NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
3814 | 1e8e | 4837 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H1 ASP 1 -8.268 0.991 16.855 2 H2 ASP 1 H2 ASP 1 -9.497 1.819 16.116 3 H3 ASP 1 H3 ASP 1 -9.497 0.163 16.116 4 HA ASP 1 HA ASP 1 -8.789 0.447 14.118 5 1HB ASP 1 1HB ASP 1 -6.953 2.757 14.740 6 2HB ASP 1 2HB ASP 1 -7.810 2.402 13.253 7 H VAL 2 H VAL 2 -6.530 0.104 13.024 8 HA VAL 2 HA VAL 2 -4.363 -0.493 13.068 9 HB VAL 2 HB VAL 2 -4.372 -0.540 16.076 10 1HG1 VAL 2 1HG1 VAL 2 -2.428 -1.497 14.901 11 2HG1 VAL 2 2HG1 VAL 2 -2.192 0.045 14.043 12 3HG1 VAL 2 3HG1 VAL 2 -1.995 -0.030 15.811 13 1HG2 VAL 2 1HG2 VAL 2 -4.851 1.758 14.387 14 2HG2 VAL 2 2HG2 VAL 2 -4.797 1.649 16.163 15 3HG2 VAL 2 3HG2 VAL 2 -3.299 1.929 15.242 16 H THR 3 H THR 3 -6.610 -1.922 15.491 17 HA THR 3 HA THR 3 -5.603 -4.366 15.914 18 HB THR 3 HB THR 3 -8.464 -3.516 15.234 19 HG1 THR 3 HG1 THR 3 -6.938 -4.110 17.671 20 1HG2 THR 3 1HG2 THR 3 -7.698 -6.153 15.341 21 2HG2 THR 3 2HG2 THR 3 -7.901 -5.811 17.076 22 3HG2 THR 3 3HG2 THR 3 -9.263 -5.570 15.957 23 H ASN 4 H ASN 4 -7.228 -3.323 12.868 24 HA ASN 4 HA ASN 4 -6.919 -5.898 11.742 25 1HB ASN 4 1HB ASN 4 -7.273 -3.423 10.037 26 2HB ASN 4 2HB ASN 4 -8.033 -4.992 9.863 27 1HD2 ASN 4 2HD2 ASN 4 -8.724 -5.270 12.653 28 2HD2 ASN 4 1HD2 ASN 4 -10.058 -4.215 12.981 29 H ALA 5 H ALA 5 -5.371 -2.629 11.364 30 HA ALA 5 HA ALA 5 -3.606 -3.171 9.352 31 1HB ALA 5 1HB ALA 5 -2.487 -1.558 11.555 32 2HB ALA 5 2HB ALA 5 -4.140 -1.088 11.089 33 3HB ALA 5 3HB ALA 5 -2.843 -1.103 9.871 34 H GLU 6 H GLU 6 -3.197 -3.735 12.910 35 HA GLU 6 HA GLU 6 -0.620 -4.750 12.656 36 1HB GLU 6 1HB GLU 6 -1.278 -4.015 14.816 37 2HB GLU 6 2HB GLU 6 -2.771 -4.932 14.782 38 1HG GLU 6 1HG GLU 6 -1.078 -5.993 16.271 39 2HG GLU 6 2HG GLU 6 -1.532 -7.055 14.953 40 H LYS 7 H LYS 7 -3.864 -6.201 12.355 41 HA LYS 7 HA LYS 7 -3.059 -8.880 12.558 42 1HB LYS 7 1HB LYS 7 -5.400 -7.913 12.751 43 2HB LYS 7 2HB LYS 7 -5.422 -7.801 11.003 44 1HG LYS 7 1HG LYS 7 -6.296 -9.927 11.178 45 2HG LYS 7 2HG LYS 7 -4.602 -10.374 11.213 46 1HD LYS 7 1HD LYS 7 -4.732 -11.096 13.370 47 2HD LYS 7 2HD LYS 7 -5.546 -9.635 13.892 48 1HE LYS 7 1HE LYS 7 -7.402 -10.929 14.155 49 2HE LYS 7 2HE LYS 7 -7.533 -10.911 12.408 50 1HZ LYS 7 1HZ LYS 7 -5.797 -12.839 12.691 51 2HZ LYS 7 2HZ LYS 7 -6.540 -12.997 14.137 52 3HZ LYS 7 3HZ LYS 7 -7.406 -13.112 12.757 53 H LEU 8 H LEU 8 -3.522 -6.674 9.721 54 HA LEU 8 HA LEU 8 -2.955 -8.491 7.744 55 1HB LEU 8 1HB LEU 8 -2.427 -5.528 7.944 56 2HB LEU 8 2HB LEU 8 -2.166 -6.449 6.475 57 HG LEU 8 HG LEU 8 -4.737 -5.722 7.835 58 1HD1 LEU 8 1HD1 LEU 8 -3.818 -4.339 6.000 59 2HD1 LEU 8 2HD1 LEU 8 -3.919 -5.748 4.917 60 3HD1 LEU 8 3HD1 LEU 8 -5.403 -5.050 5.612 61 1HD2 LEU 8 1HD2 LEU 8 -4.273 -8.185 6.160 62 2HD2 LEU 8 2HD2 LEU 8 -5.124 -8.026 7.715 63 3HD2 LEU 8 3HD2 LEU 8 -5.858 -7.378 6.229 64 H VAL 9 H VAL 9 -0.655 -6.365 9.575 65 HA VAL 9 HA VAL 9 1.648 -7.182 8.309 66 HB VAL 9 HB VAL 9 1.174 -6.368 11.183 67 1HG1 VAL 9 1HG1 VAL 9 3.380 -7.547 10.702 68 2HG1 VAL 9 2HG1 VAL 9 3.780 -6.167 9.652 69 3HG1 VAL 9 3HG1 VAL 9 3.494 -5.910 11.390 70 1HG2 VAL 9 1HG2 VAL 9 1.942 -4.745 8.733 71 2HG2 VAL 9 2HG2 VAL 9 0.382 -4.701 9.589 72 3HG2 VAL 9 3HG2 VAL 9 1.859 -4.125 10.399 73 H TYR 10 H TYR 10 0.055 -8.511 11.224 74 HA TYR 10 HA TYR 10 1.915 -10.693 11.505 75 1HB TYR 10 1HB TYR 10 0.216 -9.520 13.179 76 2HB TYR 10 2HB TYR 10 -0.878 -10.783 12.590 77 HD1 TYR 10 HD1 TYR 10 -0.478 -13.133 13.090 78 HD2 TYR 10 HD2 TYR 10 2.190 -10.077 14.503 79 HE1 TYR 10 HE1 TYR 10 0.544 -14.753 14.666 80 HE2 TYR 10 HE2 TYR 10 3.212 -11.697 16.078 81 HH TYR 10 HH TYR 10 3.438 -14.054 16.498 82 H LYS 11 H LYS 11 -0.512 -10.065 9.176 83 HA LYS 11 HA LYS 11 -1.165 -12.896 8.918 84 1HB LYS 11 1HB LYS 11 -2.974 -11.170 8.897 85 2HB LYS 11 2HB LYS 11 -2.289 -10.507 7.427 86 1HG LYS 11 1HG LYS 11 -3.949 -11.988 6.620 87 2HG LYS 11 2HG LYS 11 -2.475 -12.922 6.458 88 1HD LYS 11 1HD LYS 11 -3.314 -14.524 7.822 89 2HD LYS 11 2HD LYS 11 -3.467 -13.361 9.123 90 1HE LYS 11 1HE LYS 11 -5.676 -12.604 8.021 91 2HE LYS 11 2HE LYS 11 -5.537 -14.004 6.976 92 1HZ LYS 11 1HZ LYS 11 -5.169 -14.600 9.741 93 2HZ LYS 11 2HZ LYS 11 -6.654 -14.012 9.399 94 3HZ LYS 11 3HZ LYS 11 -6.106 -15.346 8.631 95 H TYR 12 H TYR 12 -0.441 -10.249 6.618 96 HA TYR 12 HA TYR 12 0.509 -11.822 4.531 97 1HB TYR 12 1HB TYR 12 1.270 -9.031 5.438 98 2HB TYR 12 2HB TYR 12 1.821 -9.739 3.910 99 HD1 TYR 12 HD1 TYR 12 0.206 -10.243 2.104 100 HD2 TYR 12 HD2 TYR 12 -0.992 -8.259 5.721 101 HE1 TYR 12 HE1 TYR 12 -1.895 -9.511 1.007 102 HE2 TYR 12 HE2 TYR 12 -3.092 -7.528 4.625 103 HH TYR 12 HH TYR 12 -4.514 -8.679 2.286 104 H THR 13 H THR 13 2.066 -11.070 7.627 105 HA THR 13 HA THR 13 4.708 -11.650 6.689 106 HB THR 13 HB THR 13 3.400 -11.340 9.438 107 HG1 THR 13 HG1 THR 13 5.130 -9.831 7.613 108 1HG2 THR 13 1HG2 THR 13 5.763 -12.690 9.094 109 2HG2 THR 13 2HG2 THR 13 6.355 -11.012 9.044 110 3HG2 THR 13 3HG2 THR 13 5.464 -11.599 10.469 111 H ASN 14 H ASN 14 2.091 -13.479 8.347 112 HA ASN 14 HA ASN 14 3.642 -15.725 8.822 113 1HB ASN 14 1HB ASN 14 0.880 -14.918 9.095 114 2HB ASN 14 2HB ASN 14 0.888 -16.474 8.288 115 1HD2 ASN 14 2HD2 ASN 14 0.374 -17.902 9.776 116 2HD2 ASN 14 1HD2 ASN 14 1.142 -18.124 11.313 117 H ILE 15 H ILE 15 1.253 -14.895 6.197 118 HA ILE 15 HA ILE 15 1.426 -17.207 4.735 119 HB ILE 15 HB ILE 15 0.809 -14.354 4.095 120 1HG1 ILE 15 1HG1 ILE 15 -1.082 -16.516 3.444 121 2HG1 ILE 15 2HG1 ILE 15 -0.655 -16.436 5.141 122 1HG2 ILE 15 1HG2 ILE 15 1.524 -16.461 2.138 123 2HG2 ILE 15 2HG2 ILE 15 0.036 -15.543 1.805 124 3HG2 ILE 15 3HG2 ILE 15 1.584 -14.687 2.001 125 1HD1 ILE 15 1HD1 ILE 15 -1.111 -13.753 4.043 126 2HD1 ILE 15 2HD1 ILE 15 -2.525 -14.810 3.814 127 3HD1 ILE 15 3HD1 ILE 15 -1.869 -14.542 5.447 128 H ALA 16 H ALA 16 3.459 -14.216 4.459 129 HA ALA 16 HA ALA 16 5.050 -15.087 2.379 130 1HB ALA 16 1HB ALA 16 5.106 -13.034 4.496 131 2HB ALA 16 2HB ALA 16 6.722 -13.542 3.952 132 3HB ALA 16 3HB ALA 16 5.544 -12.913 2.775 133 H HIS 17 H HIS 17 5.668 -15.325 5.957 134 HA HIS 17 HA HIS 17 8.018 -16.733 5.761 135 1HB HIS 17 1HB HIS 17 7.259 -15.708 7.817 136 2HB HIS 17 2HB HIS 17 5.868 -16.771 7.894 137 HD1 HIS 17 HD1 HIS 17 9.684 -16.963 8.065 138 HD2 HIS 17 HD2 HIS 17 6.292 -19.124 9.259 139 HE1 HIS 17 HE1 HIS 17 10.531 -18.870 9.533 140 H SER 18 H SER 18 4.638 -17.802 5.427 141 HA SER 18 HA SER 18 5.225 -20.534 5.686 142 1HB SER 18 1HB SER 18 2.957 -19.611 6.026 143 2HB SER 18 2HB SER 18 2.885 -19.103 4.350 144 HG SER 18 HG SER 18 2.242 -21.065 3.811 145 H ALA 19 H ALA 19 5.810 -18.187 3.218 146 HA ALA 19 HA ALA 19 5.966 -20.275 1.164 147 1HB ALA 19 1HB ALA 19 4.692 -17.903 1.028 148 2HB ALA 19 2HB ALA 19 6.313 -17.377 0.515 149 3HB ALA 19 3HB ALA 19 5.466 -18.657 -0.386 150 H ASN 20 H ASN 20 7.760 -17.742 2.962 151 HA ASN 20 HA ASN 20 10.184 -19.021 2.000 152 1HB ASN 20 1HB ASN 20 9.327 -16.305 1.440 153 2HB ASN 20 2HB ASN 20 10.721 -16.223 2.499 154 1HD2 ASN 20 2HD2 ASN 20 12.206 -18.366 1.820 155 2HD2 ASN 20 1HD2 ASN 20 12.766 -18.269 0.184 156 HA PRO 21 HA PRO 21 10.030 -19.271 6.579 157 1HB PRO 21 1HB PRO 21 12.630 -20.655 5.891 158 2HB PRO 21 2HB PRO 21 11.278 -21.166 6.953 159 1HG PRO 21 1HG PRO 21 11.679 -22.098 4.661 160 2HG PRO 21 2HG PRO 21 9.950 -22.125 5.138 161 1HD PRO 21 1HD PRO 21 11.337 -20.482 3.092 162 2HD PRO 21 2HD PRO 21 9.580 -20.662 3.382 163 H MET 22 H MET 22 12.438 -17.953 4.304 164 HA MET 22 HA MET 22 14.213 -17.021 6.237 165 1HB MET 22 1HB MET 22 13.542 -15.902 3.458 166 2HB MET 22 2HB MET 22 15.004 -15.541 4.354 167 1HG MET 22 1HG MET 22 14.567 -18.445 4.135 168 2HG MET 22 2HG MET 22 14.625 -17.685 2.557 169 1HE MET 22 1HE MET 22 16.599 -17.054 1.380 170 2HE MET 22 2HE MET 22 18.218 -17.569 1.911 171 3HE MET 22 3HE MET 22 16.905 -18.763 1.772 172 H TYR 23 H TYR 23 11.379 -15.589 4.627 173 HA TYR 23 HA TYR 23 11.646 -13.019 5.934 174 1HB TYR 23 1HB TYR 23 10.524 -13.563 3.695 175 2HB TYR 23 2HB TYR 23 9.169 -14.192 4.648 176 HD1 TYR 23 HD1 TYR 23 7.700 -12.709 5.883 177 HD2 TYR 23 HD2 TYR 23 11.045 -11.167 3.673 178 HE1 TYR 23 HE1 TYR 23 6.774 -10.417 6.082 179 HE2 TYR 23 HE2 TYR 23 10.120 -8.875 3.872 180 HH TYR 23 HH TYR 23 8.198 -7.643 4.417 181 H GLU 24 H GLU 24 11.175 -12.618 8.074 182 HA GLU 24 HA GLU 24 9.128 -14.351 9.227 183 1HB GLU 24 1HB GLU 24 11.558 -13.116 10.598 184 2HB GLU 24 2HB GLU 24 10.309 -14.032 11.419 185 1HG GLU 24 1HG GLU 24 11.206 -15.576 9.144 186 2HG GLU 24 2HG GLU 24 12.621 -15.031 10.022 187 H ALA 25 H ALA 25 10.660 -11.081 9.206 188 HA ALA 25 HA ALA 25 8.057 -10.004 10.020 189 1HB ALA 25 1HB ALA 25 10.664 -9.813 11.398 190 2HB ALA 25 2HB ALA 25 9.019 -9.523 12.015 191 3HB ALA 25 3HB ALA 25 9.873 -8.243 11.120 192 HA PRO 26 HA PRO 26 8.911 -7.138 6.772 193 1HB PRO 26 1HB PRO 26 7.185 -5.153 7.321 194 2HB PRO 26 2HB PRO 26 6.585 -6.830 7.107 195 1HG PRO 26 1HG PRO 26 7.009 -5.423 9.791 196 2HG PRO 26 2HG PRO 26 5.725 -6.538 9.220 197 1HD PRO 26 1HD PRO 26 8.100 -7.202 10.713 198 2HD PRO 26 2HD PRO 26 6.978 -8.354 9.925 199 H SER 27 H SER 27 9.013 -4.362 6.704 200 HA SER 27 HA SER 27 10.692 -3.517 8.871 201 1HB SER 27 1HB SER 27 12.309 -4.611 7.355 202 2HB SER 27 2HB SER 27 11.724 -3.661 6.003 203 HG SER 27 HG SER 27 13.662 -2.743 6.903 204 H ILE 28 H ILE 28 11.472 -1.092 8.292 205 HA ILE 28 HA ILE 28 9.235 0.194 6.886 206 HB ILE 28 HB ILE 28 9.387 2.014 8.516 207 1HG1 ILE 28 1HG1 ILE 28 11.050 0.310 10.339 208 2HG1 ILE 28 2HG1 ILE 28 11.853 1.272 9.113 209 1HG2 ILE 28 1HG2 ILE 28 7.961 -0.203 8.731 210 2HG2 ILE 28 2HG2 ILE 28 8.974 -0.436 10.177 211 3HG2 ILE 28 3HG2 ILE 28 7.973 1.028 10.017 212 1HD1 ILE 28 1HD1 ILE 28 10.136 3.154 10.080 213 2HD1 ILE 28 2HD1 ILE 28 10.344 2.155 11.538 214 3HD1 ILE 28 3HD1 ILE 28 11.763 2.887 10.751 215 H THR 29 H THR 29 11.842 -0.733 5.833 216 HA THR 29 HA THR 29 12.828 1.902 4.995 217 HB THR 29 HB THR 29 14.446 -0.507 5.965 218 HG1 THR 29 HG1 THR 29 15.182 1.304 7.390 219 1HG2 THR 29 1HG2 THR 29 15.326 2.096 4.612 220 2HG2 THR 29 2HG2 THR 29 16.422 1.033 5.526 221 3HG2 THR 29 3HG2 THR 29 15.646 0.443 4.037 222 H ASP 30 H ASP 30 11.141 -0.707 4.088 223 HA ASP 30 HA ASP 30 12.541 -0.895 1.540 224 1HB ASP 30 1HB ASP 30 11.057 -2.822 3.234 225 2HB ASP 30 2HB ASP 30 10.561 -2.872 1.554 226 H GLY 31 H GLY 31 9.609 0.009 3.295 227 1HA GLY 31 1HA GLY 31 7.539 0.662 2.619 228 2HA GLY 31 2HA GLY 31 7.871 0.081 1.000 229 H LYS 32 H LYS 32 10.027 1.457 0.079 230 HA LYS 32 HA LYS 32 9.003 4.183 0.058 231 1HB LYS 32 1HB LYS 32 11.508 3.352 1.312 232 2HB LYS 32 2HB LYS 32 11.769 4.535 0.046 233 1HG LYS 32 1HG LYS 32 9.682 4.871 2.249 234 2HG LYS 32 2HG LYS 32 11.309 5.511 2.360 235 1HD LYS 32 1HD LYS 32 10.619 7.351 1.232 236 2HD LYS 32 2HD LYS 32 10.368 6.349 -0.184 237 1HE LYS 32 1HE LYS 32 8.088 6.343 0.066 238 2HE LYS 32 2HE LYS 32 8.179 6.111 1.801 239 1HZ LYS 32 1HZ LYS 32 9.090 8.675 0.951 240 2HZ LYS 32 2HZ LYS 32 7.521 8.401 0.592 241 3HZ LYS 32 3HZ LYS 32 8.036 8.285 2.137 242 H ILE 33 H ILE 33 11.818 2.252 -1.201 243 HA ILE 33 HA ILE 33 11.769 3.473 -3.706 244 HB ILE 33 HB ILE 33 12.882 0.837 -2.751 245 1HG1 ILE 33 1HG1 ILE 33 14.472 3.291 -3.446 246 2HG1 ILE 33 2HG1 ILE 33 13.678 3.185 -1.887 247 1HG2 ILE 33 1HG2 ILE 33 12.383 0.988 -5.262 248 2HG2 ILE 33 2HG2 ILE 33 13.676 2.211 -5.315 249 3HG2 ILE 33 3HG2 ILE 33 14.037 0.556 -4.766 250 1HD1 ILE 33 1HD1 ILE 33 14.817 0.705 -1.971 251 2HD1 ILE 33 2HD1 ILE 33 15.987 1.619 -2.953 252 3HD1 ILE 33 3HD1 ILE 33 15.632 2.132 -1.286 253 H PHE 34 H PHE 34 10.371 0.331 -2.557 254 HA PHE 34 HA PHE 34 9.337 -0.502 -4.957 255 1HB PHE 34 1HB PHE 34 9.341 -1.900 -2.946 256 2HB PHE 34 2HB PHE 34 8.468 -0.692 -2.024 257 HD1 PHE 34 HD1 PHE 34 6.258 -1.143 -1.585 258 HD2 PHE 34 HD2 PHE 34 7.969 -2.695 -5.144 259 HE1 PHE 34 HE1 PHE 34 4.095 -2.296 -2.122 260 HE2 PHE 34 HE2 PHE 34 5.806 -3.849 -5.681 261 HZ PHE 34 HZ PHE 34 3.894 -3.635 -4.163 262 H PHE 35 H PHE 35 8.360 2.193 -2.943 263 HA PHE 35 HA PHE 35 5.835 2.364 -4.425 264 1HB PHE 35 1HB PHE 35 5.683 2.323 -1.934 265 2HB PHE 35 2HB PHE 35 6.908 3.570 -1.807 266 HD1 PHE 35 HD1 PHE 35 3.474 2.955 -3.091 267 HD2 PHE 35 HD2 PHE 35 6.292 5.822 -1.732 268 HE1 PHE 35 HE1 PHE 35 1.684 4.714 -3.089 269 HE2 PHE 35 HE2 PHE 35 4.502 7.582 -1.731 270 HZ PHE 35 HZ PHE 35 2.219 7.007 -2.410 271 H ASN 36 H ASN 36 8.930 3.319 -4.807 272 HA ASN 36 HA ASN 36 8.061 5.831 -5.965 273 1HB ASN 36 1HB ASN 36 10.523 5.415 -4.194 274 2HB ASN 36 2HB ASN 36 10.328 6.816 -5.227 275 1HD2 ASN 36 2HD2 ASN 36 10.644 7.343 -2.686 276 2HD2 ASN 36 1HD2 ASN 36 9.181 7.826 -1.894 277 H ARG 37 H ARG 37 8.766 2.958 -6.832 278 HA ARG 37 HA ARG 37 11.152 3.544 -8.377 279 1HB ARG 37 1HB ARG 37 10.963 1.417 -6.913 280 2HB ARG 37 2HB ARG 37 9.773 0.836 -8.060 281 1HG ARG 37 1HG ARG 37 11.384 0.220 -9.537 282 2HG ARG 37 2HG ARG 37 12.116 1.811 -9.495 283 1HD ARG 37 1HD ARG 37 13.855 0.489 -8.634 284 2HD ARG 37 2HD ARG 37 13.085 1.036 -7.158 285 HE ARG 37 HE ARG 37 12.292 -1.149 -6.762 286 1HH1 ARG 37 1HH1 ARG 37 12.234 -3.403 -7.132 287 2HH1 ARG 37 2HH1 ARG 37 12.765 -4.045 -8.651 288 1HH2 ARG 37 1HH2 ARG 37 13.580 -0.908 -10.028 289 2HH2 ARG 37 2HH2 ARG 37 13.536 -2.616 -10.309 290 H LYS 38 H LYS 38 10.557 4.508 -10.315 291 HA LYS 38 HA LYS 38 8.078 4.239 -11.516 292 1HB LYS 38 1HB LYS 38 9.482 6.101 -12.029 293 2HB LYS 38 2HB LYS 38 10.784 5.069 -12.585 294 1HG LYS 38 1HG LYS 38 9.928 5.275 -14.677 295 2HG LYS 38 2HG LYS 38 8.601 4.255 -14.157 296 1HD LYS 38 1HD LYS 38 7.648 6.288 -15.085 297 2HD LYS 38 2HD LYS 38 7.379 6.318 -13.354 298 1HE LYS 38 1HE LYS 38 8.187 8.522 -14.185 299 2HE LYS 38 2HE LYS 38 9.309 7.825 -13.032 300 1HZ LYS 38 1HZ LYS 38 9.850 7.030 -15.704 301 2HZ LYS 38 2HZ LYS 38 9.929 8.649 -15.513 302 3HZ LYS 38 3HZ LYS 38 10.855 7.671 -14.589 303 H PHE 39 H PHE 39 7.290 2.159 -11.769 304 HA PHE 39 HA PHE 39 8.997 0.292 -13.224 305 1HB PHE 39 1HB PHE 39 7.150 -1.308 -12.449 306 2HB PHE 39 2HB PHE 39 7.970 -0.506 -11.125 307 HD1 PHE 39 HD1 PHE 39 4.907 -0.390 -13.210 308 HD2 PHE 39 HD2 PHE 39 6.773 0.824 -9.597 309 HE1 PHE 39 HE1 PHE 39 2.703 0.451 -12.354 310 HE2 PHE 39 HE2 PHE 39 4.568 1.665 -8.741 311 HZ PHE 39 HZ PHE 39 2.559 1.469 -10.130 312 H LYS 40 H LYS 40 7.843 -1.140 -14.878 313 HA LYS 40 HA LYS 40 6.079 0.579 -16.469 314 1HB LYS 40 1HB LYS 40 8.467 -0.444 -17.200 315 2HB LYS 40 2HB LYS 40 7.434 -1.772 -17.690 316 1HG LYS 40 1HG LYS 40 5.958 0.293 -18.677 317 2HG LYS 40 2HG LYS 40 7.542 1.040 -18.737 318 1HD LYS 40 1HD LYS 40 8.042 -0.133 -20.609 319 2HD LYS 40 2HD LYS 40 7.845 -1.638 -19.733 320 1HE LYS 40 1HE LYS 40 5.304 -1.386 -20.122 321 2HE LYS 40 2HE LYS 40 5.688 -0.078 -21.224 322 1HZ LYS 40 1HZ LYS 40 7.263 -1.818 -22.236 323 2HZ LYS 40 2HZ LYS 40 6.309 -2.908 -21.482 324 3HZ LYS 40 3HZ LYS 40 5.669 -1.888 -22.584 325 H THR 41 H THR 41 4.174 -0.310 -17.423 326 HA THR 41 HA THR 41 3.224 -2.686 -15.978 327 HB THR 41 HB THR 41 1.005 -1.723 -16.316 328 HG1 THR 41 HG1 THR 41 0.998 0.302 -17.676 329 1HG2 THR 41 1HG2 THR 41 3.131 -0.139 -15.111 330 2HG2 THR 41 2HG2 THR 41 1.980 0.944 -15.932 331 3HG2 THR 41 3HG2 THR 41 1.405 -0.182 -14.679 332 HA PRO 42 HA PRO 42 3.113 -5.217 -19.487 333 1HB PRO 42 1HB PRO 42 0.771 -6.611 -19.047 334 2HB PRO 42 2HB PRO 42 2.255 -6.837 -18.065 335 1HG PRO 42 1HG PRO 42 -0.268 -5.080 -16.939 336 2HG PRO 42 2HG PRO 42 0.867 -6.446 -16.690 337 1HD PRO 42 1HD PRO 42 1.324 -3.645 -16.160 338 2HD PRO 42 2HD PRO 42 2.546 -4.953 -16.133 339 H SER 43 H SER 43 0.902 -2.629 -18.954 340 HA SER 43 HA SER 43 -0.423 -3.201 -21.477 341 1HB SER 43 1HB SER 43 -2.253 -2.041 -20.702 342 2HB SER 43 2HB SER 43 -1.578 -2.493 -19.149 343 HG SER 43 HG SER 43 -0.917 -0.444 -18.770 344 H GLY 44 H GLY 44 2.367 -2.380 -21.414 345 1HA GLY 44 1HA GLY 44 2.559 -0.541 -23.379 346 2HA GLY 44 2HA GLY 44 3.789 -0.785 -22.155 347 H LYS 45 H LYS 45 3.654 0.494 -20.108 348 HA LYS 45 HA LYS 45 3.402 3.166 -20.549 349 1HB LYS 45 1HB LYS 45 1.120 3.243 -20.880 350 2HB LYS 45 2HB LYS 45 0.791 1.922 -19.777 351 1HG LYS 45 1HG LYS 45 1.037 3.294 -17.849 352 2HG LYS 45 2HG LYS 45 1.957 4.511 -18.711 353 1HD LYS 45 1HD LYS 45 0.065 5.650 -19.227 354 2HD LYS 45 2HD LYS 45 -0.625 4.235 -19.998 355 1HE LYS 45 1HE LYS 45 -2.164 4.304 -18.308 356 2HE LYS 45 2HE LYS 45 -0.911 3.558 -17.335 357 1HZ LYS 45 1HZ LYS 45 -0.512 6.329 -17.449 358 2HZ LYS 45 2HZ LYS 45 -2.041 6.022 -16.963 359 3HZ LYS 45 3HZ LYS 45 -0.780 5.387 -16.142 360 H GLU 46 H GLU 46 4.685 4.031 -19.005 361 HA GLU 46 HA GLU 46 5.320 2.385 -16.769 362 1HB GLU 46 1HB GLU 46 7.041 4.057 -16.299 363 2HB GLU 46 2HB GLU 46 7.049 3.683 -18.011 364 1HG GLU 46 1HG GLU 46 5.322 5.973 -17.073 365 2HG GLU 46 2HG GLU 46 7.056 6.221 -17.125 366 H ALA 47 H ALA 47 5.225 3.132 -14.491 367 HA ALA 47 HA ALA 47 3.656 5.418 -13.849 368 1HB ALA 47 1HB ALA 47 2.371 2.756 -14.125 369 2HB ALA 47 2HB ALA 47 1.652 4.384 -14.162 370 3HB ALA 47 3HB ALA 47 2.025 3.611 -12.603 371 H ALA 48 H ALA 48 3.088 5.186 -11.304 372 HA ALA 48 HA ALA 48 4.997 3.548 -9.907 373 1HB ALA 48 1HB ALA 48 5.476 6.419 -10.500 374 2HB ALA 48 2HB ALA 48 6.627 5.130 -10.072 375 3HB ALA 48 3HB ALA 48 5.692 5.946 -8.797 376 H CYS 49 H CYS 49 4.567 3.523 -7.591 377 HA CYS 49 HA CYS 49 1.838 3.772 -7.037 378 1HB CYS 49 1HB CYS 49 4.126 3.488 -5.079 379 2HB CYS 49 2HB CYS 49 2.434 3.163 -4.757 380 H ALA 50 H ALA 50 4.379 6.068 -7.250 381 HA ALA 50 HA ALA 50 3.073 7.875 -5.350 382 1HB ALA 50 1HB ALA 50 5.383 7.732 -4.879 383 2HB ALA 50 2HB ALA 50 5.233 9.222 -5.842 384 3HB ALA 50 3HB ALA 50 5.826 7.726 -6.603 385 H SER 51 H SER 51 2.600 6.935 -8.426 386 HA SER 51 HA SER 51 2.760 9.427 -9.756 387 1HB SER 51 1HB SER 51 1.680 8.255 -11.618 388 2HB SER 51 2HB SER 51 2.945 7.249 -10.941 389 HG SER 51 HG SER 51 0.227 6.989 -10.030 390 H CYS 52 H CYS 52 0.369 7.664 -7.819 391 HA CYS 52 HA CYS 52 -1.557 9.794 -8.408 392 1HB CYS 52 1HB CYS 52 -2.139 6.928 -7.591 393 2HB CYS 52 2HB CYS 52 -3.340 8.185 -7.808 394 H HIS 53 H HIS 53 -0.191 7.525 -6.047 395 HA HIS 53 HA HIS 53 -1.330 8.986 -3.750 396 1HB HIS 53 1HB HIS 53 0.588 6.593 -3.852 397 2HB HIS 53 2HB HIS 53 -0.341 7.197 -2.414 398 HD1 HIS 53 HD1 HIS 53 -3.082 7.249 -3.102 399 HD2 HIS 53 HD2 HIS 53 -0.600 4.367 -4.834 400 HE1 HIS 53 HE1 HIS 53 -4.628 5.333 -3.864 401 H THR 54 H THR 54 0.867 10.024 -5.793 402 HA THR 54 HA THR 54 2.752 11.219 -5.719 403 HB THR 54 HB THR 54 2.786 12.864 -3.804 404 HG1 THR 54 HG1 THR 54 2.085 11.618 -2.048 405 1HG2 THR 54 1HG2 THR 54 0.375 12.250 -5.430 406 2HG2 THR 54 2HG2 THR 54 0.010 13.112 -3.916 407 3HG2 THR 54 3HG2 THR 54 1.138 13.823 -5.096 408 H ASN 55 H ASN 55 4.837 11.770 -4.395 409 HA ASN 55 HA ASN 55 6.166 9.439 -4.041 410 1HB ASN 55 1HB ASN 55 7.882 10.852 -2.806 411 2HB ASN 55 2HB ASN 55 7.357 11.557 -4.322 412 1HD2 ASN 55 2HD2 ASN 55 6.220 13.425 -4.369 413 2HD2 ASN 55 1HD2 ASN 55 5.888 14.414 -2.986 414 H ASN 56 H ASN 56 4.018 11.198 -1.861 415 HA ASN 56 HA ASN 56 4.645 9.245 0.205 416 1HB ASN 56 1HB ASN 56 5.293 11.860 0.522 417 2HB ASN 56 2HB ASN 56 3.606 11.976 0.981 418 1HD2 ASN 56 2HD2 ASN 56 3.821 12.324 3.106 419 2HD2 ASN 56 1HD2 ASN 56 4.505 11.212 4.244 420 HA PRO 57 HA PRO 57 0.263 8.537 -0.386 421 1HB PRO 57 1HB PRO 57 -0.024 6.644 1.577 422 2HB PRO 57 2HB PRO 57 0.854 6.323 0.046 423 1HG PRO 57 1HG PRO 57 2.148 6.990 2.745 424 2HG PRO 57 2HG PRO 57 2.401 5.742 1.482 425 1HD PRO 57 1HD PRO 57 3.797 8.169 1.639 426 2HD PRO 57 2HD PRO 57 3.536 7.268 0.115 427 H ALA 58 H ALA 58 1.723 9.107 2.908 428 HA ALA 58 HA ALA 58 -0.647 9.710 4.204 429 1HB ALA 58 1HB ALA 58 2.246 10.047 4.607 430 2HB ALA 58 2HB ALA 58 1.283 11.334 5.373 431 3HB ALA 58 3HB ALA 58 0.973 9.628 5.778 432 H ASN 59 H ASN 59 0.981 11.367 1.635 433 HA ASN 59 HA ASN 59 -0.087 13.921 2.375 434 1HB ASN 59 1HB ASN 59 2.151 13.306 1.029 435 2HB ASN 59 2HB ASN 59 1.078 13.294 -0.356 436 1HD2 ASN 59 2HD2 ASN 59 3.207 15.075 0.017 437 2HD2 ASN 59 1HD2 ASN 59 2.598 16.691 0.152 438 H VAL 60 H VAL 60 -1.167 15.105 0.238 439 HA VAL 60 HA VAL 60 -3.523 13.557 -0.303 440 HB VAL 60 HB VAL 60 -2.606 16.349 -0.991 441 1HG1 VAL 60 1HG1 VAL 60 -4.744 14.763 -2.194 442 2HG1 VAL 60 2HG1 VAL 60 -5.351 16.254 -1.436 443 3HG1 VAL 60 3HG1 VAL 60 -4.079 16.341 -2.678 444 1HG2 VAL 60 1HG2 VAL 60 -3.386 15.521 1.394 445 2HG2 VAL 60 2HG2 VAL 60 -3.923 17.091 0.749 446 3HG2 VAL 60 3HG2 VAL 60 -5.008 15.681 0.678 447 H GLY 61 H GLY 61 -3.781 12.198 -1.992 448 1HA GLY 61 1HA GLY 61 -3.093 11.012 -3.821 449 2HA GLY 61 2HA GLY 61 -1.761 12.124 -4.066 450 H LYS 62 H LYS 62 -3.178 11.303 -6.290 451 HA LYS 62 HA LYS 62 -5.364 12.988 -6.889 452 1HB LYS 62 1HB LYS 62 -4.027 14.859 -7.061 453 2HB LYS 62 2HB LYS 62 -2.618 13.957 -7.580 454 1HG LYS 62 1HG LYS 62 -4.817 13.652 -9.499 455 2HG LYS 62 2HG LYS 62 -4.452 15.345 -9.233 456 1HD LYS 62 1HD LYS 62 -2.275 13.290 -9.809 457 2HD LYS 62 2HD LYS 62 -3.113 14.143 -11.090 458 1HE LYS 62 1HE LYS 62 -2.444 16.276 -9.531 459 2HE LYS 62 2HE LYS 62 -1.144 15.191 -9.079 460 1HZ LYS 62 1HZ LYS 62 -1.471 15.085 -11.839 461 2HZ LYS 62 2HZ LYS 62 -1.385 16.657 -11.404 462 3HZ LYS 62 3HZ LYS 62 -0.185 15.629 -10.993 463 H ASN 63 H ASN 63 -6.535 11.780 -8.273 464 HA ASN 63 HA ASN 63 -5.304 9.559 -9.507 465 1HB ASN 63 1HB ASN 63 -8.100 10.775 -9.578 466 2HB ASN 63 2HB ASN 63 -7.693 9.418 -10.610 467 1HD2 ASN 63 2HD2 ASN 63 -9.657 9.068 -8.863 468 2HD2 ASN 63 1HD2 ASN 63 -9.200 8.047 -7.541 469 H ILE 64 H ILE 64 -4.543 9.428 -11.649 470 HA ILE 64 HA ILE 64 -4.603 11.871 -13.193 471 HB ILE 64 HB ILE 64 -2.900 10.917 -14.486 472 1HG1 ILE 64 1HG1 ILE 64 -3.619 8.220 -13.301 473 2HG1 ILE 64 2HG1 ILE 64 -3.945 8.749 -14.939 474 1HG2 ILE 64 1HG2 ILE 64 -2.669 11.174 -11.745 475 2HG2 ILE 64 2HG2 ILE 64 -1.949 9.578 -12.070 476 3HG2 ILE 64 3HG2 ILE 64 -1.329 11.022 -12.907 477 1HD1 ILE 64 1HD1 ILE 64 -1.466 9.073 -15.291 478 2HD1 ILE 64 2HD1 ILE 64 -1.193 8.396 -13.668 479 3HD1 ILE 64 3HD1 ILE 64 -1.918 7.387 -14.943 480 H VAL 65 H VAL 65 -6.913 9.713 -12.644 481 HA VAL 65 HA VAL 65 -7.545 9.105 -15.415 482 HB VAL 65 HB VAL 65 -8.759 8.349 -12.757 483 1HG1 VAL 65 1HG1 VAL 65 -10.471 8.675 -14.609 484 2HG1 VAL 65 2HG1 VAL 65 -9.673 7.330 -15.459 485 3HG1 VAL 65 3HG1 VAL 65 -10.418 7.058 -13.866 486 1HG2 VAL 65 1HG2 VAL 65 -6.552 7.324 -13.859 487 2HG2 VAL 65 2HG2 VAL 65 -7.724 6.321 -12.970 488 3HG2 VAL 65 3HG2 VAL 65 -7.757 6.363 -14.750 489 H THR 66 H THR 66 -9.067 10.751 -12.552 490 HA THR 66 HA THR 66 -10.679 12.287 -14.477 491 HB THR 66 HB THR 66 -12.257 12.530 -12.574 492 HG1 THR 66 HG1 THR 66 -11.567 11.602 -10.548 493 1HG2 THR 66 1HG2 THR 66 -11.752 10.097 -13.859 494 2HG2 THR 66 2HG2 THR 66 -11.623 9.665 -12.137 495 3HG2 THR 66 3HG2 THR 66 -13.117 10.406 -12.760 496 H GLY 67 H GLY 67 -8.345 12.452 -11.797 497 1HA GLY 67 1HA GLY 67 -7.654 15.135 -12.556 498 2HA GLY 67 2HA GLY 67 -6.939 14.159 -11.288 499 H LYS 68 H LYS 68 -9.442 13.516 -9.880 500 HA LYS 68 HA LYS 68 -10.612 16.054 -9.191 501 1HB LYS 68 1HB LYS 68 -11.102 13.179 -8.477 502 2HB LYS 68 2HB LYS 68 -11.752 14.439 -7.446 503 1HG LYS 68 1HG LYS 68 -12.338 15.309 -10.075 504 2HG LYS 68 2HG LYS 68 -12.637 13.583 -10.111 505 1HD LYS 68 1HD LYS 68 -13.703 15.210 -7.792 506 2HD LYS 68 2HD LYS 68 -14.545 15.266 -9.328 507 1HE LYS 68 1HE LYS 68 -13.945 12.501 -8.781 508 2HE LYS 68 2HE LYS 68 -14.615 13.189 -7.314 509 1HZ LYS 68 1HZ LYS 68 -16.390 14.119 -8.793 510 2HZ LYS 68 2HZ LYS 68 -15.832 13.143 -9.977 511 3HZ LYS 68 3HZ LYS 68 -16.412 12.499 -8.593 512 H GLU 69 H GLU 69 -9.810 13.648 -6.701 513 HA GLU 69 HA GLU 69 -7.471 14.789 -5.803 514 1HB GLU 69 1HB GLU 69 -8.109 16.235 -4.014 515 2HB GLU 69 2HB GLU 69 -9.056 16.758 -5.393 516 1HG GLU 69 1HG GLU 69 -10.971 15.317 -4.560 517 2HG GLU 69 2HG GLU 69 -10.023 14.943 -3.134 518 H ILE 70 H ILE 70 -6.565 13.178 -4.592 519 HA ILE 70 HA ILE 70 -8.435 11.375 -3.221 520 HB ILE 70 HB ILE 70 -5.688 10.727 -4.290 521 1HG1 ILE 70 1HG1 ILE 70 -7.653 11.346 -5.953 522 2HG1 ILE 70 2HG1 ILE 70 -6.554 10.019 -6.274 523 1HG2 ILE 70 1HG2 ILE 70 -7.843 9.154 -2.911 524 2HG2 ILE 70 2HG2 ILE 70 -6.743 8.356 -4.060 525 3HG2 ILE 70 3HG2 ILE 70 -6.086 9.177 -2.623 526 1HD1 ILE 70 1HD1 ILE 70 -8.930 9.319 -4.606 527 2HD1 ILE 70 2HD1 ILE 70 -9.272 9.761 -6.296 528 3HD1 ILE 70 3HD1 ILE 70 -8.166 8.414 -5.934 529 HA PRO 71 HA PRO 71 -6.707 13.627 0.276 530 1HB PRO 71 1HB PRO 71 -8.473 11.559 1.593 531 2HB PRO 71 2HB PRO 71 -8.375 13.334 1.829 532 1HG PRO 71 1HG PRO 71 -10.231 12.183 0.563 533 2HG PRO 71 2HG PRO 71 -9.887 13.851 -0.002 534 1HD PRO 71 1HD PRO 71 -9.367 11.233 -1.321 535 2HD PRO 71 2HD PRO 71 -9.303 12.878 -2.023 536 HA PRO 72 HA PRO 72 -3.394 11.288 1.928 537 1HB PRO 72 1HB PRO 72 -4.954 10.949 4.508 538 2HB PRO 72 2HB PRO 72 -3.270 11.500 4.224 539 1HG PRO 72 1HG PRO 72 -5.375 13.326 4.710 540 2HG PRO 72 2HG PRO 72 -3.818 13.433 3.826 541 1HD PRO 72 1HD PRO 72 -6.649 13.316 2.799 542 2HD PRO 72 2HD PRO 72 -5.189 13.998 2.021 543 H LEU 73 H LEU 73 -2.894 9.119 1.552 544 HA LEU 73 HA LEU 73 -5.145 7.297 1.465 545 1HB LEU 73 1HB LEU 73 -3.849 7.177 -0.450 546 2HB LEU 73 2HB LEU 73 -2.337 7.302 0.428 547 HG LEU 73 HG LEU 73 -3.128 4.958 1.422 548 1HD1 LEU 73 1HD1 LEU 73 -4.869 5.400 -0.928 549 2HD1 LEU 73 2HD1 LEU 73 -4.062 3.815 -0.846 550 3HD1 LEU 73 3HD1 LEU 73 -5.094 4.359 0.498 551 1HD2 LEU 73 1HD2 LEU 73 -1.758 5.495 -1.216 552 2HD2 LEU 73 2HD2 LEU 73 -1.026 5.171 0.373 553 3HD2 LEU 73 3HD2 LEU 73 -1.872 3.870 -0.499 554 H ALA 74 H ALA 74 -2.275 8.050 3.411 555 HA ALA 74 HA ALA 74 -1.701 5.810 4.730 556 1HB ALA 74 1HB ALA 74 -0.553 7.738 5.391 557 2HB ALA 74 2HB ALA 74 -2.051 8.665 5.645 558 3HB ALA 74 3HB ALA 74 -1.576 7.406 6.809 559 HA PRO 75 HA PRO 75 -5.876 4.541 5.885 560 1HB PRO 75 1HB PRO 75 -4.350 2.035 6.500 561 2HB PRO 75 2HB PRO 75 -5.761 2.309 5.426 562 1HG PRO 75 1HG PRO 75 -3.263 1.825 4.422 563 2HG PRO 75 2HG PRO 75 -4.503 2.859 3.641 564 1HD PRO 75 1HD PRO 75 -2.099 3.621 5.365 565 2HD PRO 75 2HD PRO 75 -2.710 4.402 3.874 566 H ARG 76 H ARG 76 -2.802 4.733 7.624 567 HA ARG 76 HA ARG 76 -4.126 4.022 10.081 568 1HB ARG 76 1HB ARG 76 -1.684 3.354 9.368 569 2HB ARG 76 2HB ARG 76 -1.251 4.992 9.816 570 1HG ARG 76 1HG ARG 76 -2.721 4.247 12.023 571 2HG ARG 76 2HG ARG 76 -2.049 2.697 11.553 572 1HD ARG 76 1HD ARG 76 0.217 4.144 11.339 573 2HD ARG 76 2HD ARG 76 -0.616 5.188 12.474 574 HE ARG 76 HE ARG 76 -0.960 2.655 13.559 575 1HH1 ARG 76 1HH1 ARG 76 0.450 1.688 15.075 576 2HH1 ARG 76 2HH1 ARG 76 2.112 2.171 15.143 577 1HH2 ARG 76 1HH2 ARG 76 1.838 4.534 12.545 578 2HH2 ARG 76 2HH2 ARG 76 2.906 3.801 13.695 579 H VAL 77 H VAL 77 -2.586 6.805 8.390 580 HA VAL 77 HA VAL 77 -2.664 8.612 10.509 581 HB VAL 77 HB VAL 77 -2.705 8.899 7.508 582 1HG1 VAL 77 1HG1 VAL 77 -2.579 11.087 9.606 583 2HG1 VAL 77 2HG1 VAL 77 -2.104 11.307 7.905 584 3HG1 VAL 77 3HG1 VAL 77 -3.785 10.887 8.312 585 1HG2 VAL 77 1HG2 VAL 77 -0.669 7.967 8.617 586 2HG2 VAL 77 2HG2 VAL 77 -0.380 9.500 7.760 587 3HG2 VAL 77 3HG2 VAL 77 -0.522 9.485 9.534 588 H ASN 78 H ASN 78 -5.113 7.632 8.066 589 HA ASN 78 HA ASN 78 -6.945 9.553 9.184 590 1HB ASN 78 1HB ASN 78 -7.595 7.484 7.040 591 2HB ASN 78 2HB ASN 78 -8.363 9.038 7.300 592 1HD2 ASN 78 2HD2 ASN 78 -7.721 8.710 4.852 593 2HD2 ASN 78 1HD2 ASN 78 -6.276 9.530 4.361 594 H THR 79 H THR 79 -8.708 8.934 10.521 595 HA THR 79 HA THR 79 -8.629 6.235 11.553 596 HB THR 79 HB THR 79 -10.408 7.273 13.099 597 HG1 THR 79 HG1 THR 79 -10.939 9.411 12.593 598 1HG2 THR 79 1HG2 THR 79 -7.655 8.510 12.714 599 2HG2 THR 79 2HG2 THR 79 -8.771 9.173 13.932 600 3HG2 THR 79 3HG2 THR 79 -8.232 7.481 14.046 601 H LYS 80 H LYS 80 -10.048 7.708 8.874 602 HA LYS 80 HA LYS 80 -12.345 5.888 9.018 603 1HB LYS 80 1HB LYS 80 -12.041 8.644 8.160 604 2HB LYS 80 2HB LYS 80 -12.678 7.659 6.858 605 1HG LYS 80 1HG LYS 80 -13.878 7.117 9.538 606 2HG LYS 80 2HG LYS 80 -14.203 8.716 8.897 607 1HD LYS 80 1HD LYS 80 -15.937 7.634 7.839 608 2HD LYS 80 2HD LYS 80 -14.702 7.269 6.651 609 1HE LYS 80 1HE LYS 80 -15.069 5.061 7.021 610 2HE LYS 80 2HE LYS 80 -14.408 5.259 8.632 611 1HZ LYS 80 1HZ LYS 80 -17.219 5.781 7.958 612 2HZ LYS 80 2HZ LYS 80 -16.677 4.371 8.578 613 3HZ LYS 80 3HZ LYS 80 -16.563 5.745 9.453 614 H ARG 81 H ARG 81 -9.861 4.712 8.573 615 HA ARG 81 HA ARG 81 -10.268 3.871 5.849 616 1HB ARG 81 1HB ARG 81 -7.621 4.904 6.965 617 2HB ARG 81 2HB ARG 81 -7.686 3.863 5.556 618 1HG ARG 81 1HG ARG 81 -9.437 6.329 5.622 619 2HG ARG 81 2HG ARG 81 -7.726 6.521 5.297 620 1HD ARG 81 1HD ARG 81 -8.070 4.614 3.516 621 2HD ARG 81 2HD ARG 81 -9.779 4.966 3.682 622 HE ARG 81 HE ARG 81 -7.729 6.725 2.492 623 1HH1 ARG 81 1HH1 ARG 81 -8.476 8.578 1.383 624 2HH1 ARG 81 2HH1 ARG 81 -10.128 9.075 1.544 625 1HH2 ARG 81 1HH2 ARG 81 -11.013 6.455 3.726 626 2HH2 ARG 81 2HH2 ARG 81 -11.580 7.860 2.886 627 H PHE 82 H PHE 82 -8.654 1.857 5.441 628 HA PHE 82 HA PHE 82 -8.521 -0.306 6.008 629 1HB PHE 82 1HB PHE 82 -6.806 1.447 7.753 630 2HB PHE 82 2HB PHE 82 -6.947 -0.207 8.315 631 HD1 PHE 82 HD1 PHE 82 -4.507 -0.432 7.961 632 HD2 PHE 82 HD2 PHE 82 -7.155 0.348 4.737 633 HE1 PHE 82 HE1 PHE 82 -2.732 -1.136 6.332 634 HE2 PHE 82 HE2 PHE 82 -5.379 -0.357 3.109 635 HZ PHE 82 HZ PHE 82 -3.189 -1.090 3.925 636 H THR 83 H THR 83 -10.976 -0.089 6.674 637 HA THR 83 HA THR 83 -11.252 -0.597 9.553 638 HB THR 83 HB THR 83 -13.399 -0.017 7.451 639 HG1 THR 83 HG1 THR 83 -12.146 1.860 7.541 640 1HG2 THR 83 1HG2 THR 83 -13.421 -0.571 10.321 641 2HG2 THR 83 2HG2 THR 83 -13.954 1.100 10.017 642 3HG2 THR 83 3HG2 THR 83 -14.800 -0.259 9.240 643 H ASP 84 H ASP 84 -12.702 -1.823 6.456 644 HA ASP 84 HA ASP 84 -13.292 -4.276 7.745 645 1HB ASP 84 1HB ASP 84 -14.639 -3.198 5.868 646 2HB ASP 84 2HB ASP 84 -13.333 -3.595 4.768 647 H ILE 85 H ILE 85 -12.334 -6.386 7.150 648 HA ILE 85 HA ILE 85 -9.640 -6.091 6.026 649 HB ILE 85 HB ILE 85 -10.799 -7.990 8.055 650 1HG1 ILE 85 1HG1 ILE 85 -8.372 -6.924 8.935 651 2HG1 ILE 85 2HG1 ILE 85 -9.164 -5.577 8.142 652 1HG2 ILE 85 1HG2 ILE 85 -8.738 -8.532 6.118 653 2HG2 ILE 85 2HG2 ILE 85 -8.045 -8.508 7.758 654 3HG2 ILE 85 3HG2 ILE 85 -9.412 -9.586 7.385 655 1HD1 ILE 85 1HD1 ILE 85 -10.640 -7.358 10.121 656 2HD1 ILE 85 2HD1 ILE 85 -9.712 -5.929 10.636 657 3HD1 ILE 85 3HD1 ILE 85 -11.104 -5.740 9.543 658 H ASP 86 H ASP 86 -12.617 -8.139 6.077 659 HA ASP 86 HA ASP 86 -11.927 -10.071 4.382 660 1HB ASP 86 1HB ASP 86 -14.145 -10.024 5.313 661 2HB ASP 86 2HB ASP 86 -14.497 -8.461 4.603 662 H LYS 87 H LYS 87 -13.670 -7.046 3.303 663 HA LYS 87 HA LYS 87 -13.255 -7.383 0.607 664 1HB LYS 87 1HB LYS 87 -14.106 -5.235 2.414 665 2HB LYS 87 2HB LYS 87 -13.316 -4.637 0.969 666 1HG LYS 87 1HG LYS 87 -15.543 -4.835 0.245 667 2HG LYS 87 2HG LYS 87 -14.853 -6.346 -0.313 668 1HD LYS 87 1HD LYS 87 -15.610 -7.196 2.124 669 2HD LYS 87 2HD LYS 87 -16.730 -5.855 1.998 670 1HE LYS 87 1HE LYS 87 -17.976 -7.602 1.037 671 2HE LYS 87 2HE LYS 87 -17.290 -6.837 -0.383 672 1HZ LYS 87 1HZ LYS 87 -15.827 -8.989 0.928 673 2HZ LYS 87 2HZ LYS 87 -17.066 -9.351 -0.073 674 3HZ LYS 87 3HZ LYS 87 -15.779 -8.517 -0.634 675 H VAL 88 H VAL 88 -11.379 -5.156 2.790 676 HA VAL 88 HA VAL 88 -9.463 -4.362 1.099 677 HB VAL 88 HB VAL 88 -9.799 -4.655 3.937 678 1HG1 VAL 88 1HG1 VAL 88 -7.025 -5.230 2.864 679 2HG1 VAL 88 2HG1 VAL 88 -7.323 -4.599 4.501 680 3HG1 VAL 88 3HG1 VAL 88 -7.979 -6.183 4.026 681 1HG2 VAL 88 1HG2 VAL 88 -9.701 -2.552 2.558 682 2HG2 VAL 88 2HG2 VAL 88 -8.672 -2.540 4.010 683 3HG2 VAL 88 3HG2 VAL 88 -7.946 -2.805 2.407 684 H GLU 89 H GLU 89 -9.925 -7.628 2.405 685 HA GLU 89 HA GLU 89 -7.338 -8.477 1.573 686 1HB GLU 89 1HB GLU 89 -8.764 -9.420 3.518 687 2HB GLU 89 2HB GLU 89 -9.692 -10.263 2.293 688 1HG GLU 89 1HG GLU 89 -7.959 -11.716 1.768 689 2HG GLU 89 2HG GLU 89 -6.713 -10.526 2.087 690 H ASP 90 H ASP 90 -8.219 -7.311 -0.655 691 HA ASP 90 HA ASP 90 -8.191 -9.330 -2.515 692 1HB ASP 90 1HB ASP 90 -10.624 -9.515 -1.598 693 2HB ASP 90 2HB ASP 90 -10.922 -7.986 -2.401 694 H GLU 91 H GLU 91 -9.711 -6.103 -1.783 695 HA GLU 91 HA GLU 91 -9.449 -4.997 -4.264 696 1HB GLU 91 1HB GLU 91 -9.480 -3.834 -1.467 697 2HB GLU 91 2HB GLU 91 -9.274 -2.779 -2.850 698 1HG GLU 91 1HG GLU 91 -11.496 -4.784 -3.044 699 2HG GLU 91 2HG GLU 91 -11.716 -3.503 -1.869 700 H PHE 92 H PHE 92 -6.984 -5.861 -1.961 701 HA PHE 92 HA PHE 92 -5.061 -3.962 -2.927 702 1HB PHE 92 1HB PHE 92 -5.484 -5.800 -0.734 703 2HB PHE 92 2HB PHE 92 -4.017 -6.329 -1.533 704 HD1 PHE 92 HD1 PHE 92 -2.758 -3.838 -2.362 705 HD2 PHE 92 HD2 PHE 92 -4.852 -4.736 1.218 706 HE1 PHE 92 HE1 PHE 92 -1.461 -2.059 -1.157 707 HE2 PHE 92 HE2 PHE 92 -3.555 -2.957 2.423 708 HZ PHE 92 HZ PHE 92 -1.875 -1.640 1.221 709 H THR 93 H THR 93 -6.058 -7.314 -3.592 710 HA THR 93 HA THR 93 -3.677 -7.833 -5.161 711 HB THR 93 HB THR 93 -6.102 -9.342 -4.169 712 HG1 THR 93 HG1 THR 93 -3.190 -9.567 -4.398 713 1HG2 THR 93 1HG2 THR 93 -4.254 -10.236 -6.445 714 2HG2 THR 93 2HG2 THR 93 -5.352 -11.310 -5.545 715 3HG2 THR 93 3HG2 THR 93 -6.015 -10.009 -6.563 716 H LYS 94 H LYS 94 -7.100 -6.928 -5.643 717 HA LYS 94 HA LYS 94 -7.060 -7.383 -8.431 718 1HB LYS 94 1HB LYS 94 -8.871 -5.587 -6.791 719 2HB LYS 94 2HB LYS 94 -9.172 -6.152 -8.422 720 1HG LYS 94 1HG LYS 94 -8.554 -8.284 -6.415 721 2HG LYS 94 2HG LYS 94 -10.070 -7.438 -6.173 722 1HD LYS 94 1HD LYS 94 -10.981 -8.783 -7.757 723 2HD LYS 94 2HD LYS 94 -10.019 -7.928 -8.946 724 1HE LYS 94 1HE LYS 94 -8.442 -9.622 -9.105 725 2HE LYS 94 2HE LYS 94 -8.580 -10.062 -7.415 726 1HZ LYS 94 1HZ LYS 94 -10.837 -10.929 -8.036 727 2HZ LYS 94 2HZ LYS 94 -10.389 -10.783 -9.599 728 3HZ LYS 94 3HZ LYS 94 -9.562 -11.777 -8.602 729 H HIS 95 H HIS 95 -6.103 -4.797 -6.306 730 HA HIS 95 HA HIS 95 -5.948 -2.681 -8.247 731 1HB HIS 95 1HB HIS 95 -6.062 -2.510 -5.716 732 2HB HIS 95 2HB HIS 95 -4.319 -3.021 -5.673 733 HD1 HIS 95 HD1 HIS 95 -4.864 -0.860 -8.482 734 HD2 HIS 95 HD2 HIS 95 -4.199 -0.317 -4.392 735 HE1 HIS 95 HE1 HIS 95 -4.082 1.580 -8.199 736 H CYS 96 H CYS 96 -3.360 -4.734 -6.778 737 HA CYS 96 HA CYS 96 -1.251 -3.875 -8.422 738 1HB CYS 96 1HB CYS 96 -1.859 -6.331 -6.799 739 2HB CYS 96 2HB CYS 96 -0.459 -6.358 -7.901 740 H ASN 97 H ASN 97 -4.033 -5.943 -9.161 741 HA ASN 97 HA ASN 97 -2.711 -7.138 -11.382 742 1HB ASN 97 1HB ASN 97 -5.252 -7.431 -9.947 743 2HB ASN 97 2HB ASN 97 -5.544 -7.387 -11.674 744 1HD2 ASN 97 2HD2 ASN 97 -4.750 -9.290 -9.078 745 2HD2 ASN 97 1HD2 ASN 97 -4.107 -10.684 -9.881 746 H ASP 98 H ASP 98 -4.209 -4.126 -10.644 747 HA ASP 98 HA ASP 98 -4.791 -3.686 -13.467 748 1HB ASP 98 1HB ASP 98 -6.236 -3.027 -11.008 749 2HB ASP 98 2HB ASP 98 -5.890 -1.567 -11.914 750 H ILE 99 H ILE 99 -2.381 -3.345 -11.294 751 HA ILE 99 HA ILE 99 -1.686 -0.642 -12.212 752 HB ILE 99 HB ILE 99 -1.105 -1.930 -9.543 753 1HG1 ILE 99 1HG1 ILE 99 -3.437 -1.071 -9.907 754 2HG1 ILE 99 2HG1 ILE 99 -2.566 -0.326 -8.581 755 1HG2 ILE 99 1HG2 ILE 99 -0.197 0.722 -10.692 756 2HG2 ILE 99 2HG2 ILE 99 -0.071 0.261 -8.977 757 3HG2 ILE 99 3HG2 ILE 99 0.821 -0.657 -10.214 758 1HD1 ILE 99 1HD1 ILE 99 -2.596 0.904 -11.365 759 2HD1 ILE 99 2HD1 ILE 99 -3.847 1.265 -10.151 760 3HD1 ILE 99 3HD1 ILE 99 -2.147 1.680 -9.828 761 H LEU 100 H LEU 100 -0.412 -3.830 -11.040 762 HA LEU 100 HA LEU 100 2.003 -3.315 -12.599 763 1HB LEU 100 1HB LEU 100 1.325 -5.291 -10.425 764 2HB LEU 100 2HB LEU 100 2.794 -5.390 -11.376 765 HG LEU 100 HG LEU 100 1.983 -3.072 -9.598 766 1HD1 LEU 100 1HD1 LEU 100 2.788 -5.393 -8.641 767 2HD1 LEU 100 2HD1 LEU 100 4.391 -4.779 -9.110 768 3HD1 LEU 100 3HD1 LEU 100 3.385 -3.858 -7.966 769 1HD2 LEU 100 1HD2 LEU 100 3.889 -3.228 -11.766 770 2HD2 LEU 100 2HD2 LEU 100 3.395 -1.832 -10.779 771 3HD2 LEU 100 3HD2 LEU 100 4.710 -2.893 -10.222 772 H GLY 101 H GLY 101 -0.954 -5.253 -12.462 773 1HA GLY 101 1HA GLY 101 -0.166 -6.478 -15.027 774 2HA GLY 101 2HA GLY 101 -1.802 -6.147 -14.494 775 H ALA 102 H ALA 102 -0.596 -7.127 -11.657 776 HA ALA 102 HA ALA 102 -1.719 -9.713 -11.858 777 1HB ALA 102 1HB ALA 102 1.273 -9.400 -12.012 778 2HB ALA 102 2HB ALA 102 0.585 -10.777 -11.118 779 3HB ALA 102 3HB ALA 102 0.210 -10.560 -12.844 780 H ASP 103 H ASP 103 -0.715 -10.942 -9.621 781 HA ASP 103 HA ASP 103 -1.579 -9.086 -7.620 782 1HB ASP 103 1HB ASP 103 -2.218 -11.605 -7.851 783 2HB ASP 103 2HB ASP 103 -0.632 -11.947 -7.189 784 H CYS 104 H CYS 104 -0.196 -8.029 -6.280 785 HA CYS 104 HA CYS 104 2.625 -8.105 -6.630 786 1HB CYS 104 1HB CYS 104 0.784 -6.930 -4.524 787 2HB CYS 104 2HB CYS 104 2.555 -6.749 -4.444 788 H SER 105 H SER 105 4.280 -8.690 -4.912 789 HA SER 105 HA SER 105 3.798 -11.312 -4.079 790 1HB SER 105 1HB SER 105 6.003 -9.543 -2.975 791 2HB SER 105 2HB SER 105 6.040 -11.273 -3.252 792 HG SER 105 HG SER 105 6.153 -9.141 -5.184 793 HA PRO 106 HA PRO 106 1.950 -10.820 -0.122 794 1HB PRO 106 1HB PRO 106 3.057 -12.977 1.205 795 2HB PRO 106 2HB PRO 106 1.828 -13.135 -0.092 796 1HG PRO 106 1HG PRO 106 4.984 -13.678 -0.615 797 2HG PRO 106 2HG PRO 106 3.316 -14.325 -0.760 798 1HD PRO 106 1HD PRO 106 4.686 -12.588 -2.598 799 2HD PRO 106 2HD PRO 106 2.938 -12.974 -2.604 800 H SER 107 H SER 107 5.495 -10.886 -0.533 801 HA SER 107 HA SER 107 5.850 -9.986 2.175 802 1HB SER 107 1HB SER 107 7.480 -11.268 0.170 803 2HB SER 107 2HB SER 107 8.267 -9.771 0.628 804 HG SER 107 HG SER 107 8.985 -11.339 2.079 805 H GLU 108 H GLU 108 4.994 -8.643 -0.816 806 HA GLU 108 HA GLU 108 6.446 -6.188 -0.350 807 1HB GLU 108 1HB GLU 108 4.604 -7.007 -2.640 808 2HB GLU 108 2HB GLU 108 5.518 -5.513 -2.571 809 1HG GLU 108 1HG GLU 108 7.062 -8.060 -2.162 810 2HG GLU 108 2HG GLU 108 6.460 -7.756 -3.780 811 H LYS 109 H LYS 109 3.459 -7.677 0.440 812 HA LYS 109 HA LYS 109 1.957 -5.204 0.461 813 1HB LYS 109 1HB LYS 109 1.016 -7.477 -0.188 814 2HB LYS 109 2HB LYS 109 1.116 -7.918 1.505 815 1HG LYS 109 1HG LYS 109 -1.001 -7.034 1.597 816 2HG LYS 109 2HG LYS 109 -0.147 -5.512 1.757 817 1HD LYS 109 1HD LYS 109 -1.773 -5.197 0.005 818 2HD LYS 109 2HD LYS 109 -0.210 -5.291 -0.783 819 1HE LYS 109 1HE LYS 109 -0.745 -7.879 -0.974 820 2HE LYS 109 2HE LYS 109 -2.402 -7.386 -0.685 821 1HZ LYS 109 1HZ LYS 109 -1.732 -5.658 -2.536 822 2HZ LYS 109 2HZ LYS 109 -0.724 -6.868 -2.968 823 3HZ LYS 109 3HZ LYS 109 -2.333 -7.133 -2.896 824 H ALA 110 H ALA 110 2.966 -7.710 2.899 825 HA ALA 110 HA ALA 110 2.238 -6.297 5.137 826 1HB ALA 110 1HB ALA 110 4.712 -7.757 5.555 827 2HB ALA 110 2HB ALA 110 3.626 -8.673 4.482 828 3HB ALA 110 3HB ALA 110 3.062 -8.159 6.090 829 H ASN 111 H ASN 111 4.866 -5.740 2.866 830 HA ASN 111 HA ASN 111 6.496 -4.300 4.630 831 1HB ASN 111 1HB ASN 111 7.115 -5.316 2.328 832 2HB ASN 111 2HB ASN 111 6.308 -3.942 1.598 833 1HD2 ASN 111 2HD2 ASN 111 6.989 -1.770 2.386 834 2HD2 ASN 111 1HD2 ASN 111 8.674 -1.488 2.672 835 H PHE 112 H PHE 112 4.199 -3.348 1.960 836 HA PHE 112 HA PHE 112 4.386 -0.609 2.343 837 1HB PHE 112 1HB PHE 112 3.350 -1.959 0.417 838 2HB PHE 112 2HB PHE 112 2.006 -2.354 1.469 839 HD1 PHE 112 HD1 PHE 112 0.095 -1.118 1.164 840 HD2 PHE 112 HD2 PHE 112 3.837 0.719 0.370 841 HE1 PHE 112 HE1 PHE 112 -1.086 0.975 0.441 842 HE2 PHE 112 HE2 PHE 112 2.656 2.812 -0.352 843 HZ PHE 112 HZ PHE 112 0.209 2.915 -0.309 844 H ILE 113 H ILE 113 2.107 -3.047 3.746 845 HA ILE 113 HA ILE 113 0.444 -1.263 5.046 846 HB ILE 113 HB ILE 113 1.187 -4.129 5.369 847 1HG1 ILE 113 1HG1 ILE 113 -1.633 -3.410 5.320 848 2HG1 ILE 113 2HG1 ILE 113 -0.769 -2.683 3.980 849 1HG2 ILE 113 1HG2 ILE 113 1.062 -3.291 7.684 850 2HG2 ILE 113 2HG2 ILE 113 -0.567 -2.655 7.354 851 3HG2 ILE 113 3HG2 ILE 113 -0.266 -4.409 7.291 852 1HD1 ILE 113 1HD1 ILE 113 0.308 -5.041 3.642 853 2HD1 ILE 113 2HD1 ILE 113 -1.007 -5.623 4.691 854 3HD1 ILE 113 3HD1 ILE 113 -1.389 -4.815 3.151 855 H ALA 114 H ALA 114 3.678 -2.522 5.903 856 HA ALA 114 HA ALA 114 3.649 -1.640 8.571 857 1HB ALA 114 1HB ALA 114 5.631 -2.706 8.562 858 2HB ALA 114 2HB ALA 114 5.350 -3.062 6.841 859 3HB ALA 114 3HB ALA 114 6.279 -1.618 7.311 860 H TYR 115 H TYR 115 5.421 -0.293 5.757 861 HA TYR 115 HA TYR 115 6.154 2.142 6.880 862 1HB TYR 115 1HB TYR 115 6.254 0.902 4.374 863 2HB TYR 115 2HB TYR 115 5.353 2.400 4.086 864 HD1 TYR 115 HD1 TYR 115 6.391 4.607 4.810 865 HD2 TYR 115 HD2 TYR 115 8.597 0.924 4.656 866 HE1 TYR 115 HE1 TYR 115 8.518 5.882 4.785 867 HE2 TYR 115 HE2 TYR 115 10.724 2.200 4.631 868 HH TYR 115 HH TYR 115 10.819 5.741 4.960 869 H LEU 116 H LEU 116 2.980 1.156 5.482 870 HA LEU 116 HA LEU 116 1.970 3.805 5.449 871 1HB LEU 116 1HB LEU 116 0.986 1.070 4.949 872 2HB LEU 116 2HB LEU 116 -0.225 2.199 5.524 873 HG LEU 116 HG LEU 116 1.457 2.404 3.020 874 1HD1 LEU 116 1HD1 LEU 116 -1.518 2.159 3.525 875 2HD1 LEU 116 2HD1 LEU 116 -0.798 2.529 1.939 876 3HD1 LEU 116 3HD1 LEU 116 -0.442 0.979 2.739 877 1HD2 LEU 116 1HD2 LEU 116 0.314 4.553 4.620 878 2HD2 LEU 116 2HD2 LEU 116 1.426 4.620 3.231 879 3HD2 LEU 116 3HD2 LEU 116 -0.331 4.526 2.961 880 H LEU 117 H LEU 117 2.079 1.130 7.825 881 HA LEU 117 HA LEU 117 0.513 2.759 9.671 882 1HB LEU 117 1HB LEU 117 0.101 0.827 10.880 883 2HB LEU 117 2HB LEU 117 0.002 0.327 9.203 884 HG LEU 117 HG LEU 117 2.602 -0.252 9.690 885 1HD1 LEU 117 1HD1 LEU 117 1.440 0.185 12.294 886 2HD1 LEU 117 2HD1 LEU 117 1.949 -1.511 12.116 887 3HD1 LEU 117 3HD1 LEU 117 3.120 -0.198 11.846 888 1HD2 LEU 117 1HD2 LEU 117 0.421 -1.640 8.978 889 2HD2 LEU 117 2HD2 LEU 117 1.978 -2.405 9.374 890 3HD2 LEU 117 3HD2 LEU 117 0.686 -2.332 10.596 891 H THR 118 H THR 118 3.252 3.506 8.768 892 HA THR 118 HA THR 118 4.516 3.446 11.425 893 HB THR 118 HB THR 118 5.724 2.952 8.662 894 HG1 THR 118 HG1 THR 118 5.990 0.946 9.643 895 1HG2 THR 118 1HG2 THR 118 7.038 4.538 10.428 896 2HG2 THR 118 2HG2 THR 118 7.384 2.962 11.179 897 3HG2 THR 118 3HG2 THR 118 7.883 3.276 9.500 898 H GLU 119 H GLU 119 4.970 5.060 8.205 899 HA GLU 119 HA GLU 119 5.673 7.456 9.523 900 1HB GLU 119 1HB GLU 119 5.008 6.930 6.592 901 2HB GLU 119 2HB GLU 119 5.751 8.393 7.207 902 1HG GLU 119 1HG GLU 119 7.284 6.207 8.247 903 2HG GLU 119 2HG GLU 119 7.006 5.856 6.553 904 H THR 120 H THR 120 4.352 9.078 10.245 905 HA THR 120 HA THR 120 1.717 9.355 9.007 906 HB THR 120 HB THR 120 0.603 9.261 11.166 907 HG1 THR 120 HG1 THR 120 2.183 10.271 12.487 908 1HG2 THR 120 1HG2 THR 120 1.382 6.979 10.215 909 2HG2 THR 120 2HG2 THR 120 2.739 7.085 11.363 910 3HG2 THR 120 3HG2 THR 120 1.065 7.025 11.966 911 H LYS 121 H LYS 121 3.997 10.897 8.467 912 HA LYS 121 HA LYS 121 3.134 13.407 9.700 913 1HB LYS 121 1HB LYS 121 6.026 12.583 9.306 914 2HB LYS 121 2HB LYS 121 5.467 14.138 9.887 915 1HG LYS 121 1HG LYS 121 4.597 13.198 11.919 916 2HG LYS 121 2HG LYS 121 4.648 11.564 11.286 917 1HD LYS 121 1HD LYS 121 6.750 11.291 12.086 918 2HD LYS 121 2HD LYS 121 7.318 12.635 11.116 919 1HE LYS 121 1HE LYS 121 6.819 14.237 12.866 920 2HE LYS 121 2HE LYS 121 5.895 13.060 13.779 921 1HZ LYS 121 1HZ LYS 121 8.465 12.069 13.316 922 2HZ LYS 121 2HZ LYS 121 8.588 13.565 13.958 923 3HZ LYS 121 3HZ LYS 121 7.746 12.406 14.742 924 HA PRO 122 HA PRO 122 2.881 13.966 5.253 925 1HB PRO 122 1HB PRO 122 0.852 15.800 5.359 926 2HB PRO 122 2HB PRO 122 0.575 14.046 5.609 927 1HG PRO 122 1HG PRO 122 0.856 16.214 7.573 928 2HG PRO 122 2HG PRO 122 -0.334 14.872 7.588 929 1HD PRO 122 1HD PRO 122 2.002 14.914 9.111 930 2HD PRO 122 2HD PRO 122 1.235 13.402 8.535 931 H THR 123 H THR 123 3.101 16.053 3.884 932 HA THR 123 HA THR 123 5.157 17.654 5.073 933 HB THR 123 HB THR 123 3.718 17.660 2.370 934 HG1 THR 123 HG1 THR 123 5.688 16.524 1.844 935 1HG2 THR 123 1HG2 THR 123 5.568 19.605 3.541 936 2HG2 THR 123 2HG2 THR 123 6.344 18.746 2.188 937 3HG2 THR 123 3HG2 THR 123 4.814 19.618 1.928 938 H LYS 124 H LYS 124 2.057 18.633 3.458 939 HA LYS 124 HA LYS 124 1.875 20.719 5.519 940 1HB LYS 124 1HB LYS 124 1.495 20.909 2.533 941 2HB LYS 124 2HB LYS 124 0.709 22.038 3.617 942 1HG LYS 124 1HG LYS 124 3.079 22.369 4.679 943 2HG LYS 124 2HG LYS 124 3.691 21.572 3.244 944 1HD LYS 124 1HD LYS 124 2.881 23.291 1.791 945 2HD LYS 124 2HD LYS 124 1.776 23.918 2.999 946 1HE LYS 124 1HE LYS 124 3.911 24.449 4.411 947 2HE LYS 124 2HE LYS 124 4.808 24.174 2.931 948 1HZ LYS 124 1HZ LYS 124 3.266 25.822 1.900 949 2HZ LYS 124 2HZ LYS 124 2.735 26.191 3.400 950 3HZ LYS 124 3HZ LYS 124 4.301 26.435 3.005 No H/Q in entry = 950 Start of MODEL 2 1 H1 ASP 1 H1 ASP 1 -8.389 0.469 17.134 2 H2 ASP 1 H2 ASP 1 -9.192 1.736 17.835 3 H3 ASP 1 H3 ASP 1 -9.847 0.964 16.525 4 HA ASP 1 HA ASP 1 -8.996 3.022 15.925 5 1HB ASP 1 1HB ASP 1 -6.305 2.960 15.891 6 2HB ASP 1 2HB ASP 1 -7.199 3.605 17.253 7 H VAL 2 H VAL 2 -6.312 0.595 15.622 8 HA VAL 2 HA VAL 2 -7.314 -0.231 13.026 9 HB VAL 2 HB VAL 2 -5.839 1.860 12.831 10 1HG1 VAL 2 1HG1 VAL 2 -4.084 0.273 14.357 11 2HG1 VAL 2 2HG1 VAL 2 -3.381 0.334 12.722 12 3HG1 VAL 2 3HG1 VAL 2 -3.741 1.844 13.593 13 1HG2 VAL 2 1HG2 VAL 2 -5.171 -0.679 11.306 14 2HG2 VAL 2 2HG2 VAL 2 -6.436 0.509 10.909 15 3HG2 VAL 2 3HG2 VAL 2 -4.720 0.966 10.797 16 H THR 3 H THR 3 -7.443 -1.755 15.282 17 HA THR 3 HA THR 3 -5.107 -3.191 15.890 18 HB THR 3 HB THR 3 -8.090 -3.854 16.118 19 HG1 THR 3 HG1 THR 3 -7.264 -1.954 17.274 20 1HG2 THR 3 1HG2 THR 3 -5.795 -5.525 16.632 21 2HG2 THR 3 2HG2 THR 3 -6.418 -4.965 18.203 22 3HG2 THR 3 3HG2 THR 3 -7.490 -5.835 17.080 23 H ASN 4 H ASN 4 -6.947 -3.091 13.009 24 HA ASN 4 HA ASN 4 -6.587 -5.814 12.331 25 1HB ASN 4 1HB ASN 4 -6.966 -3.671 10.231 26 2HB ASN 4 2HB ASN 4 -7.705 -5.257 10.325 27 1HD2 ASN 4 2HD2 ASN 4 -8.389 -5.034 13.137 28 2HD2 ASN 4 1HD2 ASN 4 -9.747 -3.965 13.266 29 H ALA 5 H ALA 5 -5.087 -2.623 11.452 30 HA ALA 5 HA ALA 5 -3.325 -3.348 9.540 31 1HB ALA 5 1HB ALA 5 -3.041 -1.434 11.882 32 2HB ALA 5 2HB ALA 5 -1.858 -1.524 10.555 33 3HB ALA 5 3HB ALA 5 -3.543 -1.062 10.215 34 H GLU 6 H GLU 6 -2.924 -3.726 13.118 35 HA GLU 6 HA GLU 6 -0.355 -4.727 12.991 36 1HB GLU 6 1HB GLU 6 -0.922 -4.148 15.151 37 2HB GLU 6 2HB GLU 6 -2.578 -4.699 14.987 38 1HG GLU 6 1HG GLU 6 -1.231 -6.125 16.556 39 2HG GLU 6 2HG GLU 6 -1.903 -7.037 15.219 40 H LYS 7 H LYS 7 -3.568 -6.398 12.986 41 HA LYS 7 HA LYS 7 -2.570 -8.994 13.009 42 1HB LYS 7 1HB LYS 7 -4.891 -8.431 13.513 43 2HB LYS 7 2HB LYS 7 -5.150 -7.882 11.869 44 1HG LYS 7 1HG LYS 7 -5.755 -10.005 11.345 45 2HG LYS 7 2HG LYS 7 -4.075 -10.463 11.540 46 1HD LYS 7 1HD LYS 7 -4.476 -11.547 13.509 47 2HD LYS 7 2HD LYS 7 -5.458 -10.236 14.134 48 1HE LYS 7 1HE LYS 7 -7.256 -11.597 13.829 49 2HE LYS 7 2HE LYS 7 -7.074 -11.301 12.111 50 1HZ LYS 7 1HZ LYS 7 -5.751 -13.470 13.588 51 2HZ LYS 7 2HZ LYS 7 -7.065 -13.642 12.634 52 3HZ LYS 7 3HZ LYS 7 -5.633 -13.206 11.981 53 H LEU 8 H LEU 8 -3.350 -6.755 10.280 54 HA LEU 8 HA LEU 8 -2.897 -8.518 8.215 55 1HB LEU 8 1HB LEU 8 -2.509 -5.538 8.453 56 2HB LEU 8 2HB LEU 8 -2.284 -6.401 6.945 57 HG LEU 8 HG LEU 8 -4.804 -5.859 8.471 58 1HD1 LEU 8 1HD1 LEU 8 -4.062 -4.403 6.601 59 2HD1 LEU 8 2HD1 LEU 8 -4.187 -5.801 5.505 60 3HD1 LEU 8 3HD1 LEU 8 -5.642 -5.175 6.319 61 1HD2 LEU 8 1HD2 LEU 8 -4.272 -8.289 6.781 62 2HD2 LEU 8 2HD2 LEU 8 -5.130 -8.151 8.335 63 3HD2 LEU 8 3HD2 LEU 8 -5.893 -7.557 6.840 64 H VAL 9 H VAL 9 -0.541 -6.322 9.888 65 HA VAL 9 HA VAL 9 1.674 -7.062 8.404 66 HB VAL 9 HB VAL 9 1.393 -6.154 11.274 67 1HG1 VAL 9 1HG1 VAL 9 3.676 -7.248 10.087 68 2HG1 VAL 9 2HG1 VAL 9 3.915 -5.487 9.982 69 3HG1 VAL 9 3HG1 VAL 9 3.609 -6.251 11.560 70 1HG2 VAL 9 1HG2 VAL 9 0.508 -4.646 9.463 71 2HG2 VAL 9 2HG2 VAL 9 1.814 -3.943 10.447 72 3HG2 VAL 9 3HG2 VAL 9 2.163 -4.556 8.813 73 H TYR 10 H TYR 10 0.348 -8.396 11.442 74 HA TYR 10 HA TYR 10 2.331 -10.494 11.613 75 1HB TYR 10 1HB TYR 10 0.815 -9.340 13.438 76 2HB TYR 10 2HB TYR 10 -0.350 -10.590 12.969 77 HD1 TYR 10 HD1 TYR 10 0.067 -12.943 13.441 78 HD2 TYR 10 HD2 TYR 10 2.904 -9.918 14.560 79 HE1 TYR 10 HE1 TYR 10 1.220 -14.570 14.916 80 HE2 TYR 10 HE2 TYR 10 4.057 -11.545 16.035 81 HH TYR 10 HH TYR 10 2.851 -14.259 17.178 82 H LYS 11 H LYS 11 -0.218 -10.010 9.438 83 HA LYS 11 HA LYS 11 -0.841 -12.866 9.344 84 1HB LYS 11 1HB LYS 11 -2.253 -10.370 8.538 85 2HB LYS 11 2HB LYS 11 -2.497 -11.776 7.522 86 1HG LYS 11 1HG LYS 11 -2.716 -12.040 10.536 87 2HG LYS 11 2HG LYS 11 -4.061 -11.391 9.620 88 1HD LYS 11 1HD LYS 11 -2.870 -13.889 8.499 89 2HD LYS 11 2HD LYS 11 -3.638 -14.078 10.063 90 1HE LYS 11 1HE LYS 11 -5.758 -13.263 9.240 91 2HE LYS 11 2HE LYS 11 -5.036 -12.640 7.769 92 1HZ LYS 11 1HZ LYS 11 -4.359 -15.200 7.645 93 2HZ LYS 11 2HZ LYS 11 -5.794 -15.324 8.416 94 3HZ LYS 11 3HZ LYS 11 -5.709 -14.586 6.962 95 H TYR 12 H TYR 12 -0.462 -10.270 6.909 96 HA TYR 12 HA TYR 12 0.357 -11.868 4.788 97 1HB TYR 12 1HB TYR 12 1.086 -9.021 5.534 98 2HB TYR 12 2HB TYR 12 1.502 -9.757 3.977 99 HD1 TYR 12 HD1 TYR 12 -0.295 -10.428 2.391 100 HD2 TYR 12 HD2 TYR 12 -1.140 -8.275 6.011 101 HE1 TYR 12 HE1 TYR 12 -2.527 -9.812 1.503 102 HE2 TYR 12 HE2 TYR 12 -3.372 -7.660 5.124 103 HH TYR 12 HH TYR 12 -5.014 -8.964 3.042 104 H THR 13 H THR 13 2.162 -10.973 7.702 105 HA THR 13 HA THR 13 4.728 -11.463 6.526 106 HB THR 13 HB THR 13 3.680 -11.131 9.382 107 HG1 THR 13 HG1 THR 13 5.279 -9.568 7.477 108 1HG2 THR 13 1HG2 THR 13 6.546 -11.269 8.307 109 2HG2 THR 13 2HG2 THR 13 6.106 -10.667 9.923 110 3HG2 THR 13 3HG2 THR 13 5.819 -12.372 9.499 111 H ASN 14 H ASN 14 2.370 -13.347 8.485 112 HA ASN 14 HA ASN 14 4.050 -15.509 8.874 113 1HB ASN 14 1HB ASN 14 1.219 -14.848 9.243 114 2HB ASN 14 2HB ASN 14 1.373 -16.494 8.660 115 1HD2 ASN 14 2HD2 ASN 14 3.130 -17.806 9.734 116 2HD2 ASN 14 1HD2 ASN 14 3.272 -17.696 11.457 117 H ILE 15 H ILE 15 1.445 -14.830 6.421 118 HA ILE 15 HA ILE 15 1.591 -17.190 5.018 119 HB ILE 15 HB ILE 15 0.767 -14.393 4.385 120 1HG1 ILE 15 1HG1 ILE 15 -0.992 -16.728 3.915 121 2HG1 ILE 15 2HG1 ILE 15 -0.498 -16.489 5.579 122 1HG2 ILE 15 1HG2 ILE 15 1.101 -16.613 2.363 123 2HG2 ILE 15 2HG2 ILE 15 -0.026 -15.254 2.136 124 3HG2 ILE 15 3HG2 ILE 15 1.719 -14.945 2.295 125 1HD1 ILE 15 1HD1 ILE 15 -1.143 -13.970 5.171 126 2HD1 ILE 15 2HD1 ILE 15 -2.047 -14.609 3.778 127 3HD1 ILE 15 3HD1 ILE 15 -2.441 -15.162 5.424 128 H ALA 16 H ALA 16 3.535 -14.165 4.646 129 HA ALA 16 HA ALA 16 4.964 -14.996 2.406 130 1HB ALA 16 1HB ALA 16 4.751 -12.703 3.769 131 2HB ALA 16 2HB ALA 16 6.261 -13.291 4.504 132 3HB ALA 16 3HB ALA 16 6.162 -13.055 2.743 133 H HIS 17 H HIS 17 5.720 -15.264 5.946 134 HA HIS 17 HA HIS 17 8.160 -16.525 5.615 135 1HB HIS 17 1HB HIS 17 7.497 -15.537 7.710 136 2HB HIS 17 2HB HIS 17 6.135 -16.630 7.862 137 HD1 HIS 17 HD1 HIS 17 9.958 -16.746 7.817 138 HD2 HIS 17 HD2 HIS 17 6.682 -18.962 9.215 139 HE1 HIS 17 HE1 HIS 17 10.925 -18.629 9.243 140 H SER 18 H SER 18 4.823 -17.733 5.428 141 HA SER 18 HA SER 18 5.541 -20.441 5.670 142 1HB SER 18 1HB SER 18 3.261 -19.672 6.145 143 2HB SER 18 2HB SER 18 3.073 -19.079 4.507 144 HG SER 18 HG SER 18 2.099 -21.231 4.962 145 H ALA 19 H ALA 19 5.859 -18.069 3.167 146 HA ALA 19 HA ALA 19 6.002 -20.151 1.107 147 1HB ALA 19 1HB ALA 19 4.634 -17.822 1.055 148 2HB ALA 19 2HB ALA 19 6.200 -17.248 0.435 149 3HB ALA 19 3HB ALA 19 5.338 -18.560 -0.403 150 H ASN 20 H ASN 20 7.794 -17.588 2.851 151 HA ASN 20 HA ASN 20 10.208 -18.747 1.728 152 1HB ASN 20 1HB ASN 20 9.225 -15.989 1.397 153 2HB ASN 20 2HB ASN 20 10.793 -16.003 2.181 154 1HD2 ASN 20 2HD2 ASN 20 11.991 -18.207 1.113 155 2HD2 ASN 20 1HD2 ASN 20 12.263 -18.007 -0.586 156 HA PRO 21 HA PRO 21 10.301 -19.036 6.311 157 1HB PRO 21 1HB PRO 21 12.876 -20.383 5.477 158 2HB PRO 21 2HB PRO 21 11.586 -20.920 6.602 159 1HG PRO 21 1HG PRO 21 11.880 -21.842 4.273 160 2HG PRO 21 2HG PRO 21 10.184 -21.871 4.858 161 1HD PRO 21 1HD PRO 21 11.456 -20.197 2.753 162 2HD PRO 21 2HD PRO 21 9.717 -20.417 3.115 163 H MET 22 H MET 22 12.545 -17.660 3.912 164 HA MET 22 HA MET 22 14.412 -16.716 5.760 165 1HB MET 22 1HB MET 22 13.609 -15.586 3.021 166 2HB MET 22 2HB MET 22 15.121 -15.258 3.844 167 1HG MET 22 1HG MET 22 14.743 -18.136 3.698 168 2HG MET 22 2HG MET 22 14.509 -17.455 2.100 169 1HE MET 22 1HE MET 22 16.407 -18.153 4.998 170 2HE MET 22 2HE MET 22 17.900 -18.688 4.190 171 3HE MET 22 3HE MET 22 17.847 -17.106 5.003 172 H TYR 23 H TYR 23 11.469 -15.348 4.306 173 HA TYR 23 HA TYR 23 11.769 -12.755 5.561 174 1HB TYR 23 1HB TYR 23 10.519 -13.351 3.404 175 2HB TYR 23 2HB TYR 23 9.239 -13.991 4.449 176 HD1 TYR 23 HD1 TYR 23 7.774 -12.530 5.679 177 HD2 TYR 23 HD2 TYR 23 11.042 -10.934 3.395 178 HE1 TYR 23 HE1 TYR 23 6.820 -10.252 5.906 179 HE2 TYR 23 HE2 TYR 23 10.088 -8.656 3.622 180 HH TYR 23 HH TYR 23 8.142 -7.460 4.201 181 H GLU 24 H GLU 24 11.470 -12.374 7.736 182 HA GLU 24 HA GLU 24 9.519 -14.115 9.032 183 1HB GLU 24 1HB GLU 24 12.020 -12.825 10.208 184 2HB GLU 24 2HB GLU 24 10.836 -13.715 11.144 185 1HG GLU 24 1HG GLU 24 11.573 -15.330 8.860 186 2HG GLU 24 2HG GLU 24 13.045 -14.757 9.620 187 H ALA 25 H ALA 25 10.962 -10.813 8.846 188 HA ALA 25 HA ALA 25 8.406 -9.785 9.849 189 1HB ALA 25 1HB ALA 25 10.830 -8.237 10.565 190 2HB ALA 25 2HB ALA 25 9.383 -8.611 11.532 191 3HB ALA 25 3HB ALA 25 10.685 -9.815 11.376 192 HA PRO 26 HA PRO 26 8.930 -6.945 6.502 193 1HB PRO 26 1HB PRO 26 7.248 -4.958 7.194 194 2HB PRO 26 2HB PRO 26 6.647 -6.641 7.040 195 1HG PRO 26 1HG PRO 26 7.295 -5.184 9.556 196 2HG PRO 26 2HG PRO 26 5.974 -6.379 9.342 197 1HD PRO 26 1HD PRO 26 8.559 -6.849 10.481 198 2HD PRO 26 2HD PRO 26 7.405 -8.105 9.938 199 H SER 27 H SER 27 9.366 -4.430 6.047 200 HA SER 27 HA SER 27 11.087 -3.408 8.149 201 1HB SER 27 1HB SER 27 12.087 -4.627 5.824 202 2HB SER 27 2HB SER 27 12.172 -2.915 5.456 203 HG SER 27 HG SER 27 14.097 -3.385 6.493 204 H ILE 28 H ILE 28 10.968 -1.153 8.376 205 HA ILE 28 HA ILE 28 9.003 0.136 6.660 206 HB ILE 28 HB ILE 28 10.227 0.823 9.325 207 1HG1 ILE 28 1HG1 ILE 28 7.324 0.752 9.105 208 2HG1 ILE 28 2HG1 ILE 28 8.041 -0.766 8.604 209 1HG2 ILE 28 1HG2 ILE 28 8.875 2.573 7.362 210 2HG2 ILE 28 2HG2 ILE 28 8.265 2.665 9.032 211 3HG2 ILE 28 3HG2 ILE 28 9.985 2.971 8.695 212 1HD1 ILE 28 1HD1 ILE 28 9.108 0.523 11.110 213 2HD1 ILE 28 2HD1 ILE 28 7.515 -0.268 11.179 214 3HD1 ILE 28 3HD1 ILE 28 8.952 -1.203 10.703 215 H THR 29 H THR 29 11.484 -0.536 5.415 216 HA THR 29 HA THR 29 12.316 2.144 4.679 217 HB THR 29 HB THR 29 14.216 0.029 5.822 218 HG1 THR 29 HG1 THR 29 14.501 1.861 7.334 219 1HG2 THR 29 1HG2 THR 29 14.670 2.638 4.323 220 2HG2 THR 29 2HG2 THR 29 15.815 2.116 5.582 221 3HG2 THR 29 3HG2 THR 29 15.540 1.095 4.150 222 H ASP 30 H ASP 30 10.678 0.117 3.413 223 HA ASP 30 HA ASP 30 12.422 -0.314 1.132 224 1HB ASP 30 1HB ASP 30 12.258 -2.499 2.169 225 2HB ASP 30 2HB ASP 30 10.536 -2.316 2.439 226 H GLY 31 H GLY 31 9.047 -0.429 2.487 227 1HA GLY 31 1HA GLY 31 7.163 0.603 1.753 228 2HA GLY 31 2HA GLY 31 7.454 -0.387 0.338 229 H LYS 32 H LYS 32 9.507 2.346 1.485 230 HA LYS 32 HA LYS 32 8.441 4.360 -0.044 231 1HB LYS 32 1HB LYS 32 10.974 3.811 1.346 232 2HB LYS 32 2HB LYS 32 11.147 4.906 -0.010 233 1HG LYS 32 1HG LYS 32 9.021 5.239 2.156 234 2HG LYS 32 2HG LYS 32 10.586 6.025 2.213 235 1HD LYS 32 1HD LYS 32 9.634 6.595 -0.382 236 2HD LYS 32 2HD LYS 32 8.208 6.724 0.627 237 1HE LYS 32 1HE LYS 32 10.708 8.008 1.687 238 2HE LYS 32 2HE LYS 32 9.978 8.769 0.288 239 1HZ LYS 32 1HZ LYS 32 7.838 8.507 1.669 240 2HZ LYS 32 2HZ LYS 32 8.854 8.395 2.943 241 3HZ LYS 32 3HZ LYS 32 8.866 9.732 2.004 242 H ILE 33 H ILE 33 11.488 2.598 -0.942 243 HA ILE 33 HA ILE 33 11.585 3.416 -3.530 244 HB ILE 33 HB ILE 33 12.466 0.868 -2.196 245 1HG1 ILE 33 1HG1 ILE 33 14.300 2.961 -3.292 246 2HG1 ILE 33 2HG1 ILE 33 13.415 3.330 -1.824 247 1HG2 ILE 33 1HG2 ILE 33 12.895 1.722 -5.066 248 2HG2 ILE 33 2HG2 ILE 33 13.915 0.529 -4.228 249 3HG2 ILE 33 3HG2 ILE 33 12.180 0.208 -4.462 250 1HD1 ILE 33 1HD1 ILE 33 14.242 1.118 -0.860 251 2HD1 ILE 33 2HD1 ILE 33 15.286 0.969 -2.294 252 3HD1 ILE 33 3HD1 ILE 33 15.515 2.325 -1.163 253 H PHE 34 H PHE 34 10.035 0.354 -2.327 254 HA PHE 34 HA PHE 34 9.026 -0.456 -4.751 255 1HB PHE 34 1HB PHE 34 9.010 -1.859 -2.735 256 2HB PHE 34 2HB PHE 34 8.105 -0.660 -1.833 257 HD1 PHE 34 HD1 PHE 34 5.904 -1.169 -1.427 258 HD2 PHE 34 HD2 PHE 34 7.687 -2.617 -4.995 259 HE1 PHE 34 HE1 PHE 34 3.763 -2.337 -2.023 260 HE2 PHE 34 HE2 PHE 34 5.546 -3.785 -5.591 261 HZ PHE 34 HZ PHE 34 3.610 -3.631 -4.098 262 H PHE 35 H PHE 35 8.130 2.294 -2.824 263 HA PHE 35 HA PHE 35 5.583 2.472 -4.270 264 1HB PHE 35 1HB PHE 35 5.454 2.461 -1.771 265 2HB PHE 35 2HB PHE 35 6.683 3.707 -1.676 266 HD1 PHE 35 HD1 PHE 35 3.245 3.085 -2.951 267 HD2 PHE 35 HD2 PHE 35 6.066 5.956 -1.608 268 HE1 PHE 35 HE1 PHE 35 1.458 4.848 -2.968 269 HE2 PHE 35 HE2 PHE 35 4.280 7.719 -1.625 270 HZ PHE 35 HZ PHE 35 1.997 7.144 -2.304 271 H ASN 36 H ASN 36 8.716 3.399 -4.607 272 HA ASN 36 HA ASN 36 7.879 5.883 -5.845 273 1HB ASN 36 1HB ASN 36 10.316 5.510 -4.029 274 2HB ASN 36 2HB ASN 36 10.105 6.903 -5.070 275 1HD2 ASN 36 2HD2 ASN 36 10.389 7.494 -2.559 276 2HD2 ASN 36 1HD2 ASN 36 8.913 7.939 -1.771 277 H ARG 37 H ARG 37 8.568 3.011 -6.665 278 HA ARG 37 HA ARG 37 11.022 3.527 -8.123 279 1HB ARG 37 1HB ARG 37 10.727 1.411 -6.674 280 2HB ARG 37 2HB ARG 37 9.543 0.867 -7.845 281 1HG ARG 37 1HG ARG 37 11.191 0.109 -9.201 282 2HG ARG 37 2HG ARG 37 11.871 1.721 -9.311 283 1HD ARG 37 1HD ARG 37 13.056 1.301 -7.093 284 2HD ARG 37 2HD ARG 37 12.476 -0.351 -7.147 285 HE ARG 37 HE ARG 37 14.021 -0.837 -8.858 286 1HH1 ARG 37 1HH1 ARG 37 15.840 -0.387 -10.165 287 2HH1 ARG 37 2HH1 ARG 37 16.368 1.249 -10.380 288 1HH2 ARG 37 1HH2 ARG 37 13.850 2.640 -8.348 289 2HH2 ARG 37 2HH2 ARG 37 15.229 2.982 -9.339 290 H LYS 38 H LYS 38 10.400 4.637 -10.000 291 HA LYS 38 HA LYS 38 8.006 4.386 -11.317 292 1HB LYS 38 1HB LYS 38 9.499 6.222 -11.734 293 2HB LYS 38 2HB LYS 38 10.757 5.154 -12.322 294 1HG LYS 38 1HG LYS 38 9.901 5.598 -14.392 295 2HG LYS 38 2HG LYS 38 8.664 4.431 -13.969 296 1HD LYS 38 1HD LYS 38 7.519 6.423 -14.723 297 2HD LYS 38 2HD LYS 38 7.289 6.331 -12.988 298 1HE LYS 38 1HE LYS 38 7.912 8.640 -13.777 299 2HE LYS 38 2HE LYS 38 9.028 7.999 -12.588 300 1HZ LYS 38 1HZ LYS 38 9.536 7.639 -15.443 301 2HZ LYS 38 2HZ LYS 38 9.968 9.020 -14.686 302 3HZ LYS 38 3HZ LYS 38 10.601 7.594 -14.205 303 H PHE 39 H PHE 39 7.216 2.294 -11.568 304 HA PHE 39 HA PHE 39 8.923 0.441 -13.043 305 1HB PHE 39 1HB PHE 39 7.086 -1.170 -12.287 306 2HB PHE 39 2HB PHE 39 7.884 -0.369 -10.948 307 HD1 PHE 39 HD1 PHE 39 4.847 -0.253 -13.072 308 HD2 PHE 39 HD2 PHE 39 6.657 0.930 -9.421 309 HE1 PHE 39 HE1 PHE 39 2.626 0.565 -12.236 310 HE2 PHE 39 HE2 PHE 39 4.436 1.748 -8.585 311 HZ PHE 39 HZ PHE 39 2.447 1.556 -10.002 312 H LYS 40 H LYS 40 7.812 -0.940 -14.743 313 HA LYS 40 HA LYS 40 5.999 0.778 -16.281 314 1HB LYS 40 1HB LYS 40 8.016 -1.304 -17.161 315 2HB LYS 40 2HB LYS 40 6.839 -0.580 -18.238 316 1HG LYS 40 1HG LYS 40 7.804 1.710 -17.236 317 2HG LYS 40 2HG LYS 40 9.194 0.714 -16.856 318 1HD LYS 40 1HD LYS 40 9.233 -0.045 -19.287 319 2HD LYS 40 2HD LYS 40 7.955 1.108 -19.619 320 1HE LYS 40 1HE LYS 40 9.756 2.728 -18.305 321 2HE LYS 40 2HE LYS 40 10.851 1.592 -19.067 322 1HZ LYS 40 1HZ LYS 40 8.752 2.540 -20.768 323 2HZ LYS 40 2HZ LYS 40 9.798 3.698 -20.286 324 3HZ LYS 40 3HZ LYS 40 10.348 2.377 -21.074 325 H THR 41 H THR 41 4.109 -0.118 -17.224 326 HA THR 41 HA THR 41 3.248 -2.579 -15.878 327 HB THR 41 HB THR 41 1.006 -1.692 -16.198 328 HG1 THR 41 HG1 THR 41 0.979 0.396 -17.536 329 1HG2 THR 41 1HG2 THR 41 2.919 0.637 -15.642 330 2HG2 THR 41 2HG2 THR 41 1.163 0.675 -15.353 331 3HG2 THR 41 3HG2 THR 41 2.195 -0.432 -14.417 332 HA PRO 42 HA PRO 42 3.296 -5.050 -19.430 333 1HB PRO 42 1HB PRO 42 0.989 -6.527 -19.054 334 2HB PRO 42 2HB PRO 42 2.470 -6.731 -18.065 335 1HG PRO 42 1HG PRO 42 -0.117 -5.078 -16.948 336 2HG PRO 42 2HG PRO 42 1.048 -6.413 -16.666 337 1HD PRO 42 1HD PRO 42 1.417 -3.620 -16.092 338 2HD PRO 42 2HD PRO 42 2.688 -4.880 -16.091 339 H SER 43 H SER 43 0.925 -2.591 -18.861 340 HA SER 43 HA SER 43 -0.315 -3.149 -21.426 341 1HB SER 43 1HB SER 43 -2.168 -1.925 -20.709 342 2HB SER 43 2HB SER 43 -1.610 -2.611 -19.196 343 HG SER 43 HG SER 43 -0.247 -0.431 -19.223 344 H GLY 44 H GLY 44 2.451 -2.216 -21.272 345 1HA GLY 44 1HA GLY 44 2.632 -0.367 -23.221 346 2HA GLY 44 2HA GLY 44 3.822 -0.547 -21.947 347 H LYS 45 H LYS 45 3.436 0.679 -19.857 348 HA LYS 45 HA LYS 45 3.057 3.360 -20.361 349 1HB LYS 45 1HB LYS 45 0.730 3.005 -20.748 350 2HB LYS 45 2HB LYS 45 0.566 1.992 -19.329 351 1HG LYS 45 1HG LYS 45 -0.006 3.851 -18.161 352 2HG LYS 45 2HG LYS 45 1.655 4.389 -18.319 353 1HD LYS 45 1HD LYS 45 1.156 5.910 -19.983 354 2HD LYS 45 2HD LYS 45 -0.047 4.873 -20.723 355 1HE LYS 45 1HE LYS 45 -1.728 5.952 -19.644 356 2HE LYS 45 2HE LYS 45 -0.981 5.657 -18.086 357 1HZ LYS 45 1HZ LYS 45 0.562 7.564 -18.854 358 2HZ LYS 45 2HZ LYS 45 -0.683 7.952 -19.837 359 3HZ LYS 45 3HZ LYS 45 -0.903 7.905 -18.220 360 H GLU 46 H GLU 46 4.581 4.050 -18.964 361 HA GLU 46 HA GLU 46 5.207 2.562 -16.673 362 1HB GLU 46 1HB GLU 46 6.830 4.354 -16.221 363 2HB GLU 46 2HB GLU 46 6.870 3.914 -17.917 364 1HG GLU 46 1HG GLU 46 5.003 6.135 -17.099 365 2HG GLU 46 2HG GLU 46 6.720 6.484 -17.110 366 H ALA 47 H ALA 47 5.077 3.277 -14.399 367 HA ALA 47 HA ALA 47 3.439 5.503 -13.728 368 1HB ALA 47 1HB ALA 47 2.155 3.016 -12.752 369 2HB ALA 47 2HB ALA 47 1.423 4.531 -13.333 370 3HB ALA 47 3HB ALA 47 1.986 3.309 -14.499 371 H ALA 48 H ALA 48 2.870 5.200 -11.181 372 HA ALA 48 HA ALA 48 4.803 3.598 -9.796 373 1HB ALA 48 1HB ALA 48 5.283 6.256 -8.846 374 2HB ALA 48 2HB ALA 48 6.435 5.126 -9.597 375 3HB ALA 48 3HB ALA 48 5.508 6.257 -10.612 376 H CYS 49 H CYS 49 4.444 3.693 -7.433 377 HA CYS 49 HA CYS 49 1.688 3.935 -6.885 378 1HB CYS 49 1HB CYS 49 3.949 3.600 -4.907 379 2HB CYS 49 2HB CYS 49 2.254 3.241 -4.645 380 H ALA 50 H ALA 50 4.192 6.205 -7.205 381 HA ALA 50 HA ALA 50 2.980 8.012 -5.234 382 1HB ALA 50 1HB ALA 50 5.303 7.789 -4.803 383 2HB ALA 50 2HB ALA 50 5.154 9.316 -5.704 384 3HB ALA 50 3HB ALA 50 5.715 7.845 -6.534 385 H SER 51 H SER 51 2.523 7.098 -8.343 386 HA SER 51 HA SER 51 2.609 9.689 -9.543 387 1HB SER 51 1HB SER 51 2.439 6.951 -10.432 388 2HB SER 51 2HB SER 51 1.074 7.819 -11.105 389 HG SER 51 HG SER 51 2.714 8.153 -12.572 390 H CYS 52 H CYS 52 0.419 7.808 -7.615 391 HA CYS 52 HA CYS 52 -1.748 9.630 -8.370 392 1HB CYS 52 1HB CYS 52 -1.862 6.670 -7.780 393 2HB CYS 52 2HB CYS 52 -3.266 7.693 -7.546 394 H HIS 53 H HIS 53 -0.208 7.568 -5.927 395 HA HIS 53 HA HIS 53 -1.535 9.039 -3.713 396 1HB HIS 53 1HB HIS 53 0.365 6.631 -3.639 397 2HB HIS 53 2HB HIS 53 -0.661 7.273 -2.285 398 HD1 HIS 53 HD1 HIS 53 -3.346 7.299 -3.140 399 HD2 HIS 53 HD2 HIS 53 -0.759 4.395 -4.672 400 HE1 HIS 53 HE1 HIS 53 -4.840 5.369 -3.968 401 H THR 54 H THR 54 0.710 10.072 -5.653 402 HA THR 54 HA THR 54 2.596 11.261 -5.526 403 HB THR 54 HB THR 54 2.587 12.901 -3.625 404 HG1 THR 54 HG1 THR 54 1.893 11.744 -1.832 405 1HG2 THR 54 1HG2 THR 54 -0.116 12.144 -4.828 406 2HG2 THR 54 2HG2 THR 54 0.066 13.529 -3.724 407 3HG2 THR 54 3HG2 THR 54 0.936 13.508 -5.277 408 H ASN 55 H ASN 55 4.669 11.769 -4.197 409 HA ASN 55 HA ASN 55 5.951 9.411 -3.806 410 1HB ASN 55 1HB ASN 55 7.664 10.846 -2.527 411 2HB ASN 55 2HB ASN 55 7.244 11.431 -4.124 412 1HD2 ASN 55 2HD2 ASN 55 6.725 13.468 -4.312 413 2HD2 ASN 55 1HD2 ASN 55 6.150 14.525 -3.067 414 H ASN 56 H ASN 56 3.734 11.142 -1.728 415 HA ASN 56 HA ASN 56 4.389 9.289 0.417 416 1HB ASN 56 1HB ASN 56 4.538 12.184 0.485 417 2HB ASN 56 2HB ASN 56 3.212 11.692 1.520 418 1HD2 ASN 56 2HD2 ASN 56 6.631 11.581 0.940 419 2HD2 ASN 56 1HD2 ASN 56 7.132 10.936 2.468 420 HA PRO 57 HA PRO 57 0.031 8.481 -0.238 421 1HB PRO 57 1HB PRO 57 -0.250 6.583 1.708 422 2HB PRO 57 2HB PRO 57 0.689 6.283 0.209 423 1HG PRO 57 1HG PRO 57 1.869 7.023 2.925 424 2HG PRO 57 2HG PRO 57 2.230 5.748 1.716 425 1HD PRO 57 1HD PRO 57 3.541 8.208 1.845 426 2HD PRO 57 2HD PRO 57 3.332 7.286 0.325 427 H ALA 58 H ALA 58 1.354 8.916 3.148 428 HA ALA 58 HA ALA 58 -1.036 9.558 4.348 429 1HB ALA 58 1HB ALA 58 1.798 9.691 4.913 430 2HB ALA 58 2HB ALA 58 0.995 11.160 5.518 431 3HB ALA 58 3HB ALA 58 0.432 9.556 6.047 432 H ASN 59 H ASN 59 0.764 11.281 1.921 433 HA ASN 59 HA ASN 59 -0.322 13.819 2.665 434 1HB ASN 59 1HB ASN 59 1.958 13.206 1.392 435 2HB ASN 59 2HB ASN 59 0.940 13.239 -0.034 436 1HD2 ASN 59 2HD2 ASN 59 3.047 14.982 0.359 437 2HD2 ASN 59 1HD2 ASN 59 2.462 16.602 0.543 438 H VAL 60 H VAL 60 -1.361 15.086 0.595 439 HA VAL 60 HA VAL 60 -3.708 13.611 -0.075 440 HB VAL 60 HB VAL 60 -2.686 16.353 -0.835 441 1HG1 VAL 60 1HG1 VAL 60 -4.323 15.286 -2.480 442 2HG1 VAL 60 2HG1 VAL 60 -5.525 15.358 -1.170 443 3HG1 VAL 60 3HG1 VAL 60 -4.794 16.858 -1.790 444 1HG2 VAL 60 1HG2 VAL 60 -3.176 15.988 1.577 445 2HG2 VAL 60 2HG2 VAL 60 -4.253 17.184 0.818 446 3HG2 VAL 60 3HG2 VAL 60 -4.842 15.536 1.142 447 H GLY 61 H GLY 61 -3.997 12.287 -1.789 448 1HA GLY 61 1HA GLY 61 -3.164 11.029 -3.546 449 2HA GLY 61 2HA GLY 61 -1.924 12.230 -3.847 450 H LYS 62 H LYS 62 -3.075 11.447 -6.101 451 HA LYS 62 HA LYS 62 -5.487 12.858 -6.683 452 1HB LYS 62 1HB LYS 62 -4.053 14.786 -6.700 453 2HB LYS 62 2HB LYS 62 -2.848 13.966 -7.673 454 1HG LYS 62 1HG LYS 62 -4.425 13.817 -9.573 455 2HG LYS 62 2HG LYS 62 -5.706 14.515 -8.603 456 1HD LYS 62 1HD LYS 62 -4.183 16.572 -8.289 457 2HD LYS 62 2HD LYS 62 -3.134 15.879 -9.510 458 1HE LYS 62 1HE LYS 62 -5.357 15.708 -10.949 459 2HE LYS 62 2HE LYS 62 -5.973 16.898 -9.819 460 1HZ LYS 62 1HZ LYS 62 -3.414 17.270 -11.194 461 2HZ LYS 62 2HZ LYS 62 -4.827 17.756 -11.852 462 3HZ LYS 62 3HZ LYS 62 -4.323 18.396 -10.437 463 H ASN 63 H ASN 63 -6.515 11.872 -8.380 464 HA ASN 63 HA ASN 63 -5.169 9.601 -9.457 465 1HB ASN 63 1HB ASN 63 -7.977 10.761 -9.708 466 2HB ASN 63 2HB ASN 63 -7.475 9.428 -10.729 467 1HD2 ASN 63 2HD2 ASN 63 -9.560 9.195 -8.970 468 2HD2 ASN 63 1HD2 ASN 63 -9.166 8.101 -7.686 469 H ILE 64 H ILE 64 -4.289 9.477 -11.557 470 HA ILE 64 HA ILE 64 -4.251 11.934 -13.078 471 HB ILE 64 HB ILE 64 -2.478 10.990 -14.273 472 1HG1 ILE 64 1HG1 ILE 64 -3.209 8.265 -13.160 473 2HG1 ILE 64 2HG1 ILE 64 -3.578 8.823 -14.780 474 1HG2 ILE 64 1HG2 ILE 64 -2.496 10.925 -11.411 475 2HG2 ILE 64 2HG2 ILE 64 -1.458 9.611 -12.015 476 3HG2 ILE 64 3HG2 ILE 64 -1.154 11.290 -12.522 477 1HD1 ILE 64 1HD1 ILE 64 -0.771 8.595 -13.597 478 2HD1 ILE 64 2HD1 ILE 64 -1.506 7.460 -14.755 479 3HD1 ILE 64 3HD1 ILE 64 -1.157 9.134 -15.249 480 H VAL 65 H VAL 65 -6.575 9.726 -12.694 481 HA VAL 65 HA VAL 65 -7.054 9.163 -15.498 482 HB VAL 65 HB VAL 65 -8.450 8.420 -12.925 483 1HG1 VAL 65 1HG1 VAL 65 -10.004 8.756 -14.931 484 2HG1 VAL 65 2HG1 VAL 65 -9.177 7.361 -15.665 485 3HG1 VAL 65 3HG1 VAL 65 -10.054 7.169 -14.128 486 1HG2 VAL 65 1HG2 VAL 65 -6.224 7.330 -14.291 487 2HG2 VAL 65 2HG2 VAL 65 -7.105 6.641 -12.906 488 3HG2 VAL 65 3HG2 VAL 65 -7.583 6.214 -14.567 489 H THR 66 H THR 66 -8.718 10.837 -12.733 490 HA THR 66 HA THR 66 -10.205 12.379 -14.751 491 HB THR 66 HB THR 66 -11.880 12.652 -12.936 492 HG1 THR 66 HG1 THR 66 -11.313 11.669 -10.877 493 1HG2 THR 66 1HG2 THR 66 -11.368 10.222 -14.195 494 2HG2 THR 66 2HG2 THR 66 -11.278 9.776 -12.474 495 3HG2 THR 66 3HG2 THR 66 -12.755 10.529 -13.122 496 H GLY 67 H GLY 67 -8.047 12.540 -11.918 497 1HA GLY 67 1HA GLY 67 -7.314 15.232 -12.658 498 2HA GLY 67 2HA GLY 67 -6.620 14.236 -11.394 499 H LYS 68 H LYS 68 -9.243 13.568 -10.131 500 HA LYS 68 HA LYS 68 -10.394 16.089 -9.391 501 1HB LYS 68 1HB LYS 68 -10.911 13.200 -8.750 502 2HB LYS 68 2HB LYS 68 -11.596 14.443 -7.723 503 1HG LYS 68 1HG LYS 68 -11.887 14.691 -10.727 504 2HG LYS 68 2HG LYS 68 -12.927 13.579 -9.859 505 1HD LYS 68 1HD LYS 68 -14.022 15.285 -8.685 506 2HD LYS 68 2HD LYS 68 -12.644 16.366 -8.748 507 1HE LYS 68 1HE LYS 68 -13.685 17.424 -10.469 508 2HE LYS 68 2HE LYS 68 -13.306 16.025 -11.455 509 1HZ LYS 68 1HZ LYS 68 -15.533 15.408 -9.935 510 2HZ LYS 68 2HZ LYS 68 -15.798 16.880 -10.590 511 3HZ LYS 68 3HZ LYS 68 -15.448 15.609 -11.554 512 H GLU 69 H GLU 69 -9.677 13.627 -6.932 513 HA GLU 69 HA GLU 69 -7.361 14.713 -5.936 514 1HB GLU 69 1HB GLU 69 -8.014 16.172 -4.173 515 2HB GLU 69 2HB GLU 69 -8.932 16.711 -5.565 516 1HG GLU 69 1HG GLU 69 -10.885 15.314 -4.769 517 2HG GLU 69 2HG GLU 69 -9.965 14.889 -3.340 518 H ILE 70 H ILE 70 -6.534 13.086 -4.686 519 HA ILE 70 HA ILE 70 -8.493 11.300 -3.421 520 HB ILE 70 HB ILE 70 -5.719 10.670 -4.436 521 1HG1 ILE 70 1HG1 ILE 70 -7.710 11.171 -6.090 522 2HG1 ILE 70 2HG1 ILE 70 -6.604 9.842 -6.372 523 1HG2 ILE 70 1HG2 ILE 70 -7.712 9.162 -2.824 524 2HG2 ILE 70 2HG2 ILE 70 -6.873 8.274 -4.119 525 3HG2 ILE 70 3HG2 ILE 70 -5.934 9.077 -2.837 526 1HD1 ILE 70 1HD1 ILE 70 -8.935 9.181 -4.632 527 2HD1 ILE 70 2HD1 ILE 70 -9.326 9.568 -6.325 528 3HD1 ILE 70 3HD1 ILE 70 -8.198 8.243 -5.953 529 HA PRO 71 HA PRO 71 -6.943 13.480 0.194 530 1HB PRO 71 1HB PRO 71 -8.751 11.377 1.394 531 2HB PRO 71 2HB PRO 71 -8.681 13.150 1.660 532 1HG PRO 71 1HG PRO 71 -10.501 12.041 0.264 533 2HG PRO 71 2HG PRO 71 -10.061 13.709 -0.228 534 1HD PRO 71 1HD PRO 71 -9.504 11.090 -1.559 535 2HD PRO 71 2HD PRO 71 -9.423 12.743 -2.241 536 HA PRO 72 HA PRO 72 -3.680 11.146 1.948 537 1HB PRO 72 1HB PRO 72 -5.350 10.753 4.450 538 2HB PRO 72 2HB PRO 72 -3.660 11.322 4.251 539 1HG PRO 72 1HG PRO 72 -5.821 13.114 4.665 540 2HG PRO 72 2HG PRO 72 -4.216 13.266 3.876 541 1HD PRO 72 1HD PRO 72 -6.977 13.159 2.685 542 2HD PRO 72 2HD PRO 72 -5.471 13.838 1.996 543 H LEU 73 H LEU 73 -3.139 8.983 1.580 544 HA LEU 73 HA LEU 73 -5.363 7.149 1.330 545 1HB LEU 73 1HB LEU 73 -3.922 7.077 -0.490 546 2HB LEU 73 2HB LEU 73 -2.482 7.161 0.506 547 HG LEU 73 HG LEU 73 -3.325 4.811 1.383 548 1HD1 LEU 73 1HD1 LEU 73 -5.110 5.356 -0.848 549 2HD1 LEU 73 2HD1 LEU 73 -4.187 3.852 -1.080 550 3HD1 LEU 73 3HD1 LEU 73 -5.172 4.075 0.386 551 1HD2 LEU 73 1HD2 LEU 73 -1.224 5.478 0.056 552 2HD2 LEU 73 2HD2 LEU 73 -1.764 3.784 -0.014 553 3HD2 LEU 73 3HD2 LEU 73 -2.106 4.883 -1.371 554 H ALA 74 H ALA 74 -2.695 7.937 3.513 555 HA ALA 74 HA ALA 74 -2.173 5.679 4.839 556 1HB ALA 74 1HB ALA 74 -2.382 8.546 5.513 557 2HB ALA 74 2HB ALA 74 -1.089 7.378 5.875 558 3HB ALA 74 3HB ALA 74 -2.528 7.463 6.918 559 HA PRO 75 HA PRO 75 -6.240 4.233 5.945 560 1HB PRO 75 1HB PRO 75 -5.408 1.760 6.779 561 2HB PRO 75 2HB PRO 75 -5.468 2.222 5.046 562 1HG PRO 75 1HG PRO 75 -3.262 2.212 6.872 563 2HG PRO 75 2HG PRO 75 -3.190 1.554 5.205 564 1HD PRO 75 1HD PRO 75 -2.171 4.006 5.801 565 2HD PRO 75 2HD PRO 75 -3.069 3.749 4.275 566 H ARG 76 H ARG 76 -3.556 5.201 7.845 567 HA ARG 76 HA ARG 76 -4.940 4.385 10.264 568 1HB ARG 76 1HB ARG 76 -2.552 3.727 10.135 569 2HB ARG 76 2HB ARG 76 -2.082 5.387 9.827 570 1HG ARG 76 1HG ARG 76 -2.813 6.090 12.048 571 2HG ARG 76 2HG ARG 76 -3.563 4.536 12.354 572 1HD ARG 76 1HD ARG 76 -0.899 3.882 11.683 573 2HD ARG 76 2HD ARG 76 -0.745 5.332 12.655 574 HE ARG 76 HE ARG 76 -2.617 3.528 13.899 575 1HH1 ARG 76 1HH1 ARG 76 -1.994 2.344 15.752 576 2HH1 ARG 76 2HH1 ARG 76 -0.315 2.133 16.119 577 1HH2 ARG 76 1HH2 ARG 76 0.829 3.951 13.327 578 2HH2 ARG 76 2HH2 ARG 76 1.302 3.053 14.731 579 H VAL 77 H VAL 77 -3.210 7.187 8.721 580 HA VAL 77 HA VAL 77 -3.695 9.125 10.550 581 HB VAL 77 HB VAL 77 -3.553 9.102 7.553 582 1HG1 VAL 77 1HG1 VAL 77 -5.092 10.944 8.176 583 2HG1 VAL 77 2HG1 VAL 77 -3.836 11.606 9.249 584 3HG1 VAL 77 3HG1 VAL 77 -3.558 11.534 7.492 585 1HG2 VAL 77 1HG2 VAL 77 -1.717 9.464 9.812 586 2HG2 VAL 77 2HG2 VAL 77 -1.384 9.009 8.124 587 3HG2 VAL 77 3HG2 VAL 77 -1.557 10.725 8.566 588 H ASN 78 H ASN 78 -5.953 7.817 8.062 589 HA ASN 78 HA ASN 78 -7.993 9.588 9.075 590 1HB ASN 78 1HB ASN 78 -8.359 7.474 6.908 591 2HB ASN 78 2HB ASN 78 -9.274 8.952 7.130 592 1HD2 ASN 78 2HD2 ASN 78 -8.472 8.653 4.710 593 2HD2 ASN 78 1HD2 ASN 78 -7.094 9.612 4.285 594 H THR 79 H THR 79 -9.902 8.771 10.146 595 HA THR 79 HA THR 79 -9.587 6.095 11.247 596 HB THR 79 HB THR 79 -11.569 6.991 12.670 597 HG1 THR 79 HG1 THR 79 -11.951 8.633 10.856 598 1HG2 THR 79 1HG2 THR 79 -8.999 8.660 12.578 599 2HG2 THR 79 2HG2 THR 79 -10.164 8.639 13.924 600 3HG2 THR 79 3HG2 THR 79 -9.229 7.176 13.533 601 H LYS 80 H LYS 80 -10.784 7.271 8.417 602 HA LYS 80 HA LYS 80 -13.028 5.375 8.469 603 1HB LYS 80 1HB LYS 80 -14.066 6.705 6.729 604 2HB LYS 80 2HB LYS 80 -13.723 7.706 8.125 605 1HG LYS 80 1HG LYS 80 -11.384 8.010 6.692 606 2HG LYS 80 2HG LYS 80 -12.536 7.796 5.389 607 1HD LYS 80 1HD LYS 80 -12.942 10.030 5.635 608 2HD LYS 80 2HD LYS 80 -13.914 9.555 7.014 609 1HE LYS 80 1HE LYS 80 -11.317 9.610 8.070 610 2HE LYS 80 2HE LYS 80 -11.310 10.956 6.948 611 1HZ LYS 80 1HZ LYS 80 -13.597 11.404 8.083 612 2HZ LYS 80 2HZ LYS 80 -12.925 10.573 9.318 613 3HZ LYS 80 3HZ LYS 80 -12.205 11.928 8.758 614 H ARG 81 H ARG 81 -10.507 4.283 8.270 615 HA ARG 81 HA ARG 81 -10.594 3.422 5.518 616 1HB ARG 81 1HB ARG 81 -8.108 4.467 6.951 617 2HB ARG 81 2HB ARG 81 -7.998 3.440 5.536 618 1HG ARG 81 1HG ARG 81 -9.770 5.885 5.403 619 2HG ARG 81 2HG ARG 81 -8.035 6.108 5.310 620 1HD ARG 81 1HD ARG 81 -8.027 4.317 3.449 621 2HD ARG 81 2HD ARG 81 -9.776 4.428 3.450 622 HE ARG 81 HE ARG 81 -7.885 6.484 2.498 623 1HH1 ARG 81 1HH1 ARG 81 -8.773 8.250 1.350 624 2HH1 ARG 81 2HH1 ARG 81 -10.485 8.512 1.354 625 1HH2 ARG 81 1HH2 ARG 81 -11.204 5.732 3.395 626 2HH2 ARG 81 2HH2 ARG 81 -11.877 7.070 2.525 627 H PHE 82 H PHE 82 -9.040 1.385 5.276 628 HA PHE 82 HA PHE 82 -8.980 -0.773 5.870 629 1HB PHE 82 1HB PHE 82 -7.400 0.948 7.795 630 2HB PHE 82 2HB PHE 82 -7.542 -0.744 8.228 631 HD1 PHE 82 HD1 PHE 82 -5.034 -0.751 8.027 632 HD2 PHE 82 HD2 PHE 82 -7.572 -0.088 4.691 633 HE1 PHE 82 HE1 PHE 82 -3.141 -1.307 6.476 634 HE2 PHE 82 HE2 PHE 82 -5.679 -0.644 3.140 635 HZ PHE 82 HZ PHE 82 -3.486 -1.247 4.051 636 H THR 83 H THR 83 -11.484 -0.444 6.377 637 HA THR 83 HA THR 83 -11.868 -1.377 9.144 638 HB THR 83 HB THR 83 -13.417 0.671 7.494 639 HG1 THR 83 HG1 THR 83 -12.824 1.890 9.362 640 1HG2 THR 83 1HG2 THR 83 -14.391 -1.200 9.605 641 2HG2 THR 83 2HG2 THR 83 -14.682 0.521 9.952 642 3HG2 THR 83 3HG2 THR 83 -15.323 -0.206 8.459 643 H ASP 84 H ASP 84 -11.254 -3.170 7.124 644 HA ASP 84 HA ASP 84 -13.491 -4.812 7.279 645 1HB ASP 84 1HB ASP 84 -14.204 -3.207 5.416 646 2HB ASP 84 2HB ASP 84 -12.859 -3.807 4.466 647 H ILE 85 H ILE 85 -11.552 -6.005 8.125 648 HA ILE 85 HA ILE 85 -9.211 -6.477 6.905 649 HB ILE 85 HB ILE 85 -10.966 -8.406 8.422 650 1HG1 ILE 85 1HG1 ILE 85 -8.573 -7.216 9.676 651 2HG1 ILE 85 2HG1 ILE 85 -9.830 -6.062 9.279 652 1HG2 ILE 85 1HG2 ILE 85 -8.708 -9.065 6.924 653 2HG2 ILE 85 2HG2 ILE 85 -8.112 -8.911 8.594 654 3HG2 ILE 85 3HG2 ILE 85 -9.453 -10.023 8.226 655 1HD1 ILE 85 1HD1 ILE 85 -11.402 -7.981 10.355 656 2HD1 ILE 85 2HD1 ILE 85 -9.889 -8.350 11.218 657 3HD1 ILE 85 3HD1 ILE 85 -10.616 -6.731 11.349 658 H ASP 86 H ASP 86 -12.410 -7.580 5.872 659 HA ASP 86 HA ASP 86 -11.542 -9.634 4.219 660 1HB ASP 86 1HB ASP 86 -13.981 -7.808 4.147 661 2HB ASP 86 2HB ASP 86 -13.775 -9.123 3.007 662 H LYS 87 H LYS 87 -12.868 -6.363 3.278 663 HA LYS 87 HA LYS 87 -12.188 -6.310 0.684 664 1HB LYS 87 1HB LYS 87 -13.456 -4.565 1.871 665 2HB LYS 87 2HB LYS 87 -11.987 -4.001 2.641 666 1HG LYS 87 1HG LYS 87 -11.138 -3.921 0.065 667 2HG LYS 87 2HG LYS 87 -12.856 -3.730 -0.225 668 1HD LYS 87 1HD LYS 87 -12.071 -2.029 2.000 669 2HD LYS 87 2HD LYS 87 -10.995 -1.738 0.649 670 1HE LYS 87 1HE LYS 87 -13.933 -1.929 0.029 671 2HE LYS 87 2HE LYS 87 -13.397 -0.501 0.891 672 1HZ LYS 87 1HZ LYS 87 -12.168 -1.456 -1.600 673 2HZ LYS 87 2HZ LYS 87 -13.309 -0.289 -1.529 674 3HZ LYS 87 3HZ LYS 87 -11.851 -0.048 -0.835 675 H VAL 88 H VAL 88 -10.007 -5.529 3.461 676 HA VAL 88 HA VAL 88 -7.812 -4.630 2.249 677 HB VAL 88 HB VAL 88 -8.315 -6.454 4.540 678 1HG1 VAL 88 1HG1 VAL 88 -6.326 -7.461 3.464 679 2HG1 VAL 88 2HG1 VAL 88 -5.504 -5.883 3.539 680 3HG1 VAL 88 3HG1 VAL 88 -5.946 -6.729 5.042 681 1HG2 VAL 88 1HG2 VAL 88 -8.142 -3.743 4.239 682 2HG2 VAL 88 2HG2 VAL 88 -7.897 -4.611 5.774 683 3HG2 VAL 88 3HG2 VAL 88 -6.495 -4.140 4.784 684 H GLU 89 H GLU 89 -8.553 -8.175 2.603 685 HA GLU 89 HA GLU 89 -6.546 -8.697 0.609 686 1HB GLU 89 1HB GLU 89 -7.426 -10.070 2.869 687 2HB GLU 89 2HB GLU 89 -8.159 -10.983 1.565 688 1HG GLU 89 1HG GLU 89 -6.140 -11.761 0.791 689 2HG GLU 89 2HG GLU 89 -5.331 -10.229 1.052 690 H ASP 90 H ASP 90 -7.650 -7.649 -1.208 691 HA ASP 90 HA ASP 90 -9.023 -9.426 -2.772 692 1HB ASP 90 1HB ASP 90 -11.023 -9.226 -1.516 693 2HB ASP 90 2HB ASP 90 -10.755 -7.528 -1.175 694 H GLU 91 H GLU 91 -9.532 -5.898 -1.968 695 HA GLU 91 HA GLU 91 -9.336 -5.096 -4.625 696 1HB GLU 91 1HB GLU 91 -9.496 -2.863 -3.779 697 2HB GLU 91 2HB GLU 91 -10.443 -3.856 -2.689 698 1HG GLU 91 1HG GLU 91 -8.672 -3.881 -1.025 699 2HG GLU 91 2HG GLU 91 -7.519 -3.185 -2.147 700 H PHE 92 H PHE 92 -6.955 -5.386 -1.957 701 HA PHE 92 HA PHE 92 -4.888 -3.952 -3.123 702 1HB PHE 92 1HB PHE 92 -5.441 -5.787 -0.924 703 2HB PHE 92 2HB PHE 92 -3.954 -6.312 -1.688 704 HD1 PHE 92 HD1 PHE 92 -2.631 -3.854 -2.447 705 HD2 PHE 92 HD2 PHE 92 -4.897 -4.704 1.038 706 HE1 PHE 92 HE1 PHE 92 -1.363 -2.088 -1.192 707 HE2 PHE 92 HE2 PHE 92 -3.630 -2.937 2.293 708 HZ PHE 92 HZ PHE 92 -1.878 -1.650 1.163 709 H THR 93 H THR 93 -6.196 -7.160 -3.833 710 HA THR 93 HA THR 93 -3.826 -7.916 -5.337 711 HB THR 93 HB THR 93 -6.422 -9.218 -4.448 712 HG1 THR 93 HG1 THR 93 -3.521 -9.626 -4.377 713 1HG2 THR 93 1HG2 THR 93 -4.448 -10.222 -6.562 714 2HG2 THR 93 2HG2 THR 93 -5.540 -11.295 -5.655 715 3HG2 THR 93 3HG2 THR 93 -6.211 -10.054 -6.739 716 H LYS 94 H LYS 94 -7.226 -6.892 -5.887 717 HA LYS 94 HA LYS 94 -7.101 -7.293 -8.679 718 1HB LYS 94 1HB LYS 94 -8.943 -5.411 -7.187 719 2HB LYS 94 2HB LYS 94 -9.219 -6.182 -8.736 720 1HG LYS 94 1HG LYS 94 -8.621 -8.288 -6.893 721 2HG LYS 94 2HG LYS 94 -9.737 -7.218 -6.067 722 1HD LYS 94 1HD LYS 94 -11.218 -8.633 -7.209 723 2HD LYS 94 2HD LYS 94 -11.104 -7.285 -8.323 724 1HE LYS 94 1HE LYS 94 -8.934 -9.099 -8.911 725 2HE LYS 94 2HE LYS 94 -10.403 -10.046 -8.785 726 1HZ LYS 94 1HZ LYS 94 -10.388 -7.567 -10.326 727 2HZ LYS 94 2HZ LYS 94 -9.839 -8.954 -10.991 728 3HZ LYS 94 3HZ LYS 94 -11.384 -8.854 -10.470 729 H HIS 95 H HIS 95 -6.110 -4.797 -6.482 730 HA HIS 95 HA HIS 95 -5.887 -2.633 -8.375 731 1HB HIS 95 1HB HIS 95 -6.044 -2.570 -5.813 732 2HB HIS 95 2HB HIS 95 -4.283 -3.016 -5.798 733 HD1 HIS 95 HD1 HIS 95 -5.039 -0.770 -8.522 734 HD2 HIS 95 HD2 HIS 95 -4.145 -0.375 -4.458 735 HE1 HIS 95 HE1 HIS 95 -4.320 1.681 -8.179 736 H CYS 96 H CYS 96 -3.376 -4.760 -6.878 737 HA CYS 96 HA CYS 96 -1.219 -3.909 -8.475 738 1HB CYS 96 1HB CYS 96 -1.875 -6.402 -6.908 739 2HB CYS 96 2HB CYS 96 -0.411 -6.351 -7.922 740 H ASN 97 H ASN 97 -3.990 -5.996 -9.244 741 HA ASN 97 HA ASN 97 -2.637 -7.180 -11.450 742 1HB ASN 97 1HB ASN 97 -5.199 -7.479 -10.050 743 2HB ASN 97 2HB ASN 97 -5.462 -7.447 -11.782 744 1HD2 ASN 97 2HD2 ASN 97 -4.846 -9.376 -9.209 745 2HD2 ASN 97 1HD2 ASN 97 -4.132 -10.755 -9.976 746 H ASP 98 H ASP 98 -4.131 -4.167 -10.736 747 HA ASP 98 HA ASP 98 -4.650 -3.725 -13.572 748 1HB ASP 98 1HB ASP 98 -6.281 -3.237 -11.243 749 2HB ASP 98 2HB ASP 98 -5.838 -1.678 -11.909 750 H ILE 99 H ILE 99 -2.313 -3.367 -11.353 751 HA ILE 99 HA ILE 99 -1.655 -0.636 -12.208 752 HB ILE 99 HB ILE 99 -1.226 -1.910 -9.506 753 1HG1 ILE 99 1HG1 ILE 99 -3.511 -1.000 -10.031 754 2HG1 ILE 99 2HG1 ILE 99 -2.716 -0.279 -8.647 755 1HG2 ILE 99 1HG2 ILE 99 0.734 -0.563 -10.354 756 2HG2 ILE 99 2HG2 ILE 99 -0.344 0.853 -10.362 757 3HG2 ILE 99 3HG2 ILE 99 0.002 0.006 -8.835 758 1HD1 ILE 99 1HD1 ILE 99 -2.238 1.044 -11.298 759 2HD1 ILE 99 2HD1 ILE 99 -3.863 1.207 -10.590 760 3HD1 ILE 99 3HD1 ILE 99 -2.438 1.770 -9.685 761 H LEU 100 H LEU 100 -0.511 -3.903 -11.205 762 HA LEU 100 HA LEU 100 2.011 -3.304 -12.578 763 1HB LEU 100 1HB LEU 100 1.300 -5.261 -10.399 764 2HB LEU 100 2HB LEU 100 2.794 -5.360 -11.309 765 HG LEU 100 HG LEU 100 1.906 -3.066 -9.541 766 1HD1 LEU 100 1HD1 LEU 100 3.041 -5.465 -8.816 767 2HD1 LEU 100 2HD1 LEU 100 4.454 -4.394 -8.970 768 3HD1 LEU 100 3HD1 LEU 100 3.116 -3.950 -7.885 769 1HD2 LEU 100 1HD2 LEU 100 4.278 -3.332 -11.388 770 2HD2 LEU 100 2HD2 LEU 100 3.079 -2.020 -11.288 771 3HD2 LEU 100 3HD2 LEU 100 4.277 -2.232 -9.988 772 H GLY 101 H GLY 101 -0.880 -5.365 -12.460 773 1HA GLY 101 1HA GLY 101 -0.001 -6.578 -15.004 774 2HA GLY 101 2HA GLY 101 -1.660 -6.275 -14.526 775 H ALA 102 H ALA 102 -0.511 -7.191 -11.641 776 HA ALA 102 HA ALA 102 -1.559 -9.815 -11.857 777 1HB ALA 102 1HB ALA 102 1.376 -9.396 -12.073 778 2HB ALA 102 2HB ALA 102 0.862 -10.623 -10.891 779 3HB ALA 102 3HB ALA 102 0.374 -10.771 -12.596 780 H ASP 103 H ASP 103 -0.660 -10.979 -9.553 781 HA ASP 103 HA ASP 103 -1.646 -9.093 -7.629 782 1HB ASP 103 1HB ASP 103 -2.253 -11.645 -7.900 783 2HB ASP 103 2HB ASP 103 -0.750 -11.937 -7.048 784 H CYS 104 H CYS 104 -0.332 -8.040 -6.218 785 HA CYS 104 HA CYS 104 2.499 -8.134 -6.405 786 1HB CYS 104 1HB CYS 104 0.545 -6.956 -4.408 787 2HB CYS 104 2HB CYS 104 2.308 -6.796 -4.208 788 H SER 105 H SER 105 4.051 -8.722 -4.586 789 HA SER 105 HA SER 105 3.421 -11.340 -3.738 790 1HB SER 105 1HB SER 105 5.716 -10.573 -4.408 791 2HB SER 105 2HB SER 105 5.778 -9.555 -2.982 792 HG SER 105 HG SER 105 6.838 -11.654 -2.704 793 HA PRO 106 HA PRO 106 1.548 -10.597 0.165 794 1HB PRO 106 1HB PRO 106 2.618 -12.785 1.542 795 2HB PRO 106 2HB PRO 106 1.263 -12.871 0.369 796 1HG PRO 106 1HG PRO 106 4.235 -13.487 -0.161 797 2HG PRO 106 2HG PRO 106 2.737 -14.378 -0.585 798 1HD PRO 106 1HD PRO 106 3.972 -12.684 -2.349 799 2HD PRO 106 2HD PRO 106 2.187 -12.793 -2.267 800 H SER 107 H SER 107 5.042 -10.710 -0.347 801 HA SER 107 HA SER 107 5.567 -9.947 2.364 802 1HB SER 107 1HB SER 107 7.901 -10.023 1.740 803 2HB SER 107 2HB SER 107 7.118 -11.412 1.013 804 HG SER 107 HG SER 107 7.573 -10.670 -0.948 805 H GLU 108 H GLU 108 5.511 -8.505 -0.941 806 HA GLU 108 HA GLU 108 6.504 -6.021 -0.117 807 1HB GLU 108 1HB GLU 108 4.768 -6.652 -2.544 808 2HB GLU 108 2HB GLU 108 5.797 -5.248 -2.345 809 1HG GLU 108 1HG GLU 108 6.899 -8.087 -2.220 810 2HG GLU 108 2HG GLU 108 6.750 -7.215 -3.734 811 H LYS 109 H LYS 109 3.537 -7.595 0.485 812 HA LYS 109 HA LYS 109 1.963 -5.165 0.507 813 1HB LYS 109 1HB LYS 109 1.104 -7.424 -0.262 814 2HB LYS 109 2HB LYS 109 1.163 -7.942 1.410 815 1HG LYS 109 1HG LYS 109 -0.978 -7.122 1.484 816 2HG LYS 109 2HG LYS 109 -0.179 -5.581 1.723 817 1HD LYS 109 1HD LYS 109 -1.742 -5.221 -0.060 818 2HD LYS 109 2HD LYS 109 -0.169 -5.299 -0.827 819 1HE LYS 109 1HE LYS 109 -1.801 -6.654 -2.093 820 2HE LYS 109 2HE LYS 109 -0.553 -7.685 -1.423 821 1HZ LYS 109 1HZ LYS 109 -2.747 -7.323 0.345 822 2HZ LYS 109 2HZ LYS 109 -3.194 -8.005 -1.069 823 3HZ LYS 109 3HZ LYS 109 -2.034 -8.704 -0.156 824 H ALA 110 H ALA 110 2.806 -7.747 2.930 825 HA ALA 110 HA ALA 110 1.992 -6.363 5.155 826 1HB ALA 110 1HB ALA 110 4.441 -7.957 5.530 827 2HB ALA 110 2HB ALA 110 2.811 -8.189 6.208 828 3HB ALA 110 3HB ALA 110 3.191 -8.792 4.577 829 H ASN 111 H ASN 111 4.676 -5.743 3.009 830 HA ASN 111 HA ASN 111 6.262 -4.409 4.923 831 1HB ASN 111 1HB ASN 111 6.901 -5.421 2.561 832 2HB ASN 111 2HB ASN 111 6.350 -3.885 1.923 833 1HD2 ASN 111 2HD2 ASN 111 7.173 -1.944 3.295 834 2HD2 ASN 111 1HD2 ASN 111 8.873 -1.921 3.624 835 H PHE 112 H PHE 112 4.042 -3.437 2.208 836 HA PHE 112 HA PHE 112 4.307 -0.684 2.572 837 1HB PHE 112 1HB PHE 112 3.333 -1.996 0.596 838 2HB PHE 112 2HB PHE 112 1.945 -2.395 1.587 839 HD1 PHE 112 HD1 PHE 112 0.057 -1.183 1.107 840 HD2 PHE 112 HD2 PHE 112 3.831 0.717 0.711 841 HE1 PHE 112 HE1 PHE 112 -1.082 0.925 0.360 842 HE2 PHE 112 HE2 PHE 112 2.691 2.825 -0.036 843 HZ PHE 112 HZ PHE 112 0.248 2.904 -0.203 844 H ILE 113 H ILE 113 1.941 -3.084 3.889 845 HA ILE 113 HA ILE 113 0.225 -1.301 5.096 846 HB ILE 113 HB ILE 113 0.996 -4.145 5.517 847 1HG1 ILE 113 1HG1 ILE 113 -1.830 -3.477 5.359 848 2HG1 ILE 113 2HG1 ILE 113 -0.937 -2.756 4.035 849 1HG2 ILE 113 1HG2 ILE 113 -0.730 -2.565 7.442 850 2HG2 ILE 113 2HG2 ILE 113 -0.648 -4.341 7.364 851 3HG2 ILE 113 3HG2 ILE 113 0.799 -3.402 7.802 852 1HD1 ILE 113 1HD1 ILE 113 0.200 -5.114 3.803 853 2HD1 ILE 113 2HD1 ILE 113 -1.176 -5.684 4.778 854 3HD1 ILE 113 3HD1 ILE 113 -1.463 -4.902 3.204 855 H ALA 114 H ALA 114 3.412 -2.556 6.160 856 HA ALA 114 HA ALA 114 3.251 -1.525 8.774 857 1HB ALA 114 1HB ALA 114 4.865 -3.175 8.501 858 2HB ALA 114 2HB ALA 114 5.869 -1.708 8.436 859 3HB ALA 114 3HB ALA 114 5.406 -2.537 6.931 860 H TYR 115 H TYR 115 5.112 -0.396 5.920 861 HA TYR 115 HA TYR 115 5.983 2.045 6.901 862 1HB TYR 115 1HB TYR 115 6.095 0.722 4.516 863 2HB TYR 115 2HB TYR 115 5.013 2.062 4.101 864 HD1 TYR 115 HD1 TYR 115 8.429 1.088 4.977 865 HD2 TYR 115 HD2 TYR 115 5.791 4.404 4.270 866 HE1 TYR 115 HE1 TYR 115 10.385 2.592 4.731 867 HE2 TYR 115 HE2 TYR 115 7.748 5.908 4.024 868 HH TYR 115 HH TYR 115 11.077 4.705 4.004 869 H LEU 116 H LEU 116 2.701 1.145 5.736 870 HA LEU 116 HA LEU 116 1.831 3.859 5.644 871 1HB LEU 116 1HB LEU 116 0.895 1.321 4.820 872 2HB LEU 116 2HB LEU 116 -0.309 1.965 5.919 873 HG LEU 116 HG LEU 116 -0.608 3.936 4.568 874 1HD1 LEU 116 1HD1 LEU 116 1.941 3.069 3.340 875 2HD1 LEU 116 2HD1 LEU 116 0.729 3.748 2.227 876 3HD1 LEU 116 3HD1 LEU 116 1.289 4.701 3.622 877 1HD2 LEU 116 1HD2 LEU 116 -1.653 1.658 3.935 878 2HD2 LEU 116 2HD2 LEU 116 -1.733 2.996 2.763 879 3HD2 LEU 116 3HD2 LEU 116 -0.530 1.700 2.555 880 H LEU 117 H LEU 117 1.687 1.140 8.002 881 HA LEU 117 HA LEU 117 0.311 2.882 9.880 882 1HB LEU 117 1HB LEU 117 -0.194 0.980 11.097 883 2HB LEU 117 2HB LEU 117 -0.338 0.479 9.424 884 HG LEU 117 HG LEU 117 2.244 -0.224 9.912 885 1HD1 LEU 117 1HD1 LEU 117 1.118 0.276 12.498 886 2HD1 LEU 117 2HD1 LEU 117 1.435 -1.467 12.325 887 3HD1 LEU 117 3HD1 LEU 117 2.749 -0.293 12.068 888 1HD2 LEU 117 1HD2 LEU 117 -0.208 -1.497 9.415 889 2HD2 LEU 117 2HD2 LEU 117 1.428 -2.183 9.265 890 3HD2 LEU 117 3HD2 LEU 117 0.520 -2.369 10.785 891 H THR 118 H THR 118 2.996 3.614 8.999 892 HA THR 118 HA THR 118 4.255 3.597 11.633 893 HB THR 118 HB THR 118 5.701 2.824 9.044 894 HG1 THR 118 HG1 THR 118 5.718 0.734 10.346 895 1HG2 THR 118 1HG2 THR 118 6.505 2.962 11.991 896 2HG2 THR 118 2HG2 THR 118 7.398 1.985 10.800 897 3HG2 THR 118 3HG2 THR 118 7.306 3.753 10.612 898 H GLU 119 H GLU 119 5.022 4.671 8.251 899 HA GLU 119 HA GLU 119 5.719 7.225 9.374 900 1HB GLU 119 1HB GLU 119 5.901 6.176 6.515 901 2HB GLU 119 2HB GLU 119 6.530 7.719 7.056 902 1HG GLU 119 1HG GLU 119 7.437 5.475 8.752 903 2HG GLU 119 2HG GLU 119 7.911 5.280 7.077 904 H THR 120 H THR 120 3.300 7.440 10.009 905 HA THR 120 HA THR 120 1.622 8.195 7.743 906 HB THR 120 HB THR 120 -0.162 8.162 9.471 907 HG1 THR 120 HG1 THR 120 0.526 7.960 11.661 908 1HG2 THR 120 1HG2 THR 120 1.707 5.869 9.127 909 2HG2 THR 120 2HG2 THR 120 0.757 5.812 10.631 910 3HG2 THR 120 3HG2 THR 120 -0.071 5.895 9.058 911 H LYS 121 H LYS 121 3.308 9.987 7.347 912 HA LYS 121 HA LYS 121 2.115 12.387 8.289 913 1HB LYS 121 1HB LYS 121 4.048 13.334 9.427 914 2HB LYS 121 2HB LYS 121 3.477 11.902 10.260 915 1HG LYS 121 1HG LYS 121 5.450 11.170 8.228 916 2HG LYS 121 2HG LYS 121 6.106 12.396 9.294 917 1HD LYS 121 1HD LYS 121 4.860 10.714 11.110 918 2HD LYS 121 2HD LYS 121 5.375 9.572 9.884 919 1HE LYS 121 1HE LYS 121 7.704 10.372 10.045 920 2HE LYS 121 2HE LYS 121 7.228 11.644 11.153 921 1HZ LYS 121 1HZ LYS 121 6.499 9.922 12.688 922 2HZ LYS 121 2HZ LYS 121 7.013 8.758 11.663 923 3HZ LYS 121 3HZ LYS 121 8.089 9.782 12.343 924 HA PRO 122 HA PRO 122 3.730 13.568 4.390 925 1HB PRO 122 1HB PRO 122 3.256 16.259 4.519 926 2HB PRO 122 2HB PRO 122 1.929 15.054 4.472 927 1HG PRO 122 1HG PRO 122 2.976 16.577 6.975 928 2HG PRO 122 2HG PRO 122 1.406 16.100 6.247 929 1HD PRO 122 1HD PRO 122 2.942 14.675 8.232 930 2HD PRO 122 2HD PRO 122 1.514 14.064 7.343 931 H THR 123 H THR 123 5.439 15.092 3.390 932 HA THR 123 HA THR 123 7.752 15.046 5.093 933 HB THR 123 HB THR 123 7.134 15.778 2.198 934 HG1 THR 123 HG1 THR 123 8.194 13.771 1.977 935 1HG2 THR 123 1HG2 THR 123 9.659 16.216 3.821 936 2HG2 THR 123 2HG2 THR 123 9.798 15.655 2.137 937 3HG2 THR 123 3HG2 THR 123 8.997 17.204 2.497 938 H LYS 124 H LYS 124 5.694 17.591 3.562 939 HA LYS 124 HA LYS 124 6.421 19.356 5.717 940 1HB LYS 124 1HB LYS 124 7.663 19.572 3.056 941 2HB LYS 124 2HB LYS 124 6.899 21.052 3.600 942 1HG LYS 124 1HG LYS 124 8.484 19.652 5.698 943 2HG LYS 124 2HG LYS 124 9.433 20.222 4.339 944 1HD LYS 124 1HD LYS 124 7.559 22.304 5.059 945 2HD LYS 124 2HD LYS 124 8.353 21.758 6.523 946 1HE LYS 124 1HE LYS 124 9.919 22.429 3.995 947 2HE LYS 124 2HE LYS 124 9.521 23.648 5.190 948 1HZ LYS 124 1HZ LYS 124 10.756 21.185 6.104 949 2HZ LYS 124 2HZ LYS 124 11.698 22.289 5.355 950 3HZ LYS 124 3HZ LYS 124 10.884 22.695 6.712 No H/Q in entry = 950 Start of MODEL 3 1 H1 ASP 1 H1 ASP 1 -7.546 1.977 17.451 2 H2 ASP 1 H2 ASP 1 -9.167 2.164 17.171 3 H3 ASP 1 H3 ASP 1 -8.555 0.665 17.514 4 HA ASP 1 HA ASP 1 -8.910 0.581 15.344 5 1HB ASP 1 1HB ASP 1 -7.328 3.024 14.641 6 2HB ASP 1 2HB ASP 1 -8.747 2.358 13.857 7 H VAL 2 H VAL 2 -7.103 0.463 13.421 8 HA VAL 2 HA VAL 2 -4.982 0.098 12.765 9 HB VAL 2 HB VAL 2 -4.011 0.259 15.609 10 1HG1 VAL 2 1HG1 VAL 2 -2.805 0.324 12.884 11 2HG1 VAL 2 2HG1 VAL 2 -2.079 1.380 14.120 12 3HG1 VAL 2 3HG1 VAL 2 -2.186 -0.375 14.399 13 1HG2 VAL 2 1HG2 VAL 2 -5.281 2.374 14.101 14 2HG2 VAL 2 2HG2 VAL 2 -4.635 2.396 15.760 15 3HG2 VAL 2 3HG2 VAL 2 -3.567 2.760 14.384 16 H THR 3 H THR 3 -6.676 -1.468 15.389 17 HA THR 3 HA THR 3 -5.200 -3.728 15.838 18 HB THR 3 HB THR 3 -8.222 -3.288 15.603 19 HG1 THR 3 HG1 THR 3 -7.755 -2.366 17.559 20 1HG2 THR 3 1HG2 THR 3 -6.584 -5.563 16.830 21 2HG2 THR 3 2HG2 THR 3 -8.263 -5.212 17.304 22 3HG2 THR 3 3HG2 THR 3 -7.895 -5.705 15.634 23 H ASN 4 H ASN 4 -7.088 -2.860 12.946 24 HA ASN 4 HA ASN 4 -6.971 -5.478 11.899 25 1HB ASN 4 1HB ASN 4 -7.273 -3.051 10.119 26 2HB ASN 4 2HB ASN 4 -8.134 -4.576 10.050 27 1HD2 ASN 4 2HD2 ASN 4 -8.660 -4.684 12.901 28 2HD2 ASN 4 1HD2 ASN 4 -9.917 -3.544 13.249 29 H ALA 5 H ALA 5 -5.244 -2.329 11.356 30 HA ALA 5 HA ALA 5 -3.609 -3.105 9.275 31 1HB ALA 5 1HB ALA 5 -2.839 -1.239 11.547 32 2HB ALA 5 2HB ALA 5 -2.306 -1.176 9.849 33 3HB ALA 5 3HB ALA 5 -3.993 -0.791 10.268 34 H GLU 6 H GLU 6 -3.182 -3.461 12.845 35 HA GLU 6 HA GLU 6 -0.606 -4.500 12.655 36 1HB GLU 6 1HB GLU 6 -2.612 -5.107 14.862 37 2HB GLU 6 2HB GLU 6 -0.865 -5.070 14.992 38 1HG GLU 6 1HG GLU 6 -1.444 -2.527 13.991 39 2HG GLU 6 2HG GLU 6 -2.804 -2.832 15.053 40 H LYS 7 H LYS 7 -3.870 -5.960 12.496 41 HA LYS 7 HA LYS 7 -3.069 -8.624 12.801 42 1HB LYS 7 1HB LYS 7 -5.400 -7.674 12.993 43 2HB LYS 7 2HB LYS 7 -5.450 -7.581 11.244 44 1HG LYS 7 1HG LYS 7 -6.319 -9.704 11.440 45 2HG LYS 7 2HG LYS 7 -4.627 -10.159 11.487 46 1HD LYS 7 1HD LYS 7 -4.738 -10.799 13.678 47 2HD LYS 7 2HD LYS 7 -5.634 -9.367 14.145 48 1HE LYS 7 1HE LYS 7 -7.550 -10.574 14.235 49 2HE LYS 7 2HE LYS 7 -7.397 -10.971 12.535 50 1HZ LYS 7 1HZ LYS 7 -5.817 -12.426 14.507 51 2HZ LYS 7 2HZ LYS 7 -7.378 -12.834 14.253 52 3HZ LYS 7 3HZ LYS 7 -6.304 -12.909 13.025 53 H LEU 8 H LEU 8 -3.636 -6.604 9.839 54 HA LEU 8 HA LEU 8 -3.053 -8.524 7.972 55 1HB LEU 8 1HB LEU 8 -2.560 -5.547 7.956 56 2HB LEU 8 2HB LEU 8 -2.368 -6.569 6.546 57 HG LEU 8 HG LEU 8 -4.843 -5.638 7.910 58 1HD1 LEU 8 1HD1 LEU 8 -3.629 -5.551 5.282 59 2HD1 LEU 8 2HD1 LEU 8 -5.298 -6.165 5.200 60 3HD1 LEU 8 3HD1 LEU 8 -4.966 -4.589 5.956 61 1HD2 LEU 8 1HD2 LEU 8 -4.603 -8.366 6.624 62 2HD2 LEU 8 2HD2 LEU 8 -5.185 -7.963 8.258 63 3HD2 LEU 8 3HD2 LEU 8 -6.148 -7.506 6.833 64 H VAL 9 H VAL 9 -0.783 -6.277 9.685 65 HA VAL 9 HA VAL 9 1.526 -7.059 8.411 66 HB VAL 9 HB VAL 9 1.166 -6.286 11.313 67 1HG1 VAL 9 1HG1 VAL 9 3.421 -7.200 10.591 68 2HG1 VAL 9 2HG1 VAL 9 3.557 -5.785 9.520 69 3HG1 VAL 9 3HG1 VAL 9 3.434 -5.559 11.281 70 1HG2 VAL 9 1HG2 VAL 9 0.379 -4.832 9.072 71 2HG2 VAL 9 2HG2 VAL 9 0.683 -4.188 10.703 72 3HG2 VAL 9 3HG2 VAL 9 1.977 -4.163 9.481 73 H TYR 10 H TYR 10 0.005 -8.374 11.370 74 HA TYR 10 HA TYR 10 1.927 -10.509 11.647 75 1HB TYR 10 1HB TYR 10 0.364 -9.358 13.398 76 2HB TYR 10 2HB TYR 10 -0.850 -10.512 12.819 77 HD1 TYR 10 HD1 TYR 10 -0.591 -12.916 13.206 78 HD2 TYR 10 HD2 TYR 10 2.295 -10.094 14.675 79 HE1 TYR 10 HE1 TYR 10 0.349 -14.656 14.701 80 HE2 TYR 10 HE2 TYR 10 3.236 -11.835 16.170 81 HH TYR 10 HH TYR 10 1.922 -15.160 16.275 82 H LYS 11 H LYS 11 -0.521 -9.976 9.345 83 HA LYS 11 HA LYS 11 -1.166 -12.820 9.189 84 1HB LYS 11 1HB LYS 11 -2.977 -11.063 9.164 85 2HB LYS 11 2HB LYS 11 -2.355 -10.517 7.620 86 1HG LYS 11 1HG LYS 11 -2.550 -13.283 7.254 87 2HG LYS 11 2HG LYS 11 -3.942 -12.932 8.259 88 1HD LYS 11 1HD LYS 11 -3.952 -10.847 6.368 89 2HD LYS 11 2HD LYS 11 -3.458 -12.245 5.434 90 1HE LYS 11 1HE LYS 11 -5.692 -12.829 7.292 91 2HE LYS 11 2HE LYS 11 -6.088 -11.592 6.115 92 1HZ LYS 11 1HZ LYS 11 -4.968 -14.230 5.464 93 2HZ LYS 11 2HZ LYS 11 -6.534 -13.800 5.292 94 3HZ LYS 11 3HZ LYS 11 -5.385 -13.082 4.380 95 H TYR 12 H TYR 12 -0.558 -10.237 6.787 96 HA TYR 12 HA TYR 12 0.375 -11.860 4.732 97 1HB TYR 12 1HB TYR 12 1.127 -9.026 5.510 98 2HB TYR 12 2HB TYR 12 1.591 -9.781 3.976 99 HD1 TYR 12 HD1 TYR 12 -0.132 -10.370 2.295 100 HD2 TYR 12 HD2 TYR 12 -1.115 -8.251 5.901 101 HE1 TYR 12 HE1 TYR 12 -2.303 -9.693 1.306 102 HE2 TYR 12 HE2 TYR 12 -3.286 -7.575 4.911 103 HH TYR 12 HH TYR 12 -4.840 -8.830 2.702 104 H THR 13 H THR 13 1.984 -10.988 7.763 105 HA THR 13 HA THR 13 4.624 -11.481 6.794 106 HB THR 13 HB THR 13 3.315 -11.210 9.543 107 HG1 THR 13 HG1 THR 13 5.059 -9.706 7.729 108 1HG2 THR 13 1HG2 THR 13 5.571 -12.619 9.402 109 2HG2 THR 13 2HG2 THR 13 6.302 -11.038 9.034 110 3HG2 THR 13 3HG2 THR 13 5.445 -11.286 10.575 111 H ASN 14 H ASN 14 2.081 -13.437 8.410 112 HA ASN 14 HA ASN 14 3.714 -15.620 8.891 113 1HB ASN 14 1HB ASN 14 0.839 -14.979 8.935 114 2HB ASN 14 2HB ASN 14 1.102 -16.619 8.377 115 1HD2 ASN 14 2HD2 ASN 14 0.629 -17.865 10.036 116 2HD2 ASN 14 1HD2 ASN 14 1.296 -17.764 11.632 117 H ILE 15 H ILE 15 1.342 -14.872 6.225 118 HA ILE 15 HA ILE 15 1.661 -17.156 4.742 119 HB ILE 15 HB ILE 15 0.943 -14.324 4.079 120 1HG1 ILE 15 1HG1 ILE 15 -0.958 -16.431 3.441 121 2HG1 ILE 15 2HG1 ILE 15 -0.445 -16.528 5.114 122 1HG2 ILE 15 1HG2 ILE 15 1.267 -16.604 2.117 123 2HG2 ILE 15 2HG2 ILE 15 0.281 -15.156 1.800 124 3HG2 ILE 15 3HG2 ILE 15 2.032 -14.997 2.074 125 1HD1 ILE 15 1HD1 ILE 15 -0.825 -13.901 5.099 126 2HD1 ILE 15 2HD1 ILE 15 -1.846 -14.264 3.687 127 3HD1 ILE 15 3HD1 ILE 15 -2.214 -15.001 5.264 128 H ALA 16 H ALA 16 3.573 -14.083 4.614 129 HA ALA 16 HA ALA 16 5.225 -14.769 2.521 130 1HB ALA 16 1HB ALA 16 6.049 -13.215 5.000 131 2HB ALA 16 2HB ALA 16 4.981 -12.548 3.742 132 3HB ALA 16 3HB ALA 16 6.648 -13.019 3.335 133 H HIS 17 H HIS 17 5.849 -15.198 6.082 134 HA HIS 17 HA HIS 17 8.209 -16.602 5.744 135 1HB HIS 17 1HB HIS 17 7.437 -15.546 7.841 136 2HB HIS 17 2HB HIS 17 6.197 -16.773 8.005 137 HD1 HIS 17 HD1 HIS 17 9.980 -16.377 8.078 138 HD2 HIS 17 HD2 HIS 17 7.035 -19.173 9.132 139 HE1 HIS 17 HE1 HIS 17 11.168 -18.198 9.413 140 H SER 18 H SER 18 4.809 -17.594 5.504 141 HA SER 18 HA SER 18 5.326 -20.341 5.752 142 1HB SER 18 1HB SER 18 3.090 -19.386 6.134 143 2HB SER 18 2HB SER 18 3.007 -18.826 4.476 144 HG SER 18 HG SER 18 2.121 -20.721 4.043 145 H ALA 19 H ALA 19 5.998 -18.025 3.298 146 HA ALA 19 HA ALA 19 5.951 -20.059 1.194 147 1HB ALA 19 1HB ALA 19 4.806 -17.938 0.717 148 2HB ALA 19 2HB ALA 19 6.246 -18.111 -0.316 149 3HB ALA 19 3HB ALA 19 6.290 -17.033 1.100 150 H ASN 20 H ASN 20 8.065 -17.720 2.947 151 HA ASN 20 HA ASN 20 10.291 -19.389 2.142 152 1HB ASN 20 1HB ASN 20 9.960 -16.419 1.657 153 2HB ASN 20 2HB ASN 20 11.561 -17.007 2.059 154 1HD2 ASN 20 2HD2 ASN 20 11.779 -19.389 0.899 155 2HD2 ASN 20 1HD2 ASN 20 11.630 -19.304 -0.825 156 HA PRO 21 HA PRO 21 10.933 -18.958 6.540 157 1HB PRO 21 1HB PRO 21 13.418 -20.147 6.625 158 2HB PRO 21 2HB PRO 21 11.900 -21.063 6.356 159 1HG PRO 21 1HG PRO 21 13.790 -20.032 4.487 160 2HG PRO 21 2HG PRO 21 13.181 -21.715 4.378 161 1HD PRO 21 1HD PRO 21 12.149 -19.864 2.751 162 2HD PRO 21 2HD PRO 21 11.014 -20.929 3.635 163 H MET 22 H MET 22 12.540 -17.293 3.983 164 HA MET 22 HA MET 22 14.580 -16.147 5.573 165 1HB MET 22 1HB MET 22 13.329 -15.184 2.939 166 2HB MET 22 2HB MET 22 14.883 -14.675 3.569 167 1HG MET 22 1HG MET 22 14.603 -17.626 3.364 168 2HG MET 22 2HG MET 22 14.480 -16.806 1.821 169 1HE MET 22 1HE MET 22 16.348 -17.710 0.795 170 2HE MET 22 2HE MET 22 18.066 -17.482 1.204 171 3HE MET 22 3HE MET 22 17.097 -18.695 2.075 172 H TYR 23 H TYR 23 11.363 -15.153 4.404 173 HA TYR 23 HA TYR 23 11.492 -12.551 5.698 174 1HB TYR 23 1HB TYR 23 10.195 -13.295 3.567 175 2HB TYR 23 2HB TYR 23 8.995 -13.926 4.707 176 HD1 TYR 23 HD1 TYR 23 7.720 -12.405 6.164 177 HD2 TYR 23 HD2 TYR 23 10.497 -10.919 3.243 178 HE1 TYR 23 HE1 TYR 23 6.721 -10.144 6.364 179 HE2 TYR 23 HE2 TYR 23 9.498 -8.658 3.444 180 HH TYR 23 HH TYR 23 7.950 -7.352 4.498 181 H GLU 24 H GLU 24 11.068 -12.147 7.850 182 HA GLU 24 HA GLU 24 9.444 -14.174 9.182 183 1HB GLU 24 1HB GLU 24 11.758 -12.560 10.345 184 2HB GLU 24 2HB GLU 24 10.750 -13.665 11.258 185 1HG GLU 24 1HG GLU 24 11.655 -15.084 8.927 186 2HG GLU 24 2HG GLU 24 13.050 -14.269 9.605 187 H ALA 25 H ALA 25 10.460 -10.707 9.061 188 HA ALA 25 HA ALA 25 7.791 -10.028 10.061 189 1HB ALA 25 1HB ALA 25 10.172 -8.393 10.899 190 2HB ALA 25 2HB ALA 25 8.607 -8.624 11.715 191 3HB ALA 25 3HB ALA 25 9.832 -9.914 11.758 192 HA PRO 26 HA PRO 26 7.757 -6.952 6.930 193 1HB PRO 26 1HB PRO 26 7.006 -4.762 8.764 194 2HB PRO 26 2HB PRO 26 6.001 -5.684 7.600 195 1HG PRO 26 1HG PRO 26 5.595 -6.104 10.448 196 2HG PRO 26 2HG PRO 26 5.371 -7.210 9.053 197 1HD PRO 26 1HD PRO 26 7.860 -6.793 10.817 198 2HD PRO 26 2HD PRO 26 6.972 -8.317 10.514 199 H SER 27 H SER 27 8.308 -4.209 6.830 200 HA SER 27 HA SER 27 10.719 -3.691 8.233 201 1HB SER 27 1HB SER 27 11.561 -5.174 6.418 202 2HB SER 27 2HB SER 27 10.841 -4.123 5.214 203 HG SER 27 HG SER 27 12.655 -2.994 7.123 204 H ILE 28 H ILE 28 11.580 -1.450 7.627 205 HA ILE 28 HA ILE 28 9.475 0.151 6.356 206 HB ILE 28 HB ILE 28 9.847 1.890 8.023 207 1HG1 ILE 28 1HG1 ILE 28 11.361 -0.014 9.777 208 2HG1 ILE 28 2HG1 ILE 28 12.234 0.877 8.546 209 1HG2 ILE 28 1HG2 ILE 28 8.047 0.191 8.279 210 2HG2 ILE 28 2HG2 ILE 28 9.134 -0.747 9.332 211 3HG2 ILE 28 3HG2 ILE 28 8.609 0.882 9.820 212 1HD1 ILE 28 1HD1 ILE 28 11.180 3.014 9.445 213 2HD1 ILE 28 2HD1 ILE 28 10.528 2.044 10.787 214 3HD1 ILE 28 3HD1 ILE 28 12.288 2.200 10.575 215 H THR 29 H THR 29 11.366 -0.741 4.713 216 HA THR 29 HA THR 29 12.775 1.641 4.023 217 HB THR 29 HB THR 29 14.251 -0.753 5.208 218 HG1 THR 29 HG1 THR 29 15.157 1.110 6.384 219 1HG2 THR 29 1HG2 THR 29 15.092 1.115 3.043 220 2HG2 THR 29 2HG2 THR 29 16.183 1.088 4.450 221 3HG2 THR 29 3HG2 THR 29 15.835 -0.417 3.564 222 H ASP 30 H ASP 30 10.702 0.001 2.876 223 HA ASP 30 HA ASP 30 12.133 -0.656 0.452 224 1HB ASP 30 1HB ASP 30 11.073 -2.626 2.208 225 2HB ASP 30 2HB ASP 30 9.912 -2.514 0.901 226 H GLY 31 H GLY 31 8.940 -0.450 2.184 227 1HA GLY 31 1HA GLY 31 7.103 0.784 1.675 228 2HA GLY 31 2HA GLY 31 7.122 -0.219 0.238 229 H LYS 32 H LYS 32 9.189 2.545 1.399 230 HA LYS 32 HA LYS 32 8.224 4.495 -0.223 231 1HB LYS 32 1HB LYS 32 10.675 5.355 -0.118 232 2HB LYS 32 2HB LYS 32 9.744 5.208 1.359 233 1HG LYS 32 1HG LYS 32 11.233 3.724 2.207 234 2HG LYS 32 2HG LYS 32 11.012 2.660 0.833 235 1HD LYS 32 1HD LYS 32 13.188 3.140 0.340 236 2HD LYS 32 2HD LYS 32 12.568 4.653 -0.289 237 1HE LYS 32 1HE LYS 32 13.053 5.830 1.761 238 2HE LYS 32 2HE LYS 32 13.297 4.340 2.651 239 1HZ LYS 32 1HZ LYS 32 14.991 5.199 0.410 240 2HZ LYS 32 2HZ LYS 32 15.358 5.436 1.983 241 3HZ LYS 32 3HZ LYS 32 15.251 3.918 1.389 242 H ILE 33 H ILE 33 11.303 2.760 -1.044 243 HA ILE 33 HA ILE 33 11.428 3.512 -3.644 244 HB ILE 33 HB ILE 33 12.276 0.948 -2.305 245 1HG1 ILE 33 1HG1 ILE 33 14.150 3.093 -3.209 246 2HG1 ILE 33 2HG1 ILE 33 13.178 3.405 -1.785 247 1HG2 ILE 33 1HG2 ILE 33 12.303 1.658 -5.141 248 2HG2 ILE 33 2HG2 ILE 33 13.917 1.267 -4.500 249 3HG2 ILE 33 3HG2 ILE 33 12.588 0.093 -4.341 250 1HD1 ILE 33 1HD1 ILE 33 14.036 0.821 -1.292 251 2HD1 ILE 33 2HD1 ILE 33 15.431 1.514 -2.154 252 3HD1 ILE 33 3HD1 ILE 33 14.827 2.288 -0.669 253 H PHE 34 H PHE 34 9.912 0.434 -2.434 254 HA PHE 34 HA PHE 34 8.929 -0.402 -4.856 255 1HB PHE 34 1HB PHE 34 8.900 -1.801 -2.846 256 2HB PHE 34 2HB PHE 34 8.004 -0.597 -1.941 257 HD1 PHE 34 HD1 PHE 34 5.781 -1.037 -1.558 258 HD2 PHE 34 HD2 PHE 34 7.582 -2.620 -5.058 259 HE1 PHE 34 HE1 PHE 34 3.633 -2.199 -2.138 260 HE2 PHE 34 HE2 PHE 34 5.434 -3.782 -5.638 261 HZ PHE 34 HZ PHE 34 3.485 -3.557 -4.171 262 H PHE 35 H PHE 35 7.971 2.346 -2.948 263 HA PHE 35 HA PHE 35 5.433 2.478 -4.412 264 1HB PHE 35 1HB PHE 35 5.293 2.516 -1.919 265 2HB PHE 35 2HB PHE 35 6.522 3.763 -1.839 266 HD1 PHE 35 HD1 PHE 35 3.081 3.116 -3.087 267 HD2 PHE 35 HD2 PHE 35 5.912 6.018 -1.835 268 HE1 PHE 35 HE1 PHE 35 1.295 4.879 -3.136 269 HE2 PHE 35 HE2 PHE 35 4.127 7.781 -1.883 270 HZ PHE 35 HZ PHE 35 1.839 7.191 -2.533 271 H ASN 36 H ASN 36 8.565 3.447 -4.735 272 HA ASN 36 HA ASN 36 7.700 5.872 -6.064 273 1HB ASN 36 1HB ASN 36 10.066 5.621 -4.139 274 2HB ASN 36 2HB ASN 36 9.905 6.955 -5.264 275 1HD2 ASN 36 2HD2 ASN 36 10.060 7.609 -2.724 276 2HD2 ASN 36 1HD2 ASN 36 8.544 8.113 -2.055 277 H ARG 37 H ARG 37 8.404 3.056 -6.878 278 HA ARG 37 HA ARG 37 10.929 3.553 -8.223 279 1HB ARG 37 1HB ARG 37 10.606 1.452 -6.771 280 2HB ARG 37 2HB ARG 37 9.444 0.894 -7.958 281 1HG ARG 37 1HG ARG 37 11.104 0.736 -9.684 282 2HG ARG 37 2HG ARG 37 12.247 1.723 -8.795 283 1HD ARG 37 1HD ARG 37 12.234 -0.143 -6.991 284 2HD ARG 37 2HD ARG 37 11.381 -1.131 -8.160 285 HE ARG 37 HE ARG 37 13.347 -1.300 -9.457 286 1HH1 ARG 37 1HH1 ARG 37 15.602 -1.114 -9.774 287 2HH1 ARG 37 2HH1 ARG 37 16.528 -0.028 -8.793 288 1HH2 ARG 37 1HH2 ARG 37 13.768 1.098 -6.916 289 2HH2 ARG 37 2HH2 ARG 37 15.477 1.239 -7.157 290 H LYS 38 H LYS 38 10.170 4.793 -10.021 291 HA LYS 38 HA LYS 38 7.898 4.462 -11.447 292 1HB LYS 38 1HB LYS 38 9.322 6.320 -11.863 293 2HB LYS 38 2HB LYS 38 10.671 5.297 -12.313 294 1HG LYS 38 1HG LYS 38 9.248 4.431 -14.259 295 2HG LYS 38 2HG LYS 38 8.062 5.657 -13.856 296 1HD LYS 38 1HD LYS 38 10.985 6.231 -14.538 297 2HD LYS 38 2HD LYS 38 9.654 6.379 -15.669 298 1HE LYS 38 1HE LYS 38 9.960 7.954 -13.067 299 2HE LYS 38 2HE LYS 38 10.236 8.584 -14.679 300 1HZ LYS 38 1HZ LYS 38 7.835 7.758 -15.047 301 2HZ LYS 38 2HZ LYS 38 7.722 7.852 -13.420 302 3HZ LYS 38 3HZ LYS 38 8.094 9.183 -14.292 303 H PHE 39 H PHE 39 7.114 2.387 -11.765 304 HA PHE 39 HA PHE 39 8.879 0.566 -13.225 305 1HB PHE 39 1HB PHE 39 7.110 -1.106 -12.452 306 2HB PHE 39 2HB PHE 39 7.886 -0.278 -11.117 307 HD1 PHE 39 HD1 PHE 39 4.825 -0.339 -13.194 308 HD2 PHE 39 HD2 PHE 39 6.631 1.041 -9.611 309 HE1 PHE 39 HE1 PHE 39 2.579 0.395 -12.345 310 HE2 PHE 39 HE2 PHE 39 4.386 1.776 -8.762 311 HZ PHE 39 HZ PHE 39 2.387 1.444 -10.139 312 H LYS 40 H LYS 40 7.793 -0.829 -14.926 313 HA LYS 40 HA LYS 40 5.869 0.827 -16.400 314 1HB LYS 40 1HB LYS 40 6.787 -0.083 -18.428 315 2HB LYS 40 2HB LYS 40 8.092 0.572 -17.459 316 1HG LYS 40 1HG LYS 40 9.130 -1.440 -17.534 317 2HG LYS 40 2HG LYS 40 7.804 -2.141 -16.627 318 1HD LYS 40 1HD LYS 40 6.566 -2.605 -18.719 319 2HD LYS 40 2HD LYS 40 7.804 -1.801 -19.663 320 1HE LYS 40 1HE LYS 40 9.480 -3.508 -18.696 321 2HE LYS 40 2HE LYS 40 8.099 -4.377 -18.055 322 1HZ LYS 40 1HZ LYS 40 7.688 -3.730 -20.758 323 2HZ LYS 40 2HZ LYS 40 9.097 -4.538 -20.586 324 3HZ LYS 40 3HZ LYS 40 7.705 -5.199 -20.044 325 H THR 41 H THR 41 3.905 -0.030 -16.987 326 HA THR 41 HA THR 41 3.243 -2.578 -15.778 327 HB THR 41 HB THR 41 0.970 -1.837 -16.141 328 HG1 THR 41 HG1 THR 41 0.816 0.141 -17.637 329 1HG2 THR 41 1HG2 THR 41 2.821 -0.070 -14.916 330 2HG2 THR 41 2HG2 THR 41 1.883 0.952 -16.031 331 3HG2 THR 41 3HG2 THR 41 1.048 0.001 -14.780 332 HA PRO 42 HA PRO 42 3.509 -5.231 -19.180 333 1HB PRO 42 1HB PRO 42 1.139 -6.663 -18.897 334 2HB PRO 42 2HB PRO 42 2.580 -6.873 -17.849 335 1HG PRO 42 1HG PRO 42 -0.031 -5.174 -16.826 336 2HG PRO 42 2HG PRO 42 1.133 -6.504 -16.521 337 1HD PRO 42 1HD PRO 42 1.491 -3.698 -15.984 338 2HD PRO 42 2HD PRO 42 2.759 -4.960 -15.938 339 H SER 43 H SER 43 1.064 -2.778 -18.882 340 HA SER 43 HA SER 43 0.071 -3.431 -21.533 341 1HB SER 43 1HB SER 43 -1.904 -2.411 -20.957 342 2HB SER 43 2HB SER 43 -1.355 -2.776 -19.333 343 HG SER 43 HG SER 43 -2.072 -0.486 -19.822 344 H GLY 44 H GLY 44 2.779 -2.434 -21.194 345 1HA GLY 44 1HA GLY 44 3.052 -0.586 -23.143 346 2HA GLY 44 2HA GLY 44 4.167 -0.756 -21.801 347 H LYS 45 H LYS 45 3.733 0.502 -19.776 348 HA LYS 45 HA LYS 45 3.192 3.170 -20.371 349 1HB LYS 45 1HB LYS 45 0.870 2.593 -20.558 350 2HB LYS 45 2HB LYS 45 0.903 1.680 -19.063 351 1HG LYS 45 1HG LYS 45 1.763 4.561 -18.929 352 2HG LYS 45 2HG LYS 45 0.056 4.248 -19.174 353 1HD LYS 45 1HD LYS 45 1.421 2.646 -17.030 354 2HD LYS 45 2HD LYS 45 1.196 4.354 -16.708 355 1HE LYS 45 1HE LYS 45 -1.213 4.184 -17.010 356 2HE LYS 45 2HE LYS 45 -1.082 2.562 -17.660 357 1HZ LYS 45 1HZ LYS 45 0.155 2.509 -15.216 358 2HZ LYS 45 2HZ LYS 45 -1.219 3.360 -14.983 359 3HZ LYS 45 3HZ LYS 45 -1.288 1.851 -15.603 360 H GLU 46 H GLU 46 4.487 4.250 -18.986 361 HA GLU 46 HA GLU 46 5.447 2.814 -16.708 362 1HB GLU 46 1HB GLU 46 6.683 4.488 -18.417 363 2HB GLU 46 2HB GLU 46 6.197 5.680 -17.229 364 1HG GLU 46 1HG GLU 46 7.464 4.663 -15.492 365 2HG GLU 46 2HG GLU 46 7.543 3.120 -16.318 366 H ALA 47 H ALA 47 4.703 3.021 -14.633 367 HA ALA 47 HA ALA 47 3.275 5.479 -13.950 368 1HB ALA 47 1HB ALA 47 2.249 2.675 -13.359 369 2HB ALA 47 2HB ALA 47 1.455 4.215 -12.951 370 3HB ALA 47 3HB ALA 47 1.626 3.725 -14.654 371 H ALA 48 H ALA 48 2.644 4.985 -11.342 372 HA ALA 48 HA ALA 48 4.688 3.605 -9.948 373 1HB ALA 48 1HB ALA 48 4.973 6.557 -10.465 374 2HB ALA 48 2HB ALA 48 6.223 5.292 -10.384 375 3HB ALA 48 3HB ALA 48 5.476 5.902 -8.888 376 H CYS 49 H CYS 49 4.322 3.707 -7.603 377 HA CYS 49 HA CYS 49 1.568 3.922 -7.039 378 1HB CYS 49 1HB CYS 49 3.849 3.636 -5.075 379 2HB CYS 49 2HB CYS 49 2.160 3.265 -4.792 380 H ALA 50 H ALA 50 4.035 6.223 -7.406 381 HA ALA 50 HA ALA 50 2.819 8.034 -5.442 382 1HB ALA 50 1HB ALA 50 5.153 7.844 -5.042 383 2HB ALA 50 2HB ALA 50 4.966 9.365 -5.946 384 3HB ALA 50 3HB ALA 50 5.539 7.900 -6.778 385 H SER 51 H SER 51 2.371 7.079 -8.551 386 HA SER 51 HA SER 51 2.382 9.664 -9.765 387 1HB SER 51 1HB SER 51 2.230 6.900 -10.630 388 2HB SER 51 2HB SER 51 0.899 7.791 -11.342 389 HG SER 51 HG SER 51 2.446 8.280 -12.783 390 H CYS 52 H CYS 52 0.274 7.795 -7.767 391 HA CYS 52 HA CYS 52 -1.952 9.533 -8.545 392 1HB CYS 52 1HB CYS 52 -1.957 6.572 -7.999 393 2HB CYS 52 2HB CYS 52 -3.381 7.526 -7.633 394 H HIS 53 H HIS 53 -0.292 7.578 -6.103 395 HA HIS 53 HA HIS 53 -1.647 9.040 -3.891 396 1HB HIS 53 1HB HIS 53 0.268 6.644 -3.810 397 2HB HIS 53 2HB HIS 53 -0.736 7.302 -2.447 398 HD1 HIS 53 HD1 HIS 53 -3.432 7.290 -3.216 399 HD2 HIS 53 HD2 HIS 53 -0.870 4.408 -4.829 400 HE1 HIS 53 HE1 HIS 53 -4.936 5.348 -3.998 401 H THR 54 H THR 54 0.540 10.105 -5.851 402 HA THR 54 HA THR 54 2.413 11.318 -5.760 403 HB THR 54 HB THR 54 2.434 12.928 -3.817 404 HG1 THR 54 HG1 THR 54 1.763 11.604 -2.094 405 1HG2 THR 54 1HG2 THR 54 -0.351 12.224 -4.882 406 2HG2 THR 54 2HG2 THR 54 0.035 13.710 -3.983 407 3HG2 THR 54 3HG2 THR 54 0.767 13.420 -5.579 408 H ASN 55 H ASN 55 4.510 11.844 -4.484 409 HA ASN 55 HA ASN 55 5.852 9.524 -4.155 410 1HB ASN 55 1HB ASN 55 7.573 10.930 -2.924 411 2HB ASN 55 2HB ASN 55 7.022 11.660 -4.419 412 1HD2 ASN 55 2HD2 ASN 55 5.931 13.542 -4.415 413 2HD2 ASN 55 1HD2 ASN 55 5.591 14.495 -3.009 414 H ASN 56 H ASN 56 3.714 11.242 -1.934 415 HA ASN 56 HA ASN 56 4.385 9.276 0.108 416 1HB ASN 56 1HB ASN 56 4.934 11.937 0.416 417 2HB ASN 56 2HB ASN 56 3.267 11.943 0.955 418 1HD2 ASN 56 2HD2 ASN 56 3.510 12.225 3.076 419 2HD2 ASN 56 1HD2 ASN 56 4.331 11.148 4.156 420 HA PRO 57 HA PRO 57 0.017 8.470 -0.426 421 1HB PRO 57 1HB PRO 57 -0.244 6.594 1.535 422 2HB PRO 57 2HB PRO 57 0.702 6.280 0.043 423 1HG PRO 57 1HG PRO 57 1.933 7.086 2.758 424 2HG PRO 57 2HG PRO 57 2.233 5.780 1.566 425 1HD PRO 57 1HD PRO 57 3.571 8.232 1.592 426 2HD PRO 57 2HD PRO 57 3.308 7.269 0.106 427 H ALA 58 H ALA 58 1.445 9.070 2.882 428 HA ALA 58 HA ALA 58 -0.930 9.666 4.155 429 1HB ALA 58 1HB ALA 58 1.561 11.212 4.799 430 2HB ALA 58 2HB ALA 58 1.615 9.438 4.928 431 3HB ALA 58 3HB ALA 58 0.433 10.364 5.884 432 H ASN 59 H ASN 59 0.712 11.339 1.593 433 HA ASN 59 HA ASN 59 -0.399 13.879 2.296 434 1HB ASN 59 1HB ASN 59 1.841 13.297 0.962 435 2HB ASN 59 2HB ASN 59 0.775 13.206 -0.426 436 1HD2 ASN 59 2HD2 ASN 59 2.914 15.080 0.190 437 2HD2 ASN 59 1HD2 ASN 59 2.237 16.674 0.162 438 H VAL 60 H VAL 60 -1.506 15.029 0.156 439 HA VAL 60 HA VAL 60 -3.857 13.470 -0.341 440 HB VAL 60 HB VAL 60 -2.931 16.236 -1.115 441 1HG1 VAL 60 1HG1 VAL 60 -5.226 14.642 -2.126 442 2HG1 VAL 60 2HG1 VAL 60 -5.583 16.315 -1.636 443 3HG1 VAL 60 3HG1 VAL 60 -4.345 15.995 -2.875 444 1HG2 VAL 60 1HG2 VAL 60 -4.141 15.143 1.216 445 2HG2 VAL 60 2HG2 VAL 60 -3.792 16.849 0.847 446 3HG2 VAL 60 3HG2 VAL 60 -5.365 16.145 0.401 447 H GLY 61 H GLY 61 -4.223 12.142 -2.043 448 1HA GLY 61 1HA GLY 61 -3.453 10.854 -3.803 449 2HA GLY 61 2HA GLY 61 -2.198 12.028 -4.143 450 H LYS 62 H LYS 62 -3.627 11.059 -6.285 451 HA LYS 62 HA LYS 62 -5.983 12.289 -6.949 452 1HB LYS 62 1HB LYS 62 -5.350 14.469 -6.903 453 2HB LYS 62 2HB LYS 62 -3.652 14.111 -7.144 454 1HG LYS 62 1HG LYS 62 -4.027 13.677 -9.538 455 2HG LYS 62 2HG LYS 62 -5.760 13.842 -9.338 456 1HD LYS 62 1HD LYS 62 -5.086 15.957 -10.184 457 2HD LYS 62 2HD LYS 62 -5.278 16.239 -8.465 458 1HE LYS 62 1HE LYS 62 -2.669 15.505 -8.446 459 2HE LYS 62 2HE LYS 62 -2.753 16.088 -10.097 460 1HZ LYS 62 1HZ LYS 62 -3.923 17.743 -8.025 461 2HZ LYS 62 2HZ LYS 62 -2.294 17.686 -8.119 462 3HZ LYS 62 3HZ LYS 62 -3.169 18.185 -9.405 463 H ASN 63 H ASN 63 -6.701 11.307 -8.793 464 HA ASN 63 HA ASN 63 -4.854 9.538 -10.043 465 1HB ASN 63 1HB ASN 63 -7.803 9.954 -9.962 466 2HB ASN 63 2HB ASN 63 -7.222 9.420 -11.527 467 1HD2 ASN 63 2HD2 ASN 63 -8.605 7.571 -10.863 468 2HD2 ASN 63 1HD2 ASN 63 -7.876 6.262 -9.994 469 H ILE 64 H ILE 64 -3.947 9.817 -12.130 470 HA ILE 64 HA ILE 64 -4.273 12.432 -13.302 471 HB ILE 64 HB ILE 64 -2.365 11.940 -14.556 472 1HG1 ILE 64 1HG1 ILE 64 -2.820 9.009 -13.927 473 2HG1 ILE 64 2HG1 ILE 64 -3.038 9.790 -15.481 474 1HG2 ILE 64 1HG2 ILE 64 -2.311 11.870 -11.854 475 2HG2 ILE 64 2HG2 ILE 64 -1.538 10.311 -12.229 476 3HG2 ILE 64 3HG2 ILE 64 -0.860 11.821 -12.884 477 1HD1 ILE 64 1HD1 ILE 64 -0.508 10.545 -15.130 478 2HD1 ILE 64 2HD1 ILE 64 -0.478 9.158 -14.015 479 3HD1 ILE 64 3HD1 ILE 64 -0.887 8.912 -15.730 480 H VAL 65 H VAL 65 -6.240 9.867 -13.307 481 HA VAL 65 HA VAL 65 -6.589 9.585 -16.159 482 HB VAL 65 HB VAL 65 -7.996 8.460 -13.735 483 1HG1 VAL 65 1HG1 VAL 65 -9.089 8.766 -16.314 484 2HG1 VAL 65 2HG1 VAL 65 -8.592 7.061 -16.197 485 3HG1 VAL 65 3HG1 VAL 65 -9.702 7.750 -14.988 486 1HG2 VAL 65 1HG2 VAL 65 -5.602 7.735 -14.524 487 2HG2 VAL 65 2HG2 VAL 65 -6.806 6.502 -14.082 488 3HG2 VAL 65 3HG2 VAL 65 -6.494 6.866 -15.795 489 H THR 66 H THR 66 -8.392 10.940 -13.320 490 HA THR 66 HA THR 66 -10.066 12.402 -15.252 491 HB THR 66 HB THR 66 -11.698 12.476 -13.356 492 HG1 THR 66 HG1 THR 66 -10.971 11.214 -11.438 493 1HG2 THR 66 1HG2 THR 66 -11.691 10.401 -14.819 494 2HG2 THR 66 2HG2 THR 66 -10.543 9.657 -13.680 495 3HG2 THR 66 3HG2 THR 66 -12.189 10.068 -13.143 496 H GLY 67 H GLY 67 -7.829 12.661 -12.499 497 1HA GLY 67 1HA GLY 67 -7.525 15.493 -13.098 498 2HA GLY 67 2HA GLY 67 -6.515 14.500 -12.066 499 H LYS 68 H LYS 68 -8.429 13.332 -10.327 500 HA LYS 68 HA LYS 68 -9.813 15.624 -9.162 501 1HB LYS 68 1HB LYS 68 -10.545 12.945 -9.573 502 2HB LYS 68 2HB LYS 68 -10.260 13.071 -7.849 503 1HG LYS 68 1HG LYS 68 -12.321 14.007 -7.677 504 2HG LYS 68 2HG LYS 68 -11.649 15.437 -8.434 505 1HD LYS 68 1HD LYS 68 -12.741 15.050 -10.403 506 2HD LYS 68 2HD LYS 68 -12.308 13.352 -10.413 507 1HE LYS 68 1HE LYS 68 -14.362 12.754 -9.648 508 2HE LYS 68 2HE LYS 68 -14.227 13.838 -8.278 509 1HZ LYS 68 1HZ LYS 68 -14.873 15.644 -9.788 510 2HZ LYS 68 2HZ LYS 68 -15.125 14.556 -10.980 511 3HZ LYS 68 3HZ LYS 68 -16.036 14.508 -9.626 512 H GLU 69 H GLU 69 -9.870 14.578 -6.466 513 HA GLU 69 HA GLU 69 -7.040 14.677 -5.795 514 1HB GLU 69 1HB GLU 69 -7.741 16.152 -3.803 515 2HB GLU 69 2HB GLU 69 -7.705 16.919 -5.378 516 1HG GLU 69 1HG GLU 69 -10.237 15.716 -4.171 517 2HG GLU 69 2HG GLU 69 -9.788 17.398 -3.967 518 H ILE 70 H ILE 70 -6.757 12.592 -5.049 519 HA ILE 70 HA ILE 70 -8.847 11.361 -3.489 520 HB ILE 70 HB ILE 70 -6.146 10.419 -4.446 521 1HG1 ILE 70 1HG1 ILE 70 -8.222 10.830 -6.016 522 2HG1 ILE 70 2HG1 ILE 70 -7.201 9.419 -6.209 523 1HG2 ILE 70 1HG2 ILE 70 -8.260 8.961 -2.845 524 2HG2 ILE 70 2HG2 ILE 70 -6.949 8.153 -3.736 525 3HG2 ILE 70 3HG2 ILE 70 -6.564 9.263 -2.400 526 1HD1 ILE 70 1HD1 ILE 70 -9.753 9.445 -4.535 527 2HD1 ILE 70 2HD1 ILE 70 -9.666 8.887 -6.223 528 3HD1 ILE 70 3HD1 ILE 70 -8.767 8.023 -4.953 529 HA PRO 71 HA PRO 71 -7.501 13.215 0.293 530 1HB PRO 71 1HB PRO 71 -9.056 10.852 1.353 531 2HB PRO 71 2HB PRO 71 -9.197 12.603 1.717 532 1HG PRO 71 1HG PRO 71 -10.896 11.314 0.212 533 2HG PRO 71 2HG PRO 71 -10.581 13.055 -0.081 534 1HD PRO 71 1HD PRO 71 -9.738 10.630 -1.643 535 2HD PRO 71 2HD PRO 71 -9.884 12.330 -2.183 536 HA PRO 72 HA PRO 72 -3.993 11.113 1.854 537 1HB PRO 72 1HB PRO 72 -4.923 10.464 4.497 538 2HB PRO 72 2HB PRO 72 -4.015 11.921 3.977 539 1HG PRO 72 1HG PRO 72 -6.891 11.492 4.256 540 2HG PRO 72 2HG PRO 72 -6.255 13.101 4.730 541 1HD PRO 72 1HD PRO 72 -7.438 13.030 2.419 542 2HD PRO 72 2HD PRO 72 -5.734 13.571 2.348 543 H LEU 73 H LEU 73 -3.393 9.013 1.319 544 HA LEU 73 HA LEU 73 -5.462 7.012 1.300 545 1HB LEU 73 1HB LEU 73 -4.073 7.103 -0.602 546 2HB LEU 73 2HB LEU 73 -2.607 7.129 0.359 547 HG LEU 73 HG LEU 73 -3.507 4.749 1.155 548 1HD1 LEU 73 1HD1 LEU 73 -5.455 5.376 -0.703 549 2HD1 LEU 73 2HD1 LEU 73 -4.355 4.304 -1.604 550 3HD1 LEU 73 3HD1 LEU 73 -5.079 3.754 -0.073 551 1HD2 LEU 73 1HD2 LEU 73 -1.346 5.349 0.008 552 2HD2 LEU 73 2HD2 LEU 73 -1.991 3.733 -0.367 553 3HD2 LEU 73 3HD2 LEU 73 -2.172 5.058 -1.541 554 H ALA 74 H ALA 74 -2.602 7.926 3.220 555 HA ALA 74 HA ALA 74 -1.933 5.724 4.555 556 1HB ALA 74 1HB ALA 74 -0.873 7.755 5.127 557 2HB ALA 74 2HB ALA 74 -2.415 8.557 5.512 558 3HB ALA 74 3HB ALA 74 -1.765 7.307 6.601 559 HA PRO 75 HA PRO 75 -6.052 4.339 5.788 560 1HB PRO 75 1HB PRO 75 -4.460 1.866 6.353 561 2HB PRO 75 2HB PRO 75 -5.891 2.117 5.301 562 1HG PRO 75 1HG PRO 75 -3.391 1.696 4.253 563 2HG PRO 75 2HG PRO 75 -4.676 2.702 3.507 564 1HD PRO 75 1HD PRO 75 -2.263 3.517 5.197 565 2HD PRO 75 2HD PRO 75 -2.911 4.285 3.716 566 H ARG 76 H ARG 76 -2.954 4.634 7.454 567 HA ARG 76 HA ARG 76 -4.184 3.847 9.936 568 1HB ARG 76 1HB ARG 76 -1.831 3.134 9.375 569 2HB ARG 76 2HB ARG 76 -1.339 4.816 9.354 570 1HG ARG 76 1HG ARG 76 -2.773 4.226 11.830 571 2HG ARG 76 2HG ARG 76 -1.463 3.082 11.609 572 1HD ARG 76 1HD ARG 76 0.064 4.660 12.189 573 2HD ARG 76 2HD ARG 76 -0.483 5.710 10.897 574 HE ARG 76 HE ARG 76 -2.204 5.682 13.296 575 1HH1 ARG 76 1HH1 ARG 76 -2.430 7.656 14.425 576 2HH1 ARG 76 2HH1 ARG 76 -1.375 8.983 14.068 577 1HH2 ARG 76 1HH2 ARG 76 0.438 7.259 11.588 578 2HH2 ARG 76 2HH2 ARG 76 0.267 8.755 12.444 579 H VAL 77 H VAL 77 -2.639 6.703 8.332 580 HA VAL 77 HA VAL 77 -2.792 8.483 10.430 581 HB VAL 77 HB VAL 77 -2.873 8.747 7.437 582 1HG1 VAL 77 1HG1 VAL 77 -2.954 11.010 9.460 583 2HG1 VAL 77 2HG1 VAL 77 -2.548 11.204 7.737 584 3HG1 VAL 77 3HG1 VAL 77 -4.167 10.636 8.212 585 1HG2 VAL 77 1HG2 VAL 77 -0.808 8.144 9.010 586 2HG2 VAL 77 2HG2 VAL 77 -0.627 9.179 7.574 587 3HG2 VAL 77 3HG2 VAL 77 -0.750 9.913 9.190 588 H ASN 78 H ASN 78 -5.277 7.493 8.018 589 HA ASN 78 HA ASN 78 -7.142 9.301 9.262 590 1HB ASN 78 1HB ASN 78 -7.795 7.299 7.060 591 2HB ASN 78 2HB ASN 78 -8.585 8.827 7.393 592 1HD2 ASN 78 2HD2 ASN 78 -7.975 8.546 4.910 593 2HD2 ASN 78 1HD2 ASN 78 -6.569 9.427 4.413 594 H THR 79 H THR 79 -8.805 8.573 10.658 595 HA THR 79 HA THR 79 -8.623 5.834 11.554 596 HB THR 79 HB THR 79 -9.982 6.649 13.383 597 HG1 THR 79 HG1 THR 79 -10.381 9.006 11.690 598 1HG2 THR 79 1HG2 THR 79 -7.644 7.799 13.109 599 2HG2 THR 79 2HG2 THR 79 -8.561 9.197 12.498 600 3HG2 THR 79 3HG2 THR 79 -8.835 8.608 14.155 601 H LYS 80 H LYS 80 -10.187 7.389 9.001 602 HA LYS 80 HA LYS 80 -12.451 5.533 9.157 603 1HB LYS 80 1HB LYS 80 -13.550 6.999 7.549 604 2HB LYS 80 2HB LYS 80 -13.066 7.889 8.978 605 1HG LYS 80 1HG LYS 80 -10.825 8.073 7.273 606 2HG LYS 80 2HG LYS 80 -12.193 8.229 6.189 607 1HD LYS 80 1HD LYS 80 -12.375 10.394 6.838 608 2HD LYS 80 2HD LYS 80 -12.894 9.824 8.412 609 1HE LYS 80 1HE LYS 80 -10.171 9.514 8.658 610 2HE LYS 80 2HE LYS 80 -10.230 10.880 7.561 611 1HZ LYS 80 1HZ LYS 80 -11.835 10.809 10.010 612 2HZ LYS 80 2HZ LYS 80 -10.304 11.378 9.998 613 3HZ LYS 80 3HZ LYS 80 -11.454 12.106 9.094 614 H ARG 81 H ARG 81 -9.978 4.362 8.647 615 HA ARG 81 HA ARG 81 -10.439 3.558 5.919 616 1HB ARG 81 1HB ARG 81 -7.765 4.549 7.009 617 2HB ARG 81 2HB ARG 81 -7.865 3.539 5.581 618 1HG ARG 81 1HG ARG 81 -9.602 6.008 5.717 619 2HG ARG 81 2HG ARG 81 -7.892 6.210 5.392 620 1HD ARG 81 1HD ARG 81 -8.221 4.368 3.557 621 2HD ARG 81 2HD ARG 81 -9.937 4.666 3.751 622 HE ARG 81 HE ARG 81 -7.949 6.523 2.601 623 1HH1 ARG 81 1HH1 ARG 81 -8.765 8.377 1.543 624 2HH1 ARG 81 2HH1 ARG 81 -10.434 8.808 1.716 625 1HH2 ARG 81 1HH2 ARG 81 -11.221 6.098 3.824 626 2HH2 ARG 81 2HH2 ARG 81 -11.840 7.503 3.022 627 H PHE 82 H PHE 82 -8.906 1.521 5.447 628 HA PHE 82 HA PHE 82 -8.743 -0.641 5.978 629 1HB PHE 82 1HB PHE 82 -7.037 1.058 7.798 630 2HB PHE 82 2HB PHE 82 -7.161 -0.628 8.262 631 HD1 PHE 82 HD1 PHE 82 -4.672 -0.654 7.893 632 HD2 PHE 82 HD2 PHE 82 -7.424 -0.016 4.726 633 HE1 PHE 82 HE1 PHE 82 -2.890 -1.243 6.226 634 HE2 PHE 82 HE2 PHE 82 -5.642 -0.605 3.059 635 HZ PHE 82 HZ PHE 82 -3.397 -1.212 3.829 636 H THR 83 H THR 83 -11.198 -0.429 6.644 637 HA THR 83 HA THR 83 -11.477 -1.003 9.511 638 HB THR 83 HB THR 83 -13.548 -0.247 7.383 639 HG1 THR 83 HG1 THR 83 -13.217 1.844 8.335 640 1HG2 THR 83 1HG2 THR 83 -14.429 -1.432 9.475 641 2HG2 THR 83 2HG2 THR 83 -13.694 -0.128 10.438 642 3HG2 THR 83 3HG2 THR 83 -15.002 0.243 9.288 643 H ASP 84 H ASP 84 -12.857 -2.134 6.347 644 HA ASP 84 HA ASP 84 -13.459 -4.630 7.593 645 1HB ASP 84 1HB ASP 84 -13.601 -4.062 4.614 646 2HB ASP 84 2HB ASP 84 -14.588 -5.166 5.550 647 H ILE 85 H ILE 85 -11.771 -6.110 7.837 648 HA ILE 85 HA ILE 85 -9.413 -5.932 6.278 649 HB ILE 85 HB ILE 85 -10.452 -7.933 8.278 650 1HG1 ILE 85 1HG1 ILE 85 -8.040 -6.582 9.032 651 2HG1 ILE 85 2HG1 ILE 85 -9.198 -5.381 8.496 652 1HG2 ILE 85 1HG2 ILE 85 -8.065 -8.059 6.504 653 2HG2 ILE 85 2HG2 ILE 85 -7.850 -8.526 8.208 654 3HG2 ILE 85 3HG2 ILE 85 -9.056 -9.363 7.201 655 1HD1 ILE 85 1HD1 ILE 85 -10.932 -6.438 10.002 656 2HD1 ILE 85 2HD1 ILE 85 -9.664 -7.528 10.614 657 3HD1 ILE 85 3HD1 ILE 85 -9.534 -5.773 10.880 658 H ASP 86 H ASP 86 -12.336 -8.037 6.265 659 HA ASP 86 HA ASP 86 -11.545 -9.949 4.562 660 1HB ASP 86 1HB ASP 86 -13.998 -8.925 5.542 661 2HB ASP 86 2HB ASP 86 -14.192 -8.922 3.800 662 H LYS 87 H LYS 87 -13.149 -6.791 3.669 663 HA LYS 87 HA LYS 87 -12.911 -7.091 0.922 664 1HB LYS 87 1HB LYS 87 -14.408 -5.487 1.996 665 2HB LYS 87 2HB LYS 87 -13.044 -4.578 2.615 666 1HG LYS 87 1HG LYS 87 -12.362 -4.616 -0.021 667 2HG LYS 87 2HG LYS 87 -14.101 -4.750 -0.191 668 1HD LYS 87 1HD LYS 87 -14.283 -2.520 0.157 669 2HD LYS 87 2HD LYS 87 -13.685 -2.744 1.789 670 1HE LYS 87 1HE LYS 87 -11.323 -2.865 0.376 671 2HE LYS 87 2HE LYS 87 -12.244 -1.776 -0.642 672 1HZ LYS 87 1HZ LYS 87 -12.782 -0.649 1.585 673 2HZ LYS 87 2HZ LYS 87 -11.457 -1.428 2.137 674 3HZ LYS 87 3HZ LYS 87 -11.328 -0.382 0.891 675 H VAL 88 H VAL 88 -10.874 -4.959 3.055 676 HA VAL 88 HA VAL 88 -8.983 -4.244 1.304 677 HB VAL 88 HB VAL 88 -9.223 -4.556 4.161 678 1HG1 VAL 88 1HG1 VAL 88 -7.347 -6.162 3.846 679 2HG1 VAL 88 2HG1 VAL 88 -6.404 -4.863 3.076 680 3HG1 VAL 88 3HG1 VAL 88 -6.887 -4.720 4.783 681 1HG2 VAL 88 1HG2 VAL 88 -9.217 -2.420 2.923 682 2HG2 VAL 88 2HG2 VAL 88 -7.957 -2.466 4.179 683 3HG2 VAL 88 3HG2 VAL 88 -7.519 -2.696 2.469 684 H GLU 89 H GLU 89 -9.526 -7.488 2.633 685 HA GLU 89 HA GLU 89 -7.003 -8.431 1.700 686 1HB GLU 89 1HB GLU 89 -8.425 -9.294 3.717 687 2HB GLU 89 2HB GLU 89 -9.351 -10.173 2.516 688 1HG GLU 89 1HG GLU 89 -6.494 -10.530 2.027 689 2HG GLU 89 2HG GLU 89 -6.872 -10.942 3.688 690 H ASP 90 H ASP 90 -7.685 -7.382 -0.539 691 HA ASP 90 HA ASP 90 -7.860 -9.340 -2.364 692 1HB ASP 90 1HB ASP 90 -10.547 -8.509 -1.365 693 2HB ASP 90 2HB ASP 90 -10.393 -8.525 -3.111 694 H GLU 91 H GLU 91 -9.292 -6.116 -1.507 695 HA GLU 91 HA GLU 91 -9.221 -5.015 -4.020 696 1HB GLU 91 1HB GLU 91 -9.112 -3.859 -1.224 697 2HB GLU 91 2HB GLU 91 -8.979 -2.796 -2.611 698 1HG GLU 91 1HG GLU 91 -11.200 -4.811 -2.701 699 2HG GLU 91 2HG GLU 91 -11.367 -3.534 -1.513 700 H PHE 92 H PHE 92 -6.618 -5.962 -1.961 701 HA PHE 92 HA PHE 92 -4.769 -4.021 -3.039 702 1HB PHE 92 1HB PHE 92 -5.048 -5.837 -0.779 703 2HB PHE 92 2HB PHE 92 -3.581 -6.283 -1.628 704 HD1 PHE 92 HD1 PHE 92 -2.468 -3.770 -2.519 705 HD2 PHE 92 HD2 PHE 92 -4.459 -4.668 1.119 706 HE1 PHE 92 HE1 PHE 92 -1.242 -1.896 -1.385 707 HE2 PHE 92 HE2 PHE 92 -3.233 -2.794 2.253 708 HZ PHE 92 HZ PHE 92 -1.639 -1.430 0.987 709 H THR 93 H THR 93 -5.939 -7.265 -3.708 710 HA THR 93 HA THR 93 -3.585 -7.918 -5.293 711 HB THR 93 HB THR 93 -6.038 -9.339 -4.231 712 HG1 THR 93 HG1 THR 93 -3.134 -9.644 -4.470 713 1HG2 THR 93 1HG2 THR 93 -4.248 -10.276 -6.534 714 2HG2 THR 93 2HG2 THR 93 -5.276 -11.361 -5.567 715 3HG2 THR 93 3HG2 THR 93 -6.018 -10.096 -6.576 716 H LYS 94 H LYS 94 -7.033 -7.011 -5.690 717 HA LYS 94 HA LYS 94 -7.035 -7.444 -8.481 718 1HB LYS 94 1HB LYS 94 -8.848 -5.680 -6.809 719 2HB LYS 94 2HB LYS 94 -9.170 -6.267 -8.428 720 1HG LYS 94 1HG LYS 94 -8.455 -8.414 -6.502 721 2HG LYS 94 2HG LYS 94 -9.922 -7.552 -6.081 722 1HD LYS 94 1HD LYS 94 -11.055 -8.233 -8.014 723 2HD LYS 94 2HD LYS 94 -9.585 -8.392 -8.955 724 1HE LYS 94 1HE LYS 94 -8.978 -10.392 -7.441 725 2HE LYS 94 2HE LYS 94 -10.606 -10.295 -6.799 726 1HZ LYS 94 1HZ LYS 94 -11.342 -10.430 -9.174 727 2HZ LYS 94 2HZ LYS 94 -9.811 -10.844 -9.564 728 3HZ LYS 94 3HZ LYS 94 -10.683 -11.791 -8.559 729 H HIS 95 H HIS 95 -6.015 -4.897 -6.358 730 HA HIS 95 HA HIS 95 -5.938 -2.759 -8.302 731 1HB HIS 95 1HB HIS 95 -6.046 -2.618 -5.752 732 2HB HIS 95 2HB HIS 95 -4.279 -3.039 -5.744 733 HD1 HIS 95 HD1 HIS 95 -4.996 -0.903 -8.535 734 HD2 HIS 95 HD2 HIS 95 -4.265 -0.337 -4.459 735 HE1 HIS 95 HE1 HIS 95 -4.332 1.573 -8.261 736 H CYS 96 H CYS 96 -3.312 -4.749 -6.814 737 HA CYS 96 HA CYS 96 -1.221 -3.864 -8.467 738 1HB CYS 96 1HB CYS 96 -1.775 -6.342 -6.846 739 2HB CYS 96 2HB CYS 96 -0.351 -6.299 -7.915 740 H ASN 97 H ASN 97 -3.944 -6.035 -9.169 741 HA ASN 97 HA ASN 97 -2.602 -7.209 -11.383 742 1HB ASN 97 1HB ASN 97 -5.132 -7.547 -9.942 743 2HB ASN 97 2HB ASN 97 -5.429 -7.525 -11.669 744 1HD2 ASN 97 2HD2 ASN 97 -4.912 -9.493 -9.177 745 2HD2 ASN 97 1HD2 ASN 97 -4.125 -10.842 -9.928 746 H ASP 98 H ASP 98 -4.174 -4.225 -10.677 747 HA ASP 98 HA ASP 98 -4.754 -3.828 -13.507 748 1HB ASP 98 1HB ASP 98 -6.240 -3.198 -11.067 749 2HB ASP 98 2HB ASP 98 -5.928 -1.732 -11.974 750 H ILE 99 H ILE 99 -2.398 -3.376 -11.271 751 HA ILE 99 HA ILE 99 -1.764 -0.672 -12.231 752 HB ILE 99 HB ILE 99 -1.238 -1.906 -9.527 753 1HG1 ILE 99 1HG1 ILE 99 -3.535 -1.074 -9.880 754 2HG1 ILE 99 2HG1 ILE 99 -2.664 -0.167 -8.659 755 1HG2 ILE 99 1HG2 ILE 99 -0.089 0.522 -10.866 756 2HG2 ILE 99 2HG2 ILE 99 -0.353 0.512 -9.106 757 3HG2 ILE 99 3HG2 ILE 99 0.706 -0.707 -9.854 758 1HD1 ILE 99 1HD1 ILE 99 -2.111 1.116 -11.155 759 2HD1 ILE 99 2HD1 ILE 99 -3.862 0.799 -11.108 760 3HD1 ILE 99 3HD1 ILE 99 -3.092 1.735 -9.804 761 H LEU 100 H LEU 100 -0.433 -3.817 -11.014 762 HA LEU 100 HA LEU 100 2.003 -3.245 -12.522 763 1HB LEU 100 1HB LEU 100 1.322 -5.165 -10.306 764 2HB LEU 100 2HB LEU 100 2.780 -5.336 -11.262 765 HG LEU 100 HG LEU 100 2.034 -2.945 -9.555 766 1HD1 LEU 100 1HD1 LEU 100 3.214 -5.427 -8.868 767 2HD1 LEU 100 2HD1 LEU 100 4.502 -4.200 -8.818 768 3HD1 LEU 100 3HD1 LEU 100 3.020 -3.974 -7.858 769 1HD2 LEU 100 1HD2 LEU 100 4.336 -3.421 -11.439 770 2HD2 LEU 100 2HD2 LEU 100 3.256 -2.012 -11.310 771 3HD2 LEU 100 3HD2 LEU 100 4.479 -2.315 -10.052 772 H GLY 101 H GLY 101 -0.943 -5.160 -12.509 773 1HA GLY 101 1HA GLY 101 -0.087 -6.379 -15.039 774 2HA GLY 101 2HA GLY 101 -1.732 -6.154 -14.478 775 H ALA 102 H ALA 102 -0.495 -7.097 -11.666 776 HA ALA 102 HA ALA 102 -1.391 -9.776 -11.962 777 1HB ALA 102 1HB ALA 102 0.799 -10.139 -12.930 778 2HB ALA 102 2HB ALA 102 0.803 -10.813 -11.283 779 3HB ALA 102 3HB ALA 102 1.585 -9.247 -11.606 780 H ASP 103 H ASP 103 -0.390 -10.930 -9.672 781 HA ASP 103 HA ASP 103 -1.508 -9.144 -7.710 782 1HB ASP 103 1HB ASP 103 -2.036 -11.702 -8.062 783 2HB ASP 103 2HB ASP 103 -0.531 -11.977 -7.208 784 H CYS 104 H CYS 104 -0.208 -8.026 -6.349 785 HA CYS 104 HA CYS 104 2.615 -8.062 -6.480 786 1HB CYS 104 1HB CYS 104 0.595 -6.958 -4.512 787 2HB CYS 104 2HB CYS 104 2.346 -6.790 -4.233 788 H SER 105 H SER 105 4.156 -8.610 -4.622 789 HA SER 105 HA SER 105 3.565 -11.265 -3.813 790 1HB SER 105 1HB SER 105 5.853 -10.315 -4.523 791 2HB SER 105 2HB SER 105 5.931 -9.557 -2.945 792 HG SER 105 HG SER 105 5.985 -11.566 -1.934 793 HA PRO 106 HA PRO 106 1.725 -10.543 0.109 794 1HB PRO 106 1HB PRO 106 2.857 -12.724 1.462 795 2HB PRO 106 2HB PRO 106 1.463 -12.814 0.338 796 1HG PRO 106 1HG PRO 106 4.307 -13.305 -0.161 797 2HG PRO 106 2HG PRO 106 2.990 -14.369 -0.754 798 1HD PRO 106 1HD PRO 106 4.088 -12.626 -2.450 799 2HD PRO 106 2HD PRO 106 2.302 -12.689 -2.362 800 H SER 107 H SER 107 5.194 -10.557 -0.486 801 HA SER 107 HA SER 107 5.788 -9.850 2.224 802 1HB SER 107 1HB SER 107 8.099 -9.811 1.510 803 2HB SER 107 2HB SER 107 7.342 -11.213 0.781 804 HG SER 107 HG SER 107 7.661 -8.667 -0.564 805 H GLU 108 H GLU 108 5.597 -8.308 -1.035 806 HA GLU 108 HA GLU 108 6.482 -5.806 -0.111 807 1HB GLU 108 1HB GLU 108 4.823 -6.415 -2.596 808 2HB GLU 108 2HB GLU 108 5.815 -4.995 -2.327 809 1HG GLU 108 1HG GLU 108 6.918 -7.843 -2.372 810 2HG GLU 108 2HG GLU 108 6.899 -6.788 -3.772 811 H LYS 109 H LYS 109 3.614 -7.541 0.430 812 HA LYS 109 HA LYS 109 1.884 -5.223 0.439 813 1HB LYS 109 1HB LYS 109 1.325 -7.708 -0.218 814 2HB LYS 109 2HB LYS 109 1.122 -7.925 1.508 815 1HG LYS 109 1HG LYS 109 -1.023 -7.221 1.046 816 2HG LYS 109 2HG LYS 109 -0.302 -5.634 1.231 817 1HD LYS 109 1HD LYS 109 -1.425 -5.447 -0.836 818 2HD LYS 109 2HD LYS 109 0.223 -5.785 -1.328 819 1HE LYS 109 1HE LYS 109 -1.375 -7.195 -2.595 820 2HE LYS 109 2HE LYS 109 -0.320 -8.190 -1.611 821 1HZ LYS 109 1HZ LYS 109 -2.631 -7.411 -0.188 822 2HZ LYS 109 2HZ LYS 109 -3.028 -8.196 -1.564 823 3HZ LYS 109 3HZ LYS 109 -2.048 -8.910 -0.470 824 H ALA 110 H ALA 110 2.897 -7.721 2.885 825 HA ALA 110 HA ALA 110 1.994 -6.305 5.084 826 1HB ALA 110 1HB ALA 110 4.431 -7.899 5.524 827 2HB ALA 110 2HB ALA 110 2.791 -8.116 6.180 828 3HB ALA 110 3HB ALA 110 3.195 -8.749 4.566 829 H ASN 111 H ASN 111 4.649 -5.676 2.933 830 HA ASN 111 HA ASN 111 6.257 -4.348 4.836 831 1HB ASN 111 1HB ASN 111 6.888 -5.359 2.478 832 2HB ASN 111 2HB ASN 111 6.311 -3.836 1.832 833 1HD2 ASN 111 2HD2 ASN 111 7.124 -1.869 3.164 834 2HD2 ASN 111 1HD2 ASN 111 8.826 -1.822 3.480 835 H PHE 112 H PHE 112 4.077 -3.351 2.091 836 HA PHE 112 HA PHE 112 4.320 -0.607 2.489 837 1HB PHE 112 1HB PHE 112 3.347 -1.967 0.514 838 2HB PHE 112 2HB PHE 112 1.926 -2.266 1.495 839 HD1 PHE 112 HD1 PHE 112 0.158 -0.738 1.505 840 HD2 PHE 112 HD2 PHE 112 3.936 0.484 0.009 841 HE1 PHE 112 HE1 PHE 112 -0.861 1.403 0.682 842 HE2 PHE 112 HE2 PHE 112 2.917 2.626 -0.814 843 HZ PHE 112 HZ PHE 112 0.531 3.059 -0.467 844 H ILE 113 H ILE 113 1.991 -3.032 3.810 845 HA ILE 113 HA ILE 113 0.231 -1.276 4.996 846 HB ILE 113 HB ILE 113 1.060 -4.099 5.427 847 1HG1 ILE 113 1HG1 ILE 113 -1.780 -3.490 5.322 848 2HG1 ILE 113 2HG1 ILE 113 -0.930 -2.744 3.984 849 1HG2 ILE 113 1HG2 ILE 113 -0.559 -2.490 7.410 850 2HG2 ILE 113 2HG2 ILE 113 -0.645 -4.264 7.284 851 3HG2 ILE 113 3HG2 ILE 113 0.894 -3.476 7.707 852 1HD1 ILE 113 1HD1 ILE 113 -0.112 -5.550 4.596 853 2HD1 ILE 113 2HD1 ILE 113 -1.766 -5.342 3.973 854 3HD1 ILE 113 3HD1 ILE 113 -0.378 -4.759 3.024 855 H ALA 114 H ALA 114 3.490 -2.332 5.991 856 HA ALA 114 HA ALA 114 3.283 -1.295 8.624 857 1HB ALA 114 1HB ALA 114 4.881 -3.011 8.228 858 2HB ALA 114 2HB ALA 114 5.838 -1.529 8.459 859 3HB ALA 114 3HB ALA 114 5.562 -2.163 6.819 860 H TYR 115 H TYR 115 5.343 -0.232 5.890 861 HA TYR 115 HA TYR 115 6.117 2.233 6.763 862 1HB TYR 115 1HB TYR 115 6.180 0.866 4.381 863 2HB TYR 115 2HB TYR 115 5.155 2.252 3.971 864 HD1 TYR 115 HD1 TYR 115 8.526 1.150 4.926 865 HD2 TYR 115 HD2 TYR 115 6.036 4.539 4.052 866 HE1 TYR 115 HE1 TYR 115 10.545 2.569 4.677 867 HE2 TYR 115 HE2 TYR 115 8.055 5.958 3.802 868 HH TYR 115 HH TYR 115 10.381 6.057 4.303 869 H LEU 116 H LEU 116 2.818 1.277 5.787 870 HA LEU 116 HA LEU 116 1.951 4.008 5.603 871 1HB LEU 116 1HB LEU 116 0.974 1.409 4.896 872 2HB LEU 116 2HB LEU 116 -0.231 2.220 5.876 873 HG LEU 116 HG LEU 116 -0.524 3.954 4.335 874 1HD1 LEU 116 1HD1 LEU 116 2.267 3.391 3.616 875 2HD1 LEU 116 2HD1 LEU 116 1.222 3.780 2.228 876 3HD1 LEU 116 3HD1 LEU 116 1.352 4.918 3.590 877 1HD2 LEU 116 1HD2 LEU 116 -0.052 1.364 2.849 878 2HD2 LEU 116 2HD2 LEU 116 -1.583 2.015 3.483 879 3HD2 LEU 116 3HD2 LEU 116 -0.787 2.802 2.100 880 H LEU 117 H LEU 117 1.613 1.257 7.931 881 HA LEU 117 HA LEU 117 0.307 3.020 9.813 882 1HB LEU 117 1HB LEU 117 -0.280 1.142 10.970 883 2HB LEU 117 2HB LEU 117 -0.239 0.553 9.320 884 HG LEU 117 HG LEU 117 2.256 -0.102 9.983 885 1HD1 LEU 117 1HD1 LEU 117 1.129 0.731 12.490 886 2HD1 LEU 117 2HD1 LEU 117 1.498 -1.009 12.549 887 3HD1 LEU 117 3HD1 LEU 117 2.773 0.157 12.123 888 1HD2 LEU 117 1HD2 LEU 117 -0.220 -1.680 10.734 889 2HD2 LEU 117 2HD2 LEU 117 0.608 -1.666 9.158 890 3HD2 LEU 117 3HD2 LEU 117 1.422 -2.352 10.584 891 H THR 118 H THR 118 3.294 3.128 8.768 892 HA THR 118 HA THR 118 4.590 2.995 11.397 893 HB THR 118 HB THR 118 5.575 3.037 8.505 894 HG1 THR 118 HG1 THR 118 6.435 0.964 9.415 895 1HG2 THR 118 1HG2 THR 118 7.227 2.997 11.085 896 2HG2 THR 118 2HG2 THR 118 7.860 2.842 9.428 897 3HG2 THR 118 3HG2 THR 118 7.145 4.380 9.967 898 H GLU 119 H GLU 119 4.761 5.172 8.497 899 HA GLU 119 HA GLU 119 5.672 7.302 10.026 900 1HB GLU 119 1HB GLU 119 5.506 8.584 8.027 901 2HB GLU 119 2HB GLU 119 5.840 6.951 7.487 902 1HG GLU 119 1HG GLU 119 3.147 6.790 7.474 903 2HG GLU 119 2HG GLU 119 3.279 8.529 7.298 904 H THR 120 H THR 120 4.629 8.777 11.313 905 HA THR 120 HA THR 120 1.688 8.838 11.116 906 HB THR 120 HB THR 120 1.762 9.236 13.595 907 HG1 THR 120 HG1 THR 120 4.580 8.544 13.229 908 1HG2 THR 120 1HG2 THR 120 2.761 6.772 12.295 909 2HG2 THR 120 2HG2 THR 120 3.388 6.975 13.948 910 3HG2 THR 120 3HG2 THR 120 1.632 6.944 13.660 911 H LYS 121 H LYS 121 3.219 10.440 9.412 912 HA LYS 121 HA LYS 121 2.156 12.940 9.995 913 1HB LYS 121 1HB LYS 121 4.148 14.250 10.514 914 2HB LYS 121 2HB LYS 121 3.827 13.070 11.768 915 1HG LYS 121 1HG LYS 121 5.483 11.677 9.971 916 2HG LYS 121 2HG LYS 121 6.150 13.297 9.965 917 1HD LYS 121 1HD LYS 121 5.691 12.894 12.675 918 2HD LYS 121 2HD LYS 121 6.110 11.277 12.146 919 1HE LYS 121 1HE LYS 121 8.302 11.830 11.801 920 2HE LYS 121 2HE LYS 121 7.891 13.320 10.976 921 1HZ LYS 121 1HZ LYS 121 7.666 13.037 13.885 922 2HZ LYS 121 2HZ LYS 121 9.035 13.551 13.158 923 3HZ LYS 121 3HZ LYS 121 7.658 14.417 13.012 924 HA PRO 122 HA PRO 122 2.970 13.109 5.697 925 1HB PRO 122 1HB PRO 122 2.321 15.737 5.249 926 2HB PRO 122 2HB PRO 122 1.102 14.502 5.704 927 1HG PRO 122 1HG PRO 122 2.498 16.589 7.549 928 2HG PRO 122 2HG PRO 122 0.805 16.057 7.289 929 1HD PRO 122 1HD PRO 122 2.563 15.062 9.266 930 2HD PRO 122 2HD PRO 122 1.130 14.188 8.646 931 H THR 123 H THR 123 4.358 14.397 4.058 932 HA THR 123 HA THR 123 6.964 14.592 4.989 933 HB THR 123 HB THR 123 5.919 14.325 2.582 934 HG1 THR 123 HG1 THR 123 8.071 14.645 2.128 935 1HG2 THR 123 1HG2 THR 123 5.112 16.966 3.029 936 2HG2 THR 123 2HG2 THR 123 6.642 17.168 2.141 937 3HG2 THR 123 3HG2 THR 123 5.316 16.219 1.426 938 H LYS 124 H LYS 124 4.325 16.900 5.158 939 HA LYS 124 HA LYS 124 4.195 18.849 6.198 940 1HB LYS 124 1HB LYS 124 6.155 17.595 7.620 941 2HB LYS 124 2HB LYS 124 7.014 19.025 7.083 942 1HG LYS 124 1HG LYS 124 4.850 20.324 7.865 943 2HG LYS 124 2HG LYS 124 4.493 18.863 8.764 944 1HD LYS 124 1HD LYS 124 5.721 20.098 10.340 945 2HD LYS 124 2HD LYS 124 6.963 19.072 9.652 946 1HE LYS 124 1HE LYS 124 6.814 21.383 7.968 947 2HE LYS 124 2HE LYS 124 6.777 21.975 9.617 948 1HZ LYS 124 1HZ LYS 124 8.671 20.016 9.596 949 2HZ LYS 124 2HZ LYS 124 8.923 20.835 8.205 950 3HZ LYS 124 3HZ LYS 124 8.938 21.627 9.633 No H/Q in entry = 950 Start of MODEL 4 1 H1 ASP 1 H1 ASP 1 -7.985 0.809 17.000 2 H2 ASP 1 H2 ASP 1 -7.898 2.449 16.787 3 H3 ASP 1 H3 ASP 1 -9.212 1.610 16.229 4 HA ASP 1 HA ASP 1 -8.216 0.750 14.519 5 1HB ASP 1 1HB ASP 1 -6.264 3.022 14.596 6 2HB ASP 1 2HB ASP 1 -7.369 2.553 13.319 7 H VAL 2 H VAL 2 -5.950 0.356 13.328 8 HA VAL 2 HA VAL 2 -3.787 -0.256 13.367 9 HB VAL 2 HB VAL 2 -3.741 -0.101 16.373 10 1HG1 VAL 2 1HG1 VAL 2 -1.686 -0.039 14.165 11 2HG1 VAL 2 2HG1 VAL 2 -1.327 0.625 15.777 12 3HG1 VAL 2 3HG1 VAL 2 -1.768 -1.091 15.598 13 1HG2 VAL 2 1HG2 VAL 2 -4.193 2.085 14.521 14 2HG2 VAL 2 2HG2 VAL 2 -4.157 2.091 16.300 15 3HG2 VAL 2 3HG2 VAL 2 -2.647 2.288 15.379 16 H THR 3 H THR 3 -5.993 -1.504 15.924 17 HA THR 3 HA THR 3 -4.966 -3.942 16.440 18 HB THR 3 HB THR 3 -7.835 -3.007 15.962 19 HG1 THR 3 HG1 THR 3 -7.605 -3.153 18.385 20 1HG2 THR 3 1HG2 THR 3 -6.834 -5.578 17.298 21 2HG2 THR 3 2HG2 THR 3 -8.510 -4.979 17.342 22 3HG2 THR 3 3HG2 THR 3 -7.793 -5.505 15.800 23 H ASN 4 H ASN 4 -6.749 -3.004 13.454 24 HA ASN 4 HA ASN 4 -6.600 -5.645 12.451 25 1HB ASN 4 1HB ASN 4 -6.989 -3.242 10.650 26 2HB ASN 4 2HB ASN 4 -7.796 -4.796 10.593 27 1HD2 ASN 4 2HD2 ASN 4 -8.317 -4.925 13.436 28 2HD2 ASN 4 1HD2 ASN 4 -9.605 -3.823 13.791 29 H ALA 5 H ALA 5 -4.965 -2.460 11.830 30 HA ALA 5 HA ALA 5 -3.358 -3.148 9.731 31 1HB ALA 5 1HB ALA 5 -2.108 -1.227 10.296 32 2HB ALA 5 2HB ALA 5 -2.394 -1.442 12.040 33 3HB ALA 5 3HB ALA 5 -3.719 -0.902 10.981 34 H GLU 6 H GLU 6 -2.707 -3.560 13.277 35 HA GLU 6 HA GLU 6 -0.197 -4.652 12.950 36 1HB GLU 6 1HB GLU 6 -0.768 -3.927 15.128 37 2HB GLU 6 2HB GLU 6 -2.292 -4.793 15.129 38 1HG GLU 6 1HG GLU 6 -0.577 -5.902 16.573 39 2HG GLU 6 2HG GLU 6 -1.140 -6.953 15.289 40 H LYS 7 H LYS 7 -3.463 -6.189 13.099 41 HA LYS 7 HA LYS 7 -2.612 -8.827 13.124 42 1HB LYS 7 1HB LYS 7 -5.128 -7.495 12.100 43 2HB LYS 7 2HB LYS 7 -4.912 -9.234 12.084 44 1HG LYS 7 1HG LYS 7 -4.310 -7.788 14.658 45 2HG LYS 7 2HG LYS 7 -5.993 -7.938 14.194 46 1HD LYS 7 1HD LYS 7 -4.884 -10.507 13.729 47 2HD LYS 7 2HD LYS 7 -4.176 -9.984 15.244 48 1HE LYS 7 1HE LYS 7 -6.925 -9.237 15.387 49 2HE LYS 7 2HE LYS 7 -6.912 -10.849 14.700 50 1HZ LYS 7 1HZ LYS 7 -5.089 -10.958 16.697 51 2HZ LYS 7 2HZ LYS 7 -6.277 -10.035 17.330 52 3HZ LYS 7 3HZ LYS 7 -6.617 -11.528 16.764 53 H LEU 8 H LEU 8 -3.309 -6.600 10.357 54 HA LEU 8 HA LEU 8 -2.927 -8.418 8.326 55 1HB LEU 8 1HB LEU 8 -2.437 -5.450 8.505 56 2HB LEU 8 2HB LEU 8 -2.243 -6.348 7.013 57 HG LEU 8 HG LEU 8 -4.745 -5.714 8.540 58 1HD1 LEU 8 1HD1 LEU 8 -3.945 -4.280 6.668 59 2HD1 LEU 8 2HD1 LEU 8 -4.140 -5.670 5.573 60 3HD1 LEU 8 3HD1 LEU 8 -5.558 -4.984 6.401 61 1HD2 LEU 8 1HD2 LEU 8 -4.267 -8.165 6.876 62 2HD2 LEU 8 2HD2 LEU 8 -5.173 -7.977 8.396 63 3HD2 LEU 8 3HD2 LEU 8 -5.862 -7.377 6.869 64 H VAL 9 H VAL 9 -0.482 -6.247 9.905 65 HA VAL 9 HA VAL 9 1.685 -7.180 8.433 66 HB VAL 9 HB VAL 9 1.542 -6.048 11.235 67 1HG1 VAL 9 1HG1 VAL 9 3.804 -6.892 9.536 68 2HG1 VAL 9 2HG1 VAL 9 3.948 -5.248 10.203 69 3HG1 VAL 9 3HG1 VAL 9 3.719 -6.634 11.296 70 1HG2 VAL 9 1HG2 VAL 9 1.943 -4.688 8.549 71 2HG2 VAL 9 2HG2 VAL 9 0.507 -4.570 9.593 72 3HG2 VAL 9 3HG2 VAL 9 2.061 -3.894 10.138 73 H TYR 10 H TYR 10 0.078 -8.348 11.355 74 HA TYR 10 HA TYR 10 2.074 -10.399 11.884 75 1HB TYR 10 1HB TYR 10 0.370 -9.129 13.471 76 2HB TYR 10 2HB TYR 10 -0.712 -10.449 12.995 77 HD1 TYR 10 HD1 TYR 10 -0.280 -12.745 13.682 78 HD2 TYR 10 HD2 TYR 10 2.361 -9.553 14.819 79 HE1 TYR 10 HE1 TYR 10 0.774 -14.219 15.375 80 HE2 TYR 10 HE2 TYR 10 3.414 -11.027 16.511 81 HH TYR 10 HH TYR 10 3.575 -13.904 16.688 82 H LYS 11 H LYS 11 -0.374 -10.039 9.525 83 HA LYS 11 HA LYS 11 -0.857 -12.927 9.486 84 1HB LYS 11 1HB LYS 11 -2.367 -10.545 8.443 85 2HB LYS 11 2HB LYS 11 -2.602 -12.117 7.706 86 1HG LYS 11 1HG LYS 11 -2.715 -11.857 10.724 87 2HG LYS 11 2HG LYS 11 -4.102 -11.375 9.767 88 1HD LYS 11 1HD LYS 11 -3.800 -13.731 8.599 89 2HD LYS 11 2HD LYS 11 -2.847 -14.126 10.016 90 1HE LYS 11 1HE LYS 11 -4.708 -14.376 11.300 91 2HE LYS 11 2HE LYS 11 -5.326 -12.807 10.823 92 1HZ LYS 11 1HZ LYS 11 -5.477 -14.889 8.836 93 2HZ LYS 11 2HZ LYS 11 -6.465 -15.056 10.125 94 3HZ LYS 11 3HZ LYS 11 -6.552 -13.714 9.198 95 H TYR 12 H TYR 12 -0.582 -10.340 7.027 96 HA TYR 12 HA TYR 12 0.314 -11.858 4.908 97 1HB TYR 12 1HB TYR 12 1.026 -9.036 5.753 98 2HB TYR 12 2HB TYR 12 1.507 -9.727 4.194 99 HD1 TYR 12 HD1 TYR 12 -0.246 -10.407 2.540 100 HD2 TYR 12 HD2 TYR 12 -1.195 -8.258 6.137 101 HE1 TYR 12 HE1 TYR 12 -2.443 -9.770 1.581 102 HE2 TYR 12 HE2 TYR 12 -3.391 -7.622 5.177 103 HH TYR 12 HH TYR 12 -4.709 -9.035 2.350 104 H THR 13 H THR 13 2.090 -11.010 7.865 105 HA THR 13 HA THR 13 4.666 -11.503 6.728 106 HB THR 13 HB THR 13 3.543 -11.208 9.556 107 HG1 THR 13 HG1 THR 13 5.287 -9.694 7.740 108 1HG2 THR 13 1HG2 THR 13 6.328 -11.863 8.568 109 2HG2 THR 13 2HG2 THR 13 6.156 -10.683 9.890 110 3HG2 THR 13 3HG2 THR 13 5.536 -12.340 10.090 111 H ASN 14 H ASN 14 2.189 -13.447 8.432 112 HA ASN 14 HA ASN 14 3.849 -15.626 8.882 113 1HB ASN 14 1HB ASN 14 0.878 -15.125 8.779 114 2HB ASN 14 2HB ASN 14 1.391 -16.798 8.683 115 1HD2 ASN 14 2HD2 ASN 14 2.051 -17.845 10.444 116 2HD2 ASN 14 1HD2 ASN 14 2.221 -17.164 12.028 117 H ILE 15 H ILE 15 1.385 -14.878 6.303 118 HA ILE 15 HA ILE 15 1.640 -17.179 4.826 119 HB ILE 15 HB ILE 15 0.873 -14.356 4.196 120 1HG1 ILE 15 1HG1 ILE 15 -0.981 -16.552 3.625 121 2HG1 ILE 15 2HG1 ILE 15 -0.459 -16.525 5.297 122 1HG2 ILE 15 1HG2 ILE 15 1.675 -16.413 2.250 123 2HG2 ILE 15 2HG2 ILE 15 0.065 -15.709 1.966 124 3HG2 ILE 15 3HG2 ILE 15 1.493 -14.652 2.063 125 1HD1 ILE 15 1HD1 ILE 15 -1.426 -14.018 3.862 126 2HD1 ILE 15 2HD1 ILE 15 -2.523 -15.105 4.745 127 3HD1 ILE 15 3HD1 ILE 15 -1.218 -14.261 5.612 128 H ALA 16 H ALA 16 3.493 -14.075 4.515 129 HA ALA 16 HA ALA 16 5.072 -14.796 2.391 130 1HB ALA 16 1HB ALA 16 5.302 -12.939 4.734 131 2HB ALA 16 2HB ALA 16 5.294 -12.580 2.991 132 3HB ALA 16 3HB ALA 16 6.761 -13.234 3.759 133 H HIS 17 H HIS 17 5.841 -15.160 5.930 134 HA HIS 17 HA HIS 17 8.208 -16.529 5.534 135 1HB HIS 17 1HB HIS 17 7.533 -15.490 7.648 136 2HB HIS 17 2HB HIS 17 6.250 -16.667 7.844 137 HD1 HIS 17 HD1 HIS 17 10.069 -16.543 7.648 138 HD2 HIS 17 HD2 HIS 17 6.996 -18.965 9.161 139 HE1 HIS 17 HE1 HIS 17 11.207 -18.367 9.022 140 H SER 18 H SER 18 4.814 -17.607 5.472 141 HA SER 18 HA SER 18 5.452 -20.342 5.646 142 1HB SER 18 1HB SER 18 3.226 -19.454 6.247 143 2HB SER 18 2HB SER 18 2.966 -18.918 4.599 144 HG SER 18 HG SER 18 2.642 -21.444 5.709 145 H ALA 19 H ALA 19 6.016 -18.019 3.247 146 HA ALA 19 HA ALA 19 5.865 -20.045 1.121 147 1HB ALA 19 1HB ALA 19 4.870 -17.380 1.279 148 2HB ALA 19 2HB ALA 19 6.235 -17.360 0.136 149 3HB ALA 19 3HB ALA 19 4.868 -18.469 -0.129 150 H ASN 20 H ASN 20 7.808 -17.418 2.651 151 HA ASN 20 HA ASN 20 10.142 -18.755 1.545 152 1HB ASN 20 1HB ASN 20 9.262 -15.946 1.157 153 2HB ASN 20 2HB ASN 20 10.901 -16.057 1.767 154 1HD2 ASN 20 2HD2 ASN 20 11.868 -18.325 0.679 155 2HD2 ASN 20 1HD2 ASN 20 11.941 -18.228 -1.048 156 HA PRO 21 HA PRO 21 10.466 -18.867 6.108 157 1HB PRO 21 1HB PRO 21 13.091 -20.060 5.186 158 2HB PRO 21 2HB PRO 21 11.906 -20.640 6.400 159 1HG PRO 21 1HG PRO 21 12.116 -21.614 4.084 160 2HG PRO 21 2HG PRO 21 10.468 -21.743 4.780 161 1HD PRO 21 1HD PRO 21 11.453 -20.093 2.524 162 2HD PRO 21 2HD PRO 21 9.767 -20.367 3.057 163 H MET 22 H MET 22 12.593 -17.461 3.599 164 HA MET 22 HA MET 22 14.464 -16.349 5.298 165 1HB MET 22 1HB MET 22 13.346 -15.250 2.658 166 2HB MET 22 2HB MET 22 14.891 -14.809 3.357 167 1HG MET 22 1HG MET 22 15.235 -17.501 3.314 168 2HG MET 22 2HG MET 22 14.080 -17.372 2.003 169 1HE MET 22 1HE MET 22 14.828 -17.745 0.154 170 2HE MET 22 2HE MET 22 15.156 -16.214 -0.693 171 3HE MET 22 3HE MET 22 16.433 -17.447 -0.554 172 H TYR 23 H TYR 23 11.347 -15.130 4.076 173 HA TYR 23 HA TYR 23 11.574 -12.570 5.416 174 1HB TYR 23 1HB TYR 23 10.243 -13.187 3.296 175 2HB TYR 23 2HB TYR 23 9.043 -13.878 4.402 176 HD1 TYR 23 HD1 TYR 23 7.736 -12.443 5.901 177 HD2 TYR 23 HD2 TYR 23 10.568 -10.790 3.127 178 HE1 TYR 23 HE1 TYR 23 6.732 -10.197 6.215 179 HE2 TYR 23 HE2 TYR 23 9.565 -8.544 3.441 180 HH TYR 23 HH TYR 23 7.805 -7.360 4.351 181 H GLU 24 H GLU 24 11.342 -12.272 7.611 182 HA GLU 24 HA GLU 24 9.607 -14.206 8.939 183 1HB GLU 24 1HB GLU 24 11.991 -12.672 10.065 184 2HB GLU 24 2HB GLU 24 10.959 -13.734 11.001 185 1HG GLU 24 1HG GLU 24 11.757 -15.208 8.673 186 2HG GLU 24 2HG GLU 24 13.199 -14.429 9.292 187 H ALA 25 H ALA 25 10.708 -10.770 8.797 188 HA ALA 25 HA ALA 25 8.071 -10.013 9.812 189 1HB ALA 25 1HB ALA 25 10.538 -9.810 11.256 190 2HB ALA 25 2HB ALA 25 8.928 -9.215 11.727 191 3HB ALA 25 3HB ALA 25 10.029 -8.166 10.802 192 HA PRO 26 HA PRO 26 8.381 -6.893 6.715 193 1HB PRO 26 1HB PRO 26 7.068 -4.823 8.261 194 2HB PRO 26 2HB PRO 26 6.331 -6.027 7.154 195 1HG PRO 26 1HG PRO 26 5.847 -6.165 10.133 196 2HG PRO 26 2HG PRO 26 5.688 -7.324 8.773 197 1HD PRO 26 1HD PRO 26 8.109 -6.777 10.590 198 2HD PRO 26 2HD PRO 26 7.298 -8.341 10.276 199 H SER 27 H SER 27 8.743 -4.197 6.618 200 HA SER 27 HA SER 27 10.746 -3.440 8.508 201 1HB SER 27 1HB SER 27 11.840 -4.850 6.576 202 2HB SER 27 2HB SER 27 11.581 -3.422 5.594 203 HG SER 27 HG SER 27 13.213 -2.431 6.571 204 H ILE 28 H ILE 28 11.496 -1.106 8.037 205 HA ILE 28 HA ILE 28 9.369 0.304 6.580 206 HB ILE 28 HB ILE 28 9.512 2.075 8.198 207 1HG1 ILE 28 1HG1 ILE 28 11.256 0.571 10.078 208 2HG1 ILE 28 2HG1 ILE 28 12.053 1.298 8.697 209 1HG2 ILE 28 1HG2 ILE 28 8.054 0.023 8.566 210 2HG2 ILE 28 2HG2 ILE 28 9.264 -0.496 9.763 211 3HG2 ILE 28 3HG2 ILE 28 8.389 1.038 9.990 212 1HD1 ILE 28 1HD1 ILE 28 10.145 3.199 9.764 213 2HD1 ILE 28 2HD1 ILE 28 11.172 2.593 11.085 214 3HD1 ILE 28 3HD1 ILE 28 11.916 3.343 9.652 215 H THR 29 H THR 29 11.467 -0.585 5.086 216 HA THR 29 HA THR 29 12.644 1.883 4.255 217 HB THR 29 HB THR 29 14.327 -0.274 5.620 218 HG1 THR 29 HG1 THR 29 13.708 1.384 7.042 219 1HG2 THR 29 1HG2 THR 29 15.092 1.959 3.694 220 2HG2 THR 29 2HG2 THR 29 16.205 1.452 4.988 221 3HG2 THR 29 3HG2 THR 29 15.699 0.286 3.742 222 H ASP 30 H ASP 30 10.797 -0.013 3.145 223 HA ASP 30 HA ASP 30 12.415 -0.741 0.858 224 1HB ASP 30 1HB ASP 30 10.463 -2.768 1.021 225 2HB ASP 30 2HB ASP 30 12.185 -2.955 1.287 226 H GLY 31 H GLY 31 9.143 -0.493 2.410 227 1HA GLY 31 1HA GLY 31 7.219 0.422 1.682 228 2HA GLY 31 2HA GLY 31 7.487 -0.529 0.235 229 H LYS 32 H LYS 32 9.344 2.288 1.574 230 HA LYS 32 HA LYS 32 8.312 4.258 -0.009 231 1HB LYS 32 1HB LYS 32 10.731 5.221 0.236 232 2HB LYS 32 2HB LYS 32 9.708 5.026 1.645 233 1HG LYS 32 1HG LYS 32 11.098 3.475 2.567 234 2HG LYS 32 2HG LYS 32 11.190 2.557 1.077 235 1HD LYS 32 1HD LYS 32 13.288 3.336 0.735 236 2HD LYS 32 2HD LYS 32 12.655 4.965 0.608 237 1HE LYS 32 1HE LYS 32 12.894 3.928 3.399 238 2HE LYS 32 2HE LYS 32 14.418 4.135 2.558 239 1HZ LYS 32 1HZ LYS 32 13.714 6.397 2.031 240 2HZ LYS 32 2HZ LYS 32 12.349 6.192 2.906 241 3HZ LYS 32 3HZ LYS 32 13.806 6.146 3.642 242 H ILE 33 H ILE 33 11.081 2.038 -0.754 243 HA ILE 33 HA ILE 33 11.532 3.100 -3.306 244 HB ILE 33 HB ILE 33 12.164 0.397 -2.119 245 1HG1 ILE 33 1HG1 ILE 33 14.167 2.586 -2.531 246 2HG1 ILE 33 2HG1 ILE 33 13.072 2.700 -1.167 247 1HG2 ILE 33 1HG2 ILE 33 12.891 1.647 -4.753 248 2HG2 ILE 33 2HG2 ILE 33 14.005 0.516 -3.948 249 3HG2 ILE 33 3HG2 ILE 33 12.364 -0.013 -4.389 250 1HD1 ILE 33 1HD1 ILE 33 14.154 -0.016 -1.427 251 2HD1 ILE 33 2HD1 ILE 33 15.445 1.199 -1.275 252 3HD1 ILE 33 3HD1 ILE 33 14.182 1.082 -0.026 253 H PHE 34 H PHE 34 9.829 0.046 -2.301 254 HA PHE 34 HA PHE 34 8.922 -0.619 -4.813 255 1HB PHE 34 1HB PHE 34 8.752 -2.174 -2.955 256 2HB PHE 34 2HB PHE 34 7.964 -0.988 -1.934 257 HD1 PHE 34 HD1 PHE 34 5.675 -1.122 -1.638 258 HD2 PHE 34 HD2 PHE 34 7.388 -2.873 -5.103 259 HE1 PHE 34 HE1 PHE 34 3.436 -2.068 -2.267 260 HE2 PHE 34 HE2 PHE 34 5.150 -3.819 -5.732 261 HZ PHE 34 HZ PHE 34 3.201 -3.405 -4.306 262 H PHE 35 H PHE 35 8.014 2.060 -2.811 263 HA PHE 35 HA PHE 35 5.512 2.346 -4.316 264 1HB PHE 35 1HB PHE 35 5.318 2.265 -1.825 265 2HB PHE 35 2HB PHE 35 6.578 3.471 -1.660 266 HD1 PHE 35 HD1 PHE 35 3.141 2.972 -2.975 267 HD2 PHE 35 HD2 PHE 35 6.038 5.749 -1.597 268 HE1 PHE 35 HE1 PHE 35 1.405 4.785 -2.979 269 HE2 PHE 35 HE2 PHE 35 4.303 7.562 -1.601 270 HZ PHE 35 HZ PHE 35 2.007 7.059 -2.292 271 H ASN 36 H ASN 36 8.670 3.204 -4.558 272 HA ASN 36 HA ASN 36 7.922 5.742 -5.741 273 1HB ASN 36 1HB ASN 36 10.289 5.262 -3.860 274 2HB ASN 36 2HB ASN 36 10.160 6.680 -4.882 275 1HD2 ASN 36 2HD2 ASN 36 10.371 7.151 -2.310 276 2HD2 ASN 36 1HD2 ASN 36 8.882 7.652 -1.581 277 H ARG 37 H ARG 37 8.568 2.882 -6.627 278 HA ARG 37 HA ARG 37 11.054 3.410 -8.033 279 1HB ARG 37 1HB ARG 37 10.714 1.275 -6.585 280 2HB ARG 37 2HB ARG 37 9.613 0.727 -7.833 281 1HG ARG 37 1HG ARG 37 11.483 -0.160 -8.806 282 2HG ARG 37 2HG ARG 37 11.771 1.473 -9.372 283 1HD ARG 37 1HD ARG 37 12.736 0.880 -6.598 284 2HD ARG 37 2HD ARG 37 13.578 0.043 -7.887 285 HE ARG 37 HE ARG 37 13.601 2.935 -7.367 286 1HH1 ARG 37 1HH1 ARG 37 15.027 4.214 -8.614 287 2HH1 ARG 37 2HH1 ARG 37 15.764 3.554 -10.036 288 1HH2 ARG 37 1HH2 ARG 37 14.222 0.402 -9.730 289 2HH2 ARG 37 2HH2 ARG 37 15.302 1.371 -10.675 290 H LYS 38 H LYS 38 10.486 4.482 -9.939 291 HA LYS 38 HA LYS 38 8.095 4.253 -11.271 292 1HB LYS 38 1HB LYS 38 9.602 6.071 -11.694 293 2HB LYS 38 2HB LYS 38 10.864 4.990 -12.247 294 1HG LYS 38 1HG LYS 38 8.974 4.218 -13.993 295 2HG LYS 38 2HG LYS 38 8.314 5.803 -13.644 296 1HD LYS 38 1HD LYS 38 11.035 5.127 -14.821 297 2HD LYS 38 2HD LYS 38 9.770 6.112 -15.527 298 1HE LYS 38 1HE LYS 38 10.223 7.957 -14.116 299 2HE LYS 38 2HE LYS 38 10.977 6.964 -12.885 300 1HZ LYS 38 1HZ LYS 38 12.656 6.502 -14.774 301 2HZ LYS 38 2HZ LYS 38 12.093 7.904 -15.395 302 3HZ LYS 38 3HZ LYS 38 12.766 7.882 -13.908 303 H PHE 39 H PHE 39 7.265 2.190 -11.554 304 HA PHE 39 HA PHE 39 8.972 0.292 -12.971 305 1HB PHE 39 1HB PHE 39 7.077 -1.275 -12.253 306 2HB PHE 39 2HB PHE 39 7.872 -0.492 -10.902 307 HD1 PHE 39 HD1 PHE 39 4.875 -0.313 -13.077 308 HD2 PHE 39 HD2 PHE 39 6.653 0.851 -9.404 309 HE1 PHE 39 HE1 PHE 39 2.661 0.563 -12.283 310 HE2 PHE 39 HE2 PHE 39 4.439 1.728 -8.610 311 HZ PHE 39 HZ PHE 39 2.470 1.574 -10.059 312 H LYS 40 H LYS 40 7.845 -1.097 -14.672 313 HA LYS 40 HA LYS 40 6.109 0.651 -16.267 314 1HB LYS 40 1HB LYS 40 8.511 -0.161 -17.020 315 2HB LYS 40 2HB LYS 40 7.657 -1.632 -17.443 316 1HG LYS 40 1HG LYS 40 6.418 -0.607 -19.125 317 2HG LYS 40 2HG LYS 40 6.378 0.943 -18.308 318 1HD LYS 40 1HD LYS 40 7.914 1.517 -19.923 319 2HD LYS 40 2HD LYS 40 9.048 0.810 -18.790 320 1HE LYS 40 1HE LYS 40 9.567 -0.858 -20.243 321 2HE LYS 40 2HE LYS 40 7.881 -1.302 -20.419 322 1HZ LYS 40 1HZ LYS 40 9.121 0.953 -21.834 323 2HZ LYS 40 2HZ LYS 40 8.933 -0.537 -22.477 324 3HZ LYS 40 3HZ LYS 40 7.622 0.352 -22.079 325 H THR 41 H THR 41 4.193 -0.179 -17.168 326 HA THR 41 HA THR 41 3.272 -2.625 -15.849 327 HB THR 41 HB THR 41 1.060 -1.705 -16.229 328 HG1 THR 41 HG1 THR 41 1.089 0.339 -17.634 329 1HG2 THR 41 1HG2 THR 41 2.939 -0.223 -14.799 330 2HG2 THR 41 2HG2 THR 41 2.332 0.969 -15.973 331 3HG2 THR 41 3HG2 THR 41 1.200 0.150 -14.871 332 HA PRO 42 HA PRO 42 3.373 -5.161 -19.354 333 1HB PRO 42 1HB PRO 42 1.027 -6.587 -19.020 334 2HB PRO 42 2HB PRO 42 2.476 -6.802 -17.984 335 1HG PRO 42 1HG PRO 42 -0.111 -5.082 -16.953 336 2HG PRO 42 2HG PRO 42 1.027 -6.434 -16.647 337 1HD PRO 42 1HD PRO 42 1.430 -3.635 -16.095 338 2HD PRO 42 2HD PRO 42 2.673 -4.923 -16.039 339 H SER 43 H SER 43 1.041 -2.644 -18.901 340 HA SER 43 HA SER 43 -0.176 -3.237 -21.463 341 1HB SER 43 1HB SER 43 -2.005 -2.029 -20.764 342 2HB SER 43 2HB SER 43 -1.370 -2.442 -19.184 343 HG SER 43 HG SER 43 -1.837 -0.171 -19.330 344 H GLY 44 H GLY 44 2.640 -2.422 -21.292 345 1HA GLY 44 1HA GLY 44 2.886 -0.640 -23.329 346 2HA GLY 44 2HA GLY 44 4.096 -0.893 -22.087 347 H LYS 45 H LYS 45 3.704 0.323 -19.928 348 HA LYS 45 HA LYS 45 3.565 3.045 -20.475 349 1HB LYS 45 1HB LYS 45 1.081 2.323 -20.696 350 2HB LYS 45 2HB LYS 45 1.109 2.190 -18.949 351 1HG LYS 45 1HG LYS 45 1.513 4.499 -18.637 352 2HG LYS 45 2HG LYS 45 2.195 4.703 -20.238 353 1HD LYS 45 1HD LYS 45 0.140 5.566 -20.763 354 2HD LYS 45 2HD LYS 45 -0.341 3.886 -20.903 355 1HE LYS 45 1HE LYS 45 -1.956 4.979 -19.460 356 2HE LYS 45 2HE LYS 45 -0.993 3.920 -18.450 357 1HZ LYS 45 1HZ LYS 45 0.286 6.371 -18.569 358 2HZ LYS 45 2HZ LYS 45 -1.287 6.669 -18.247 359 3HZ LYS 45 3HZ LYS 45 -0.429 5.674 -17.277 360 H GLU 46 H GLU 46 4.573 4.142 -18.818 361 HA GLU 46 HA GLU 46 5.370 2.465 -16.614 362 1HB GLU 46 1HB GLU 46 7.082 4.152 -16.195 363 2HB GLU 46 2HB GLU 46 7.072 3.763 -17.904 364 1HG GLU 46 1HG GLU 46 5.356 6.056 -16.934 365 2HG GLU 46 2HG GLU 46 7.085 6.304 -17.072 366 H ALA 47 H ALA 47 5.220 3.198 -14.357 367 HA ALA 47 HA ALA 47 3.674 5.509 -13.741 368 1HB ALA 47 1HB ALA 47 2.413 2.759 -13.384 369 2HB ALA 47 2HB ALA 47 1.767 4.283 -12.729 370 3HB ALA 47 3HB ALA 47 1.854 4.038 -14.490 371 H ALA 48 H ALA 48 3.015 5.191 -11.185 372 HA ALA 48 HA ALA 48 4.901 3.568 -9.767 373 1HB ALA 48 1HB ALA 48 5.475 6.139 -8.747 374 2HB ALA 48 2HB ALA 48 6.569 5.071 -9.658 375 3HB ALA 48 3HB ALA 48 5.594 6.288 -10.516 376 H CYS 49 H CYS 49 4.485 3.641 -7.422 377 HA CYS 49 HA CYS 49 1.729 3.958 -6.924 378 1HB CYS 49 1HB CYS 49 3.926 3.555 -4.889 379 2HB CYS 49 2HB CYS 49 2.219 3.209 -4.694 380 H ALA 50 H ALA 50 4.305 6.158 -7.168 381 HA ALA 50 HA ALA 50 3.117 7.976 -5.195 382 1HB ALA 50 1HB ALA 50 5.437 7.681 -4.766 383 2HB ALA 50 2HB ALA 50 5.319 9.233 -5.628 384 3HB ALA 50 3HB ALA 50 5.851 7.773 -6.495 385 H SER 51 H SER 51 2.691 7.107 -8.335 386 HA SER 51 HA SER 51 2.826 9.710 -9.496 387 1HB SER 51 1HB SER 51 2.627 6.992 -10.422 388 2HB SER 51 2HB SER 51 1.265 7.875 -11.084 389 HG SER 51 HG SER 51 3.046 9.576 -11.607 390 H CYS 52 H CYS 52 0.604 7.895 -7.566 391 HA CYS 52 HA CYS 52 -1.527 9.754 -8.332 392 1HB CYS 52 1HB CYS 52 -1.740 6.799 -7.716 393 2HB CYS 52 2HB CYS 52 -3.115 7.877 -7.589 394 H HIS 53 H HIS 53 -0.065 7.621 -5.901 395 HA HIS 53 HA HIS 53 -1.358 9.115 -3.681 396 1HB HIS 53 1HB HIS 53 0.457 6.645 -3.595 397 2HB HIS 53 2HB HIS 53 -0.593 7.302 -2.267 398 HD1 HIS 53 HD1 HIS 53 -3.246 7.464 -3.320 399 HD2 HIS 53 HD2 HIS 53 -0.696 4.398 -4.571 400 HE1 HIS 53 HE1 HIS 53 -4.767 5.572 -4.186 401 H THR 54 H THR 54 0.918 10.113 -5.580 402 HA THR 54 HA THR 54 2.852 11.222 -5.427 403 HB THR 54 HB THR 54 2.905 12.785 -3.421 404 HG1 THR 54 HG1 THR 54 1.997 11.565 -1.758 405 1HG2 THR 54 1HG2 THR 54 0.805 12.555 -5.386 406 2HG2 THR 54 2HG2 THR 54 0.044 12.952 -3.826 407 3HG2 THR 54 3HG2 THR 54 1.308 14.012 -4.496 408 H ASN 55 H ASN 55 4.927 11.646 -4.055 409 HA ASN 55 HA ASN 55 6.155 9.262 -3.729 410 1HB ASN 55 1HB ASN 55 7.866 10.588 -2.358 411 2HB ASN 55 2HB ASN 55 7.465 11.299 -3.908 412 1HD2 ASN 55 2HD2 ASN 55 6.493 13.236 -4.035 413 2HD2 ASN 55 1HD2 ASN 55 6.089 14.243 -2.684 414 H ASN 56 H ASN 56 3.941 10.954 -1.598 415 HA ASN 56 HA ASN 56 4.455 8.935 0.429 416 1HB ASN 56 1HB ASN 56 5.198 11.519 0.856 417 2HB ASN 56 2HB ASN 56 3.511 11.665 1.306 418 1HD2 ASN 56 2HD2 ASN 56 3.648 11.868 3.444 419 2HD2 ASN 56 1HD2 ASN 56 4.313 10.699 4.536 420 HA PRO 57 HA PRO 57 0.064 8.454 -0.289 421 1HB PRO 57 1HB PRO 57 -0.384 6.531 1.600 422 2HB PRO 57 2HB PRO 57 0.562 6.205 0.112 423 1HG PRO 57 1HG PRO 57 1.776 6.793 2.878 424 2HG PRO 57 2HG PRO 57 2.019 5.530 1.627 425 1HD PRO 57 1HD PRO 57 3.524 7.877 1.818 426 2HD PRO 57 2HD PRO 57 3.243 7.009 0.279 427 H ALA 58 H ALA 58 1.409 8.813 3.089 428 HA ALA 58 HA ALA 58 -0.955 9.526 4.313 429 1HB ALA 58 1HB ALA 58 1.578 10.911 5.108 430 2HB ALA 58 2HB ALA 58 1.577 9.131 5.120 431 3HB ALA 58 3HB ALA 58 0.397 10.028 6.105 432 H ASN 59 H ASN 59 0.881 11.188 1.873 433 HA ASN 59 HA ASN 59 -0.145 13.755 2.633 434 1HB ASN 59 1HB ASN 59 2.159 13.109 1.421 435 2HB ASN 59 2HB ASN 59 1.184 13.176 -0.034 436 1HD2 ASN 59 2HD2 ASN 59 3.221 14.880 0.184 437 2HD2 ASN 59 1HD2 ASN 59 2.694 16.507 0.455 438 H VAL 60 H VAL 60 -1.154 15.071 0.615 439 HA VAL 60 HA VAL 60 -3.496 13.663 -0.147 440 HB VAL 60 HB VAL 60 -2.357 16.369 -0.858 441 1HG1 VAL 60 1HG1 VAL 60 -3.949 15.316 -2.591 442 2HG1 VAL 60 2HG1 VAL 60 -5.214 15.522 -1.356 443 3HG1 VAL 60 3HG1 VAL 60 -4.340 16.942 -1.980 444 1HG2 VAL 60 1HG2 VAL 60 -3.023 15.967 1.521 445 2HG2 VAL 60 2HG2 VAL 60 -3.961 17.246 0.713 446 3HG2 VAL 60 3HG2 VAL 60 -4.677 15.634 0.955 447 H GLY 61 H GLY 61 -4.043 12.690 -2.081 448 1HA GLY 61 1HA GLY 61 -3.058 11.261 -3.735 449 2HA GLY 61 2HA GLY 61 -1.854 12.493 -4.056 450 H LYS 62 H LYS 62 -3.061 11.651 -6.279 451 HA LYS 62 HA LYS 62 -5.503 13.018 -6.817 452 1HB LYS 62 1HB LYS 62 -4.118 14.979 -6.868 453 2HB LYS 62 2HB LYS 62 -2.911 14.185 -7.860 454 1HG LYS 62 1HG LYS 62 -4.516 13.991 -9.732 455 2HG LYS 62 2HG LYS 62 -5.797 14.661 -8.741 456 1HD LYS 62 1HD LYS 62 -4.234 16.734 -8.445 457 2HD LYS 62 2HD LYS 62 -3.309 16.071 -9.778 458 1HE LYS 62 1HE LYS 62 -5.764 15.908 -10.905 459 2HE LYS 62 2HE LYS 62 -6.098 17.209 -9.780 460 1HZ LYS 62 1HZ LYS 62 -3.751 17.266 -11.531 461 2HZ LYS 62 2HZ LYS 62 -5.201 17.840 -12.016 462 3HZ LYS 62 3HZ LYS 62 -4.444 18.512 -10.734 463 H ASN 63 H ASN 63 -6.541 12.020 -8.505 464 HA ASN 63 HA ASN 63 -5.222 9.741 -9.562 465 1HB ASN 63 1HB ASN 63 -7.987 10.978 -9.908 466 2HB ASN 63 2HB ASN 63 -7.494 9.616 -10.894 467 1HD2 ASN 63 2HD2 ASN 63 -9.611 9.232 -9.386 468 2HD2 ASN 63 1HD2 ASN 63 -9.295 8.229 -8.009 469 H ILE 64 H ILE 64 -4.168 9.649 -11.566 470 HA ILE 64 HA ILE 64 -4.123 12.064 -13.147 471 HB ILE 64 HB ILE 64 -2.235 11.194 -14.168 472 1HG1 ILE 64 1HG1 ILE 64 -3.003 8.415 -13.227 473 2HG1 ILE 64 2HG1 ILE 64 -3.249 9.035 -14.848 474 1HG2 ILE 64 1HG2 ILE 64 -2.397 11.254 -11.400 475 2HG2 ILE 64 2HG2 ILE 64 -1.585 9.708 -11.747 476 3HG2 ILE 64 3HG2 ILE 64 -0.910 11.229 -12.379 477 1HD1 ILE 64 1HD1 ILE 64 -0.537 9.604 -14.277 478 2HD1 ILE 64 2HD1 ILE 64 -0.817 7.967 -13.637 479 3HD1 ILE 64 3HD1 ILE 64 -1.157 8.324 -15.347 480 H VAL 65 H VAL 65 -6.403 9.803 -12.838 481 HA VAL 65 HA VAL 65 -6.699 9.116 -15.633 482 HB VAL 65 HB VAL 65 -8.253 8.502 -13.120 483 1HG1 VAL 65 1HG1 VAL 65 -8.986 8.113 -15.986 484 2HG1 VAL 65 2HG1 VAL 65 -9.320 6.773 -14.864 485 3HG1 VAL 65 3HG1 VAL 65 -10.019 8.382 -14.562 486 1HG2 VAL 65 1HG2 VAL 65 -6.141 7.154 -14.698 487 2HG2 VAL 65 2HG2 VAL 65 -6.557 7.014 -12.972 488 3HG2 VAL 65 3HG2 VAL 65 -7.495 6.117 -14.190 489 H THR 66 H THR 66 -8.592 10.898 -13.089 490 HA THR 66 HA THR 66 -9.845 12.397 -15.296 491 HB THR 66 HB THR 66 -11.834 12.444 -13.974 492 HG1 THR 66 HG1 THR 66 -11.600 11.908 -11.647 493 1HG2 THR 66 1HG2 THR 66 -11.202 10.038 -14.667 494 2HG2 THR 66 2HG2 THR 66 -10.554 9.836 -13.021 495 3HG2 THR 66 3HG2 THR 66 -12.287 10.168 -13.262 496 H GLY 67 H GLY 67 -8.096 12.551 -12.199 497 1HA GLY 67 1HA GLY 67 -7.374 15.293 -12.791 498 2HA GLY 67 2HA GLY 67 -6.758 14.271 -11.507 499 H LYS 68 H LYS 68 -9.284 13.437 -10.346 500 HA LYS 68 HA LYS 68 -10.767 15.809 -9.731 501 1HB LYS 68 1HB LYS 68 -11.891 13.660 -9.928 502 2HB LYS 68 2HB LYS 68 -10.899 12.977 -8.656 503 1HG LYS 68 1HG LYS 68 -12.515 13.649 -7.205 504 2HG LYS 68 2HG LYS 68 -11.924 15.281 -7.450 505 1HD LYS 68 1HD LYS 68 -14.176 15.561 -8.002 506 2HD LYS 68 2HD LYS 68 -13.498 15.245 -9.586 507 1HE LYS 68 1HE LYS 68 -15.060 13.588 -9.739 508 2HE LYS 68 2HE LYS 68 -14.000 12.669 -8.688 509 1HZ LYS 68 1HZ LYS 68 -15.367 14.211 -6.971 510 2HZ LYS 68 2HZ LYS 68 -16.503 13.881 -8.096 511 3HZ LYS 68 3HZ LYS 68 -15.733 12.661 -7.331 512 H GLU 69 H GLU 69 -9.750 13.540 -7.179 513 HA GLU 69 HA GLU 69 -7.640 14.928 -6.160 514 1HB GLU 69 1HB GLU 69 -8.630 16.261 -4.327 515 2HB GLU 69 2HB GLU 69 -9.147 16.859 -5.891 516 1HG GLU 69 1HG GLU 69 -11.227 15.300 -5.583 517 2HG GLU 69 2HG GLU 69 -10.742 15.200 -3.902 518 H ILE 70 H ILE 70 -6.705 13.393 -4.881 519 HA ILE 70 HA ILE 70 -8.530 11.556 -3.496 520 HB ILE 70 HB ILE 70 -5.711 11.047 -4.449 521 1HG1 ILE 70 1HG1 ILE 70 -7.682 11.392 -6.173 522 2HG1 ILE 70 2HG1 ILE 70 -6.490 10.125 -6.384 523 1HG2 ILE 70 1HG2 ILE 70 -7.801 9.268 -3.174 524 2HG2 ILE 70 2HG2 ILE 70 -6.348 8.660 -4.003 525 3HG2 ILE 70 3HG2 ILE 70 -6.184 9.680 -2.554 526 1HD1 ILE 70 1HD1 ILE 70 -8.965 9.515 -4.764 527 2HD1 ILE 70 2HD1 ILE 70 -9.081 9.565 -6.540 528 3HD1 ILE 70 3HD1 ILE 70 -7.967 8.422 -5.752 529 HA PRO 71 HA PRO 71 -6.887 13.356 0.178 530 1HB PRO 71 1HB PRO 71 -8.323 11.825 1.936 531 2HB PRO 71 2HB PRO 71 -9.086 13.086 0.913 532 1HG PRO 71 1HG PRO 71 -9.075 10.097 0.475 533 2HG PRO 71 2HG PRO 71 -10.331 11.370 0.333 534 1HD PRO 71 1HD PRO 71 -8.767 10.322 -1.789 535 2HD PRO 71 2HD PRO 71 -9.622 11.894 -1.822 536 HA PRO 72 HA PRO 72 -3.505 11.127 1.843 537 1HB PRO 72 1HB PRO 72 -5.129 10.605 4.354 538 2HB PRO 72 2HB PRO 72 -3.464 11.242 4.151 539 1HG PRO 72 1HG PRO 72 -5.686 12.955 4.629 540 2HG PRO 72 2HG PRO 72 -4.097 13.165 3.822 541 1HD PRO 72 1HD PRO 72 -6.871 12.986 2.664 542 2HD PRO 72 2HD PRO 72 -5.400 13.737 1.974 543 H LEU 73 H LEU 73 -2.879 9.001 1.408 544 HA LEU 73 HA LEU 73 -5.004 7.086 1.070 545 1HB LEU 73 1HB LEU 73 -3.468 7.075 -0.665 546 2HB LEU 73 2HB LEU 73 -2.088 7.218 0.405 547 HG LEU 73 HG LEU 73 -2.843 4.831 1.231 548 1HD1 LEU 73 1HD1 LEU 73 -4.269 5.144 -1.400 549 2HD1 LEU 73 2HD1 LEU 73 -3.678 3.554 -0.860 550 3HD1 LEU 73 3HD1 LEU 73 -4.853 4.450 0.132 551 1HD2 LEU 73 1HD2 LEU 73 -1.119 5.756 -0.960 552 2HD2 LEU 73 2HD2 LEU 73 -0.777 4.647 0.390 553 3HD2 LEU 73 3HD2 LEU 73 -1.589 4.043 -1.075 554 H ALA 74 H ALA 74 -2.445 7.894 3.389 555 HA ALA 74 HA ALA 74 -1.977 5.618 4.712 556 1HB ALA 74 1HB ALA 74 -2.491 8.443 5.660 557 2HB ALA 74 2HB ALA 74 -0.945 7.573 5.510 558 3HB ALA 74 3HB ALA 74 -2.078 7.156 6.817 559 HA PRO 75 HA PRO 75 -6.229 4.267 5.366 560 1HB PRO 75 1HB PRO 75 -4.748 1.788 6.162 561 2HB PRO 75 2HB PRO 75 -6.013 2.043 4.916 562 1HG PRO 75 1HG PRO 75 -3.374 1.647 4.058 563 2HG PRO 75 2HG PRO 75 -4.706 2.669 3.426 564 1HD PRO 75 1HD PRO 75 -2.394 3.431 5.309 565 2HD PRO 75 2HD PRO 75 -2.845 4.192 3.753 566 H ARG 76 H ARG 76 -3.473 4.746 7.451 567 HA ARG 76 HA ARG 76 -5.008 3.877 9.739 568 1HB ARG 76 1HB ARG 76 -2.647 3.168 9.663 569 2HB ARG 76 2HB ARG 76 -2.114 4.824 9.445 570 1HG ARG 76 1HG ARG 76 -3.740 4.847 11.786 571 2HG ARG 76 2HG ARG 76 -2.746 3.410 11.920 572 1HD ARG 76 1HD ARG 76 -1.279 4.969 12.836 573 2HD ARG 76 2HD ARG 76 -0.790 5.077 11.156 574 HE ARG 76 HE ARG 76 -1.833 7.199 10.984 575 1HH1 ARG 76 1HH1 ARG 76 -2.689 9.111 11.897 576 2HH1 ARG 76 2HH1 ARG 76 -3.289 9.100 13.522 577 1HH2 ARG 76 1HH2 ARG 76 -2.573 5.697 14.078 578 2HH2 ARG 76 2HH2 ARG 76 -3.223 7.145 14.771 579 H VAL 77 H VAL 77 -3.336 6.769 8.342 580 HA VAL 77 HA VAL 77 -3.738 8.578 10.338 581 HB VAL 77 HB VAL 77 -3.718 8.789 7.338 582 1HG1 VAL 77 1HG1 VAL 77 -5.148 10.618 8.298 583 2HG1 VAL 77 2HG1 VAL 77 -3.733 11.160 9.232 584 3HG1 VAL 77 3HG1 VAL 77 -3.690 11.189 7.452 585 1HG2 VAL 77 1HG2 VAL 77 -1.715 8.442 9.222 586 2HG2 VAL 77 2HG2 VAL 77 -1.500 9.031 7.556 587 3HG2 VAL 77 3HG2 VAL 77 -1.671 10.191 8.895 588 H ASN 78 H ASN 78 -6.062 7.449 7.823 589 HA ASN 78 HA ASN 78 -8.080 9.082 9.116 590 1HB ASN 78 1HB ASN 78 -8.523 7.409 6.613 591 2HB ASN 78 2HB ASN 78 -9.360 8.869 7.100 592 1HD2 ASN 78 2HD2 ASN 78 -8.570 8.904 4.637 593 2HD2 ASN 78 1HD2 ASN 78 -7.159 9.870 4.361 594 H THR 79 H THR 79 -10.125 8.045 9.801 595 HA THR 79 HA THR 79 -9.722 5.329 10.701 596 HB THR 79 HB THR 79 -11.661 5.811 12.078 597 HG1 THR 79 HG1 THR 79 -11.947 8.200 10.413 598 1HG2 THR 79 1HG2 THR 79 -9.566 7.289 12.536 599 2HG2 THR 79 2HG2 THR 79 -10.433 8.574 11.660 600 3HG2 THR 79 3HG2 THR 79 -11.120 7.897 13.156 601 H LYS 80 H LYS 80 -11.908 7.102 8.445 602 HA LYS 80 HA LYS 80 -13.322 4.733 7.765 603 1HB LYS 80 1HB LYS 80 -13.210 7.534 6.641 604 2HB LYS 80 2HB LYS 80 -14.138 6.268 5.862 605 1HG LYS 80 1HG LYS 80 -15.622 6.036 7.689 606 2HG LYS 80 2HG LYS 80 -14.484 6.717 8.835 607 1HD LYS 80 1HD LYS 80 -14.817 8.840 7.089 608 2HD LYS 80 2HD LYS 80 -16.403 8.098 7.024 609 1HE LYS 80 1HE LYS 80 -15.815 8.061 9.763 610 2HE LYS 80 2HE LYS 80 -15.115 9.579 9.237 611 1HZ LYS 80 1HZ LYS 80 -17.648 9.182 8.073 612 2HZ LYS 80 2HZ LYS 80 -17.748 9.083 9.700 613 3HZ LYS 80 3HZ LYS 80 -17.124 10.420 9.001 614 H ARG 81 H ARG 81 -10.964 3.675 7.594 615 HA ARG 81 HA ARG 81 -10.537 3.516 4.746 616 1HB ARG 81 1HB ARG 81 -8.454 4.276 6.813 617 2HB ARG 81 2HB ARG 81 -7.952 3.336 5.422 618 1HG ARG 81 1HG ARG 81 -9.643 5.806 4.982 619 2HG ARG 81 2HG ARG 81 -7.938 6.000 5.335 620 1HD ARG 81 1HD ARG 81 -7.384 4.461 3.421 621 2HD ARG 81 2HD ARG 81 -9.092 4.319 3.056 622 HE ARG 81 HE ARG 81 -7.380 6.669 2.565 623 1HH1 ARG 81 1HH1 ARG 81 -8.274 8.358 1.313 624 2HH1 ARG 81 2HH1 ARG 81 -9.975 8.384 0.984 625 1HH2 ARG 81 1HH2 ARG 81 -10.666 5.424 2.763 626 2HH2 ARG 81 2HH2 ARG 81 -11.344 6.705 1.814 627 H PHE 82 H PHE 82 -8.351 2.271 7.306 628 HA PHE 82 HA PHE 82 -8.863 -0.408 6.431 629 1HB PHE 82 1HB PHE 82 -7.032 1.144 8.268 630 2HB PHE 82 2HB PHE 82 -7.250 -0.546 8.678 631 HD1 PHE 82 HD1 PHE 82 -4.753 -0.653 8.273 632 HD2 PHE 82 HD2 PHE 82 -7.535 0.145 5.169 633 HE1 PHE 82 HE1 PHE 82 -3.029 -1.289 6.563 634 HE2 PHE 82 HE2 PHE 82 -5.811 -0.492 3.460 635 HZ PHE 82 HZ PHE 82 -3.579 -1.201 4.178 636 H THR 83 H THR 83 -11.291 0.509 7.341 637 HA THR 83 HA THR 83 -11.557 -0.279 10.127 638 HB THR 83 HB THR 83 -13.646 0.668 8.098 639 HG1 THR 83 HG1 THR 83 -11.955 2.016 10.087 640 1HG2 THR 83 1HG2 THR 83 -13.743 -0.088 10.916 641 2HG2 THR 83 2HG2 THR 83 -14.053 1.657 10.749 642 3HG2 THR 83 3HG2 THR 83 -15.069 0.485 9.876 643 H ASP 84 H ASP 84 -11.470 -1.809 7.092 644 HA ASP 84 HA ASP 84 -12.943 -4.030 8.267 645 1HB ASP 84 1HB ASP 84 -14.437 -3.549 6.567 646 2HB ASP 84 2HB ASP 84 -13.235 -2.712 5.604 647 H ILE 85 H ILE 85 -11.498 -5.738 8.530 648 HA ILE 85 HA ILE 85 -9.044 -5.694 6.981 649 HB ILE 85 HB ILE 85 -9.245 -5.995 9.523 650 1HG1 ILE 85 1HG1 ILE 85 -7.580 -8.094 8.135 651 2HG1 ILE 85 2HG1 ILE 85 -7.234 -6.387 7.947 652 1HG2 ILE 85 1HG2 ILE 85 -10.828 -8.179 8.729 653 2HG2 ILE 85 2HG2 ILE 85 -9.316 -8.873 9.360 654 3HG2 ILE 85 3HG2 ILE 85 -10.277 -7.766 10.370 655 1HD1 ILE 85 1HD1 ILE 85 -7.692 -7.059 10.765 656 2HD1 ILE 85 2HD1 ILE 85 -6.384 -8.038 10.058 657 3HD1 ILE 85 3HD1 ILE 85 -6.293 -6.261 10.008 658 H ASP 86 H ASP 86 -12.024 -6.547 6.182 659 HA ASP 86 HA ASP 86 -11.452 -9.247 5.374 660 1HB ASP 86 1HB ASP 86 -13.810 -7.626 5.841 661 2HB ASP 86 2HB ASP 86 -13.882 -8.243 4.203 662 H LYS 87 H LYS 87 -13.083 -6.498 3.634 663 HA LYS 87 HA LYS 87 -12.427 -7.253 1.101 664 1HB LYS 87 1HB LYS 87 -13.811 -5.196 2.249 665 2HB LYS 87 2HB LYS 87 -12.438 -4.334 1.584 666 1HG LYS 87 1HG LYS 87 -13.006 -4.823 -0.613 667 2HG LYS 87 2HG LYS 87 -13.684 -6.388 -0.209 668 1HD LYS 87 1HD LYS 87 -15.688 -5.285 0.777 669 2HD LYS 87 2HD LYS 87 -15.005 -3.708 0.434 670 1HE LYS 87 1HE LYS 87 -15.486 -3.832 -1.822 671 2HE LYS 87 2HE LYS 87 -15.133 -5.547 -1.915 672 1HZ LYS 87 1HZ LYS 87 -17.309 -5.497 -0.372 673 2HZ LYS 87 2HZ LYS 87 -17.612 -4.243 -1.373 674 3HZ LYS 87 3HZ LYS 87 -17.330 -5.729 -1.988 675 H VAL 88 H VAL 88 -10.366 -5.862 3.592 676 HA VAL 88 HA VAL 88 -8.415 -4.597 2.257 677 HB VAL 88 HB VAL 88 -8.562 -6.338 4.640 678 1HG1 VAL 88 1HG1 VAL 88 -6.535 -7.227 3.559 679 2HG1 VAL 88 2HG1 VAL 88 -5.875 -5.578 3.442 680 3HG1 VAL 88 3HG1 VAL 88 -6.145 -6.317 5.038 681 1HG2 VAL 88 1HG2 VAL 88 -8.869 -3.757 4.398 682 2HG2 VAL 88 2HG2 VAL 88 -7.964 -4.405 5.787 683 3HG2 VAL 88 3HG2 VAL 88 -7.089 -3.722 4.396 684 H GLU 89 H GLU 89 -8.657 -8.201 2.647 685 HA GLU 89 HA GLU 89 -6.549 -8.495 0.723 686 1HB GLU 89 1HB GLU 89 -6.860 -9.936 2.829 687 2HB GLU 89 2HB GLU 89 -8.214 -10.693 2.014 688 1HG GLU 89 1HG GLU 89 -6.759 -11.452 0.181 689 2HG GLU 89 2HG GLU 89 -5.400 -10.560 0.835 690 H ASP 90 H ASP 90 -7.790 -7.411 -1.051 691 HA ASP 90 HA ASP 90 -8.914 -9.329 -2.719 692 1HB ASP 90 1HB ASP 90 -10.993 -9.228 -1.623 693 2HB ASP 90 2HB ASP 90 -10.793 -7.546 -1.174 694 H GLU 91 H GLU 91 -9.752 -5.841 -2.045 695 HA GLU 91 HA GLU 91 -9.459 -5.028 -4.653 696 1HB GLU 91 1HB GLU 91 -9.644 -2.785 -3.803 697 2HB GLU 91 2HB GLU 91 -10.624 -3.799 -2.763 698 1HG GLU 91 1HG GLU 91 -8.967 -3.798 -1.013 699 2HG GLU 91 2HG GLU 91 -7.725 -3.171 -2.079 700 H PHE 92 H PHE 92 -7.085 -5.348 -2.000 701 HA PHE 92 HA PHE 92 -5.042 -3.832 -3.128 702 1HB PHE 92 1HB PHE 92 -5.576 -5.638 -0.930 703 2HB PHE 92 2HB PHE 92 -4.127 -6.236 -1.712 704 HD1 PHE 92 HD1 PHE 92 -2.760 -3.796 -2.541 705 HD2 PHE 92 HD2 PHE 92 -4.905 -4.609 1.029 706 HE1 PHE 92 HE1 PHE 92 -1.396 -2.072 -1.329 707 HE2 PHE 92 HE2 PHE 92 -3.540 -2.885 2.241 708 HZ PHE 92 HZ PHE 92 -1.802 -1.637 1.048 709 H THR 93 H THR 93 -6.220 -7.120 -3.797 710 HA THR 93 HA THR 93 -3.853 -7.771 -5.343 711 HB THR 93 HB THR 93 -6.350 -9.156 -4.351 712 HG1 THR 93 HG1 THR 93 -4.574 -9.710 -3.132 713 1HG2 THR 93 1HG2 THR 93 -4.589 -10.049 -6.688 714 2HG2 THR 93 2HG2 THR 93 -5.538 -11.186 -5.701 715 3HG2 THR 93 3HG2 THR 93 -6.365 -9.937 -6.661 716 H LYS 94 H LYS 94 -7.237 -6.730 -5.845 717 HA LYS 94 HA LYS 94 -7.164 -7.181 -8.642 718 1HB LYS 94 1HB LYS 94 -9.006 -5.252 -7.234 719 2HB LYS 94 2HB LYS 94 -9.305 -6.201 -8.676 720 1HG LYS 94 1HG LYS 94 -8.639 -8.120 -6.708 721 2HG LYS 94 2HG LYS 94 -9.634 -6.955 -5.856 722 1HD LYS 94 1HD LYS 94 -11.404 -8.099 -6.734 723 2HD LYS 94 2HD LYS 94 -11.052 -7.229 -8.214 724 1HE LYS 94 1HE LYS 94 -9.514 -9.769 -7.666 725 2HE LYS 94 2HE LYS 94 -11.189 -9.913 -8.163 726 1HZ LYS 94 1HZ LYS 94 -9.402 -8.163 -9.657 727 2HZ LYS 94 2HZ LYS 94 -9.354 -9.774 -9.920 728 3HZ LYS 94 3HZ LYS 94 -10.740 -8.946 -10.170 729 H HIS 95 H HIS 95 -6.129 -4.687 -6.475 730 HA HIS 95 HA HIS 95 -5.964 -2.517 -8.370 731 1HB HIS 95 1HB HIS 95 -6.069 -2.434 -5.817 732 2HB HIS 95 2HB HIS 95 -4.317 -2.910 -5.819 733 HD1 HIS 95 HD1 HIS 95 -5.010 -0.674 -8.552 734 HD2 HIS 95 HD2 HIS 95 -4.173 -0.253 -4.478 735 HE1 HIS 95 HE1 HIS 95 -4.258 1.769 -8.221 736 H CYS 96 H CYS 96 -3.408 -4.629 -6.929 737 HA CYS 96 HA CYS 96 -1.293 -3.772 -8.578 738 1HB CYS 96 1HB CYS 96 -1.903 -6.255 -6.981 739 2HB CYS 96 2HB CYS 96 -0.474 -6.222 -8.043 740 H ASN 97 H ASN 97 -4.081 -5.848 -9.290 741 HA ASN 97 HA ASN 97 -2.781 -7.063 -11.506 742 1HB ASN 97 1HB ASN 97 -5.328 -7.304 -10.075 743 2HB ASN 97 2HB ASN 97 -5.619 -7.262 -11.802 744 1HD2 ASN 97 2HD2 ASN 97 -4.902 -9.181 -9.210 745 2HD2 ASN 97 1HD2 ASN 97 -4.269 -10.585 -10.003 746 H ASP 98 H ASP 98 -4.214 -4.016 -10.798 747 HA ASP 98 HA ASP 98 -4.736 -3.579 -13.634 748 1HB ASP 98 1HB ASP 98 -6.426 -3.156 -11.396 749 2HB ASP 98 2HB ASP 98 -5.861 -1.555 -11.828 750 H ILE 99 H ILE 99 -2.381 -3.254 -11.436 751 HA ILE 99 HA ILE 99 -1.674 -0.544 -12.316 752 HB ILE 99 HB ILE 99 -1.325 -1.778 -9.585 753 1HG1 ILE 99 1HG1 ILE 99 -3.533 -0.861 -9.920 754 2HG1 ILE 99 2HG1 ILE 99 -2.626 0.178 -8.839 755 1HG2 ILE 99 1HG2 ILE 99 0.422 0.015 -10.920 756 2HG2 ILE 99 2HG2 ILE 99 -0.463 0.948 -9.688 757 3HG2 ILE 99 3HG2 ILE 99 0.451 -0.506 -9.218 758 1HD1 ILE 99 1HD1 ILE 99 -1.980 1.362 -11.204 759 2HD1 ILE 99 2HD1 ILE 99 -3.578 0.701 -11.626 760 3HD1 ILE 99 3HD1 ILE 99 -3.412 1.819 -10.251 761 H LEU 100 H LEU 100 -0.588 -3.805 -11.221 762 HA LEU 100 HA LEU 100 1.957 -3.280 -12.576 763 1HB LEU 100 1HB LEU 100 1.163 -5.194 -10.389 764 2HB LEU 100 2HB LEU 100 2.663 -5.355 -11.281 765 HG LEU 100 HG LEU 100 1.833 -3.012 -9.549 766 1HD1 LEU 100 1HD1 LEU 100 2.922 -5.449 -8.816 767 2HD1 LEU 100 2HD1 LEU 100 4.337 -4.374 -8.919 768 3HD1 LEU 100 3HD1 LEU 100 2.965 -3.942 -7.869 769 1HD2 LEU 100 1HD2 LEU 100 4.204 -3.371 -11.380 770 2HD2 LEU 100 2HD2 LEU 100 3.052 -2.017 -11.289 771 3HD2 LEU 100 3HD2 LEU 100 4.239 -2.265 -9.985 772 H GLY 101 H GLY 101 -0.990 -5.252 -12.512 773 1HA GLY 101 1HA GLY 101 -0.086 -6.518 -15.021 774 2HA GLY 101 2HA GLY 101 -1.745 -6.158 -14.588 775 H ALA 102 H ALA 102 -0.653 -7.088 -11.670 776 HA ALA 102 HA ALA 102 -1.836 -9.644 -11.836 777 1HB ALA 102 1HB ALA 102 1.128 -9.418 -12.105 778 2HB ALA 102 2HB ALA 102 0.523 -10.651 -10.973 779 3HB ALA 102 3HB ALA 102 0.020 -10.687 -12.680 780 H ASP 103 H ASP 103 -1.000 -10.859 -9.563 781 HA ASP 103 HA ASP 103 -1.791 -8.924 -7.617 782 1HB ASP 103 1HB ASP 103 -2.455 -11.485 -7.868 783 2HB ASP 103 2HB ASP 103 -0.963 -11.773 -6.995 784 H CYS 104 H CYS 104 -0.378 -7.883 -6.301 785 HA CYS 104 HA CYS 104 2.435 -8.089 -6.579 786 1HB CYS 104 1HB CYS 104 0.602 -6.821 -4.523 787 2HB CYS 104 2HB CYS 104 2.376 -6.721 -4.394 788 H SER 105 H SER 105 4.034 -8.713 -4.815 789 HA SER 105 HA SER 105 3.389 -11.306 -3.943 790 1HB SER 105 1HB SER 105 5.682 -10.584 -4.609 791 2HB SER 105 2HB SER 105 5.752 -9.515 -3.222 792 HG SER 105 HG SER 105 6.003 -12.326 -3.353 793 HA PRO 106 HA PRO 106 1.520 -10.621 -0.031 794 1HB PRO 106 1HB PRO 106 2.702 -12.754 1.355 795 2HB PRO 106 2HB PRO 106 1.324 -12.897 0.216 796 1HG PRO 106 1HG PRO 106 4.328 -13.467 -0.437 797 2HG PRO 106 2HG PRO 106 2.797 -14.347 -0.752 798 1HD PRO 106 1HD PRO 106 3.945 -12.642 -2.588 799 2HD PRO 106 2HD PRO 106 2.169 -12.794 -2.425 800 H SER 107 H SER 107 5.037 -10.685 -0.517 801 HA SER 107 HA SER 107 5.557 -9.876 2.164 802 1HB SER 107 1HB SER 107 7.879 -9.797 1.485 803 2HB SER 107 2HB SER 107 7.162 -11.223 0.762 804 HG SER 107 HG SER 107 6.784 -9.732 -1.182 805 H GLU 108 H GLU 108 5.302 -8.379 -1.102 806 HA GLU 108 HA GLU 108 6.207 -5.864 -0.294 807 1HB GLU 108 1HB GLU 108 4.354 -6.561 -2.614 808 2HB GLU 108 2HB GLU 108 5.293 -5.090 -2.454 809 1HG GLU 108 1HG GLU 108 6.580 -7.855 -2.475 810 2HG GLU 108 2HG GLU 108 6.301 -6.939 -3.943 811 H LYS 109 H LYS 109 3.251 -7.590 0.257 812 HA LYS 109 HA LYS 109 1.624 -5.231 0.512 813 1HB LYS 109 1HB LYS 109 0.890 -7.584 -0.254 814 2HB LYS 109 2HB LYS 109 0.921 -8.015 1.444 815 1HG LYS 109 1HG LYS 109 -1.255 -7.262 1.376 816 2HG LYS 109 2HG LYS 109 -0.492 -5.708 1.648 817 1HD LYS 109 1HD LYS 109 -1.794 -5.189 -0.212 818 2HD LYS 109 2HD LYS 109 -0.307 -5.660 -1.011 819 1HE LYS 109 1HE LYS 109 -2.239 -6.765 -2.084 820 2HE LYS 109 2HE LYS 109 -1.190 -7.961 -1.350 821 1HZ LYS 109 1HZ LYS 109 -3.477 -6.858 0.104 822 2HZ LYS 109 2HZ LYS 109 -3.640 -8.137 -0.897 823 3HZ LYS 109 3HZ LYS 109 -2.659 -8.239 0.404 824 H ALA 110 H ALA 110 2.818 -7.814 2.779 825 HA ALA 110 HA ALA 110 2.022 -6.526 5.096 826 1HB ALA 110 1HB ALA 110 4.514 -8.046 5.357 827 2HB ALA 110 2HB ALA 110 2.897 -8.388 6.021 828 3HB ALA 110 3HB ALA 110 3.306 -8.896 4.365 829 H ASN 111 H ASN 111 4.490 -5.706 2.801 830 HA ASN 111 HA ASN 111 6.143 -4.375 4.693 831 1HB ASN 111 1HB ASN 111 6.707 -5.376 2.281 832 2HB ASN 111 2HB ASN 111 6.169 -3.810 1.707 833 1HD2 ASN 111 2HD2 ASN 111 7.032 -1.957 3.247 834 2HD2 ASN 111 1HD2 ASN 111 8.745 -1.964 3.500 835 H PHE 112 H PHE 112 3.912 -3.443 1.965 836 HA PHE 112 HA PHE 112 4.081 -0.706 2.285 837 1HB PHE 112 1HB PHE 112 3.023 -2.009 0.388 838 2HB PHE 112 2HB PHE 112 1.752 -2.547 1.468 839 HD1 PHE 112 HD1 PHE 112 -0.095 -1.123 2.013 840 HD2 PHE 112 HD2 PHE 112 3.120 0.359 -0.326 841 HE1 PHE 112 HE1 PHE 112 -1.467 0.888 1.401 842 HE2 PHE 112 HE2 PHE 112 1.748 2.370 -0.938 843 HZ PHE 112 HZ PHE 112 -0.529 2.610 -0.068 844 H ILE 113 H ILE 113 1.801 -3.092 3.782 845 HA ILE 113 HA ILE 113 0.166 -1.281 5.062 846 HB ILE 113 HB ILE 113 0.935 -4.127 5.464 847 1HG1 ILE 113 1HG1 ILE 113 -1.889 -3.439 5.475 848 2HG1 ILE 113 2HG1 ILE 113 -1.076 -2.728 4.095 849 1HG2 ILE 113 1HG2 ILE 113 0.868 -3.201 7.754 850 2HG2 ILE 113 2HG2 ILE 113 -0.783 -2.612 7.448 851 3HG2 ILE 113 3HG2 ILE 113 -0.446 -4.360 7.437 852 1HD1 ILE 113 1HD1 ILE 113 -0.850 -5.665 4.904 853 2HD1 ILE 113 2HD1 ILE 113 -1.919 -5.038 3.625 854 3HD1 ILE 113 3HD1 ILE 113 -0.152 -4.917 3.447 855 H ALA 114 H ALA 114 3.441 -2.441 5.872 856 HA ALA 114 HA ALA 114 3.427 -1.422 8.513 857 1HB ALA 114 1HB ALA 114 5.746 -2.000 8.497 858 2HB ALA 114 2HB ALA 114 4.926 -3.228 7.503 859 3HB ALA 114 3HB ALA 114 5.830 -1.908 6.721 860 H TYR 115 H TYR 115 5.189 -0.334 5.582 861 HA TYR 115 HA TYR 115 6.043 2.139 6.507 862 1HB TYR 115 1HB TYR 115 6.147 0.753 4.147 863 2HB TYR 115 2HB TYR 115 5.078 2.098 3.711 864 HD1 TYR 115 HD1 TYR 115 8.423 1.288 5.161 865 HD2 TYR 115 HD2 TYR 115 5.944 4.248 3.279 866 HE1 TYR 115 HE1 TYR 115 10.395 2.766 4.889 867 HE2 TYR 115 HE2 TYR 115 7.916 5.727 3.006 868 HH TYR 115 HH TYR 115 10.132 6.054 3.538 869 H LEU 116 H LEU 116 2.763 1.150 5.455 870 HA LEU 116 HA LEU 116 1.850 3.844 5.231 871 1HB LEU 116 1HB LEU 116 0.795 1.135 4.876 872 2HB LEU 116 2HB LEU 116 -0.374 2.255 5.546 873 HG LEU 116 HG LEU 116 -0.602 2.192 3.153 874 1HD1 LEU 116 1HD1 LEU 116 -0.334 4.500 4.636 875 2HD1 LEU 116 2HD1 LEU 116 0.701 4.812 3.222 876 3HD1 LEU 116 3HD1 LEU 116 -1.011 4.381 2.994 877 1HD2 LEU 116 1HD2 LEU 116 2.361 2.779 3.105 878 2HD2 LEU 116 2HD2 LEU 116 1.484 1.410 2.379 879 3HD2 LEU 116 3HD2 LEU 116 1.301 3.045 1.700 880 H LEU 117 H LEU 117 1.738 1.238 7.723 881 HA LEU 117 HA LEU 117 0.352 3.019 9.533 882 1HB LEU 117 1HB LEU 117 0.008 1.174 10.876 883 2HB LEU 117 2HB LEU 117 -0.098 0.536 9.247 884 HG LEU 117 HG LEU 117 2.492 0.025 9.678 885 1HD1 LEU 117 1HD1 LEU 117 1.341 0.520 12.370 886 2HD1 LEU 117 2HD1 LEU 117 2.368 -0.923 12.185 887 3HD1 LEU 117 3HD1 LEU 117 3.012 0.686 11.779 888 1HD2 LEU 117 1HD2 LEU 117 0.110 -1.443 9.587 889 2HD2 LEU 117 2HD2 LEU 117 1.772 -2.059 9.422 890 3HD2 LEU 117 3HD2 LEU 117 0.981 -2.047 11.017 891 H THR 118 H THR 118 3.330 3.180 8.382 892 HA THR 118 HA THR 118 4.691 3.339 10.971 893 HB THR 118 HB THR 118 5.636 3.347 8.059 894 HG1 THR 118 HG1 THR 118 6.612 1.309 9.110 895 1HG2 THR 118 1HG2 THR 118 7.167 3.546 10.700 896 2HG2 THR 118 2HG2 THR 118 7.916 2.980 9.188 897 3HG2 THR 118 3HG2 THR 118 7.287 4.641 9.302 898 H GLU 119 H GLU 119 4.677 5.332 7.938 899 HA GLU 119 HA GLU 119 5.478 7.608 9.291 900 1HB GLU 119 1HB GLU 119 3.994 7.312 6.643 901 2HB GLU 119 2HB GLU 119 4.739 8.800 7.191 902 1HG GLU 119 1HG GLU 119 6.753 6.826 7.502 903 2HG GLU 119 2HG GLU 119 5.989 6.447 5.971 904 H THR 120 H THR 120 4.304 8.368 11.030 905 HA THR 120 HA THR 120 1.395 8.563 10.705 906 HB THR 120 HB THR 120 1.449 8.781 13.194 907 HG1 THR 120 HG1 THR 120 3.571 9.884 13.180 908 1HG2 THR 120 1HG2 THR 120 2.226 6.454 11.764 909 2HG2 THR 120 2HG2 THR 120 3.429 6.619 13.065 910 3HG2 THR 120 3HG2 THR 120 1.696 6.522 13.462 911 H LYS 121 H LYS 121 2.811 10.325 9.086 912 HA LYS 121 HA LYS 121 1.679 12.744 9.858 913 1HB LYS 121 1HB LYS 121 3.627 14.091 10.409 914 2HB LYS 121 2HB LYS 121 3.416 12.806 11.581 915 1HG LYS 121 1HG LYS 121 5.052 11.635 9.614 916 2HG LYS 121 2HG LYS 121 5.645 13.281 9.710 917 1HD LYS 121 1HD LYS 121 5.116 12.138 12.378 918 2HD LYS 121 2HD LYS 121 6.275 11.186 11.473 919 1HE LYS 121 1HE LYS 121 6.557 14.207 11.593 920 2HE LYS 121 2HE LYS 121 7.127 13.220 12.924 921 1HZ LYS 121 1HZ LYS 121 7.934 12.266 10.358 922 2HZ LYS 121 2HZ LYS 121 8.522 13.747 10.715 923 3HZ LYS 121 3HZ LYS 121 8.819 12.488 11.712 924 HA PRO 122 HA PRO 122 2.279 13.305 5.570 925 1HB PRO 122 1HB PRO 122 1.926 16.032 5.405 926 2HB PRO 122 2HB PRO 122 0.595 14.892 5.786 927 1HG PRO 122 1HG PRO 122 2.310 16.571 7.730 928 2HG PRO 122 2HG PRO 122 0.536 16.350 7.584 929 1HD PRO 122 1HD PRO 122 2.132 14.901 9.335 930 2HD PRO 122 2HD PRO 122 0.648 14.227 8.596 931 H THR 123 H THR 123 3.710 14.569 3.952 932 HA THR 123 HA THR 123 6.376 14.598 4.986 933 HB THR 123 HB THR 123 5.027 15.081 2.296 934 HG1 THR 123 HG1 THR 123 6.121 13.049 1.975 935 1HG2 THR 123 1HG2 THR 123 7.613 16.095 3.097 936 2HG2 THR 123 2HG2 THR 123 7.877 14.670 2.063 937 3HG2 THR 123 3HG2 THR 123 6.920 16.044 1.458 938 H LYS 124 H LYS 124 4.296 17.147 3.447 939 HA LYS 124 HA LYS 124 5.393 19.055 5.312 940 1HB LYS 124 1HB LYS 124 6.255 18.909 2.476 941 2HB LYS 124 2HB LYS 124 5.808 20.502 3.053 942 1HG LYS 124 1HG LYS 124 7.313 19.909 5.140 943 2HG LYS 124 2HG LYS 124 7.977 18.659 4.107 944 1HD LYS 124 1HD LYS 124 7.933 20.982 2.482 945 2HD LYS 124 2HD LYS 124 8.456 21.552 4.055 946 1HE LYS 124 1HE LYS 124 9.884 19.138 3.678 947 2HE LYS 124 2HE LYS 124 9.906 19.904 2.102 948 1HZ LYS 124 1HZ LYS 124 10.403 21.930 3.810 949 2HZ LYS 124 2HZ LYS 124 11.221 20.688 4.485 950 3HZ LYS 124 3HZ LYS 124 11.527 21.125 2.941 No H/Q in entry = 950 Start of MODEL 5 1 H1 ASP 1 H1 ASP 1 -7.955 1.092 16.622 2 H2 ASP 1 H2 ASP 1 -8.955 1.963 15.629 3 H3 ASP 1 H3 ASP 1 -9.136 0.321 15.753 4 HA ASP 1 HA ASP 1 -8.109 0.398 13.865 5 1HB ASP 1 1HB ASP 1 -6.093 2.482 14.707 6 2HB ASP 1 2HB ASP 1 -6.704 2.131 13.102 7 H VAL 2 H VAL 2 -5.714 -0.231 13.186 8 HA VAL 2 HA VAL 2 -3.692 -1.101 13.644 9 HB VAL 2 HB VAL 2 -4.281 -1.084 16.595 10 1HG1 VAL 2 1HG1 VAL 2 -2.231 -2.223 15.442 11 2HG1 VAL 2 2HG1 VAL 2 -1.623 -0.558 15.282 12 3HG1 VAL 2 3HG1 VAL 2 -1.980 -1.223 16.894 13 1HG2 VAL 2 1HG2 VAL 2 -4.125 1.223 14.854 14 2HG2 VAL 2 2HG2 VAL 2 -4.436 1.142 16.605 15 3HG2 VAL 2 3HG2 VAL 2 -2.763 1.213 16.000 16 H THR 3 H THR 3 -6.570 -2.170 15.505 17 HA THR 3 HA THR 3 -5.798 -4.817 15.903 18 HB THR 3 HB THR 3 -8.451 -3.338 15.647 19 HG1 THR 3 HG1 THR 3 -7.384 -2.996 17.620 20 1HG2 THR 3 1HG2 THR 3 -8.610 -5.884 15.032 21 2HG2 THR 3 2HG2 THR 3 -8.131 -6.172 16.722 22 3HG2 THR 3 3HG2 THR 3 -9.637 -5.294 16.361 23 H ASN 4 H ASN 4 -6.457 -3.135 12.963 24 HA ASN 4 HA ASN 4 -7.026 -5.667 11.655 25 1HB ASN 4 1HB ASN 4 -7.149 -3.605 9.725 26 2HB ASN 4 2HB ASN 4 -8.519 -4.371 10.504 27 1HD2 ASN 4 2HD2 ASN 4 -9.004 -3.542 12.760 28 2HD2 ASN 4 1HD2 ASN 4 -8.984 -1.826 12.997 29 H ALA 5 H ALA 5 -5.285 -2.544 10.898 30 HA ALA 5 HA ALA 5 -3.593 -3.407 8.989 31 1HB ALA 5 1HB ALA 5 -2.753 -1.557 11.247 32 2HB ALA 5 2HB ALA 5 -2.235 -1.516 9.545 33 3HB ALA 5 3HB ALA 5 -3.904 -1.075 9.978 34 H GLU 6 H GLU 6 -3.453 -4.074 12.487 35 HA GLU 6 HA GLU 6 -0.814 -5.029 12.441 36 1HB GLU 6 1HB GLU 6 -1.881 -4.264 14.516 37 2HB GLU 6 2HB GLU 6 -3.108 -5.509 14.392 38 1HG GLU 6 1HG GLU 6 -1.208 -6.052 15.994 39 2HG GLU 6 2HG GLU 6 -1.504 -7.275 14.774 40 H LYS 7 H LYS 7 -4.069 -6.576 12.187 41 HA LYS 7 HA LYS 7 -3.202 -9.212 12.230 42 1HB LYS 7 1HB LYS 7 -5.557 -8.350 12.460 43 2HB LYS 7 2HB LYS 7 -5.585 -8.096 10.726 44 1HG LYS 7 1HG LYS 7 -6.402 -10.248 10.710 45 2HG LYS 7 2HG LYS 7 -4.701 -10.665 10.744 46 1HD LYS 7 1HD LYS 7 -4.839 -11.524 12.854 47 2HD LYS 7 2HD LYS 7 -5.745 -10.147 13.449 48 1HE LYS 7 1HE LYS 7 -7.699 -11.301 13.333 49 2HE LYS 7 2HE LYS 7 -7.431 -11.686 11.645 50 1HZ LYS 7 1HZ LYS 7 -5.795 -13.168 13.465 51 2HZ LYS 7 2HZ LYS 7 -7.394 -13.467 13.611 52 3HZ LYS 7 3HZ LYS 7 -6.651 -13.686 12.174 53 H LEU 8 H LEU 8 -3.625 -6.898 9.482 54 HA LEU 8 HA LEU 8 -3.029 -8.660 7.446 55 1HB LEU 8 1HB LEU 8 -2.583 -5.692 7.737 56 2HB LEU 8 2HB LEU 8 -2.278 -6.561 6.246 57 HG LEU 8 HG LEU 8 -4.868 -5.874 7.563 58 1HD1 LEU 8 1HD1 LEU 8 -3.596 -5.635 4.879 59 2HD1 LEU 8 2HD1 LEU 8 -5.368 -5.796 4.947 60 3HD1 LEU 8 3HD1 LEU 8 -4.562 -4.462 5.807 61 1HD2 LEU 8 1HD2 LEU 8 -4.383 -8.402 5.991 62 2HD2 LEU 8 2HD2 LEU 8 -5.228 -8.188 7.543 63 3HD2 LEU 8 3HD2 LEU 8 -5.975 -7.607 6.035 64 H VAL 9 H VAL 9 -0.791 -6.499 9.318 65 HA VAL 9 HA VAL 9 1.534 -7.272 8.055 66 HB VAL 9 HB VAL 9 1.099 -6.491 10.945 67 1HG1 VAL 9 1HG1 VAL 9 3.582 -6.339 9.201 68 2HG1 VAL 9 2HG1 VAL 9 3.426 -5.668 10.842 69 3HG1 VAL 9 3HG1 VAL 9 3.326 -7.426 10.587 70 1HG2 VAL 9 1HG2 VAL 9 0.367 -5.023 8.764 71 2HG2 VAL 9 2HG2 VAL 9 0.866 -4.332 10.326 72 3HG2 VAL 9 3HG2 VAL 9 2.044 -4.475 9.000 73 H TYR 10 H TYR 10 0.000 -8.586 11.010 74 HA TYR 10 HA TYR 10 1.895 -10.736 11.289 75 1HB TYR 10 1HB TYR 10 0.403 -9.636 13.067 76 2HB TYR 10 2HB TYR 10 -0.911 -10.628 12.413 77 HD1 TYR 10 HD1 TYR 10 -0.937 -13.045 12.714 78 HD2 TYR 10 HD2 TYR 10 2.264 -10.647 14.281 79 HE1 TYR 10 HE1 TYR 10 -0.202 -14.948 14.124 80 HE2 TYR 10 HE2 TYR 10 2.999 -12.550 15.691 81 HH TYR 10 HH TYR 10 2.799 -14.931 15.923 82 H LYS 11 H LYS 11 -0.451 -10.186 8.914 83 HA LYS 11 HA LYS 11 -1.099 -13.033 8.733 84 1HB LYS 11 1HB LYS 11 -2.431 -10.513 7.860 85 2HB LYS 11 2HB LYS 11 -2.619 -11.911 6.821 86 1HG LYS 11 1HG LYS 11 -3.044 -12.188 9.813 87 2HG LYS 11 2HG LYS 11 -4.318 -11.523 8.810 88 1HD LYS 11 1HD LYS 11 -4.060 -13.608 7.313 89 2HD LYS 11 2HD LYS 11 -3.029 -14.275 8.562 90 1HE LYS 11 1HE LYS 11 -4.978 -13.800 10.213 91 2HE LYS 11 2HE LYS 11 -5.970 -13.515 8.797 92 1HZ LYS 11 1HZ LYS 11 -5.274 -15.741 8.029 93 2HZ LYS 11 2HZ LYS 11 -4.547 -15.992 9.470 94 3HZ LYS 11 3HZ LYS 11 -6.163 -15.769 9.398 95 H TYR 12 H TYR 12 -0.536 -10.399 6.376 96 HA TYR 12 HA TYR 12 0.429 -11.969 4.294 97 1HB TYR 12 1HB TYR 12 1.128 -9.137 5.125 98 2HB TYR 12 2HB TYR 12 1.613 -9.856 3.580 99 HD1 TYR 12 HD1 TYR 12 -0.127 -10.519 1.913 100 HD2 TYR 12 HD2 TYR 12 -1.093 -8.338 5.486 101 HE1 TYR 12 HE1 TYR 12 -2.306 -9.865 0.925 102 HE2 TYR 12 HE2 TYR 12 -3.271 -7.684 4.498 103 HH TYR 12 HH TYR 12 -4.647 -7.809 2.681 104 H THR 13 H THR 13 2.014 -11.143 7.347 105 HA THR 13 HA THR 13 4.659 -11.622 6.342 106 HB THR 13 HB THR 13 3.438 -11.328 9.136 107 HG1 THR 13 HG1 THR 13 5.019 -9.713 7.261 108 1HG2 THR 13 1HG2 THR 13 5.942 -12.439 8.576 109 2HG2 THR 13 2HG2 THR 13 6.306 -10.701 8.707 110 3HG2 THR 13 3HG2 THR 13 5.531 -11.552 10.064 111 H ASN 14 H ASN 14 2.210 -13.490 8.222 112 HA ASN 14 HA ASN 14 3.828 -15.660 8.692 113 1HB ASN 14 1HB ASN 14 0.879 -15.119 8.597 114 2HB ASN 14 2HB ASN 14 1.329 -16.806 8.449 115 1HD2 ASN 14 2HD2 ASN 14 1.024 -17.737 10.323 116 2HD2 ASN 14 1HD2 ASN 14 1.561 -17.176 11.871 117 H ILE 15 H ILE 15 1.425 -14.978 6.042 118 HA ILE 15 HA ILE 15 1.692 -17.344 4.657 119 HB ILE 15 HB ILE 15 0.879 -14.556 3.970 120 1HG1 ILE 15 1HG1 ILE 15 -0.797 -16.932 3.379 121 2HG1 ILE 15 2HG1 ILE 15 -0.447 -16.651 5.073 122 1HG2 ILE 15 1HG2 ILE 15 1.640 -16.682 2.011 123 2HG2 ILE 15 2HG2 ILE 15 0.209 -15.678 1.675 124 3HG2 ILE 15 3HG2 ILE 15 1.798 -14.912 1.906 125 1HD1 ILE 15 1HD1 ILE 15 -1.459 -14.449 3.225 126 2HD1 ILE 15 2HD1 ILE 15 -2.542 -15.492 4.178 127 3HD1 ILE 15 3HD1 ILE 15 -1.381 -14.425 5.003 128 H ALA 16 H ALA 16 3.621 -14.296 4.430 129 HA ALA 16 HA ALA 16 5.223 -15.131 2.303 130 1HB ALA 16 1HB ALA 16 5.064 -12.951 4.232 131 2HB ALA 16 2HB ALA 16 6.754 -13.419 3.927 132 3HB ALA 16 3HB ALA 16 5.703 -12.948 2.571 133 H HIS 17 H HIS 17 5.476 -15.564 5.869 134 HA HIS 17 HA HIS 17 8.045 -16.738 5.722 135 1HB HIS 17 1HB HIS 17 6.829 -15.575 7.701 136 2HB HIS 17 2HB HIS 17 6.082 -17.137 7.973 137 HD1 HIS 17 HD1 HIS 17 9.727 -16.310 7.088 138 HD2 HIS 17 HD2 HIS 17 7.464 -18.187 10.080 139 HE1 HIS 17 HE1 HIS 17 11.403 -17.296 8.739 140 H SER 18 H SER 18 4.700 -17.885 5.420 141 HA SER 18 HA SER 18 5.318 -20.587 5.858 142 1HB SER 18 1HB SER 18 3.030 -19.628 6.080 143 2HB SER 18 2HB SER 18 2.987 -19.314 4.356 144 HG SER 18 HG SER 18 3.407 -21.960 5.445 145 H ALA 19 H ALA 19 5.915 -18.386 3.260 146 HA ALA 19 HA ALA 19 6.092 -20.571 1.318 147 1HB ALA 19 1HB ALA 19 4.916 -18.159 1.052 148 2HB ALA 19 2HB ALA 19 6.570 -17.718 0.562 149 3HB ALA 19 3HB ALA 19 5.696 -19.001 -0.309 150 H ASN 20 H ASN 20 7.933 -18.202 3.226 151 HA ASN 20 HA ASN 20 10.328 -19.548 2.312 152 1HB ASN 20 1HB ASN 20 9.677 -16.986 1.404 153 2HB ASN 20 2HB ASN 20 10.682 -16.630 2.795 154 1HD2 ASN 20 2HD2 ASN 20 12.497 -18.586 2.882 155 2HD2 ASN 20 1HD2 ASN 20 13.498 -18.618 1.469 156 HA PRO 21 HA PRO 21 10.553 -19.357 6.815 157 1HB PRO 21 1HB PRO 21 12.439 -21.267 7.137 158 2HB PRO 21 2HB PRO 21 10.800 -21.685 6.539 159 1HG PRO 21 1HG PRO 21 13.089 -21.030 5.221 160 2HG PRO 21 2HG PRO 21 12.375 -22.552 4.593 161 1HD PRO 21 1HD PRO 21 11.953 -20.431 3.135 162 2HD PRO 21 2HD PRO 21 10.467 -21.267 3.681 163 H MET 22 H MET 22 11.691 -17.146 5.438 164 HA MET 22 HA MET 22 14.071 -16.861 7.013 165 1HB MET 22 1HB MET 22 15.471 -16.167 5.094 166 2HB MET 22 2HB MET 22 14.858 -17.780 4.791 167 1HG MET 22 1HG MET 22 12.941 -16.706 3.469 168 2HG MET 22 2HG MET 22 13.770 -15.171 3.635 169 1HE MET 22 1HE MET 22 13.128 -15.508 1.232 170 2HE MET 22 2HE MET 22 14.690 -14.832 0.710 171 3HE MET 22 3HE MET 22 14.103 -16.359 0.009 172 H TYR 23 H TYR 23 11.507 -15.771 7.254 173 HA TYR 23 HA TYR 23 12.137 -12.913 6.997 174 1HB TYR 23 1HB TYR 23 10.981 -13.529 4.884 175 2HB TYR 23 2HB TYR 23 9.610 -14.127 5.832 176 HD1 TYR 23 HD1 TYR 23 7.795 -12.714 6.004 177 HD2 TYR 23 HD2 TYR 23 11.724 -11.017 5.638 178 HE1 TYR 23 HE1 TYR 23 6.813 -10.436 6.023 179 HE2 TYR 23 HE2 TYR 23 10.742 -8.740 5.657 180 HH TYR 23 HH TYR 23 8.157 -7.780 4.984 181 H GLU 24 H GLU 24 11.676 -11.995 8.976 182 HA GLU 24 HA GLU 24 9.774 -13.462 10.607 183 1HB GLU 24 1HB GLU 24 11.985 -11.484 11.276 184 2HB GLU 24 2HB GLU 24 10.788 -11.964 12.462 185 1HG GLU 24 1HG GLU 24 11.984 -14.260 11.014 186 2HG GLU 24 2HG GLU 24 13.160 -13.324 11.917 187 H ALA 25 H ALA 25 10.618 -10.149 9.433 188 HA ALA 25 HA ALA 25 7.884 -9.433 9.278 189 1HB ALA 25 1HB ALA 25 9.328 -7.714 11.264 190 2HB ALA 25 2HB ALA 25 8.689 -9.276 11.830 191 3HB ALA 25 3HB ALA 25 7.591 -8.072 11.115 192 HA PRO 26 HA PRO 26 9.435 -6.331 6.603 193 1HB PRO 26 1HB PRO 26 7.977 -4.149 8.041 194 2HB PRO 26 2HB PRO 26 7.743 -4.820 6.393 195 1HG PRO 26 1HG PRO 26 5.757 -5.574 8.383 196 2HG PRO 26 2HG PRO 26 6.475 -6.557 7.065 197 1HD PRO 26 1HD PRO 26 7.489 -6.208 9.957 198 2HD PRO 26 2HD PRO 26 6.919 -7.721 9.189 199 H SER 27 H SER 27 10.264 -3.732 6.739 200 HA SER 27 HA SER 27 11.769 -3.426 9.172 201 1HB SER 27 1HB SER 27 12.951 -4.564 6.832 202 2HB SER 27 2HB SER 27 13.571 -2.930 6.951 203 HG SER 27 HG SER 27 14.196 -3.397 9.176 204 H ILE 28 H ILE 28 9.526 -2.121 7.530 205 HA ILE 28 HA ILE 28 8.938 -0.137 6.702 206 HB ILE 28 HB ILE 28 9.595 1.769 8.159 207 1HG1 ILE 28 1HG1 ILE 28 11.243 -0.295 9.648 208 2HG1 ILE 28 2HG1 ILE 28 11.910 0.968 8.632 209 1HG2 ILE 28 1HG2 ILE 28 8.317 -0.749 9.018 210 2HG2 ILE 28 2HG2 ILE 28 8.802 0.347 10.334 211 3HG2 ILE 28 3HG2 ILE 28 7.713 0.925 9.050 212 1HD1 ILE 28 1HD1 ILE 28 9.946 1.962 10.623 213 2HD1 ILE 28 2HD1 ILE 28 11.404 1.229 11.335 214 3HD1 ILE 28 3HD1 ILE 28 11.557 2.592 10.201 215 H THR 29 H THR 29 10.743 -1.202 4.982 216 HA THR 29 HA THR 29 12.358 1.150 4.262 217 HB THR 29 HB THR 29 13.144 -1.808 4.104 218 HG1 THR 29 HG1 THR 29 13.304 -0.868 6.237 219 1HG2 THR 29 1HG2 THR 29 14.055 0.242 2.455 220 2HG2 THR 29 2HG2 THR 29 15.182 0.341 3.830 221 3HG2 THR 29 3HG2 THR 29 15.019 -1.180 2.921 222 H ASP 30 H ASP 30 11.237 -2.034 2.919 223 HA ASP 30 HA ASP 30 11.285 -1.427 0.340 224 1HB ASP 30 1HB ASP 30 10.086 -3.389 1.926 225 2HB ASP 30 2HB ASP 30 8.708 -2.679 1.109 226 H GLY 31 H GLY 31 8.880 -0.384 2.801 227 1HA GLY 31 1HA GLY 31 7.128 1.030 2.725 228 2HA GLY 31 2HA GLY 31 6.983 0.723 1.006 229 H LYS 32 H LYS 32 9.131 1.680 -0.250 230 HA LYS 32 HA LYS 32 8.884 4.492 0.121 231 1HB LYS 32 1HB LYS 32 11.036 3.149 1.490 232 2HB LYS 32 2HB LYS 32 11.699 4.171 0.231 233 1HG LYS 32 1HG LYS 32 9.638 5.104 2.285 234 2HG LYS 32 2HG LYS 32 11.365 5.355 2.444 235 1HD LYS 32 1HD LYS 32 11.108 6.409 -0.009 236 2HD LYS 32 2HD LYS 32 9.438 6.607 0.484 237 1HE LYS 32 1HE LYS 32 10.066 8.505 1.560 238 2HE LYS 32 2HE LYS 32 10.904 7.496 2.722 239 1HZ LYS 32 1HZ LYS 32 12.193 8.201 0.200 240 2HZ LYS 32 2HZ LYS 32 12.211 9.247 1.454 241 3HZ LYS 32 3HZ LYS 32 12.884 7.767 1.615 242 H ILE 33 H ILE 33 11.223 2.045 -1.216 243 HA ILE 33 HA ILE 33 11.356 3.494 -3.679 244 HB ILE 33 HB ILE 33 12.473 0.830 -2.802 245 1HG1 ILE 33 1HG1 ILE 33 14.087 3.314 -3.280 246 2HG1 ILE 33 2HG1 ILE 33 13.208 3.146 -1.773 247 1HG2 ILE 33 1HG2 ILE 33 12.086 1.069 -5.293 248 2HG2 ILE 33 2HG2 ILE 33 13.273 2.395 -5.260 249 3HG2 ILE 33 3HG2 ILE 33 13.762 0.752 -4.783 250 1HD1 ILE 33 1HD1 ILE 33 14.556 0.641 -2.387 251 2HD1 ILE 33 2HD1 ILE 33 15.716 1.990 -2.440 252 3HD1 ILE 33 3HD1 ILE 33 14.754 1.700 -0.970 253 H PHE 34 H PHE 34 9.952 0.349 -2.557 254 HA PHE 34 HA PHE 34 8.958 -0.481 -4.982 255 1HB PHE 34 1HB PHE 34 8.928 -1.923 -3.022 256 2HB PHE 34 2HB PHE 34 8.115 -0.712 -2.050 257 HD1 PHE 34 HD1 PHE 34 5.841 -0.922 -1.681 258 HD2 PHE 34 HD2 PHE 34 7.539 -2.819 -5.076 259 HE1 PHE 34 HE1 PHE 34 3.632 -2.002 -2.182 260 HE2 PHE 34 HE2 PHE 34 5.330 -3.899 -5.577 261 HZ PHE 34 HZ PHE 34 3.402 -3.478 -4.124 262 H PHE 35 H PHE 35 7.976 2.222 -3.002 263 HA PHE 35 HA PHE 35 5.440 2.366 -4.466 264 1HB PHE 35 1HB PHE 35 5.301 2.365 -1.975 265 2HB PHE 35 2HB PHE 35 6.531 3.609 -1.874 266 HD1 PHE 35 HD1 PHE 35 3.080 2.983 -3.096 267 HD2 PHE 35 HD2 PHE 35 5.932 5.872 -1.857 268 HE1 PHE 35 HE1 PHE 35 1.297 4.749 -3.108 269 HE2 PHE 35 HE2 PHE 35 4.148 7.637 -1.869 270 HZ PHE 35 HZ PHE 35 1.852 7.055 -2.495 271 H ASN 36 H ASN 36 8.551 3.346 -4.825 272 HA ASN 36 HA ASN 36 7.667 5.792 -6.097 273 1HB ASN 36 1HB ASN 36 10.011 5.522 -4.153 274 2HB ASN 36 2HB ASN 36 9.907 6.846 -5.296 275 1HD2 ASN 36 2HD2 ASN 36 10.019 7.531 -2.764 276 2HD2 ASN 36 1HD2 ASN 36 8.500 8.077 -2.136 277 H ARG 37 H ARG 37 8.395 2.987 -6.944 278 HA ARG 37 HA ARG 37 10.913 3.512 -8.287 279 1HB ARG 37 1HB ARG 37 10.619 1.385 -6.898 280 2HB ARG 37 2HB ARG 37 9.403 0.862 -8.046 281 1HG ARG 37 1HG ARG 37 11.316 -0.172 -8.916 282 2HG ARG 37 2HG ARG 37 11.274 1.304 -9.860 283 1HD ARG 37 1HD ARG 37 12.796 1.262 -7.237 284 2HD ARG 37 2HD ARG 37 13.526 0.556 -8.665 285 HE ARG 37 HE ARG 37 13.181 3.382 -8.136 286 1HH1 ARG 37 1HH1 ARG 37 13.815 4.900 -9.722 287 2HH1 ARG 37 2HH1 ARG 37 14.046 4.393 -11.362 288 1HH2 ARG 37 1HH2 ARG 37 13.231 1.022 -10.746 289 2HH2 ARG 37 2HH2 ARG 37 13.712 2.172 -11.948 290 H LYS 38 H LYS 38 10.264 4.732 -10.113 291 HA LYS 38 HA LYS 38 7.972 4.517 -11.539 292 1HB LYS 38 1HB LYS 38 9.536 6.297 -11.914 293 2HB LYS 38 2HB LYS 38 10.780 5.187 -12.451 294 1HG LYS 38 1HG LYS 38 10.023 5.591 -14.560 295 2HG LYS 38 2HG LYS 38 8.674 4.548 -14.154 296 1HD LYS 38 1HD LYS 38 7.757 6.628 -15.004 297 2HD LYS 38 2HD LYS 38 7.425 6.570 -13.284 298 1HE LYS 38 1HE LYS 38 8.285 8.811 -14.038 299 2HE LYS 38 2HE LYS 38 9.283 8.082 -12.796 300 1HZ LYS 38 1HZ LYS 38 10.048 7.364 -15.450 301 2HZ LYS 38 2HZ LYS 38 10.178 8.964 -15.148 302 3HZ LYS 38 3HZ LYS 38 10.968 7.888 -14.207 303 H PHE 39 H PHE 39 7.105 2.463 -11.828 304 HA PHE 39 HA PHE 39 8.771 0.606 -13.365 305 1HB PHE 39 1HB PHE 39 7.091 -1.065 -12.468 306 2HB PHE 39 2HB PHE 39 7.883 -0.192 -11.171 307 HD1 PHE 39 HD1 PHE 39 4.778 -0.271 -13.203 308 HD2 PHE 39 HD2 PHE 39 6.625 1.024 -9.608 309 HE1 PHE 39 HE1 PHE 39 2.540 0.423 -12.303 310 HE2 PHE 39 HE2 PHE 39 4.387 1.718 -8.708 311 HZ PHE 39 HZ PHE 39 2.372 1.409 -10.066 312 H LYS 40 H LYS 40 7.668 -0.685 -15.073 313 HA LYS 40 HA LYS 40 5.601 0.952 -16.362 314 1HB LYS 40 1HB LYS 40 8.061 0.251 -17.333 315 2HB LYS 40 2HB LYS 40 7.069 -1.041 -17.978 316 1HG LYS 40 1HG LYS 40 5.511 1.283 -18.373 317 2HG LYS 40 2HG LYS 40 7.147 1.798 -18.737 318 1HD LYS 40 1HD LYS 40 6.252 -0.843 -19.873 319 2HD LYS 40 2HD LYS 40 5.564 0.606 -20.578 320 1HE LYS 40 1HE LYS 40 7.451 0.778 -21.831 321 2HE LYS 40 2HE LYS 40 8.298 1.226 -20.364 322 1HZ LYS 40 1HZ LYS 40 7.866 -1.596 -20.860 323 2HZ LYS 40 2HZ LYS 40 9.002 -0.834 -21.753 324 3HZ LYS 40 3HZ LYS 40 9.119 -0.852 -20.124 325 H THR 41 H THR 41 3.674 0.008 -17.047 326 HA THR 41 HA THR 41 3.110 -2.561 -15.807 327 HB THR 41 HB THR 41 0.793 -1.891 -16.140 328 HG1 THR 41 HG1 THR 41 1.827 0.383 -17.636 329 1HG2 THR 41 1HG2 THR 41 2.470 0.627 -15.643 330 2HG2 THR 41 2HG2 THR 41 0.727 0.476 -15.313 331 3HG2 THR 41 3HG2 THR 41 1.896 -0.497 -14.388 332 HA PRO 42 HA PRO 42 3.343 -5.157 -19.254 333 1HB PRO 42 1HB PRO 42 1.011 -6.644 -18.935 334 2HB PRO 42 2HB PRO 42 2.483 -6.840 -17.930 335 1HG PRO 42 1HG PRO 42 -0.133 -5.206 -16.839 336 2HG PRO 42 2HG PRO 42 1.050 -6.518 -16.529 337 1HD PRO 42 1HD PRO 42 1.378 -3.723 -15.981 338 2HD PRO 42 2HD PRO 42 2.677 -4.955 -15.993 339 H SER 43 H SER 43 0.903 -2.730 -18.879 340 HA SER 43 HA SER 43 -0.195 -3.387 -21.485 341 1HB SER 43 1HB SER 43 -2.139 -2.366 -20.829 342 2HB SER 43 2HB SER 43 -1.516 -2.693 -19.224 343 HG SER 43 HG SER 43 -1.532 -0.224 -20.689 344 H GLY 44 H GLY 44 2.545 -2.373 -21.181 345 1HA GLY 44 1HA GLY 44 2.751 -0.548 -23.180 346 2HA GLY 44 2HA GLY 44 3.916 -0.724 -21.882 347 H LYS 45 H LYS 45 3.549 0.531 -19.833 348 HA LYS 45 HA LYS 45 3.020 3.206 -20.412 349 1HB LYS 45 1HB LYS 45 0.663 2.423 -20.497 350 2HB LYS 45 2HB LYS 45 0.798 1.865 -18.842 351 1HG LYS 45 1HG LYS 45 1.017 4.066 -17.973 352 2HG LYS 45 2HG LYS 45 1.518 4.732 -19.515 353 1HD LYS 45 1HD LYS 45 -0.670 5.445 -19.592 354 2HD LYS 45 2HD LYS 45 -0.939 3.842 -20.246 355 1HE LYS 45 1HE LYS 45 -1.754 2.989 -18.178 356 2HE LYS 45 2HE LYS 45 -1.006 4.268 -17.242 357 1HZ LYS 45 1HZ LYS 45 -3.176 4.735 -19.165 358 2HZ LYS 45 2HZ LYS 45 -3.413 4.518 -17.563 359 3HZ LYS 45 3HZ LYS 45 -2.565 5.808 -18.096 360 H GLU 46 H GLU 46 4.196 4.383 -18.973 361 HA GLU 46 HA GLU 46 5.286 2.903 -16.762 362 1HB GLU 46 1HB GLU 46 6.486 4.569 -18.489 363 2HB GLU 46 2HB GLU 46 6.001 5.776 -17.315 364 1HG GLU 46 1HG GLU 46 7.280 4.774 -15.565 365 2HG GLU 46 2HG GLU 46 7.404 3.241 -16.406 366 H ALA 47 H ALA 47 4.572 3.086 -14.676 367 HA ALA 47 HA ALA 47 3.156 5.539 -13.946 368 1HB ALA 47 1HB ALA 47 2.126 2.709 -13.903 369 2HB ALA 47 2HB ALA 47 1.285 4.215 -14.342 370 3HB ALA 47 3HB ALA 47 1.609 3.842 -12.632 371 H ALA 48 H ALA 48 2.551 4.918 -11.316 372 HA ALA 48 HA ALA 48 4.614 3.566 -9.969 373 1HB ALA 48 1HB ALA 48 4.947 6.527 -10.458 374 2HB ALA 48 2HB ALA 48 6.167 5.231 -10.501 375 3HB ALA 48 3HB ALA 48 5.530 5.802 -8.940 376 H CYS 49 H CYS 49 4.297 3.677 -7.621 377 HA CYS 49 HA CYS 49 1.564 3.989 -6.998 378 1HB CYS 49 1HB CYS 49 3.844 3.642 -5.048 379 2HB CYS 49 2HB CYS 49 2.153 3.263 -4.793 380 H ALA 50 H ALA 50 4.106 6.198 -7.413 381 HA ALA 50 HA ALA 50 2.999 8.047 -5.421 382 1HB ALA 50 1HB ALA 50 5.161 9.289 -5.851 383 2HB ALA 50 2HB ALA 50 5.673 7.919 -6.865 384 3HB ALA 50 3HB ALA 50 5.365 7.675 -5.129 385 H SER 51 H SER 51 2.405 7.119 -8.497 386 HA SER 51 HA SER 51 2.514 9.696 -9.726 387 1HB SER 51 1HB SER 51 2.273 6.963 -10.587 388 2HB SER 51 2HB SER 51 0.880 7.830 -11.203 389 HG SER 51 HG SER 51 3.540 7.985 -11.979 390 H CYS 52 H CYS 52 0.328 7.843 -7.745 391 HA CYS 52 HA CYS 52 -1.807 9.735 -8.415 392 1HB CYS 52 1HB CYS 52 -2.049 6.793 -7.723 393 2HB CYS 52 2HB CYS 52 -3.404 7.904 -7.680 394 H HIS 53 H HIS 53 -0.326 7.559 -6.025 395 HA HIS 53 HA HIS 53 -1.534 9.048 -3.765 396 1HB HIS 53 1HB HIS 53 0.330 6.612 -3.750 397 2HB HIS 53 2HB HIS 53 -0.687 7.245 -2.385 398 HD1 HIS 53 HD1 HIS 53 -3.377 7.377 -3.382 399 HD2 HIS 53 HD2 HIS 53 -0.813 4.332 -4.658 400 HE1 HIS 53 HE1 HIS 53 -4.891 5.456 -4.195 401 H THR 54 H THR 54 0.703 10.040 -5.753 402 HA THR 54 HA THR 54 2.621 11.181 -5.653 403 HB THR 54 HB THR 54 2.682 12.808 -3.726 404 HG1 THR 54 HG1 THR 54 1.948 11.542 -1.991 405 1HG2 THR 54 1HG2 THR 54 0.299 12.288 -5.401 406 2HG2 THR 54 2HG2 THR 54 -0.109 13.078 -3.859 407 3HG2 THR 54 3HG2 THR 54 1.053 13.842 -4.971 408 H ASN 55 H ASN 55 4.720 11.646 -4.346 409 HA ASN 55 HA ASN 55 5.974 9.280 -3.989 410 1HB ASN 55 1HB ASN 55 7.721 10.641 -2.725 411 2HB ASN 55 2HB ASN 55 7.241 11.349 -4.254 412 1HD2 ASN 55 2HD2 ASN 55 6.308 13.296 -4.330 413 2HD2 ASN 55 1HD2 ASN 55 5.935 14.291 -2.962 414 H ASN 56 H ASN 56 3.891 11.109 -1.796 415 HA ASN 56 HA ASN 56 4.464 9.132 0.266 416 1HB ASN 56 1HB ASN 56 5.116 11.760 0.567 417 2HB ASN 56 2HB ASN 56 3.435 11.858 1.055 418 1HD2 ASN 56 2HD2 ASN 56 3.746 12.234 3.177 419 2HD2 ASN 56 1HD2 ASN 56 4.438 11.110 4.298 420 HA PRO 57 HA PRO 57 0.079 8.471 -0.360 421 1HB PRO 57 1HB PRO 57 -0.240 6.569 1.587 422 2HB PRO 57 2HB PRO 57 0.648 6.248 0.062 423 1HG PRO 57 1HG PRO 57 1.899 6.899 2.763 424 2HG PRO 57 2HG PRO 57 2.198 5.641 1.520 425 1HD PRO 57 1HD PRO 57 3.593 8.055 1.689 426 2HD PRO 57 2HD PRO 57 3.341 7.169 0.154 427 H ALA 58 H ALA 58 1.568 9.103 2.897 428 HA ALA 58 HA ALA 58 -0.828 9.699 4.193 429 1HB ALA 58 1HB ALA 58 2.091 10.323 4.600 430 2HB ALA 58 2HB ALA 58 0.876 11.125 5.623 431 3HB ALA 58 3HB ALA 58 0.990 9.349 5.603 432 H ASN 59 H ASN 59 0.793 11.297 1.612 433 HA ASN 59 HA ASN 59 -0.201 13.885 2.373 434 1HB ASN 59 1HB ASN 59 2.047 13.254 1.069 435 2HB ASN 59 2HB ASN 59 1.004 13.232 -0.338 436 1HD2 ASN 59 2HD2 ASN 59 3.159 15.009 0.156 437 2HD2 ASN 59 1HD2 ASN 59 2.548 16.628 0.226 438 H VAL 60 H VAL 60 -1.283 15.117 0.304 439 HA VAL 60 HA VAL 60 -3.647 13.629 -0.290 440 HB VAL 60 HB VAL 60 -2.640 16.376 -1.036 441 1HG1 VAL 60 1HG1 VAL 60 -4.168 15.437 -2.783 442 2HG1 VAL 60 2HG1 VAL 60 -5.419 15.262 -1.530 443 3HG1 VAL 60 3HG1 VAL 60 -4.809 16.878 -1.959 444 1HG2 VAL 60 1HG2 VAL 60 -3.638 15.414 1.359 445 2HG2 VAL 60 2HG2 VAL 60 -3.610 17.118 0.847 446 3HG2 VAL 60 3HG2 VAL 60 -5.071 16.135 0.586 447 H GLY 61 H GLY 61 -3.962 12.284 -1.984 448 1HA GLY 61 1HA GLY 61 -3.172 11.019 -3.753 449 2HA GLY 61 2HA GLY 61 -1.938 12.218 -4.087 450 H LYS 62 H LYS 62 -3.205 11.358 -6.289 451 HA LYS 62 HA LYS 62 -5.598 12.801 -6.833 452 1HB LYS 62 1HB LYS 62 -4.209 14.730 -6.949 453 2HB LYS 62 2HB LYS 62 -2.967 13.886 -7.852 454 1HG LYS 62 1HG LYS 62 -4.587 13.582 -9.756 455 2HG LYS 62 2HG LYS 62 -5.791 14.482 -8.855 456 1HD LYS 62 1HD LYS 62 -4.509 15.867 -10.552 457 2HD LYS 62 2HD LYS 62 -4.471 16.510 -8.922 458 1HE LYS 62 1HE LYS 62 -2.269 14.597 -9.585 459 2HE LYS 62 2HE LYS 62 -2.232 16.111 -10.467 460 1HZ LYS 62 1HZ LYS 62 -2.673 16.184 -7.595 461 2HZ LYS 62 2HZ LYS 62 -1.159 15.927 -8.149 462 3HZ LYS 62 3HZ LYS 62 -1.958 17.291 -8.558 463 H ASN 63 H ASN 63 -6.671 11.845 -8.533 464 HA ASN 63 HA ASN 63 -5.391 9.521 -9.587 465 1HB ASN 63 1HB ASN 63 -8.181 10.727 -9.780 466 2HB ASN 63 2HB ASN 63 -7.729 9.393 -10.822 467 1HD2 ASN 63 2HD2 ASN 63 -9.772 9.186 -9.009 468 2HD2 ASN 63 1HD2 ASN 63 -9.364 8.075 -7.744 469 H ILE 64 H ILE 64 -4.565 9.344 -11.707 470 HA ILE 64 HA ILE 64 -4.502 11.778 -13.262 471 HB ILE 64 HB ILE 64 -2.764 10.797 -14.461 472 1HG1 ILE 64 1HG1 ILE 64 -3.564 8.082 -13.373 473 2HG1 ILE 64 2HG1 ILE 64 -3.929 8.670 -14.983 474 1HG2 ILE 64 1HG2 ILE 64 -2.655 10.973 -11.712 475 2HG2 ILE 64 2HG2 ILE 64 -2.000 9.350 -12.035 476 3HG2 ILE 64 3HG2 ILE 64 -1.266 10.776 -12.807 477 1HD1 ILE 64 1HD1 ILE 64 -1.344 9.091 -15.182 478 2HD1 ILE 64 2HD1 ILE 64 -1.228 7.989 -13.789 479 3HD1 ILE 64 3HD1 ILE 64 -1.951 7.423 -15.314 480 H VAL 65 H VAL 65 -6.858 9.611 -12.800 481 HA VAL 65 HA VAL 65 -7.410 9.022 -15.583 482 HB VAL 65 HB VAL 65 -8.781 8.360 -12.975 483 1HG1 VAL 65 1HG1 VAL 65 -9.930 8.451 -15.589 484 2HG1 VAL 65 2HG1 VAL 65 -9.751 6.743 -15.121 485 3HG1 VAL 65 3HG1 VAL 65 -10.654 7.863 -14.073 486 1HG2 VAL 65 1HG2 VAL 65 -6.630 7.196 -13.493 487 2HG2 VAL 65 2HG2 VAL 65 -8.030 6.102 -13.382 488 3HG2 VAL 65 3HG2 VAL 65 -7.380 6.557 -14.976 489 H THR 66 H THR 66 -8.910 10.837 -12.819 490 HA THR 66 HA THR 66 -10.429 12.358 -14.833 491 HB THR 66 HB THR 66 -12.021 12.748 -12.936 492 HG1 THR 66 HG1 THR 66 -11.441 11.695 -10.924 493 1HG2 THR 66 1HG2 THR 66 -11.920 10.442 -14.328 494 2HG2 THR 66 2HG2 THR 66 -11.425 9.790 -12.747 495 3HG2 THR 66 3HG2 THR 66 -12.995 10.611 -12.919 496 H GLY 67 H GLY 67 -8.173 12.511 -12.084 497 1HA GLY 67 1HA GLY 67 -7.397 15.170 -12.892 498 2HA GLY 67 2HA GLY 67 -6.691 14.179 -11.630 499 H LYS 68 H LYS 68 -9.202 13.595 -10.202 500 HA LYS 68 HA LYS 68 -10.271 16.176 -9.487 501 1HB LYS 68 1HB LYS 68 -10.898 13.317 -8.800 502 2HB LYS 68 2HB LYS 68 -11.515 14.608 -7.789 503 1HG LYS 68 1HG LYS 68 -11.872 15.184 -10.662 504 2HG LYS 68 2HG LYS 68 -12.656 13.690 -10.188 505 1HD LYS 68 1HD LYS 68 -13.316 15.423 -8.091 506 2HD LYS 68 2HD LYS 68 -13.350 16.480 -9.488 507 1HE LYS 68 1HE LYS 68 -15.396 15.649 -10.005 508 2HE LYS 68 2HE LYS 68 -14.643 14.104 -10.348 509 1HZ LYS 68 1HZ LYS 68 -14.833 13.634 -7.945 510 2HZ LYS 68 2HZ LYS 68 -15.714 14.997 -7.766 511 3HZ LYS 68 3HZ LYS 68 -16.272 13.781 -8.702 512 H GLU 69 H GLU 69 -9.636 13.710 -7.019 513 HA GLU 69 HA GLU 69 -7.233 14.666 -6.092 514 1HB GLU 69 1HB GLU 69 -7.771 16.167 -4.312 515 2HB GLU 69 2HB GLU 69 -8.644 16.765 -5.709 516 1HG GLU 69 1HG GLU 69 -10.692 15.497 -4.906 517 2HG GLU 69 2HG GLU 69 -9.805 15.056 -3.460 518 H ILE 70 H ILE 70 -6.479 12.988 -4.869 519 HA ILE 70 HA ILE 70 -8.510 11.324 -3.554 520 HB ILE 70 HB ILE 70 -5.762 10.578 -4.564 521 1HG1 ILE 70 1HG1 ILE 70 -7.756 11.112 -6.209 522 2HG1 ILE 70 2HG1 ILE 70 -6.688 9.748 -6.478 523 1HG2 ILE 70 1HG2 ILE 70 -7.816 9.143 -2.945 524 2HG2 ILE 70 2HG2 ILE 70 -6.938 8.224 -4.192 525 3HG2 ILE 70 3HG2 ILE 70 -6.039 9.050 -2.896 526 1HD1 ILE 70 1HD1 ILE 70 -8.998 9.153 -4.700 527 2HD1 ILE 70 2HD1 ILE 70 -9.430 9.568 -6.376 528 3HD1 ILE 70 3HD1 ILE 70 -8.329 8.208 -6.051 529 HA PRO 71 HA PRO 71 -6.990 13.337 0.125 530 1HB PRO 71 1HB PRO 71 -8.630 11.078 1.280 531 2HB PRO 71 2HB PRO 71 -8.673 12.841 1.607 532 1HG PRO 71 1HG PRO 71 -10.441 11.630 0.209 533 2HG PRO 71 2HG PRO 71 -10.132 13.347 -0.212 534 1HD PRO 71 1HD PRO 71 -9.417 10.837 -1.674 535 2HD PRO 71 2HD PRO 71 -9.477 12.519 -2.281 536 HA PRO 72 HA PRO 72 -3.536 11.102 1.619 537 1HB PRO 72 1HB PRO 72 -4.429 10.562 4.304 538 2HB PRO 72 2HB PRO 72 -3.443 11.944 3.726 539 1HG PRO 72 1HG PRO 72 -6.345 11.748 4.121 540 2HG PRO 72 2HG PRO 72 -5.524 13.299 4.491 541 1HD PRO 72 1HD PRO 72 -6.851 13.215 2.237 542 2HD PRO 72 2HD PRO 72 -5.124 13.659 2.084 543 H LEU 73 H LEU 73 -3.043 8.959 1.146 544 HA LEU 73 HA LEU 73 -5.217 7.064 1.256 545 1HB LEU 73 1HB LEU 73 -3.904 7.092 -0.723 546 2HB LEU 73 2HB LEU 73 -2.405 6.986 0.178 547 HG LEU 73 HG LEU 73 -3.532 4.689 1.003 548 1HD1 LEU 73 1HD1 LEU 73 -4.860 5.356 -1.611 549 2HD1 LEU 73 2HD1 LEU 73 -4.514 3.667 -1.168 550 3HD1 LEU 73 3HD1 LEU 73 -5.558 4.665 -0.126 551 1HD2 LEU 73 1HD2 LEU 73 -2.024 5.081 -1.596 552 2HD2 LEU 73 2HD2 LEU 73 -1.317 4.902 0.028 553 3HD2 LEU 73 3HD2 LEU 73 -2.195 3.544 -0.715 554 H ALA 74 H ALA 74 -2.338 7.987 3.086 555 HA ALA 74 HA ALA 74 -1.567 5.813 4.404 556 1HB ALA 74 1HB ALA 74 -0.566 7.841 5.020 557 2HB ALA 74 2HB ALA 74 -2.129 8.633 5.332 558 3HB ALA 74 3HB ALA 74 -1.505 7.417 6.472 559 HA PRO 75 HA PRO 75 -5.623 4.298 5.707 560 1HB PRO 75 1HB PRO 75 -4.000 1.802 6.021 561 2HB PRO 75 2HB PRO 75 -5.479 2.119 5.056 562 1HG PRO 75 1HG PRO 75 -3.032 1.955 3.464 563 2HG PRO 75 2HG PRO 75 -4.520 2.954 3.530 564 1HD PRO 75 1HD PRO 75 -1.865 3.508 5.005 565 2HD PRO 75 2HD PRO 75 -2.455 4.394 3.566 566 H ARG 76 H ARG 76 -4.338 5.935 7.539 567 HA ARG 76 HA ARG 76 -4.768 4.468 9.895 568 1HB ARG 76 1HB ARG 76 -2.369 3.817 9.298 569 2HB ARG 76 2HB ARG 76 -1.923 5.504 9.461 570 1HG ARG 76 1HG ARG 76 -3.213 5.162 11.843 571 2HG ARG 76 2HG ARG 76 -2.664 3.518 11.584 572 1HD ARG 76 1HD ARG 76 -0.319 4.475 11.152 573 2HD ARG 76 2HD ARG 76 -0.930 6.030 11.679 574 HE ARG 76 HE ARG 76 -1.679 4.406 13.759 575 1HH1 ARG 76 1HH1 ARG 76 -0.413 3.875 15.586 576 2HH1 ARG 76 2HH1 ARG 76 1.315 3.883 15.474 577 1HH2 ARG 76 1HH2 ARG 76 1.385 4.836 12.083 578 2HH2 ARG 76 2HH2 ARG 76 2.345 4.434 13.468 579 H VAL 77 H VAL 77 -2.999 7.334 8.517 580 HA VAL 77 HA VAL 77 -3.231 9.087 10.559 581 HB VAL 77 HB VAL 77 -3.376 9.399 7.574 582 1HG1 VAL 77 1HG1 VAL 77 -4.117 11.395 9.575 583 2HG1 VAL 77 2HG1 VAL 77 -2.753 11.925 8.562 584 3HG1 VAL 77 3HG1 VAL 77 -4.287 11.432 7.804 585 1HG2 VAL 77 1HG2 VAL 77 -1.274 8.767 9.051 586 2HG2 VAL 77 2HG2 VAL 77 -1.129 9.892 7.680 587 3HG2 VAL 77 3HG2 VAL 77 -1.230 10.522 9.342 588 H ASN 78 H ASN 78 -5.766 8.134 8.183 589 HA ASN 78 HA ASN 78 -7.607 9.926 9.474 590 1HB ASN 78 1HB ASN 78 -8.291 7.897 7.303 591 2HB ASN 78 2HB ASN 78 -9.107 9.408 7.654 592 1HD2 ASN 78 2HD2 ASN 78 -8.585 9.182 5.166 593 2HD2 ASN 78 1HD2 ASN 78 -7.204 10.077 4.627 594 H THR 79 H THR 79 -9.689 9.076 10.388 595 HA THR 79 HA THR 79 -9.294 6.450 11.605 596 HB THR 79 HB THR 79 -11.401 7.418 12.912 597 HG1 THR 79 HG1 THR 79 -11.819 9.223 11.570 598 1HG2 THR 79 1HG2 THR 79 -8.800 7.412 13.594 599 2HG2 THR 79 2HG2 THR 79 -8.948 9.155 13.263 600 3HG2 THR 79 3HG2 THR 79 -9.972 8.395 14.505 601 H LYS 80 H LYS 80 -10.458 7.482 8.732 602 HA LYS 80 HA LYS 80 -12.601 5.474 8.805 603 1HB LYS 80 1HB LYS 80 -13.854 6.791 7.203 604 2HB LYS 80 2HB LYS 80 -13.539 7.739 8.642 605 1HG LYS 80 1HG LYS 80 -11.308 8.290 7.045 606 2HG LYS 80 2HG LYS 80 -12.600 8.166 5.868 607 1HD LYS 80 1HD LYS 80 -13.659 10.067 6.621 608 2HD LYS 80 2HD LYS 80 -13.321 9.717 8.304 609 1HE LYS 80 1HE LYS 80 -10.809 10.262 6.966 610 2HE LYS 80 2HE LYS 80 -11.937 11.540 6.562 611 1HZ LYS 80 1HZ LYS 80 -12.382 11.788 8.925 612 2HZ LYS 80 2HZ LYS 80 -11.284 10.632 9.280 613 3HZ LYS 80 3HZ LYS 80 -10.802 12.031 8.589 614 H ARG 81 H ARG 81 -9.978 4.683 8.420 615 HA ARG 81 HA ARG 81 -10.151 3.909 5.653 616 1HB ARG 81 1HB ARG 81 -7.712 5.256 6.907 617 2HB ARG 81 2HB ARG 81 -7.606 4.311 5.435 618 1HG ARG 81 1HG ARG 81 -9.678 6.511 5.623 619 2HG ARG 81 2HG ARG 81 -8.005 6.941 5.323 620 1HD ARG 81 1HD ARG 81 -8.221 4.971 3.479 621 2HD ARG 81 2HD ARG 81 -9.916 5.404 3.571 622 HE ARG 81 HE ARG 81 -7.723 7.094 2.549 623 1HH1 ARG 81 1HH1 ARG 81 -8.319 9.018 1.471 624 2HH1 ARG 81 2HH1 ARG 81 -9.950 9.595 1.567 625 1HH2 ARG 81 1HH2 ARG 81 -11.076 6.954 3.608 626 2HH2 ARG 81 2HH2 ARG 81 -11.528 8.413 2.791 627 H PHE 82 H PHE 82 -9.117 1.841 5.241 628 HA PHE 82 HA PHE 82 -8.501 -0.210 5.764 629 1HB PHE 82 1HB PHE 82 -6.774 1.683 7.262 630 2HB PHE 82 2HB PHE 82 -6.871 0.139 8.084 631 HD1 PHE 82 HD1 PHE 82 -4.477 -0.213 7.696 632 HD2 PHE 82 HD2 PHE 82 -7.184 0.210 4.456 633 HE1 PHE 82 HE1 PHE 82 -2.753 -1.153 6.132 634 HE2 PHE 82 HE2 PHE 82 -5.460 -0.730 2.892 635 HZ PHE 82 HZ PHE 82 -3.265 -1.400 3.749 636 H THR 83 H THR 83 -10.998 0.495 6.825 637 HA THR 83 HA THR 83 -10.942 -0.939 9.399 638 HB THR 83 HB THR 83 -12.416 1.557 8.488 639 HG1 THR 83 HG1 THR 83 -10.674 1.966 9.863 640 1HG2 THR 83 1HG2 THR 83 -13.357 -0.583 10.404 641 2HG2 THR 83 2HG2 THR 83 -13.550 1.118 10.891 642 3HG2 THR 83 3HG2 THR 83 -14.320 0.526 9.399 643 H ASP 84 H ASP 84 -10.945 -2.650 7.455 644 HA ASP 84 HA ASP 84 -13.369 -3.909 7.672 645 1HB ASP 84 1HB ASP 84 -14.307 -3.720 5.415 646 2HB ASP 84 2HB ASP 84 -14.193 -2.125 6.132 647 H ILE 85 H ILE 85 -11.184 -5.152 8.145 648 HA ILE 85 HA ILE 85 -9.314 -5.864 6.372 649 HB ILE 85 HB ILE 85 -10.743 -7.573 8.405 650 1HG1 ILE 85 1HG1 ILE 85 -7.978 -6.605 8.836 651 2HG1 ILE 85 2HG1 ILE 85 -9.208 -5.356 8.802 652 1HG2 ILE 85 1HG2 ILE 85 -8.533 -8.237 6.532 653 2HG2 ILE 85 2HG2 ILE 85 -8.349 -8.759 8.223 654 3HG2 ILE 85 3HG2 ILE 85 -9.766 -9.280 7.280 655 1HD1 ILE 85 1HD1 ILE 85 -9.366 -7.878 10.516 656 2HD1 ILE 85 2HD1 ILE 85 -8.838 -6.282 11.101 657 3HD1 ILE 85 3HD1 ILE 85 -10.511 -6.516 10.538 658 H ASP 86 H ASP 86 -12.632 -7.292 6.596 659 HA ASP 86 HA ASP 86 -12.504 -9.269 4.861 660 1HB ASP 86 1HB ASP 86 -14.606 -7.077 5.091 661 2HB ASP 86 2HB ASP 86 -14.850 -8.470 4.057 662 H LYS 87 H LYS 87 -13.180 -5.799 3.939 663 HA LYS 87 HA LYS 87 -12.385 -6.459 1.201 664 1HB LYS 87 1HB LYS 87 -14.311 -4.575 2.431 665 2HB LYS 87 2HB LYS 87 -13.401 -3.932 1.079 666 1HG LYS 87 1HG LYS 87 -14.677 -5.107 -0.378 667 2HG LYS 87 2HG LYS 87 -14.198 -6.612 0.382 668 1HD LYS 87 1HD LYS 87 -15.989 -6.211 2.150 669 2HD LYS 87 2HD LYS 87 -16.520 -4.819 1.228 670 1HE LYS 87 1HE LYS 87 -16.499 -6.695 -0.765 671 2HE LYS 87 2HE LYS 87 -16.821 -7.736 0.608 672 1HZ LYS 87 1HZ LYS 87 -18.633 -6.213 1.196 673 2HZ LYS 87 2HZ LYS 87 -18.372 -5.368 -0.177 674 3HZ LYS 87 3HZ LYS 87 -18.856 -6.926 -0.255 675 H VAL 88 H VAL 88 -10.159 -6.383 1.166 676 HA VAL 88 HA VAL 88 -8.894 -3.971 0.961 677 HB VAL 88 HB VAL 88 -9.452 -4.530 3.663 678 1HG1 VAL 88 1HG1 VAL 88 -7.463 -6.086 3.513 679 2HG1 VAL 88 2HG1 VAL 88 -6.460 -4.651 3.192 680 3HG1 VAL 88 3HG1 VAL 88 -7.336 -4.798 4.735 681 1HG2 VAL 88 1HG2 VAL 88 -7.955 -2.479 2.091 682 2HG2 VAL 88 2HG2 VAL 88 -9.351 -2.297 3.180 683 3HG2 VAL 88 3HG2 VAL 88 -7.716 -2.505 3.855 684 H GLU 89 H GLU 89 -8.781 -7.394 1.975 685 HA GLU 89 HA GLU 89 -6.069 -7.713 1.289 686 1HB GLU 89 1HB GLU 89 -8.312 -9.744 1.669 687 2HB GLU 89 2HB GLU 89 -6.626 -10.176 1.463 688 1HG GLU 89 1HG GLU 89 -6.058 -9.532 3.596 689 2HG GLU 89 2HG GLU 89 -7.085 -8.113 3.553 690 H ASP 90 H ASP 90 -9.216 -8.421 -0.352 691 HA ASP 90 HA ASP 90 -7.950 -9.505 -2.619 692 1HB ASP 90 1HB ASP 90 -10.747 -8.299 -2.438 693 2HB ASP 90 2HB ASP 90 -10.193 -9.482 -3.606 694 H GLU 91 H GLU 91 -9.477 -6.340 -1.720 695 HA GLU 91 HA GLU 91 -9.348 -5.119 -4.154 696 1HB GLU 91 1HB GLU 91 -9.223 -4.097 -1.307 697 2HB GLU 91 2HB GLU 91 -9.067 -2.971 -2.641 698 1HG GLU 91 1HG GLU 91 -11.322 -4.937 -2.840 699 2HG GLU 91 2HG GLU 91 -11.470 -3.725 -1.583 700 H PHE 92 H PHE 92 -6.759 -6.095 -2.038 701 HA PHE 92 HA PHE 92 -4.889 -4.173 -3.097 702 1HB PHE 92 1HB PHE 92 -5.200 -5.999 -0.860 703 2HB PHE 92 2HB PHE 92 -3.746 -6.483 -1.709 704 HD1 PHE 92 HD1 PHE 92 -2.590 -3.971 -2.596 705 HD2 PHE 92 HD2 PHE 92 -4.548 -4.886 1.056 706 HE1 PHE 92 HE1 PHE 92 -1.311 -2.139 -1.452 707 HE2 PHE 92 HE2 PHE 92 -3.270 -3.054 2.200 708 HZ PHE 92 HZ PHE 92 -1.666 -1.703 0.933 709 H THR 93 H THR 93 -6.033 -7.440 -3.774 710 HA THR 93 HA THR 93 -3.688 -8.045 -5.390 711 HB THR 93 HB THR 93 -6.073 -9.503 -4.255 712 HG1 THR 93 HG1 THR 93 -4.245 -10.184 -3.214 713 1HG2 THR 93 1HG2 THR 93 -4.485 -10.336 -6.734 714 2HG2 THR 93 2HG2 THR 93 -5.331 -11.502 -5.689 715 3HG2 THR 93 3HG2 THR 93 -6.255 -10.260 -6.567 716 H LYS 94 H LYS 94 -7.025 -6.899 -5.716 717 HA LYS 94 HA LYS 94 -7.102 -7.415 -8.527 718 1HB LYS 94 1HB LYS 94 -8.907 -5.635 -6.868 719 2HB LYS 94 2HB LYS 94 -9.245 -6.301 -8.453 720 1HG LYS 94 1HG LYS 94 -8.478 -8.388 -6.512 721 2HG LYS 94 2HG LYS 94 -9.884 -7.485 -5.986 722 1HD LYS 94 1HD LYS 94 -10.182 -8.026 -8.809 723 2HD LYS 94 2HD LYS 94 -9.731 -9.524 -8.019 724 1HE LYS 94 1HE LYS 94 -11.568 -8.995 -6.272 725 2HE LYS 94 2HE LYS 94 -12.105 -7.728 -7.358 726 1HZ LYS 94 1HZ LYS 94 -11.692 -10.299 -8.574 727 2HZ LYS 94 2HZ LYS 94 -12.929 -10.223 -7.511 728 3HZ LYS 94 3HZ LYS 94 -12.897 -9.220 -8.799 729 H HIS 95 H HIS 95 -6.158 -4.846 -6.369 730 HA HIS 95 HA HIS 95 -6.062 -2.713 -8.308 731 1HB HIS 95 1HB HIS 95 -6.220 -2.534 -5.786 732 2HB HIS 95 2HB HIS 95 -4.471 -3.014 -5.705 733 HD1 HIS 95 HD1 HIS 95 -5.115 -0.832 -8.513 734 HD2 HIS 95 HD2 HIS 95 -4.300 -0.343 -4.443 735 HE1 HIS 95 HE1 HIS 95 -4.351 1.613 -8.222 736 H CYS 96 H CYS 96 -3.440 -4.695 -6.803 737 HA CYS 96 HA CYS 96 -1.334 -3.775 -8.422 738 1HB CYS 96 1HB CYS 96 -1.862 -6.353 -6.921 739 2HB CYS 96 2HB CYS 96 -0.360 -6.107 -7.847 740 H ASN 97 H ASN 97 -3.999 -6.029 -9.143 741 HA ASN 97 HA ASN 97 -2.627 -7.151 -11.357 742 1HB ASN 97 1HB ASN 97 -5.153 -7.546 -9.936 743 2HB ASN 97 2HB ASN 97 -5.458 -7.490 -11.661 744 1HD2 ASN 97 2HD2 ASN 97 -4.733 -9.449 -9.141 745 2HD2 ASN 97 1HD2 ASN 97 -3.996 -10.792 -9.949 746 H ASP 98 H ASP 98 -4.214 -4.182 -10.661 747 HA ASP 98 HA ASP 98 -4.784 -3.786 -13.494 748 1HB ASP 98 1HB ASP 98 -6.430 -3.381 -11.217 749 2HB ASP 98 2HB ASP 98 -5.929 -1.771 -11.694 750 H ILE 99 H ILE 99 -2.406 -3.354 -11.322 751 HA ILE 99 HA ILE 99 -1.797 -0.637 -12.254 752 HB ILE 99 HB ILE 99 -1.327 -1.838 -9.526 753 1HG1 ILE 99 1HG1 ILE 99 -3.597 -1.008 -9.872 754 2HG1 ILE 99 2HG1 ILE 99 -2.724 -0.007 -8.729 755 1HG2 ILE 99 1HG2 ILE 99 0.182 0.179 -10.953 756 2HG2 ILE 99 2HG2 ILE 99 -0.576 0.858 -9.492 757 3HG2 ILE 99 3HG2 ILE 99 0.486 -0.565 -9.364 758 1HD1 ILE 99 1HD1 ILE 99 -2.121 1.486 -10.787 759 2HD1 ILE 99 2HD1 ILE 99 -3.431 0.610 -11.615 760 3HD1 ILE 99 3HD1 ILE 99 -3.783 1.564 -10.154 761 H LEU 100 H LEU 100 -0.556 -3.833 -11.116 762 HA LEU 100 HA LEU 100 1.928 -3.246 -12.553 763 1HB LEU 100 1HB LEU 100 1.233 -5.109 -10.297 764 2HB LEU 100 2HB LEU 100 2.684 -5.333 -11.253 765 HG LEU 100 HG LEU 100 1.991 -2.875 -9.621 766 1HD1 LEU 100 1HD1 LEU 100 3.736 -5.265 -9.119 767 2HD1 LEU 100 2HD1 LEU 100 4.153 -3.687 -8.409 768 3HD1 LEU 100 3HD1 LEU 100 2.586 -4.445 -8.037 769 1HD2 LEU 100 1HD2 LEU 100 3.861 -3.245 -11.801 770 2HD2 LEU 100 2HD2 LEU 100 3.414 -1.766 -10.917 771 3HD2 LEU 100 3HD2 LEU 100 4.706 -2.819 -10.293 772 H GLY 101 H GLY 101 -0.976 -5.259 -12.449 773 1HA GLY 101 1HA GLY 101 -0.092 -6.517 -14.964 774 2HA GLY 101 2HA GLY 101 -1.749 -6.238 -14.464 775 H ALA 102 H ALA 102 -0.500 -7.118 -11.595 776 HA ALA 102 HA ALA 102 -1.513 -9.767 -11.788 777 1HB ALA 102 1HB ALA 102 1.307 -9.340 -12.286 778 2HB ALA 102 2HB ALA 102 1.090 -10.257 -10.775 779 3HB ALA 102 3HB ALA 102 0.383 -10.861 -12.293 780 H ASP 103 H ASP 103 -0.595 -10.894 -9.478 781 HA ASP 103 HA ASP 103 -1.638 -9.033 -7.567 782 1HB ASP 103 1HB ASP 103 -2.139 -11.606 -7.810 783 2HB ASP 103 2HB ASP 103 -0.618 -11.833 -6.971 784 H CYS 104 H CYS 104 -0.355 -7.883 -6.210 785 HA CYS 104 HA CYS 104 2.436 -7.752 -6.397 786 1HB CYS 104 1HB CYS 104 0.402 -6.893 -4.339 787 2HB CYS 104 2HB CYS 104 2.141 -6.699 -4.008 788 H SER 105 H SER 105 4.074 -8.275 -4.587 789 HA SER 105 HA SER 105 3.765 -11.028 -3.999 790 1HB SER 105 1HB SER 105 5.945 -9.959 -4.631 791 2HB SER 105 2HB SER 105 5.931 -9.064 -3.124 792 HG SER 105 HG SER 105 6.769 -10.770 -2.159 793 HA PRO 106 HA PRO 106 1.977 -10.781 0.012 794 1HB PRO 106 1HB PRO 106 3.059 -13.044 1.145 795 2HB PRO 106 2HB PRO 106 1.826 -13.095 -0.158 796 1HG PRO 106 1HG PRO 106 4.989 -13.334 -0.642 797 2HG PRO 106 2HG PRO 106 3.601 -14.380 -1.086 798 1HD PRO 106 1HD PRO 106 4.528 -12.402 -2.744 799 2HD PRO 106 2HD PRO 106 2.779 -12.758 -2.614 800 H SER 107 H SER 107 5.372 -10.430 -0.660 801 HA SER 107 HA SER 107 5.905 -9.939 2.149 802 1HB SER 107 1HB SER 107 8.257 -10.010 1.565 803 2HB SER 107 2HB SER 107 7.475 -11.391 0.822 804 HG SER 107 HG SER 107 8.837 -10.410 -0.725 805 H GLU 108 H GLU 108 6.115 -8.425 -1.135 806 HA GLU 108 HA GLU 108 7.027 -5.966 -0.176 807 1HB GLU 108 1HB GLU 108 6.483 -5.137 -2.439 808 2HB GLU 108 2HB GLU 108 7.304 -6.682 -2.521 809 1HG GLU 108 1HG GLU 108 5.574 -7.268 -3.904 810 2HG GLU 108 2HG GLU 108 4.704 -7.543 -2.408 811 H LYS 109 H LYS 109 4.057 -7.526 0.259 812 HA LYS 109 HA LYS 109 2.500 -5.069 0.204 813 1HB LYS 109 1HB LYS 109 1.593 -7.151 -0.799 814 2HB LYS 109 2HB LYS 109 1.654 -7.926 0.771 815 1HG LYS 109 1HG LYS 109 -0.446 -7.115 1.104 816 2HG LYS 109 2HG LYS 109 0.307 -5.550 1.340 817 1HD LYS 109 1HD LYS 109 -1.403 -5.252 -0.340 818 2HD LYS 109 2HD LYS 109 0.139 -5.159 -1.168 819 1HE LYS 109 1HE LYS 109 -1.428 -6.585 -2.441 820 2HE LYS 109 2HE LYS 109 -0.070 -7.536 -1.874 821 1HZ LYS 109 1HZ LYS 109 -2.594 -7.355 -0.390 822 2HZ LYS 109 2HZ LYS 109 -2.300 -8.516 -1.500 823 3HZ LYS 109 3HZ LYS 109 -1.377 -8.420 -0.156 824 H ALA 110 H ALA 110 3.024 -7.808 2.542 825 HA ALA 110 HA ALA 110 2.044 -6.591 4.763 826 1HB ALA 110 1HB ALA 110 4.539 -8.139 5.177 827 2HB ALA 110 2HB ALA 110 2.902 -8.414 5.817 828 3HB ALA 110 3HB ALA 110 3.314 -8.946 4.169 829 H ASN 111 H ASN 111 4.970 -5.836 2.957 830 HA ASN 111 HA ASN 111 6.276 -4.529 5.073 831 1HB ASN 111 1HB ASN 111 7.217 -5.403 2.775 832 2HB ASN 111 2HB ASN 111 6.642 -3.885 2.114 833 1HD2 ASN 111 2HD2 ASN 111 7.232 -1.917 3.503 834 2HD2 ASN 111 1HD2 ASN 111 8.875 -1.810 4.039 835 H PHE 112 H PHE 112 4.562 -3.364 2.065 836 HA PHE 112 HA PHE 112 4.633 -0.684 2.573 837 1HB PHE 112 1HB PHE 112 3.802 -1.913 0.506 838 2HB PHE 112 2HB PHE 112 2.388 -2.434 1.400 839 HD1 PHE 112 HD1 PHE 112 0.463 -1.302 0.874 840 HD2 PHE 112 HD2 PHE 112 4.140 0.814 0.769 841 HE1 PHE 112 HE1 PHE 112 -0.752 0.775 0.161 842 HE2 PHE 112 HE2 PHE 112 2.925 2.891 0.056 843 HZ PHE 112 HZ PHE 112 0.493 2.847 -0.240 844 H ILE 113 H ILE 113 2.251 -3.138 3.740 845 HA ILE 113 HA ILE 113 0.436 -1.385 4.861 846 HB ILE 113 HB ILE 113 1.212 -4.229 5.290 847 1HG1 ILE 113 1HG1 ILE 113 -1.605 -3.578 4.946 848 2HG1 ILE 113 2HG1 ILE 113 -0.625 -2.850 3.688 849 1HG2 ILE 113 1HG2 ILE 113 -0.670 -2.699 7.107 850 2HG2 ILE 113 2HG2 ILE 113 -0.537 -4.472 7.023 851 3HG2 ILE 113 3HG2 ILE 113 0.852 -3.500 7.565 852 1HD1 ILE 113 1HD1 ILE 113 0.505 -5.134 3.388 853 2HD1 ILE 113 2HD1 ILE 113 -0.752 -5.794 4.461 854 3HD1 ILE 113 3HD1 ILE 113 -1.208 -5.053 2.908 855 H ALA 114 H ALA 114 3.621 -2.513 6.002 856 HA ALA 114 HA ALA 114 3.283 -1.556 8.651 857 1HB ALA 114 1HB ALA 114 5.181 -2.730 8.907 858 2HB ALA 114 2HB ALA 114 5.154 -3.078 7.162 859 3HB ALA 114 3HB ALA 114 6.042 -1.662 7.773 860 H TYR 115 H TYR 115 5.384 -0.412 5.976 861 HA TYR 115 HA TYR 115 6.175 2.016 6.988 862 1HB TYR 115 1HB TYR 115 6.382 0.730 4.594 863 2HB TYR 115 2HB TYR 115 5.310 2.069 4.151 864 HD1 TYR 115 HD1 TYR 115 6.111 4.440 5.173 865 HD2 TYR 115 HD2 TYR 115 8.652 1.076 4.349 866 HE1 TYR 115 HE1 TYR 115 8.068 5.956 5.020 867 HE2 TYR 115 HE2 TYR 115 10.609 2.591 4.197 868 HH TYR 115 HH TYR 115 10.318 6.073 4.171 869 H LEU 116 H LEU 116 2.931 1.144 5.712 870 HA LEU 116 HA LEU 116 2.078 3.864 5.611 871 1HB LEU 116 1HB LEU 116 0.839 1.174 5.244 872 2HB LEU 116 2HB LEU 116 -0.214 2.540 5.561 873 HG LEU 116 HG LEU 116 1.802 2.432 3.301 874 1HD1 LEU 116 1HD1 LEU 116 -1.070 1.582 3.454 875 2HD1 LEU 116 2HD1 LEU 116 -0.433 2.279 1.945 876 3HD1 LEU 116 3HD1 LEU 116 0.308 0.813 2.631 877 1HD2 LEU 116 1HD2 LEU 116 0.262 4.575 4.436 878 2HD2 LEU 116 2HD2 LEU 116 1.428 4.607 3.091 879 3HD2 LEU 116 3HD2 LEU 116 -0.289 4.257 2.774 880 H LEU 117 H LEU 117 1.844 1.125 7.937 881 HA LEU 117 HA LEU 117 0.416 2.857 9.785 882 1HB LEU 117 1HB LEU 117 -0.187 0.960 10.931 883 2HB LEU 117 2HB LEU 117 -0.189 0.432 9.260 884 HG LEU 117 HG LEU 117 2.350 -0.237 9.967 885 1HD1 LEU 117 1HD1 LEU 117 1.003 0.282 12.447 886 2HD1 LEU 117 2HD1 LEU 117 1.375 -1.454 12.326 887 3HD1 LEU 117 3HD1 LEU 117 2.677 -0.252 12.159 888 1HD2 LEU 117 1HD2 LEU 117 0.156 -1.536 9.079 889 2HD2 LEU 117 2HD2 LEU 117 1.672 -2.345 9.545 890 3HD2 LEU 117 3HD2 LEU 117 0.317 -2.262 10.696 891 H THR 118 H THR 118 3.210 3.445 8.942 892 HA THR 118 HA THR 118 4.476 3.156 11.588 893 HB THR 118 HB THR 118 5.575 2.942 8.753 894 HG1 THR 118 HG1 THR 118 5.943 1.510 11.288 895 1HG2 THR 118 1HG2 THR 118 7.053 3.534 11.364 896 2HG2 THR 118 2HG2 THR 118 7.839 2.740 9.979 897 3HG2 THR 118 3HG2 THR 118 7.206 4.396 9.814 898 H GLU 119 H GLU 119 4.666 5.177 8.575 899 HA GLU 119 HA GLU 119 5.546 7.383 10.093 900 1HB GLU 119 1HB GLU 119 4.479 7.262 7.237 901 2HB GLU 119 2HB GLU 119 5.337 8.620 7.938 902 1HG GLU 119 1HG GLU 119 6.981 6.366 8.468 903 2HG GLU 119 2HG GLU 119 6.411 6.132 6.827 904 H THR 120 H THR 120 4.347 8.862 11.216 905 HA THR 120 HA THR 120 1.496 9.077 10.507 906 HB THR 120 HB THR 120 1.017 9.194 12.923 907 HG1 THR 120 HG1 THR 120 3.912 8.753 13.111 908 1HG2 THR 120 1HG2 THR 120 2.872 6.908 12.111 909 2HG2 THR 120 2HG2 THR 120 2.134 6.989 13.729 910 3HG2 THR 120 3HG2 THR 120 1.101 6.868 12.284 911 H LYS 121 H LYS 121 3.236 10.698 9.194 912 HA LYS 121 HA LYS 121 2.358 13.235 10.078 913 1HB LYS 121 1HB LYS 121 4.505 14.261 10.582 914 2HB LYS 121 2HB LYS 121 4.162 12.964 11.709 915 1HG LYS 121 1HG LYS 121 5.540 11.776 9.491 916 2HG LYS 121 2HG LYS 121 6.412 13.242 9.894 917 1HD LYS 121 1HD LYS 121 6.396 12.491 12.334 918 2HD LYS 121 2HD LYS 121 5.704 10.970 11.806 919 1HE LYS 121 1HE LYS 121 7.664 10.373 10.559 920 2HE LYS 121 2HE LYS 121 8.277 12.015 10.566 921 1HZ LYS 121 1HZ LYS 121 8.433 11.776 13.020 922 2HZ LYS 121 2HZ LYS 121 8.105 10.185 12.851 923 3HZ LYS 121 3HZ LYS 121 9.452 10.817 12.179 924 HA PRO 122 HA PRO 122 2.320 13.218 5.649 925 1HB PRO 122 1HB PRO 122 1.935 16.160 6.267 926 2HB PRO 122 2HB PRO 122 1.013 15.062 5.189 927 1HG PRO 122 1HG PRO 122 0.074 15.777 7.640 928 2HG PRO 122 2HG PRO 122 -0.171 14.208 6.806 929 1HD PRO 122 1HD PRO 122 1.648 14.948 9.119 930 2HD PRO 122 2HD PRO 122 0.814 13.401 8.783 931 H THR 123 H THR 123 3.473 14.754 3.921 932 HA THR 123 HA THR 123 6.224 14.704 4.532 933 HB THR 123 HB THR 123 4.503 15.829 2.276 934 HG1 THR 123 HG1 THR 123 5.591 13.933 1.294 935 1HG2 THR 123 1HG2 THR 123 6.968 16.899 2.739 936 2HG2 THR 123 2HG2 THR 123 7.458 15.392 1.929 937 3HG2 THR 123 3HG2 THR 123 6.383 16.541 1.097 938 H LYS 124 H LYS 124 3.851 17.421 4.277 939 HA LYS 124 HA LYS 124 5.146 18.863 6.301 940 1HB LYS 124 1HB LYS 124 6.228 20.620 5.112 941 2HB LYS 124 2HB LYS 124 6.875 19.107 4.510 942 1HG LYS 124 1HG LYS 124 4.818 19.406 2.754 943 2HG LYS 124 2HG LYS 124 5.091 21.095 3.136 944 1HD LYS 124 1HD LYS 124 7.514 19.413 2.532 945 2HD LYS 124 2HD LYS 124 6.464 19.813 1.188 946 1HE LYS 124 1HE LYS 124 6.621 22.261 1.879 947 2HE LYS 124 2HE LYS 124 7.800 21.796 3.090 948 1HZ LYS 124 1HZ LYS 124 8.650 20.640 0.773 949 2HZ LYS 124 2HZ LYS 124 8.159 22.131 0.323 950 3HZ LYS 124 3HZ LYS 124 9.287 21.961 1.492 No H/Q in entry = 950 Start of MODEL 6 1 H1 ASP 1 H1 ASP 1 -7.154 1.846 17.171 2 H2 ASP 1 H2 ASP 1 -8.403 1.930 18.255 3 H3 ASP 1 H3 ASP 1 -7.764 0.460 17.841 4 HA ASP 1 HA ASP 1 -9.773 0.685 16.809 5 1HB ASP 1 1HB ASP 1 -8.867 3.419 16.501 6 2HB ASP 1 2HB ASP 1 -9.225 2.782 14.908 7 H VAL 2 H VAL 2 -6.415 1.192 15.880 8 HA VAL 2 HA VAL 2 -6.820 0.091 13.222 9 HB VAL 2 HB VAL 2 -5.279 2.060 13.935 10 1HG1 VAL 2 1HG1 VAL 2 -4.171 0.258 15.618 11 2HG1 VAL 2 2HG1 VAL 2 -3.108 0.049 14.206 12 3HG1 VAL 2 3HG1 VAL 2 -3.289 1.654 14.953 13 1HG2 VAL 2 1HG2 VAL 2 -4.837 -0.121 11.955 14 2HG2 VAL 2 2HG2 VAL 2 -5.090 1.623 11.708 15 3HG2 VAL 2 3HG2 VAL 2 -3.494 1.018 12.214 16 H THR 3 H THR 3 -7.654 -1.672 15.237 17 HA THR 3 HA THR 3 -5.455 -3.464 15.807 18 HB THR 3 HB THR 3 -7.801 -2.780 17.095 19 HG1 THR 3 HG1 THR 3 -7.222 -4.896 18.226 20 1HG2 THR 3 1HG2 THR 3 -8.960 -4.305 15.248 21 2HG2 THR 3 2HG2 THR 3 -8.237 -5.641 16.177 22 3HG2 THR 3 3HG2 THR 3 -9.389 -4.533 16.961 23 H ASN 4 H ASN 4 -6.592 -2.765 12.957 24 HA ASN 4 HA ASN 4 -7.184 -5.508 12.210 25 1HB ASN 4 1HB ASN 4 -7.603 -4.181 9.901 26 2HB ASN 4 2HB ASN 4 -8.830 -4.232 11.151 27 1HD2 ASN 4 2HD2 ASN 4 -8.861 -2.491 12.739 28 2HD2 ASN 4 1HD2 ASN 4 -8.431 -0.883 12.262 29 H ALA 5 H ALA 5 -5.450 -2.583 10.868 30 HA ALA 5 HA ALA 5 -3.889 -3.672 9.009 31 1HB ALA 5 1HB ALA 5 -3.115 -1.627 11.127 32 2HB ALA 5 2HB ALA 5 -2.201 -1.919 9.628 33 3HB ALA 5 3HB ALA 5 -3.869 -1.303 9.547 34 H GLU 6 H GLU 6 -3.096 -3.625 12.553 35 HA GLU 6 HA GLU 6 -0.711 -4.819 12.502 36 1HB GLU 6 1HB GLU 6 -1.352 -4.287 14.652 37 2HB GLU 6 2HB GLU 6 -3.005 -4.816 14.413 38 1HG GLU 6 1HG GLU 6 -1.831 -6.319 15.991 39 2HG GLU 6 2HG GLU 6 -2.298 -7.190 14.544 40 H LYS 7 H LYS 7 -3.927 -6.458 12.287 41 HA LYS 7 HA LYS 7 -2.982 -9.067 12.341 42 1HB LYS 7 1HB LYS 7 -5.305 -8.593 12.672 43 2HB LYS 7 2HB LYS 7 -5.447 -7.817 11.108 44 1HG LYS 7 1HG LYS 7 -4.543 -10.709 11.305 45 2HG LYS 7 2HG LYS 7 -6.247 -10.311 11.377 46 1HD LYS 7 1HD LYS 7 -5.108 -8.830 9.183 47 2HD LYS 7 2HD LYS 7 -4.541 -10.482 9.050 48 1HE LYS 7 1HE LYS 7 -7.426 -10.257 9.737 49 2HE LYS 7 2HE LYS 7 -7.016 -9.574 8.176 50 1HZ LYS 7 1HZ LYS 7 -5.657 -11.934 8.316 51 2HZ LYS 7 2HZ LYS 7 -7.128 -12.276 8.937 52 3HZ LYS 7 3HZ LYS 7 -7.003 -11.635 7.440 53 H LEU 8 H LEU 8 -3.734 -6.936 9.495 54 HA LEU 8 HA LEU 8 -3.027 -8.661 7.513 55 1HB LEU 8 1HB LEU 8 -2.787 -5.673 7.768 56 2HB LEU 8 2HB LEU 8 -2.333 -6.507 6.295 57 HG LEU 8 HG LEU 8 -5.052 -6.170 7.524 58 1HD1 LEU 8 1HD1 LEU 8 -3.662 -5.414 5.021 59 2HD1 LEU 8 2HD1 LEU 8 -5.365 -5.906 4.855 60 3HD1 LEU 8 3HD1 LEU 8 -4.927 -4.567 5.943 61 1HD2 LEU 8 1HD2 LEU 8 -4.119 -8.487 5.870 62 2HD2 LEU 8 2HD2 LEU 8 -5.267 -8.438 7.229 63 3HD2 LEU 8 3HD2 LEU 8 -5.760 -7.841 5.626 64 H VAL 9 H VAL 9 -0.872 -6.538 9.488 65 HA VAL 9 HA VAL 9 1.479 -7.103 8.132 66 HB VAL 9 HB VAL 9 0.977 -6.462 11.045 67 1HG1 VAL 9 1HG1 VAL 9 3.473 -6.864 9.489 68 2HG1 VAL 9 2HG1 VAL 9 3.422 -5.418 10.524 69 3HG1 VAL 9 3HG1 VAL 9 3.165 -7.029 11.234 70 1HG2 VAL 9 1HG2 VAL 9 0.245 -4.905 9.008 71 2HG2 VAL 9 2HG2 VAL 9 0.935 -4.237 10.507 72 3HG2 VAL 9 3HG2 VAL 9 1.964 -4.447 9.070 73 H TYR 10 H TYR 10 0.010 -8.661 11.000 74 HA TYR 10 HA TYR 10 2.006 -10.749 11.114 75 1HB TYR 10 1HB TYR 10 0.474 -9.755 12.974 76 2HB TYR 10 2HB TYR 10 -0.743 -10.880 12.347 77 HD1 TYR 10 HD1 TYR 10 -0.460 -13.298 12.572 78 HD2 TYR 10 HD2 TYR 10 2.452 -10.557 14.139 79 HE1 TYR 10 HE1 TYR 10 0.533 -15.126 13.923 80 HE2 TYR 10 HE2 TYR 10 3.445 -12.384 15.489 81 HH TYR 10 HH TYR 10 2.825 -15.651 15.013 82 H LYS 11 H LYS 11 -0.368 -10.147 8.816 83 HA LYS 11 HA LYS 11 -1.022 -12.985 8.541 84 1HB LYS 11 1HB LYS 11 -2.689 -10.871 8.490 85 2HB LYS 11 2HB LYS 11 -2.267 -10.922 6.790 86 1HG LYS 11 1HG LYS 11 -4.195 -12.342 7.044 87 2HG LYS 11 2HG LYS 11 -2.829 -13.413 6.805 88 1HD LYS 11 1HD LYS 11 -2.691 -13.911 9.184 89 2HD LYS 11 2HD LYS 11 -3.831 -12.640 9.579 90 1HE LYS 11 1HE LYS 11 -5.684 -13.860 8.812 91 2HE LYS 11 2HE LYS 11 -4.738 -14.789 7.666 92 1HZ LYS 11 1HZ LYS 11 -3.745 -15.951 9.524 93 2HZ LYS 11 2HZ LYS 11 -4.639 -15.092 10.587 94 3HZ LYS 11 3HZ LYS 11 -5.370 -16.115 9.544 95 H TYR 12 H TYR 12 -0.428 -10.268 6.286 96 HA TYR 12 HA TYR 12 0.540 -11.807 4.161 97 1HB TYR 12 1HB TYR 12 1.190 -8.968 5.013 98 2HB TYR 12 2HB TYR 12 1.645 -9.663 3.449 99 HD1 TYR 12 HD1 TYR 12 -0.199 -10.477 1.894 100 HD2 TYR 12 HD2 TYR 12 -0.963 -8.069 5.368 101 HE1 TYR 12 HE1 TYR 12 -2.413 -9.849 0.971 102 HE2 TYR 12 HE2 TYR 12 -3.178 -7.441 4.445 103 HH TYR 12 HH TYR 12 -4.183 -7.359 1.809 104 H THR 13 H THR 13 2.092 -11.008 7.229 105 HA THR 13 HA THR 13 4.752 -11.412 6.203 106 HB THR 13 HB THR 13 3.563 -11.134 9.014 107 HG1 THR 13 HG1 THR 13 5.017 -9.458 7.091 108 1HG2 THR 13 1HG2 THR 13 6.326 -11.682 8.040 109 2HG2 THR 13 2HG2 THR 13 6.191 -10.244 9.080 110 3HG2 THR 13 3HG2 THR 13 5.659 -11.831 9.684 111 H ASN 14 H ASN 14 2.438 -13.279 8.270 112 HA ASN 14 HA ASN 14 4.096 -15.420 8.662 113 1HB ASN 14 1HB ASN 14 1.572 -14.770 9.463 114 2HB ASN 14 2HB ASN 14 1.157 -15.942 8.228 115 1HD2 ASN 14 2HD2 ASN 14 0.329 -16.818 10.406 116 2HD2 ASN 14 1HD2 ASN 14 1.347 -17.965 11.211 117 H ILE 15 H ILE 15 1.459 -14.919 6.190 118 HA ILE 15 HA ILE 15 1.700 -17.268 4.823 119 HB ILE 15 HB ILE 15 0.870 -14.494 4.086 120 1HG1 ILE 15 1HG1 ILE 15 -0.928 -16.780 3.654 121 2HG1 ILE 15 2HG1 ILE 15 -0.392 -16.617 5.314 122 1HG2 ILE 15 1HG2 ILE 15 1.386 -16.756 2.178 123 2HG2 ILE 15 2HG2 ILE 15 0.050 -15.617 1.884 124 3HG2 ILE 15 3HG2 ILE 15 1.721 -15.017 2.001 125 1HD1 ILE 15 1HD1 ILE 15 -1.065 -14.190 5.266 126 2HD1 ILE 15 2HD1 ILE 15 -1.699 -14.439 3.621 127 3HD1 ILE 15 3HD1 ILE 15 -2.431 -15.299 4.997 128 H ALA 16 H ALA 16 3.560 -14.200 4.324 129 HA ALA 16 HA ALA 16 5.057 -15.076 2.167 130 1HB ALA 16 1HB ALA 16 6.027 -13.227 4.373 131 2HB ALA 16 2HB ALA 16 4.820 -12.733 3.161 132 3HB ALA 16 3HB ALA 16 6.459 -13.200 2.646 133 H HIS 17 H HIS 17 5.743 -15.264 5.725 134 HA HIS 17 HA HIS 17 8.208 -16.525 5.423 135 1HB HIS 17 1HB HIS 17 7.030 -15.376 7.470 136 2HB HIS 17 2HB HIS 17 6.431 -16.989 7.802 137 HD1 HIS 17 HD1 HIS 17 9.919 -15.806 6.696 138 HD2 HIS 17 HD2 HIS 17 8.050 -17.986 9.753 139 HE1 HIS 17 HE1 HIS 17 11.787 -16.663 8.208 140 H SER 18 H SER 18 4.858 -17.709 5.359 141 HA SER 18 HA SER 18 5.518 -20.399 5.770 142 1HB SER 18 1HB SER 18 3.239 -19.476 6.104 143 2HB SER 18 2HB SER 18 3.108 -19.136 4.389 144 HG SER 18 HG SER 18 2.065 -21.111 4.762 145 H ALA 19 H ALA 19 6.117 -18.247 3.178 146 HA ALA 19 HA ALA 19 6.056 -20.382 1.183 147 1HB ALA 19 1HB ALA 19 4.959 -18.241 0.631 148 2HB ALA 19 2HB ALA 19 6.366 -18.529 -0.421 149 3HB ALA 19 3HB ALA 19 6.487 -17.378 0.930 150 H ASN 20 H ASN 20 8.212 -18.091 2.921 151 HA ASN 20 HA ASN 20 10.400 -19.820 2.169 152 1HB ASN 20 1HB ASN 20 11.849 -17.806 1.682 153 2HB ASN 20 2HB ASN 20 10.552 -18.002 0.521 154 1HD2 ASN 20 2HD2 ASN 20 8.391 -16.975 1.413 155 2HD2 ASN 20 1HD2 ASN 20 8.523 -15.323 1.916 156 HA PRO 21 HA PRO 21 11.168 -18.933 6.485 157 1HB PRO 21 1HB PRO 21 13.270 -20.547 6.890 158 2HB PRO 21 2HB PRO 21 11.700 -21.244 6.374 159 1HG PRO 21 1HG PRO 21 13.874 -20.380 4.852 160 2HG PRO 21 2HG PRO 21 13.331 -22.037 4.430 161 1HD PRO 21 1HD PRO 21 12.572 -20.075 2.834 162 2HD PRO 21 2HD PRO 21 11.273 -21.136 3.459 163 H MET 22 H MET 22 11.853 -16.717 4.932 164 HA MET 22 HA MET 22 14.340 -16.024 6.185 165 1HB MET 22 1HB MET 22 15.291 -15.154 4.007 166 2HB MET 22 2HB MET 22 15.101 -16.896 3.997 167 1HG MET 22 1HG MET 22 12.829 -16.552 2.859 168 2HG MET 22 2HG MET 22 13.228 -14.851 2.715 169 1HE MET 22 1HE MET 22 15.177 -13.968 1.924 170 2HE MET 22 2HE MET 22 16.540 -14.811 1.149 171 3HE MET 22 3HE MET 22 15.194 -14.197 0.159 172 H TYR 23 H TYR 23 11.733 -15.260 6.751 173 HA TYR 23 HA TYR 23 11.912 -12.369 6.297 174 1HB TYR 23 1HB TYR 23 10.577 -13.441 4.384 175 2HB TYR 23 2HB TYR 23 9.352 -13.825 5.605 176 HD1 TYR 23 HD1 TYR 23 7.589 -12.348 5.794 177 HD2 TYR 23 HD2 TYR 23 11.422 -10.863 4.550 178 HE1 TYR 23 HE1 TYR 23 6.627 -10.076 5.544 179 HE2 TYR 23 HE2 TYR 23 10.461 -8.590 4.300 180 HH TYR 23 HH TYR 23 8.261 -7.484 3.981 181 H GLU 24 H GLU 24 11.928 -11.733 8.451 182 HA GLU 24 HA GLU 24 10.239 -13.222 10.250 183 1HB GLU 24 1HB GLU 24 12.435 -11.162 10.604 184 2HB GLU 24 2HB GLU 24 11.376 -11.564 11.942 185 1HG GLU 24 1HG GLU 24 12.486 -13.917 10.480 186 2HG GLU 24 2HG GLU 24 13.680 -12.942 11.313 187 H ALA 25 H ALA 25 10.742 -9.832 9.079 188 HA ALA 25 HA ALA 25 7.930 -9.329 9.390 189 1HB ALA 25 1HB ALA 25 9.596 -7.309 10.806 190 2HB ALA 25 2HB ALA 25 7.966 -7.917 11.183 191 3HB ALA 25 3HB ALA 25 9.399 -8.871 11.635 192 HA PRO 26 HA PRO 26 8.709 -6.424 6.196 193 1HB PRO 26 1HB PRO 26 7.181 -4.250 7.490 194 2HB PRO 26 2HB PRO 26 6.728 -5.323 6.125 195 1HG PRO 26 1HG PRO 26 5.353 -5.741 8.680 196 2HG PRO 26 2HG PRO 26 5.832 -6.830 7.337 197 1HD PRO 26 1HD PRO 26 7.441 -6.081 9.859 198 2HD PRO 26 2HD PRO 26 6.855 -7.707 9.395 199 H SER 27 H SER 27 9.077 -3.687 6.008 200 HA SER 27 HA SER 27 11.036 -3.070 8.057 201 1HB SER 27 1HB SER 27 12.047 -4.098 5.870 202 2HB SER 27 2HB SER 27 11.648 -2.561 5.128 203 HG SER 27 HG SER 27 12.976 -1.483 6.704 204 H ILE 28 H ILE 28 11.652 -0.672 7.991 205 HA ILE 28 HA ILE 28 9.386 0.874 6.935 206 HB ILE 28 HB ILE 28 9.547 2.322 8.804 207 1HG1 ILE 28 1HG1 ILE 28 11.607 0.855 10.314 208 2HG1 ILE 28 2HG1 ILE 28 12.220 1.671 8.889 209 1HG2 ILE 28 1HG2 ILE 28 9.028 -0.493 9.073 210 2HG2 ILE 28 2HG2 ILE 28 9.676 0.149 10.602 211 3HG2 ILE 28 3HG2 ILE 28 8.233 0.887 9.867 212 1HD1 ILE 28 1HD1 ILE 28 10.601 3.641 9.872 213 2HD1 ILE 28 2HD1 ILE 28 11.059 2.823 11.386 214 3HD1 ILE 28 3HD1 ILE 28 12.319 3.474 10.310 215 H THR 29 H THR 29 11.960 0.049 5.608 216 HA THR 29 HA THR 29 12.702 2.718 4.761 217 HB THR 29 HB THR 29 14.763 0.744 5.877 218 HG1 THR 29 HG1 THR 29 14.535 2.017 7.713 219 1HG2 THR 29 1HG2 THR 29 15.577 2.349 4.066 220 2HG2 THR 29 2HG2 THR 29 15.021 3.692 5.093 221 3HG2 THR 29 3HG2 THR 29 16.326 2.622 5.658 222 H ASP 30 H ASP 30 11.150 0.623 3.554 223 HA ASP 30 HA ASP 30 12.876 0.228 1.274 224 1HB ASP 30 1HB ASP 30 13.009 -1.898 2.528 225 2HB ASP 30 2HB ASP 30 11.262 -1.979 2.636 226 H GLY 31 H GLY 31 9.623 -0.132 2.836 227 1HA GLY 31 1HA GLY 31 7.568 0.465 2.133 228 2HA GLY 31 2HA GLY 31 7.973 -0.439 0.687 229 H LYS 32 H LYS 32 9.963 2.359 1.515 230 HA LYS 32 HA LYS 32 8.403 4.243 0.062 231 1HB LYS 32 1HB LYS 32 10.390 5.702 0.389 232 2HB LYS 32 2HB LYS 32 9.767 5.013 1.874 233 1HG LYS 32 1HG LYS 32 11.742 3.980 2.299 234 2HG LYS 32 2HG LYS 32 11.722 3.188 0.735 235 1HD LYS 32 1HD LYS 32 13.647 4.486 0.512 236 2HD LYS 32 2HD LYS 32 12.460 5.577 -0.173 237 1HE LYS 32 1HE LYS 32 13.270 7.091 1.338 238 2HE LYS 32 2HE LYS 32 12.273 6.239 2.500 239 1HZ LYS 32 1HZ LYS 32 14.390 4.721 2.568 240 2HZ LYS 32 2HZ LYS 32 15.130 6.104 2.111 241 3HZ LYS 32 3HZ LYS 32 14.265 6.060 3.495 242 H ILE 33 H ILE 33 11.101 2.010 -0.648 243 HA ILE 33 HA ILE 33 11.666 3.157 -3.182 244 HB ILE 33 HB ILE 33 12.365 0.536 -1.869 245 1HG1 ILE 33 1HG1 ILE 33 14.282 2.737 -2.580 246 2HG1 ILE 33 2HG1 ILE 33 13.287 2.890 -1.146 247 1HG2 ILE 33 1HG2 ILE 33 12.974 1.534 -4.640 248 2HG2 ILE 33 2HG2 ILE 33 14.113 0.471 -3.779 249 3HG2 ILE 33 3HG2 ILE 33 12.453 -0.081 -4.105 250 1HD1 ILE 33 1HD1 ILE 33 14.940 0.394 -1.711 251 2HD1 ILE 33 2HD1 ILE 33 15.578 1.788 -0.806 252 3HD1 ILE 33 3HD1 ILE 33 14.185 0.878 -0.173 253 H PHE 34 H PHE 34 9.921 0.148 -2.127 254 HA PHE 34 HA PHE 34 9.096 -0.570 -4.679 255 1HB PHE 34 1HB PHE 34 8.979 -2.109 -2.783 256 2HB PHE 34 2HB PHE 34 8.076 -0.960 -1.817 257 HD1 PHE 34 HD1 PHE 34 5.838 -1.394 -1.523 258 HD2 PHE 34 HD2 PHE 34 7.709 -2.743 -5.085 259 HE1 PHE 34 HE1 PHE 34 3.690 -2.477 -2.242 260 HE2 PHE 34 HE2 PHE 34 5.562 -3.826 -5.803 261 HZ PHE 34 HZ PHE 34 3.578 -3.680 -4.373 262 H PHE 35 H PHE 35 8.169 2.127 -2.753 263 HA PHE 35 HA PHE 35 5.634 2.330 -4.219 264 1HB PHE 35 1HB PHE 35 5.478 2.298 -1.721 265 2HB PHE 35 2HB PHE 35 6.711 3.538 -1.602 266 HD1 PHE 35 HD1 PHE 35 3.277 2.934 -2.891 267 HD2 PHE 35 HD2 PHE 35 6.111 5.796 -1.554 268 HE1 PHE 35 HE1 PHE 35 1.499 4.706 -2.914 269 HE2 PHE 35 HE2 PHE 35 4.333 7.567 -1.577 270 HZ PHE 35 HZ PHE 35 2.048 7.001 -2.257 271 H ASN 36 H ASN 36 8.770 3.229 -4.532 272 HA ASN 36 HA ASN 36 7.966 5.738 -5.743 273 1HB ASN 36 1HB ASN 36 10.405 5.320 -3.937 274 2HB ASN 36 2HB ASN 36 10.186 6.736 -4.946 275 1HD2 ASN 36 2HD2 ASN 36 10.491 7.166 -2.360 276 2HD2 ASN 36 1HD2 ASN 36 9.018 7.628 -1.574 277 H ARG 37 H ARG 37 8.638 2.859 -6.579 278 HA ARG 37 HA ARG 37 11.083 3.388 -8.052 279 1HB ARG 37 1HB ARG 37 10.807 1.276 -6.577 280 2HB ARG 37 2HB ARG 37 9.651 0.706 -7.764 281 1HG ARG 37 1HG ARG 37 11.290 0.531 -9.477 282 2HG ARG 37 2HG ARG 37 12.395 1.626 -8.669 283 1HD ARG 37 1HD ARG 37 13.351 -0.064 -7.468 284 2HD ARG 37 2HD ARG 37 11.795 -0.706 -6.981 285 HE ARG 37 HE ARG 37 11.903 -2.249 -8.741 286 1HH1 ARG 37 1HH1 ARG 37 12.865 -3.293 -10.531 287 2HH1 ARG 37 2HH1 ARG 37 14.183 -2.541 -11.366 288 1HH2 ARG 37 1HH2 ARG 37 14.241 0.318 -9.309 289 2HH2 ARG 37 2HH2 ARG 37 14.971 -0.473 -10.666 290 H LYS 38 H LYS 38 10.421 4.479 -9.928 291 HA LYS 38 HA LYS 38 8.019 4.180 -11.218 292 1HB LYS 38 1HB LYS 38 9.467 6.039 -11.668 293 2HB LYS 38 2HB LYS 38 10.748 4.993 -12.247 294 1HG LYS 38 1HG LYS 38 8.771 4.182 -13.926 295 2HG LYS 38 2HG LYS 38 8.192 5.805 -13.606 296 1HD LYS 38 1HD LYS 38 10.854 4.974 -14.822 297 2HD LYS 38 2HD LYS 38 9.615 5.990 -15.533 298 1HE LYS 38 1HE LYS 38 10.176 7.857 -14.192 299 2HE LYS 38 2HE LYS 38 10.915 6.872 -12.945 300 1HZ LYS 38 1HZ LYS 38 12.084 6.873 -15.609 301 2HZ LYS 38 2HZ LYS 38 12.371 8.139 -14.618 302 3HZ LYS 38 3HZ LYS 38 12.807 6.632 -14.165 303 H PHE 39 H PHE 39 7.241 2.095 -11.486 304 HA PHE 39 HA PHE 39 8.972 0.234 -12.917 305 1HB PHE 39 1HB PHE 39 7.086 -1.357 -12.208 306 2HB PHE 39 2HB PHE 39 7.889 -0.581 -10.858 307 HD1 PHE 39 HD1 PHE 39 4.867 -0.418 -12.995 308 HD2 PHE 39 HD2 PHE 39 6.682 0.762 -9.345 309 HE1 PHE 39 HE1 PHE 39 2.657 0.442 -12.174 310 HE2 PHE 39 HE2 PHE 39 4.471 1.621 -8.524 311 HZ PHE 39 HZ PHE 39 2.485 1.451 -9.948 312 H LYS 40 H LYS 40 7.849 -1.187 -14.606 313 HA LYS 40 HA LYS 40 6.162 0.559 -16.249 314 1HB LYS 40 1HB LYS 40 8.052 -1.692 -16.985 315 2HB LYS 40 2HB LYS 40 6.955 -0.934 -18.122 316 1HG LYS 40 1HG LYS 40 8.259 1.217 -16.790 317 2HG LYS 40 2HG LYS 40 9.518 0.041 -17.109 318 1HD LYS 40 1HD LYS 40 7.552 0.762 -19.303 319 2HD LYS 40 2HD LYS 40 8.892 1.837 -18.954 320 1HE LYS 40 1HE LYS 40 10.000 0.496 -20.463 321 2HE LYS 40 2HE LYS 40 10.262 -0.513 -19.054 322 1HZ LYS 40 1HZ LYS 40 7.779 -0.901 -20.475 323 2HZ LYS 40 2HZ LYS 40 9.137 -1.407 -21.229 324 3HZ LYS 40 3HZ LYS 40 8.751 -2.000 -19.757 325 H THR 41 H THR 41 4.274 -0.305 -17.275 326 HA THR 41 HA THR 41 3.222 -2.646 -15.840 327 HB THR 41 HB THR 41 1.022 -1.629 -16.305 328 HG1 THR 41 HG1 THR 41 1.118 0.411 -17.573 329 1HG2 THR 41 1HG2 THR 41 3.179 0.236 -15.253 330 2HG2 THR 41 2HG2 THR 41 1.520 0.838 -15.477 331 3HG2 THR 41 3HG2 THR 41 1.832 -0.517 -14.366 332 HA PRO 42 HA PRO 42 3.126 -5.143 -19.378 333 1HB PRO 42 1HB PRO 42 0.793 -6.545 -18.961 334 2HB PRO 42 2HB PRO 42 2.259 -6.760 -17.950 335 1HG PRO 42 1HG PRO 42 -0.290 -5.016 -16.885 336 2HG PRO 42 2HG PRO 42 0.851 -6.373 -16.615 337 1HD PRO 42 1HD PRO 42 1.269 -3.558 -16.088 338 2HD PRO 42 2HD PRO 42 2.492 -4.863 -16.000 339 H SER 43 H SER 43 0.953 -2.534 -18.853 340 HA SER 43 HA SER 43 -0.364 -3.089 -21.387 341 1HB SER 43 1HB SER 43 -2.207 -1.934 -20.625 342 2HB SER 43 2HB SER 43 -1.564 -2.440 -19.075 343 HG SER 43 HG SER 43 -1.053 -0.405 -18.576 344 H GLY 44 H GLY 44 2.463 -2.138 -21.027 345 1HA GLY 44 1HA GLY 44 2.719 -0.346 -23.054 346 2HA GLY 44 2HA GLY 44 3.863 -0.518 -21.737 347 H LYS 45 H LYS 45 3.480 0.769 -19.710 348 HA LYS 45 HA LYS 45 3.130 3.433 -20.253 349 1HB LYS 45 1HB LYS 45 0.822 3.152 -20.717 350 2HB LYS 45 2HB LYS 45 0.579 2.099 -19.338 351 1HG LYS 45 1HG LYS 45 0.034 3.907 -18.088 352 2HG LYS 45 2HG LYS 45 1.676 4.496 -18.265 353 1HD LYS 45 1HD LYS 45 1.122 5.973 -19.978 354 2HD LYS 45 2HD LYS 45 -0.165 4.955 -20.593 355 1HE LYS 45 1HE LYS 45 -1.331 5.535 -18.260 356 2HE LYS 45 2HE LYS 45 -0.233 6.901 -18.278 357 1HZ LYS 45 1HZ LYS 45 -1.100 7.270 -20.606 358 2HZ LYS 45 2HZ LYS 45 -2.312 6.244 -20.225 359 3HZ LYS 45 3HZ LYS 45 -2.113 7.625 -19.376 360 H GLU 46 H GLU 46 4.931 3.636 -18.934 361 HA GLU 46 HA GLU 46 5.322 2.332 -16.577 362 1HB GLU 46 1HB GLU 46 7.046 3.974 -16.128 363 2HB GLU 46 2HB GLU 46 7.014 3.688 -17.857 364 1HG GLU 46 1HG GLU 46 6.511 5.861 -18.284 365 2HG GLU 46 2HG GLU 46 5.143 5.821 -17.189 366 H ALA 47 H ALA 47 5.220 3.108 -14.301 367 HA ALA 47 HA ALA 47 3.630 5.372 -13.670 368 1HB ALA 47 1HB ALA 47 2.230 2.965 -14.297 369 2HB ALA 47 2HB ALA 47 1.573 4.475 -13.620 370 3HB ALA 47 3HB ALA 47 2.142 3.185 -12.533 371 H ALA 48 H ALA 48 3.033 5.137 -11.136 372 HA ALA 48 HA ALA 48 4.917 3.484 -9.722 373 1HB ALA 48 1HB ALA 48 5.275 6.463 -10.063 374 2HB ALA 48 2HB ALA 48 6.494 5.167 -10.116 375 3HB ALA 48 3HB ALA 48 5.791 5.665 -8.558 376 H CYS 49 H CYS 49 4.487 3.504 -7.387 377 HA CYS 49 HA CYS 49 1.741 3.727 -6.872 378 1HB CYS 49 1HB CYS 49 4.012 3.447 -4.893 379 2HB CYS 49 2HB CYS 49 2.317 3.128 -4.582 380 H ALA 50 H ALA 50 4.239 6.044 -7.113 381 HA ALA 50 HA ALA 50 2.905 7.850 -5.225 382 1HB ALA 50 1HB ALA 50 5.212 7.678 -4.700 383 2HB ALA 50 2HB ALA 50 5.069 9.193 -5.623 384 3HB ALA 50 3HB ALA 50 5.691 7.726 -6.414 385 H SER 51 H SER 51 2.495 6.896 -8.296 386 HA SER 51 HA SER 51 2.712 9.376 -9.644 387 1HB SER 51 1HB SER 51 1.647 8.194 -11.517 388 2HB SER 51 2HB SER 51 2.910 7.201 -10.818 389 HG SER 51 HG SER 51 0.231 6.904 -9.847 390 H CYS 52 H CYS 52 0.242 7.623 -7.785 391 HA CYS 52 HA CYS 52 -1.643 9.777 -8.419 392 1HB CYS 52 1HB CYS 52 -2.287 6.925 -7.596 393 2HB CYS 52 2HB CYS 52 -3.459 8.195 -7.887 394 H HIS 53 H HIS 53 -0.366 7.498 -6.017 395 HA HIS 53 HA HIS 53 -1.554 8.972 -3.754 396 1HB HIS 53 1HB HIS 53 0.359 6.574 -3.781 397 2HB HIS 53 2HB HIS 53 -0.640 7.177 -2.389 398 HD1 HIS 53 HD1 HIS 53 -3.349 7.261 -3.291 399 HD2 HIS 53 HD2 HIS 53 -0.769 4.307 -4.735 400 HE1 HIS 53 HE1 HIS 53 -4.851 5.331 -4.106 401 H THR 54 H THR 54 0.719 9.975 -5.742 402 HA THR 54 HA THR 54 2.608 11.158 -5.616 403 HB THR 54 HB THR 54 2.583 12.846 -3.776 404 HG1 THR 54 HG1 THR 54 1.929 11.765 -1.930 405 1HG2 THR 54 1HG2 THR 54 -0.161 12.027 -4.850 406 2HG2 THR 54 2HG2 THR 54 0.085 13.483 -3.855 407 3HG2 THR 54 3HG2 THR 54 0.883 13.343 -5.440 408 H ASN 55 H ASN 55 4.669 11.680 -4.270 409 HA ASN 55 HA ASN 55 5.927 9.313 -3.825 410 1HB ASN 55 1HB ASN 55 7.636 10.775 -2.546 411 2HB ASN 55 2HB ASN 55 7.263 11.287 -4.180 412 1HD2 ASN 55 2HD2 ASN 55 6.319 13.200 -4.561 413 2HD2 ASN 55 1HD2 ASN 55 5.883 14.363 -3.354 414 H ASN 56 H ASN 56 3.751 11.157 -1.784 415 HA ASN 56 HA ASN 56 4.381 9.350 0.412 416 1HB ASN 56 1HB ASN 56 4.529 12.236 0.390 417 2HB ASN 56 2HB ASN 56 3.167 11.796 1.400 418 1HD2 ASN 56 2HD2 ASN 56 6.603 11.622 0.929 419 2HD2 ASN 56 1HD2 ASN 56 7.049 11.038 2.497 420 HA PRO 57 HA PRO 57 0.032 8.489 -0.230 421 1HB PRO 57 1HB PRO 57 -0.255 6.639 1.746 422 2HB PRO 57 2HB PRO 57 0.738 6.313 0.288 423 1HG PRO 57 1HG PRO 57 1.890 7.171 3.024 424 2HG PRO 57 2HG PRO 57 2.222 5.857 1.849 425 1HD PRO 57 1HD PRO 57 3.532 8.334 1.889 426 2HD PRO 57 2HD PRO 57 3.340 7.335 0.417 427 H ALA 58 H ALA 58 1.362 9.088 3.124 428 HA ALA 58 HA ALA 58 -1.055 9.729 4.299 429 1HB ALA 58 1HB ALA 58 1.356 11.273 5.124 430 2HB ALA 58 2HB ALA 58 1.528 9.502 5.111 431 3HB ALA 58 3HB ALA 58 0.255 10.264 6.093 432 H ASN 59 H ASN 59 0.732 11.371 1.817 433 HA ASN 59 HA ASN 59 -0.322 13.940 2.485 434 1HB ASN 59 1HB ASN 59 1.929 13.310 1.218 435 2HB ASN 59 2HB ASN 59 0.905 13.199 -0.200 436 1HD2 ASN 59 2HD2 ASN 59 3.016 15.035 0.207 437 2HD2 ASN 59 1HD2 ASN 59 2.376 16.645 0.197 438 H VAL 60 H VAL 60 -1.416 15.147 0.422 439 HA VAL 60 HA VAL 60 -3.761 13.623 -0.183 440 HB VAL 60 HB VAL 60 -2.826 16.403 -0.911 441 1HG1 VAL 60 1HG1 VAL 60 -5.122 14.822 -1.874 442 2HG1 VAL 60 2HG1 VAL 60 -5.549 16.426 -1.232 443 3HG1 VAL 60 3HG1 VAL 60 -4.365 16.283 -2.553 444 1HG2 VAL 60 1HG2 VAL 60 -4.210 15.221 1.395 445 2HG2 VAL 60 2HG2 VAL 60 -3.370 16.782 1.235 446 3HG2 VAL 60 3HG2 VAL 60 -5.059 16.620 0.695 447 H GLY 61 H GLY 61 -4.003 12.269 -1.879 448 1HA GLY 61 1HA GLY 61 -3.197 11.074 -3.680 449 2HA GLY 61 2HA GLY 61 -1.991 12.307 -3.989 450 H LYS 62 H LYS 62 -3.208 11.481 -6.218 451 HA LYS 62 HA LYS 62 -5.636 12.893 -6.733 452 1HB LYS 62 1HB LYS 62 -4.249 14.826 -6.840 453 2HB LYS 62 2HB LYS 62 -3.016 13.993 -7.766 454 1HG LYS 62 1HG LYS 62 -4.676 13.695 -9.646 455 2HG LYS 62 2HG LYS 62 -5.851 14.613 -8.724 456 1HD LYS 62 1HD LYS 62 -3.115 15.670 -9.583 457 2HD LYS 62 2HD LYS 62 -4.617 16.007 -10.420 458 1HE LYS 62 1HE LYS 62 -4.882 16.573 -7.555 459 2HE LYS 62 2HE LYS 62 -3.525 17.449 -8.236 460 1HZ LYS 62 1HZ LYS 62 -5.360 17.830 -10.098 461 2HZ LYS 62 2HZ LYS 62 -6.325 17.735 -8.784 462 3HZ LYS 62 3HZ LYS 62 -5.132 18.848 -8.842 463 H ASN 63 H ASN 63 -6.701 11.982 -8.474 464 HA ASN 63 HA ASN 63 -5.416 9.659 -9.539 465 1HB ASN 63 1HB ASN 63 -8.217 10.842 -9.682 466 2HB ASN 63 2HB ASN 63 -7.768 9.539 -10.764 467 1HD2 ASN 63 2HD2 ASN 63 -9.785 9.276 -8.925 468 2HD2 ASN 63 1HD2 ASN 63 -9.352 8.134 -7.698 469 H ILE 64 H ILE 64 -4.590 9.516 -11.660 470 HA ILE 64 HA ILE 64 -4.563 11.963 -13.193 471 HB ILE 64 HB ILE 64 -2.822 11.013 -14.407 472 1HG1 ILE 64 1HG1 ILE 64 -3.690 8.288 -13.399 473 2HG1 ILE 64 2HG1 ILE 64 -3.908 8.910 -15.023 474 1HG2 ILE 64 1HG2 ILE 64 -2.714 11.116 -11.645 475 2HG2 ILE 64 2HG2 ILE 64 -2.022 9.521 -12.028 476 3HG2 ILE 64 3HG2 ILE 64 -1.327 10.991 -12.754 477 1HD1 ILE 64 1HD1 ILE 64 -1.110 9.069 -14.022 478 2HD1 ILE 64 2HD1 ILE 64 -1.745 7.417 -14.219 479 3HD1 ILE 64 3HD1 ILE 64 -1.724 8.534 -15.605 480 H VAL 65 H VAL 65 -6.920 9.821 -12.734 481 HA VAL 65 HA VAL 65 -7.482 9.246 -15.522 482 HB VAL 65 HB VAL 65 -8.809 8.529 -12.907 483 1HG1 VAL 65 1HG1 VAL 65 -10.431 8.895 -14.846 484 2HG1 VAL 65 2HG1 VAL 65 -9.649 7.500 -15.627 485 3HG1 VAL 65 3HG1 VAL 65 -10.471 7.298 -14.061 486 1HG2 VAL 65 1HG2 VAL 65 -6.854 7.241 -14.712 487 2HG2 VAL 65 2HG2 VAL 65 -7.150 6.999 -12.974 488 3HG2 VAL 65 3HG2 VAL 65 -8.187 6.191 -14.175 489 H THR 66 H THR 66 -9.009 10.978 -12.717 490 HA THR 66 HA THR 66 -10.537 12.532 -14.697 491 HB THR 66 HB THR 66 -12.130 12.866 -12.792 492 HG1 THR 66 HG1 THR 66 -11.526 11.857 -10.791 493 1HG2 THR 66 1HG2 THR 66 -11.263 9.988 -13.347 494 2HG2 THR 66 2HG2 THR 66 -12.661 10.380 -12.317 495 3HG2 THR 66 3HG2 THR 66 -12.660 10.851 -14.033 496 H GLY 67 H GLY 67 -8.237 12.644 -11.994 497 1HA GLY 67 1HA GLY 67 -7.497 15.323 -12.736 498 2HA GLY 67 2HA GLY 67 -6.789 14.318 -11.487 499 H LYS 68 H LYS 68 -9.281 13.698 -10.059 500 HA LYS 68 HA LYS 68 -10.374 16.264 -9.316 501 1HB LYS 68 1HB LYS 68 -10.988 13.391 -8.683 502 2HB LYS 68 2HB LYS 68 -11.603 14.655 -7.637 503 1HG LYS 68 1HG LYS 68 -11.985 15.324 -10.478 504 2HG LYS 68 2HG LYS 68 -12.736 13.794 -10.071 505 1HD LYS 68 1HD LYS 68 -14.071 14.800 -8.320 506 2HD LYS 68 2HD LYS 68 -13.139 16.283 -8.360 507 1HE LYS 68 1HE LYS 68 -13.941 16.685 -10.722 508 2HE LYS 68 2HE LYS 68 -14.929 15.242 -10.609 509 1HZ LYS 68 1HZ LYS 68 -15.337 16.964 -8.404 510 2HZ LYS 68 2HZ LYS 68 -15.639 17.729 -9.815 511 3HZ LYS 68 3HZ LYS 68 -16.429 16.347 -9.450 512 H GLU 69 H GLU 69 -9.714 13.760 -6.889 513 HA GLU 69 HA GLU 69 -7.324 14.738 -5.944 514 1HB GLU 69 1HB GLU 69 -7.898 16.176 -4.117 515 2HB GLU 69 2HB GLU 69 -8.757 16.802 -5.511 516 1HG GLU 69 1HG GLU 69 -10.800 15.482 -4.770 517 2HG GLU 69 2HG GLU 69 -9.929 15.028 -3.318 518 H ILE 70 H ILE 70 -6.538 13.042 -4.767 519 HA ILE 70 HA ILE 70 -8.534 11.307 -3.494 520 HB ILE 70 HB ILE 70 -5.769 10.653 -4.519 521 1HG1 ILE 70 1HG1 ILE 70 -7.755 11.163 -6.158 522 2HG1 ILE 70 2HG1 ILE 70 -6.690 9.799 -6.434 523 1HG2 ILE 70 1HG2 ILE 70 -7.809 9.090 -2.979 524 2HG2 ILE 70 2HG2 ILE 70 -6.788 8.260 -4.177 525 3HG2 ILE 70 3HG2 ILE 70 -6.037 9.131 -2.819 526 1HD1 ILE 70 1HD1 ILE 70 -8.985 9.183 -4.652 527 2HD1 ILE 70 2HD1 ILE 70 -9.440 9.633 -6.313 528 3HD1 ILE 70 3HD1 ILE 70 -8.338 8.264 -6.032 529 HA PRO 71 HA PRO 71 -7.075 13.293 0.229 530 1HB PRO 71 1HB PRO 71 -8.679 10.980 1.328 531 2HB PRO 71 2HB PRO 71 -8.754 12.734 1.695 532 1HG PRO 71 1HG PRO 71 -10.466 11.531 0.279 533 2HG PRO 71 2HG PRO 71 -10.243 13.261 -0.143 534 1HD PRO 71 1HD PRO 71 -9.458 10.803 -1.633 535 2HD PRO 71 2HD PRO 71 -9.524 12.496 -2.210 536 HA PRO 72 HA PRO 72 -3.586 11.084 1.681 537 1HB PRO 72 1HB PRO 72 -4.433 10.529 4.371 538 2HB PRO 72 2HB PRO 72 -3.496 11.941 3.783 539 1HG PRO 72 1HG PRO 72 -6.399 11.672 4.210 540 2HG PRO 72 2HG PRO 72 -5.581 13.224 4.586 541 1HD PRO 72 1HD PRO 72 -6.938 13.137 2.342 542 2HD PRO 72 2HD PRO 72 -5.222 13.622 2.185 543 H LEU 73 H LEU 73 -3.055 8.940 1.242 544 HA LEU 73 HA LEU 73 -5.214 7.024 1.339 545 1HB LEU 73 1HB LEU 73 -3.956 6.986 -0.636 546 2HB LEU 73 2HB LEU 73 -2.427 7.051 0.218 547 HG LEU 73 HG LEU 73 -3.271 4.711 1.181 548 1HD1 LEU 73 1HD1 LEU 73 -4.679 4.919 -1.494 549 2HD1 LEU 73 2HD1 LEU 73 -4.443 3.420 -0.565 550 3HD1 LEU 73 3HD1 LEU 73 -5.440 4.733 0.104 551 1HD2 LEU 73 1HD2 LEU 73 -1.489 5.580 -0.865 552 2HD2 LEU 73 2HD2 LEU 73 -1.408 4.114 0.141 553 3HD2 LEU 73 3HD2 LEU 73 -2.275 4.080 -1.413 554 H ALA 74 H ALA 74 -2.469 8.062 3.256 555 HA ALA 74 HA ALA 74 -1.580 5.926 4.563 556 1HB ALA 74 1HB ALA 74 -0.747 7.981 5.284 557 2HB ALA 74 2HB ALA 74 -2.369 8.686 5.484 558 3HB ALA 74 3HB ALA 74 -1.761 7.503 6.667 559 HA PRO 75 HA PRO 75 -5.539 4.057 5.678 560 1HB PRO 75 1HB PRO 75 -3.731 1.710 6.084 561 2HB PRO 75 2HB PRO 75 -5.166 1.907 5.025 562 1HG PRO 75 1HG PRO 75 -2.634 1.929 3.627 563 2HG PRO 75 2HG PRO 75 -4.199 2.802 3.541 564 1HD PRO 75 1HD PRO 75 -1.690 3.621 5.144 565 2HD PRO 75 2HD PRO 75 -2.317 4.438 3.680 566 H ARG 76 H ARG 76 -4.533 5.795 7.574 567 HA ARG 76 HA ARG 76 -4.975 4.325 9.907 568 1HB ARG 76 1HB ARG 76 -2.520 3.773 9.446 569 2HB ARG 76 2HB ARG 76 -2.155 5.478 9.626 570 1HG ARG 76 1HG ARG 76 -3.745 4.702 11.897 571 2HG ARG 76 2HG ARG 76 -2.501 3.485 11.694 572 1HD ARG 76 1HD ARG 76 -0.766 5.319 11.594 573 2HD ARG 76 2HD ARG 76 -2.028 6.500 11.882 574 HE ARG 76 HE ARG 76 -1.878 4.323 13.871 575 1HH1 ARG 76 1HH1 ARG 76 -1.407 4.925 16.024 576 2HH1 ARG 76 2HH1 ARG 76 -0.841 6.525 16.372 577 1HH2 ARG 76 1HH2 ARG 76 -0.919 7.600 13.018 578 2HH2 ARG 76 2HH2 ARG 76 -0.562 8.057 14.650 579 H VAL 77 H VAL 77 -3.306 7.259 8.558 580 HA VAL 77 HA VAL 77 -3.701 9.015 10.587 581 HB VAL 77 HB VAL 77 -3.721 9.305 7.594 582 1HG1 VAL 77 1HG1 VAL 77 -4.036 11.500 9.660 583 2HG1 VAL 77 2HG1 VAL 77 -3.445 11.792 8.006 584 3HG1 VAL 77 3HG1 VAL 77 -5.082 11.142 8.265 585 1HG2 VAL 77 1HG2 VAL 77 -1.729 9.314 9.740 586 2HG2 VAL 77 2HG2 VAL 77 -1.524 9.093 7.985 587 3HG2 VAL 77 3HG2 VAL 77 -1.603 10.733 8.673 588 H ASN 78 H ASN 78 -6.066 7.932 8.093 589 HA ASN 78 HA ASN 78 -8.056 9.600 9.361 590 1HB ASN 78 1HB ASN 78 -8.586 7.736 7.018 591 2HB ASN 78 2HB ASN 78 -9.381 9.250 7.402 592 1HD2 ASN 78 2HD2 ASN 78 -8.645 9.026 4.918 593 2HD2 ASN 78 1HD2 ASN 78 -7.233 9.947 4.522 594 H THR 79 H THR 79 -10.026 8.643 10.269 595 HA THR 79 HA THR 79 -9.613 5.989 11.320 596 HB THR 79 HB THR 79 -11.816 6.617 12.494 597 HG1 THR 79 HG1 THR 79 -12.476 8.822 12.026 598 1HG2 THR 79 1HG2 THR 79 -9.210 7.651 12.940 599 2HG2 THR 79 2HG2 THR 79 -10.280 9.073 12.972 600 3HG2 THR 79 3HG2 THR 79 -10.578 7.710 14.078 601 H LYS 80 H LYS 80 -11.281 7.473 8.618 602 HA LYS 80 HA LYS 80 -12.954 5.114 8.299 603 1HB LYS 80 1HB LYS 80 -12.873 7.834 6.993 604 2HB LYS 80 2HB LYS 80 -13.789 6.513 6.296 605 1HG LYS 80 1HG LYS 80 -15.413 6.628 7.903 606 2HG LYS 80 2HG LYS 80 -14.248 6.790 9.203 607 1HD LYS 80 1HD LYS 80 -15.080 8.927 9.333 608 2HD LYS 80 2HD LYS 80 -13.940 9.238 8.039 609 1HE LYS 80 1HE LYS 80 -15.748 9.967 6.852 610 2HE LYS 80 2HE LYS 80 -16.118 8.270 6.621 611 1HZ LYS 80 1HZ LYS 80 -17.085 9.866 8.891 612 2HZ LYS 80 2HZ LYS 80 -17.957 9.546 7.548 613 3HZ LYS 80 3HZ LYS 80 -17.508 8.328 8.538 614 H ARG 81 H ARG 81 -10.293 4.416 8.216 615 HA ARG 81 HA ARG 81 -10.097 3.688 5.439 616 1HB ARG 81 1HB ARG 81 -7.952 5.188 6.994 617 2HB ARG 81 2HB ARG 81 -7.514 4.150 5.653 618 1HG ARG 81 1HG ARG 81 -9.697 6.216 5.272 619 2HG ARG 81 2HG ARG 81 -8.021 6.726 5.240 620 1HD ARG 81 1HD ARG 81 -7.608 4.881 3.491 621 2HD ARG 81 2HD ARG 81 -9.345 4.665 3.420 622 HE ARG 81 HE ARG 81 -7.820 6.989 2.421 623 1HH1 ARG 81 1HH1 ARG 81 -8.959 8.487 1.126 624 2HH1 ARG 81 2HH1 ARG 81 -10.688 8.415 1.035 625 1HH2 ARG 81 1HH2 ARG 81 -10.982 5.661 3.211 626 2HH2 ARG 81 2HH2 ARG 81 -11.846 6.797 2.229 627 H PHE 82 H PHE 82 -9.055 1.631 5.141 628 HA PHE 82 HA PHE 82 -8.508 -0.425 5.726 629 1HB PHE 82 1HB PHE 82 -6.852 1.478 7.333 630 2HB PHE 82 2HB PHE 82 -6.919 -0.124 8.040 631 HD1 PHE 82 HD1 PHE 82 -4.474 -0.271 7.662 632 HD2 PHE 82 HD2 PHE 82 -7.205 0.091 4.435 633 HE1 PHE 82 HE1 PHE 82 -2.696 -1.048 6.069 634 HE2 PHE 82 HE2 PHE 82 -5.427 -0.686 2.842 635 HZ PHE 82 HZ PHE 82 -3.194 -1.246 3.679 636 H THR 83 H THR 83 -11.023 0.432 6.765 637 HA THR 83 HA THR 83 -11.052 -0.995 9.344 638 HB THR 83 HB THR 83 -12.489 1.484 8.330 639 HG1 THR 83 HG1 THR 83 -10.524 1.509 9.702 640 1HG2 THR 83 1HG2 THR 83 -13.612 -0.664 10.043 641 2HG2 THR 83 2HG2 THR 83 -13.548 0.920 10.854 642 3HG2 THR 83 3HG2 THR 83 -14.429 0.741 9.317 643 H ASP 84 H ASP 84 -11.011 -2.750 7.436 644 HA ASP 84 HA ASP 84 -13.429 -4.010 7.625 645 1HB ASP 84 1HB ASP 84 -14.320 -3.861 5.333 646 2HB ASP 84 2HB ASP 84 -14.273 -2.270 6.067 647 H ILE 85 H ILE 85 -11.203 -5.200 8.130 648 HA ILE 85 HA ILE 85 -9.350 -5.931 6.333 649 HB ILE 85 HB ILE 85 -10.677 -7.532 8.512 650 1HG1 ILE 85 1HG1 ILE 85 -7.972 -6.168 8.426 651 2HG1 ILE 85 2HG1 ILE 85 -9.419 -5.428 9.080 652 1HG2 ILE 85 1HG2 ILE 85 -9.656 -9.011 6.749 653 2HG2 ILE 85 2HG2 ILE 85 -8.087 -8.261 7.128 654 3HG2 ILE 85 3HG2 ILE 85 -8.962 -9.175 8.380 655 1HD1 ILE 85 1HD1 ILE 85 -9.471 -7.864 10.368 656 2HD1 ILE 85 2HD1 ILE 85 -7.720 -7.585 10.215 657 3HD1 ILE 85 3HD1 ILE 85 -8.743 -6.388 11.044 658 H ASP 86 H ASP 86 -12.611 -7.455 6.737 659 HA ASP 86 HA ASP 86 -12.460 -9.486 5.056 660 1HB ASP 86 1HB ASP 86 -14.508 -8.579 6.291 661 2HB ASP 86 2HB ASP 86 -14.729 -7.444 4.974 662 H LYS 87 H LYS 87 -13.316 -6.069 4.094 663 HA LYS 87 HA LYS 87 -12.639 -6.769 1.333 664 1HB LYS 87 1HB LYS 87 -14.931 -5.797 2.015 665 2HB LYS 87 2HB LYS 87 -14.086 -4.279 2.238 666 1HG LYS 87 1HG LYS 87 -13.132 -5.148 -0.244 667 2HG LYS 87 2HG LYS 87 -14.802 -5.680 -0.269 668 1HD LYS 87 1HD LYS 87 -15.613 -3.423 0.175 669 2HD LYS 87 2HD LYS 87 -13.993 -2.843 0.509 670 1HE LYS 87 1HE LYS 87 -13.498 -3.715 -1.969 671 2HE LYS 87 2HE LYS 87 -15.235 -3.570 -2.153 672 1HZ LYS 87 1HZ LYS 87 -14.458 -1.277 -0.911 673 2HZ LYS 87 2HZ LYS 87 -13.298 -1.532 -2.032 674 3HZ LYS 87 3HZ LYS 87 -14.865 -1.437 -2.485 675 H VAL 88 H VAL 88 -10.385 -6.644 1.350 676 HA VAL 88 HA VAL 88 -9.245 -4.186 0.930 677 HB VAL 88 HB VAL 88 -9.749 -4.559 3.665 678 1HG1 VAL 88 1HG1 VAL 88 -7.727 -6.076 3.621 679 2HG1 VAL 88 2HG1 VAL 88 -6.758 -4.651 3.179 680 3HG1 VAL 88 3HG1 VAL 88 -7.618 -4.694 4.737 681 1HG2 VAL 88 1HG2 VAL 88 -9.349 -2.474 2.095 682 2HG2 VAL 88 2HG2 VAL 88 -9.038 -2.372 3.844 683 3HG2 VAL 88 3HG2 VAL 88 -7.684 -2.601 2.712 684 H GLU 89 H GLU 89 -8.952 -7.521 2.178 685 HA GLU 89 HA GLU 89 -6.240 -7.727 1.370 686 1HB GLU 89 1HB GLU 89 -6.459 -10.085 2.030 687 2HB GLU 89 2HB GLU 89 -7.164 -9.049 3.255 688 1HG GLU 89 1HG GLU 89 -9.231 -9.956 2.970 689 2HG GLU 89 2HG GLU 89 -9.162 -9.750 1.231 690 H ASP 90 H ASP 90 -9.249 -7.738 -0.261 691 HA ASP 90 HA ASP 90 -8.264 -9.513 -2.324 692 1HB ASP 90 1HB ASP 90 -10.951 -8.191 -1.772 693 2HB ASP 90 2HB ASP 90 -10.625 -8.983 -3.301 694 H GLU 91 H GLU 91 -9.585 -6.171 -1.770 695 HA GLU 91 HA GLU 91 -9.351 -5.255 -4.338 696 1HB GLU 91 1HB GLU 91 -9.256 -3.898 -1.631 697 2HB GLU 91 2HB GLU 91 -9.048 -2.955 -3.093 698 1HG GLU 91 1HG GLU 91 -11.352 -4.867 -3.108 699 2HG GLU 91 2HG GLU 91 -11.489 -3.527 -1.987 700 H PHE 92 H PHE 92 -6.895 -5.673 -1.788 701 HA PHE 92 HA PHE 92 -4.920 -4.059 -2.958 702 1HB PHE 92 1HB PHE 92 -5.357 -5.890 -0.738 703 2HB PHE 92 2HB PHE 92 -3.876 -6.386 -1.532 704 HD1 PHE 92 HD1 PHE 92 -2.675 -3.865 -2.364 705 HD2 PHE 92 HD2 PHE 92 -4.750 -4.812 1.215 706 HE1 PHE 92 HE1 PHE 92 -1.421 -2.056 -1.158 707 HE2 PHE 92 HE2 PHE 92 -3.496 -3.003 2.421 708 HZ PHE 92 HZ PHE 92 -1.847 -1.646 1.220 709 H THR 93 H THR 93 -6.104 -7.323 -3.632 710 HA THR 93 HA THR 93 -3.736 -7.959 -5.204 711 HB THR 93 HB THR 93 -6.181 -9.408 -4.151 712 HG1 THR 93 HG1 THR 93 -3.267 -9.667 -4.327 713 1HG2 THR 93 1HG2 THR 93 -4.648 -10.038 -6.655 714 2HG2 THR 93 2HG2 THR 93 -4.837 -11.376 -5.497 715 3HG2 THR 93 3HG2 THR 93 -6.275 -10.567 -6.164 716 H LYS 94 H LYS 94 -7.133 -6.950 -5.598 717 HA LYS 94 HA LYS 94 -7.158 -7.468 -8.392 718 1HB LYS 94 1HB LYS 94 -8.988 -5.560 -6.937 719 2HB LYS 94 2HB LYS 94 -9.317 -6.518 -8.366 720 1HG LYS 94 1HG LYS 94 -8.558 -8.427 -6.431 721 2HG LYS 94 2HG LYS 94 -9.522 -7.275 -5.530 722 1HD LYS 94 1HD LYS 94 -11.441 -8.034 -6.475 723 2HD LYS 94 2HD LYS 94 -10.803 -7.799 -8.090 724 1HE LYS 94 1HE LYS 94 -9.408 -10.059 -7.209 725 2HE LYS 94 2HE LYS 94 -10.990 -10.282 -6.487 726 1HZ LYS 94 1HZ LYS 94 -11.833 -9.692 -8.798 727 2HZ LYS 94 2HZ LYS 94 -10.319 -10.019 -9.314 728 3HZ LYS 94 3HZ LYS 94 -11.198 -11.179 -8.573 729 H HIS 95 H HIS 95 -6.118 -4.910 -6.296 730 HA HIS 95 HA HIS 95 -6.050 -2.780 -8.244 731 1HB HIS 95 1HB HIS 95 -6.120 -2.611 -5.706 732 2HB HIS 95 2HB HIS 95 -4.368 -3.089 -5.702 733 HD1 HIS 95 HD1 HIS 95 -5.049 -0.935 -8.495 734 HD2 HIS 95 HD2 HIS 95 -4.235 -0.391 -4.432 735 HE1 HIS 95 HE1 HIS 95 -4.298 1.517 -8.235 736 H CYS 96 H CYS 96 -3.429 -4.820 -6.818 737 HA CYS 96 HA CYS 96 -1.347 -3.945 -8.487 738 1HB CYS 96 1HB CYS 96 -1.923 -6.426 -6.885 739 2HB CYS 96 2HB CYS 96 -0.528 -6.418 -7.991 740 H ASN 97 H ASN 97 -4.120 -6.050 -9.188 741 HA ASN 97 HA ASN 97 -2.841 -7.239 -11.423 742 1HB ASN 97 1HB ASN 97 -5.407 -7.450 -10.001 743 2HB ASN 97 2HB ASN 97 -5.664 -7.445 -11.734 744 1HD2 ASN 97 2HD2 ASN 97 -4.923 -9.285 -9.066 745 2HD2 ASN 97 1HD2 ASN 97 -4.304 -10.715 -9.823 746 H ASP 98 H ASP 98 -4.287 -4.196 -10.686 747 HA ASP 98 HA ASP 98 -4.828 -3.741 -13.515 748 1HB ASP 98 1HB ASP 98 -6.177 -2.852 -10.996 749 2HB ASP 98 2HB ASP 98 -6.030 -1.624 -12.238 750 H ILE 99 H ILE 99 -2.489 -3.401 -11.234 751 HA ILE 99 HA ILE 99 -1.751 -0.704 -12.139 752 HB ILE 99 HB ILE 99 -1.251 -2.034 -9.475 753 1HG1 ILE 99 1HG1 ILE 99 -3.540 -1.086 -9.889 754 2HG1 ILE 99 2HG1 ILE 99 -2.677 -0.390 -8.532 755 1HG2 ILE 99 1HG2 ILE 99 0.476 -0.313 -10.763 756 2HG2 ILE 99 2HG2 ILE 99 -0.491 0.779 -9.743 757 3HG2 ILE 99 3HG2 ILE 99 0.382 -0.587 -9.007 758 1HD1 ILE 99 1HD1 ILE 99 -2.108 1.038 -11.046 759 2HD1 ILE 99 2HD1 ILE 99 -3.839 1.038 -10.632 760 3HD1 ILE 99 3HD1 ILE 99 -2.648 1.679 -9.475 761 H LEU 100 H LEU 100 -0.543 -3.939 -11.042 762 HA LEU 100 HA LEU 100 1.902 -3.408 -12.557 763 1HB LEU 100 1HB LEU 100 1.210 -5.371 -10.377 764 2HB LEU 100 2HB LEU 100 2.675 -5.497 -11.331 765 HG LEU 100 HG LEU 100 1.891 -3.210 -9.506 766 1HD1 LEU 100 1HD1 LEU 100 2.894 -5.574 -8.740 767 2HD1 LEU 100 2HD1 LEU 100 4.413 -4.742 -9.151 768 3HD1 LEU 100 3HD1 LEU 100 3.310 -4.036 -7.945 769 1HD2 LEU 100 1HD2 LEU 100 4.256 -3.486 -11.373 770 2HD2 LEU 100 2HD2 LEU 100 3.007 -2.218 -11.363 771 3HD2 LEU 100 3HD2 LEU 100 4.181 -2.322 -10.028 772 H GLY 101 H GLY 101 -1.086 -5.269 -12.490 773 1HA GLY 101 1HA GLY 101 -0.275 -6.522 -15.030 774 2HA GLY 101 2HA GLY 101 -1.913 -6.179 -14.509 775 H ALA 102 H ALA 102 -0.715 -7.179 -11.668 776 HA ALA 102 HA ALA 102 -1.876 -9.745 -11.867 777 1HB ALA 102 1HB ALA 102 0.282 -10.204 -13.023 778 2HB ALA 102 2HB ALA 102 0.127 -11.102 -11.494 779 3HB ALA 102 3HB ALA 102 1.154 -9.651 -11.573 780 H ASP 103 H ASP 103 -0.926 -11.004 -9.648 781 HA ASP 103 HA ASP 103 -1.731 -9.154 -7.631 782 1HB ASP 103 1HB ASP 103 -2.374 -11.667 -7.856 783 2HB ASP 103 2HB ASP 103 -0.775 -12.018 -7.233 784 H CYS 104 H CYS 104 -0.345 -8.115 -6.277 785 HA CYS 104 HA CYS 104 2.479 -8.185 -6.662 786 1HB CYS 104 1HB CYS 104 0.642 -6.984 -4.570 787 2HB CYS 104 2HB CYS 104 2.414 -6.824 -4.469 788 H SER 105 H SER 105 4.136 -8.747 -4.928 789 HA SER 105 HA SER 105 3.689 -11.371 -4.104 790 1HB SER 105 1HB SER 105 5.929 -10.434 -4.637 791 2HB SER 105 2HB SER 105 5.834 -9.379 -3.241 792 HG SER 105 HG SER 105 6.230 -12.204 -3.359 793 HA PRO 106 HA PRO 106 1.614 -10.965 -0.255 794 1HB PRO 106 1HB PRO 106 2.803 -13.101 1.088 795 2HB PRO 106 2HB PRO 106 1.539 -13.267 -0.173 796 1HG PRO 106 1HG PRO 106 4.675 -13.663 -0.690 797 2HG PRO 106 2HG PRO 106 3.137 -14.530 -1.005 798 1HD PRO 106 1HD PRO 106 4.318 -12.697 -2.760 799 2HD PRO 106 2HD PRO 106 2.559 -13.019 -2.701 800 H SER 107 H SER 107 5.147 -10.826 -0.581 801 HA SER 107 HA SER 107 5.424 -10.024 2.164 802 1HB SER 107 1HB SER 107 7.809 -10.007 1.727 803 2HB SER 107 2HB SER 107 7.137 -11.457 1.008 804 HG SER 107 HG SER 107 8.396 -9.290 -0.209 805 H GLU 108 H GLU 108 5.633 -8.653 -1.169 806 HA GLU 108 HA GLU 108 6.535 -6.154 -0.446 807 1HB GLU 108 1HB GLU 108 4.694 -6.898 -2.763 808 2HB GLU 108 2HB GLU 108 5.643 -5.429 -2.651 809 1HG GLU 108 1HG GLU 108 7.099 -8.048 -2.332 810 2HG GLU 108 2HG GLU 108 6.543 -7.626 -3.939 811 H LYS 109 H LYS 109 3.535 -7.700 0.237 812 HA LYS 109 HA LYS 109 1.972 -5.288 0.289 813 1HB LYS 109 1HB LYS 109 1.178 -7.693 -0.223 814 2HB LYS 109 2HB LYS 109 1.216 -7.943 1.510 815 1HG LYS 109 1HG LYS 109 -0.930 -7.131 1.413 816 2HG LYS 109 2HG LYS 109 -0.131 -5.572 1.447 817 1HD LYS 109 1HD LYS 109 -1.680 -5.496 -0.397 818 2HD LYS 109 2HD LYS 109 -0.082 -5.624 -1.104 819 1HE LYS 109 1HE LYS 109 -0.533 -8.231 -1.044 820 2HE LYS 109 2HE LYS 109 -2.215 -7.770 -0.867 821 1HZ LYS 109 1HZ LYS 109 -0.497 -6.743 -3.013 822 2HZ LYS 109 2HZ LYS 109 -1.449 -8.059 -3.178 823 3HZ LYS 109 3HZ LYS 109 -2.119 -6.597 -2.892 824 H ALA 110 H ALA 110 2.942 -7.696 2.839 825 HA ALA 110 HA ALA 110 2.287 -6.113 4.990 826 1HB ALA 110 1HB ALA 110 3.644 -8.587 4.450 827 2HB ALA 110 2HB ALA 110 2.894 -8.039 5.969 828 3HB ALA 110 3HB ALA 110 4.601 -7.665 5.634 829 H ASN 111 H ASN 111 4.864 -5.768 2.662 830 HA ASN 111 HA ASN 111 6.636 -4.396 4.357 831 1HB ASN 111 1HB ASN 111 7.138 -5.531 2.078 832 2HB ASN 111 2HB ASN 111 6.418 -4.125 1.319 833 1HD2 ASN 111 2HD2 ASN 111 7.251 -1.978 2.120 834 2HD2 ASN 111 1HD2 ASN 111 8.961 -1.811 2.340 835 H PHE 112 H PHE 112 3.935 -3.550 2.139 836 HA PHE 112 HA PHE 112 4.425 -0.737 2.312 837 1HB PHE 112 1HB PHE 112 3.364 -1.977 0.359 838 2HB PHE 112 2HB PHE 112 2.033 -2.447 1.397 839 HD1 PHE 112 HD1 PHE 112 0.096 -1.291 0.983 840 HD2 PHE 112 HD2 PHE 112 3.790 0.761 0.601 841 HE1 PHE 112 HE1 PHE 112 -1.134 0.806 0.357 842 HE2 PHE 112 HE2 PHE 112 2.561 2.858 -0.025 843 HZ PHE 112 HZ PHE 112 0.114 2.855 -0.139 844 H ILE 113 H ILE 113 2.079 -3.105 3.719 845 HA ILE 113 HA ILE 113 0.451 -1.283 5.003 846 HB ILE 113 HB ILE 113 1.171 -4.152 5.423 847 1HG1 ILE 113 1HG1 ILE 113 -1.639 -3.424 5.187 848 2HG1 ILE 113 2HG1 ILE 113 -0.696 -2.769 3.864 849 1HG2 ILE 113 1HG2 ILE 113 -0.516 -2.478 7.297 850 2HG2 ILE 113 2HG2 ILE 113 -0.567 -4.256 7.223 851 3HG2 ILE 113 3HG2 ILE 113 0.938 -3.427 7.687 852 1HD1 ILE 113 1HD1 ILE 113 -0.635 -5.685 4.768 853 2HD1 ILE 113 2HD1 ILE 113 -1.526 -5.062 3.359 854 3HD1 ILE 113 3HD1 ILE 113 0.252 -5.004 3.384 855 H ALA 114 H ALA 114 3.566 -2.777 6.036 856 HA ALA 114 HA ALA 114 3.556 -1.753 8.628 857 1HB ALA 114 1HB ALA 114 5.287 -3.192 8.557 858 2HB ALA 114 2HB ALA 114 6.228 -1.894 7.784 859 3HB ALA 114 3HB ALA 114 5.379 -3.095 6.782 860 H TYR 115 H TYR 115 5.561 -0.620 5.881 861 HA TYR 115 HA TYR 115 6.495 1.744 6.818 862 1HB TYR 115 1HB TYR 115 6.362 0.554 4.378 863 2HB TYR 115 2HB TYR 115 5.282 1.934 4.114 864 HD1 TYR 115 HD1 TYR 115 8.742 0.882 4.820 865 HD2 TYR 115 HD2 TYR 115 6.122 4.218 4.143 866 HE1 TYR 115 HE1 TYR 115 10.707 2.353 4.469 867 HE2 TYR 115 HE2 TYR 115 8.087 5.690 3.792 868 HH TYR 115 HH TYR 115 10.363 5.830 3.699 869 H LEU 116 H LEU 116 3.156 1.282 5.415 870 HA LEU 116 HA LEU 116 2.412 3.950 5.718 871 1HB LEU 116 1HB LEU 116 0.925 1.354 5.483 872 2HB LEU 116 2HB LEU 116 0.062 2.851 5.775 873 HG LEU 116 HG LEU 116 1.969 2.524 3.453 874 1HD1 LEU 116 1HD1 LEU 116 -0.733 1.407 3.806 875 2HD1 LEU 116 2HD1 LEU 116 -0.507 2.357 2.318 876 3HD1 LEU 116 3HD1 LEU 116 0.558 0.972 2.660 877 1HD2 LEU 116 1HD2 LEU 116 -0.287 4.466 4.018 878 2HD2 LEU 116 2HD2 LEU 116 1.457 4.818 4.004 879 3HD2 LEU 116 3HD2 LEU 116 0.627 4.372 2.494 880 H LEU 117 H LEU 117 1.474 1.122 7.808 881 HA LEU 117 HA LEU 117 0.283 2.453 9.816 882 1HB LEU 117 1HB LEU 117 2.149 0.085 9.981 883 2HB LEU 117 2HB LEU 117 1.130 0.623 11.301 884 HG LEU 117 HG LEU 117 0.026 -0.172 8.599 885 1HD1 LEU 117 1HD1 LEU 117 1.370 -1.983 9.871 886 2HD1 LEU 117 2HD1 LEU 117 -0.009 -1.987 10.997 887 3HD1 LEU 117 3HD1 LEU 117 -0.262 -2.373 9.277 888 1HD2 LEU 117 1HD2 LEU 117 -1.214 1.250 10.499 889 2HD2 LEU 117 2HD2 LEU 117 -2.053 0.066 9.468 890 3HD2 LEU 117 3HD2 LEU 117 -1.546 -0.388 11.113 891 H THR 118 H THR 118 3.797 2.250 9.147 892 HA THR 118 HA THR 118 4.536 3.526 11.592 893 HB THR 118 HB THR 118 5.769 2.254 9.267 894 HG1 THR 118 HG1 THR 118 7.495 2.297 11.062 895 1HG2 THR 118 1HG2 THR 118 7.054 4.827 10.330 896 2HG2 THR 118 2HG2 THR 118 7.871 3.615 9.313 897 3HG2 THR 118 3HG2 THR 118 6.514 4.560 8.655 898 H GLU 119 H GLU 119 3.965 4.616 8.208 899 HA GLU 119 HA GLU 119 4.862 7.197 8.617 900 1HB GLU 119 1HB GLU 119 2.887 5.963 6.670 901 2HB GLU 119 2HB GLU 119 3.236 7.680 6.630 902 1HG GLU 119 1HG GLU 119 5.626 5.880 6.740 903 2HG GLU 119 2HG GLU 119 4.687 5.799 5.262 904 H THR 120 H THR 120 4.113 8.693 10.050 905 HA THR 120 HA THR 120 1.202 8.885 10.388 906 HB THR 120 HB THR 120 1.681 9.244 12.863 907 HG1 THR 120 HG1 THR 120 3.887 9.673 12.955 908 1HG2 THR 120 1HG2 THR 120 2.039 6.687 11.395 909 2HG2 THR 120 2HG2 THR 120 2.860 6.716 12.974 910 3HG2 THR 120 3HG2 THR 120 1.108 7.015 12.877 911 H LYS 121 H LYS 121 2.875 10.369 8.589 912 HA LYS 121 HA LYS 121 2.057 12.941 9.271 913 1HB LYS 121 1HB LYS 121 4.179 14.049 9.735 914 2HB LYS 121 2HB LYS 121 3.807 12.864 10.971 915 1HG LYS 121 1HG LYS 121 5.243 11.342 9.137 916 2HG LYS 121 2HG LYS 121 6.029 12.902 9.002 917 1HD LYS 121 1HD LYS 121 5.492 12.166 11.810 918 2HD LYS 121 2HD LYS 121 6.493 10.980 10.996 919 1HE LYS 121 1HE LYS 121 7.910 12.997 10.153 920 2HE LYS 121 2HE LYS 121 7.041 13.957 11.334 921 1HZ LYS 121 1HZ LYS 121 8.367 11.465 12.101 922 2HZ LYS 121 2HZ LYS 121 9.184 12.878 12.050 923 3HZ LYS 121 3HZ LYS 121 7.911 12.707 13.059 924 HA PRO 122 HA PRO 122 2.516 13.342 4.962 925 1HB PRO 122 1HB PRO 122 2.972 16.072 4.774 926 2HB PRO 122 2HB PRO 122 1.380 15.345 5.167 927 1HG PRO 122 1HG PRO 122 3.522 16.360 7.052 928 2HG PRO 122 2HG PRO 122 1.793 16.831 7.136 929 1HD PRO 122 1HD PRO 122 2.669 14.883 8.736 930 2HD PRO 122 2HD PRO 122 1.171 14.586 7.804 931 H THR 123 H THR 123 4.149 14.108 3.233 932 HA THR 123 HA THR 123 6.689 13.198 3.857 933 HB THR 123 HB THR 123 5.439 13.560 1.579 934 HG1 THR 123 HG1 THR 123 8.211 14.288 2.199 935 1HG2 THR 123 1HG2 THR 123 5.389 16.175 2.080 936 2HG2 THR 123 2HG2 THR 123 7.085 16.110 1.546 937 3HG2 THR 123 3HG2 THR 123 5.784 15.607 0.440 938 H LYS 124 H LYS 124 5.268 16.444 4.189 939 HA LYS 124 HA LYS 124 7.764 17.739 4.544 940 1HB LYS 124 1HB LYS 124 6.482 19.665 5.059 941 2HB LYS 124 2HB LYS 124 5.613 18.811 3.800 942 1HG LYS 124 1HG LYS 124 3.967 17.980 5.326 943 2HG LYS 124 2HG LYS 124 4.969 18.306 6.726 944 1HD LYS 124 1HD LYS 124 4.189 20.638 4.977 945 2HD LYS 124 2HD LYS 124 2.958 19.947 6.016 946 1HE LYS 124 1HE LYS 124 3.809 21.243 7.681 947 2HE LYS 124 2HE LYS 124 5.163 20.132 7.728 948 1HZ LYS 124 1HZ LYS 124 5.096 22.381 5.855 949 2HZ LYS 124 2HZ LYS 124 5.679 22.542 7.372 950 3HZ LYS 124 3HZ LYS 124 6.389 21.504 6.330 No H/Q in entry = 950 Start of MODEL 7 1 H1 ASP 1 H1 ASP 1 -8.051 -1.734 11.099 2 H2 ASP 1 H2 ASP 1 -9.373 -0.742 10.991 3 H3 ASP 1 H3 ASP 1 -7.899 -0.219 10.448 4 HA ASP 1 HA ASP 1 -8.214 0.841 12.378 5 1HB ASP 1 1HB ASP 1 -9.972 -1.061 13.044 6 2HB ASP 1 2HB ASP 1 -8.604 -1.747 13.898 7 H VAL 2 H VAL 2 -7.016 -0.144 14.832 8 HA VAL 2 HA VAL 2 -4.311 -0.413 13.951 9 HB VAL 2 HB VAL 2 -5.657 -0.327 16.653 10 1HG1 VAL 2 1HG1 VAL 2 -3.138 -1.432 16.114 11 2HG1 VAL 2 2HG1 VAL 2 -2.802 0.215 16.701 12 3HG1 VAL 2 3HG1 VAL 2 -3.766 -0.905 17.694 13 1HG2 VAL 2 1HG2 VAL 2 -4.457 1.669 14.807 14 2HG2 VAL 2 2HG2 VAL 2 -5.779 1.841 15.986 15 3HG2 VAL 2 3HG2 VAL 2 -4.086 1.867 16.536 16 H THR 3 H THR 3 -6.592 -2.454 15.912 17 HA THR 3 HA THR 3 -4.882 -4.646 16.124 18 HB THR 3 HB THR 3 -7.936 -4.398 16.117 19 HG1 THR 3 HG1 THR 3 -7.237 -3.358 17.956 20 1HG2 THR 3 1HG2 THR 3 -6.037 -6.635 16.951 21 2HG2 THR 3 2HG2 THR 3 -7.620 -6.425 17.739 22 3HG2 THR 3 3HG2 THR 3 -7.532 -6.762 15.993 23 H ASN 4 H ASN 4 -6.915 -3.522 13.448 24 HA ASN 4 HA ASN 4 -6.812 -6.014 12.115 25 1HB ASN 4 1HB ASN 4 -7.272 -3.378 10.682 26 2HB ASN 4 2HB ASN 4 -8.047 -4.924 10.399 27 1HD2 ASN 4 2HD2 ASN 4 -8.416 -5.436 13.270 28 2HD2 ASN 4 1HD2 ASN 4 -9.748 -4.459 13.792 29 H ALA 5 H ALA 5 -5.187 -2.775 11.843 30 HA ALA 5 HA ALA 5 -3.631 -3.314 9.615 31 1HB ALA 5 1HB ALA 5 -2.104 -1.584 11.101 32 2HB ALA 5 2HB ALA 5 -3.496 -1.099 10.103 33 3HB ALA 5 3HB ALA 5 -3.704 -1.370 11.850 34 H GLU 6 H GLU 6 -2.952 -3.802 13.141 35 HA GLU 6 HA GLU 6 -0.379 -4.767 12.727 36 1HB GLU 6 1HB GLU 6 -0.436 -5.399 15.050 37 2HB GLU 6 2HB GLU 6 -1.364 -3.919 14.904 38 1HG GLU 6 1HG GLU 6 -3.481 -5.216 14.868 39 2HG GLU 6 2HG GLU 6 -2.584 -6.721 14.922 40 H LYS 7 H LYS 7 -3.604 -6.300 12.685 41 HA LYS 7 HA LYS 7 -2.713 -8.956 12.847 42 1HB LYS 7 1HB LYS 7 -5.010 -8.312 13.315 43 2HB LYS 7 2HB LYS 7 -5.233 -7.748 11.672 44 1HG LYS 7 1HG LYS 7 -6.001 -9.851 11.235 45 2HG LYS 7 2HG LYS 7 -4.314 -10.326 11.237 46 1HD LYS 7 1HD LYS 7 -4.518 -11.469 13.204 47 2HD LYS 7 2HD LYS 7 -5.417 -10.174 13.968 48 1HE LYS 7 1HE LYS 7 -7.003 -11.927 13.875 49 2HE LYS 7 2HE LYS 7 -7.429 -10.947 12.486 50 1HZ LYS 7 1HZ LYS 7 -5.480 -13.053 12.091 51 2HZ LYS 7 2HZ LYS 7 -7.041 -13.494 12.281 52 3HZ LYS 7 3HZ LYS 7 -6.619 -12.487 11.067 53 H LEU 8 H LEU 8 -3.452 -6.787 10.041 54 HA LEU 8 HA LEU 8 -3.000 -8.612 8.038 55 1HB LEU 8 1HB LEU 8 -2.603 -5.632 8.202 56 2HB LEU 8 2HB LEU 8 -2.324 -6.526 6.721 57 HG LEU 8 HG LEU 8 -4.903 -6.004 8.168 58 1HD1 LEU 8 1HD1 LEU 8 -3.639 -5.076 5.788 59 2HD1 LEU 8 2HD1 LEU 8 -5.111 -5.965 5.328 60 3HD1 LEU 8 3HD1 LEU 8 -5.213 -4.609 6.476 61 1HD2 LEU 8 1HD2 LEU 8 -4.253 -8.409 6.500 62 2HD2 LEU 8 2HD2 LEU 8 -5.249 -8.271 7.969 63 3HD2 LEU 8 3HD2 LEU 8 -5.875 -7.682 6.410 64 H VAL 9 H VAL 9 -0.629 -6.441 9.712 65 HA VAL 9 HA VAL 9 1.592 -7.205 8.252 66 HB VAL 9 HB VAL 9 1.382 -6.391 11.158 67 1HG1 VAL 9 1HG1 VAL 9 3.678 -6.858 9.334 68 2HG1 VAL 9 2HG1 VAL 9 3.741 -5.371 10.310 69 3HG1 VAL 9 3HG1 VAL 9 3.580 -6.953 11.108 70 1HG2 VAL 9 1HG2 VAL 9 0.460 -4.944 9.063 71 2HG2 VAL 9 2HG2 VAL 9 1.160 -4.223 10.532 72 3HG2 VAL 9 3HG2 VAL 9 2.163 -4.425 9.075 73 H TYR 10 H TYR 10 0.405 -8.449 11.399 74 HA TYR 10 HA TYR 10 2.296 -10.570 11.586 75 1HB TYR 10 1HB TYR 10 0.854 -9.542 13.414 76 2HB TYR 10 2HB TYR 10 -0.493 -10.496 12.769 77 HD1 TYR 10 HD1 TYR 10 -0.555 -12.919 13.015 78 HD2 TYR 10 HD2 TYR 10 2.718 -10.612 14.568 79 HE1 TYR 10 HE1 TYR 10 0.175 -14.866 14.368 80 HE2 TYR 10 HE2 TYR 10 3.448 -12.558 15.921 81 HH TYR 10 HH TYR 10 3.023 -14.718 16.526 82 H LYS 11 H LYS 11 -0.344 -10.122 9.410 83 HA LYS 11 HA LYS 11 -0.782 -12.995 9.193 84 1HB LYS 11 1HB LYS 11 -2.671 -11.270 9.276 85 2HB LYS 11 2HB LYS 11 -2.186 -10.800 7.660 86 1HG LYS 11 1HG LYS 11 -3.904 -12.446 7.358 87 2HG LYS 11 2HG LYS 11 -2.401 -13.265 6.982 88 1HD LYS 11 1HD LYS 11 -2.348 -14.356 9.154 89 2HD LYS 11 2HD LYS 11 -3.651 -13.354 9.762 90 1HE LYS 11 1HE LYS 11 -5.300 -14.525 8.588 91 2HE LYS 11 2HE LYS 11 -4.214 -14.976 7.289 92 1HZ LYS 11 1HZ LYS 11 -3.740 -16.045 9.953 93 2HZ LYS 11 2HZ LYS 11 -4.919 -16.702 9.034 94 3HZ LYS 11 3HZ LYS 11 -3.376 -16.697 8.501 95 H TYR 12 H TYR 12 -0.481 -10.345 6.809 96 HA TYR 12 HA TYR 12 0.454 -11.842 4.676 97 1HB TYR 12 1HB TYR 12 1.041 -8.996 5.531 98 2HB TYR 12 2HB TYR 12 1.581 -9.661 3.981 99 HD1 TYR 12 HD1 TYR 12 -0.141 -10.483 2.326 100 HD2 TYR 12 HD2 TYR 12 -1.186 -8.247 5.841 101 HE1 TYR 12 HE1 TYR 12 -2.345 -9.940 1.326 102 HE2 TYR 12 HE2 TYR 12 -3.390 -7.704 4.841 103 HH TYR 12 HH TYR 12 -4.943 -8.542 3.099 104 H THR 13 H THR 13 2.175 -10.954 7.649 105 HA THR 13 HA THR 13 4.771 -11.395 6.496 106 HB THR 13 HB THR 13 3.740 -11.085 9.366 107 HG1 THR 13 HG1 THR 13 5.063 -9.412 7.347 108 1HG2 THR 13 1HG2 THR 13 6.311 -11.955 8.478 109 2HG2 THR 13 2HG2 THR 13 6.480 -10.220 8.839 110 3HG2 THR 13 3HG2 THR 13 5.891 -11.336 10.094 111 H ASN 14 H ASN 14 2.630 -13.217 8.786 112 HA ASN 14 HA ASN 14 4.295 -15.351 9.092 113 1HB ASN 14 1HB ASN 14 1.658 -14.665 9.825 114 2HB ASN 14 2HB ASN 14 1.445 -16.127 8.883 115 1HD2 ASN 14 2HD2 ASN 14 0.798 -17.245 10.725 116 2HD2 ASN 14 1HD2 ASN 14 1.915 -17.806 11.924 117 H ILE 15 H ILE 15 1.490 -14.937 6.793 118 HA ILE 15 HA ILE 15 1.659 -17.299 5.457 119 HB ILE 15 HB ILE 15 0.747 -14.552 4.773 120 1HG1 ILE 15 1HG1 ILE 15 -0.906 -16.990 4.371 121 2HG1 ILE 15 2HG1 ILE 15 -0.436 -16.637 6.021 122 1HG2 ILE 15 1HG2 ILE 15 1.469 -16.631 2.778 123 2HG2 ILE 15 2HG2 ILE 15 -0.099 -15.817 2.565 124 3HG2 ILE 15 3HG2 ILE 15 1.400 -14.859 2.626 125 1HD1 ILE 15 1HD1 ILE 15 -1.214 -14.142 4.859 126 2HD1 ILE 15 2HD1 ILE 15 -2.452 -15.338 4.406 127 3HD1 ILE 15 3HD1 ILE 15 -2.061 -15.068 6.122 128 H ALA 16 H ALA 16 3.479 -14.243 4.758 129 HA ALA 16 HA ALA 16 4.865 -15.234 2.559 130 1HB ALA 16 1HB ALA 16 4.603 -12.828 3.445 131 2HB ALA 16 2HB ALA 16 5.945 -13.216 4.547 132 3HB ALA 16 3HB ALA 16 6.193 -13.281 2.786 133 H HIS 17 H HIS 17 5.664 -15.218 6.090 134 HA HIS 17 HA HIS 17 8.179 -16.384 5.774 135 1HB HIS 17 1HB HIS 17 7.298 -15.154 7.781 136 2HB HIS 17 2HB HIS 17 6.334 -16.565 8.170 137 HD1 HIS 17 HD1 HIS 17 10.045 -15.832 7.475 138 HD2 HIS 17 HD2 HIS 17 7.610 -18.240 9.898 139 HE1 HIS 17 HE1 HIS 17 11.620 -17.125 9.010 140 H SER 18 H SER 18 4.880 -17.698 5.850 141 HA SER 18 HA SER 18 5.686 -20.343 6.353 142 1HB SER 18 1HB SER 18 3.401 -19.601 6.820 143 2HB SER 18 2HB SER 18 3.147 -19.173 5.139 144 HG SER 18 HG SER 18 2.644 -21.527 6.296 145 H ALA 19 H ALA 19 5.821 -18.248 3.589 146 HA ALA 19 HA ALA 19 5.936 -20.522 1.751 147 1HB ALA 19 1HB ALA 19 4.435 -18.687 1.133 148 2HB ALA 19 2HB ALA 19 5.811 -18.752 0.006 149 3HB ALA 19 3HB ALA 19 5.768 -17.517 1.286 150 H ASN 20 H ASN 20 7.854 -18.132 3.477 151 HA ASN 20 HA ASN 20 10.195 -19.321 2.283 152 1HB ASN 20 1HB ASN 20 9.295 -16.755 1.493 153 2HB ASN 20 2HB ASN 20 10.549 -16.414 2.668 154 1HD2 ASN 20 2HD2 ASN 20 12.389 -18.278 2.401 155 2HD2 ASN 20 1HD2 ASN 20 13.084 -18.324 0.815 156 HA PRO 21 HA PRO 21 10.908 -18.993 6.726 157 1HB PRO 21 1HB PRO 21 12.896 -20.832 6.869 158 2HB PRO 21 2HB PRO 21 11.207 -21.315 6.507 159 1HG PRO 21 1HG PRO 21 13.402 -20.737 4.729 160 2HG PRO 21 2HG PRO 21 12.439 -22.235 4.514 161 1HD PRO 21 1HD PRO 21 11.976 -20.088 2.945 162 2HD PRO 21 2HD PRO 21 10.587 -20.984 3.631 163 H MET 22 H MET 22 11.877 -16.859 4.998 164 HA MET 22 HA MET 22 14.389 -16.433 6.353 165 1HB MET 22 1HB MET 22 15.540 -15.773 4.274 166 2HB MET 22 2HB MET 22 14.907 -17.393 4.058 167 1HG MET 22 1HG MET 22 12.884 -16.422 2.903 168 2HG MET 22 2HG MET 22 13.578 -14.822 3.072 169 1HE MET 22 1HE MET 22 13.634 -14.118 0.951 170 2HE MET 22 2HE MET 22 15.387 -13.861 1.120 171 3HE MET 22 3HE MET 22 14.736 -14.619 -0.353 172 H TYR 23 H TYR 23 11.741 -15.437 6.745 173 HA TYR 23 HA TYR 23 12.294 -12.569 6.529 174 1HB TYR 23 1HB TYR 23 11.170 -13.107 4.395 175 2HB TYR 23 2HB TYR 23 9.819 -13.821 5.291 176 HD1 TYR 23 HD1 TYR 23 7.942 -12.512 5.604 177 HD2 TYR 23 HD2 TYR 23 11.768 -10.603 5.195 178 HE1 TYR 23 HE1 TYR 23 6.847 -10.290 5.726 179 HE2 TYR 23 HE2 TYR 23 10.673 -8.382 5.318 180 HH TYR 23 HH TYR 23 7.880 -7.606 4.734 181 H GLU 24 H GLU 24 12.052 -11.989 8.675 182 HA GLU 24 HA GLU 24 10.057 -13.423 10.183 183 1HB GLU 24 1HB GLU 24 12.338 -11.562 10.900 184 2HB GLU 24 2HB GLU 24 11.095 -11.926 12.080 185 1HG GLU 24 1HG GLU 24 12.175 -14.312 10.659 186 2HG GLU 24 2HG GLU 24 13.351 -13.466 11.644 187 H ALA 25 H ALA 25 10.948 -10.028 9.280 188 HA ALA 25 HA ALA 25 8.222 -9.288 9.084 189 1HB ALA 25 1HB ALA 25 9.131 -7.460 11.067 190 2HB ALA 25 2HB ALA 25 9.452 -9.097 11.688 191 3HB ALA 25 3HB ALA 25 7.805 -8.641 11.193 192 HA PRO 26 HA PRO 26 9.983 -6.002 6.771 193 1HB PRO 26 1HB PRO 26 8.260 -3.928 7.982 194 2HB PRO 26 2HB PRO 26 8.153 -4.722 6.377 195 1HG PRO 26 1HG PRO 26 6.190 -5.287 8.406 196 2HG PRO 26 2HG PRO 26 6.759 -6.347 7.075 197 1HD PRO 26 1HD PRO 26 7.768 -6.131 9.969 198 2HD PRO 26 2HD PRO 26 7.260 -7.598 9.079 199 H SER 27 H SER 27 10.491 -3.303 7.192 200 HA SER 27 HA SER 27 11.659 -3.028 9.790 201 1HB SER 27 1HB SER 27 13.271 -4.180 7.891 202 2HB SER 27 2HB SER 27 13.621 -2.486 7.607 203 HG SER 27 HG SER 27 13.597 -2.999 10.314 204 H ILE 28 H ILE 28 9.584 -1.801 7.911 205 HA ILE 28 HA ILE 28 8.992 0.170 7.047 206 HB ILE 28 HB ILE 28 9.269 2.047 8.635 207 1HG1 ILE 28 1HG1 ILE 28 10.830 0.110 10.361 208 2HG1 ILE 28 2HG1 ILE 28 11.592 1.337 9.369 209 1HG2 ILE 28 1HG2 ILE 28 8.288 -0.653 9.518 210 2HG2 ILE 28 2HG2 ILE 28 8.196 0.747 10.613 211 3HG2 ILE 28 3HG2 ILE 28 7.366 0.792 9.040 212 1HD1 ILE 28 1HD1 ILE 28 9.519 2.694 10.757 213 2HD1 ILE 28 2HD1 ILE 28 10.289 1.627 11.955 214 3HD1 ILE 28 3HD1 ILE 28 11.269 2.810 11.057 215 H THR 29 H THR 29 11.424 -0.861 5.894 216 HA THR 29 HA THR 29 12.583 1.691 5.057 217 HB THR 29 HB THR 29 14.038 -0.722 6.223 218 HG1 THR 29 HG1 THR 29 15.078 1.324 7.201 219 1HG2 THR 29 1HG2 THR 29 15.066 1.464 4.355 220 2HG2 THR 29 2HG2 THR 29 16.130 0.661 5.535 221 3HG2 THR 29 3HG2 THR 29 15.353 -0.289 4.246 222 H ASP 30 H ASP 30 10.707 -0.717 4.159 223 HA ASP 30 HA ASP 30 12.145 -1.132 1.658 224 1HB ASP 30 1HB ASP 30 10.876 -2.970 3.406 225 2HB ASP 30 2HB ASP 30 9.772 -2.815 2.054 226 H GLY 31 H GLY 31 9.133 -0.141 3.316 227 1HA GLY 31 1HA GLY 31 7.173 0.703 2.558 228 2HA GLY 31 2HA GLY 31 7.553 0.141 0.943 229 H LYS 32 H LYS 32 9.781 1.403 0.111 230 HA LYS 32 HA LYS 32 8.947 4.191 0.154 231 1HB LYS 32 1HB LYS 32 11.469 4.771 0.335 232 2HB LYS 32 2HB LYS 32 10.560 4.428 1.792 233 1HG LYS 32 1HG LYS 32 11.969 2.726 2.285 234 2HG LYS 32 2HG LYS 32 11.513 1.908 0.803 235 1HD LYS 32 1HD LYS 32 13.380 2.649 -0.354 236 2HD LYS 32 2HD LYS 32 13.427 4.188 0.482 237 1HE LYS 32 1HE LYS 32 14.100 2.742 2.593 238 2HE LYS 32 2HE LYS 32 14.489 1.503 1.416 239 1HZ LYS 32 1HZ LYS 32 15.700 3.539 0.319 240 2HZ LYS 32 2HZ LYS 32 15.770 4.047 1.870 241 3HZ LYS 32 3HZ LYS 32 16.425 2.611 1.450 242 H ILE 33 H ILE 33 11.665 2.119 -1.094 243 HA ILE 33 HA ILE 33 11.698 3.413 -3.579 244 HB ILE 33 HB ILE 33 12.892 0.949 -2.403 245 1HG1 ILE 33 1HG1 ILE 33 14.284 3.156 -3.907 246 2HG1 ILE 33 2HG1 ILE 33 13.756 3.402 -2.254 247 1HG2 ILE 33 1HG2 ILE 33 12.365 1.356 -5.277 248 2HG2 ILE 33 2HG2 ILE 33 14.049 0.957 -4.862 249 3HG2 ILE 33 3HG2 ILE 33 12.729 -0.129 -4.367 250 1HD1 ILE 33 1HD1 ILE 33 15.107 0.814 -2.559 251 2HD1 ILE 33 2HD1 ILE 33 16.143 2.168 -3.069 252 3HD1 ILE 33 3HD1 ILE 33 15.455 2.143 -1.428 253 H PHE 34 H PHE 34 10.243 0.280 -2.484 254 HA PHE 34 HA PHE 34 9.239 -0.493 -4.931 255 1HB PHE 34 1HB PHE 34 9.230 -1.984 -3.004 256 2HB PHE 34 2HB PHE 34 8.415 -0.801 -2.000 257 HD1 PHE 34 HD1 PHE 34 6.108 -0.919 -1.710 258 HD2 PHE 34 HD2 PHE 34 7.874 -2.945 -4.995 259 HE1 PHE 34 HE1 PHE 34 3.902 -1.997 -2.232 260 HE2 PHE 34 HE2 PHE 34 5.668 -4.023 -5.516 261 HZ PHE 34 HZ PHE 34 3.708 -3.536 -4.128 262 H PHE 35 H PHE 35 8.274 2.148 -2.857 263 HA PHE 35 HA PHE 35 5.729 2.342 -4.301 264 1HB PHE 35 1HB PHE 35 5.621 2.255 -1.805 265 2HB PHE 35 2HB PHE 35 6.833 3.514 -1.680 266 HD1 PHE 35 HD1 PHE 35 3.393 2.886 -2.946 267 HD2 PHE 35 HD2 PHE 35 6.188 5.751 -1.536 268 HE1 PHE 35 HE1 PHE 35 1.583 4.624 -2.892 269 HE2 PHE 35 HE2 PHE 35 4.378 7.489 -1.482 270 HZ PHE 35 HZ PHE 35 2.098 6.905 -2.161 271 H ASN 36 H ASN 36 8.819 3.308 -4.705 272 HA ASN 36 HA ASN 36 7.933 5.837 -5.809 273 1HB ASN 36 1HB ASN 36 10.420 5.396 -4.079 274 2HB ASN 36 2HB ASN 36 10.204 6.817 -5.081 275 1HD2 ASN 36 2HD2 ASN 36 10.555 7.300 -2.538 276 2HD2 ASN 36 1HD2 ASN 36 9.101 7.759 -1.714 277 H ARG 37 H ARG 37 8.618 2.990 -6.746 278 HA ARG 37 HA ARG 37 11.001 3.586 -8.289 279 1HB ARG 37 1HB ARG 37 10.818 1.427 -6.902 280 2HB ARG 37 2HB ARG 37 9.567 0.901 -8.011 281 1HG ARG 37 1HG ARG 37 11.072 0.380 -9.650 282 2HG ARG 37 2HG ARG 37 11.970 1.868 -9.426 283 1HD ARG 37 1HD ARG 37 13.524 0.860 -8.083 284 2HD ARG 37 2HD ARG 37 12.301 0.033 -7.139 285 HE ARG 37 HE ARG 37 13.814 -1.093 -9.322 286 1HH1 ARG 37 1HH1 ARG 37 13.337 -3.203 -10.059 287 2HH1 ARG 37 2HH1 ARG 37 11.811 -3.928 -9.678 288 1HH2 ARG 37 1HH2 ARG 37 10.613 -1.159 -7.861 289 2HH2 ARG 37 2HH2 ARG 37 10.251 -2.758 -8.420 290 H LYS 38 H LYS 38 10.439 4.597 -10.210 291 HA LYS 38 HA LYS 38 7.944 4.411 -11.407 292 1HB LYS 38 1HB LYS 38 9.398 6.267 -11.847 293 2HB LYS 38 2HB LYS 38 10.656 5.224 -12.479 294 1HG LYS 38 1HG LYS 38 9.710 5.830 -14.496 295 2HG LYS 38 2HG LYS 38 8.669 4.465 -14.147 296 1HD LYS 38 1HD LYS 38 7.211 6.290 -14.736 297 2HD LYS 38 2HD LYS 38 7.059 6.082 -13.003 298 1HE LYS 38 1HE LYS 38 7.301 8.491 -13.662 299 2HE LYS 38 2HE LYS 38 8.571 7.964 -12.574 300 1HZ LYS 38 1HZ LYS 38 9.222 7.550 -15.309 301 2HZ LYS 38 2HZ LYS 38 8.950 9.123 -14.965 302 3HZ LYS 38 3HZ LYS 38 10.084 8.290 -14.137 303 H PHE 39 H PHE 39 7.173 2.305 -11.647 304 HA PHE 39 HA PHE 39 8.839 0.487 -13.201 305 1HB PHE 39 1HB PHE 39 7.003 -1.130 -12.445 306 2HB PHE 39 2HB PHE 39 7.834 -0.360 -11.108 307 HD1 PHE 39 HD1 PHE 39 4.759 -0.167 -13.175 308 HD2 PHE 39 HD2 PHE 39 6.643 0.900 -9.525 309 HE1 PHE 39 HE1 PHE 39 2.562 0.650 -12.279 310 HE2 PHE 39 HE2 PHE 39 4.445 1.717 -8.629 311 HZ PHE 39 HZ PHE 39 2.431 1.582 -10.017 312 H LYS 40 H LYS 40 7.681 -0.878 -14.894 313 HA LYS 40 HA LYS 40 5.853 0.871 -16.381 314 1HB LYS 40 1HB LYS 40 8.142 0.314 -17.347 315 2HB LYS 40 2HB LYS 40 7.584 -1.338 -17.513 316 1HG LYS 40 1HG LYS 40 5.466 0.037 -18.632 317 2HG LYS 40 2HG LYS 40 6.801 1.091 -19.054 318 1HD LYS 40 1HD LYS 40 7.772 -1.515 -19.577 319 2HD LYS 40 2HD LYS 40 6.111 -1.551 -20.133 320 1HE LYS 40 1HE LYS 40 8.166 0.568 -20.929 321 2HE LYS 40 2HE LYS 40 7.713 -0.805 -21.919 322 1HZ LYS 40 1HZ LYS 40 5.366 0.390 -21.196 323 2HZ LYS 40 2HZ LYS 40 6.361 1.629 -21.575 324 3HZ LYS 40 3HZ LYS 40 6.080 0.445 -22.664 325 H THR 41 H THR 41 3.911 0.037 -17.213 326 HA THR 41 HA THR 41 3.088 -2.464 -15.928 327 HB THR 41 HB THR 41 0.852 -1.561 -16.139 328 HG1 THR 41 HG1 THR 41 0.736 0.490 -17.505 329 1HG2 THR 41 1HG2 THR 41 2.763 0.796 -15.708 330 2HG2 THR 41 2HG2 THR 41 1.029 0.798 -15.306 331 3HG2 THR 41 3HG2 THR 41 2.143 -0.280 -14.432 332 HA PRO 42 HA PRO 42 3.023 -4.875 -19.519 333 1HB PRO 42 1HB PRO 42 0.691 -6.312 -19.134 334 2HB PRO 42 2HB PRO 42 2.185 -6.566 -18.175 335 1HG PRO 42 1HG PRO 42 -0.348 -4.885 -16.968 336 2HG PRO 42 2HG PRO 42 0.798 -6.248 -16.751 337 1HD PRO 42 1HD PRO 42 1.234 -3.475 -16.121 338 2HD PRO 42 2HD PRO 42 2.477 -4.761 -16.175 339 H SER 43 H SER 43 0.710 -2.381 -18.873 340 HA SER 43 HA SER 43 -0.561 -2.864 -21.441 341 1HB SER 43 1HB SER 43 -2.417 -1.716 -20.660 342 2HB SER 43 2HB SER 43 -1.803 -2.348 -19.145 343 HG SER 43 HG SER 43 -2.176 -0.161 -18.793 344 H GLY 44 H GLY 44 2.208 -1.961 -21.292 345 1HA GLY 44 1HA GLY 44 2.409 -0.068 -23.181 346 2HA GLY 44 2HA GLY 44 3.586 -0.265 -21.897 347 H LYS 45 H LYS 45 3.226 0.950 -19.818 348 HA LYS 45 HA LYS 45 2.805 3.629 -20.288 349 1HB LYS 45 1HB LYS 45 0.480 3.264 -20.648 350 2HB LYS 45 2HB LYS 45 0.342 2.215 -19.251 351 1HG LYS 45 1HG LYS 45 0.562 4.020 -17.710 352 2HG LYS 45 2HG LYS 45 1.285 5.079 -18.904 353 1HD LYS 45 1HD LYS 45 -0.761 5.628 -19.877 354 2HD LYS 45 2HD LYS 45 -1.487 4.080 -19.494 355 1HE LYS 45 1HE LYS 45 -0.753 5.690 -17.101 356 2HE LYS 45 2HE LYS 45 -1.966 6.443 -18.118 357 1HZ LYS 45 1HZ LYS 45 -3.193 4.340 -18.028 358 2HZ LYS 45 2HZ LYS 45 -2.098 3.740 -16.975 359 3HZ LYS 45 3HZ LYS 45 -3.015 5.024 -16.556 360 H GLU 46 H GLU 46 4.497 4.129 -18.979 361 HA GLU 46 HA GLU 46 5.099 2.688 -16.688 362 1HB GLU 46 1HB GLU 46 6.722 4.503 -16.236 363 2HB GLU 46 2HB GLU 46 6.767 4.015 -17.919 364 1HG GLU 46 1HG GLU 46 4.900 6.260 -17.171 365 2HG GLU 46 2HG GLU 46 6.618 6.607 -17.185 366 H ALA 47 H ALA 47 5.018 3.377 -14.405 367 HA ALA 47 HA ALA 47 3.420 5.611 -13.673 368 1HB ALA 47 1HB ALA 47 2.199 2.936 -12.973 369 2HB ALA 47 2HB ALA 47 1.455 4.553 -12.948 370 3HB ALA 47 3HB ALA 47 1.783 3.748 -14.501 371 H ALA 48 H ALA 48 2.865 5.233 -11.115 372 HA ALA 48 HA ALA 48 4.828 3.607 -9.801 373 1HB ALA 48 1HB ALA 48 5.153 6.431 -8.999 374 2HB ALA 48 2HB ALA 48 6.380 5.170 -9.268 375 3HB ALA 48 3HB ALA 48 5.720 6.078 -10.649 376 H CYS 49 H CYS 49 4.482 3.598 -7.445 377 HA CYS 49 HA CYS 49 1.742 3.803 -6.849 378 1HB CYS 49 1HB CYS 49 4.078 3.421 -4.965 379 2HB CYS 49 2HB CYS 49 2.391 3.131 -4.591 380 H ALA 50 H ALA 50 4.250 6.105 -7.094 381 HA ALA 50 HA ALA 50 2.986 7.859 -5.109 382 1HB ALA 50 1HB ALA 50 5.294 7.649 -4.623 383 2HB ALA 50 2HB ALA 50 5.167 9.185 -5.515 384 3HB ALA 50 3HB ALA 50 5.751 7.721 -6.342 385 H SER 51 H SER 51 2.454 7.019 -8.175 386 HA SER 51 HA SER 51 2.723 9.513 -9.480 387 1HB SER 51 1HB SER 51 2.073 8.372 -11.370 388 2HB SER 51 2HB SER 51 2.510 6.989 -10.387 389 HG SER 51 HG SER 51 0.467 6.527 -11.169 390 H CYS 52 H CYS 52 0.152 7.737 -7.723 391 HA CYS 52 HA CYS 52 -1.601 10.044 -8.156 392 1HB CYS 52 1HB CYS 52 -2.457 7.242 -7.368 393 2HB CYS 52 2HB CYS 52 -3.496 8.588 -7.793 394 H HIS 53 H HIS 53 -0.309 7.629 -5.914 395 HA HIS 53 HA HIS 53 -1.428 8.980 -3.542 396 1HB HIS 53 1HB HIS 53 0.461 6.574 -3.784 397 2HB HIS 53 2HB HIS 53 -0.440 7.115 -2.303 398 HD1 HIS 53 HD1 HIS 53 -3.205 7.325 -3.114 399 HD2 HIS 53 HD2 HIS 53 -0.754 4.332 -4.697 400 HE1 HIS 53 HE1 HIS 53 -4.784 5.451 -3.913 401 H THR 54 H THR 54 0.820 10.047 -5.553 402 HA THR 54 HA THR 54 2.723 11.208 -5.417 403 HB THR 54 HB THR 54 2.754 12.793 -3.441 404 HG1 THR 54 HG1 THR 54 1.950 11.524 -1.750 405 1HG2 THR 54 1HG2 THR 54 -0.041 12.231 -4.566 406 2HG2 THR 54 2HG2 THR 54 0.444 13.719 -3.719 407 3HG2 THR 54 3HG2 THR 54 1.165 13.318 -5.297 408 H ASN 55 H ASN 55 4.799 11.681 -4.065 409 HA ASN 55 HA ASN 55 6.083 9.327 -3.741 410 1HB ASN 55 1HB ASN 55 7.745 10.720 -2.326 411 2HB ASN 55 2HB ASN 55 7.390 11.341 -3.926 412 1HD2 ASN 55 2HD2 ASN 55 6.401 13.255 -4.190 413 2HD2 ASN 55 1HD2 ASN 55 5.929 14.323 -2.911 414 H ASN 56 H ASN 56 3.844 10.971 -1.599 415 HA ASN 56 HA ASN 56 4.399 8.956 0.419 416 1HB ASN 56 1HB ASN 56 5.143 11.542 0.849 417 2HB ASN 56 2HB ASN 56 3.463 11.676 1.329 418 1HD2 ASN 56 2HD2 ASN 56 3.641 11.867 3.465 419 2HD2 ASN 56 1HD2 ASN 56 4.326 10.692 4.537 420 HA PRO 57 HA PRO 57 0.001 8.468 -0.235 421 1HB PRO 57 1HB PRO 57 -0.421 6.562 1.680 422 2HB PRO 57 2HB PRO 57 0.497 6.223 0.177 423 1HG PRO 57 1HG PRO 57 1.741 6.824 2.913 424 2HG PRO 57 2HG PRO 57 1.984 5.555 1.668 425 1HD PRO 57 1HD PRO 57 3.483 7.906 1.838 426 2HD PRO 57 2HD PRO 57 3.190 7.034 0.302 427 H ALA 58 H ALA 58 1.374 8.839 3.132 428 HA ALA 58 HA ALA 58 -0.974 9.567 4.372 429 1HB ALA 58 1HB ALA 58 1.956 10.092 4.811 430 2HB ALA 58 2HB ALA 58 0.765 10.947 5.820 431 3HB ALA 58 3HB ALA 58 0.806 9.168 5.807 432 H ASN 59 H ASN 59 0.841 11.213 1.905 433 HA ASN 59 HA ASN 59 -0.141 13.791 2.660 434 1HB ASN 59 1HB ASN 59 2.103 13.107 1.369 435 2HB ASN 59 2HB ASN 59 1.074 13.153 -0.049 436 1HD2 ASN 59 2HD2 ASN 59 3.279 14.841 0.479 437 2HD2 ASN 59 1HD2 ASN 59 2.726 16.479 0.589 438 H VAL 60 H VAL 60 -1.116 15.077 0.540 439 HA VAL 60 HA VAL 60 -3.542 13.699 -0.074 440 HB VAL 60 HB VAL 60 -2.409 16.383 -0.882 441 1HG1 VAL 60 1HG1 VAL 60 -4.208 15.205 -2.408 442 2HG1 VAL 60 2HG1 VAL 60 -5.324 15.704 -1.115 443 3HG1 VAL 60 3HG1 VAL 60 -4.364 16.926 -1.983 444 1HG2 VAL 60 1HG2 VAL 60 -4.479 15.584 1.192 445 2HG2 VAL 60 2HG2 VAL 60 -2.846 16.221 1.503 446 3HG2 VAL 60 3HG2 VAL 60 -4.076 17.257 0.738 447 H GLY 61 H GLY 61 -4.021 12.503 -1.855 448 1HA GLY 61 1HA GLY 61 -3.181 11.131 -3.568 449 2HA GLY 61 2HA GLY 61 -1.939 12.315 -3.922 450 H LYS 62 H LYS 62 -3.248 11.446 -6.102 451 HA LYS 62 HA LYS 62 -5.634 12.892 -6.635 452 1HB LYS 62 1HB LYS 62 -4.280 14.835 -6.758 453 2HB LYS 62 2HB LYS 62 -3.011 14.006 -7.636 454 1HG LYS 62 1HG LYS 62 -4.624 13.656 -9.556 455 2HG LYS 62 2HG LYS 62 -5.821 14.591 -8.682 456 1HD LYS 62 1HD LYS 62 -4.598 15.991 -10.341 457 2HD LYS 62 2HD LYS 62 -4.365 16.578 -8.706 458 1HE LYS 62 1HE LYS 62 -2.333 14.575 -9.428 459 2HE LYS 62 2HE LYS 62 -2.339 15.915 -10.556 460 1HZ LYS 62 1HZ LYS 62 -2.188 16.179 -7.633 461 2HZ LYS 62 2HZ LYS 62 -0.932 16.340 -8.664 462 3HZ LYS 62 3HZ LYS 62 -2.160 17.416 -8.699 463 H ASN 63 H ASN 63 -6.706 11.946 -8.344 464 HA ASN 63 HA ASN 63 -5.440 9.619 -9.394 465 1HB ASN 63 1HB ASN 63 -8.209 10.868 -9.636 466 2HB ASN 63 2HB ASN 63 -7.760 9.523 -10.665 467 1HD2 ASN 63 2HD2 ASN 63 -9.836 9.368 -8.876 468 2HD2 ASN 63 1HD2 ASN 63 -9.467 8.251 -7.605 469 H ILE 64 H ILE 64 -4.546 9.452 -11.482 470 HA ILE 64 HA ILE 64 -4.440 11.880 -13.040 471 HB ILE 64 HB ILE 64 -2.697 10.868 -14.220 472 1HG1 ILE 64 1HG1 ILE 64 -3.491 8.172 -13.080 473 2HG1 ILE 64 2HG1 ILE 64 -3.895 8.730 -14.692 474 1HG2 ILE 64 1HG2 ILE 64 -2.718 10.834 -11.361 475 2HG2 ILE 64 2HG2 ILE 64 -1.737 9.468 -11.944 476 3HG2 ILE 64 3HG2 ILE 64 -1.359 11.125 -12.473 477 1HD1 ILE 64 1HD1 ILE 64 -1.007 8.840 -13.812 478 2HD1 ILE 64 2HD1 ILE 64 -1.711 7.275 -14.286 479 3HD1 ILE 64 3HD1 ILE 64 -1.680 8.625 -15.446 480 H VAL 65 H VAL 65 -6.819 9.721 -12.628 481 HA VAL 65 HA VAL 65 -7.324 9.146 -15.421 482 HB VAL 65 HB VAL 65 -8.749 8.495 -12.839 483 1HG1 VAL 65 1HG1 VAL 65 -10.265 8.846 -14.890 484 2HG1 VAL 65 2HG1 VAL 65 -9.503 7.376 -15.543 485 3HG1 VAL 65 3HG1 VAL 65 -10.405 7.305 -14.010 486 1HG2 VAL 65 1HG2 VAL 65 -6.522 7.358 -13.614 487 2HG2 VAL 65 2HG2 VAL 65 -7.866 6.357 -13.012 488 3HG2 VAL 65 3HG2 VAL 65 -7.577 6.501 -14.763 489 H THR 66 H THR 66 -8.956 10.902 -12.687 490 HA THR 66 HA THR 66 -10.384 12.464 -14.731 491 HB THR 66 HB THR 66 -11.996 12.874 -12.833 492 HG1 THR 66 HG1 THR 66 -11.451 11.863 -10.838 493 1HG2 THR 66 1HG2 THR 66 -12.283 10.793 -14.280 494 2HG2 THR 66 2HG2 THR 66 -11.311 9.901 -13.086 495 3HG2 THR 66 3HG2 THR 66 -12.880 10.595 -12.615 496 H GLY 67 H GLY 67 -8.200 12.604 -11.922 497 1HA GLY 67 1HA GLY 67 -7.401 15.266 -12.707 498 2HA GLY 67 2HA GLY 67 -6.715 14.265 -11.442 499 H LYS 68 H LYS 68 -9.259 13.672 -10.066 500 HA LYS 68 HA LYS 68 -10.355 16.237 -9.355 501 1HB LYS 68 1HB LYS 68 -10.939 13.371 -8.655 502 2HB LYS 68 2HB LYS 68 -11.586 14.659 -7.659 503 1HG LYS 68 1HG LYS 68 -11.899 15.055 -10.605 504 2HG LYS 68 2HG LYS 68 -12.804 13.713 -9.935 505 1HD LYS 68 1HD LYS 68 -13.321 15.669 -8.056 506 2HD LYS 68 2HD LYS 68 -13.161 16.643 -9.504 507 1HE LYS 68 1HE LYS 68 -14.945 15.498 -10.620 508 2HE LYS 68 2HE LYS 68 -14.889 14.141 -9.513 509 1HZ LYS 68 1HZ LYS 68 -15.452 16.758 -8.404 510 2HZ LYS 68 2HZ LYS 68 -16.637 16.024 -9.253 511 3HZ LYS 68 3HZ LYS 68 -16.003 15.293 -7.938 512 H GLU 69 H GLU 69 -9.698 13.795 -6.869 513 HA GLU 69 HA GLU 69 -7.317 14.801 -5.931 514 1HB GLU 69 1HB GLU 69 -7.889 16.305 -4.174 515 2HB GLU 69 2HB GLU 69 -8.794 16.866 -5.565 516 1HG GLU 69 1HG GLU 69 -10.798 15.559 -4.735 517 2HG GLU 69 2HG GLU 69 -9.884 15.122 -3.305 518 H ILE 70 H ILE 70 -6.532 13.163 -4.670 519 HA ILE 70 HA ILE 70 -8.536 11.488 -3.323 520 HB ILE 70 HB ILE 70 -5.841 10.694 -4.431 521 1HG1 ILE 70 1HG1 ILE 70 -7.857 11.284 -6.022 522 2HG1 ILE 70 2HG1 ILE 70 -6.842 9.887 -6.320 523 1HG2 ILE 70 1HG2 ILE 70 -7.984 9.181 -2.943 524 2HG2 ILE 70 2HG2 ILE 70 -6.822 8.364 -4.016 525 3HG2 ILE 70 3HG2 ILE 70 -6.239 9.281 -2.607 526 1HD1 ILE 70 1HD1 ILE 70 -9.195 9.460 -4.508 527 2HD1 ILE 70 2HD1 ILE 70 -9.540 9.727 -6.234 528 3HD1 ILE 70 3HD1 ILE 70 -8.493 8.377 -5.734 529 HA PRO 71 HA PRO 71 -6.755 13.585 0.220 530 1HB PRO 71 1HB PRO 71 -8.575 11.545 1.504 531 2HB PRO 71 2HB PRO 71 -8.438 13.315 1.759 532 1HG PRO 71 1HG PRO 71 -10.339 12.268 0.461 533 2HG PRO 71 2HG PRO 71 -9.902 13.915 -0.102 534 1HD PRO 71 1HD PRO 71 -9.456 11.253 -1.384 535 2HD PRO 71 2HD PRO 71 -9.370 12.885 -2.114 536 HA PRO 72 HA PRO 72 -3.501 11.143 1.839 537 1HB PRO 72 1HB PRO 72 -5.074 10.814 4.413 538 2HB PRO 72 2HB PRO 72 -3.375 11.320 4.139 539 1HG PRO 72 1HG PRO 72 -5.436 13.201 4.641 540 2HG PRO 72 2HG PRO 72 -3.871 13.273 3.766 541 1HD PRO 72 1HD PRO 72 -6.699 13.254 2.724 542 2HD PRO 72 2HD PRO 72 -5.213 13.896 1.960 543 H LEU 73 H LEU 73 -3.018 8.941 1.567 544 HA LEU 73 HA LEU 73 -5.329 7.186 1.408 545 1HB LEU 73 1HB LEU 73 -3.862 7.244 -0.493 546 2HB LEU 73 2HB LEU 73 -2.461 6.916 0.508 547 HG LEU 73 HG LEU 73 -3.767 4.705 1.107 548 1HD1 LEU 73 1HD1 LEU 73 -5.081 5.604 -1.458 549 2HD1 LEU 73 2HD1 LEU 73 -4.987 3.894 -0.974 550 3HD1 LEU 73 3HD1 LEU 73 -5.843 5.064 0.057 551 1HD2 LEU 73 1HD2 LEU 73 -2.328 5.155 -1.521 552 2HD2 LEU 73 2HD2 LEU 73 -1.592 4.751 0.048 553 3HD2 LEU 73 3HD2 LEU 73 -2.637 3.569 -0.774 554 H ALA 74 H ALA 74 -2.683 8.032 3.519 555 HA ALA 74 HA ALA 74 -1.941 5.827 4.799 556 1HB ALA 74 1HB ALA 74 -2.735 8.566 5.783 557 2HB ALA 74 2HB ALA 74 -1.116 7.839 5.650 558 3HB ALA 74 3HB ALA 74 -2.220 7.322 6.946 559 HA PRO 75 HA PRO 75 -5.984 3.949 5.501 560 1HB PRO 75 1HB PRO 75 -4.178 1.669 6.228 561 2HB PRO 75 2HB PRO 75 -5.503 1.771 5.023 562 1HG PRO 75 1HG PRO 75 -2.890 1.702 4.165 563 2HG PRO 75 2HG PRO 75 -4.276 2.572 3.428 564 1HD PRO 75 1HD PRO 75 -2.080 3.600 5.302 565 2HD PRO 75 2HD PRO 75 -2.694 4.332 3.789 566 H ARG 76 H ARG 76 -3.260 4.727 7.542 567 HA ARG 76 HA ARG 76 -4.681 3.691 9.842 568 1HB ARG 76 1HB ARG 76 -2.299 3.119 9.761 569 2HB ARG 76 2HB ARG 76 -1.851 4.792 9.490 570 1HG ARG 76 1HG ARG 76 -2.394 5.437 11.717 571 2HG ARG 76 2HG ARG 76 -3.410 4.034 11.980 572 1HD ARG 76 1HD ARG 76 -0.648 3.256 11.311 573 2HD ARG 76 2HD ARG 76 -0.700 4.299 12.719 574 HE ARG 76 HE ARG 76 -2.753 2.281 12.920 575 1HH1 ARG 76 1HH1 ARG 76 -2.483 0.534 14.368 576 2HH1 ARG 76 2HH1 ARG 76 -0.905 0.142 14.967 577 1HH2 ARG 76 1HH2 ARG 76 0.728 2.714 13.200 578 2HH2 ARG 76 2HH2 ARG 76 0.933 1.390 14.298 579 H VAL 77 H VAL 77 -3.152 6.701 8.515 580 HA VAL 77 HA VAL 77 -3.703 8.436 10.546 581 HB VAL 77 HB VAL 77 -3.634 8.755 7.551 582 1HG1 VAL 77 1HG1 VAL 77 -5.093 10.512 8.666 583 2HG1 VAL 77 2HG1 VAL 77 -3.630 11.058 9.520 584 3HG1 VAL 77 3HG1 VAL 77 -3.700 11.124 7.743 585 1HG2 VAL 77 1HG2 VAL 77 -1.529 8.141 8.645 586 2HG2 VAL 77 2HG2 VAL 77 -1.454 9.802 8.009 587 3HG2 VAL 77 3HG2 VAL 77 -1.687 9.526 9.752 588 H ASN 78 H ASN 78 -5.881 7.248 7.931 589 HA ASN 78 HA ASN 78 -8.027 8.700 9.252 590 1HB ASN 78 1HB ASN 78 -8.265 7.283 6.567 591 2HB ASN 78 2HB ASN 78 -9.219 8.625 7.168 592 1HD2 ASN 78 2HD2 ASN 78 -8.364 9.024 4.780 593 2HD2 ASN 78 1HD2 ASN 78 -7.001 10.087 4.673 594 H THR 79 H THR 79 -9.263 7.412 10.626 595 HA THR 79 HA THR 79 -8.996 4.606 10.689 596 HB THR 79 HB THR 79 -11.400 5.915 11.904 597 HG1 THR 79 HG1 THR 79 -10.154 7.513 12.821 598 1HG2 THR 79 1HG2 THR 79 -10.253 3.638 12.554 599 2HG2 THR 79 2HG2 THR 79 -9.002 4.660 13.301 600 3HG2 THR 79 3HG2 THR 79 -10.686 4.756 13.869 601 H LYS 80 H LYS 80 -10.649 6.614 8.494 602 HA LYS 80 HA LYS 80 -12.637 4.533 7.967 603 1HB LYS 80 1HB LYS 80 -12.449 7.440 7.144 604 2HB LYS 80 2HB LYS 80 -13.619 6.328 6.461 605 1HG LYS 80 1HG LYS 80 -14.880 6.248 8.389 606 2HG LYS 80 2HG LYS 80 -13.477 6.286 9.438 607 1HD LYS 80 1HD LYS 80 -13.844 8.488 9.824 608 2HD LYS 80 2HD LYS 80 -13.537 8.824 8.132 609 1HE LYS 80 1HE LYS 80 -15.994 8.181 7.681 610 2HE LYS 80 2HE LYS 80 -16.225 8.170 9.418 611 1HZ LYS 80 1HZ LYS 80 -15.124 10.492 9.213 612 2HZ LYS 80 2HZ LYS 80 -15.663 10.416 7.674 613 3HZ LYS 80 3HZ LYS 80 -16.719 10.306 8.914 614 H ARG 81 H ARG 81 -9.849 4.003 7.451 615 HA ARG 81 HA ARG 81 -10.115 3.581 4.619 616 1HB ARG 81 1HB ARG 81 -7.785 5.052 5.926 617 2HB ARG 81 2HB ARG 81 -7.596 4.239 4.385 618 1HG ARG 81 1HG ARG 81 -9.873 6.204 4.805 619 2HG ARG 81 2HG ARG 81 -8.266 6.787 4.419 620 1HD ARG 81 1HD ARG 81 -8.758 4.656 2.590 621 2HD ARG 81 2HD ARG 81 -10.249 5.574 2.649 622 HE ARG 81 HE ARG 81 -7.942 7.328 2.446 623 1HH1 ARG 81 1HH1 ARG 81 -7.572 8.436 0.481 624 2HH1 ARG 81 2HH1 ARG 81 -8.357 7.910 -0.970 625 1HH2 ARG 81 1HH2 ARG 81 -10.065 5.242 0.570 626 2HH2 ARG 81 2HH2 ARG 81 -9.785 6.081 -0.920 627 H PHE 82 H PHE 82 -10.483 1.725 6.697 628 HA PHE 82 HA PHE 82 -9.035 -0.407 6.011 629 1HB PHE 82 1HB PHE 82 -7.496 1.528 7.651 630 2HB PHE 82 2HB PHE 82 -7.579 -0.034 8.441 631 HD1 PHE 82 HD1 PHE 82 -5.133 -0.220 8.200 632 HD2 PHE 82 HD2 PHE 82 -7.672 0.035 4.810 633 HE1 PHE 82 HE1 PHE 82 -3.270 -1.057 6.742 634 HE2 PHE 82 HE2 PHE 82 -5.809 -0.802 3.351 635 HZ PHE 82 HZ PHE 82 -3.630 -1.338 4.335 636 H THR 83 H THR 83 -11.623 0.315 6.999 637 HA THR 83 HA THR 83 -11.673 -1.132 9.566 638 HB THR 83 HB THR 83 -13.576 0.953 8.373 639 HG1 THR 83 HG1 THR 83 -11.642 0.791 10.576 640 1HG2 THR 83 1HG2 THR 83 -13.750 -0.890 10.731 641 2HG2 THR 83 2HG2 THR 83 -14.103 0.822 11.064 642 3HG2 THR 83 3HG2 THR 83 -15.054 -0.062 9.847 643 H ASP 84 H ASP 84 -11.307 -2.767 7.448 644 HA ASP 84 HA ASP 84 -13.490 -4.414 7.632 645 1HB ASP 84 1HB ASP 84 -14.603 -2.714 6.169 646 2HB ASP 84 2HB ASP 84 -13.330 -2.905 4.980 647 H ILE 85 H ILE 85 -11.225 -5.421 8.037 648 HA ILE 85 HA ILE 85 -9.226 -5.715 6.278 649 HB ILE 85 HB ILE 85 -10.444 -7.800 8.088 650 1HG1 ILE 85 1HG1 ILE 85 -7.943 -6.257 8.678 651 2HG1 ILE 85 2HG1 ILE 85 -9.490 -5.463 8.894 652 1HG2 ILE 85 1HG2 ILE 85 -8.421 -8.131 6.110 653 2HG2 ILE 85 2HG2 ILE 85 -7.648 -8.198 7.712 654 3HG2 ILE 85 3HG2 ILE 85 -8.997 -9.294 7.328 655 1HD1 ILE 85 1HD1 ILE 85 -10.108 -7.751 10.155 656 2HD1 ILE 85 2HD1 ILE 85 -8.342 -7.825 10.362 657 3HD1 ILE 85 3HD1 ILE 85 -9.255 -6.432 10.992 658 H ASP 86 H ASP 86 -12.357 -7.514 6.244 659 HA ASP 86 HA ASP 86 -11.834 -9.296 4.306 660 1HB ASP 86 1HB ASP 86 -14.411 -7.685 4.287 661 2HB ASP 86 2HB ASP 86 -14.203 -9.385 3.916 662 H LYS 87 H LYS 87 -13.119 -5.907 3.899 663 HA LYS 87 HA LYS 87 -12.561 -6.068 1.047 664 1HB LYS 87 1HB LYS 87 -14.130 -4.151 2.777 665 2HB LYS 87 2HB LYS 87 -13.722 -3.773 1.116 666 1HG LYS 87 1HG LYS 87 -14.904 -5.741 0.291 667 2HG LYS 87 2HG LYS 87 -15.117 -6.367 1.914 668 1HD LYS 87 1HD LYS 87 -16.286 -3.901 2.203 669 2HD LYS 87 2HD LYS 87 -16.611 -4.191 0.506 670 1HE LYS 87 1HE LYS 87 -18.281 -5.629 1.041 671 2HE LYS 87 2HE LYS 87 -17.156 -6.644 1.922 672 1HZ LYS 87 1HZ LYS 87 -18.315 -4.214 3.085 673 2HZ LYS 87 2HZ LYS 87 -19.012 -5.683 3.236 674 3HZ LYS 87 3HZ LYS 87 -17.529 -5.414 3.864 675 H VAL 88 H VAL 88 -10.225 -6.151 1.237 676 HA VAL 88 HA VAL 88 -9.015 -3.692 0.930 677 HB VAL 88 HB VAL 88 -9.521 -4.234 3.640 678 1HG1 VAL 88 1HG1 VAL 88 -7.563 -5.794 3.532 679 2HG1 VAL 88 2HG1 VAL 88 -6.542 -4.405 3.089 680 3HG1 VAL 88 3HG1 VAL 88 -7.355 -4.443 4.672 681 1HG2 VAL 88 1HG2 VAL 88 -9.123 -2.054 2.246 682 2HG2 VAL 88 2HG2 VAL 88 -8.706 -2.088 3.976 683 3HG2 VAL 88 3HG2 VAL 88 -7.429 -2.264 2.749 684 H GLU 89 H GLU 89 -8.809 -7.103 1.990 685 HA GLU 89 HA GLU 89 -6.114 -7.341 1.140 686 1HB GLU 89 1HB GLU 89 -6.949 -8.760 2.941 687 2HB GLU 89 2HB GLU 89 -8.222 -9.398 1.921 688 1HG GLU 89 1HG GLU 89 -5.703 -9.786 0.556 689 2HG GLU 89 2HG GLU 89 -5.521 -10.356 2.203 690 H ASP 90 H ASP 90 -9.366 -7.989 -0.220 691 HA ASP 90 HA ASP 90 -8.363 -9.395 -2.446 692 1HB ASP 90 1HB ASP 90 -10.683 -9.085 -3.340 693 2HB ASP 90 2HB ASP 90 -10.669 -9.721 -1.707 694 H GLU 91 H GLU 91 -9.525 -6.028 -1.757 695 HA GLU 91 HA GLU 91 -9.390 -5.066 -4.324 696 1HB GLU 91 1HB GLU 91 -9.133 -3.768 -1.596 697 2HB GLU 91 2HB GLU 91 -8.971 -2.804 -3.051 698 1HG GLU 91 1HG GLU 91 -11.325 -4.659 -2.963 699 2HG GLU 91 2HG GLU 91 -11.368 -3.313 -1.841 700 H PHE 92 H PHE 92 -6.848 -5.574 -1.867 701 HA PHE 92 HA PHE 92 -4.876 -4.015 -3.115 702 1HB PHE 92 1HB PHE 92 -5.278 -5.824 -0.872 703 2HB PHE 92 2HB PHE 92 -3.844 -6.367 -1.721 704 HD1 PHE 92 HD1 PHE 92 -2.532 -3.956 -2.586 705 HD2 PHE 92 HD2 PHE 92 -4.633 -4.689 1.027 706 HE1 PHE 92 HE1 PHE 92 -1.179 -2.180 -1.438 707 HE2 PHE 92 HE2 PHE 92 -3.281 -2.913 2.174 708 HZ PHE 92 HZ PHE 92 -1.570 -1.680 0.928 709 H THR 93 H THR 93 -6.239 -7.174 -3.822 710 HA THR 93 HA THR 93 -3.923 -7.948 -5.411 711 HB THR 93 HB THR 93 -6.449 -9.240 -4.356 712 HG1 THR 93 HG1 THR 93 -4.198 -9.221 -3.390 713 1HG2 THR 93 1HG2 THR 93 -4.789 -10.142 -6.755 714 2HG2 THR 93 2HG2 THR 93 -5.646 -11.304 -5.715 715 3HG2 THR 93 3HG2 THR 93 -6.562 -10.074 -6.619 716 H LYS 94 H LYS 94 -7.295 -6.802 -5.788 717 HA LYS 94 HA LYS 94 -7.307 -7.215 -8.596 718 1HB LYS 94 1HB LYS 94 -9.074 -5.405 -6.924 719 2HB LYS 94 2HB LYS 94 -9.407 -6.001 -8.538 720 1HG LYS 94 1HG LYS 94 -8.757 -8.197 -6.689 721 2HG LYS 94 2HG LYS 94 -10.113 -7.250 -6.111 722 1HD LYS 94 1HD LYS 94 -10.306 -7.759 -9.004 723 2HD LYS 94 2HD LYS 94 -10.190 -9.253 -8.095 724 1HE LYS 94 1HE LYS 94 -12.006 -8.020 -6.527 725 2HE LYS 94 2HE LYS 94 -12.333 -7.132 -8.002 726 1HZ LYS 94 1HZ LYS 94 -12.088 -9.920 -8.455 727 2HZ LYS 94 2HZ LYS 94 -13.282 -9.578 -7.394 728 3HZ LYS 94 3HZ LYS 94 -13.292 -8.902 -8.880 729 H HIS 95 H HIS 95 -6.236 -4.741 -6.406 730 HA HIS 95 HA HIS 95 -6.063 -2.572 -8.308 731 1HB HIS 95 1HB HIS 95 -6.202 -2.478 -5.756 732 2HB HIS 95 2HB HIS 95 -4.449 -2.951 -5.734 733 HD1 HIS 95 HD1 HIS 95 -5.164 -0.714 -8.476 734 HD2 HIS 95 HD2 HIS 95 -4.274 -0.303 -4.413 735 HE1 HIS 95 HE1 HIS 95 -4.408 1.729 -8.149 736 H CYS 96 H CYS 96 -3.510 -4.650 -6.810 737 HA CYS 96 HA CYS 96 -1.374 -3.806 -8.421 738 1HB CYS 96 1HB CYS 96 -2.023 -6.308 -6.869 739 2HB CYS 96 2HB CYS 96 -0.570 -6.261 -7.898 740 H ASN 97 H ASN 97 -4.173 -5.813 -9.230 741 HA ASN 97 HA ASN 97 -2.817 -6.992 -11.450 742 1HB ASN 97 1HB ASN 97 -5.369 -7.328 -10.034 743 2HB ASN 97 2HB ASN 97 -5.636 -7.288 -11.766 744 1HD2 ASN 97 2HD2 ASN 97 -5.000 -9.228 -9.208 745 2HD2 ASN 97 1HD2 ASN 97 -4.271 -10.595 -9.984 746 H ASP 98 H ASP 98 -4.298 -3.996 -10.681 747 HA ASP 98 HA ASP 98 -4.886 -3.525 -13.498 748 1HB ASP 98 1HB ASP 98 -6.648 -3.279 -11.417 749 2HB ASP 98 2HB ASP 98 -5.956 -1.669 -11.400 750 H ILE 99 H ILE 99 -2.461 -3.220 -11.392 751 HA ILE 99 HA ILE 99 -1.809 -0.486 -12.238 752 HB ILE 99 HB ILE 99 -1.313 -1.763 -9.548 753 1HG1 ILE 99 1HG1 ILE 99 -3.581 -0.950 -9.773 754 2HG1 ILE 99 2HG1 ILE 99 -2.679 0.096 -8.694 755 1HG2 ILE 99 1HG2 ILE 99 0.421 -0.070 -10.827 756 2HG2 ILE 99 2HG2 ILE 99 -0.593 1.062 -9.901 757 3HG2 ILE 99 3HG2 ILE 99 0.265 -0.253 -9.064 758 1HD1 ILE 99 1HD1 ILE 99 -2.199 1.329 -11.111 759 2HD1 ILE 99 2HD1 ILE 99 -3.837 0.683 -11.367 760 3HD1 ILE 99 3HD1 ILE 99 -3.516 1.777 -10.000 761 H LEU 100 H LEU 100 -0.614 -3.724 -11.162 762 HA LEU 100 HA LEU 100 1.868 -3.162 -12.608 763 1HB LEU 100 1HB LEU 100 1.145 -5.140 -10.453 764 2HB LEU 100 2HB LEU 100 2.626 -5.257 -11.383 765 HG LEU 100 HG LEU 100 1.816 -2.933 -9.614 766 1HD1 LEU 100 1HD1 LEU 100 3.168 -5.435 -9.069 767 2HD1 LEU 100 2HD1 LEU 100 4.220 -4.043 -8.715 768 3HD1 LEU 100 3HD1 LEU 100 2.617 -4.166 -7.950 769 1HD2 LEU 100 1HD2 LEU 100 3.705 -3.067 -11.780 770 2HD2 LEU 100 2HD2 LEU 100 3.267 -1.691 -10.740 771 3HD2 LEU 100 3HD2 LEU 100 4.561 -2.806 -10.241 772 H GLY 101 H GLY 101 -1.041 -5.204 -12.486 773 1HA GLY 101 1HA GLY 101 -0.219 -6.358 -15.075 774 2HA GLY 101 2HA GLY 101 -1.866 -6.074 -14.548 775 H ALA 102 H ALA 102 -0.706 -7.050 -11.710 776 HA ALA 102 HA ALA 102 -1.709 -9.687 -11.996 777 1HB ALA 102 1HB ALA 102 0.927 -9.462 -12.769 778 2HB ALA 102 2HB ALA 102 0.174 -10.944 -12.132 779 3HB ALA 102 3HB ALA 102 1.084 -9.869 -11.043 780 H ASP 103 H ASP 103 -0.780 -10.884 -9.708 781 HA ASP 103 HA ASP 103 -1.808 -9.048 -7.749 782 1HB ASP 103 1HB ASP 103 -2.297 -11.671 -8.146 783 2HB ASP 103 2HB ASP 103 -0.914 -11.852 -7.084 784 H CYS 104 H CYS 104 -0.488 -8.012 -6.335 785 HA CYS 104 HA CYS 104 2.333 -8.098 -6.493 786 1HB CYS 104 1HB CYS 104 0.350 -7.008 -4.480 787 2HB CYS 104 2HB CYS 104 2.106 -6.883 -4.210 788 H SER 105 H SER 105 3.870 -8.714 -4.643 789 HA SER 105 HA SER 105 3.304 -11.392 -3.957 790 1HB SER 105 1HB SER 105 5.538 -11.403 -2.994 791 2HB SER 105 2HB SER 105 5.590 -10.531 -4.513 792 HG SER 105 HG SER 105 5.346 -8.520 -3.191 793 HA PRO 106 HA PRO 106 1.459 -10.928 0.004 794 1HB PRO 106 1HB PRO 106 2.508 -13.138 1.295 795 2HB PRO 106 2HB PRO 106 1.273 -13.238 -0.002 796 1HG PRO 106 1HG PRO 106 4.305 -13.642 -0.294 797 2HG PRO 106 2HG PRO 106 2.888 -14.592 -0.849 798 1HD PRO 106 1HD PRO 106 4.189 -12.738 -2.438 799 2HD PRO 106 2HD PRO 106 2.429 -13.036 -2.564 800 H SER 107 H SER 107 4.856 -10.593 -0.581 801 HA SER 107 HA SER 107 5.400 -10.106 2.210 802 1HB SER 107 1HB SER 107 7.729 -9.952 1.550 803 2HB SER 107 2HB SER 107 7.034 -11.352 0.759 804 HG SER 107 HG SER 107 7.379 -8.745 -0.462 805 H GLU 108 H GLU 108 5.278 -8.413 -0.981 806 HA GLU 108 HA GLU 108 6.093 -5.944 0.024 807 1HB GLU 108 1HB GLU 108 5.600 -5.103 -2.127 808 2HB GLU 108 2HB GLU 108 5.980 -6.787 -2.427 809 1HG GLU 108 1HG GLU 108 3.989 -6.577 -3.633 810 2HG GLU 108 2HG GLU 108 3.374 -7.161 -2.100 811 H LYS 109 H LYS 109 3.024 -7.681 0.054 812 HA LYS 109 HA LYS 109 1.320 -5.473 0.346 813 1HB LYS 109 1HB LYS 109 0.915 -8.065 -0.119 814 2HB LYS 109 2HB LYS 109 0.686 -8.106 1.618 815 1HG LYS 109 1HG LYS 109 -1.477 -7.552 1.033 816 2HG LYS 109 2HG LYS 109 -0.826 -5.926 1.090 817 1HD LYS 109 1HD LYS 109 -1.984 -6.081 -1.005 818 2HD LYS 109 2HD LYS 109 -0.280 -6.159 -1.404 819 1HE LYS 109 1HE LYS 109 -1.371 -7.904 -2.674 820 2HE LYS 109 2HE LYS 109 -0.461 -8.700 -1.405 821 1HZ LYS 109 1HZ LYS 109 -2.771 -8.323 -0.191 822 2HZ LYS 109 2HZ LYS 109 -3.306 -8.470 -1.727 823 3HZ LYS 109 3HZ LYS 109 -2.426 -9.668 -1.051 824 H ALA 110 H ALA 110 2.648 -7.761 2.845 825 HA ALA 110 HA ALA 110 1.721 -6.350 5.033 826 1HB ALA 110 1HB ALA 110 4.314 -7.621 5.477 827 2HB ALA 110 2HB ALA 110 2.709 -8.067 6.104 828 3HB ALA 110 3HB ALA 110 3.234 -8.651 4.507 829 H ASN 111 H ASN 111 4.631 -5.905 2.990 830 HA ASN 111 HA ASN 111 6.041 -4.252 4.636 831 1HB ASN 111 1HB ASN 111 6.956 -5.100 2.512 832 2HB ASN 111 2HB ASN 111 5.742 -4.234 1.590 833 1HD2 ASN 111 2HD2 ASN 111 7.671 -3.228 4.398 834 2HD2 ASN 111 1HD2 ASN 111 8.472 -1.886 3.652 835 H PHE 112 H PHE 112 4.030 -3.202 1.773 836 HA PHE 112 HA PHE 112 3.954 -0.553 2.220 837 1HB PHE 112 1HB PHE 112 2.895 -2.012 0.366 838 2HB PHE 112 2HB PHE 112 1.579 -2.360 1.470 839 HD1 PHE 112 HD1 PHE 112 -0.131 -0.729 1.917 840 HD2 PHE 112 HD2 PHE 112 3.171 0.254 -0.562 841 HE1 PHE 112 HE1 PHE 112 -1.330 1.334 1.137 842 HE2 PHE 112 HE2 PHE 112 1.971 2.316 -1.342 843 HZ PHE 112 HZ PHE 112 -0.265 2.831 -0.484 844 H ILE 113 H ILE 113 1.824 -3.042 3.756 845 HA ILE 113 HA ILE 113 0.129 -1.300 5.069 846 HB ILE 113 HB ILE 113 1.014 -4.119 5.441 847 1HG1 ILE 113 1HG1 ILE 113 -1.836 -3.533 5.473 848 2HG1 ILE 113 2HG1 ILE 113 -1.055 -2.800 4.085 849 1HG2 ILE 113 1HG2 ILE 113 -0.496 -2.506 7.502 850 2HG2 ILE 113 2HG2 ILE 113 -0.621 -4.277 7.377 851 3HG2 ILE 113 3HG2 ILE 113 0.951 -3.518 7.723 852 1HD1 ILE 113 1HD1 ILE 113 -0.182 -5.589 4.687 853 2HD1 ILE 113 2HD1 ILE 113 -1.873 -5.409 4.163 854 3HD1 ILE 113 3HD1 ILE 113 -0.552 -4.825 3.123 855 H ALA 114 H ALA 114 3.434 -2.422 5.869 856 HA ALA 114 HA ALA 114 3.445 -1.429 8.500 857 1HB ALA 114 1HB ALA 114 5.427 -2.490 8.479 858 2HB ALA 114 2HB ALA 114 5.153 -2.861 6.760 859 3HB ALA 114 3HB ALA 114 6.051 -1.395 7.222 860 H TYR 115 H TYR 115 5.338 -0.183 5.731 861 HA TYR 115 HA TYR 115 6.006 2.291 6.659 862 1HB TYR 115 1HB TYR 115 5.801 0.992 4.129 863 2HB TYR 115 2HB TYR 115 5.113 2.615 3.950 864 HD1 TYR 115 HD1 TYR 115 8.158 0.690 4.785 865 HD2 TYR 115 HD2 TYR 115 6.489 4.591 4.118 866 HE1 TYR 115 HE1 TYR 115 10.443 1.643 4.641 867 HE2 TYR 115 HE2 TYR 115 8.774 5.544 3.974 868 HH TYR 115 HH TYR 115 11.241 4.723 4.976 869 H LEU 116 H LEU 116 2.810 1.405 5.150 870 HA LEU 116 HA LEU 116 1.790 4.004 5.243 871 1HB LEU 116 1HB LEU 116 0.719 1.255 4.913 872 2HB LEU 116 2HB LEU 116 -0.425 2.497 5.384 873 HG LEU 116 HG LEU 116 -0.263 2.059 2.921 874 1HD1 LEU 116 1HD1 LEU 116 -0.584 4.464 4.306 875 2HD1 LEU 116 2HD1 LEU 116 0.489 4.859 2.942 876 3HD1 LEU 116 3HD1 LEU 116 -1.093 4.101 2.640 877 1HD2 LEU 116 1HD2 LEU 116 2.454 2.124 3.313 878 2HD2 LEU 116 2HD2 LEU 116 1.628 2.226 1.740 879 3HD2 LEU 116 3HD2 LEU 116 2.136 3.712 2.577 880 H LEU 117 H LEU 117 1.714 1.275 7.606 881 HA LEU 117 HA LEU 117 0.360 3.012 9.504 882 1HB LEU 117 1HB LEU 117 -0.182 1.120 10.686 883 2HB LEU 117 2HB LEU 117 -0.245 0.576 9.021 884 HG LEU 117 HG LEU 117 2.336 -0.050 9.656 885 1HD1 LEU 117 1HD1 LEU 117 1.012 0.417 12.167 886 2HD1 LEU 117 2HD1 LEU 117 1.445 -1.303 12.021 887 3HD1 LEU 117 3HD1 LEU 117 2.698 -0.052 11.843 888 1HD2 LEU 117 1HD2 LEU 117 -0.109 -1.404 9.119 889 2HD2 LEU 117 2HD2 LEU 117 1.560 -1.979 8.891 890 3HD2 LEU 117 3HD2 LEU 117 0.722 -2.270 10.434 891 H THR 118 H THR 118 3.028 3.759 8.600 892 HA THR 118 HA THR 118 4.352 3.645 11.211 893 HB THR 118 HB THR 118 5.421 2.755 8.510 894 HG1 THR 118 HG1 THR 118 5.474 0.945 9.784 895 1HG2 THR 118 1HG2 THR 118 6.856 4.353 10.550 896 2HG2 THR 118 2HG2 THR 118 7.584 2.750 10.292 897 3HG2 THR 118 3HG2 THR 118 7.388 3.869 8.922 898 H GLU 119 H GLU 119 4.931 5.017 7.900 899 HA GLU 119 HA GLU 119 5.712 7.463 9.139 900 1HB GLU 119 1HB GLU 119 5.397 6.684 6.206 901 2HB GLU 119 2HB GLU 119 6.065 8.209 6.755 902 1HG GLU 119 1HG GLU 119 7.479 6.241 8.225 903 2HG GLU 119 2HG GLU 119 7.343 5.573 6.611 904 H THR 120 H THR 120 3.377 7.460 10.180 905 HA THR 120 HA THR 120 1.325 8.411 8.370 906 HB THR 120 HB THR 120 -0.033 8.350 10.484 907 HG1 THR 120 HG1 THR 120 1.966 8.971 11.757 908 1HG2 THR 120 1HG2 THR 120 1.292 6.081 9.290 909 2HG2 THR 120 2HG2 THR 120 1.309 5.852 11.055 910 3HG2 THR 120 3HG2 THR 120 -0.235 6.093 10.204 911 H LYS 121 H LYS 121 2.887 10.231 7.704 912 HA LYS 121 HA LYS 121 1.888 12.594 8.838 913 1HB LYS 121 1HB LYS 121 3.917 13.513 9.836 914 2HB LYS 121 2HB LYS 121 3.383 12.082 10.695 915 1HG LYS 121 1HG LYS 121 5.590 11.468 10.471 916 2HG LYS 121 2HG LYS 121 5.047 10.886 8.910 917 1HD LYS 121 1HD LYS 121 6.295 12.428 7.797 918 2HD LYS 121 2HD LYS 121 5.669 13.743 8.771 919 1HE LYS 121 1HE LYS 121 8.067 13.634 9.145 920 2HE LYS 121 2HE LYS 121 7.280 13.091 10.613 921 1HZ LYS 121 1HZ LYS 121 7.694 10.935 8.859 922 2HZ LYS 121 2HZ LYS 121 9.105 11.709 9.136 923 3HZ LYS 121 3HZ LYS 121 8.230 11.132 10.389 924 HA PRO 122 HA PRO 122 2.555 13.752 4.684 925 1HB PRO 122 1HB PRO 122 3.026 16.449 5.994 926 2HB PRO 122 2HB PRO 122 1.966 15.985 4.623 927 1HG PRO 122 1HG PRO 122 0.816 16.336 7.148 928 2HG PRO 122 2HG PRO 122 0.517 15.198 5.794 929 1HD PRO 122 1HD PRO 122 1.983 14.766 8.444 930 2HD PRO 122 2HD PRO 122 0.796 13.701 7.630 931 H THR 123 H THR 123 4.321 15.012 3.368 932 HA THR 123 HA THR 123 6.892 14.345 4.594 933 HB THR 123 HB THR 123 5.868 14.775 1.751 934 HG1 THR 123 HG1 THR 123 7.260 12.705 3.304 935 1HG2 THR 123 1HG2 THR 123 8.577 15.215 2.758 936 2HG2 THR 123 2HG2 THR 123 8.533 13.756 1.740 937 3HG2 THR 123 3HG2 THR 123 7.986 15.316 1.082 938 H LYS 124 H LYS 124 5.390 17.037 2.675 939 HA LYS 124 HA LYS 124 5.780 19.208 2.681 940 1HB LYS 124 1HB LYS 124 6.164 18.431 5.506 941 2HB LYS 124 2HB LYS 124 6.893 19.962 5.065 942 1HG LYS 124 1HG LYS 124 4.661 20.607 3.982 943 2HG LYS 124 2HG LYS 124 3.976 19.153 4.679 944 1HD LYS 124 1HD LYS 124 5.474 20.707 6.680 945 2HD LYS 124 2HD LYS 124 4.209 21.665 5.937 946 1HE LYS 124 1HE LYS 124 2.546 19.860 6.449 947 2HE LYS 124 2HE LYS 124 3.812 18.909 7.199 948 1HZ LYS 124 1HZ LYS 124 3.941 21.401 8.338 949 2HZ LYS 124 2HZ LYS 124 2.351 21.030 8.288 950 3HZ LYS 124 3HZ LYS 124 3.401 20.025 9.034 No H/Q in entry = 950 Start of MODEL 8 1 H1 ASP 1 H1 ASP 1 -8.742 0.018 15.400 2 H2 ASP 1 H2 ASP 1 -9.921 1.131 15.062 3 H3 ASP 1 H3 ASP 1 -10.288 -0.483 15.084 4 HA ASP 1 HA ASP 1 -10.036 -0.520 13.009 5 1HB ASP 1 1HB ASP 1 -9.164 1.367 11.705 6 2HB ASP 1 2HB ASP 1 -10.220 1.966 12.969 7 H VAL 2 H VAL 2 -7.036 0.980 14.453 8 HA VAL 2 HA VAL 2 -5.138 -0.064 12.841 9 HB VAL 2 HB VAL 2 -5.139 0.348 15.833 10 1HG1 VAL 2 1HG1 VAL 2 -3.218 -1.071 14.362 11 2HG1 VAL 2 2HG1 VAL 2 -2.528 0.556 14.577 12 3HG1 VAL 2 3HG1 VAL 2 -3.037 -0.390 15.997 13 1HG2 VAL 2 1HG2 VAL 2 -4.450 2.066 13.450 14 2HG2 VAL 2 2HG2 VAL 2 -5.519 2.426 14.827 15 3HG2 VAL 2 3HG2 VAL 2 -3.754 2.393 15.054 16 H THR 3 H THR 3 -7.067 -1.741 15.332 17 HA THR 3 HA THR 3 -5.648 -3.998 15.787 18 HB THR 3 HB THR 3 -8.628 -3.516 15.319 19 HG1 THR 3 HG1 THR 3 -7.723 -2.513 17.186 20 1HG2 THR 3 1HG2 THR 3 -7.127 -6.034 16.010 21 2HG2 THR 3 2HG2 THR 3 -8.552 -5.647 17.004 22 3HG2 THR 3 3HG2 THR 3 -8.722 -5.848 15.243 23 H ASN 4 H ASN 4 -7.226 -3.052 12.744 24 HA ASN 4 HA ASN 4 -6.920 -5.646 11.641 25 1HB ASN 4 1HB ASN 4 -7.214 -3.190 9.904 26 2HB ASN 4 2HB ASN 4 -7.994 -4.751 9.741 27 1HD2 ASN 4 2HD2 ASN 4 -8.757 -4.980 12.511 28 2HD2 ASN 4 1HD2 ASN 4 -10.077 -3.896 12.796 29 H ALA 5 H ALA 5 -5.365 -2.377 11.283 30 HA ALA 5 HA ALA 5 -3.543 -2.923 9.330 31 1HB ALA 5 1HB ALA 5 -2.137 -1.173 10.624 32 2HB ALA 5 2HB ALA 5 -3.763 -0.694 10.083 33 3HB ALA 5 3HB ALA 5 -3.488 -1.146 11.783 34 H GLU 6 H GLU 6 -3.217 -3.476 12.899 35 HA GLU 6 HA GLU 6 -0.644 -4.530 12.678 36 1HB GLU 6 1HB GLU 6 -1.297 -3.717 14.815 37 2HB GLU 6 2HB GLU 6 -2.798 -4.622 14.808 38 1HG GLU 6 1HG GLU 6 -1.261 -5.749 16.316 39 2HG GLU 6 2HG GLU 6 -1.467 -6.767 14.905 40 H LYS 7 H LYS 7 -3.898 -5.885 12.285 41 HA LYS 7 HA LYS 7 -3.119 -8.595 12.575 42 1HB LYS 7 1HB LYS 7 -5.392 -8.033 12.974 43 2HB LYS 7 2HB LYS 7 -5.551 -7.210 11.435 44 1HG LYS 7 1HG LYS 7 -4.865 -10.173 11.598 45 2HG LYS 7 2HG LYS 7 -6.525 -9.611 11.610 46 1HD LYS 7 1HD LYS 7 -5.403 -8.201 9.463 47 2HD LYS 7 2HD LYS 7 -4.612 -9.762 9.362 48 1HE LYS 7 1HE LYS 7 -7.147 -10.632 9.786 49 2HE LYS 7 2HE LYS 7 -7.528 -9.085 9.057 50 1HZ LYS 7 1HZ LYS 7 -5.604 -10.027 7.456 51 2HZ LYS 7 2HZ LYS 7 -6.384 -11.404 7.861 52 3HZ LYS 7 3HZ LYS 7 -7.206 -10.174 7.169 53 H LEU 8 H LEU 8 -3.581 -6.358 9.773 54 HA LEU 8 HA LEU 8 -3.132 -8.219 7.778 55 1HB LEU 8 1HB LEU 8 -2.683 -5.249 7.962 56 2HB LEU 8 2HB LEU 8 -2.345 -6.147 6.495 57 HG LEU 8 HG LEU 8 -4.992 -5.619 7.822 58 1HD1 LEU 8 1HD1 LEU 8 -3.760 -5.109 5.126 59 2HD1 LEU 8 2HD1 LEU 8 -5.528 -5.144 5.331 60 3HD1 LEU 8 3HD1 LEU 8 -4.549 -3.974 6.248 61 1HD2 LEU 8 1HD2 LEU 8 -4.253 -7.978 6.138 62 2HD2 LEU 8 2HD2 LEU 8 -5.384 -7.853 7.507 63 3HD2 LEU 8 3HD2 LEU 8 -5.848 -7.220 5.910 64 H VAL 9 H VAL 9 -0.805 -6.177 9.646 65 HA VAL 9 HA VAL 9 1.475 -6.928 8.263 66 HB VAL 9 HB VAL 9 1.090 -6.189 11.171 67 1HG1 VAL 9 1HG1 VAL 9 3.465 -6.959 9.677 68 2HG1 VAL 9 2HG1 VAL 9 3.600 -5.301 10.311 69 3HG1 VAL 9 3HG1 VAL 9 3.262 -6.653 11.419 70 1HG2 VAL 9 1HG2 VAL 9 0.276 -4.596 9.311 71 2HG2 VAL 9 2HG2 VAL 9 1.363 -3.939 10.559 72 3HG2 VAL 9 3HG2 VAL 9 2.002 -4.356 8.950 73 H TYR 10 H TYR 10 0.069 -8.274 11.273 74 HA TYR 10 HA TYR 10 1.908 -10.464 11.434 75 1HB TYR 10 1HB TYR 10 0.410 -9.390 13.246 76 2HB TYR 10 2HB TYR 10 -0.883 -10.409 12.592 77 HD1 TYR 10 HD1 TYR 10 -0.841 -12.829 12.860 78 HD2 TYR 10 HD2 TYR 10 2.310 -10.367 14.429 79 HE1 TYR 10 HE1 TYR 10 -0.041 -14.730 14.237 80 HE2 TYR 10 HE2 TYR 10 3.110 -12.268 15.806 81 HH TYR 10 HH TYR 10 1.375 -14.968 16.506 82 H LYS 11 H LYS 11 -0.562 -9.824 9.166 83 HA LYS 11 HA LYS 11 -1.210 -12.656 8.892 84 1HB LYS 11 1HB LYS 11 -2.544 -10.112 8.239 85 2HB LYS 11 2HB LYS 11 -2.651 -11.315 6.970 86 1HG LYS 11 1HG LYS 11 -3.450 -11.699 9.893 87 2HG LYS 11 2HG LYS 11 -4.543 -11.568 8.529 88 1HD LYS 11 1HD LYS 11 -3.028 -13.632 7.629 89 2HD LYS 11 2HD LYS 11 -2.792 -13.871 9.349 90 1HE LYS 11 1HE LYS 11 -5.616 -13.326 8.665 91 2HE LYS 11 2HE LYS 11 -4.995 -14.750 7.854 92 1HZ LYS 11 1HZ LYS 11 -4.205 -14.616 10.577 93 2HZ LYS 11 2HZ LYS 11 -5.829 -14.641 10.408 94 3HZ LYS 11 3HZ LYS 11 -4.922 -15.837 9.764 95 H TYR 12 H TYR 12 -0.623 -9.993 6.577 96 HA TYR 12 HA TYR 12 0.317 -11.548 4.470 97 1HB TYR 12 1HB TYR 12 1.034 -8.727 5.325 98 2HB TYR 12 2HB TYR 12 1.506 -9.433 3.770 99 HD1 TYR 12 HD1 TYR 12 -0.338 -10.238 2.195 100 HD2 TYR 12 HD2 TYR 12 -1.090 -7.755 5.618 101 HE1 TYR 12 HE1 TYR 12 -2.519 -9.565 1.227 102 HE2 TYR 12 HE2 TYR 12 -3.272 -7.082 4.650 103 HH TYR 12 HH TYR 12 -4.674 -7.221 2.848 104 H THR 13 H THR 13 1.919 -10.773 7.524 105 HA THR 13 HA THR 13 4.560 -11.231 6.507 106 HB THR 13 HB THR 13 3.329 -10.999 9.300 107 HG1 THR 13 HG1 THR 13 4.975 -9.367 7.496 108 1HG2 THR 13 1HG2 THR 13 5.715 -12.232 8.923 109 2HG2 THR 13 2HG2 THR 13 6.255 -10.546 8.735 110 3HG2 THR 13 3HG2 THR 13 5.467 -11.065 10.244 111 H ASN 14 H ASN 14 2.139 -13.150 8.378 112 HA ASN 14 HA ASN 14 3.769 -15.333 8.743 113 1HB ASN 14 1HB ASN 14 1.383 -14.775 9.699 114 2HB ASN 14 2HB ASN 14 0.766 -15.537 8.247 115 1HD2 ASN 14 2HD2 ASN 14 0.847 -16.194 11.219 116 2HD2 ASN 14 1HD2 ASN 14 1.367 -17.844 11.305 117 H ILE 15 H ILE 15 1.250 -14.613 6.208 118 HA ILE 15 HA ILE 15 1.484 -16.929 4.748 119 HB ILE 15 HB ILE 15 0.675 -14.118 4.123 120 1HG1 ILE 15 1HG1 ILE 15 -1.141 -16.368 3.592 121 2HG1 ILE 15 2HG1 ILE 15 -0.614 -16.278 5.261 122 1HG2 ILE 15 1HG2 ILE 15 1.454 -16.174 2.159 123 2HG2 ILE 15 2HG2 ILE 15 -0.153 -15.454 1.900 124 3HG2 ILE 15 3HG2 ILE 15 1.287 -14.411 1.983 125 1HD1 ILE 15 1HD1 ILE 15 -1.772 -13.930 3.688 126 2HD1 ILE 15 2HD1 ILE 15 -2.683 -14.935 4.840 127 3HD1 ILE 15 3HD1 ILE 15 -1.334 -13.926 5.413 128 H ALA 16 H ALA 16 3.433 -13.896 4.591 129 HA ALA 16 HA ALA 16 4.946 -14.633 2.363 130 1HB ALA 16 1HB ALA 16 5.118 -12.665 4.608 131 2HB ALA 16 2HB ALA 16 5.172 -12.401 2.849 132 3HB ALA 16 3HB ALA 16 6.615 -12.997 3.703 133 H HIS 17 H HIS 17 5.262 -15.323 5.874 134 HA HIS 17 HA HIS 17 7.827 -16.510 5.565 135 1HB HIS 17 1HB HIS 17 6.676 -15.418 7.650 136 2HB HIS 17 2HB HIS 17 5.989 -17.012 7.892 137 HD1 HIS 17 HD1 HIS 17 9.550 -15.925 6.927 138 HD2 HIS 17 HD2 HIS 17 7.520 -18.222 9.790 139 HE1 HIS 17 HE1 HIS 17 11.345 -16.959 8.417 140 H SER 18 H SER 18 4.451 -17.552 5.317 141 HA SER 18 HA SER 18 4.986 -20.285 5.644 142 1HB SER 18 1HB SER 18 2.734 -19.361 5.956 143 2HB SER 18 2HB SER 18 2.684 -18.811 4.292 144 HG SER 18 HG SER 18 1.745 -21.085 5.121 145 H ALA 19 H ALA 19 5.957 -18.113 3.260 146 HA ALA 19 HA ALA 19 5.972 -20.222 1.209 147 1HB ALA 19 1HB ALA 19 4.682 -18.428 0.360 148 2HB ALA 19 2HB ALA 19 6.299 -18.180 -0.342 149 3HB ALA 19 3HB ALA 19 5.774 -17.202 1.050 150 H ASN 20 H ASN 20 7.796 -17.563 2.830 151 HA ASN 20 HA ASN 20 10.209 -18.943 1.951 152 1HB ASN 20 1HB ASN 20 9.897 -16.711 0.808 153 2HB ASN 20 2HB ASN 20 9.839 -15.930 2.375 154 1HD2 ASN 20 2HD2 ASN 20 11.649 -14.932 0.851 155 2HD2 ASN 20 1HD2 ASN 20 13.260 -15.454 1.210 156 HA PRO 21 HA PRO 21 10.626 -19.020 6.431 157 1HB PRO 21 1HB PRO 21 12.728 -20.765 6.503 158 2HB PRO 21 2HB PRO 21 11.071 -21.284 6.052 159 1HG PRO 21 1HG PRO 21 13.448 -20.553 4.194 160 2HG PRO 21 2HG PRO 21 12.325 -21.952 4.212 161 1HD PRO 21 1HD PRO 21 12.006 -19.649 2.636 162 2HD PRO 21 2HD PRO 21 10.653 -20.700 3.157 163 H MET 22 H MET 22 11.676 -16.715 4.894 164 HA MET 22 HA MET 22 14.033 -16.314 6.529 165 1HB MET 22 1HB MET 22 13.858 -15.637 3.539 166 2HB MET 22 2HB MET 22 15.229 -15.290 4.574 167 1HG MET 22 1HG MET 22 14.826 -18.031 4.990 168 2HG MET 22 2HG MET 22 14.447 -17.840 3.290 169 1HE MET 22 1HE MET 22 16.782 -17.875 6.053 170 2HE MET 22 2HE MET 22 17.418 -19.168 5.009 171 3HE MET 22 3HE MET 22 18.414 -17.735 5.358 172 H TYR 23 H TYR 23 11.316 -15.474 6.816 173 HA TYR 23 HA TYR 23 11.716 -12.540 6.693 174 1HB TYR 23 1HB TYR 23 10.290 -13.491 4.757 175 2HB TYR 23 2HB TYR 23 9.069 -13.819 5.998 176 HD1 TYR 23 HD1 TYR 23 7.404 -12.237 6.205 177 HD2 TYR 23 HD2 TYR 23 11.337 -10.974 5.026 178 HE1 TYR 23 HE1 TYR 23 6.601 -9.897 6.035 179 HE2 TYR 23 HE2 TYR 23 10.534 -8.634 4.856 180 HH TYR 23 HH TYR 23 8.319 -7.405 4.515 181 H GLU 24 H GLU 24 11.789 -12.025 8.876 182 HA GLU 24 HA GLU 24 10.001 -13.521 10.594 183 1HB GLU 24 1HB GLU 24 12.408 -11.741 11.107 184 2HB GLU 24 2HB GLU 24 11.339 -12.215 12.412 185 1HG GLU 24 1HG GLU 24 12.181 -14.467 10.658 186 2HG GLU 24 2HG GLU 24 13.502 -13.700 11.518 187 H ALA 25 H ALA 25 10.896 -10.125 9.706 188 HA ALA 25 HA ALA 25 8.192 -9.292 9.985 189 1HB ALA 25 1HB ALA 25 10.221 -8.591 12.127 190 2HB ALA 25 2HB ALA 25 8.819 -7.550 11.782 191 3HB ALA 25 3HB ALA 25 8.571 -9.227 12.326 192 HA PRO 26 HA PRO 26 9.347 -6.348 7.002 193 1HB PRO 26 1HB PRO 26 8.147 -4.046 8.131 194 2HB PRO 26 2HB PRO 26 7.325 -5.288 7.132 195 1HG PRO 26 1HG PRO 26 7.471 -5.048 10.065 196 2HG PRO 26 2HG PRO 26 5.965 -5.481 9.191 197 1HD PRO 26 1HD PRO 26 7.345 -7.440 10.330 198 2HD PRO 26 2HD PRO 26 6.891 -7.659 8.613 199 H SER 27 H SER 27 10.399 -3.970 6.882 200 HA SER 27 HA SER 27 12.034 -3.542 9.229 201 1HB SER 27 1HB SER 27 12.996 -4.769 6.802 202 2HB SER 27 2HB SER 27 13.723 -3.180 6.926 203 HG SER 27 HG SER 27 14.697 -5.223 8.088 204 H ILE 28 H ILE 28 9.714 -2.251 7.663 205 HA ILE 28 HA ILE 28 9.151 -0.299 6.728 206 HB ILE 28 HB ILE 28 9.868 1.647 8.119 207 1HG1 ILE 28 1HG1 ILE 28 11.387 -0.394 9.761 208 2HG1 ILE 28 2HG1 ILE 28 12.159 0.685 8.617 209 1HG2 ILE 28 1HG2 ILE 28 8.852 -0.822 9.551 210 2HG2 ILE 28 2HG2 ILE 28 8.739 0.844 10.167 211 3HG2 ILE 28 3HG2 ILE 28 7.881 0.386 8.676 212 1HD1 ILE 28 1HD1 ILE 28 10.296 2.087 10.438 213 2HD1 ILE 28 2HD1 ILE 28 11.640 1.280 11.279 214 3HD1 ILE 28 3HD1 ILE 28 11.978 2.481 10.010 215 H THR 29 H THR 29 10.982 -1.469 5.065 216 HA THR 29 HA THR 29 12.584 0.854 4.233 217 HB THR 29 HB THR 29 13.389 -2.104 4.183 218 HG1 THR 29 HG1 THR 29 13.365 -0.905 6.289 219 1HG2 THR 29 1HG2 THR 29 14.326 -0.306 2.415 220 2HG2 THR 29 2HG2 THR 29 15.268 0.239 3.824 221 3HG2 THR 29 3HG2 THR 29 15.433 -1.433 3.236 222 H ASP 30 H ASP 30 11.723 -2.421 2.932 223 HA ASP 30 HA ASP 30 11.691 -1.866 0.366 224 1HB ASP 30 1HB ASP 30 10.484 -3.809 2.054 225 2HB ASP 30 2HB ASP 30 9.193 -3.256 1.007 226 H GLY 31 H GLY 31 9.303 -0.812 2.812 227 1HA GLY 31 1HA GLY 31 7.406 0.418 2.671 228 2HA GLY 31 2HA GLY 31 7.349 0.137 0.942 229 H LYS 32 H LYS 32 9.498 1.237 -0.199 230 HA LYS 32 HA LYS 32 9.090 4.031 0.268 231 1HB LYS 32 1HB LYS 32 11.229 2.771 1.648 232 2HB LYS 32 2HB LYS 32 11.947 3.687 0.339 233 1HG LYS 32 1HG LYS 32 9.900 4.820 2.303 234 2HG LYS 32 2HG LYS 32 11.633 5.024 2.461 235 1HD LYS 32 1HD LYS 32 11.701 6.661 0.871 236 2HD LYS 32 2HD LYS 32 10.688 5.753 -0.233 237 1HE LYS 32 1HE LYS 32 8.711 6.693 0.570 238 2HE LYS 32 2HE LYS 32 9.335 6.897 2.195 239 1HZ LYS 32 1HZ LYS 32 10.896 8.504 0.686 240 2HZ LYS 32 2HZ LYS 32 9.419 8.700 0.016 241 3HZ LYS 32 3HZ LYS 32 9.639 8.990 1.609 242 H ILE 33 H ILE 33 11.550 1.783 -1.195 243 HA ILE 33 HA ILE 33 11.629 3.330 -3.578 244 HB ILE 33 HB ILE 33 12.757 0.648 -2.790 245 1HG1 ILE 33 1HG1 ILE 33 14.306 3.162 -3.372 246 2HG1 ILE 33 2HG1 ILE 33 13.559 2.932 -1.804 247 1HG2 ILE 33 1HG2 ILE 33 12.655 1.985 -5.440 248 2HG2 ILE 33 2HG2 ILE 33 14.217 1.289 -4.947 249 3HG2 ILE 33 3HG2 ILE 33 12.767 0.259 -5.019 250 1HD1 ILE 33 1HD1 ILE 33 15.157 0.640 -2.924 251 2HD1 ILE 33 2HD1 ILE 33 16.042 2.057 -2.310 252 3HD1 ILE 33 3HD1 ILE 33 14.948 1.156 -1.233 253 H PHE 34 H PHE 34 10.170 0.162 -2.615 254 HA PHE 34 HA PHE 34 9.173 -0.539 -5.080 255 1HB PHE 34 1HB PHE 34 9.108 -2.072 -3.194 256 2HB PHE 34 2HB PHE 34 8.322 -0.893 -2.164 257 HD1 PHE 34 HD1 PHE 34 6.081 -1.194 -1.729 258 HD2 PHE 34 HD2 PHE 34 7.663 -2.717 -5.360 259 HE1 PHE 34 HE1 PHE 34 3.849 -2.203 -2.279 260 HE2 PHE 34 HE2 PHE 34 5.431 -3.726 -5.910 261 HZ PHE 34 HZ PHE 34 3.551 -3.456 -4.362 262 H PHE 35 H PHE 35 8.197 2.052 -2.931 263 HA PHE 35 HA PHE 35 5.677 2.318 -4.402 264 1HB PHE 35 1HB PHE 35 5.560 2.208 -1.907 265 2HB PHE 35 2HB PHE 35 6.796 3.443 -1.766 266 HD1 PHE 35 HD1 PHE 35 3.340 2.884 -3.015 267 HD2 PHE 35 HD2 PHE 35 6.198 5.698 -1.630 268 HE1 PHE 35 HE1 PHE 35 1.563 4.655 -2.945 269 HE2 PHE 35 HE2 PHE 35 4.421 7.469 -1.560 270 HZ PHE 35 HZ PHE 35 2.125 6.927 -2.219 271 H ASN 36 H ASN 36 8.747 3.204 -4.884 272 HA ASN 36 HA ASN 36 7.913 5.743 -5.974 273 1HB ASN 36 1HB ASN 36 10.088 5.320 -3.916 274 2HB ASN 36 2HB ASN 36 10.390 6.500 -5.176 275 1HD2 ASN 36 2HD2 ASN 36 7.907 5.472 -2.851 276 2HD2 ASN 36 1HD2 ASN 36 7.314 7.048 -2.445 277 H ARG 37 H ARG 37 8.573 2.942 -6.934 278 HA ARG 37 HA ARG 37 11.030 3.519 -8.373 279 1HB ARG 37 1HB ARG 37 10.796 1.368 -6.958 280 2HB ARG 37 2HB ARG 37 9.622 0.817 -8.137 281 1HG ARG 37 1HG ARG 37 11.542 -0.109 -9.061 282 2HG ARG 37 2HG ARG 37 11.549 1.437 -9.886 283 1HD ARG 37 1HD ARG 37 13.022 0.966 -7.253 284 2HD ARG 37 2HD ARG 37 13.778 0.738 -8.817 285 HE ARG 37 HE ARG 37 13.260 3.269 -7.528 286 1HH1 ARG 37 1HH1 ARG 37 13.718 5.214 -8.636 287 2HH1 ARG 37 2HH1 ARG 37 13.903 5.206 -10.358 288 1HH2 ARG 37 1HH2 ARG 37 13.335 1.747 -10.700 289 2HH2 ARG 37 2HH2 ARG 37 13.683 3.221 -11.540 290 H LYS 38 H LYS 38 10.333 4.667 -10.206 291 HA LYS 38 HA LYS 38 7.944 4.401 -11.500 292 1HB LYS 38 1HB LYS 38 9.409 6.246 -11.937 293 2HB LYS 38 2HB LYS 38 10.678 5.193 -12.529 294 1HG LYS 38 1HG LYS 38 9.820 5.556 -14.605 295 2HG LYS 38 2HG LYS 38 8.523 4.471 -14.143 296 1HD LYS 38 1HD LYS 38 7.502 6.517 -14.952 297 2HD LYS 38 2HD LYS 38 7.251 6.457 -13.219 298 1HE LYS 38 1HE LYS 38 8.003 8.720 -14.015 299 2HE LYS 38 2HE LYS 38 9.085 8.027 -12.823 300 1HZ LYS 38 1HZ LYS 38 9.529 7.747 -15.710 301 2HZ LYS 38 2HZ LYS 38 10.162 8.967 -14.828 302 3HZ LYS 38 3HZ LYS 38 10.585 7.423 -14.507 303 H PHE 39 H PHE 39 7.147 2.316 -11.767 304 HA PHE 39 HA PHE 39 8.833 0.479 -13.286 305 1HB PHE 39 1HB PHE 39 7.012 -1.144 -12.509 306 2HB PHE 39 2HB PHE 39 7.844 -0.359 -11.181 307 HD1 PHE 39 HD1 PHE 39 4.758 -0.203 -13.234 308 HD2 PHE 39 HD2 PHE 39 6.652 0.907 -9.602 309 HE1 PHE 39 HE1 PHE 39 2.559 0.605 -12.334 310 HE2 PHE 39 HE2 PHE 39 4.453 1.715 -8.703 311 HZ PHE 39 HZ PHE 39 2.432 1.555 -10.079 312 H LYS 40 H LYS 40 7.657 -0.913 -14.953 313 HA LYS 40 HA LYS 40 5.866 0.839 -16.476 314 1HB LYS 40 1HB LYS 40 8.159 -0.824 -17.175 315 2HB LYS 40 2HB LYS 40 6.758 -1.207 -18.155 316 1HG LYS 40 1HG LYS 40 6.520 1.428 -18.371 317 2HG LYS 40 2HG LYS 40 8.202 1.444 -17.877 318 1HD LYS 40 1HD LYS 40 8.178 -0.553 -19.827 319 2HD LYS 40 2HD LYS 40 7.003 0.589 -20.450 320 1HE LYS 40 1HE LYS 40 8.694 1.923 -21.159 321 2HE LYS 40 2HE LYS 40 9.192 2.161 -19.495 322 1HZ LYS 40 1HZ LYS 40 9.975 -0.247 -20.956 323 2HZ LYS 40 2HZ LYS 40 10.835 1.134 -21.092 324 3HZ LYS 40 3HZ LYS 40 10.674 0.414 -19.636 325 H THR 41 H THR 41 3.954 -0.045 -17.447 326 HA THR 41 HA THR 41 3.023 -2.453 -16.035 327 HB THR 41 HB THR 41 0.817 -1.462 -16.191 328 HG1 THR 41 HG1 THR 41 0.823 0.663 -17.508 329 1HG2 THR 41 1HG2 THR 41 2.365 -0.255 -14.550 330 2HG2 THR 41 2HG2 THR 41 2.716 0.915 -15.845 331 3HG2 THR 41 3HG2 THR 41 1.062 0.766 -15.205 332 HA PRO 42 HA PRO 42 2.772 -4.758 -19.699 333 1HB PRO 42 1HB PRO 42 0.606 -6.350 -19.157 334 2HB PRO 42 2HB PRO 42 2.154 -6.485 -18.260 335 1HG PRO 42 1HG PRO 42 -0.428 -4.979 -16.952 336 2HG PRO 42 2HG PRO 42 0.827 -6.255 -16.821 337 1HD PRO 42 1HD PRO 42 1.068 -3.428 -16.215 338 2HD PRO 42 2HD PRO 42 2.379 -4.646 -16.231 339 H SER 43 H SER 43 0.521 -2.316 -18.844 340 HA SER 43 HA SER 43 -1.256 -2.909 -21.017 341 1HB SER 43 1HB SER 43 -2.600 -1.128 -20.198 342 2HB SER 43 2HB SER 43 -1.943 -1.884 -18.760 343 HG SER 43 HG SER 43 -1.687 0.359 -18.532 344 H GLY 44 H GLY 44 1.788 -1.426 -20.578 345 1HA GLY 44 1HA GLY 44 1.629 -0.204 -23.223 346 2HA GLY 44 2HA GLY 44 3.071 -0.558 -22.292 347 H LYS 45 H LYS 45 3.218 0.730 -20.087 348 HA LYS 45 HA LYS 45 3.521 3.375 -20.645 349 1HB LYS 45 1HB LYS 45 1.531 4.300 -19.258 350 2HB LYS 45 2HB LYS 45 1.294 3.906 -20.948 351 1HG LYS 45 1HG LYS 45 0.841 1.535 -19.307 352 2HG LYS 45 2HG LYS 45 -0.133 2.864 -18.712 353 1HD LYS 45 1HD LYS 45 -0.503 3.127 -21.439 354 2HD LYS 45 2HD LYS 45 -0.314 1.390 -21.297 355 1HE LYS 45 1HE LYS 45 -2.427 1.203 -20.497 356 2HE LYS 45 2HE LYS 45 -2.027 2.241 -19.142 357 1HZ LYS 45 1HZ LYS 45 -2.346 4.110 -20.807 358 2HZ LYS 45 2HZ LYS 45 -3.112 3.010 -21.741 359 3HZ LYS 45 3HZ LYS 45 -3.685 3.357 -20.252 360 H GLU 46 H GLU 46 4.465 4.484 -18.867 361 HA GLU 46 HA GLU 46 5.151 2.663 -16.742 362 1HB GLU 46 1HB GLU 46 6.934 4.242 -16.221 363 2HB GLU 46 2HB GLU 46 6.923 3.952 -17.949 364 1HG GLU 46 1HG GLU 46 5.304 6.262 -16.861 365 2HG GLU 46 2HG GLU 46 7.044 6.438 -16.973 366 H ALA 47 H ALA 47 5.070 3.349 -14.443 367 HA ALA 47 HA ALA 47 3.493 5.651 -13.790 368 1HB ALA 47 1HB ALA 47 2.178 3.149 -14.273 369 2HB ALA 47 2HB ALA 47 1.477 4.672 -13.673 370 3HB ALA 47 3HB ALA 47 2.123 3.476 -12.524 371 H ALA 48 H ALA 48 2.814 4.986 -11.163 372 HA ALA 48 HA ALA 48 4.868 3.590 -9.830 373 1HB ALA 48 1HB ALA 48 5.240 6.339 -8.968 374 2HB ALA 48 2HB ALA 48 6.451 5.156 -9.519 375 3HB ALA 48 3HB ALA 48 5.600 6.176 -10.704 376 H CYS 49 H CYS 49 4.508 3.605 -7.487 377 HA CYS 49 HA CYS 49 1.762 3.853 -6.898 378 1HB CYS 49 1HB CYS 49 4.031 3.461 -4.941 379 2HB CYS 49 2HB CYS 49 2.339 3.076 -4.698 380 H ALA 50 H ALA 50 4.296 6.107 -7.166 381 HA ALA 50 HA ALA 50 3.127 7.865 -5.131 382 1HB ALA 50 1HB ALA 50 5.445 7.659 -4.745 383 2HB ALA 50 2HB ALA 50 5.303 9.178 -5.661 384 3HB ALA 50 3HB ALA 50 5.830 7.690 -6.483 385 H SER 51 H SER 51 2.630 7.046 -8.274 386 HA SER 51 HA SER 51 2.680 9.671 -9.389 387 1HB SER 51 1HB SER 51 2.501 6.968 -10.359 388 2HB SER 51 2HB SER 51 1.104 7.835 -10.963 389 HG SER 51 HG SER 51 3.825 8.144 -11.597 390 H CYS 52 H CYS 52 0.542 7.765 -7.444 391 HA CYS 52 HA CYS 52 -1.643 9.601 -8.109 392 1HB CYS 52 1HB CYS 52 -1.771 6.632 -7.545 393 2HB CYS 52 2HB CYS 52 -3.164 7.673 -7.333 394 H HIS 53 H HIS 53 -0.074 7.459 -5.752 395 HA HIS 53 HA HIS 53 -1.332 8.890 -3.474 396 1HB HIS 53 1HB HIS 53 0.550 6.468 -3.491 397 2HB HIS 53 2HB HIS 53 -0.458 7.080 -2.111 398 HD1 HIS 53 HD1 HIS 53 -3.155 7.172 -3.000 399 HD2 HIS 53 HD2 HIS 53 -0.592 4.232 -4.502 400 HE1 HIS 53 HE1 HIS 53 -4.667 5.262 -3.843 401 H THR 54 H THR 54 0.884 9.946 -5.438 402 HA THR 54 HA THR 54 2.792 11.103 -5.323 403 HB THR 54 HB THR 54 2.840 12.691 -3.356 404 HG1 THR 54 HG1 THR 54 2.094 11.388 -1.654 405 1HG2 THR 54 1HG2 THR 54 0.503 12.215 -5.090 406 2HG2 THR 54 2HG2 THR 54 0.032 12.914 -3.523 407 3HG2 THR 54 3HG2 THR 54 1.207 13.760 -4.558 408 H ASN 55 H ASN 55 4.876 11.588 -3.972 409 HA ASN 55 HA ASN 55 6.166 9.226 -3.671 410 1HB ASN 55 1HB ASN 55 7.876 10.602 -2.342 411 2HB ASN 55 2HB ASN 55 7.433 11.284 -3.895 412 1HD2 ASN 55 2HD2 ASN 55 6.423 13.201 -4.027 413 2HD2 ASN 55 1HD2 ASN 55 6.022 14.216 -2.682 414 H ASN 56 H ASN 56 4.016 10.947 -1.472 415 HA ASN 56 HA ASN 56 4.613 8.945 0.556 416 1HB ASN 56 1HB ASN 56 5.292 11.541 0.941 417 2HB ASN 56 2HB ASN 56 3.602 11.672 1.386 418 1HD2 ASN 56 2HD2 ASN 56 3.889 12.018 3.521 419 2HD2 ASN 56 1HD2 ASN 56 4.516 10.854 4.640 420 HA PRO 57 HA PRO 57 0.230 8.299 -0.106 421 1HB PRO 57 1HB PRO 57 -0.088 6.354 1.806 422 2HB PRO 57 2HB PRO 57 0.781 6.066 0.264 423 1HG PRO 57 1HG PRO 57 2.043 6.642 2.965 424 2HG PRO 57 2HG PRO 57 2.349 5.414 1.694 425 1HD PRO 57 1HD PRO 57 3.747 7.814 1.918 426 2HD PRO 57 2HD PRO 57 3.480 6.981 0.357 427 H ALA 58 H ALA 58 1.725 8.887 3.152 428 HA ALA 58 HA ALA 58 -0.678 9.441 4.464 429 1HB ALA 58 1HB ALA 58 2.141 9.458 4.989 430 2HB ALA 58 2HB ALA 58 1.465 11.009 5.542 431 3HB ALA 58 3HB ALA 58 0.797 9.477 6.156 432 H ASN 59 H ASN 59 0.919 11.082 1.907 433 HA ASN 59 HA ASN 59 -0.072 13.656 2.728 434 1HB ASN 59 1HB ASN 59 2.188 13.054 1.421 435 2HB ASN 59 2HB ASN 59 1.150 13.080 0.009 436 1HD2 ASN 59 2HD2 ASN 59 3.263 14.833 0.396 437 2HD2 ASN 59 1HD2 ASN 59 2.671 16.451 0.574 438 H VAL 60 H VAL 60 -1.129 14.928 0.660 439 HA VAL 60 HA VAL 60 -3.493 13.457 0.027 440 HB VAL 60 HB VAL 60 -2.443 16.223 -0.494 441 1HG1 VAL 60 1HG1 VAL 60 -4.693 14.824 -1.892 442 2HG1 VAL 60 2HG1 VAL 60 -4.902 16.533 -1.441 443 3HG1 VAL 60 3HG1 VAL 60 -3.554 16.050 -2.499 444 1HG2 VAL 60 1HG2 VAL 60 -3.655 15.242 1.678 445 2HG2 VAL 60 2HG2 VAL 60 -3.922 16.907 1.109 446 3HG2 VAL 60 3HG2 VAL 60 -5.106 15.635 0.724 447 H GLY 61 H GLY 61 -3.798 12.132 -1.683 448 1HA GLY 61 1HA GLY 61 -3.005 10.887 -3.463 449 2HA GLY 61 2HA GLY 61 -1.755 12.077 -3.767 450 H LYS 62 H LYS 62 -3.013 11.253 -5.992 451 HA LYS 62 HA LYS 62 -5.374 12.756 -6.538 452 1HB LYS 62 1HB LYS 62 -3.930 14.641 -6.659 453 2HB LYS 62 2HB LYS 62 -2.708 13.757 -7.550 454 1HG LYS 62 1HG LYS 62 -4.481 13.436 -9.404 455 2HG LYS 62 2HG LYS 62 -5.466 14.600 -8.540 456 1HD LYS 62 1HD LYS 62 -2.684 15.074 -9.701 457 2HD LYS 62 2HD LYS 62 -4.188 15.767 -10.274 458 1HE LYS 62 1HE LYS 62 -4.062 16.417 -7.502 459 2HE LYS 62 2HE LYS 62 -2.444 16.690 -8.119 460 1HZ LYS 62 1HZ LYS 62 -4.754 17.688 -9.596 461 2HZ LYS 62 2HZ LYS 62 -4.165 18.530 -8.327 462 3HZ LYS 62 3HZ LYS 62 -3.213 18.229 -9.619 463 H ASN 63 H ASN 63 -6.488 11.785 -8.191 464 HA ASN 63 HA ASN 63 -5.242 9.455 -9.277 465 1HB ASN 63 1HB ASN 63 -8.036 10.661 -9.372 466 2HB ASN 63 2HB ASN 63 -7.621 9.341 -10.448 467 1HD2 ASN 63 2HD2 ASN 63 -9.601 8.990 -8.676 468 2HD2 ASN 63 1HD2 ASN 63 -9.151 7.902 -7.405 469 H ILE 64 H ILE 64 -4.441 9.301 -11.403 470 HA ILE 64 HA ILE 64 -4.435 11.730 -12.960 471 HB ILE 64 HB ILE 64 -2.741 10.737 -14.223 472 1HG1 ILE 64 1HG1 ILE 64 -3.472 8.031 -13.064 473 2HG1 ILE 64 2HG1 ILE 64 -3.935 8.595 -14.658 474 1HG2 ILE 64 1HG2 ILE 64 -2.218 11.294 -11.809 475 2HG2 ILE 64 2HG2 ILE 64 -2.306 9.547 -11.479 476 3HG2 ILE 64 3HG2 ILE 64 -1.093 10.177 -12.619 477 1HD1 ILE 64 1HD1 ILE 64 -1.041 8.425 -13.701 478 2HD1 ILE 64 2HD1 ILE 64 -1.857 7.161 -14.652 479 3HD1 ILE 64 3HD1 ILE 64 -1.600 8.776 -15.354 480 H VAL 65 H VAL 65 -6.769 9.540 -12.442 481 HA VAL 65 HA VAL 65 -7.401 8.950 -15.201 482 HB VAL 65 HB VAL 65 -8.741 8.345 -12.562 483 1HG1 VAL 65 1HG1 VAL 65 -9.593 7.692 -15.391 484 2HG1 VAL 65 2HG1 VAL 65 -10.130 6.740 -13.986 485 3HG1 VAL 65 3HG1 VAL 65 -10.536 8.469 -14.097 486 1HG2 VAL 65 1HG2 VAL 65 -6.521 7.207 -13.363 487 2HG2 VAL 65 2HG2 VAL 65 -7.840 6.213 -12.700 488 3HG2 VAL 65 3HG2 VAL 65 -7.598 6.311 -14.461 489 H THR 66 H THR 66 -8.896 10.758 -12.424 490 HA THR 66 HA THR 66 -10.383 12.316 -14.434 491 HB THR 66 HB THR 66 -11.986 12.695 -12.540 492 HG1 THR 66 HG1 THR 66 -11.428 11.638 -10.540 493 1HG2 THR 66 1HG2 THR 66 -11.983 10.460 -13.983 494 2HG2 THR 66 2HG2 THR 66 -11.372 9.722 -12.483 495 3HG2 THR 66 3HG2 THR 66 -12.956 10.533 -12.494 496 H GLY 67 H GLY 67 -8.191 12.432 -11.622 497 1HA GLY 67 1HA GLY 67 -7.373 15.090 -12.402 498 2HA GLY 67 2HA GLY 67 -6.695 14.083 -11.138 499 H LYS 68 H LYS 68 -9.250 13.502 -9.773 500 HA LYS 68 HA LYS 68 -10.331 16.072 -9.057 501 1HB LYS 68 1HB LYS 68 -10.940 13.207 -8.407 502 2HB LYS 68 2HB LYS 68 -11.545 14.464 -7.347 503 1HG LYS 68 1HG LYS 68 -11.957 15.160 -10.175 504 2HG LYS 68 2HG LYS 68 -12.693 13.619 -9.785 505 1HD LYS 68 1HD LYS 68 -13.516 15.015 -7.607 506 2HD LYS 68 2HD LYS 68 -13.334 16.357 -8.720 507 1HE LYS 68 1HE LYS 68 -14.849 13.859 -9.559 508 2HE LYS 68 2HE LYS 68 -15.643 15.101 -8.613 509 1HZ LYS 68 1HZ LYS 68 -14.209 16.237 -10.751 510 2HZ LYS 68 2HZ LYS 68 -15.254 15.111 -11.306 511 3HZ LYS 68 3HZ LYS 68 -15.799 16.356 -10.401 512 H GLU 69 H GLU 69 -9.638 13.593 -6.603 513 HA GLU 69 HA GLU 69 -7.275 14.635 -5.656 514 1HB GLU 69 1HB GLU 69 -7.903 16.051 -3.819 515 2HB GLU 69 2HB GLU 69 -8.743 16.666 -5.229 516 1HG GLU 69 1HG GLU 69 -10.775 15.293 -4.527 517 2HG GLU 69 2HG GLU 69 -9.925 14.882 -3.051 518 H ILE 70 H ILE 70 -6.449 12.958 -4.481 519 HA ILE 70 HA ILE 70 -8.400 11.162 -3.226 520 HB ILE 70 HB ILE 70 -5.585 10.609 -4.171 521 1HG1 ILE 70 1HG1 ILE 70 -7.531 11.065 -5.876 522 2HG1 ILE 70 2HG1 ILE 70 -6.409 9.742 -6.123 523 1HG2 ILE 70 1HG2 ILE 70 -7.600 9.007 -2.659 524 2HG2 ILE 70 2HG2 ILE 70 -6.609 8.181 -3.885 525 3HG2 ILE 70 3HG2 ILE 70 -5.825 9.037 -2.536 526 1HD1 ILE 70 1HD1 ILE 70 -8.712 8.997 -4.420 527 2HD1 ILE 70 2HD1 ILE 70 -9.173 9.502 -6.063 528 3HD1 ILE 70 3HD1 ILE 70 -8.026 8.160 -5.833 529 HA PRO 71 HA PRO 71 -7.097 13.181 0.531 530 1HB PRO 71 1HB PRO 71 -8.639 10.816 1.602 531 2HB PRO 71 2HB PRO 71 -8.792 12.568 1.953 532 1HG PRO 71 1HG PRO 71 -10.446 11.274 0.489 533 2HG PRO 71 2HG PRO 71 -10.230 13.012 0.101 534 1HD PRO 71 1HD PRO 71 -9.321 10.571 -1.371 535 2HD PRO 71 2HD PRO 71 -9.472 12.254 -1.960 536 HA PRO 72 HA PRO 72 -3.578 11.095 2.089 537 1HB PRO 72 1HB PRO 72 -4.491 10.467 4.741 538 2HB PRO 72 2HB PRO 72 -3.593 11.924 4.204 539 1HG PRO 72 1HG PRO 72 -6.465 11.478 4.499 540 2HG PRO 72 2HG PRO 72 -5.840 13.094 4.963 541 1HD PRO 72 1HD PRO 72 -7.028 13.006 2.656 542 2HD PRO 72 2HD PRO 72 -5.326 13.554 2.576 543 H LEU 73 H LEU 73 -2.992 8.996 1.537 544 HA LEU 73 HA LEU 73 -5.038 6.997 1.486 545 1HB LEU 73 1HB LEU 73 -3.575 6.980 -0.328 546 2HB LEU 73 2HB LEU 73 -2.152 7.148 0.681 547 HG LEU 73 HG LEU 73 -2.856 4.784 1.593 548 1HD1 LEU 73 1HD1 LEU 73 -4.718 5.190 -0.610 549 2HD1 LEU 73 2HD1 LEU 73 -3.738 3.719 -0.814 550 3HD1 LEU 73 3HD1 LEU 73 -4.700 3.949 0.665 551 1HD2 LEU 73 1HD2 LEU 73 -1.105 5.720 -0.451 552 2HD2 LEU 73 2HD2 LEU 73 -0.942 4.288 0.593 553 3HD2 LEU 73 3HD2 LEU 73 -1.783 4.159 -0.971 554 H ALA 74 H ALA 74 -2.405 7.999 3.633 555 HA ALA 74 HA ALA 74 -1.768 5.817 5.031 556 1HB ALA 74 1HB ALA 74 -2.361 8.661 5.838 557 2HB ALA 74 2HB ALA 74 -0.798 7.814 5.748 558 3HB ALA 74 3HB ALA 74 -1.925 7.463 7.080 559 HA PRO 75 HA PRO 75 -5.907 4.268 5.922 560 1HB PRO 75 1HB PRO 75 -4.259 1.905 6.743 561 2HB PRO 75 2HB PRO 75 -5.589 2.041 5.548 562 1HG PRO 75 1HG PRO 75 -2.980 1.720 4.755 563 2HG PRO 75 2HG PRO 75 -4.248 2.630 3.871 564 1HD PRO 75 1HD PRO 75 -2.040 3.631 5.734 565 2HD PRO 75 2HD PRO 75 -2.587 4.310 4.171 566 H ARG 76 H ARG 76 -3.048 4.865 7.873 567 HA ARG 76 HA ARG 76 -4.495 4.088 10.250 568 1HB ARG 76 1HB ARG 76 -1.904 3.677 9.672 569 2HB ARG 76 2HB ARG 76 -1.720 5.300 10.307 570 1HG ARG 76 1HG ARG 76 -3.358 4.140 12.225 571 2HG ARG 76 2HG ARG 76 -2.374 2.775 11.734 572 1HD ARG 76 1HD ARG 76 -0.305 4.015 12.216 573 2HD ARG 76 2HD ARG 76 -1.206 5.485 12.525 574 HE ARG 76 HE ARG 76 -1.987 3.197 14.209 575 1HH1 ARG 76 1HH1 ARG 76 -1.644 3.398 16.459 576 2HH1 ARG 76 2HH1 ARG 76 -0.653 4.680 17.072 577 1HH2 ARG 76 1HH2 ARG 76 0.065 6.039 13.903 578 2HH2 ARG 76 2HH2 ARG 76 0.326 6.192 15.609 579 H VAL 77 H VAL 77 -2.899 6.921 8.665 580 HA VAL 77 HA VAL 77 -3.283 8.789 10.650 581 HB VAL 77 HB VAL 77 -3.163 8.930 7.646 582 1HG1 VAL 77 1HG1 VAL 77 -3.526 11.210 9.605 583 2HG1 VAL 77 2HG1 VAL 77 -2.805 11.432 7.993 584 3HG1 VAL 77 3HG1 VAL 77 -4.477 10.838 8.147 585 1HG2 VAL 77 1HG2 VAL 77 -1.156 8.327 9.132 586 2HG2 VAL 77 2HG2 VAL 77 -0.936 9.639 7.949 587 3HG2 VAL 77 3HG2 VAL 77 -1.198 10.025 9.667 588 H ASN 78 H ASN 78 -5.536 7.583 8.115 589 HA ASN 78 HA ASN 78 -7.555 9.373 9.132 590 1HB ASN 78 1HB ASN 78 -7.949 7.278 6.952 591 2HB ASN 78 2HB ASN 78 -8.830 8.777 7.174 592 1HD2 ASN 78 2HD2 ASN 78 -8.026 8.479 4.759 593 2HD2 ASN 78 1HD2 ASN 78 -6.620 9.402 4.346 594 H THR 79 H THR 79 -9.379 8.611 10.322 595 HA THR 79 HA THR 79 -9.145 5.919 11.367 596 HB THR 79 HB THR 79 -11.211 6.898 12.705 597 HG1 THR 79 HG1 THR 79 -11.525 8.668 11.179 598 1HG2 THR 79 1HG2 THR 79 -8.311 7.617 12.860 599 2HG2 THR 79 2HG2 THR 79 -9.413 8.740 13.693 600 3HG2 THR 79 3HG2 THR 79 -9.395 7.016 14.137 601 H LYS 80 H LYS 80 -10.489 7.283 8.605 602 HA LYS 80 HA LYS 80 -12.696 5.351 8.629 603 1HB LYS 80 1HB LYS 80 -12.353 8.071 7.534 604 2HB LYS 80 2HB LYS 80 -13.097 6.937 6.426 605 1HG LYS 80 1HG LYS 80 -15.038 6.899 7.615 606 2HG LYS 80 2HG LYS 80 -14.194 6.610 9.124 607 1HD LYS 80 1HD LYS 80 -13.854 9.370 8.070 608 2HD LYS 80 2HD LYS 80 -15.514 8.961 8.459 609 1HE LYS 80 1HE LYS 80 -13.790 7.973 10.577 610 2HE LYS 80 2HE LYS 80 -13.401 9.654 10.273 611 1HZ LYS 80 1HZ LYS 80 -15.938 9.926 10.295 612 2HZ LYS 80 2HZ LYS 80 -15.943 8.505 11.100 613 3HZ LYS 80 3HZ LYS 80 -15.144 9.788 11.716 614 H ARG 81 H ARG 81 -10.061 4.357 8.390 615 HA ARG 81 HA ARG 81 -10.256 3.382 5.680 616 1HB ARG 81 1HB ARG 81 -7.738 4.560 6.945 617 2HB ARG 81 2HB ARG 81 -7.676 3.511 5.544 618 1HG ARG 81 1HG ARG 81 -9.545 5.883 5.470 619 2HG ARG 81 2HG ARG 81 -7.827 6.176 5.283 620 1HD ARG 81 1HD ARG 81 -7.913 4.256 3.485 621 2HD ARG 81 2HD ARG 81 -9.648 4.502 3.514 622 HE ARG 81 HE ARG 81 -7.622 6.389 2.490 623 1HH1 ARG 81 1HH1 ARG 81 -8.392 8.192 1.315 624 2HH1 ARG 81 2HH1 ARG 81 -10.080 8.580 1.335 625 1HH2 ARG 81 1HH2 ARG 81 -10.974 5.905 3.445 626 2HH2 ARG 81 2HH2 ARG 81 -11.558 7.271 2.555 627 H PHE 82 H PHE 82 -8.651 1.396 5.427 628 HA PHE 82 HA PHE 82 -8.451 -0.730 6.091 629 1HB PHE 82 1HB PHE 82 -6.886 1.118 7.912 630 2HB PHE 82 2HB PHE 82 -6.921 -0.571 8.377 631 HD1 PHE 82 HD1 PHE 82 -4.421 -0.428 8.073 632 HD2 PHE 82 HD2 PHE 82 -7.131 -0.003 4.835 633 HE1 PHE 82 HE1 PHE 82 -2.565 -0.913 6.455 634 HE2 PHE 82 HE2 PHE 82 -5.274 -0.488 3.217 635 HZ PHE 82 HZ PHE 82 -3.013 -0.937 4.046 636 H THR 83 H THR 83 -10.991 -0.187 6.775 637 HA THR 83 HA THR 83 -11.261 -0.881 9.614 638 HB THR 83 HB THR 83 -13.283 0.161 7.560 639 HG1 THR 83 HG1 THR 83 -11.762 1.303 9.799 640 1HG2 THR 83 1HG2 THR 83 -14.162 -1.104 9.667 641 2HG2 THR 83 2HG2 THR 83 -13.446 0.228 10.606 642 3HG2 THR 83 3HG2 THR 83 -14.741 0.563 9.432 643 H ASP 84 H ASP 84 -12.779 -1.754 6.432 644 HA ASP 84 HA ASP 84 -13.559 -4.248 7.593 645 1HB ASP 84 1HB ASP 84 -13.768 -3.512 4.654 646 2HB ASP 84 2HB ASP 84 -14.800 -4.592 5.571 647 H ILE 85 H ILE 85 -11.905 -5.788 7.754 648 HA ILE 85 HA ILE 85 -9.623 -5.743 6.113 649 HB ILE 85 HB ILE 85 -10.776 -7.814 7.977 650 1HG1 ILE 85 1HG1 ILE 85 -8.265 -6.339 8.565 651 2HG1 ILE 85 2HG1 ILE 85 -9.740 -5.393 8.603 652 1HG2 ILE 85 1HG2 ILE 85 -8.939 -8.334 5.967 653 2HG2 ILE 85 2HG2 ILE 85 -7.927 -8.050 7.404 654 3HG2 ILE 85 3HG2 ILE 85 -9.200 -9.294 7.443 655 1HD1 ILE 85 1HD1 ILE 85 -10.735 -7.285 10.073 656 2HD1 ILE 85 2HD1 ILE 85 -9.059 -7.862 10.242 657 3HD1 ILE 85 3HD1 ILE 85 -9.504 -6.238 10.821 658 H ASP 86 H ASP 86 -12.477 -7.993 6.212 659 HA ASP 86 HA ASP 86 -11.889 -9.663 4.272 660 1HB ASP 86 1HB ASP 86 -14.361 -9.598 3.629 661 2HB ASP 86 2HB ASP 86 -14.034 -9.809 5.338 662 H LYS 87 H LYS 87 -13.228 -6.312 3.832 663 HA LYS 87 HA LYS 87 -12.795 -6.531 0.960 664 1HB LYS 87 1HB LYS 87 -14.567 -4.992 2.728 665 2HB LYS 87 2HB LYS 87 -13.845 -4.024 1.458 666 1HG LYS 87 1HG LYS 87 -14.923 -5.178 -0.240 667 2HG LYS 87 2HG LYS 87 -14.871 -6.707 0.614 668 1HD LYS 87 1HD LYS 87 -16.572 -5.456 2.274 669 2HD LYS 87 2HD LYS 87 -16.871 -4.459 0.864 670 1HE LYS 87 1HE LYS 87 -18.279 -6.068 0.102 671 2HE LYS 87 2HE LYS 87 -16.889 -7.107 -0.136 672 1HZ LYS 87 1HZ LYS 87 -17.534 -7.124 2.562 673 2HZ LYS 87 2HZ LYS 87 -18.914 -7.382 1.727 674 3HZ LYS 87 3HZ LYS 87 -17.625 -8.358 1.497 675 H VAL 88 H VAL 88 -10.432 -6.646 1.169 676 HA VAL 88 HA VAL 88 -9.204 -4.249 0.657 677 HB VAL 88 HB VAL 88 -9.769 -4.458 3.389 678 1HG1 VAL 88 1HG1 VAL 88 -7.851 -6.079 3.506 679 2HG1 VAL 88 2HG1 VAL 88 -6.780 -4.764 2.966 680 3HG1 VAL 88 3HG1 VAL 88 -7.652 -4.624 4.511 681 1HG2 VAL 88 1HG2 VAL 88 -9.467 -2.403 2.022 682 2HG2 VAL 88 2HG2 VAL 88 -8.563 -2.359 3.555 683 3HG2 VAL 88 3HG2 VAL 88 -7.710 -2.688 2.027 684 H GLU 89 H GLU 89 -9.042 -7.531 2.059 685 HA GLU 89 HA GLU 89 -6.338 -7.927 1.502 686 1HB GLU 89 1HB GLU 89 -6.872 -10.338 1.833 687 2HB GLU 89 2HB GLU 89 -7.550 -9.333 3.098 688 1HG GLU 89 1HG GLU 89 -9.684 -9.913 2.554 689 2HG GLU 89 2HG GLU 89 -9.421 -9.587 0.853 690 H ASP 90 H ASP 90 -9.290 -8.091 -0.449 691 HA ASP 90 HA ASP 90 -7.881 -9.466 -2.552 692 1HB ASP 90 1HB ASP 90 -10.729 -8.682 -1.977 693 2HB ASP 90 2HB ASP 90 -10.282 -8.848 -3.664 694 H GLU 91 H GLU 91 -9.521 -6.324 -1.789 695 HA GLU 91 HA GLU 91 -9.286 -5.119 -4.216 696 1HB GLU 91 1HB GLU 91 -9.301 -4.079 -1.375 697 2HB GLU 91 2HB GLU 91 -9.081 -2.957 -2.703 698 1HG GLU 91 1HG GLU 91 -11.316 -4.928 -3.018 699 2HG GLU 91 2HG GLU 91 -11.533 -3.723 -1.765 700 H PHE 92 H PHE 92 -6.778 -6.075 -2.006 701 HA PHE 92 HA PHE 92 -4.881 -4.128 -2.950 702 1HB PHE 92 1HB PHE 92 -5.264 -6.008 -0.780 703 2HB PHE 92 2HB PHE 92 -3.794 -6.495 -1.600 704 HD1 PHE 92 HD1 PHE 92 -2.532 -4.021 -2.377 705 HD2 PHE 92 HD2 PHE 92 -4.690 -4.914 1.166 706 HE1 PHE 92 HE1 PHE 92 -1.258 -2.239 -1.152 707 HE2 PHE 92 HE2 PHE 92 -3.415 -3.132 2.392 708 HZ PHE 92 HZ PHE 92 -1.715 -1.816 1.218 709 H THR 93 H THR 93 -5.961 -7.394 -3.753 710 HA THR 93 HA THR 93 -3.566 -7.913 -5.323 711 HB THR 93 HB THR 93 -5.985 -9.448 -4.346 712 HG1 THR 93 HG1 THR 93 -3.070 -9.643 -4.551 713 1HG2 THR 93 1HG2 THR 93 -4.200 -10.159 -6.723 714 2HG2 THR 93 2HG2 THR 93 -5.012 -11.401 -5.739 715 3HG2 THR 93 3HG2 THR 93 -5.978 -10.212 -6.645 716 H LYS 94 H LYS 94 -7.008 -7.032 -5.738 717 HA LYS 94 HA LYS 94 -6.984 -7.411 -8.540 718 1HB LYS 94 1HB LYS 94 -8.833 -5.631 -6.933 719 2HB LYS 94 2HB LYS 94 -9.140 -6.357 -8.498 720 1HG LYS 94 1HG LYS 94 -8.632 -8.635 -7.179 721 2HG LYS 94 2HG LYS 94 -9.058 -7.672 -5.779 722 1HD LYS 94 1HD LYS 94 -11.071 -8.786 -6.615 723 2HD LYS 94 2HD LYS 94 -11.232 -7.060 -6.869 724 1HE LYS 94 1HE LYS 94 -9.926 -8.388 -9.156 725 2HE LYS 94 2HE LYS 94 -11.510 -9.062 -8.827 726 1HZ LYS 94 1HZ LYS 94 -12.229 -6.644 -8.704 727 2HZ LYS 94 2HZ LYS 94 -10.825 -6.297 -9.463 728 3HZ LYS 94 3HZ LYS 94 -11.924 -7.269 -10.181 729 H HIS 95 H HIS 95 -5.965 -4.926 -6.356 730 HA HIS 95 HA HIS 95 -5.908 -2.724 -8.223 731 1HB HIS 95 1HB HIS 95 -5.984 -2.637 -5.688 732 2HB HIS 95 2HB HIS 95 -4.235 -3.128 -5.688 733 HD1 HIS 95 HD1 HIS 95 -4.900 -0.866 -8.406 734 HD2 HIS 95 HD2 HIS 95 -4.073 -0.482 -4.327 735 HE1 HIS 95 HE1 HIS 95 -4.129 1.568 -8.055 736 H CYS 96 H CYS 96 -3.263 -4.777 -6.859 737 HA CYS 96 HA CYS 96 -1.204 -3.833 -8.527 738 1HB CYS 96 1HB CYS 96 -1.723 -6.325 -6.928 739 2HB CYS 96 2HB CYS 96 -0.351 -6.312 -8.065 740 H ASN 97 H ASN 97 -3.938 -5.990 -9.229 741 HA ASN 97 HA ASN 97 -2.647 -7.116 -11.493 742 1HB ASN 97 1HB ASN 97 -5.163 -7.454 -10.026 743 2HB ASN 97 2HB ASN 97 -5.481 -7.391 -11.748 744 1HD2 ASN 97 2HD2 ASN 97 -4.842 -9.385 -9.257 745 2HD2 ASN 97 1HD2 ASN 97 -4.122 -10.738 -10.062 746 H ASP 98 H ASP 98 -4.161 -4.128 -10.698 747 HA ASP 98 HA ASP 98 -4.779 -3.659 -13.509 748 1HB ASP 98 1HB ASP 98 -6.388 -3.293 -11.222 749 2HB ASP 98 2HB ASP 98 -5.825 -1.676 -11.594 750 H ILE 99 H ILE 99 -2.384 -3.291 -11.299 751 HA ILE 99 HA ILE 99 -1.723 -0.577 -12.212 752 HB ILE 99 HB ILE 99 -1.229 -1.873 -9.533 753 1HG1 ILE 99 1HG1 ILE 99 -3.443 -0.972 -9.684 754 2HG1 ILE 99 2HG1 ILE 99 -2.478 0.107 -8.695 755 1HG2 ILE 99 1HG2 ILE 99 0.030 0.542 -10.810 756 2HG2 ILE 99 2HG2 ILE 99 -0.193 0.451 -9.046 757 3HG2 ILE 99 3HG2 ILE 99 0.786 -0.777 -9.884 758 1HD1 ILE 99 1HD1 ILE 99 -2.023 1.323 -11.038 759 2HD1 ILE 99 2HD1 ILE 99 -3.553 0.526 -11.477 760 3HD1 ILE 99 3HD1 ILE 99 -3.500 1.654 -10.101 761 H LEU 100 H LEU 100 -0.470 -3.798 -11.136 762 HA LEU 100 HA LEU 100 1.970 -3.224 -12.646 763 1HB LEU 100 1HB LEU 100 1.306 -5.193 -10.465 764 2HB LEU 100 2HB LEU 100 2.763 -5.318 -11.431 765 HG LEU 100 HG LEU 100 1.988 -3.038 -9.594 766 1HD1 LEU 100 1HD1 LEU 100 3.018 -5.387 -8.842 767 2HD1 LEU 100 2HD1 LEU 100 4.527 -4.558 -9.295 768 3HD1 LEU 100 3HD1 LEU 100 3.456 -3.846 -8.065 769 1HD2 LEU 100 1HD2 LEU 100 3.966 -3.170 -11.794 770 2HD2 LEU 100 2HD2 LEU 100 3.134 -1.774 -11.069 771 3HD2 LEU 100 3HD2 LEU 100 4.547 -2.489 -10.256 772 H GLY 101 H GLY 101 -0.997 -5.114 -12.590 773 1HA GLY 101 1HA GLY 101 -0.199 -6.315 -15.152 774 2HA GLY 101 2HA GLY 101 -1.833 -6.054 -14.575 775 H ALA 102 H ALA 102 -0.530 -7.055 -11.789 776 HA ALA 102 HA ALA 102 -1.525 -9.703 -12.083 777 1HB ALA 102 1HB ALA 102 0.785 -9.851 -13.118 778 2HB ALA 102 2HB ALA 102 0.521 -10.922 -11.720 779 3HB ALA 102 3HB ALA 102 1.451 -9.417 -11.526 780 H ASP 103 H ASP 103 -0.466 -10.897 -9.823 781 HA ASP 103 HA ASP 103 -1.510 -9.109 -7.823 782 1HB ASP 103 1HB ASP 103 -2.076 -11.662 -8.181 783 2HB ASP 103 2HB ASP 103 -0.560 -11.955 -7.352 784 H CYS 104 H CYS 104 -0.174 -8.050 -6.444 785 HA CYS 104 HA CYS 104 2.661 -8.157 -6.658 786 1HB CYS 104 1HB CYS 104 0.724 -6.943 -4.665 787 2HB CYS 104 2HB CYS 104 2.489 -6.797 -4.471 788 H SER 105 H SER 105 4.210 -8.721 -4.819 789 HA SER 105 HA SER 105 3.568 -11.333 -3.950 790 1HB SER 105 1HB SER 105 5.832 -11.396 -3.099 791 2HB SER 105 2HB SER 105 5.868 -10.562 -4.640 792 HG SER 105 HG SER 105 6.816 -9.662 -2.328 793 HA PRO 106 HA PRO 106 1.781 -10.546 -0.016 794 1HB PRO 106 1HB PRO 106 2.773 -12.692 1.406 795 2HB PRO 106 2HB PRO 106 1.530 -12.849 0.123 796 1HG PRO 106 1HG PRO 106 4.485 -13.253 -0.203 797 2HG PRO 106 2HG PRO 106 3.193 -14.377 -0.739 798 1HD PRO 106 1HD PRO 106 4.241 -12.645 -2.498 799 2HD PRO 106 2HD PRO 106 2.460 -12.808 -2.422 800 H SER 107 H SER 107 5.218 -10.490 -0.648 801 HA SER 107 HA SER 107 5.808 -9.763 2.073 802 1HB SER 107 1HB SER 107 8.131 -9.789 1.389 803 2HB SER 107 2HB SER 107 7.357 -11.208 0.714 804 HG SER 107 HG SER 107 8.736 -9.360 -0.615 805 H GLU 108 H GLU 108 5.766 -8.341 -1.253 806 HA GLU 108 HA GLU 108 6.726 -5.852 -0.506 807 1HB GLU 108 1HB GLU 108 4.833 -6.532 -2.799 808 2HB GLU 108 2HB GLU 108 5.822 -5.091 -2.681 809 1HG GLU 108 1HG GLU 108 7.332 -7.638 -2.358 810 2HG GLU 108 2HG GLU 108 6.593 -7.435 -3.935 811 H LYS 109 H LYS 109 3.717 -7.416 0.158 812 HA LYS 109 HA LYS 109 2.290 -4.900 0.451 813 1HB LYS 109 1HB LYS 109 1.378 -7.769 0.826 814 2HB LYS 109 2HB LYS 109 0.353 -6.352 0.939 815 1HG LYS 109 1HG LYS 109 1.759 -6.091 -1.530 816 2HG LYS 109 2HG LYS 109 1.262 -7.769 -1.443 817 1HD LYS 109 1HD LYS 109 -0.962 -6.205 -0.526 818 2HD LYS 109 2HD LYS 109 -0.362 -5.423 -1.976 819 1HE LYS 109 1HE LYS 109 -2.122 -7.275 -2.324 820 2HE LYS 109 2HE LYS 109 -0.680 -7.381 -3.314 821 1HZ LYS 109 1HZ LYS 109 -0.663 -8.731 -0.747 822 2HZ LYS 109 2HZ LYS 109 -1.526 -9.404 -1.959 823 3HZ LYS 109 3HZ LYS 109 0.076 -9.147 -2.143 824 H ALA 110 H ALA 110 2.893 -7.843 2.505 825 HA ALA 110 HA ALA 110 2.155 -6.860 4.897 826 1HB ALA 110 1HB ALA 110 3.663 -9.033 3.898 827 2HB ALA 110 2HB ALA 110 3.007 -8.837 5.541 828 3HB ALA 110 3HB ALA 110 4.662 -8.296 5.174 829 H ASN 111 H ASN 111 4.925 -5.880 2.934 830 HA ASN 111 HA ASN 111 6.234 -4.603 5.107 831 1HB ASN 111 1HB ASN 111 7.224 -5.516 2.827 832 2HB ASN 111 2HB ASN 111 6.705 -3.980 2.162 833 1HD2 ASN 111 2HD2 ASN 111 7.262 -2.055 3.677 834 2HD2 ASN 111 1HD2 ASN 111 8.899 -1.984 4.237 835 H PHE 112 H PHE 112 4.641 -3.495 2.011 836 HA PHE 112 HA PHE 112 4.681 -0.842 2.304 837 1HB PHE 112 1HB PHE 112 3.624 -2.100 0.428 838 2HB PHE 112 2HB PHE 112 2.388 -2.727 1.501 839 HD1 PHE 112 HD1 PHE 112 0.404 -1.515 1.904 840 HD2 PHE 112 HD2 PHE 112 3.641 0.374 -0.086 841 HE1 PHE 112 HE1 PHE 112 -1.083 0.423 1.324 842 HE2 PHE 112 HE2 PHE 112 2.154 2.311 -0.666 843 HZ PHE 112 HZ PHE 112 -0.190 2.312 0.046 844 H ILE 113 H ILE 113 2.300 -3.073 3.879 845 HA ILE 113 HA ILE 113 0.740 -1.109 5.053 846 HB ILE 113 HB ILE 113 1.306 -3.991 5.581 847 1HG1 ILE 113 1HG1 ILE 113 -1.464 -3.143 5.372 848 2HG1 ILE 113 2HG1 ILE 113 -0.524 -2.537 4.023 849 1HG2 ILE 113 1HG2 ILE 113 1.148 -2.959 7.819 850 2HG2 ILE 113 2HG2 ILE 113 -0.437 -2.281 7.376 851 3HG2 ILE 113 3HG2 ILE 113 -0.216 -4.045 7.463 852 1HD1 ILE 113 1HD1 ILE 113 0.468 -5.026 4.017 853 2HD1 ILE 113 2HD1 ILE 113 -1.073 -5.384 4.833 854 3HD1 ILE 113 3HD1 ILE 113 -1.075 -4.647 3.213 855 H ALA 114 H ALA 114 3.720 -2.777 6.241 856 HA ALA 114 HA ALA 114 3.802 -1.714 8.766 857 1HB ALA 114 1HB ALA 114 5.791 -2.784 8.797 858 2HB ALA 114 2HB ALA 114 5.425 -3.267 7.124 859 3HB ALA 114 3HB ALA 114 6.420 -1.824 7.436 860 H TYR 115 H TYR 115 5.670 -0.477 5.965 861 HA TYR 115 HA TYR 115 6.498 1.934 7.030 862 1HB TYR 115 1HB TYR 115 6.596 0.685 4.580 863 2HB TYR 115 2HB TYR 115 5.590 2.101 4.229 864 HD1 TYR 115 HD1 TYR 115 6.505 4.406 5.050 865 HD2 TYR 115 HD2 TYR 115 8.918 0.883 4.579 866 HE1 TYR 115 HE1 TYR 115 8.540 5.817 4.915 867 HE2 TYR 115 HE2 TYR 115 10.953 2.295 4.445 868 HH TYR 115 HH TYR 115 11.354 5.149 5.460 869 H LEU 116 H LEU 116 3.221 1.016 5.947 870 HA LEU 116 HA LEU 116 2.333 3.735 5.845 871 1HB LEU 116 1HB LEU 116 1.425 1.225 4.964 872 2HB LEU 116 2HB LEU 116 0.233 1.775 6.125 873 HG LEU 116 HG LEU 116 -0.219 3.760 4.874 874 1HD1 LEU 116 1HD1 LEU 116 2.414 3.232 3.695 875 2HD1 LEU 116 2HD1 LEU 116 1.181 3.725 2.511 876 3HD1 LEU 116 3HD1 LEU 116 1.533 4.763 3.913 877 1HD2 LEU 116 1HD2 LEU 116 -0.556 1.149 3.801 878 2HD2 LEU 116 2HD2 LEU 116 -1.568 2.593 3.561 879 3HD2 LEU 116 3HD2 LEU 116 -0.221 2.255 2.447 880 H LEU 117 H LEU 117 2.304 1.017 8.194 881 HA LEU 117 HA LEU 117 0.624 2.317 10.046 882 1HB LEU 117 1HB LEU 117 2.663 0.126 10.462 883 2HB LEU 117 2HB LEU 117 1.411 0.592 11.596 884 HG LEU 117 HG LEU 117 1.197 -0.935 9.035 885 1HD1 LEU 117 1HD1 LEU 117 1.252 -1.929 11.387 886 2HD1 LEU 117 2HD1 LEU 117 -0.387 -1.263 11.584 887 3HD1 LEU 117 3HD1 LEU 117 -0.060 -2.459 10.307 888 1HD2 LEU 117 1HD2 LEU 117 -0.269 1.013 8.676 889 2HD2 LEU 117 2HD2 LEU 117 -1.182 -0.507 8.830 890 3HD2 LEU 117 3HD2 LEU 117 -1.122 0.637 10.193 891 H THR 118 H THR 118 4.153 2.301 9.434 892 HA THR 118 HA THR 118 4.730 3.768 11.832 893 HB THR 118 HB THR 118 6.167 2.544 9.510 894 HG1 THR 118 HG1 THR 118 7.528 2.083 11.466 895 1HG2 THR 118 1HG2 THR 118 7.043 5.108 10.858 896 2HG2 THR 118 2HG2 THR 118 8.264 3.846 10.568 897 3HG2 THR 118 3HG2 THR 118 7.365 4.546 9.200 898 H GLU 119 H GLU 119 4.928 4.604 8.302 899 HA GLU 119 HA GLU 119 5.287 7.312 8.872 900 1HB GLU 119 1HB GLU 119 5.284 7.624 6.534 901 2HB GLU 119 2HB GLU 119 5.843 5.974 6.716 902 1HG GLU 119 1HG GLU 119 3.273 5.355 6.526 903 2HG GLU 119 2HG GLU 119 3.114 6.955 5.830 904 H THR 120 H THR 120 3.818 8.790 9.592 905 HA THR 120 HA THR 120 1.098 8.665 8.605 906 HB THR 120 HB THR 120 0.131 8.547 10.880 907 HG1 THR 120 HG1 THR 120 1.623 8.475 12.642 908 1HG2 THR 120 1HG2 THR 120 0.742 6.325 9.780 909 2HG2 THR 120 2HG2 THR 120 2.296 6.394 10.645 910 3HG2 THR 120 3HG2 THR 120 0.773 6.279 11.559 911 H LYS 121 H LYS 121 3.332 10.432 8.131 912 HA LYS 121 HA LYS 121 2.115 12.849 9.239 913 1HB LYS 121 1HB LYS 121 5.113 12.492 9.055 914 2HB LYS 121 2HB LYS 121 4.228 13.818 9.781 915 1HG LYS 121 1HG LYS 121 3.489 12.484 11.622 916 2HG LYS 121 2HG LYS 121 3.833 10.980 10.790 917 1HD LYS 121 1HD LYS 121 5.849 10.946 11.828 918 2HD LYS 121 2HD LYS 121 6.320 12.318 10.845 919 1HE LYS 121 1HE LYS 121 4.741 12.695 13.420 920 2HE LYS 121 2HE LYS 121 6.488 12.559 13.439 921 1HZ LYS 121 1HZ LYS 121 5.466 14.397 11.498 922 2HZ LYS 121 2HZ LYS 121 5.169 14.825 13.045 923 3HZ LYS 121 3HZ LYS 121 6.704 14.572 12.549 924 HA PRO 122 HA PRO 122 2.240 14.018 5.011 925 1HB PRO 122 1HB PRO 122 1.514 16.638 5.310 926 2HB PRO 122 2HB PRO 122 0.389 15.285 5.660 927 1HG PRO 122 1HG PRO 122 1.942 16.994 7.807 928 2HG PRO 122 2HG PRO 122 0.327 16.297 7.456 929 1HD PRO 122 1HD PRO 122 2.530 15.105 8.932 930 2HD PRO 122 2HD PRO 122 0.978 14.333 8.488 931 H THR 123 H THR 123 3.352 15.732 3.557 932 HA THR 123 HA THR 123 5.570 17.108 4.788 933 HB THR 123 HB THR 123 5.903 14.638 3.022 934 HG1 THR 123 HG1 THR 123 6.815 15.721 5.587 935 1HG2 THR 123 1HG2 THR 123 7.552 17.076 3.122 936 2HG2 THR 123 2HG2 THR 123 8.440 15.661 3.735 937 3HG2 THR 123 3HG2 THR 123 7.747 15.634 2.096 938 H LYS 124 H LYS 124 3.309 18.174 3.608 939 HA LYS 124 HA LYS 124 3.513 18.568 0.861 940 1HB LYS 124 1HB LYS 124 1.904 20.291 1.163 941 2HB LYS 124 2HB LYS 124 1.529 19.031 2.321 942 1HG LYS 124 1HG LYS 124 3.401 20.851 3.562 943 2HG LYS 124 2HG LYS 124 2.123 21.805 2.834 944 1HD LYS 124 1HD LYS 124 0.478 20.110 3.962 945 2HD LYS 124 2HD LYS 124 1.857 19.603 4.916 946 1HE LYS 124 1HE LYS 124 1.154 22.550 4.715 947 2HE LYS 124 2HE LYS 124 0.286 21.517 5.832 948 1HZ LYS 124 1HZ LYS 124 3.085 21.123 5.981 949 2HZ LYS 124 2HZ LYS 124 2.681 22.677 6.281 950 3HZ LYS 124 3HZ LYS 124 2.024 21.475 7.171 No H/Q in entry = 950 Start of MODEL 9 1 H1 ASP 1 H1 ASP 1 -7.272 2.574 16.349 2 H2 ASP 1 H2 ASP 1 -8.704 3.006 15.640 3 H3 ASP 1 H3 ASP 1 -8.550 1.521 16.355 4 HA ASP 1 HA ASP 1 -8.409 1.003 14.242 5 1HB ASP 1 1HB ASP 1 -6.313 2.894 13.367 6 2HB ASP 1 2HB ASP 1 -7.809 2.449 12.570 7 H VAL 2 H VAL 2 -6.183 0.438 12.789 8 HA VAL 2 HA VAL 2 -4.057 -0.291 12.760 9 HB VAL 2 HB VAL 2 -3.835 0.101 15.738 10 1HG1 VAL 2 1HG1 VAL 2 -2.010 -0.519 13.505 11 2HG1 VAL 2 2HG1 VAL 2 -1.429 0.759 14.599 12 3HG1 VAL 2 3HG1 VAL 2 -1.849 -0.845 15.248 13 1HG2 VAL 2 1HG2 VAL 2 -4.252 2.149 13.725 14 2HG2 VAL 2 2HG2 VAL 2 -4.128 2.301 15.494 15 3HG2 VAL 2 3HG2 VAL 2 -2.656 2.325 14.493 16 H THR 3 H THR 3 -6.216 -1.214 15.482 17 HA THR 3 HA THR 3 -5.284 -3.655 16.163 18 HB THR 3 HB THR 3 -8.148 -2.688 15.683 19 HG1 THR 3 HG1 THR 3 -7.633 -1.707 17.599 20 1HG2 THR 3 1HG2 THR 3 -7.640 -5.314 16.034 21 2HG2 THR 3 2HG2 THR 3 -7.395 -4.790 17.718 22 3HG2 THR 3 3HG2 THR 3 -8.960 -4.510 16.917 23 H ASN 4 H ASN 4 -7.013 -2.816 13.135 24 HA ASN 4 HA ASN 4 -7.091 -5.547 12.356 25 1HB ASN 4 1HB ASN 4 -7.389 -3.343 10.325 26 2HB ASN 4 2HB ASN 4 -8.361 -4.786 10.536 27 1HD2 ASN 4 2HD2 ASN 4 -8.830 -4.567 13.312 28 2HD2 ASN 4 1HD2 ASN 4 -9.914 -3.248 13.604 29 H ALA 5 H ALA 5 -5.336 -2.513 11.379 30 HA ALA 5 HA ALA 5 -3.827 -3.463 9.323 31 1HB ALA 5 1HB ALA 5 -2.869 -1.572 11.506 32 2HB ALA 5 2HB ALA 5 -2.332 -1.625 9.810 33 3HB ALA 5 3HB ALA 5 -3.988 -1.105 10.203 34 H GLU 6 H GLU 6 -3.158 -3.690 12.873 35 HA GLU 6 HA GLU 6 -0.680 -4.808 12.697 36 1HB GLU 6 1HB GLU 6 -1.407 -4.141 14.845 37 2HB GLU 6 2HB GLU 6 -2.919 -5.018 14.721 38 1HG GLU 6 1HG GLU 6 -1.393 -6.198 16.252 39 2HG GLU 6 2HG GLU 6 -1.690 -7.183 14.834 40 H LYS 7 H LYS 7 -3.924 -6.390 12.571 41 HA LYS 7 HA LYS 7 -3.041 -9.017 12.612 42 1HB LYS 7 1HB LYS 7 -5.346 -8.504 12.968 43 2HB LYS 7 2HB LYS 7 -5.489 -7.703 11.417 44 1HG LYS 7 1HG LYS 7 -4.655 -10.620 11.566 45 2HG LYS 7 2HG LYS 7 -6.348 -10.178 11.657 46 1HD LYS 7 1HD LYS 7 -5.278 -8.682 9.477 47 2HD LYS 7 2HD LYS 7 -4.608 -10.293 9.318 48 1HE LYS 7 1HE LYS 7 -7.106 -11.077 9.797 49 2HE LYS 7 2HE LYS 7 -7.516 -9.446 9.306 50 1HZ LYS 7 1HZ LYS 7 -5.791 -10.210 7.412 51 2HZ LYS 7 2HZ LYS 7 -6.563 -11.615 7.724 52 3HZ LYS 7 3HZ LYS 7 -7.416 -10.296 7.276 53 H LEU 8 H LEU 8 -3.804 -6.899 9.758 54 HA LEU 8 HA LEU 8 -3.159 -8.628 7.774 55 1HB LEU 8 1HB LEU 8 -2.799 -5.652 8.026 56 2HB LEU 8 2HB LEU 8 -2.408 -6.504 6.546 57 HG LEU 8 HG LEU 8 -5.086 -6.055 7.827 58 1HD1 LEU 8 1HD1 LEU 8 -3.671 -5.140 5.479 59 2HD1 LEU 8 2HD1 LEU 8 -5.218 -5.898 5.030 60 3HD1 LEU 8 3HD1 LEU 8 -5.191 -4.553 6.196 61 1HD2 LEU 8 1HD2 LEU 8 -4.284 -8.406 6.151 62 2HD2 LEU 8 2HD2 LEU 8 -5.396 -8.314 7.539 63 3HD2 LEU 8 3HD2 LEU 8 -5.903 -7.694 5.949 64 H VAL 9 H VAL 9 -0.899 -6.552 9.689 65 HA VAL 9 HA VAL 9 1.406 -7.257 8.308 66 HB VAL 9 HB VAL 9 1.030 -6.513 11.216 67 1HG1 VAL 9 1HG1 VAL 9 3.312 -7.494 10.180 68 2HG1 VAL 9 2HG1 VAL 9 3.501 -5.784 9.724 69 3HG1 VAL 9 3HG1 VAL 9 3.278 -6.230 11.432 70 1HG2 VAL 9 1HG2 VAL 9 0.200 -5.007 9.154 71 2HG2 VAL 9 2HG2 VAL 9 0.910 -4.312 10.632 72 3HG2 VAL 9 3HG2 VAL 9 1.914 -4.525 9.177 73 H TYR 10 H TYR 10 -0.086 -8.639 11.251 74 HA TYR 10 HA TYR 10 1.834 -10.776 11.474 75 1HB TYR 10 1HB TYR 10 0.296 -9.695 13.264 76 2HB TYR 10 2HB TYR 10 -0.955 -10.776 12.629 77 HD1 TYR 10 HD1 TYR 10 -0.816 -13.190 12.941 78 HD2 TYR 10 HD2 TYR 10 2.222 -10.571 14.478 79 HE1 TYR 10 HE1 TYR 10 0.052 -15.030 14.360 80 HE2 TYR 10 HE2 TYR 10 3.091 -12.410 15.897 81 HH TYR 10 HH TYR 10 1.456 -15.539 16.161 82 H LYS 11 H LYS 11 -0.526 -10.200 9.126 83 HA LYS 11 HA LYS 11 -1.169 -13.046 8.903 84 1HB LYS 11 1HB LYS 11 -2.758 -10.777 8.688 85 2HB LYS 11 2HB LYS 11 -2.470 -11.222 7.018 86 1HG LYS 11 1HG LYS 11 -4.409 -12.464 7.661 87 2HG LYS 11 2HG LYS 11 -3.102 -13.632 7.667 88 1HD LYS 11 1HD LYS 11 -2.989 -13.702 10.033 89 2HD LYS 11 2HD LYS 11 -3.753 -12.136 10.219 90 1HE LYS 11 1HE LYS 11 -5.929 -13.001 9.700 91 2HE LYS 11 2HE LYS 11 -5.276 -14.465 8.993 92 1HZ LYS 11 1HZ LYS 11 -4.400 -14.961 11.258 93 2HZ LYS 11 2HZ LYS 11 -5.308 -13.729 11.829 94 3HZ LYS 11 3HZ LYS 11 -6.027 -15.011 11.118 95 H TYR 12 H TYR 12 -0.625 -10.378 6.581 96 HA TYR 12 HA TYR 12 0.340 -11.919 4.476 97 1HB TYR 12 1HB TYR 12 1.001 -9.088 5.340 98 2HB TYR 12 2HB TYR 12 1.521 -9.782 3.796 99 HD1 TYR 12 HD1 TYR 12 -0.244 -10.575 2.153 100 HD2 TYR 12 HD2 TYR 12 -1.176 -8.210 5.616 101 HE1 TYR 12 HE1 TYR 12 -2.418 -9.946 1.138 102 HE2 TYR 12 HE2 TYR 12 -3.350 -7.581 4.601 103 HH TYR 12 HH TYR 12 -4.958 -8.470 2.853 104 H THR 13 H THR 13 1.932 -11.114 7.531 105 HA THR 13 HA THR 13 4.577 -11.563 6.510 106 HB THR 13 HB THR 13 3.365 -11.306 9.311 107 HG1 THR 13 HG1 THR 13 5.038 -9.634 7.571 108 1HG2 THR 13 1HG2 THR 13 5.631 -12.528 9.245 109 2HG2 THR 13 2HG2 THR 13 6.297 -11.070 8.472 110 3HG2 THR 13 3HG2 THR 13 5.637 -10.980 10.123 111 H ASN 14 H ASN 14 2.174 -13.462 8.427 112 HA ASN 14 HA ASN 14 3.813 -15.627 8.835 113 1HB ASN 14 1HB ASN 14 1.683 -15.411 10.019 114 2HB ASN 14 2HB ASN 14 0.779 -15.400 8.517 115 1HD2 ASN 14 2HD2 ASN 14 2.115 -17.262 11.009 116 2HD2 ASN 14 1HD2 ASN 14 1.790 -18.850 10.398 117 H ILE 15 H ILE 15 1.290 -14.995 6.279 118 HA ILE 15 HA ILE 15 1.534 -17.321 4.861 119 HB ILE 15 HB ILE 15 0.736 -14.524 4.211 120 1HG1 ILE 15 1HG1 ILE 15 -0.967 -16.869 3.595 121 2HG1 ILE 15 2HG1 ILE 15 -0.585 -16.644 5.290 122 1HG2 ILE 15 1HG2 ILE 15 1.622 -16.531 2.233 123 2HG2 ILE 15 2HG2 ILE 15 0.033 -15.793 1.919 124 3HG2 ILE 15 3HG2 ILE 15 1.473 -14.762 2.100 125 1HD1 ILE 15 1HD1 ILE 15 -1.572 -14.345 3.556 126 2HD1 ILE 15 2HD1 ILE 15 -2.686 -15.435 4.415 127 3HD1 ILE 15 3HD1 ILE 15 -1.531 -14.440 5.333 128 H ALA 16 H ALA 16 3.429 -14.254 4.473 129 HA ALA 16 HA ALA 16 4.992 -15.094 2.357 130 1HB ALA 16 1HB ALA 16 4.712 -12.800 3.679 131 2HB ALA 16 2HB ALA 16 6.156 -13.386 4.538 132 3HB ALA 16 3HB ALA 16 6.200 -13.163 2.773 133 H HIS 17 H HIS 17 5.650 -15.309 5.925 134 HA HIS 17 HA HIS 17 8.075 -16.623 5.656 135 1HB HIS 17 1HB HIS 17 7.339 -15.524 7.706 136 2HB HIS 17 2HB HIS 17 6.043 -16.687 7.903 137 HD1 HIS 17 HD1 HIS 17 9.866 -16.592 7.836 138 HD2 HIS 17 HD2 HIS 17 6.726 -18.932 9.339 139 HE1 HIS 17 HE1 HIS 17 10.944 -18.364 9.322 140 H SER 18 H SER 18 4.711 -17.772 5.510 141 HA SER 18 HA SER 18 5.385 -20.484 5.829 142 1HB SER 18 1HB SER 18 3.118 -19.594 6.282 143 2HB SER 18 2HB SER 18 2.927 -19.165 4.594 144 HG SER 18 HG SER 18 2.766 -21.692 5.847 145 H ALA 19 H ALA 19 5.873 -18.219 3.306 146 HA ALA 19 HA ALA 19 5.903 -20.350 1.285 147 1HB ALA 19 1HB ALA 19 4.545 -18.707 0.386 148 2HB ALA 19 2HB ALA 19 6.131 -18.144 -0.193 149 3HB ALA 19 3HB ALA 19 5.388 -17.391 1.238 150 H ASN 20 H ASN 20 7.753 -17.696 2.857 151 HA ASN 20 HA ASN 20 10.142 -19.000 1.838 152 1HB ASN 20 1HB ASN 20 9.362 -16.077 1.667 153 2HB ASN 20 2HB ASN 20 11.056 -16.466 1.895 154 1HD2 ASN 20 2HD2 ASN 20 10.717 -15.216 -0.286 155 2HD2 ASN 20 1HD2 ASN 20 10.685 -16.205 -1.707 156 HA PRO 21 HA PRO 21 10.261 -18.961 6.422 157 1HB PRO 21 1HB PRO 21 12.770 -20.479 5.699 158 2HB PRO 21 2HB PRO 21 11.449 -20.881 6.844 159 1HG PRO 21 1HG PRO 21 11.748 -21.947 4.627 160 2HG PRO 21 2HG PRO 21 10.014 -21.928 5.085 161 1HD PRO 21 1HD PRO 21 11.447 -20.399 2.984 162 2HD PRO 21 2HD PRO 21 9.685 -20.545 3.258 163 H MET 22 H MET 22 12.513 -17.830 3.919 164 HA MET 22 HA MET 22 14.427 -16.835 5.716 165 1HB MET 22 1HB MET 22 15.207 -15.569 3.672 166 2HB MET 22 2HB MET 22 14.929 -17.265 3.327 167 1HG MET 22 1HG MET 22 13.004 -16.843 2.058 168 2HG MET 22 2HG MET 22 12.608 -15.380 2.938 169 1HE MET 22 1HE MET 22 13.736 -13.289 2.858 170 2HE MET 22 2HE MET 22 15.486 -13.595 2.747 171 3HE MET 22 3HE MET 22 14.668 -12.639 1.488 172 H TYR 23 H TYR 23 11.330 -15.762 4.600 173 HA TYR 23 HA TYR 23 11.797 -12.981 5.490 174 1HB TYR 23 1HB TYR 23 10.640 -13.536 3.318 175 2HB TYR 23 2HB TYR 23 9.324 -14.245 4.268 176 HD1 TYR 23 HD1 TYR 23 7.823 -12.837 5.593 177 HD2 TYR 23 HD2 TYR 23 10.975 -11.130 3.225 178 HE1 TYR 23 HE1 TYR 23 6.770 -10.601 5.802 179 HE2 TYR 23 HE2 TYR 23 9.922 -8.895 3.435 180 HH TYR 23 HH TYR 23 8.269 -7.662 4.451 181 H GLU 24 H GLU 24 11.266 -12.344 7.560 182 HA GLU 24 HA GLU 24 9.358 -14.082 8.924 183 1HB GLU 24 1HB GLU 24 11.692 -12.491 10.075 184 2HB GLU 24 2HB GLU 24 10.510 -13.343 11.049 185 1HG GLU 24 1HG GLU 24 11.493 -15.148 9.004 186 2HG GLU 24 2HG GLU 24 12.867 -14.406 9.799 187 H ALA 25 H ALA 25 10.553 -10.716 8.434 188 HA ALA 25 HA ALA 25 7.891 -9.718 8.679 189 1HB ALA 25 1HB ALA 25 9.670 -9.736 11.011 190 2HB ALA 25 2HB ALA 25 9.145 -8.094 10.568 191 3HB ALA 25 3HB ALA 25 7.935 -9.354 10.906 192 HA PRO 26 HA PRO 26 9.594 -6.452 6.295 193 1HB PRO 26 1HB PRO 26 8.295 -4.323 7.878 194 2HB PRO 26 2HB PRO 26 7.857 -4.996 6.274 195 1HG PRO 26 1HG PRO 26 6.121 -5.601 8.546 196 2HG PRO 26 2HG PRO 26 6.522 -6.515 7.055 197 1HD PRO 26 1HD PRO 26 7.916 -6.603 9.802 198 2HD PRO 26 2HD PRO 26 7.126 -7.956 8.938 199 H SER 27 H SER 27 10.661 -4.040 6.552 200 HA SER 27 HA SER 27 12.192 -4.023 9.012 201 1HB SER 27 1HB SER 27 13.229 -4.743 6.394 202 2HB SER 27 2HB SER 27 13.989 -3.257 6.928 203 HG SER 27 HG SER 27 14.130 -4.638 9.096 204 H ILE 28 H ILE 28 9.967 -2.476 7.376 205 HA ILE 28 HA ILE 28 9.474 -0.382 6.778 206 HB ILE 28 HB ILE 28 9.975 1.267 8.601 207 1HG1 ILE 28 1HG1 ILE 28 11.288 -1.099 9.966 208 2HG1 ILE 28 2HG1 ILE 28 12.167 0.239 9.254 209 1HG2 ILE 28 1HG2 ILE 28 8.425 -1.196 8.711 210 2HG2 ILE 28 2HG2 ILE 28 8.856 -0.595 10.330 211 3HG2 ILE 28 3HG2 ILE 28 7.986 0.461 9.191 212 1HD1 ILE 28 1HD1 ILE 28 10.069 0.499 11.458 213 2HD1 ILE 28 2HD1 ILE 28 11.831 0.569 11.695 214 3HD1 ILE 28 3HD1 ILE 28 11.009 1.837 10.756 215 H THR 29 H THR 29 11.473 -1.158 5.135 216 HA THR 29 HA THR 29 12.755 1.323 4.562 217 HB THR 29 HB THR 29 14.344 -1.015 5.715 218 HG1 THR 29 HG1 THR 29 14.321 1.904 6.026 219 1HG2 THR 29 1HG2 THR 29 15.170 1.158 3.780 220 2HG2 THR 29 2HG2 THR 29 16.268 0.772 5.126 221 3HG2 THR 29 3HG2 THR 29 15.814 -0.492 3.957 222 H ASP 30 H ASP 30 10.819 -0.353 3.283 223 HA ASP 30 HA ASP 30 12.375 -0.898 0.906 224 1HB ASP 30 1HB ASP 30 12.040 -3.086 2.050 225 2HB ASP 30 2HB ASP 30 10.313 -2.800 2.116 226 H GLY 31 H GLY 31 9.106 -0.808 2.500 227 1HA GLY 31 1HA GLY 31 7.236 0.333 1.933 228 2HA GLY 31 2HA GLY 31 7.400 -0.549 0.428 229 H LYS 32 H LYS 32 9.349 2.149 1.897 230 HA LYS 32 HA LYS 32 8.386 4.218 0.420 231 1HB LYS 32 1HB LYS 32 10.797 5.126 0.692 232 2HB LYS 32 2HB LYS 32 9.838 4.802 2.123 233 1HG LYS 32 1HG LYS 32 11.382 3.317 2.859 234 2HG LYS 32 2HG LYS 32 11.179 2.352 1.410 235 1HD LYS 32 1HD LYS 32 13.112 3.133 0.477 236 2HD LYS 32 2HD LYS 32 12.749 4.796 0.896 237 1HE LYS 32 1HE LYS 32 13.284 3.651 3.390 238 2HE LYS 32 2HE LYS 32 14.410 2.814 2.341 239 1HZ LYS 32 1HZ LYS 32 15.163 4.958 1.547 240 2HZ LYS 32 2HZ LYS 32 14.123 5.732 2.540 241 3HZ LYS 32 3HZ LYS 32 15.344 4.846 3.166 242 H ILE 33 H ILE 33 11.501 2.558 -0.436 243 HA ILE 33 HA ILE 33 11.665 3.555 -2.977 244 HB ILE 33 HB ILE 33 12.697 1.088 -1.634 245 1HG1 ILE 33 1HG1 ILE 33 14.424 3.155 -2.905 246 2HG1 ILE 33 2HG1 ILE 33 13.507 3.650 -1.496 247 1HG2 ILE 33 1HG2 ILE 33 12.522 1.537 -4.536 248 2HG2 ILE 33 2HG2 ILE 33 14.161 1.179 -3.940 249 3HG2 ILE 33 3HG2 ILE 33 12.828 0.046 -3.613 250 1HD1 ILE 33 1HD1 ILE 33 14.573 1.068 -0.887 251 2HD1 ILE 33 2HD1 ILE 33 15.892 2.016 -1.614 252 3HD1 ILE 33 3HD1 ILE 33 15.038 2.633 -0.179 253 H PHE 34 H PHE 34 9.941 0.612 -1.802 254 HA PHE 34 HA PHE 34 9.190 -0.280 -4.347 255 1HB PHE 34 1HB PHE 34 9.101 -1.709 -2.350 256 2HB PHE 34 2HB PHE 34 8.118 -0.544 -1.486 257 HD1 PHE 34 HD1 PHE 34 5.902 -1.089 -1.223 258 HD2 PHE 34 HD2 PHE 34 7.932 -2.492 -4.675 259 HE1 PHE 34 HE1 PHE 34 3.828 -2.300 -1.951 260 HE2 PHE 34 HE2 PHE 34 5.858 -3.703 -5.403 261 HZ PHE 34 HZ PHE 34 3.830 -3.593 -4.033 262 H PHE 35 H PHE 35 8.198 2.476 -2.526 263 HA PHE 35 HA PHE 35 5.671 2.578 -4.012 264 1HB PHE 35 1HB PHE 35 5.580 2.663 -1.489 265 2HB PHE 35 2HB PHE 35 6.720 3.995 -1.489 266 HD1 PHE 35 HD1 PHE 35 3.369 3.091 -2.861 267 HD2 PHE 35 HD2 PHE 35 5.904 6.156 -1.384 268 HE1 PHE 35 HE1 PHE 35 1.463 4.721 -2.973 269 HE2 PHE 35 HE2 PHE 35 3.999 7.787 -1.496 270 HZ PHE 35 HZ PHE 35 1.801 7.049 -2.289 271 H ASN 36 H ASN 36 8.769 3.469 -4.447 272 HA ASN 36 HA ASN 36 7.936 5.931 -5.728 273 1HB ASN 36 1HB ASN 36 10.407 5.570 -3.956 274 2HB ASN 36 2HB ASN 36 10.209 6.929 -5.045 275 1HD2 ASN 36 2HD2 ASN 36 8.463 5.141 -2.512 276 2HD2 ASN 36 1HD2 ASN 36 7.741 6.508 -1.733 277 H ARG 37 H ARG 37 8.585 3.013 -6.458 278 HA ARG 37 HA ARG 37 11.050 3.369 -7.912 279 1HB ARG 37 1HB ARG 37 10.719 1.254 -6.646 280 2HB ARG 37 2HB ARG 37 9.248 0.924 -7.539 281 1HG ARG 37 1HG ARG 37 10.468 -0.119 -9.136 282 2HG ARG 37 2HG ARG 37 11.260 1.400 -9.507 283 1HD ARG 37 1HD ARG 37 13.207 0.651 -8.610 284 2HD ARG 37 2HD ARG 37 12.424 0.356 -7.071 285 HE ARG 37 HE ARG 37 13.162 -1.645 -8.989 286 1HH1 ARG 37 1HH1 ARG 37 12.501 -3.814 -8.711 287 2HH1 ARG 37 2HH1 ARG 37 11.161 -4.185 -7.679 288 1HH2 ARG 37 1HH2 ARG 37 10.538 -0.834 -6.790 289 2HH2 ARG 37 2HH2 ARG 37 10.037 -2.479 -6.578 290 H LYS 38 H LYS 38 10.728 4.484 -9.836 291 HA LYS 38 HA LYS 38 8.320 4.564 -11.217 292 1HB LYS 38 1HB LYS 38 9.962 6.284 -11.505 293 2HB LYS 38 2HB LYS 38 11.171 5.141 -12.053 294 1HG LYS 38 1HG LYS 38 9.394 4.569 -13.939 295 2HG LYS 38 2HG LYS 38 8.700 6.121 -13.510 296 1HD LYS 38 1HD LYS 38 11.659 5.798 -14.164 297 2HD LYS 38 2HD LYS 38 10.462 6.113 -15.404 298 1HE LYS 38 1HE LYS 38 11.196 7.891 -13.041 299 2HE LYS 38 2HE LYS 38 11.365 8.258 -14.746 300 1HZ LYS 38 1HZ LYS 38 8.772 7.748 -14.578 301 2HZ LYS 38 2HZ LYS 38 9.029 8.377 -13.093 302 3HZ LYS 38 3HZ LYS 38 9.410 9.243 -14.424 303 H PHE 39 H PHE 39 7.468 2.433 -11.393 304 HA PHE 39 HA PHE 39 9.032 0.615 -13.059 305 1HB PHE 39 1HB PHE 39 7.327 -1.030 -12.208 306 2HB PHE 39 2HB PHE 39 8.080 -0.179 -10.874 307 HD1 PHE 39 HD1 PHE 39 5.060 -0.131 -13.042 308 HD2 PHE 39 HD2 PHE 39 6.766 0.951 -9.310 309 HE1 PHE 39 HE1 PHE 39 2.798 0.570 -12.211 310 HE2 PHE 39 HE2 PHE 39 4.504 1.652 -8.479 311 HZ PHE 39 HZ PHE 39 2.547 1.454 -9.940 312 H LYS 40 H LYS 40 7.977 -0.512 -14.866 313 HA LYS 40 HA LYS 40 5.954 1.214 -16.098 314 1HB LYS 40 1HB LYS 40 8.251 0.841 -17.180 315 2HB LYS 40 2HB LYS 40 7.716 -0.794 -17.513 316 1HG LYS 40 1HG LYS 40 6.154 -0.122 -19.089 317 2HG LYS 40 2HG LYS 40 5.788 1.375 -18.254 318 1HD LYS 40 1HD LYS 40 7.590 2.527 -19.220 319 2HD LYS 40 2HD LYS 40 8.541 1.073 -19.450 320 1HE LYS 40 1HE LYS 40 5.978 1.117 -20.973 321 2HE LYS 40 2HE LYS 40 7.123 2.355 -21.450 322 1HZ LYS 40 1HZ LYS 40 8.726 0.289 -21.309 323 2HZ LYS 40 2HZ LYS 40 7.347 -0.508 -21.670 324 3HZ LYS 40 3HZ LYS 40 7.899 0.660 -22.668 325 H THR 41 H THR 41 3.999 0.370 -16.828 326 HA THR 41 HA THR 41 3.269 -2.156 -15.625 327 HB THR 41 HB THR 41 0.999 -1.424 -16.248 328 HG1 THR 41 HG1 THR 41 2.239 0.887 -17.482 329 1HG2 THR 41 1HG2 THR 41 2.827 0.832 -15.300 330 2HG2 THR 41 2HG2 THR 41 1.069 1.052 -15.471 331 3HG2 THR 41 3HG2 THR 41 1.708 -0.148 -14.322 332 HA PRO 42 HA PRO 42 3.681 -4.840 -18.994 333 1HB PRO 42 1HB PRO 42 1.406 -6.388 -18.693 334 2HB PRO 42 2HB PRO 42 2.821 -6.473 -17.594 335 1HG PRO 42 1HG PRO 42 0.096 -4.882 -16.732 336 2HG PRO 42 2HG PRO 42 1.313 -6.141 -16.342 337 1HD PRO 42 1HD PRO 42 1.504 -3.296 -15.896 338 2HD PRO 42 2HD PRO 42 2.822 -4.496 -15.730 339 H SER 43 H SER 43 1.193 -2.447 -18.770 340 HA SER 43 HA SER 43 0.160 -3.225 -21.369 341 1HB SER 43 1HB SER 43 -1.784 -2.056 -20.859 342 2HB SER 43 2HB SER 43 -1.288 -2.554 -19.254 343 HG SER 43 HG SER 43 -0.799 0.022 -20.488 344 H GLY 44 H GLY 44 2.889 -2.120 -20.966 345 1HA GLY 44 1HA GLY 44 3.079 -0.361 -23.067 346 2HA GLY 44 2HA GLY 44 4.258 -0.533 -21.783 347 H LYS 45 H LYS 45 3.876 0.724 -19.715 348 HA LYS 45 HA LYS 45 3.436 3.405 -20.298 349 1HB LYS 45 1HB LYS 45 1.058 2.674 -20.476 350 2HB LYS 45 2HB LYS 45 1.113 2.153 -18.805 351 1HG LYS 45 1HG LYS 45 1.490 4.402 -18.006 352 2HG LYS 45 2HG LYS 45 1.858 4.993 -19.615 353 1HD LYS 45 1HD LYS 45 -0.326 5.593 -19.781 354 2HD LYS 45 2HD LYS 45 -0.703 3.887 -19.917 355 1HE LYS 45 1HE LYS 45 -2.041 4.462 -18.091 356 2HE LYS 45 2HE LYS 45 -0.592 3.934 -17.259 357 1HZ LYS 45 1HZ LYS 45 -0.294 6.615 -17.917 358 2HZ LYS 45 2HZ LYS 45 -1.756 6.441 -17.210 359 3HZ LYS 45 3HZ LYS 45 -0.408 5.948 -16.431 360 H GLU 46 H GLU 46 4.436 4.620 -18.727 361 HA GLU 46 HA GLU 46 5.533 3.087 -16.559 362 1HB GLU 46 1HB GLU 46 6.779 4.806 -18.097 363 2HB GLU 46 2HB GLU 46 6.050 6.031 -17.078 364 1HG GLU 46 1HG GLU 46 7.841 3.744 -16.130 365 2HG GLU 46 2HG GLU 46 8.300 5.432 -16.241 366 H ALA 47 H ALA 47 5.049 3.358 -14.370 367 HA ALA 47 HA ALA 47 3.416 5.602 -13.569 368 1HB ALA 47 1HB ALA 47 2.323 2.925 -14.104 369 2HB ALA 47 2HB ALA 47 1.479 4.470 -13.838 370 3HB ALA 47 3HB ALA 47 2.001 3.489 -12.447 371 H ALA 48 H ALA 48 2.881 5.187 -11.045 372 HA ALA 48 HA ALA 48 4.810 3.580 -9.694 373 1HB ALA 48 1HB ALA 48 5.282 6.330 -8.844 374 2HB ALA 48 2HB ALA 48 6.451 5.074 -9.318 375 3HB ALA 48 3HB ALA 48 5.696 6.102 -10.560 376 H CYS 49 H CYS 49 4.412 3.563 -7.369 377 HA CYS 49 HA CYS 49 1.704 3.845 -6.774 378 1HB CYS 49 1HB CYS 49 4.004 3.608 -4.825 379 2HB CYS 49 2HB CYS 49 2.318 3.257 -4.502 380 H ALA 50 H ALA 50 4.259 6.130 -7.041 381 HA ALA 50 HA ALA 50 2.969 7.973 -5.165 382 1HB ALA 50 1HB ALA 50 5.309 7.766 -4.748 383 2HB ALA 50 2HB ALA 50 5.110 9.305 -5.621 384 3HB ALA 50 3HB ALA 50 5.703 7.864 -6.482 385 H SER 51 H SER 51 2.471 6.983 -8.223 386 HA SER 51 HA SER 51 2.594 9.488 -9.559 387 1HB SER 51 1HB SER 51 1.647 8.293 -11.455 388 2HB SER 51 2HB SER 51 2.879 7.286 -10.720 389 HG SER 51 HG SER 51 0.067 6.932 -10.814 390 H CYS 52 H CYS 52 0.249 7.622 -7.666 391 HA CYS 52 HA CYS 52 -1.759 9.665 -8.288 392 1HB CYS 52 1HB CYS 52 -2.162 6.748 -7.557 393 2HB CYS 52 2HB CYS 52 -3.454 7.930 -7.605 394 H HIS 53 H HIS 53 -0.412 7.417 -5.884 395 HA HIS 53 HA HIS 53 -1.614 8.870 -3.621 396 1HB HIS 53 1HB HIS 53 0.348 6.511 -3.688 397 2HB HIS 53 2HB HIS 53 -0.598 7.108 -2.257 398 HD1 HIS 53 HD1 HIS 53 -3.319 7.059 -2.849 399 HD2 HIS 53 HD2 HIS 53 -0.818 4.325 -4.784 400 HE1 HIS 53 HE1 HIS 53 -4.837 5.133 -3.642 401 H THR 54 H THR 54 0.645 9.903 -5.631 402 HA THR 54 HA THR 54 2.499 11.139 -5.515 403 HB THR 54 HB THR 54 2.441 12.822 -3.640 404 HG1 THR 54 HG1 THR 54 1.722 11.616 -1.868 405 1HG2 THR 54 1HG2 THR 54 -0.306 12.044 -4.752 406 2HG2 THR 54 2HG2 THR 54 0.038 13.568 -3.899 407 3HG2 THR 54 3HG2 THR 54 0.818 13.228 -5.463 408 H ASN 55 H ASN 55 4.550 11.718 -4.192 409 HA ASN 55 HA ASN 55 5.897 9.429 -3.737 410 1HB ASN 55 1HB ASN 55 7.559 10.880 -2.491 411 2HB ASN 55 2HB ASN 55 7.044 11.581 -4.012 412 1HD2 ASN 55 2HD2 ASN 55 5.895 13.437 -4.068 413 2HD2 ASN 55 1HD2 ASN 55 5.517 14.411 -2.686 414 H ASN 56 H ASN 56 3.666 11.195 -1.642 415 HA ASN 56 HA ASN 56 4.255 9.273 0.466 416 1HB ASN 56 1HB ASN 56 4.830 11.926 0.745 417 2HB ASN 56 2HB ASN 56 3.141 11.976 1.208 418 1HD2 ASN 56 2HD2 ASN 56 3.384 12.365 3.331 419 2HD2 ASN 56 1HD2 ASN 56 4.103 11.278 4.472 420 HA PRO 57 HA PRO 57 -0.100 8.503 -0.225 421 1HB PRO 57 1HB PRO 57 -0.438 6.629 1.726 422 2HB PRO 57 2HB PRO 57 0.547 6.306 0.262 423 1HG PRO 57 1HG PRO 57 1.702 7.093 3.013 424 2HG PRO 57 2HG PRO 57 2.027 5.788 1.825 425 1HD PRO 57 1HD PRO 57 3.385 8.230 1.904 426 2HD PRO 57 2HD PRO 57 3.163 7.273 0.408 427 H ALA 58 H ALA 58 1.281 9.197 3.072 428 HA ALA 58 HA ALA 58 -1.146 9.777 4.296 429 1HB ALA 58 1HB ALA 58 1.752 10.410 4.746 430 2HB ALA 58 2HB ALA 58 0.542 11.327 5.676 431 3HB ALA 58 3HB ALA 58 0.596 9.552 5.792 432 H ASN 59 H ASN 59 0.529 11.388 1.739 433 HA ASN 59 HA ASN 59 -0.571 13.952 2.411 434 1HB ASN 59 1HB ASN 59 1.723 13.356 1.171 435 2HB ASN 59 2HB ASN 59 0.713 13.279 -0.259 436 1HD2 ASN 59 2HD2 ASN 59 2.780 15.114 0.121 437 2HD2 ASN 59 1HD2 ASN 59 2.135 16.720 0.189 438 H VAL 60 H VAL 60 -1.644 15.113 0.300 439 HA VAL 60 HA VAL 60 -3.945 13.540 -0.324 440 HB VAL 60 HB VAL 60 -3.021 16.308 -1.107 441 1HG1 VAL 60 1HG1 VAL 60 -4.891 14.765 -2.482 442 2HG1 VAL 60 2HG1 VAL 60 -5.876 15.787 -1.408 443 3HG1 VAL 60 3HG1 VAL 60 -4.725 16.537 -2.540 444 1HG2 VAL 60 1HG2 VAL 60 -3.959 15.383 1.315 445 2HG2 VAL 60 2HG2 VAL 60 -4.034 17.069 0.749 446 3HG2 VAL 60 3HG2 VAL 60 -5.438 15.996 0.537 447 H GLY 61 H GLY 61 -4.363 12.359 -2.141 448 1HA GLY 61 1HA GLY 61 -3.407 11.034 -3.836 449 2HA GLY 61 2HA GLY 61 -2.234 12.292 -4.171 450 H LYS 62 H LYS 62 -3.457 11.351 -6.370 451 HA LYS 62 HA LYS 62 -5.909 12.696 -6.924 452 1HB LYS 62 1HB LYS 62 -4.580 14.665 -7.082 453 2HB LYS 62 2HB LYS 62 -3.318 13.844 -7.978 454 1HG LYS 62 1HG LYS 62 -4.936 13.460 -9.867 455 2HG LYS 62 2HG LYS 62 -6.168 14.328 -8.973 456 1HD LYS 62 1HD LYS 62 -4.532 16.322 -8.894 457 2HD LYS 62 2HD LYS 62 -3.536 15.443 -10.038 458 1HE LYS 62 1HE LYS 62 -6.429 15.639 -10.769 459 2HE LYS 62 2HE LYS 62 -5.561 17.161 -10.760 460 1HZ LYS 62 1HZ LYS 62 -3.883 16.079 -12.168 461 2HZ LYS 62 2HZ LYS 62 -4.825 14.748 -12.262 462 3HZ LYS 62 3HZ LYS 62 -5.351 16.166 -12.879 463 H ASN 63 H ASN 63 -6.954 11.695 -8.621 464 HA ASN 63 HA ASN 63 -5.619 9.380 -9.623 465 1HB ASN 63 1HB ASN 63 -8.433 10.524 -9.858 466 2HB ASN 63 2HB ASN 63 -7.946 9.177 -10.868 467 1HD2 ASN 63 2HD2 ASN 63 -9.994 8.889 -9.128 468 2HD2 ASN 63 1HD2 ASN 63 -9.573 7.841 -7.815 469 H ILE 64 H ILE 64 -4.665 9.254 -11.677 470 HA ILE 64 HA ILE 64 -4.708 11.634 -13.301 471 HB ILE 64 HB ILE 64 -2.907 10.699 -14.449 472 1HG1 ILE 64 1HG1 ILE 64 -3.592 7.984 -13.286 473 2HG1 ILE 64 2HG1 ILE 64 -3.966 8.503 -14.918 474 1HG2 ILE 64 1HG2 ILE 64 -2.449 11.356 -12.097 475 2HG2 ILE 64 2HG2 ILE 64 -2.639 9.651 -11.620 476 3HG2 ILE 64 3HG2 ILE 64 -1.328 10.125 -12.726 477 1HD1 ILE 64 1HD1 ILE 64 -1.174 9.062 -14.410 478 2HD1 ILE 64 2HD1 ILE 64 -1.520 7.376 -13.955 479 3HD1 ILE 64 3HD1 ILE 64 -1.884 7.946 -15.601 480 H VAL 65 H VAL 65 -6.955 9.338 -12.839 481 HA VAL 65 HA VAL 65 -7.426 8.665 -15.613 482 HB VAL 65 HB VAL 65 -8.848 8.035 -13.023 483 1HG1 VAL 65 1HG1 VAL 65 -9.517 7.167 -15.853 484 2HG1 VAL 65 2HG1 VAL 65 -10.176 6.408 -14.384 485 3HG1 VAL 65 3HG1 VAL 65 -10.536 8.114 -14.742 486 1HG2 VAL 65 1HG2 VAL 65 -6.528 6.975 -14.061 487 2HG2 VAL 65 2HG2 VAL 65 -7.618 6.156 -12.917 488 3HG2 VAL 65 3HG2 VAL 65 -7.766 5.847 -14.664 489 H THR 66 H THR 66 -9.081 10.492 -12.946 490 HA THR 66 HA THR 66 -10.589 11.901 -15.047 491 HB THR 66 HB THR 66 -12.264 12.266 -13.216 492 HG1 THR 66 HG1 THR 66 -11.714 11.308 -11.161 493 1HG2 THR 66 1HG2 THR 66 -12.281 10.053 -14.557 494 2HG2 THR 66 2HG2 THR 66 -11.408 9.332 -13.184 495 3HG2 THR 66 3HG2 THR 66 -13.047 9.988 -12.952 496 H GLY 67 H GLY 67 -8.450 12.209 -12.217 497 1HA GLY 67 1HA GLY 67 -7.753 14.879 -13.059 498 2HA GLY 67 2HA GLY 67 -7.054 13.946 -11.750 499 H LYS 68 H LYS 68 -9.605 13.288 -10.414 500 HA LYS 68 HA LYS 68 -10.811 15.830 -9.800 501 1HB LYS 68 1HB LYS 68 -11.319 12.962 -9.066 502 2HB LYS 68 2HB LYS 68 -12.017 14.235 -8.085 503 1HG LYS 68 1HG LYS 68 -12.774 15.250 -10.419 504 2HG LYS 68 2HG LYS 68 -12.503 13.624 -11.013 505 1HD LYS 68 1HD LYS 68 -13.972 12.895 -8.932 506 2HD LYS 68 2HD LYS 68 -14.499 14.566 -8.933 507 1HE LYS 68 1HE LYS 68 -15.183 14.336 -11.341 508 2HE LYS 68 2HE LYS 68 -14.683 12.656 -11.314 509 1HZ LYS 68 1HZ LYS 68 -16.328 12.985 -9.153 510 2HZ LYS 68 2HZ LYS 68 -17.067 13.785 -10.370 511 3HZ LYS 68 3HZ LYS 68 -16.681 12.208 -10.546 512 H GLU 69 H GLU 69 -10.106 13.458 -7.252 513 HA GLU 69 HA GLU 69 -7.799 14.589 -6.278 514 1HB GLU 69 1HB GLU 69 -8.476 16.098 -4.564 515 2HB GLU 69 2HB GLU 69 -9.382 16.589 -5.982 516 1HG GLU 69 1HG GLU 69 -11.335 15.203 -5.162 517 2HG GLU 69 2HG GLU 69 -10.428 14.836 -3.709 518 H ILE 70 H ILE 70 -6.970 13.011 -4.968 519 HA ILE 70 HA ILE 70 -8.923 11.228 -3.694 520 HB ILE 70 HB ILE 70 -6.100 10.663 -4.606 521 1HG1 ILE 70 1HG1 ILE 70 -8.079 11.000 -6.314 522 2HG1 ILE 70 2HG1 ILE 70 -6.912 9.707 -6.514 523 1HG2 ILE 70 1HG2 ILE 70 -8.095 9.097 -3.025 524 2HG2 ILE 70 2HG2 ILE 70 -7.059 8.239 -4.190 525 3HG2 ILE 70 3HG2 ILE 70 -6.324 9.185 -2.874 526 1HD1 ILE 70 1HD1 ILE 70 -9.221 9.004 -4.774 527 2HD1 ILE 70 2HD1 ILE 70 -9.636 9.337 -6.473 528 3HD1 ILE 70 3HD1 ILE 70 -8.452 8.068 -6.079 529 HA PRO 71 HA PRO 71 -7.578 13.479 -0.062 530 1HB PRO 71 1HB PRO 71 -9.364 11.369 1.140 531 2HB PRO 71 2HB PRO 71 -9.379 13.154 1.317 532 1HG PRO 71 1HG PRO 71 -11.097 11.875 -0.083 533 2HG PRO 71 2HG PRO 71 -10.716 13.538 -0.639 534 1HD PRO 71 1HD PRO 71 -9.945 10.878 -1.790 535 2HD PRO 71 2HD PRO 71 -9.973 12.486 -2.576 536 HA PRO 72 HA PRO 72 -4.346 11.204 1.822 537 1HB PRO 72 1HB PRO 72 -5.451 10.808 4.448 538 2HB PRO 72 2HB PRO 72 -4.395 12.146 3.889 539 1HG PRO 72 1HG PRO 72 -7.332 12.031 4.071 540 2HG PRO 72 2HG PRO 72 -6.475 13.561 4.446 541 1HD PRO 72 1HD PRO 72 -7.642 13.424 2.099 542 2HD PRO 72 2HD PRO 72 -5.899 13.827 2.069 543 H LEU 73 H LEU 73 -3.882 9.025 1.503 544 HA LEU 73 HA LEU 73 -6.147 7.196 1.753 545 1HB LEU 73 1HB LEU 73 -4.685 7.519 -0.366 546 2HB LEU 73 2HB LEU 73 -3.500 6.554 0.491 547 HG LEU 73 HG LEU 73 -5.499 4.868 0.791 548 1HD1 LEU 73 1HD1 LEU 73 -7.220 6.371 -0.107 549 2HD1 LEU 73 2HD1 LEU 73 -6.382 6.389 -1.678 550 3HD1 LEU 73 3HD1 LEU 73 -7.082 4.873 -1.059 551 1HD2 LEU 73 1HD2 LEU 73 -3.484 5.265 -1.282 552 2HD2 LEU 73 2HD2 LEU 73 -3.961 3.790 -0.408 553 3HD2 LEU 73 3HD2 LEU 73 -4.873 4.306 -1.847 554 H ALA 74 H ALA 74 -3.129 8.173 3.232 555 HA ALA 74 HA ALA 74 -2.082 6.022 4.385 556 1HB ALA 74 1HB ALA 74 -1.065 7.945 5.102 557 2HB ALA 74 2HB ALA 74 -2.604 8.823 5.277 558 3HB ALA 74 3HB ALA 74 -2.090 7.669 6.531 559 HA PRO 75 HA PRO 75 -5.833 4.168 6.074 560 1HB PRO 75 1HB PRO 75 -4.009 1.816 6.258 561 2HB PRO 75 2HB PRO 75 -5.552 2.024 5.368 562 1HG PRO 75 1HG PRO 75 -3.146 1.919 3.904 563 2HG PRO 75 2HG PRO 75 -4.673 2.819 3.628 564 1HD PRO 75 1HD PRO 75 -2.085 3.751 5.005 565 2HD PRO 75 2HD PRO 75 -2.942 4.517 3.634 566 H ARG 76 H ARG 76 -4.599 5.921 7.801 567 HA ARG 76 HA ARG 76 -4.699 4.470 10.183 568 1HB ARG 76 1HB ARG 76 -2.303 3.983 9.312 569 2HB ARG 76 2HB ARG 76 -1.957 5.677 9.597 570 1HG ARG 76 1HG ARG 76 -3.153 4.926 11.996 571 2HG ARG 76 2HG ARG 76 -2.294 3.465 11.549 572 1HD ARG 76 1HD ARG 76 -0.182 4.766 11.290 573 2HD ARG 76 2HD ARG 76 -1.031 6.248 11.680 574 HE ARG 76 HE ARG 76 -1.562 4.486 13.813 575 1HH1 ARG 76 1HH1 ARG 76 -0.363 4.503 15.758 576 2HH1 ARG 76 2HH1 ARG 76 1.246 5.145 15.778 577 1HH2 ARG 76 1HH2 ARG 76 1.273 5.975 12.355 578 2HH2 ARG 76 2HH2 ARG 76 2.182 5.988 13.829 579 H VAL 77 H VAL 77 -3.208 7.398 8.621 580 HA VAL 77 HA VAL 77 -3.415 9.146 10.711 581 HB VAL 77 HB VAL 77 -3.599 9.457 7.726 582 1HG1 VAL 77 1HG1 VAL 77 -3.806 11.617 9.833 583 2HG1 VAL 77 2HG1 VAL 77 -3.202 11.945 8.191 584 3HG1 VAL 77 3HG1 VAL 77 -4.856 11.330 8.425 585 1HG2 VAL 77 1HG2 VAL 77 -1.473 8.931 9.340 586 2HG2 VAL 77 2HG2 VAL 77 -1.362 9.786 7.783 587 3HG2 VAL 77 3HG2 VAL 77 -1.428 10.710 9.303 588 H ASN 78 H ASN 78 -5.936 8.060 8.389 589 HA ASN 78 HA ASN 78 -7.824 9.768 9.767 590 1HB ASN 78 1HB ASN 78 -8.485 7.953 7.414 591 2HB ASN 78 2HB ASN 78 -9.274 9.446 7.882 592 1HD2 ASN 78 2HD2 ASN 78 -8.716 9.379 5.377 593 2HD2 ASN 78 1HD2 ASN 78 -7.320 10.299 4.926 594 H THR 79 H THR 79 -9.724 8.831 10.808 595 HA THR 79 HA THR 79 -9.325 6.082 11.654 596 HB THR 79 HB THR 79 -10.876 6.690 13.408 597 HG1 THR 79 HG1 THR 79 -11.360 9.079 11.781 598 1HG2 THR 79 1HG2 THR 79 -8.655 8.377 12.875 599 2HG2 THR 79 2HG2 THR 79 -10.013 9.486 13.178 600 3HG2 THR 79 3HG2 THR 79 -9.561 8.277 14.403 601 H LYS 80 H LYS 80 -10.587 7.412 8.934 602 HA LYS 80 HA LYS 80 -12.787 5.466 8.876 603 1HB LYS 80 1HB LYS 80 -12.467 8.191 7.638 604 2HB LYS 80 2HB LYS 80 -13.521 7.006 6.894 605 1HG LYS 80 1HG LYS 80 -14.158 6.868 9.645 606 2HG LYS 80 2HG LYS 80 -13.928 8.579 9.343 607 1HD LYS 80 1HD LYS 80 -15.503 7.157 7.248 608 2HD LYS 80 2HD LYS 80 -16.264 7.195 8.826 609 1HE LYS 80 1HE LYS 80 -17.010 9.184 7.708 610 2HE LYS 80 2HE LYS 80 -15.817 9.724 8.872 611 1HZ LYS 80 1HZ LYS 80 -14.262 9.293 6.816 612 2HZ LYS 80 2HZ LYS 80 -15.635 9.621 5.996 613 3HZ LYS 80 3HZ LYS 80 -15.026 10.719 7.040 614 H ARG 81 H ARG 81 -10.145 4.558 8.583 615 HA ARG 81 HA ARG 81 -10.304 3.740 5.825 616 1HB ARG 81 1HB ARG 81 -7.803 4.932 7.120 617 2HB ARG 81 2HB ARG 81 -7.760 4.019 5.625 618 1HG ARG 81 1HG ARG 81 -9.722 6.301 5.817 619 2HG ARG 81 2HG ARG 81 -8.024 6.699 5.644 620 1HD ARG 81 1HD ARG 81 -7.905 5.216 3.608 621 2HD ARG 81 2HD ARG 81 -9.618 4.882 3.770 622 HE ARG 81 HE ARG 81 -8.397 7.422 2.881 623 1HH1 ARG 81 1HH1 ARG 81 -9.806 8.977 1.977 624 2HH1 ARG 81 2HH1 ARG 81 -11.521 8.782 2.125 625 1HH2 ARG 81 1HH2 ARG 81 -11.319 5.763 3.928 626 2HH2 ARG 81 2HH2 ARG 81 -12.387 6.942 3.242 627 H PHE 82 H PHE 82 -9.017 1.709 5.424 628 HA PHE 82 HA PHE 82 -8.613 -0.392 5.995 629 1HB PHE 82 1HB PHE 82 -6.944 1.445 7.675 630 2HB PHE 82 2HB PHE 82 -7.040 -0.183 8.319 631 HD1 PHE 82 HD1 PHE 82 -4.556 -0.227 7.943 632 HD2 PHE 82 HD2 PHE 82 -7.322 0.054 4.737 633 HE1 PHE 82 HE1 PHE 82 -2.772 -0.966 6.340 634 HE2 PHE 82 HE2 PHE 82 -5.538 -0.685 3.134 635 HZ PHE 82 HZ PHE 82 -3.284 -1.187 3.954 636 H THR 83 H THR 83 -11.124 0.483 6.997 637 HA THR 83 HA THR 83 -11.215 -0.936 9.580 638 HB THR 83 HB THR 83 -12.885 1.392 8.494 639 HG1 THR 83 HG1 THR 83 -11.109 0.943 10.790 640 1HG2 THR 83 1HG2 THR 83 -13.110 -0.310 11.019 641 2HG2 THR 83 2HG2 THR 83 -13.710 1.365 10.959 642 3HG2 THR 83 3HG2 THR 83 -14.405 0.131 9.881 643 H ASP 84 H ASP 84 -11.114 -2.508 7.346 644 HA ASP 84 HA ASP 84 -13.519 -3.877 7.603 645 1HB ASP 84 1HB ASP 84 -14.420 -2.148 6.102 646 2HB ASP 84 2HB ASP 84 -13.086 -2.364 4.987 647 H ILE 85 H ILE 85 -11.329 -5.098 8.088 648 HA ILE 85 HA ILE 85 -9.424 -5.740 6.312 649 HB ILE 85 HB ILE 85 -10.812 -7.493 8.335 650 1HG1 ILE 85 1HG1 ILE 85 -8.151 -6.061 8.520 651 2HG1 ILE 85 2HG1 ILE 85 -9.658 -5.359 9.074 652 1HG2 ILE 85 1HG2 ILE 85 -9.531 -8.707 6.447 653 2HG2 ILE 85 2HG2 ILE 85 -8.071 -8.054 7.228 654 3HG2 ILE 85 3HG2 ILE 85 -9.165 -9.121 8.139 655 1HD1 ILE 85 1HD1 ILE 85 -8.999 -8.146 10.007 656 2HD1 ILE 85 2HD1 ILE 85 -8.099 -6.785 10.720 657 3HD1 ILE 85 3HD1 ILE 85 -9.874 -6.846 10.852 658 H ASP 86 H ASP 86 -12.676 -7.322 6.562 659 HA ASP 86 HA ASP 86 -12.502 -9.258 4.804 660 1HB ASP 86 1HB ASP 86 -14.745 -7.216 4.551 661 2HB ASP 86 2HB ASP 86 -14.849 -8.947 4.305 662 H LYS 87 H LYS 87 -13.277 -5.805 3.905 663 HA LYS 87 HA LYS 87 -12.494 -6.428 1.156 664 1HB LYS 87 1HB LYS 87 -14.437 -4.589 2.421 665 2HB LYS 87 2HB LYS 87 -13.549 -3.913 1.071 666 1HG LYS 87 1HG LYS 87 -15.134 -4.952 -0.212 667 2HG LYS 87 2HG LYS 87 -14.163 -6.388 0.049 668 1HD LYS 87 1HD LYS 87 -15.573 -6.722 2.224 669 2HD LYS 87 2HD LYS 87 -16.667 -5.530 1.548 670 1HE LYS 87 1HE LYS 87 -16.406 -7.148 -0.630 671 2HE LYS 87 2HE LYS 87 -16.102 -8.332 0.626 672 1HZ LYS 87 1HZ LYS 87 -18.176 -7.480 1.686 673 2HZ LYS 87 2HZ LYS 87 -18.482 -6.650 0.314 674 3HZ LYS 87 3HZ LYS 87 -18.395 -8.280 0.279 675 H VAL 88 H VAL 88 -10.254 -6.351 1.171 676 HA VAL 88 HA VAL 88 -9.018 -3.926 0.921 677 HB VAL 88 HB VAL 88 -9.607 -4.398 3.618 678 1HG1 VAL 88 1HG1 VAL 88 -7.723 -6.009 3.674 679 2HG1 VAL 88 2HG1 VAL 88 -6.625 -4.717 3.133 680 3HG1 VAL 88 3HG1 VAL 88 -7.440 -4.589 4.710 681 1HG2 VAL 88 1HG2 VAL 88 -9.328 -2.217 2.491 682 2HG2 VAL 88 2HG2 VAL 88 -8.377 -2.324 3.991 683 3HG2 VAL 88 3HG2 VAL 88 -7.572 -2.492 2.413 684 H GLU 89 H GLU 89 -8.876 -7.328 1.996 685 HA GLU 89 HA GLU 89 -6.160 -7.657 1.406 686 1HB GLU 89 1HB GLU 89 -7.322 -9.191 2.908 687 2HB GLU 89 2HB GLU 89 -8.452 -9.650 1.650 688 1HG GLU 89 1HG GLU 89 -5.722 -10.035 0.700 689 2HG GLU 89 2HG GLU 89 -5.929 -10.846 2.240 690 H ASP 90 H ASP 90 -9.176 -8.625 -0.386 691 HA ASP 90 HA ASP 90 -7.774 -9.524 -2.613 692 1HB ASP 90 1HB ASP 90 -10.603 -8.393 -2.621 693 2HB ASP 90 2HB ASP 90 -9.946 -9.607 -3.701 694 H GLU 91 H GLU 91 -9.441 -6.420 -1.751 695 HA GLU 91 HA GLU 91 -9.246 -5.149 -4.146 696 1HB GLU 91 1HB GLU 91 -9.229 -4.182 -1.279 697 2HB GLU 91 2HB GLU 91 -9.042 -3.025 -2.581 698 1HG GLU 91 1HG GLU 91 -11.261 -5.014 -2.906 699 2HG GLU 91 2HG GLU 91 -11.471 -3.834 -1.627 700 H PHE 92 H PHE 92 -6.697 -6.150 -2.009 701 HA PHE 92 HA PHE 92 -4.833 -4.163 -2.961 702 1HB PHE 92 1HB PHE 92 -5.170 -6.061 -0.783 703 2HB PHE 92 2HB PHE 92 -3.678 -6.479 -1.602 704 HD1 PHE 92 HD1 PHE 92 -2.509 -3.962 -2.359 705 HD2 PHE 92 HD2 PHE 92 -4.665 -4.937 1.163 706 HE1 PHE 92 HE1 PHE 92 -1.316 -2.132 -1.124 707 HE2 PHE 92 HE2 PHE 92 -3.472 -3.106 2.399 708 HZ PHE 92 HZ PHE 92 -1.812 -1.726 1.241 709 H THR 93 H THR 93 -5.884 -7.450 -3.721 710 HA THR 93 HA THR 93 -3.497 -7.959 -5.307 711 HB THR 93 HB THR 93 -5.853 -9.500 -4.230 712 HG1 THR 93 HG1 THR 93 -3.834 -9.707 -3.183 713 1HG2 THR 93 1HG2 THR 93 -4.170 -10.347 -6.647 714 2HG2 THR 93 2HG2 THR 93 -5.207 -11.438 -5.698 715 3HG2 THR 93 3HG2 THR 93 -5.934 -10.114 -6.639 716 H LYS 94 H LYS 94 -6.955 -7.126 -5.702 717 HA LYS 94 HA LYS 94 -6.951 -7.530 -8.499 718 1HB LYS 94 1HB LYS 94 -8.784 -5.889 -6.725 719 2HB LYS 94 2HB LYS 94 -9.091 -6.280 -8.405 720 1HG LYS 94 1HG LYS 94 -8.477 -8.519 -6.460 721 2HG LYS 94 2HG LYS 94 -10.080 -7.810 -6.465 722 1HD LYS 94 1HD LYS 94 -10.104 -8.207 -9.020 723 2HD LYS 94 2HD LYS 94 -8.656 -9.168 -8.794 724 1HE LYS 94 1HE LYS 94 -9.787 -10.823 -7.523 725 2HE LYS 94 2HE LYS 94 -11.093 -9.740 -7.084 726 1HZ LYS 94 1HZ LYS 94 -10.594 -10.748 -9.800 727 2HZ LYS 94 2HZ LYS 94 -11.743 -11.307 -8.782 728 3HZ LYS 94 3HZ LYS 94 -11.833 -9.781 -9.357 729 H HIS 95 H HIS 95 -6.043 -4.953 -6.341 730 HA HIS 95 HA HIS 95 -5.980 -2.809 -8.265 731 1HB HIS 95 1HB HIS 95 -6.118 -2.639 -5.746 732 2HB HIS 95 2HB HIS 95 -4.369 -3.121 -5.675 733 HD1 HIS 95 HD1 HIS 95 -4.840 -0.974 -8.489 734 HD2 HIS 95 HD2 HIS 95 -4.378 -0.403 -4.374 735 HE1 HIS 95 HE1 HIS 95 -4.118 1.481 -8.181 736 H CYS 96 H CYS 96 -3.305 -4.736 -6.781 737 HA CYS 96 HA CYS 96 -1.231 -3.796 -8.415 738 1HB CYS 96 1HB CYS 96 -1.741 -6.323 -6.853 739 2HB CYS 96 2HB CYS 96 -0.303 -6.210 -7.899 740 H ASN 97 H ASN 97 -3.911 -5.996 -9.173 741 HA ASN 97 HA ASN 97 -2.543 -7.133 -11.385 742 1HB ASN 97 1HB ASN 97 -5.078 -7.499 -9.979 743 2HB ASN 97 2HB ASN 97 -5.381 -7.413 -11.703 744 1HD2 ASN 97 2HD2 ASN 97 -4.667 -9.412 -9.201 745 2HD2 ASN 97 1HD2 ASN 97 -3.964 -10.760 -10.031 746 H ASP 98 H ASP 98 -4.090 -4.144 -10.673 747 HA ASP 98 HA ASP 98 -4.652 -3.718 -13.502 748 1HB ASP 98 1HB ASP 98 -6.088 -3.010 -11.029 749 2HB ASP 98 2HB ASP 98 -5.806 -1.602 -12.032 750 H ILE 99 H ILE 99 -2.302 -3.312 -11.237 751 HA ILE 99 HA ILE 99 -1.616 -0.615 -12.182 752 HB ILE 99 HB ILE 99 -1.051 -1.895 -9.506 753 1HG1 ILE 99 1HG1 ILE 99 -3.368 -1.108 -9.783 754 2HG1 ILE 99 2HG1 ILE 99 -2.488 -0.185 -8.582 755 1HG2 ILE 99 1HG2 ILE 99 0.466 0.041 -10.903 756 2HG2 ILE 99 2HG2 ILE 99 -0.415 0.900 -9.618 757 3HG2 ILE 99 3HG2 ILE 99 0.630 -0.481 -9.209 758 1HD1 ILE 99 1HD1 ILE 99 -2.104 1.046 -11.183 759 2HD1 ILE 99 2HD1 ILE 99 -3.842 0.812 -10.879 760 3HD1 ILE 99 3HD1 ILE 99 -2.853 1.734 -9.722 761 H LEU 100 H LEU 100 -0.319 -3.791 -11.005 762 HA LEU 100 HA LEU 100 2.097 -3.247 -12.559 763 1HB LEU 100 1HB LEU 100 1.459 -5.174 -10.332 764 2HB LEU 100 2HB LEU 100 2.918 -5.295 -11.295 765 HG LEU 100 HG LEU 100 2.118 -2.918 -9.593 766 1HD1 LEU 100 1HD1 LEU 100 3.423 -5.399 -8.934 767 2HD1 LEU 100 2HD1 LEU 100 4.545 -4.036 -8.704 768 3HD1 LEU 100 3HD1 LEU 100 2.968 -4.040 -7.879 769 1HD2 LEU 100 1HD2 LEU 100 4.258 -3.322 -11.609 770 2HD2 LEU 100 2HD2 LEU 100 3.423 -1.838 -11.092 771 3HD2 LEU 100 3HD2 LEU 100 4.729 -2.519 -10.092 772 H GLY 101 H GLY 101 -0.886 -5.071 -12.516 773 1HA GLY 101 1HA GLY 101 -0.059 -6.380 -15.011 774 2HA GLY 101 2HA GLY 101 -1.698 -6.076 -14.471 775 H ALA 102 H ALA 102 -0.393 -7.017 -11.643 776 HA ALA 102 HA ALA 102 -1.468 -9.640 -11.839 777 1HB ALA 102 1HB ALA 102 1.388 -9.240 -12.324 778 2HB ALA 102 2HB ALA 102 1.095 -10.288 -10.915 779 3HB ALA 102 3HB ALA 102 0.401 -10.712 -12.498 780 H ASP 103 H ASP 103 -0.618 -10.827 -9.579 781 HA ASP 103 HA ASP 103 -1.515 -8.956 -7.616 782 1HB ASP 103 1HB ASP 103 -2.155 -11.476 -7.856 783 2HB ASP 103 2HB ASP 103 -0.594 -11.819 -7.138 784 H CYS 104 H CYS 104 -0.185 -7.921 -6.202 785 HA CYS 104 HA CYS 104 2.641 -7.964 -6.469 786 1HB CYS 104 1HB CYS 104 0.713 -6.853 -4.412 787 2HB CYS 104 2HB CYS 104 2.476 -6.690 -4.220 788 H SER 105 H SER 105 4.244 -8.545 -4.679 789 HA SER 105 HA SER 105 3.754 -11.207 -3.932 790 1HB SER 105 1HB SER 105 6.010 -10.294 -4.488 791 2HB SER 105 2HB SER 105 5.961 -9.293 -3.050 792 HG SER 105 HG SER 105 6.955 -11.700 -3.161 793 HA PRO 106 HA PRO 106 1.707 -10.766 -0.068 794 1HB PRO 106 1HB PRO 106 2.825 -12.980 1.221 795 2HB PRO 106 2HB PRO 106 1.524 -13.060 -0.011 796 1HG PRO 106 1HG PRO 106 4.542 -13.543 -0.484 797 2HG PRO 106 2HG PRO 106 3.058 -14.425 -0.971 798 1HD PRO 106 1HD PRO 106 4.315 -12.590 -2.604 799 2HD PRO 106 2HD PRO 106 2.536 -12.789 -2.598 800 H SER 107 H SER 107 5.232 -10.748 -0.440 801 HA SER 107 HA SER 107 5.605 -10.070 2.320 802 1HB SER 107 1HB SER 107 7.977 -10.042 1.793 803 2HB SER 107 2HB SER 107 7.262 -11.456 1.043 804 HG SER 107 HG SER 107 8.537 -10.527 -0.545 805 H GLU 108 H GLU 108 5.559 -8.521 -0.921 806 HA GLU 108 HA GLU 108 6.491 -6.040 0.025 807 1HB GLU 108 1HB GLU 108 4.879 -6.601 -2.500 808 2HB GLU 108 2HB GLU 108 5.910 -5.215 -2.205 809 1HG GLU 108 1HG GLU 108 7.074 -8.007 -2.016 810 2HG GLU 108 2HG GLU 108 6.830 -7.280 -3.592 811 H LYS 109 H LYS 109 3.625 -7.700 0.609 812 HA LYS 109 HA LYS 109 1.913 -5.363 0.520 813 1HB LYS 109 1HB LYS 109 1.310 -7.832 -0.106 814 2HB LYS 109 2HB LYS 109 1.125 -8.049 1.622 815 1HG LYS 109 1HG LYS 109 -1.018 -7.323 1.194 816 2HG LYS 109 2HG LYS 109 -0.281 -5.741 1.355 817 1HD LYS 109 1HD LYS 109 -1.541 -5.687 -0.696 818 2HD LYS 109 2HD LYS 109 0.146 -5.770 -1.163 819 1HE LYS 109 1HE LYS 109 -1.194 -7.352 -2.509 820 2HE LYS 109 2HE LYS 109 -0.045 -8.224 -1.514 821 1HZ LYS 109 1HZ LYS 109 -2.428 -7.842 -0.097 822 2HZ LYS 109 2HZ LYS 109 -2.767 -8.521 -1.543 823 3HZ LYS 109 3HZ LYS 109 -1.710 -9.244 -0.530 824 H ALA 110 H ALA 110 2.835 -7.826 3.036 825 HA ALA 110 HA ALA 110 1.934 -6.359 5.192 826 1HB ALA 110 1HB ALA 110 4.394 -8.041 5.485 827 2HB ALA 110 2HB ALA 110 2.889 -8.043 6.436 828 3HB ALA 110 3HB ALA 110 2.934 -8.828 4.839 829 H ASN 111 H ASN 111 4.812 -5.985 3.178 830 HA ASN 111 HA ASN 111 6.339 -4.573 5.024 831 1HB ASN 111 1HB ASN 111 7.438 -5.434 3.054 832 2HB ASN 111 2HB ASN 111 6.272 -4.690 1.978 833 1HD2 ASN 111 2HD2 ASN 111 7.621 -3.115 4.807 834 2HD2 ASN 111 1HD2 ASN 111 8.569 -1.917 3.990 835 H PHE 112 H PHE 112 4.135 -3.571 2.305 836 HA PHE 112 HA PHE 112 4.433 -0.822 2.680 837 1HB PHE 112 1HB PHE 112 3.466 -2.072 0.681 838 2HB PHE 112 2HB PHE 112 2.086 -2.531 1.657 839 HD1 PHE 112 HD1 PHE 112 0.175 -1.369 1.146 840 HD2 PHE 112 HD2 PHE 112 3.894 0.665 0.933 841 HE1 PHE 112 HE1 PHE 112 -1.013 0.731 0.455 842 HE2 PHE 112 HE2 PHE 112 2.705 2.765 0.241 843 HZ PHE 112 HZ PHE 112 0.266 2.773 0.010 844 H ILE 113 H ILE 113 2.010 -3.190 3.955 845 HA ILE 113 HA ILE 113 0.328 -1.375 5.170 846 HB ILE 113 HB ILE 113 1.021 -4.246 5.581 847 1HG1 ILE 113 1HG1 ILE 113 -1.781 -3.503 5.319 848 2HG1 ILE 113 2HG1 ILE 113 -0.818 -2.816 4.026 849 1HG2 ILE 113 1HG2 ILE 113 -0.706 -2.612 7.456 850 2HG2 ILE 113 2HG2 ILE 113 -0.724 -4.389 7.358 851 3HG2 ILE 113 3HG2 ILE 113 0.759 -3.539 7.857 852 1HD1 ILE 113 1HD1 ILE 113 -0.376 -5.707 4.797 853 2HD1 ILE 113 2HD1 ILE 113 -1.780 -5.271 3.794 854 3HD1 ILE 113 3HD1 ILE 113 -0.133 -4.913 3.223 855 H ALA 114 H ALA 114 3.423 -2.816 6.305 856 HA ALA 114 HA ALA 114 3.271 -1.786 8.910 857 1HB ALA 114 1HB ALA 114 4.829 -3.486 8.667 858 2HB ALA 114 2HB ALA 114 5.894 -2.062 8.591 859 3HB ALA 114 3HB ALA 114 5.400 -2.884 7.092 860 H TYR 115 H TYR 115 5.299 -0.711 6.151 861 HA TYR 115 HA TYR 115 6.239 1.672 7.155 862 1HB TYR 115 1HB TYR 115 6.265 0.391 4.732 863 2HB TYR 115 2HB TYR 115 5.293 1.824 4.359 864 HD1 TYR 115 HD1 TYR 115 8.617 0.574 5.290 865 HD2 TYR 115 HD2 TYR 115 6.253 4.077 4.523 866 HE1 TYR 115 HE1 TYR 115 10.686 1.927 5.095 867 HE2 TYR 115 HE2 TYR 115 8.321 5.430 4.328 868 HH TYR 115 HH TYR 115 10.733 5.161 3.887 869 H LEU 116 H LEU 116 2.953 1.015 5.788 870 HA LEU 116 HA LEU 116 2.221 3.759 5.856 871 1HB LEU 116 1HB LEU 116 1.178 1.314 4.875 872 2HB LEU 116 2HB LEU 116 -0.029 1.987 5.953 873 HG LEU 116 HG LEU 116 -0.137 4.034 4.679 874 1HD1 LEU 116 1HD1 LEU 116 2.450 3.180 3.699 875 2HD1 LEU 116 2HD1 LEU 116 1.359 3.595 2.356 876 3HD1 LEU 116 3HD1 LEU 116 1.679 4.783 3.643 877 1HD2 LEU 116 1HD2 LEU 116 -1.159 1.691 3.873 878 2HD2 LEU 116 2HD2 LEU 116 -1.412 3.219 2.994 879 3HD2 LEU 116 3HD2 LEU 116 -0.165 2.073 2.447 880 H LEU 117 H LEU 117 2.022 0.975 8.097 881 HA LEU 117 HA LEU 117 0.540 2.605 9.992 882 1HB LEU 117 1HB LEU 117 -0.006 0.670 11.069 883 2HB LEU 117 2HB LEU 117 0.098 0.133 9.404 884 HG LEU 117 HG LEU 117 2.626 -0.398 10.175 885 1HD1 LEU 117 1HD1 LEU 117 1.256 0.164 12.632 886 2HD1 LEU 117 2HD1 LEU 117 1.710 -1.556 12.587 887 3HD1 LEU 117 3HD1 LEU 117 2.953 -0.302 12.365 888 1HD2 LEU 117 1HD2 LEU 117 0.830 -1.889 9.155 889 2HD2 LEU 117 2HD2 LEU 117 2.027 -2.673 10.213 890 3HD2 LEU 117 3HD2 LEU 117 0.393 -2.323 10.825 891 H THR 118 H THR 118 3.424 3.104 9.054 892 HA THR 118 HA THR 118 4.493 3.386 11.758 893 HB THR 118 HB THR 118 5.929 2.056 9.400 894 HG1 THR 118 HG1 THR 118 5.859 0.296 11.014 895 1HG2 THR 118 1HG2 THR 118 7.275 3.599 11.126 896 2HG2 THR 118 2HG2 THR 118 6.994 2.232 12.230 897 3HG2 THR 118 3HG2 THR 118 7.887 1.980 10.711 898 H GLU 119 H GLU 119 5.573 3.926 8.335 899 HA GLU 119 HA GLU 119 6.123 6.657 9.167 900 1HB GLU 119 1HB GLU 119 7.130 5.132 6.724 901 2HB GLU 119 2HB GLU 119 7.620 6.749 7.189 902 1HG GLU 119 1HG GLU 119 7.933 4.980 9.472 903 2HG GLU 119 2HG GLU 119 8.716 4.255 8.082 904 H THR 120 H THR 120 3.916 7.413 8.995 905 HA THR 120 HA THR 120 3.148 7.904 6.216 906 HB THR 120 HB THR 120 1.935 5.844 7.116 907 HG1 THR 120 HG1 THR 120 1.075 7.484 5.539 908 1HG2 THR 120 1HG2 THR 120 1.523 7.584 9.384 909 2HG2 THR 120 2HG2 THR 120 -0.054 7.328 8.601 910 3HG2 THR 120 3HG2 THR 120 0.902 5.932 9.151 911 H LYS 121 H LYS 121 4.394 9.885 7.161 912 HA LYS 121 HA LYS 121 2.335 11.620 8.330 913 1HB LYS 121 1HB LYS 121 5.304 11.691 8.945 914 2HB LYS 121 2HB LYS 121 4.091 12.786 9.575 915 1HG LYS 121 1HG LYS 121 3.042 11.080 10.877 916 2HG LYS 121 2HG LYS 121 3.782 9.789 9.952 917 1HD LYS 121 1HD LYS 121 5.498 9.713 11.428 918 2HD LYS 121 2HD LYS 121 5.933 11.358 11.009 919 1HE LYS 121 1HE LYS 121 3.786 10.640 13.062 920 2HE LYS 121 2HE LYS 121 5.450 11.003 13.478 921 1HZ LYS 121 1HZ LYS 121 4.611 13.032 11.839 922 2HZ LYS 121 2HZ LYS 121 3.375 12.782 12.877 923 3HZ LYS 121 3HZ LYS 121 4.869 13.111 13.450 924 HA PRO 122 HA PRO 122 2.997 14.164 4.838 925 1HB PRO 122 1HB PRO 122 2.131 16.567 5.853 926 2HB PRO 122 2HB PRO 122 1.029 15.185 5.548 927 1HG PRO 122 1HG PRO 122 2.256 16.074 8.196 928 2HG PRO 122 2HG PRO 122 0.602 15.586 7.702 929 1HD PRO 122 1HD PRO 122 2.508 13.888 8.884 930 2HD PRO 122 2HD PRO 122 1.163 13.321 7.848 931 H THR 123 H THR 123 4.229 16.222 4.139 932 HA THR 123 HA THR 123 6.575 16.524 5.893 933 HB THR 123 HB THR 123 6.200 16.596 2.859 934 HG1 THR 123 HG1 THR 123 7.665 15.084 4.900 935 1HG2 THR 123 1HG2 THR 123 8.264 17.868 4.547 936 2HG2 THR 123 2HG2 THR 123 8.946 16.624 3.472 937 3HG2 THR 123 3HG2 THR 123 8.025 17.985 2.787 938 H LYS 124 H LYS 124 4.709 18.370 3.382 939 HA LYS 124 HA LYS 124 4.073 20.483 3.322 940 1HB LYS 124 1HB LYS 124 3.652 19.735 5.977 941 2HB LYS 124 2HB LYS 124 4.514 21.254 6.104 942 1HG LYS 124 1HG LYS 124 2.274 21.072 4.091 943 2HG LYS 124 2HG LYS 124 1.844 21.167 5.787 944 1HD LYS 124 1HD LYS 124 3.888 23.115 4.707 945 2HD LYS 124 2HD LYS 124 2.199 23.381 4.327 946 1HE LYS 124 1HE LYS 124 1.991 22.888 7.015 947 2HE LYS 124 2HE LYS 124 3.605 23.569 6.965 948 1HZ LYS 124 1HZ LYS 124 2.633 25.426 5.684 949 2HZ LYS 124 2HZ LYS 124 1.144 24.817 5.965 950 3HZ LYS 124 3HZ LYS 124 2.070 25.318 7.213 No H/Q in entry = 950 Start of MODEL 10 1 H1 ASP 1 H1 ASP 1 -9.522 -0.312 16.326 2 H2 ASP 1 H2 ASP 1 -10.720 0.626 15.673 3 H3 ASP 1 H3 ASP 1 -10.573 -0.960 15.222 4 HA ASP 1 HA ASP 1 -9.426 -0.390 13.578 5 1HB ASP 1 1HB ASP 1 -8.728 2.349 14.650 6 2HB ASP 1 2HB ASP 1 -9.057 1.872 12.997 7 H VAL 2 H VAL 2 -7.072 -0.011 12.918 8 HA VAL 2 HA VAL 2 -4.866 0.158 13.308 9 HB VAL 2 HB VAL 2 -5.392 0.180 16.278 10 1HG1 VAL 2 1HG1 VAL 2 -3.061 -0.211 15.458 11 2HG1 VAL 2 2HG1 VAL 2 -3.122 1.378 14.658 12 3HG1 VAL 2 3HG1 VAL 2 -3.245 1.269 16.430 13 1HG2 VAL 2 1HG2 VAL 2 -6.420 2.057 14.499 14 2HG2 VAL 2 2HG2 VAL 2 -6.157 2.284 16.244 15 3HG2 VAL 2 3HG2 VAL 2 -4.912 2.801 15.082 16 H THR 3 H THR 3 -6.829 -1.914 15.511 17 HA THR 3 HA THR 3 -4.847 -3.918 15.770 18 HB THR 3 HB THR 3 -7.889 -3.919 16.142 19 HG1 THR 3 HG1 THR 3 -7.220 -3.322 18.264 20 1HG2 THR 3 1HG2 THR 3 -6.743 -6.241 16.023 21 2HG2 THR 3 2HG2 THR 3 -5.806 -5.733 17.449 22 3HG2 THR 3 3HG2 THR 3 -7.579 -5.864 17.548 23 H ASN 4 H ASN 4 -6.775 -2.945 13.109 24 HA ASN 4 HA ASN 4 -7.051 -5.555 12.024 25 1HB ASN 4 1HB ASN 4 -7.183 -3.100 10.275 26 2HB ASN 4 2HB ASN 4 -8.242 -4.497 10.295 27 1HD2 ASN 4 2HD2 ASN 4 -8.633 -4.561 13.136 28 2HD2 ASN 4 1HD2 ASN 4 -9.671 -3.245 13.573 29 H ALA 5 H ALA 5 -5.072 -2.568 11.386 30 HA ALA 5 HA ALA 5 -3.623 -3.483 9.232 31 1HB ALA 5 1HB ALA 5 -2.959 -1.571 11.498 32 2HB ALA 5 2HB ALA 5 -1.901 -1.804 10.085 33 3HB ALA 5 3HB ALA 5 -3.552 -1.176 9.867 34 H GLU 6 H GLU 6 -2.975 -3.839 12.777 35 HA GLU 6 HA GLU 6 -0.533 -5.010 12.598 36 1HB GLU 6 1HB GLU 6 -1.800 -4.299 14.689 37 2HB GLU 6 2HB GLU 6 -2.710 -5.793 14.584 38 1HG GLU 6 1HG GLU 6 -0.681 -5.873 16.130 39 2HG GLU 6 2HG GLU 6 -0.743 -7.144 14.925 40 H LYS 7 H LYS 7 -3.773 -6.661 12.653 41 HA LYS 7 HA LYS 7 -2.882 -9.244 12.445 42 1HB LYS 7 1HB LYS 7 -5.388 -7.898 11.416 43 2HB LYS 7 2HB LYS 7 -5.137 -9.628 11.315 44 1HG LYS 7 1HG LYS 7 -4.655 -8.312 13.982 45 2HG LYS 7 2HG LYS 7 -6.317 -8.473 13.451 46 1HD LYS 7 1HD LYS 7 -5.140 -10.989 12.889 47 2HD LYS 7 2HD LYS 7 -4.484 -10.534 14.449 48 1HE LYS 7 1HE LYS 7 -7.318 -9.892 14.398 49 2HE LYS 7 2HE LYS 7 -7.103 -11.550 13.872 50 1HZ LYS 7 1HZ LYS 7 -5.735 -10.543 16.252 51 2HZ LYS 7 2HZ LYS 7 -7.265 -11.107 16.333 52 3HZ LYS 7 3HZ LYS 7 -6.057 -12.091 15.845 53 H LEU 8 H LEU 8 -3.667 -6.925 9.766 54 HA LEU 8 HA LEU 8 -3.161 -8.554 7.647 55 1HB LEU 8 1HB LEU 8 -2.751 -5.611 8.094 56 2HB LEU 8 2HB LEU 8 -2.358 -6.352 6.555 57 HG LEU 8 HG LEU 8 -5.049 -6.043 7.870 58 1HD1 LEU 8 1HD1 LEU 8 -3.954 -5.346 5.132 59 2HD1 LEU 8 2HD1 LEU 8 -5.646 -5.131 5.641 60 3HD1 LEU 8 3HD1 LEU 8 -4.350 -4.222 6.455 61 1HD2 LEU 8 1HD2 LEU 8 -4.188 -8.184 5.976 62 2HD2 LEU 8 2HD2 LEU 8 -5.393 -8.221 7.286 63 3HD2 LEU 8 3HD2 LEU 8 -5.785 -7.436 5.737 64 H VAL 9 H VAL 9 -0.770 -6.623 9.564 65 HA VAL 9 HA VAL 9 1.446 -7.423 8.050 66 HB VAL 9 HB VAL 9 1.208 -6.507 10.923 67 1HG1 VAL 9 1HG1 VAL 9 3.422 -7.662 9.793 68 2HG1 VAL 9 2HG1 VAL 9 3.694 -5.939 9.441 69 3HG1 VAL 9 3HG1 VAL 9 3.453 -6.477 11.120 70 1HG2 VAL 9 1HG2 VAL 9 1.322 -5.084 8.288 71 2HG2 VAL 9 2HG2 VAL 9 0.379 -4.710 9.750 72 3HG2 VAL 9 3HG2 VAL 9 2.121 -4.345 9.697 73 H TYR 10 H TYR 10 0.043 -8.627 11.111 74 HA TYR 10 HA TYR 10 1.900 -10.756 11.477 75 1HB TYR 10 1HB TYR 10 0.199 -9.664 13.106 76 2HB TYR 10 2HB TYR 10 -0.973 -10.792 12.404 77 HD1 TYR 10 HD1 TYR 10 -0.797 -13.196 12.786 78 HD2 TYR 10 HD2 TYR 10 2.030 -10.456 14.504 79 HE1 TYR 10 HE1 TYR 10 -0.005 -14.975 14.322 80 HE2 TYR 10 HE2 TYR 10 2.822 -12.235 16.039 81 HH TYR 10 HH TYR 10 1.418 -14.715 16.957 82 H LYS 11 H LYS 11 -0.564 -10.299 9.092 83 HA LYS 11 HA LYS 11 -0.914 -13.186 8.810 84 1HB LYS 11 1HB LYS 11 -2.772 -11.234 8.746 85 2HB LYS 11 2HB LYS 11 -2.348 -11.263 7.046 86 1HG LYS 11 1HG LYS 11 -4.077 -12.875 7.203 87 2HG LYS 11 2HG LYS 11 -2.621 -13.849 7.193 88 1HD LYS 11 1HD LYS 11 -2.982 -14.613 9.313 89 2HD LYS 11 2HD LYS 11 -3.349 -13.011 9.921 90 1HE LYS 11 1HE LYS 11 -5.540 -13.591 10.007 91 2HE LYS 11 2HE LYS 11 -5.552 -13.685 8.258 92 1HZ LYS 11 1HZ LYS 11 -4.703 -15.980 8.520 93 2HZ LYS 11 2HZ LYS 11 -4.951 -15.862 10.130 94 3HZ LYS 11 3HZ LYS 11 -6.214 -15.759 9.100 95 H TYR 12 H TYR 12 -0.613 -10.455 6.518 96 HA TYR 12 HA TYR 12 0.434 -11.817 4.365 97 1HB TYR 12 1HB TYR 12 0.923 -9.025 5.416 98 2HB TYR 12 2HB TYR 12 1.642 -9.586 3.896 99 HD1 TYR 12 HD1 TYR 12 0.035 -10.517 2.098 100 HD2 TYR 12 HD2 TYR 12 -1.251 -8.160 5.450 101 HE1 TYR 12 HE1 TYR 12 -2.063 -9.957 0.899 102 HE2 TYR 12 HE2 TYR 12 -3.349 -7.600 4.251 103 HH TYR 12 HH TYR 12 -4.432 -9.205 1.469 104 H THR 13 H THR 13 2.042 -11.091 7.447 105 HA THR 13 HA THR 13 4.674 -11.520 6.363 106 HB THR 13 HB THR 13 3.565 -11.284 9.211 107 HG1 THR 13 HG1 THR 13 5.051 -9.513 7.402 108 1HG2 THR 13 1HG2 THR 13 5.922 -12.372 8.917 109 2HG2 THR 13 2HG2 THR 13 6.423 -10.795 8.262 110 3HG2 THR 13 3HG2 THR 13 5.827 -10.915 9.935 111 H ASN 14 H ASN 14 2.411 -13.375 8.501 112 HA ASN 14 HA ASN 14 4.048 -15.541 8.811 113 1HB ASN 14 1HB ASN 14 1.373 -14.833 9.447 114 2HB ASN 14 2HB ASN 14 1.217 -16.309 8.516 115 1HD2 ASN 14 2HD2 ASN 14 0.827 -15.684 11.388 116 2HD2 ASN 14 1HD2 ASN 14 1.790 -16.817 12.275 117 H ILE 15 H ILE 15 1.339 -14.985 6.430 118 HA ILE 15 HA ILE 15 1.486 -17.320 5.037 119 HB ILE 15 HB ILE 15 0.673 -14.530 4.401 120 1HG1 ILE 15 1HG1 ILE 15 -1.026 -16.915 3.874 121 2HG1 ILE 15 2HG1 ILE 15 -0.610 -16.610 5.549 122 1HG2 ILE 15 1HG2 ILE 15 0.896 -16.717 2.315 123 2HG2 ILE 15 2HG2 ILE 15 0.007 -15.188 2.117 124 3HG2 ILE 15 3HG2 ILE 15 1.773 -15.169 2.340 125 1HD1 ILE 15 1HD1 ILE 15 -1.264 -14.060 4.553 126 2HD1 ILE 15 2HD1 ILE 15 -2.456 -15.149 3.802 127 3HD1 ILE 15 3HD1 ILE 15 -2.295 -15.091 5.574 128 H ALA 16 H ALA 16 3.425 -14.306 4.510 129 HA ALA 16 HA ALA 16 4.857 -15.277 2.325 130 1HB ALA 16 1HB ALA 16 4.883 -13.002 4.158 131 2HB ALA 16 2HB ALA 16 6.531 -13.503 3.710 132 3HB ALA 16 3HB ALA 16 5.353 -13.083 2.443 133 H HIS 17 H HIS 17 5.615 -15.277 5.874 134 HA HIS 17 HA HIS 17 8.078 -16.516 5.631 135 1HB HIS 17 1HB HIS 17 7.106 -15.340 7.638 136 2HB HIS 17 2HB HIS 17 6.139 -16.768 7.944 137 HD1 HIS 17 HD1 HIS 17 9.855 -15.911 7.496 138 HD2 HIS 17 HD2 HIS 17 7.372 -18.571 9.582 139 HE1 HIS 17 HE1 HIS 17 11.384 -17.266 9.024 140 H SER 18 H SER 18 4.776 -17.773 5.442 141 HA SER 18 HA SER 18 5.485 -20.445 5.944 142 1HB SER 18 1HB SER 18 3.172 -19.528 6.186 143 2HB SER 18 2HB SER 18 3.083 -19.300 4.451 144 HG SER 18 HG SER 18 3.769 -21.811 4.618 145 H ALA 19 H ALA 19 5.733 -18.287 3.193 146 HA ALA 19 HA ALA 19 5.913 -20.473 1.294 147 1HB ALA 19 1HB ALA 19 4.755 -18.590 0.456 148 2HB ALA 19 2HB ALA 19 6.378 -18.457 -0.262 149 3HB ALA 19 3HB ALA 19 5.938 -17.448 1.136 150 H ASN 20 H ASN 20 7.934 -18.384 3.296 151 HA ASN 20 HA ASN 20 10.204 -19.891 2.411 152 1HB ASN 20 1HB ASN 20 11.569 -18.002 1.779 153 2HB ASN 20 2HB ASN 20 10.052 -17.784 0.928 154 1HD2 ASN 20 2HD2 ASN 20 8.323 -16.719 2.519 155 2HD2 ASN 20 1HD2 ASN 20 8.836 -15.226 3.230 156 HA PRO 21 HA PRO 21 10.738 -19.185 6.809 157 1HB PRO 21 1HB PRO 21 12.655 -21.017 7.264 158 2HB PRO 21 2HB PRO 21 11.030 -21.532 6.706 159 1HG PRO 21 1HG PRO 21 13.453 -20.982 5.095 160 2HG PRO 21 2HG PRO 21 12.523 -22.503 4.898 161 1HD PRO 21 1HD PRO 21 12.175 -20.411 3.195 162 2HD PRO 21 2HD PRO 21 10.764 -21.357 3.760 163 H MET 22 H MET 22 11.836 -17.154 5.054 164 HA MET 22 HA MET 22 14.267 -16.676 6.540 165 1HB MET 22 1HB MET 22 15.512 -16.064 4.483 166 2HB MET 22 2HB MET 22 14.939 -17.714 4.338 167 1HG MET 22 1HG MET 22 13.065 -17.016 2.923 168 2HG MET 22 2HG MET 22 13.408 -15.322 3.213 169 1HE MET 22 1HE MET 22 13.528 -18.065 1.112 170 2HE MET 22 2HE MET 22 13.391 -16.674 0.010 171 3HE MET 22 3HE MET 22 14.778 -17.782 -0.124 172 H TYR 23 H TYR 23 11.608 -15.659 6.754 173 HA TYR 23 HA TYR 23 12.183 -12.804 6.477 174 1HB TYR 23 1HB TYR 23 11.214 -13.371 4.289 175 2HB TYR 23 2HB TYR 23 9.813 -14.101 5.090 176 HD1 TYR 23 HD1 TYR 23 7.901 -12.820 5.376 177 HD2 TYR 23 HD2 TYR 23 11.696 -10.851 4.967 178 HE1 TYR 23 HE1 TYR 23 6.760 -10.619 5.387 179 HE2 TYR 23 HE2 TYR 23 10.555 -8.649 4.978 180 HH TYR 23 HH TYR 23 8.078 -7.791 4.373 181 H GLU 24 H GLU 24 11.833 -12.215 8.611 182 HA GLU 24 HA GLU 24 9.693 -13.564 9.992 183 1HB GLU 24 1HB GLU 24 11.979 -11.766 10.838 184 2HB GLU 24 2HB GLU 24 10.642 -12.057 11.933 185 1HG GLU 24 1HG GLU 24 11.754 -14.504 10.633 186 2HG GLU 24 2HG GLU 24 12.856 -13.683 11.721 187 H ALA 25 H ALA 25 10.745 -10.207 9.116 188 HA ALA 25 HA ALA 25 8.054 -9.398 8.733 189 1HB ALA 25 1HB ALA 25 8.928 -7.555 10.728 190 2HB ALA 25 2HB ALA 25 9.126 -9.192 11.398 191 3HB ALA 25 3HB ALA 25 7.538 -8.666 10.791 192 HA PRO 26 HA PRO 26 10.007 -6.213 6.437 193 1HB PRO 26 1HB PRO 26 8.356 -4.053 7.617 194 2HB PRO 26 2HB PRO 26 8.276 -4.814 5.995 195 1HG PRO 26 1HG PRO 26 6.138 -5.417 7.857 196 2HG PRO 26 2HG PRO 26 6.899 -6.401 6.565 197 1HD PRO 26 1HD PRO 26 7.665 -6.210 9.544 198 2HD PRO 26 2HD PRO 26 7.147 -7.668 8.645 199 H SER 27 H SER 27 10.731 -3.594 6.795 200 HA SER 27 HA SER 27 11.865 -3.385 9.435 201 1HB SER 27 1HB SER 27 13.410 -4.490 7.417 202 2HB SER 27 2HB SER 27 13.842 -2.796 7.300 203 HG SER 27 HG SER 27 14.991 -2.976 9.092 204 H ILE 28 H ILE 28 9.847 -2.061 7.480 205 HA ILE 28 HA ILE 28 9.278 -0.045 6.746 206 HB ILE 28 HB ILE 28 9.620 1.781 8.352 207 1HG1 ILE 28 1HG1 ILE 28 11.317 -0.172 9.930 208 2HG1 ILE 28 2HG1 ILE 28 11.970 1.138 8.966 209 1HG2 ILE 28 1HG2 ILE 28 8.137 -0.515 8.651 210 2HG2 ILE 28 2HG2 ILE 28 8.986 -0.394 10.210 211 3HG2 ILE 28 3HG2 ILE 28 7.985 0.960 9.635 212 1HD1 ILE 28 1HD1 ILE 28 10.518 2.749 10.307 213 2HD1 ILE 28 2HD1 ILE 28 10.108 1.380 11.368 214 3HD1 ILE 28 3HD1 ILE 28 11.794 1.937 11.245 215 H THR 29 H THR 29 11.725 -1.170 5.597 216 HA THR 29 HA THR 29 12.910 1.362 4.720 217 HB THR 29 HB THR 29 14.476 -1.150 5.512 218 HG1 THR 29 HG1 THR 29 13.769 -0.047 7.396 219 1HG2 THR 29 1HG2 THR 29 15.236 0.929 3.794 220 2HG2 THR 29 2HG2 THR 29 15.812 1.492 5.382 221 3HG2 THR 29 3HG2 THR 29 16.358 -0.077 4.743 222 H ASP 30 H ASP 30 10.981 -1.043 3.864 223 HA ASP 30 HA ASP 30 12.349 -1.440 1.321 224 1HB ASP 30 1HB ASP 30 11.562 -3.422 2.915 225 2HB ASP 30 2HB ASP 30 9.977 -3.082 2.249 226 H GLY 31 H GLY 31 9.354 -0.524 3.068 227 1HA GLY 31 1HA GLY 31 7.355 0.275 2.350 228 2HA GLY 31 2HA GLY 31 7.753 -0.182 0.706 229 H LYS 32 H LYS 32 10.018 1.192 0.040 230 HA LYS 32 HA LYS 32 9.104 3.960 0.277 231 1HB LYS 32 1HB LYS 32 11.459 2.894 1.500 232 2HB LYS 32 2HB LYS 32 11.962 3.941 0.189 233 1HG LYS 32 1HG LYS 32 9.893 4.759 2.280 234 2HG LYS 32 2HG LYS 32 11.604 5.106 2.436 235 1HD LYS 32 1HD LYS 32 11.550 6.773 0.854 236 2HD LYS 32 2HD LYS 32 10.460 5.886 -0.195 237 1HE LYS 32 1HE LYS 32 9.576 7.244 2.396 238 2HE LYS 32 2HE LYS 32 9.469 8.002 0.820 239 1HZ LYS 32 1HZ LYS 32 8.224 5.418 1.450 240 2HZ LYS 32 2HZ LYS 32 7.439 6.848 1.541 241 3HZ LYS 32 3HZ LYS 32 7.999 6.314 0.103 242 H ILE 33 H ILE 33 11.725 1.986 -1.296 243 HA ILE 33 HA ILE 33 11.560 3.491 -3.679 244 HB ILE 33 HB ILE 33 12.853 0.857 -2.984 245 1HG1 ILE 33 1HG1 ILE 33 14.209 3.497 -3.529 246 2HG1 ILE 33 2HG1 ILE 33 13.602 3.099 -1.934 247 1HG2 ILE 33 1HG2 ILE 33 12.313 1.939 -5.581 248 2HG2 ILE 33 2HG2 ILE 33 14.065 2.005 -5.273 249 3HG2 ILE 33 3HG2 ILE 33 13.195 0.458 -5.136 250 1HD1 ILE 33 1HD1 ILE 33 14.920 0.810 -2.345 251 2HD1 ILE 33 2HD1 ILE 33 15.837 1.814 -3.493 252 3HD1 ILE 33 3HD1 ILE 33 15.772 2.264 -1.772 253 H PHE 34 H PHE 34 10.231 0.315 -2.602 254 HA PHE 34 HA PHE 34 9.200 -0.516 -5.007 255 1HB PHE 34 1HB PHE 34 9.210 -1.926 -3.008 256 2HB PHE 34 2HB PHE 34 8.346 -0.723 -2.072 257 HD1 PHE 34 HD1 PHE 34 6.108 -1.090 -1.671 258 HD2 PHE 34 HD2 PHE 34 7.850 -2.786 -5.149 259 HE1 PHE 34 HE1 PHE 34 3.938 -2.237 -2.199 260 HE2 PHE 34 HE2 PHE 34 5.680 -3.932 -5.677 261 HZ PHE 34 HZ PHE 34 3.750 -3.644 -4.195 262 H PHE 35 H PHE 35 8.203 2.152 -2.957 263 HA PHE 35 HA PHE 35 5.678 2.326 -4.436 264 1HB PHE 35 1HB PHE 35 5.549 2.275 -1.939 265 2HB PHE 35 2HB PHE 35 6.758 3.538 -1.823 266 HD1 PHE 35 HD1 PHE 35 3.322 2.876 -3.075 267 HD2 PHE 35 HD2 PHE 35 6.114 5.784 -1.749 268 HE1 PHE 35 HE1 PHE 35 1.508 4.611 -3.060 269 HE2 PHE 35 HE2 PHE 35 4.300 7.519 -1.734 270 HZ PHE 35 HZ PHE 35 2.019 6.911 -2.390 271 H ASN 36 H ASN 36 8.766 3.293 -4.836 272 HA ASN 36 HA ASN 36 7.882 5.785 -6.011 273 1HB ASN 36 1HB ASN 36 10.259 5.427 -4.126 274 2HB ASN 36 2HB ASN 36 10.171 6.775 -5.242 275 1HD2 ASN 36 2HD2 ASN 36 10.339 7.401 -2.695 276 2HD2 ASN 36 1HD2 ASN 36 8.845 7.974 -2.033 277 H ARG 37 H ARG 37 8.604 2.957 -6.895 278 HA ARG 37 HA ARG 37 11.064 3.518 -8.325 279 1HB ARG 37 1HB ARG 37 10.818 1.371 -6.954 280 2HB ARG 37 2HB ARG 37 9.572 0.859 -8.075 281 1HG ARG 37 1HG ARG 37 11.077 0.377 -9.748 282 2HG ARG 37 2HG ARG 37 12.087 1.762 -9.386 283 1HD ARG 37 1HD ARG 37 13.425 -0.133 -8.802 284 2HD ARG 37 2HD ARG 37 12.853 0.494 -7.269 285 HE ARG 37 HE ARG 37 11.459 -1.401 -7.008 286 1HH1 ARG 37 1HH1 ARG 37 10.834 -3.543 -7.502 287 2HH1 ARG 37 2HH1 ARG 37 11.235 -4.228 -9.041 288 1HH2 ARG 37 1HH2 ARG 37 12.879 -1.348 -10.227 289 2HH2 ARG 37 2HH2 ARG 37 12.406 -2.971 -10.602 290 H LYS 38 H LYS 38 10.355 4.757 -10.114 291 HA LYS 38 HA LYS 38 8.007 4.513 -11.468 292 1HB LYS 38 1HB LYS 38 9.446 6.371 -11.855 293 2HB LYS 38 2HB LYS 38 10.764 5.346 -12.390 294 1HG LYS 38 1HG LYS 38 9.267 4.573 -14.316 295 2HG LYS 38 2HG LYS 38 8.106 5.789 -13.824 296 1HD LYS 38 1HD LYS 38 10.997 6.332 -14.652 297 2HD LYS 38 2HD LYS 38 9.583 6.625 -15.646 298 1HE LYS 38 1HE LYS 38 10.187 7.975 -12.970 299 2HE LYS 38 2HE LYS 38 10.352 8.718 -14.549 300 1HZ LYS 38 1HZ LYS 38 7.819 7.738 -14.501 301 2HZ LYS 38 2HZ LYS 38 8.026 8.353 -13.002 302 3HZ LYS 38 3HZ LYS 38 8.254 9.300 -14.313 303 H PHE 39 H PHE 39 7.210 2.440 -11.806 304 HA PHE 39 HA PHE 39 8.920 0.657 -13.372 305 1HB PHE 39 1HB PHE 39 7.181 -1.032 -12.597 306 2HB PHE 39 2HB PHE 39 7.964 -0.224 -11.253 307 HD1 PHE 39 HD1 PHE 39 4.884 -0.249 -13.309 308 HD2 PHE 39 HD2 PHE 39 6.710 1.036 -9.701 309 HE1 PHE 39 HE1 PHE 39 2.642 0.451 -12.425 310 HE2 PHE 39 HE2 PHE 39 4.469 1.736 -8.816 311 HZ PHE 39 HZ PHE 39 2.461 1.436 -10.188 312 H LYS 40 H LYS 40 7.826 -0.647 -15.114 313 HA LYS 40 HA LYS 40 5.873 1.057 -16.487 314 1HB LYS 40 1HB LYS 40 8.255 -0.454 -17.366 315 2HB LYS 40 2HB LYS 40 6.854 -0.636 -18.402 316 1HG LYS 40 1HG LYS 40 6.900 2.121 -17.790 317 2HG LYS 40 2HG LYS 40 8.588 1.707 -18.014 318 1HD LYS 40 1HD LYS 40 6.931 0.433 -20.069 319 2HD LYS 40 2HD LYS 40 6.659 2.164 -20.043 320 1HE LYS 40 1HE LYS 40 8.528 2.218 -21.379 321 2HE LYS 40 2HE LYS 40 9.384 2.148 -19.852 322 1HZ LYS 40 1HZ LYS 40 9.129 -0.366 -20.166 323 2HZ LYS 40 2HZ LYS 40 8.865 -0.010 -21.737 324 3HZ LYS 40 3HZ LYS 40 10.272 0.420 -21.028 325 H THR 41 H THR 41 3.878 0.255 -17.028 326 HA THR 41 HA THR 41 3.149 -2.255 -15.822 327 HB THR 41 HB THR 41 0.884 -1.513 -16.421 328 HG1 THR 41 HG1 THR 41 0.900 0.530 -17.806 329 1HG2 THR 41 1HG2 THR 41 2.208 -0.132 -14.628 330 2HG2 THR 41 2HG2 THR 41 2.394 1.086 -15.914 331 3HG2 THR 41 3HG2 THR 41 0.769 0.627 -15.350 332 HA PRO 42 HA PRO 42 3.498 -4.988 -19.162 333 1HB PRO 42 1HB PRO 42 1.270 -6.569 -18.769 334 2HB PRO 42 2HB PRO 42 2.700 -6.591 -17.685 335 1HG PRO 42 1HG PRO 42 -0.045 -5.033 -16.827 336 2HG PRO 42 2HG PRO 42 1.211 -6.257 -16.451 337 1HD PRO 42 1HD PRO 42 1.337 -3.386 -16.077 338 2HD PRO 42 2HD PRO 42 2.670 -4.561 -15.863 339 H SER 43 H SER 43 1.057 -2.577 -18.944 340 HA SER 43 HA SER 43 -0.112 -3.446 -21.454 341 1HB SER 43 1HB SER 43 -1.999 -2.204 -20.912 342 2HB SER 43 2HB SER 43 -1.438 -2.631 -19.308 343 HG SER 43 HG SER 43 -1.645 -0.135 -20.493 344 H GLY 44 H GLY 44 2.643 -2.041 -20.741 345 1HA GLY 44 1HA GLY 44 2.794 -0.484 -23.105 346 2HA GLY 44 2HA GLY 44 4.018 -0.654 -21.864 347 H LYS 45 H LYS 45 3.719 0.640 -19.796 348 HA LYS 45 HA LYS 45 3.319 3.321 -20.414 349 1HB LYS 45 1HB LYS 45 0.887 2.355 -20.373 350 2HB LYS 45 2HB LYS 45 1.085 2.381 -18.632 351 1HG LYS 45 1HG LYS 45 1.495 4.769 -18.616 352 2HG LYS 45 2HG LYS 45 1.687 4.820 -20.357 353 1HD LYS 45 1HD LYS 45 -0.536 5.165 -20.621 354 2HD LYS 45 2HD LYS 45 -0.890 3.652 -19.810 355 1HE LYS 45 1HE LYS 45 -0.299 6.256 -18.326 356 2HE LYS 45 2HE LYS 45 -1.918 5.715 -18.719 357 1HZ LYS 45 1HZ LYS 45 -1.477 3.704 -17.467 358 2HZ LYS 45 2HZ LYS 45 0.022 4.230 -17.085 359 3HZ LYS 45 3HZ LYS 45 -1.290 5.027 -16.528 360 H GLU 46 H GLU 46 4.365 4.556 -18.883 361 HA GLU 46 HA GLU 46 5.488 3.031 -16.713 362 1HB GLU 46 1HB GLU 46 6.646 4.791 -18.399 363 2HB GLU 46 2HB GLU 46 6.168 5.925 -17.152 364 1HG GLU 46 1HG GLU 46 7.505 4.876 -15.493 365 2HG GLU 46 2HG GLU 46 7.581 3.360 -16.370 366 H ALA 47 H ALA 47 4.786 3.169 -14.616 367 HA ALA 47 HA ALA 47 3.358 5.583 -13.815 368 1HB ALA 47 1HB ALA 47 2.112 3.061 -14.417 369 2HB ALA 47 2HB ALA 47 1.363 4.555 -13.803 370 3HB ALA 47 3HB ALA 47 2.004 3.348 -12.663 371 H ALA 48 H ALA 48 2.827 5.211 -11.265 372 HA ALA 48 HA ALA 48 4.799 3.630 -9.925 373 1HB ALA 48 1HB ALA 48 5.169 6.427 -9.122 374 2HB ALA 48 2HB ALA 48 6.382 5.181 -9.503 375 3HB ALA 48 3HB ALA 48 5.645 6.135 -10.812 376 H CYS 49 H CYS 49 4.405 3.576 -7.608 377 HA CYS 49 HA CYS 49 1.692 3.814 -6.996 378 1HB CYS 49 1HB CYS 49 4.011 3.554 -5.072 379 2HB CYS 49 2HB CYS 49 2.329 3.196 -4.736 380 H ALA 50 H ALA 50 4.197 6.137 -7.271 381 HA ALA 50 HA ALA 50 2.899 7.933 -5.351 382 1HB ALA 50 1HB ALA 50 5.233 7.735 -4.909 383 2HB ALA 50 2HB ALA 50 5.039 9.283 -5.766 384 3HB ALA 50 3HB ALA 50 5.648 7.855 -6.636 385 H SER 51 H SER 51 2.394 6.992 -8.407 386 HA SER 51 HA SER 51 2.559 9.492 -9.738 387 1HB SER 51 1HB SER 51 1.491 8.314 -11.609 388 2HB SER 51 2HB SER 51 2.777 7.330 -10.939 389 HG SER 51 HG SER 51 0.095 6.996 -9.970 390 H CYS 52 H CYS 52 0.153 7.658 -7.868 391 HA CYS 52 HA CYS 52 -1.782 9.786 -8.434 392 1HB CYS 52 1HB CYS 52 -2.355 6.909 -7.647 393 2HB CYS 52 2HB CYS 52 -3.557 8.159 -7.895 394 H HIS 53 H HIS 53 -0.414 7.499 -6.090 395 HA HIS 53 HA HIS 53 -1.594 8.913 -3.785 396 1HB HIS 53 1HB HIS 53 0.358 6.548 -3.894 397 2HB HIS 53 2HB HIS 53 -0.607 7.116 -2.464 398 HD1 HIS 53 HD1 HIS 53 -3.341 7.165 -3.260 399 HD2 HIS 53 HD2 HIS 53 -0.770 4.290 -4.871 400 HE1 HIS 53 HE1 HIS 53 -4.841 5.230 -4.065 401 H THR 54 H THR 54 0.636 9.977 -5.800 402 HA THR 54 HA THR 54 2.505 11.192 -5.686 403 HB THR 54 HB THR 54 2.487 12.837 -3.780 404 HG1 THR 54 HG1 THR 54 1.794 11.606 -2.017 405 1HG2 THR 54 1HG2 THR 54 0.084 12.173 -5.403 406 2HG2 THR 54 2HG2 THR 54 -0.285 13.051 -3.899 407 3HG2 THR 54 3HG2 THR 54 0.831 13.758 -5.092 408 H ASN 55 H ASN 55 4.576 11.733 -4.371 409 HA ASN 55 HA ASN 55 5.896 9.405 -3.974 410 1HB ASN 55 1HB ASN 55 7.610 10.830 -2.753 411 2HB ASN 55 2HB ASN 55 7.093 11.517 -4.280 412 1HD2 ASN 55 2HD2 ASN 55 6.019 13.408 -4.356 413 2HD2 ASN 55 1HD2 ASN 55 5.664 14.408 -2.987 414 H ASN 56 H ASN 56 3.736 11.195 -1.836 415 HA ASN 56 HA ASN 56 4.356 9.279 0.268 416 1HB ASN 56 1HB ASN 56 4.958 11.927 0.524 417 2HB ASN 56 2HB ASN 56 3.278 11.995 1.019 418 1HD2 ASN 56 2HD2 ASN 56 3.552 12.384 3.135 419 2HD2 ASN 56 1HD2 ASN 56 4.287 11.300 4.267 420 HA PRO 57 HA PRO 57 -0.015 8.534 -0.364 421 1HB PRO 57 1HB PRO 57 -0.302 6.647 1.605 422 2HB PRO 57 2HB PRO 57 0.587 6.325 0.081 423 1HG PRO 57 1HG PRO 57 1.808 7.025 2.762 424 2HG PRO 57 2HG PRO 57 2.164 5.755 1.546 425 1HD PRO 57 1HD PRO 57 3.501 8.194 1.691 426 2HD PRO 57 2HD PRO 57 3.270 7.297 0.160 427 H ALA 58 H ALA 58 1.460 9.226 2.888 428 HA ALA 58 HA ALA 58 -0.951 9.795 4.172 429 1HB ALA 58 1HB ALA 58 1.936 10.092 4.627 430 2HB ALA 58 2HB ALA 58 0.984 11.401 5.367 431 3HB ALA 58 3HB ALA 58 0.635 9.704 5.778 432 H ASN 59 H ASN 59 0.657 11.393 1.584 433 HA ASN 59 HA ASN 59 -0.363 13.976 2.320 434 1HB ASN 59 1HB ASN 59 1.885 13.370 1.021 435 2HB ASN 59 2HB ASN 59 0.843 13.288 -0.386 436 1HD2 ASN 59 2HD2 ASN 59 2.952 15.121 0.024 437 2HD2 ASN 59 1HD2 ASN 59 2.309 16.729 0.063 438 H VAL 60 H VAL 60 -1.482 15.181 0.263 439 HA VAL 60 HA VAL 60 -3.820 13.642 -0.322 440 HB VAL 60 HB VAL 60 -2.882 16.428 -1.004 441 1HG1 VAL 60 1HG1 VAL 60 -5.428 15.002 -1.808 442 2HG1 VAL 60 2HG1 VAL 60 -5.309 16.775 -1.718 443 3HG1 VAL 60 3HG1 VAL 60 -4.267 15.869 -2.842 444 1HG2 VAL 60 1HG2 VAL 60 -3.869 15.408 1.349 445 2HG2 VAL 60 2HG2 VAL 60 -3.956 17.114 0.850 446 3HG2 VAL 60 3HG2 VAL 60 -5.341 16.032 0.567 447 H GLY 61 H GLY 61 -4.154 12.351 -2.056 448 1HA GLY 61 1HA GLY 61 -3.310 11.115 -3.836 449 2HA GLY 61 2HA GLY 61 -2.135 12.369 -4.176 450 H LYS 62 H LYS 62 -3.375 11.507 -6.376 451 HA LYS 62 HA LYS 62 -5.844 12.855 -6.856 452 1HB LYS 62 1HB LYS 62 -4.472 14.819 -6.967 453 2HB LYS 62 2HB LYS 62 -3.281 14.018 -7.971 454 1HG LYS 62 1HG LYS 62 -4.949 13.775 -9.799 455 2HG LYS 62 2HG LYS 62 -6.183 14.506 -8.792 456 1HD LYS 62 1HD LYS 62 -4.649 16.570 -8.616 457 2HD LYS 62 2HD LYS 62 -3.656 15.837 -9.860 458 1HE LYS 62 1HE LYS 62 -6.530 15.843 -10.563 459 2HE LYS 62 2HE LYS 62 -5.900 17.456 -10.297 460 1HZ LYS 62 1HZ LYS 62 -4.000 16.148 -11.761 461 2HZ LYS 62 2HZ LYS 62 -5.419 15.722 -12.447 462 3HZ LYS 62 3HZ LYS 62 -5.027 17.300 -12.296 463 H ASN 63 H ASN 63 -6.922 11.856 -8.524 464 HA ASN 63 HA ASN 63 -5.588 9.587 -9.621 465 1HB ASN 63 1HB ASN 63 -8.417 10.708 -9.750 466 2HB ASN 63 2HB ASN 63 -7.946 9.401 -10.819 467 1HD2 ASN 63 2HD2 ASN 63 -9.944 9.087 -8.988 468 2HD2 ASN 63 1HD2 ASN 63 -9.476 7.982 -7.739 469 H ILE 64 H ILE 64 -4.783 9.452 -11.750 470 HA ILE 64 HA ILE 64 -4.845 11.892 -13.300 471 HB ILE 64 HB ILE 64 -3.085 10.975 -14.538 472 1HG1 ILE 64 1HG1 ILE 64 -3.779 8.255 -13.388 473 2HG1 ILE 64 2HG1 ILE 64 -4.096 8.790 -15.027 474 1HG2 ILE 64 1HG2 ILE 64 -2.810 11.428 -11.940 475 2HG2 ILE 64 2HG2 ILE 64 -2.413 9.693 -11.927 476 3HG2 ILE 64 3HG2 ILE 64 -1.469 10.815 -12.936 477 1HD1 ILE 64 1HD1 ILE 64 -1.452 9.346 -14.956 478 2HD1 ILE 64 2HD1 ILE 64 -1.490 8.050 -13.736 479 3HD1 ILE 64 3HD1 ILE 64 -2.069 7.733 -15.389 480 H VAL 65 H VAL 65 -7.121 9.679 -12.810 481 HA VAL 65 HA VAL 65 -7.668 9.055 -15.593 482 HB VAL 65 HB VAL 65 -8.943 8.290 -12.966 483 1HG1 VAL 65 1HG1 VAL 65 -10.113 8.297 -15.615 484 2HG1 VAL 65 2HG1 VAL 65 -9.962 6.633 -15.001 485 3HG1 VAL 65 3HG1 VAL 65 -10.843 7.855 -14.053 486 1HG2 VAL 65 1HG2 VAL 65 -7.028 7.017 -14.865 487 2HG2 VAL 65 2HG2 VAL 65 -7.131 6.910 -13.091 488 3HG2 VAL 65 3HG2 VAL 65 -8.246 5.964 -14.106 489 H THR 66 H THR 66 -9.252 10.728 -12.784 490 HA THR 66 HA THR 66 -10.855 12.211 -14.761 491 HB THR 66 HB THR 66 -12.459 12.472 -12.855 492 HG1 THR 66 HG1 THR 66 -11.804 11.516 -10.851 493 1HG2 THR 66 1HG2 THR 66 -11.820 9.983 -14.131 494 2HG2 THR 66 2HG2 THR 66 -12.064 9.626 -12.404 495 3HG2 THR 66 3HG2 THR 66 -13.351 10.427 -13.338 496 H GLY 67 H GLY 67 -8.616 12.433 -11.998 497 1HA GLY 67 1HA GLY 67 -7.986 15.147 -12.758 498 2HA GLY 67 2HA GLY 67 -7.216 14.169 -11.524 499 H LYS 68 H LYS 68 -9.755 13.418 -10.156 500 HA LYS 68 HA LYS 68 -10.964 15.898 -9.370 501 1HB LYS 68 1HB LYS 68 -11.352 12.994 -8.712 502 2HB LYS 68 2HB LYS 68 -12.032 14.210 -7.650 503 1HG LYS 68 1HG LYS 68 -12.493 14.708 -10.553 504 2HG LYS 68 2HG LYS 68 -13.262 13.260 -9.933 505 1HD LYS 68 1HD LYS 68 -13.606 15.494 -8.066 506 2HD LYS 68 2HD LYS 68 -14.181 15.930 -9.663 507 1HE LYS 68 1HE LYS 68 -15.566 13.835 -9.726 508 2HE LYS 68 2HE LYS 68 -15.007 13.426 -8.116 509 1HZ LYS 68 1HZ LYS 68 -16.102 16.067 -8.398 510 2HZ LYS 68 2HZ LYS 68 -17.173 14.850 -8.595 511 3HZ LYS 68 3HZ LYS 68 -16.319 14.969 -7.208 512 H GLU 69 H GLU 69 -10.050 13.463 -6.946 513 HA GLU 69 HA GLU 69 -7.737 14.636 -6.047 514 1HB GLU 69 1HB GLU 69 -8.375 16.062 -4.244 515 2HB GLU 69 2HB GLU 69 -9.345 16.581 -5.608 516 1HG GLU 69 1HG GLU 69 -11.235 15.120 -4.765 517 2HG GLU 69 2HG GLU 69 -10.264 14.727 -3.359 518 H ILE 70 H ILE 70 -6.798 13.045 -4.830 519 HA ILE 70 HA ILE 70 -8.636 11.200 -3.468 520 HB ILE 70 HB ILE 70 -5.904 10.629 -4.623 521 1HG1 ILE 70 1HG1 ILE 70 -7.973 11.115 -6.187 522 2HG1 ILE 70 2HG1 ILE 70 -6.856 9.809 -6.530 523 1HG2 ILE 70 1HG2 ILE 70 -7.904 8.977 -3.102 524 2HG2 ILE 70 2HG2 ILE 70 -6.798 8.219 -4.273 525 3HG2 ILE 70 3HG2 ILE 70 -6.143 9.117 -2.882 526 1HD1 ILE 70 1HD1 ILE 70 -9.094 9.082 -4.700 527 2HD1 ILE 70 2HD1 ILE 70 -9.571 9.488 -6.366 528 3HD1 ILE 70 3HD1 ILE 70 -8.403 8.178 -6.069 529 HA PRO 71 HA PRO 71 -6.891 13.524 -0.005 530 1HB PRO 71 1HB PRO 71 -8.687 11.484 1.323 531 2HB PRO 71 2HB PRO 71 -8.552 13.256 1.563 532 1HG PRO 71 1HG PRO 71 -10.436 12.139 0.283 533 2HG PRO 71 2HG PRO 71 -10.043 13.803 -0.260 534 1HD PRO 71 1HD PRO 71 -9.598 11.190 -1.613 535 2HD PRO 71 2HD PRO 71 -9.473 12.842 -2.290 536 HA PRO 72 HA PRO 72 -3.581 11.171 1.630 537 1HB PRO 72 1HB PRO 72 -5.102 10.933 4.244 538 2HB PRO 72 2HB PRO 72 -3.414 11.443 3.918 539 1HG PRO 72 1HG PRO 72 -5.474 13.337 4.381 540 2HG PRO 72 2HG PRO 72 -3.928 13.363 3.471 541 1HD PRO 72 1HD PRO 72 -6.779 13.290 2.491 542 2HD PRO 72 2HD PRO 72 -5.314 13.913 1.673 543 H LEU 73 H LEU 73 -3.083 8.964 1.439 544 HA LEU 73 HA LEU 73 -5.394 7.181 1.494 545 1HB LEU 73 1HB LEU 73 -4.224 7.148 -0.562 546 2HB LEU 73 2HB LEU 73 -2.666 7.024 0.230 547 HG LEU 73 HG LEU 73 -3.772 4.752 1.153 548 1HD1 LEU 73 1HD1 LEU 73 -5.880 5.342 -0.190 549 2HD1 LEU 73 2HD1 LEU 73 -4.936 4.876 -1.625 550 3HD1 LEU 73 3HD1 LEU 73 -5.232 3.690 -0.331 551 1HD2 LEU 73 1HD2 LEU 73 -2.121 5.420 -1.226 552 2HD2 LEU 73 2HD2 LEU 73 -1.750 4.408 0.190 553 3HD2 LEU 73 3HD2 LEU 73 -2.764 3.764 -1.124 554 H ALA 74 H ALA 74 -2.458 8.055 3.211 555 HA ALA 74 HA ALA 74 -1.629 5.849 4.456 556 1HB ALA 74 1HB ALA 74 -0.584 7.850 5.068 557 2HB ALA 74 2HB ALA 74 -2.125 8.665 5.426 558 3HB ALA 74 3HB ALA 74 -1.487 7.435 6.544 559 HA PRO 75 HA PRO 75 -5.605 4.290 5.911 560 1HB PRO 75 1HB PRO 75 -3.941 1.840 6.297 561 2HB PRO 75 2HB PRO 75 -5.410 2.106 5.302 562 1HG PRO 75 1HG PRO 75 -2.923 1.800 4.046 563 2HG PRO 75 2HG PRO 75 -4.351 2.781 3.581 564 1HD PRO 75 1HD PRO 75 -1.824 3.612 5.118 565 2HD PRO 75 2HD PRO 75 -2.549 4.384 3.675 566 H ARG 76 H ARG 76 -4.370 6.020 7.674 567 HA ARG 76 HA ARG 76 -4.708 4.614 10.081 568 1HB ARG 76 1HB ARG 76 -2.338 3.971 9.583 569 2HB ARG 76 2HB ARG 76 -1.900 5.663 9.458 570 1HG ARG 76 1HG ARG 76 -1.913 5.980 11.740 571 2HG ARG 76 2HG ARG 76 -3.308 4.948 11.984 572 1HD ARG 76 1HD ARG 76 -0.570 3.816 11.261 573 2HD ARG 76 2HD ARG 76 -1.049 4.097 12.923 574 HE ARG 76 HE ARG 76 -2.987 2.532 11.353 575 1HH1 ARG 76 1HH1 ARG 76 -3.360 0.375 12.008 576 2HH1 ARG 76 2HH1 ARG 76 -2.287 -0.386 13.134 577 1HH2 ARG 76 1HH2 ARG 76 -0.188 2.422 13.482 578 2HH2 ARG 76 2HH2 ARG 76 -0.470 0.787 13.979 579 H VAL 77 H VAL 77 -3.086 7.499 8.569 580 HA VAL 77 HA VAL 77 -3.349 9.308 10.565 581 HB VAL 77 HB VAL 77 -3.521 9.501 7.575 582 1HG1 VAL 77 1HG1 VAL 77 -4.284 11.575 9.527 583 2HG1 VAL 77 2HG1 VAL 77 -3.060 12.092 8.342 584 3HG1 VAL 77 3HG1 VAL 77 -4.625 11.454 7.784 585 1HG2 VAL 77 1HG2 VAL 77 -1.364 8.974 8.752 586 2HG2 VAL 77 2HG2 VAL 77 -1.321 10.446 7.752 587 3HG2 VAL 77 3HG2 VAL 77 -1.458 10.576 9.522 588 H ASN 78 H ASN 78 -5.876 8.184 8.256 589 HA ASN 78 HA ASN 78 -7.767 9.913 9.585 590 1HB ASN 78 1HB ASN 78 -8.419 7.952 7.346 591 2HB ASN 78 2HB ASN 78 -9.242 9.448 7.743 592 1HD2 ASN 78 2HD2 ASN 78 -8.700 9.251 5.237 593 2HD2 ASN 78 1HD2 ASN 78 -7.335 10.184 4.723 594 H THR 79 H THR 79 -9.827 8.951 10.449 595 HA THR 79 HA THR 79 -9.316 6.409 11.732 596 HB THR 79 HB THR 79 -11.613 7.077 12.782 597 HG1 THR 79 HG1 THR 79 -12.463 8.759 11.622 598 1HG2 THR 79 1HG2 THR 79 -9.118 8.825 12.948 599 2HG2 THR 79 2HG2 THR 79 -10.570 9.191 13.911 600 3HG2 THR 79 3HG2 THR 79 -9.715 7.647 14.141 601 H LYS 80 H LYS 80 -11.518 7.774 9.241 602 HA LYS 80 HA LYS 80 -12.870 5.248 8.987 603 1HB LYS 80 1HB LYS 80 -13.092 7.938 7.642 604 2HB LYS 80 2HB LYS 80 -13.920 6.536 6.996 605 1HG LYS 80 1HG LYS 80 -14.345 6.614 9.863 606 2HG LYS 80 2HG LYS 80 -14.710 8.196 9.204 607 1HD LYS 80 1HD LYS 80 -16.593 7.449 8.149 608 2HD LYS 80 2HD LYS 80 -15.781 6.033 7.512 609 1HE LYS 80 1HE LYS 80 -16.669 4.706 9.129 610 2HE LYS 80 2HE LYS 80 -16.080 5.760 10.398 611 1HZ LYS 80 1HZ LYS 80 -17.996 7.176 10.009 612 2HZ LYS 80 2HZ LYS 80 -18.552 6.157 8.860 613 3HZ LYS 80 3HZ LYS 80 -18.455 5.661 10.413 614 H ARG 81 H ARG 81 -10.270 4.604 8.748 615 HA ARG 81 HA ARG 81 -10.154 3.923 5.959 616 1HB ARG 81 1HB ARG 81 -8.015 5.504 7.435 617 2HB ARG 81 2HB ARG 81 -7.567 4.460 6.101 618 1HG ARG 81 1HG ARG 81 -9.817 6.471 5.768 619 2HG ARG 81 2HG ARG 81 -8.149 6.989 5.624 620 1HD ARG 81 1HD ARG 81 -7.887 4.984 3.946 621 2HD ARG 81 2HD ARG 81 -9.639 4.969 3.905 622 HE ARG 81 HE ARG 81 -7.872 7.077 2.830 623 1HH1 ARG 81 1HH1 ARG 81 -8.851 8.671 1.518 624 2HH1 ARG 81 2HH1 ARG 81 -10.577 8.800 1.455 625 1HH2 ARG 81 1HH2 ARG 81 -11.152 6.147 3.699 626 2HH2 ARG 81 2HH2 ARG 81 -11.895 7.355 2.704 627 H PHE 82 H PHE 82 -9.291 1.833 5.655 628 HA PHE 82 HA PHE 82 -8.607 -0.193 6.187 629 1HB PHE 82 1HB PHE 82 -6.858 1.741 7.615 630 2HB PHE 82 2HB PHE 82 -6.904 0.196 8.440 631 HD1 PHE 82 HD1 PHE 82 -4.521 -0.125 7.973 632 HD2 PHE 82 HD2 PHE 82 -7.337 0.265 4.823 633 HE1 PHE 82 HE1 PHE 82 -2.836 -1.040 6.353 634 HE2 PHE 82 HE2 PHE 82 -5.652 -0.650 3.203 635 HZ PHE 82 HZ PHE 82 -3.422 -1.292 3.987 636 H THR 83 H THR 83 -11.047 0.019 7.111 637 HA THR 83 HA THR 83 -10.974 -0.660 9.970 638 HB THR 83 HB THR 83 -13.310 0.163 8.166 639 HG1 THR 83 HG1 THR 83 -11.569 1.785 8.525 640 1HG2 THR 83 1HG2 THR 83 -13.408 -1.016 10.684 641 2HG2 THR 83 2HG2 THR 83 -13.317 0.715 11.090 642 3HG2 THR 83 3HG2 THR 83 -14.632 0.111 10.053 643 H ASP 84 H ASP 84 -12.746 -1.650 6.957 644 HA ASP 84 HA ASP 84 -13.157 -4.213 8.163 645 1HB ASP 84 1HB ASP 84 -13.794 -3.489 5.284 646 2HB ASP 84 2HB ASP 84 -14.610 -4.650 6.311 647 H ILE 85 H ILE 85 -11.485 -5.720 8.017 648 HA ILE 85 HA ILE 85 -9.378 -5.415 6.158 649 HB ILE 85 HB ILE 85 -10.164 -7.610 8.068 650 1HG1 ILE 85 1HG1 ILE 85 -7.839 -5.681 8.222 651 2HG1 ILE 85 2HG1 ILE 85 -9.408 -5.325 8.915 652 1HG2 ILE 85 1HG2 ILE 85 -8.135 -7.595 5.930 653 2HG2 ILE 85 2HG2 ILE 85 -7.533 -8.065 7.538 654 3HG2 ILE 85 3HG2 ILE 85 -8.888 -8.953 6.801 655 1HD1 ILE 85 1HD1 ILE 85 -8.315 -8.018 9.594 656 2HD1 ILE 85 2HD1 ILE 85 -7.423 -6.631 10.263 657 3HD1 ILE 85 3HD1 ILE 85 -9.153 -6.836 10.628 658 H ASP 86 H ASP 86 -12.234 -7.620 6.400 659 HA ASP 86 HA ASP 86 -11.792 -9.345 4.467 660 1HB ASP 86 1HB ASP 86 -13.948 -8.877 5.828 661 2HB ASP 86 2HB ASP 86 -14.392 -7.756 4.556 662 H LYS 87 H LYS 87 -13.344 -6.084 3.909 663 HA LYS 87 HA LYS 87 -12.780 -6.317 1.075 664 1HB LYS 87 1HB LYS 87 -14.574 -4.691 2.797 665 2HB LYS 87 2HB LYS 87 -13.963 -3.897 1.359 666 1HG LYS 87 1HG LYS 87 -14.948 -5.486 -0.104 667 2HG LYS 87 2HG LYS 87 -15.072 -6.709 1.145 668 1HD LYS 87 1HD LYS 87 -17.252 -6.056 1.317 669 2HD LYS 87 2HD LYS 87 -16.628 -4.695 2.227 670 1HE LYS 87 1HE LYS 87 -16.273 -3.681 -0.257 671 2HE LYS 87 2HE LYS 87 -17.570 -4.799 -0.632 672 1HZ LYS 87 1HZ LYS 87 -18.497 -3.680 1.571 673 2HZ LYS 87 2HZ LYS 87 -17.630 -2.427 0.983 674 3HZ LYS 87 3HZ LYS 87 -18.809 -3.102 0.076 675 H VAL 88 H VAL 88 -10.450 -6.272 1.162 676 HA VAL 88 HA VAL 88 -9.350 -3.798 0.723 677 HB VAL 88 HB VAL 88 -9.831 -4.113 3.442 678 1HG1 VAL 88 1HG1 VAL 88 -7.881 -5.738 3.420 679 2HG1 VAL 88 2HG1 VAL 88 -6.841 -4.351 3.014 680 3HG1 VAL 88 3HG1 VAL 88 -7.740 -4.370 4.550 681 1HG2 VAL 88 1HG2 VAL 88 -8.271 -2.252 1.706 682 2HG2 VAL 88 2HG2 VAL 88 -9.658 -1.935 2.776 683 3HG2 VAL 88 3HG2 VAL 88 -8.030 -2.135 3.466 684 H GLU 89 H GLU 89 -9.021 -7.142 1.916 685 HA GLU 89 HA GLU 89 -6.310 -7.372 1.241 686 1HB GLU 89 1HB GLU 89 -7.232 -8.911 2.841 687 2HB GLU 89 2HB GLU 89 -8.521 -9.393 1.756 688 1HG GLU 89 1HG GLU 89 -6.002 -9.851 0.413 689 2HG GLU 89 2HG GLU 89 -5.893 -10.542 2.019 690 H ASP 90 H ASP 90 -9.369 -8.456 -0.397 691 HA ASP 90 HA ASP 90 -8.059 -9.481 -2.618 692 1HB ASP 90 1HB ASP 90 -10.373 -10.077 -2.092 693 2HB ASP 90 2HB ASP 90 -10.885 -8.405 -2.213 694 H GLU 91 H GLU 91 -9.646 -6.300 -1.885 695 HA GLU 91 HA GLU 91 -9.415 -5.177 -4.368 696 1HB GLU 91 1HB GLU 91 -9.489 -4.038 -1.564 697 2HB GLU 91 2HB GLU 91 -9.285 -2.965 -2.934 698 1HG GLU 91 1HG GLU 91 -11.469 -4.999 -3.193 699 2HG GLU 91 2HG GLU 91 -11.726 -3.757 -1.983 700 H PHE 92 H PHE 92 -6.933 -6.068 -2.122 701 HA PHE 92 HA PHE 92 -5.046 -4.102 -3.050 702 1HB PHE 92 1HB PHE 92 -5.443 -5.934 -0.857 703 2HB PHE 92 2HB PHE 92 -3.982 -6.472 -1.662 704 HD1 PHE 92 HD1 PHE 92 -2.708 -4.001 -2.507 705 HD2 PHE 92 HD2 PHE 92 -4.804 -4.853 1.082 706 HE1 PHE 92 HE1 PHE 92 -1.396 -2.221 -1.319 707 HE2 PHE 92 HE2 PHE 92 -3.493 -3.073 2.271 708 HZ PHE 92 HZ PHE 92 -1.804 -1.779 1.056 709 H THR 93 H THR 93 -5.993 -7.461 -3.742 710 HA THR 93 HA THR 93 -3.600 -7.923 -5.317 711 HB THR 93 HB THR 93 -5.973 -9.498 -4.306 712 HG1 THR 93 HG1 THR 93 -3.059 -9.643 -4.560 713 1HG2 THR 93 1HG2 THR 93 -4.116 -10.351 -6.590 714 2HG2 THR 93 2HG2 THR 93 -5.196 -11.443 -5.690 715 3HG2 THR 93 3HG2 THR 93 -5.881 -10.153 -6.708 716 H LYS 94 H LYS 94 -7.039 -7.082 -5.767 717 HA LYS 94 HA LYS 94 -7.011 -7.543 -8.558 718 1HB LYS 94 1HB LYS 94 -8.862 -5.797 -6.908 719 2HB LYS 94 2HB LYS 94 -9.159 -6.382 -8.532 720 1HG LYS 94 1HG LYS 94 -8.441 -8.545 -6.639 721 2HG LYS 94 2HG LYS 94 -9.896 -7.685 -6.175 722 1HD LYS 94 1HD LYS 94 -10.247 -8.023 -8.928 723 2HD LYS 94 2HD LYS 94 -9.436 -9.506 -8.465 724 1HE LYS 94 1HE LYS 94 -11.742 -8.524 -6.769 725 2HE LYS 94 2HE LYS 94 -12.095 -9.294 -8.303 726 1HZ LYS 94 1HZ LYS 94 -10.312 -10.526 -6.330 727 2HZ LYS 94 2HZ LYS 94 -11.926 -10.776 -6.320 728 3HZ LYS 94 3HZ LYS 94 -11.036 -11.236 -7.610 729 H HIS 95 H HIS 95 -6.052 -4.969 -6.436 730 HA HIS 95 HA HIS 95 -5.984 -2.835 -8.377 731 1HB HIS 95 1HB HIS 95 -6.101 -2.660 -5.849 732 2HB HIS 95 2HB HIS 95 -4.348 -3.135 -5.803 733 HD1 HIS 95 HD1 HIS 95 -4.958 -0.982 -8.612 734 HD2 HIS 95 HD2 HIS 95 -4.258 -0.436 -4.528 735 HE1 HIS 95 HE1 HIS 95 -4.219 1.471 -8.332 736 H CYS 96 H CYS 96 -3.333 -4.801 -6.900 737 HA CYS 96 HA CYS 96 -1.251 -3.896 -8.545 738 1HB CYS 96 1HB CYS 96 -1.792 -6.433 -7.000 739 2HB CYS 96 2HB CYS 96 -0.340 -6.302 -8.023 740 H ASN 97 H ASN 97 -3.942 -6.120 -9.259 741 HA ASN 97 HA ASN 97 -2.606 -7.239 -11.495 742 1HB ASN 97 1HB ASN 97 -5.144 -7.590 -10.068 743 2HB ASN 97 2HB ASN 97 -5.432 -7.549 -11.796 744 1HD2 ASN 97 2HD2 ASN 97 -4.870 -9.526 -9.296 745 2HD2 ASN 97 1HD2 ASN 97 -4.102 -10.874 -10.066 746 H ASP 98 H ASP 98 -4.154 -4.256 -10.761 747 HA ASP 98 HA ASP 98 -4.752 -3.830 -13.583 748 1HB ASP 98 1HB ASP 98 -6.088 -2.997 -11.049 749 2HB ASP 98 2HB ASP 98 -5.953 -1.724 -12.247 750 H ILE 99 H ILE 99 -2.397 -3.399 -11.311 751 HA ILE 99 HA ILE 99 -1.729 -0.702 -12.269 752 HB ILE 99 HB ILE 99 -1.105 -1.991 -9.610 753 1HG1 ILE 99 1HG1 ILE 99 -3.469 -1.172 -9.999 754 2HG1 ILE 99 2HG1 ILE 99 -2.625 -0.483 -8.626 755 1HG2 ILE 99 1HG2 ILE 99 0.726 -0.548 -10.562 756 2HG2 ILE 99 2HG2 ILE 99 -0.417 0.816 -10.505 757 3HG2 ILE 99 3HG2 ILE 99 0.060 -0.009 -9.002 758 1HD1 ILE 99 1HD1 ILE 99 -2.400 0.952 -11.265 759 2HD1 ILE 99 2HD1 ILE 99 -3.933 1.069 -10.369 760 3HD1 ILE 99 3HD1 ILE 99 -2.417 1.616 -9.614 761 H LEU 100 H LEU 100 -0.389 -3.870 -11.116 762 HA LEU 100 HA LEU 100 1.995 -3.307 -12.710 763 1HB LEU 100 1HB LEU 100 1.411 -5.229 -10.464 764 2HB LEU 100 2HB LEU 100 2.851 -5.352 -11.455 765 HG LEU 100 HG LEU 100 2.076 -2.977 -9.738 766 1HD1 LEU 100 1HD1 LEU 100 4.228 -5.078 -9.362 767 2HD1 LEU 100 2HD1 LEU 100 4.002 -3.629 -8.353 768 3HD1 LEU 100 3HD1 LEU 100 2.745 -4.888 -8.395 769 1HD2 LEU 100 1HD2 LEU 100 4.401 -3.432 -11.607 770 2HD2 LEU 100 2HD2 LEU 100 3.262 -2.066 -11.548 771 3HD2 LEU 100 3HD2 LEU 100 4.475 -2.270 -10.261 772 H GLY 101 H GLY 101 -0.991 -5.091 -12.669 773 1HA GLY 101 1HA GLY 101 -0.208 -6.393 -15.171 774 2HA GLY 101 2HA GLY 101 -1.832 -6.147 -14.561 775 H ALA 102 H ALA 102 -0.476 -7.079 -11.786 776 HA ALA 102 HA ALA 102 -1.413 -9.756 -12.034 777 1HB ALA 102 1HB ALA 102 0.864 -9.923 -13.072 778 2HB ALA 102 2HB ALA 102 0.689 -10.896 -11.592 779 3HB ALA 102 3HB ALA 102 1.563 -9.346 -11.540 780 H ASP 103 H ASP 103 -0.472 -10.915 -9.768 781 HA ASP 103 HA ASP 103 -1.510 -9.110 -7.796 782 1HB ASP 103 1HB ASP 103 -2.108 -11.616 -8.059 783 2HB ASP 103 2HB ASP 103 -0.524 -11.968 -7.398 784 H CYS 104 H CYS 104 -0.234 -8.059 -6.345 785 HA CYS 104 HA CYS 104 2.599 -8.023 -6.564 786 1HB CYS 104 1HB CYS 104 0.603 -6.973 -4.541 787 2HB CYS 104 2HB CYS 104 2.358 -6.771 -4.309 788 H SER 105 H SER 105 4.193 -8.601 -4.782 789 HA SER 105 HA SER 105 3.765 -11.269 -4.059 790 1HB SER 105 1HB SER 105 6.004 -10.271 -4.535 791 2HB SER 105 2HB SER 105 5.877 -9.293 -3.086 792 HG SER 105 HG SER 105 6.530 -12.001 -3.365 793 HA PRO 106 HA PRO 106 1.613 -10.956 -0.241 794 1HB PRO 106 1HB PRO 106 2.734 -13.141 1.061 795 2HB PRO 106 2HB PRO 106 1.525 -13.265 -0.259 796 1HG PRO 106 1HG PRO 106 4.566 -13.572 -0.568 797 2HG PRO 106 2HG PRO 106 3.188 -14.561 -1.150 798 1HD PRO 106 1HD PRO 106 4.376 -12.643 -2.711 799 2HD PRO 106 2HD PRO 106 2.609 -12.925 -2.770 800 H SER 107 H SER 107 5.127 -10.748 -0.541 801 HA SER 107 HA SER 107 5.377 -10.074 2.248 802 1HB SER 107 1HB SER 107 7.767 -10.047 1.844 803 2HB SER 107 2HB SER 107 7.104 -11.468 1.062 804 HG SER 107 HG SER 107 8.098 -10.732 -0.686 805 H GLU 108 H GLU 108 5.644 -8.590 -1.034 806 HA GLU 108 HA GLU 108 6.527 -6.115 -0.203 807 1HB GLU 108 1HB GLU 108 4.732 -6.748 -2.587 808 2HB GLU 108 2HB GLU 108 5.728 -5.318 -2.403 809 1HG GLU 108 1HG GLU 108 7.113 -7.972 -2.123 810 2HG GLU 108 2HG GLU 108 6.570 -7.532 -3.731 811 H LYS 109 H LYS 109 3.521 -7.689 0.362 812 HA LYS 109 HA LYS 109 1.966 -5.265 0.474 813 1HB LYS 109 1HB LYS 109 1.099 -7.536 -0.253 814 2HB LYS 109 2HB LYS 109 1.205 -8.038 1.422 815 1HG LYS 109 1HG LYS 109 -0.935 -7.225 1.552 816 2HG LYS 109 2HG LYS 109 -0.138 -5.676 1.744 817 1HD LYS 109 1HD LYS 109 -1.784 -5.388 0.003 818 2HD LYS 109 2HD LYS 109 -0.220 -5.396 -0.787 819 1HE LYS 109 1HE LYS 109 -0.640 -7.996 -1.049 820 2HE LYS 109 2HE LYS 109 -2.316 -7.590 -0.736 821 1HZ LYS 109 1HZ LYS 109 -1.427 -5.766 -2.573 822 2HZ LYS 109 2HZ LYS 109 -0.832 -7.200 -3.080 823 3HZ LYS 109 3HZ LYS 109 -2.438 -7.020 -2.844 824 H ALA 110 H ALA 110 2.609 -7.852 2.944 825 HA ALA 110 HA ALA 110 1.931 -6.506 5.158 826 1HB ALA 110 1HB ALA 110 3.391 -8.824 4.500 827 2HB ALA 110 2HB ALA 110 2.799 -8.350 6.110 828 3HB ALA 110 3HB ALA 110 4.445 -7.905 5.600 829 H ASN 111 H ASN 111 4.737 -5.908 3.073 830 HA ASN 111 HA ASN 111 6.192 -4.422 4.926 831 1HB ASN 111 1HB ASN 111 7.265 -5.259 2.894 832 2HB ASN 111 2HB ASN 111 6.112 -4.427 1.869 833 1HD2 ASN 111 2HD2 ASN 111 7.735 -3.261 4.794 834 2HD2 ASN 111 1HD2 ASN 111 8.610 -1.957 4.066 835 H PHE 112 H PHE 112 4.367 -3.314 1.959 836 HA PHE 112 HA PHE 112 4.367 -0.654 2.422 837 1HB PHE 112 1HB PHE 112 3.422 -1.979 0.452 838 2HB PHE 112 2HB PHE 112 2.056 -2.440 1.448 839 HD1 PHE 112 HD1 PHE 112 0.120 -1.316 0.946 840 HD2 PHE 112 HD2 PHE 112 3.805 0.763 0.615 841 HE1 PHE 112 HE1 PHE 112 -1.109 0.747 0.215 842 HE2 PHE 112 HE2 PHE 112 2.576 2.825 -0.116 843 HZ PHE 112 HZ PHE 112 0.134 2.793 -0.307 844 H ILE 113 H ILE 113 2.042 -3.089 3.753 845 HA ILE 113 HA ILE 113 0.310 -1.312 4.961 846 HB ILE 113 HB ILE 113 1.089 -4.158 5.376 847 1HG1 ILE 113 1HG1 ILE 113 -1.739 -3.470 5.173 848 2HG1 ILE 113 2HG1 ILE 113 -0.811 -2.794 3.849 849 1HG2 ILE 113 1HG2 ILE 113 0.837 -3.258 7.662 850 2HG2 ILE 113 2HG2 ILE 113 -0.793 -2.683 7.238 851 3HG2 ILE 113 3HG2 ILE 113 -0.436 -4.427 7.237 852 1HD1 ILE 113 1HD1 ILE 113 0.279 -5.140 3.622 853 2HD1 ILE 113 2HD1 ILE 113 -1.031 -5.709 4.683 854 3HD1 ILE 113 3HD1 ILE 113 -1.417 -4.977 3.107 855 H ALA 114 H ALA 114 3.551 -2.441 5.923 856 HA ALA 114 HA ALA 114 3.365 -1.454 8.580 857 1HB ALA 114 1HB ALA 114 5.671 -2.058 8.715 858 2HB ALA 114 2HB ALA 114 4.914 -3.268 7.651 859 3HB ALA 114 3HB ALA 114 5.880 -1.947 6.951 860 H TYR 115 H TYR 115 5.451 -0.386 5.868 861 HA TYR 115 HA TYR 115 6.271 2.048 6.788 862 1HB TYR 115 1HB TYR 115 6.156 0.715 4.317 863 2HB TYR 115 2HB TYR 115 5.403 2.292 4.024 864 HD1 TYR 115 HD1 TYR 115 6.692 4.394 4.690 865 HD2 TYR 115 HD2 TYR 115 8.496 0.502 4.477 866 HE1 TYR 115 HE1 TYR 115 8.936 5.441 4.556 867 HE2 TYR 115 HE2 TYR 115 10.740 1.549 4.343 868 HH TYR 115 HH TYR 115 11.860 3.724 4.946 869 H LEU 116 H LEU 116 2.965 1.187 5.715 870 HA LEU 116 HA LEU 116 2.151 3.929 5.588 871 1HB LEU 116 1HB LEU 116 0.861 1.257 5.274 872 2HB LEU 116 2HB LEU 116 -0.159 2.642 5.610 873 HG LEU 116 HG LEU 116 1.802 2.530 3.305 874 1HD1 LEU 116 1HD1 LEU 116 -1.016 1.557 3.535 875 2HD1 LEU 116 2HD1 LEU 116 -0.492 2.324 2.017 876 3HD1 LEU 116 3HD1 LEU 116 0.361 0.887 2.628 877 1HD2 LEU 116 1HD2 LEU 116 0.816 4.751 4.368 878 2HD2 LEU 116 2HD2 LEU 116 1.007 4.551 2.609 879 3HD2 LEU 116 3HD2 LEU 116 -0.588 4.317 3.364 880 H LEU 117 H LEU 117 1.787 1.165 7.892 881 HA LEU 117 HA LEU 117 0.555 2.981 9.798 882 1HB LEU 117 1HB LEU 117 -0.193 1.125 10.920 883 2HB LEU 117 2HB LEU 117 -0.256 0.619 9.243 884 HG LEU 117 HG LEU 117 2.239 -0.248 9.943 885 1HD1 LEU 117 1HD1 LEU 117 1.121 0.433 12.396 886 2HD1 LEU 117 2HD1 LEU 117 0.908 -1.331 12.291 887 3HD1 LEU 117 3HD1 LEU 117 2.530 -0.618 12.117 888 1HD2 LEU 117 1HD2 LEU 117 0.002 -1.357 8.958 889 2HD2 LEU 117 2HD2 LEU 117 1.415 -2.304 9.482 890 3HD2 LEU 117 3HD2 LEU 117 0.018 -2.116 10.568 891 H THR 118 H THR 118 3.346 3.405 8.932 892 HA THR 118 HA THR 118 4.764 2.699 11.410 893 HB THR 118 HB THR 118 5.642 3.371 8.561 894 HG1 THR 118 HG1 THR 118 6.078 1.209 10.501 895 1HG2 THR 118 1HG2 THR 118 7.330 2.993 11.091 896 2HG2 THR 118 2HG2 THR 118 7.975 2.947 9.432 897 3HG2 THR 118 3HG2 THR 118 7.278 4.453 10.074 898 H GLU 119 H GLU 119 4.330 5.441 9.074 899 HA GLU 119 HA GLU 119 4.502 7.167 11.411 900 1HB GLU 119 1HB GLU 119 5.760 8.829 9.954 901 2HB GLU 119 2HB GLU 119 6.666 7.395 10.396 902 1HG GLU 119 1HG GLU 119 6.449 6.430 8.228 903 2HG GLU 119 2HG GLU 119 5.086 7.447 7.805 904 H THR 120 H THR 120 2.768 8.533 11.565 905 HA THR 120 HA THR 120 1.105 8.815 9.156 906 HB THR 120 HB THR 120 -0.748 9.023 10.697 907 HG1 THR 120 HG1 THR 120 1.489 9.764 12.307 908 1HG2 THR 120 1HG2 THR 120 1.287 7.031 11.825 909 2HG2 THR 120 2HG2 THR 120 -0.406 7.125 12.365 910 3HG2 THR 120 3HG2 THR 120 -0.032 6.673 10.684 911 H LYS 121 H LYS 121 3.332 10.358 9.006 912 HA LYS 121 HA LYS 121 2.197 13.002 9.559 913 1HB LYS 121 1HB LYS 121 5.090 12.202 10.000 914 2HB LYS 121 2HB LYS 121 4.447 13.826 10.135 915 1HG LYS 121 1HG LYS 121 3.083 13.250 12.034 916 2HG LYS 121 2HG LYS 121 3.274 11.530 11.753 917 1HD LYS 121 1HD LYS 121 5.122 11.488 13.064 918 2HD LYS 121 2HD LYS 121 5.912 12.663 12.031 919 1HE LYS 121 1HE LYS 121 3.913 13.436 14.206 920 2HE LYS 121 2HE LYS 121 5.643 13.363 14.478 921 1HZ LYS 121 1HZ LYS 121 5.676 14.867 12.389 922 2HZ LYS 121 2HZ LYS 121 4.139 15.211 12.822 923 3HZ LYS 121 3HZ LYS 121 5.365 15.511 13.858 924 HA PRO 122 HA PRO 122 3.052 13.663 5.315 925 1HB PRO 122 1HB PRO 122 2.913 16.398 5.261 926 2HB PRO 122 2HB PRO 122 1.483 15.367 5.594 927 1HG PRO 122 1HG PRO 122 3.245 16.892 7.634 928 2HG PRO 122 2HG PRO 122 1.484 16.668 7.376 929 1HD PRO 122 1HD PRO 122 3.152 15.147 9.115 930 2HD PRO 122 2HD PRO 122 1.534 14.652 8.532 931 H THR 123 H THR 123 4.657 14.889 3.836 932 HA THR 123 HA THR 123 7.262 14.696 5.042 933 HB THR 123 HB THR 123 6.147 15.236 2.253 934 HG1 THR 123 HG1 THR 123 6.207 13.035 2.724 935 1HG2 THR 123 1HG2 THR 123 9.067 15.065 3.167 936 2HG2 THR 123 2HG2 THR 123 8.527 14.967 1.474 937 3HG2 THR 123 3HG2 THR 123 8.297 16.472 2.395 938 H LYS 124 H LYS 124 5.504 17.337 3.273 939 HA LYS 124 HA LYS 124 7.352 19.229 4.459 940 1HB LYS 124 1HB LYS 124 6.981 19.587 2.157 941 2HB LYS 124 2HB LYS 124 5.247 19.381 2.303 942 1HG LYS 124 1HG LYS 124 4.937 21.572 2.832 943 2HG LYS 124 2HG LYS 124 6.174 21.522 4.073 944 1HD LYS 124 1HD LYS 124 7.203 21.454 1.270 945 2HD LYS 124 2HD LYS 124 6.391 22.940 1.720 946 1HE LYS 124 1HE LYS 124 8.003 23.521 3.288 947 2HE LYS 124 2HE LYS 124 8.333 21.858 3.731 948 1HZ LYS 124 1HZ LYS 124 9.124 23.012 1.151 949 2HZ LYS 124 2HZ LYS 124 10.107 22.964 2.455 950 3HZ LYS 124 3HZ LYS 124 9.588 21.574 1.771 No H/Q in entry = 950 Start of MODEL 11 1 H1 ASP 1 H1 ASP 1 -8.070 0.590 15.808 2 H2 ASP 1 H2 ASP 1 -9.459 1.488 15.721 3 H3 ASP 1 H3 ASP 1 -9.545 -0.159 15.871 4 HA ASP 1 HA ASP 1 -9.891 -0.132 13.781 5 1HB ASP 1 1HB ASP 1 -9.513 2.562 14.055 6 2HB ASP 1 2HB ASP 1 -8.107 2.178 13.082 7 H VAL 2 H VAL 2 -6.618 1.056 14.805 8 HA VAL 2 HA VAL 2 -5.107 0.014 12.764 9 HB VAL 2 HB VAL 2 -4.543 0.420 15.701 10 1HG1 VAL 2 1HG1 VAL 2 -3.017 -1.299 14.699 11 2HG1 VAL 2 2HG1 VAL 2 -2.486 -0.071 13.525 12 3HG1 VAL 2 3HG1 VAL 2 -2.189 0.173 15.263 13 1HG2 VAL 2 1HG2 VAL 2 -4.476 2.105 13.267 14 2HG2 VAL 2 2HG2 VAL 2 -4.714 2.555 14.972 15 3HG2 VAL 2 3HG2 VAL 2 -3.072 2.266 14.349 16 H THR 3 H THR 3 -6.869 -1.618 15.328 17 HA THR 3 HA THR 3 -5.451 -3.949 15.627 18 HB THR 3 HB THR 3 -8.394 -3.186 15.673 19 HG1 THR 3 HG1 THR 3 -7.816 -3.766 17.970 20 1HG2 THR 3 1HG2 THR 3 -7.233 -5.926 15.610 21 2HG2 THR 3 2HG2 THR 3 -8.200 -5.587 17.066 22 3HG2 THR 3 3HG2 THR 3 -8.931 -5.417 15.452 23 H ASN 4 H ASN 4 -7.125 -2.760 12.780 24 HA ASN 4 HA ASN 4 -7.307 -5.348 11.618 25 1HB ASN 4 1HB ASN 4 -7.395 -2.825 9.956 26 2HB ASN 4 2HB ASN 4 -8.394 -4.259 9.829 27 1HD2 ASN 4 2HD2 ASN 4 -8.965 -4.471 12.642 28 2HD2 ASN 4 1HD2 ASN 4 -10.092 -3.224 13.060 29 H ALA 5 H ALA 5 -5.326 -2.328 11.218 30 HA ALA 5 HA ALA 5 -3.746 -3.184 9.110 31 1HB ALA 5 1HB ALA 5 -3.151 -1.036 9.397 32 2HB ALA 5 2HB ALA 5 -2.175 -1.537 10.799 33 3HB ALA 5 3HB ALA 5 -3.861 -1.016 11.029 34 H GLU 6 H GLU 6 -3.178 -3.405 12.690 35 HA GLU 6 HA GLU 6 -0.738 -4.596 12.576 36 1HB GLU 6 1HB GLU 6 -1.165 -5.346 14.853 37 2HB GLU 6 2HB GLU 6 -1.885 -3.763 14.640 38 1HG GLU 6 1HG GLU 6 -4.114 -4.742 14.341 39 2HG GLU 6 2HG GLU 6 -3.450 -6.364 14.312 40 H LYS 7 H LYS 7 -3.991 -6.017 12.125 41 HA LYS 7 HA LYS 7 -3.199 -8.702 12.303 42 1HB LYS 7 1HB LYS 7 -5.533 -7.816 12.489 43 2HB LYS 7 2HB LYS 7 -5.525 -7.516 10.763 44 1HG LYS 7 1HG LYS 7 -6.390 -9.647 10.672 45 2HG LYS 7 2HG LYS 7 -4.701 -10.107 10.731 46 1HD LYS 7 1HD LYS 7 -4.930 -11.053 12.788 47 2HD LYS 7 2HD LYS 7 -5.737 -9.637 13.432 48 1HE LYS 7 1HE LYS 7 -7.899 -10.381 12.622 49 2HE LYS 7 2HE LYS 7 -7.175 -11.631 11.629 50 1HZ LYS 7 1HZ LYS 7 -6.936 -11.573 14.554 51 2HZ LYS 7 2HZ LYS 7 -8.098 -12.403 13.763 52 3HZ LYS 7 3HZ LYS 7 -6.527 -12.799 13.557 53 H LEU 8 H LEU 8 -3.754 -6.550 9.427 54 HA LEU 8 HA LEU 8 -3.060 -8.321 7.479 55 1HB LEU 8 1HB LEU 8 -2.680 -5.343 7.707 56 2HB LEU 8 2HB LEU 8 -2.267 -6.225 6.250 57 HG LEU 8 HG LEU 8 -4.965 -5.698 7.453 58 1HD1 LEU 8 1HD1 LEU 8 -3.549 -4.590 5.361 59 2HD1 LEU 8 2HD1 LEU 8 -4.656 -5.719 4.544 60 3HD1 LEU 8 3HD1 LEU 8 -5.304 -4.462 5.626 61 1HD2 LEU 8 1HD2 LEU 8 -4.184 -8.107 5.843 62 2HD2 LEU 8 2HD2 LEU 8 -5.284 -7.973 7.236 63 3HD2 LEU 8 3HD2 LEU 8 -5.795 -7.378 5.638 64 H VAL 9 H VAL 9 -0.930 -6.433 9.665 65 HA VAL 9 HA VAL 9 1.460 -7.080 8.330 66 HB VAL 9 HB VAL 9 0.865 -6.278 11.184 67 1HG1 VAL 9 1HG1 VAL 9 3.282 -7.300 10.112 68 2HG1 VAL 9 2HG1 VAL 9 3.505 -5.544 10.300 69 3HG1 VAL 9 3HG1 VAL 9 3.020 -6.534 11.697 70 1HG2 VAL 9 1HG2 VAL 9 1.641 -4.705 8.710 71 2HG2 VAL 9 2HG2 VAL 9 0.156 -4.559 9.682 72 3HG2 VAL 9 3HG2 VAL 9 1.719 -4.046 10.362 73 H TYR 10 H TYR 10 -0.166 -8.436 11.217 74 HA TYR 10 HA TYR 10 1.704 -10.618 11.480 75 1HB TYR 10 1HB TYR 10 0.186 -9.491 13.252 76 2HB TYR 10 2HB TYR 10 -1.097 -10.528 12.605 77 HD1 TYR 10 HD1 TYR 10 -1.043 -12.946 12.916 78 HD2 TYR 10 HD2 TYR 10 2.065 -10.432 14.489 79 HE1 TYR 10 HE1 TYR 10 -0.254 -14.814 14.344 80 HE2 TYR 10 HE2 TYR 10 2.854 -12.300 15.917 81 HH TYR 10 HH TYR 10 1.099 -15.053 16.583 82 H LYS 11 H LYS 11 -0.570 -9.991 9.080 83 HA LYS 11 HA LYS 11 -1.298 -12.820 8.868 84 1HB LYS 11 1HB LYS 11 -3.013 -10.848 8.847 85 2HB LYS 11 2HB LYS 11 -2.475 -10.610 7.196 86 1HG LYS 11 1HG LYS 11 -4.319 -12.104 7.000 87 2HG LYS 11 2HG LYS 11 -2.911 -13.133 6.832 88 1HD LYS 11 1HD LYS 11 -3.403 -14.295 8.729 89 2HD LYS 11 2HD LYS 11 -3.670 -12.831 9.654 90 1HE LYS 11 1HE LYS 11 -5.802 -13.871 9.648 91 2HE LYS 11 2HE LYS 11 -5.946 -12.650 8.399 92 1HZ LYS 11 1HZ LYS 11 -4.958 -14.795 7.095 93 2HZ LYS 11 2HZ LYS 11 -6.005 -15.471 8.151 94 3HZ LYS 11 3HZ LYS 11 -6.523 -14.328 7.106 95 H TYR 12 H TYR 12 -0.649 -10.154 6.568 96 HA TYR 12 HA TYR 12 0.292 -11.722 4.465 97 1HB TYR 12 1HB TYR 12 1.022 -8.908 5.329 98 2HB TYR 12 2HB TYR 12 1.510 -9.617 3.781 99 HD1 TYR 12 HD1 TYR 12 -0.521 -10.710 2.409 100 HD2 TYR 12 HD2 TYR 12 -0.896 -7.616 5.365 101 HE1 TYR 12 HE1 TYR 12 -2.684 -10.018 1.411 102 HE2 TYR 12 HE2 TYR 12 -3.059 -6.925 4.368 103 HH TYR 12 HH TYR 12 -4.244 -7.107 2.090 104 H THR 13 H THR 13 1.863 -10.964 7.538 105 HA THR 13 HA THR 13 4.505 -11.503 6.523 106 HB THR 13 HB THR 13 3.339 -11.138 9.334 107 HG1 THR 13 HG1 THR 13 4.973 -9.483 7.545 108 1HG2 THR 13 1HG2 THR 13 6.156 -11.516 8.277 109 2HG2 THR 13 2HG2 THR 13 5.883 -10.377 9.616 110 3HG2 THR 13 3HG2 THR 13 5.449 -12.093 9.805 111 H ASN 14 H ASN 14 2.175 -13.209 8.718 112 HA ASN 14 HA ASN 14 3.711 -15.417 9.114 113 1HB ASN 14 1HB ASN 14 1.099 -14.608 9.734 114 2HB ASN 14 2HB ASN 14 0.824 -16.018 8.731 115 1HD2 ASN 14 2HD2 ASN 14 0.079 -17.285 10.373 116 2HD2 ASN 14 1HD2 ASN 14 1.071 -17.918 11.643 117 H ILE 15 H ILE 15 1.092 -14.856 6.636 118 HA ILE 15 HA ILE 15 1.241 -17.250 5.323 119 HB ILE 15 HB ILE 15 0.448 -14.475 4.582 120 1HG1 ILE 15 1HG1 ILE 15 -1.294 -16.833 4.134 121 2HG1 ILE 15 2HG1 ILE 15 -0.850 -16.527 5.801 122 1HG2 ILE 15 1HG2 ILE 15 0.839 -16.739 2.620 123 2HG2 ILE 15 2HG2 ILE 15 -0.299 -15.400 2.336 124 3HG2 ILE 15 3HG2 ILE 15 1.439 -15.065 2.525 125 1HD1 ILE 15 1HD1 ILE 15 -1.590 -14.131 5.524 126 2HD1 ILE 15 2HD1 ILE 15 -2.144 -14.537 3.882 127 3HD1 ILE 15 3HD1 ILE 15 -2.906 -15.307 5.295 128 H ALA 16 H ALA 16 3.180 -14.245 4.738 129 HA ALA 16 HA ALA 16 4.645 -15.275 2.602 130 1HB ALA 16 1HB ALA 16 4.808 -13.001 4.517 131 2HB ALA 16 2HB ALA 16 4.922 -13.013 2.741 132 3HB ALA 16 3HB ALA 16 6.334 -13.463 3.726 133 H HIS 17 H HIS 17 5.178 -15.351 6.171 134 HA HIS 17 HA HIS 17 7.710 -16.554 5.982 135 1HB HIS 17 1HB HIS 17 6.771 -15.274 7.934 136 2HB HIS 17 2HB HIS 17 5.755 -16.655 8.293 137 HD1 HIS 17 HD1 HIS 17 9.512 -16.048 7.736 138 HD2 HIS 17 HD2 HIS 17 6.908 -18.321 10.112 139 HE1 HIS 17 HE1 HIS 17 10.983 -17.358 9.356 140 H SER 18 H SER 18 4.383 -17.748 5.831 141 HA SER 18 HA SER 18 5.053 -20.415 6.436 142 1HB SER 18 1HB SER 18 2.767 -19.540 6.725 143 2HB SER 18 2HB SER 18 2.644 -19.206 5.009 144 HG SER 18 HG SER 18 2.075 -21.236 4.667 145 H ALA 19 H ALA 19 5.394 -18.360 3.644 146 HA ALA 19 HA ALA 19 5.566 -20.663 1.851 147 1HB ALA 19 1HB ALA 19 4.514 -18.069 1.594 148 2HB ALA 19 2HB ALA 19 6.031 -18.039 0.663 149 3HB ALA 19 3HB ALA 19 4.780 -19.248 0.287 150 H ASN 20 H ASN 20 7.449 -18.198 3.565 151 HA ASN 20 HA ASN 20 9.823 -19.515 2.553 152 1HB ASN 20 1HB ASN 20 9.039 -16.912 1.741 153 2HB ASN 20 2HB ASN 20 10.250 -16.627 2.975 154 1HD2 ASN 20 2HD2 ASN 20 12.024 -18.571 2.767 155 2HD2 ASN 20 1HD2 ASN 20 12.790 -18.622 1.214 156 HA PRO 21 HA PRO 21 10.281 -19.230 7.034 157 1HB PRO 21 1HB PRO 21 12.200 -21.141 7.269 158 2HB PRO 21 2HB PRO 21 10.508 -21.557 6.840 159 1HG PRO 21 1HG PRO 21 12.819 -21.099 5.153 160 2HG PRO 21 2HG PRO 21 11.766 -22.533 4.926 161 1HD PRO 21 1HD PRO 21 11.524 -20.361 3.319 162 2HD PRO 21 2HD PRO 21 10.058 -21.197 3.915 163 H MET 22 H MET 22 11.427 -17.130 5.372 164 HA MET 22 HA MET 22 13.858 -16.788 6.883 165 1HB MET 22 1HB MET 22 15.178 -16.201 4.884 166 2HB MET 22 2HB MET 22 14.503 -17.800 4.644 167 1HG MET 22 1HG MET 22 12.597 -16.761 3.343 168 2HG MET 22 2HG MET 22 13.359 -15.194 3.526 169 1HE MET 22 1HE MET 22 12.807 -15.443 0.984 170 2HE MET 22 2HE MET 22 14.296 -14.469 1.034 171 3HE MET 22 3HE MET 22 14.138 -15.793 -0.145 172 H TYR 23 H TYR 23 11.227 -15.687 7.067 173 HA TYR 23 HA TYR 23 11.905 -12.842 6.829 174 1HB TYR 23 1HB TYR 23 10.859 -13.401 4.660 175 2HB TYR 23 2HB TYR 23 9.443 -14.040 5.513 176 HD1 TYR 23 HD1 TYR 23 7.612 -12.650 5.785 177 HD2 TYR 23 HD2 TYR 23 11.510 -10.902 5.338 178 HE1 TYR 23 HE1 TYR 23 6.599 -10.387 5.798 179 HE2 TYR 23 HE2 TYR 23 10.497 -8.639 5.351 180 HH TYR 23 HH TYR 23 8.114 -7.622 4.785 181 H GLU 24 H GLU 24 11.534 -12.121 8.908 182 HA GLU 24 HA GLU 24 9.429 -13.466 10.366 183 1HB GLU 24 1HB GLU 24 11.750 -11.684 11.167 184 2HB GLU 24 2HB GLU 24 10.443 -12.004 12.290 185 1HG GLU 24 1HG GLU 24 11.518 -14.428 10.927 186 2HG GLU 24 2HG GLU 24 12.667 -13.615 11.971 187 H ALA 25 H ALA 25 10.520 -10.153 9.393 188 HA ALA 25 HA ALA 25 7.829 -9.292 9.116 189 1HB ALA 25 1HB ALA 25 9.180 -7.612 11.154 190 2HB ALA 25 2HB ALA 25 8.674 -9.222 11.719 191 3HB ALA 25 3HB ALA 25 7.475 -8.105 11.024 192 HA PRO 26 HA PRO 26 9.637 -6.192 6.606 193 1HB PRO 26 1HB PRO 26 8.302 -3.982 8.134 194 2HB PRO 26 2HB PRO 26 8.087 -4.525 6.438 195 1HG PRO 26 1HG PRO 26 5.939 -5.321 8.268 196 2HG PRO 26 2HG PRO 26 6.746 -6.216 6.939 197 1HD PRO 26 1HD PRO 26 7.597 -6.075 9.903 198 2HD PRO 26 2HD PRO 26 6.965 -7.514 9.047 199 H SER 27 H SER 27 11.136 -4.219 6.545 200 HA SER 27 HA SER 27 12.474 -3.974 9.126 201 1HB SER 27 1HB SER 27 13.526 -5.098 6.776 202 2HB SER 27 2HB SER 27 14.190 -3.476 6.786 203 HG SER 27 HG SER 27 15.103 -5.542 8.155 204 H ILE 28 H ILE 28 10.377 -2.397 7.327 205 HA ILE 28 HA ILE 28 10.000 -0.309 6.644 206 HB ILE 28 HB ILE 28 10.524 1.399 8.370 207 1HG1 ILE 28 1HG1 ILE 28 11.896 -0.890 9.810 208 2HG1 ILE 28 2HG1 ILE 28 12.716 0.468 9.067 209 1HG2 ILE 28 1HG2 ILE 28 9.117 -1.174 8.901 210 2HG2 ILE 28 2HG2 ILE 28 9.341 -0.049 10.262 211 3HG2 ILE 28 3HG2 ILE 28 8.484 0.486 8.797 212 1HD1 ILE 28 1HD1 ILE 28 10.616 1.518 10.744 213 2HD1 ILE 28 2HD1 ILE 28 11.550 0.328 11.682 214 3HD1 ILE 28 3HD1 ILE 28 12.377 1.711 10.925 215 H THR 29 H THR 29 11.973 -1.297 5.074 216 HA THR 29 HA THR 29 13.391 1.075 4.370 217 HB THR 29 HB THR 29 14.836 -1.273 5.679 218 HG1 THR 29 HG1 THR 29 14.741 1.657 5.815 219 1HG2 THR 29 1HG2 THR 29 15.772 0.633 3.553 220 2HG2 THR 29 2HG2 THR 29 16.831 0.454 4.972 221 3HG2 THR 29 3HG2 THR 29 16.409 -0.970 3.990 222 H ASP 30 H ASP 30 11.377 -0.521 3.148 223 HA ASP 30 HA ASP 30 12.893 -1.243 0.807 224 1HB ASP 30 1HB ASP 30 11.917 -3.222 2.557 225 2HB ASP 30 2HB ASP 30 10.693 -3.145 1.306 226 H GLY 31 H GLY 31 9.690 -0.966 2.488 227 1HA GLY 31 1HA GLY 31 7.787 0.081 1.887 228 2HA GLY 31 2HA GLY 31 7.943 -0.833 0.400 229 H LYS 32 H LYS 32 10.474 1.485 1.282 230 HA LYS 32 HA LYS 32 9.305 3.682 -0.097 231 1HB LYS 32 1HB LYS 32 11.540 4.715 0.251 232 2HB LYS 32 2HB LYS 32 10.802 4.113 1.722 233 1HG LYS 32 1HG LYS 32 12.573 2.750 2.099 234 2HG LYS 32 2HG LYS 32 12.332 1.958 0.555 235 1HD LYS 32 1HD LYS 32 13.702 3.624 -0.598 236 2HD LYS 32 2HD LYS 32 13.787 4.626 0.837 237 1HE LYS 32 1HE LYS 32 14.708 2.055 1.653 238 2HE LYS 32 2HE LYS 32 15.451 2.344 0.093 239 1HZ LYS 32 1HZ LYS 32 15.731 4.704 1.318 240 2HZ LYS 32 2HZ LYS 32 15.902 3.671 2.572 241 3HZ LYS 32 3HZ LYS 32 16.878 3.542 1.268 242 H ILE 33 H ILE 33 11.503 0.985 -0.906 243 HA ILE 33 HA ILE 33 12.039 2.120 -3.509 244 HB ILE 33 HB ILE 33 12.833 -0.538 -2.316 245 1HG1 ILE 33 1HG1 ILE 33 14.671 1.826 -2.556 246 2HG1 ILE 33 2HG1 ILE 33 13.579 1.720 -1.190 247 1HG2 ILE 33 1HG2 ILE 33 13.417 0.836 -4.900 248 2HG2 ILE 33 2HG2 ILE 33 14.728 -0.078 -4.116 249 3HG2 ILE 33 3HG2 ILE 33 13.203 -0.893 -4.538 250 1HD1 ILE 33 1HD1 ILE 33 15.026 -0.809 -1.803 251 2HD1 ILE 33 2HD1 ILE 33 16.058 0.541 -1.273 252 3HD1 ILE 33 3HD1 ILE 33 14.725 -0.021 -0.235 253 H PHE 34 H PHE 34 9.344 0.852 -2.178 254 HA PHE 34 HA PHE 34 8.650 -0.538 -4.670 255 1HB PHE 34 1HB PHE 34 8.829 -2.083 -2.711 256 2HB PHE 34 2HB PHE 34 7.846 -1.006 -1.738 257 HD1 PHE 34 HD1 PHE 34 5.637 -1.579 -1.448 258 HD2 PHE 34 HD2 PHE 34 7.609 -2.844 -4.985 259 HE1 PHE 34 HE1 PHE 34 3.575 -2.824 -2.152 260 HE2 PHE 34 HE2 PHE 34 5.547 -4.089 -5.690 261 HZ PHE 34 HZ PHE 34 3.554 -4.064 -4.265 262 H PHE 35 H PHE 35 8.420 2.354 -3.966 263 HA PHE 35 HA PHE 35 5.556 2.544 -4.413 264 1HB PHE 35 1HB PHE 35 6.133 2.800 -1.911 265 2HB PHE 35 2HB PHE 35 7.159 4.155 -2.337 266 HD1 PHE 35 HD1 PHE 35 3.645 3.045 -2.985 267 HD2 PHE 35 HD2 PHE 35 6.258 6.241 -2.005 268 HE1 PHE 35 HE1 PHE 35 1.678 4.594 -2.792 269 HE2 PHE 35 HE2 PHE 35 4.292 7.790 -1.812 270 HZ PHE 35 HZ PHE 35 2.026 6.948 -2.208 271 H ASN 36 H ASN 36 8.787 4.136 -4.204 272 HA ASN 36 HA ASN 36 7.820 6.138 -6.059 273 1HB ASN 36 1HB ASN 36 10.452 5.909 -4.506 274 2HB ASN 36 2HB ASN 36 10.053 7.245 -5.567 275 1HD2 ASN 36 2HD2 ASN 36 9.195 5.532 -2.627 276 2HD2 ASN 36 1HD2 ASN 36 8.322 6.809 -1.848 277 H ARG 37 H ARG 37 8.878 3.066 -6.289 278 HA ARG 37 HA ARG 37 11.092 3.402 -8.030 279 1HB ARG 37 1HB ARG 37 10.532 1.371 -6.481 280 2HB ARG 37 2HB ARG 37 9.405 0.880 -7.729 281 1HG ARG 37 1HG ARG 37 11.134 0.550 -9.341 282 2HG ARG 37 2HG ARG 37 12.285 1.523 -8.446 283 1HD ARG 37 1HD ARG 37 12.905 -0.225 -7.087 284 2HD ARG 37 2HD ARG 37 11.260 -0.801 -6.905 285 HE ARG 37 HE ARG 37 13.185 -1.611 -8.983 286 1HH1 ARG 37 1HH1 ARG 37 12.591 -3.362 -10.325 287 2HH1 ARG 37 2HH1 ARG 37 10.954 -3.928 -10.337 288 1HH2 ARG 37 1HH2 ARG 37 9.814 -1.578 -7.973 289 2HH2 ARG 37 2HH2 ARG 37 9.364 -2.906 -8.990 290 H LYS 38 H LYS 38 10.307 4.716 -9.788 291 HA LYS 38 HA LYS 38 7.947 4.436 -11.120 292 1HB LYS 38 1HB LYS 38 9.317 6.316 -11.554 293 2HB LYS 38 2HB LYS 38 10.686 5.328 -12.026 294 1HG LYS 38 1HG LYS 38 9.275 4.456 -13.974 295 2HG LYS 38 2HG LYS 38 8.056 5.640 -13.545 296 1HD LYS 38 1HD LYS 38 9.478 6.563 -15.314 297 2HD LYS 38 2HD LYS 38 9.739 7.474 -13.839 298 1HE LYS 38 1HE LYS 38 11.883 6.890 -15.019 299 2HE LYS 38 2HE LYS 38 11.821 6.277 -13.378 300 1HZ LYS 38 1HZ LYS 38 10.739 4.457 -15.273 301 2HZ LYS 38 2HZ LYS 38 12.306 4.808 -15.571 302 3HZ LYS 38 3HZ LYS 38 11.866 4.207 -14.118 303 H PHE 39 H PHE 39 7.089 2.466 -11.638 304 HA PHE 39 HA PHE 39 8.844 0.647 -13.124 305 1HB PHE 39 1HB PHE 39 7.086 -1.041 -12.380 306 2HB PHE 39 2HB PHE 39 7.865 -0.249 -11.025 307 HD1 PHE 39 HD1 PHE 39 4.792 -0.288 -13.078 308 HD2 PHE 39 HD2 PHE 39 6.618 1.058 -9.492 309 HE1 PHE 39 HE1 PHE 39 2.549 0.419 -12.201 310 HE2 PHE 39 HE2 PHE 39 4.376 1.765 -8.615 311 HZ PHE 39 HZ PHE 39 2.368 1.438 -9.980 312 H LYS 40 H LYS 40 7.733 -0.674 -14.862 313 HA LYS 40 HA LYS 40 5.791 1.040 -16.245 314 1HB LYS 40 1HB LYS 40 8.295 0.027 -17.080 315 2HB LYS 40 2HB LYS 40 7.089 -0.892 -17.958 316 1HG LYS 40 1HG LYS 40 6.009 1.610 -18.197 317 2HG LYS 40 2HG LYS 40 7.704 2.038 -18.076 318 1HD LYS 40 1HD LYS 40 7.437 -0.231 -19.869 319 2HD LYS 40 2HD LYS 40 6.306 1.014 -20.361 320 1HE LYS 40 1HE LYS 40 9.064 1.955 -19.653 321 2HE LYS 40 2HE LYS 40 8.933 0.992 -21.111 322 1HZ LYS 40 1HZ LYS 40 7.095 3.212 -20.642 323 2HZ LYS 40 2HZ LYS 40 8.579 3.482 -21.269 324 3HZ LYS 40 3HZ LYS 40 7.520 2.522 -22.060 325 H THR 41 H THR 41 3.826 0.199 -16.859 326 HA THR 41 HA THR 41 3.184 -2.401 -15.745 327 HB THR 41 HB THR 41 0.918 -1.640 -15.979 328 HG1 THR 41 HG1 THR 41 0.725 0.385 -17.447 329 1HG2 THR 41 1HG2 THR 41 2.791 0.119 -14.805 330 2HG2 THR 41 2HG2 THR 41 1.845 1.155 -15.902 331 3HG2 THR 41 3HG2 THR 41 1.021 0.213 -14.636 332 HA PRO 42 HA PRO 42 3.407 -4.842 -19.311 333 1HB PRO 42 1HB PRO 42 1.168 -6.436 -18.974 334 2HB PRO 42 2HB PRO 42 2.653 -6.580 -17.979 335 1HG PRO 42 1HG PRO 42 -0.023 -5.089 -16.832 336 2HG PRO 42 2HG PRO 42 1.228 -6.355 -16.609 337 1HD PRO 42 1HD PRO 42 1.424 -3.546 -15.979 338 2HD PRO 42 2HD PRO 42 2.761 -4.736 -15.984 339 H SER 43 H SER 43 0.879 -2.532 -18.747 340 HA SER 43 HA SER 43 -0.502 -3.188 -21.169 341 1HB SER 43 1HB SER 43 -2.118 -1.655 -20.483 342 2HB SER 43 2HB SER 43 -1.460 -2.155 -18.938 343 HG SER 43 HG SER 43 -1.372 0.027 -18.757 344 H GLY 44 H GLY 44 2.393 -1.648 -20.372 345 1HA GLY 44 1HA GLY 44 2.553 -0.394 -22.979 346 2HA GLY 44 2HA GLY 44 3.841 -0.615 -21.811 347 H LYS 45 H LYS 45 3.480 0.701 -19.635 348 HA LYS 45 HA LYS 45 3.455 3.408 -20.359 349 1HB LYS 45 1HB LYS 45 0.943 2.763 -20.398 350 2HB LYS 45 2HB LYS 45 1.067 2.718 -18.651 351 1HG LYS 45 1HG LYS 45 1.661 5.034 -18.510 352 2HG LYS 45 2HG LYS 45 2.084 5.122 -20.208 353 1HD LYS 45 1HD LYS 45 -0.045 5.658 -20.781 354 2HD LYS 45 2HD LYS 45 -0.679 4.247 -19.958 355 1HE LYS 45 1HE LYS 45 -0.041 5.871 -17.809 356 2HE LYS 45 2HE LYS 45 -0.490 7.065 -19.010 357 1HZ LYS 45 1HZ LYS 45 -2.201 4.743 -18.663 358 2HZ LYS 45 2HZ LYS 45 -2.272 5.937 -17.551 359 3HZ LYS 45 3HZ LYS 45 -2.597 6.261 -19.118 360 H GLU 46 H GLU 46 4.503 4.615 -18.780 361 HA GLU 46 HA GLU 46 5.493 3.023 -16.599 362 1HB GLU 46 1HB GLU 46 6.781 4.727 -18.225 363 2HB GLU 46 2HB GLU 46 6.293 5.897 -17.014 364 1HG GLU 46 1HG GLU 46 7.506 4.803 -15.278 365 2HG GLU 46 2HG GLU 46 7.597 3.292 -16.162 366 H ALA 47 H ALA 47 4.693 3.128 -14.541 367 HA ALA 47 HA ALA 47 3.290 5.583 -13.773 368 1HB ALA 47 1HB ALA 47 2.231 2.900 -12.913 369 2HB ALA 47 2HB ALA 47 1.378 4.451 -13.099 370 3HB ALA 47 3HB ALA 47 1.830 3.506 -14.538 371 H ALA 48 H ALA 48 2.728 5.156 -11.190 372 HA ALA 48 HA ALA 48 4.776 3.718 -9.828 373 1HB ALA 48 1HB ALA 48 4.979 6.622 -9.219 374 2HB ALA 48 2HB ALA 48 6.246 5.374 -9.284 375 3HB ALA 48 3HB ALA 48 5.650 6.116 -10.788 376 H CYS 49 H CYS 49 4.389 3.701 -7.508 377 HA CYS 49 HA CYS 49 1.668 3.855 -6.898 378 1HB CYS 49 1HB CYS 49 4.024 3.677 -5.009 379 2HB CYS 49 2HB CYS 49 2.352 3.339 -4.605 380 H ALA 50 H ALA 50 4.130 6.242 -7.173 381 HA ALA 50 HA ALA 50 2.784 8.027 -5.283 382 1HB ALA 50 1HB ALA 50 5.161 7.868 -4.937 383 2HB ALA 50 2HB ALA 50 4.845 9.444 -5.701 384 3HB ALA 50 3HB ALA 50 5.488 8.097 -6.672 385 H SER 51 H SER 51 2.340 7.024 -8.365 386 HA SER 51 HA SER 51 2.342 9.506 -9.713 387 1HB SER 51 1HB SER 51 1.301 8.264 -11.549 388 2HB SER 51 2HB SER 51 2.617 7.323 -10.875 389 HG SER 51 HG SER 51 0.096 6.860 -9.690 390 H CYS 52 H CYS 52 0.104 7.703 -7.661 391 HA CYS 52 HA CYS 52 -1.936 9.724 -8.247 392 1HB CYS 52 1HB CYS 52 -2.341 6.804 -7.530 393 2HB CYS 52 2HB CYS 52 -3.625 7.996 -7.558 394 H HIS 53 H HIS 53 -0.501 7.459 -5.916 395 HA HIS 53 HA HIS 53 -1.657 8.858 -3.596 396 1HB HIS 53 1HB HIS 53 0.346 6.538 -3.765 397 2HB HIS 53 2HB HIS 53 -0.555 7.098 -2.291 398 HD1 HIS 53 HD1 HIS 53 -3.267 6.943 -2.670 399 HD2 HIS 53 HD2 HIS 53 -0.852 4.414 -4.959 400 HE1 HIS 53 HE1 HIS 53 -4.788 5.018 -3.459 401 H THR 54 H THR 54 0.486 10.000 -5.649 402 HA THR 54 HA THR 54 2.317 11.276 -5.575 403 HB THR 54 HB THR 54 2.304 12.893 -3.632 404 HG1 THR 54 HG1 THR 54 1.621 11.685 -1.867 405 1HG2 THR 54 1HG2 THR 54 -0.127 12.189 -5.219 406 2HG2 THR 54 2HG2 THR 54 -0.452 13.100 -3.725 407 3HG2 THR 54 3HG2 THR 54 0.633 13.778 -4.962 408 H ASN 55 H ASN 55 4.398 11.885 -4.288 409 HA ASN 55 HA ASN 55 5.806 9.593 -3.953 410 1HB ASN 55 1HB ASN 55 7.517 11.055 -2.802 411 2HB ASN 55 2HB ASN 55 6.897 11.774 -4.275 412 1HD2 ASN 55 2HD2 ASN 55 5.780 13.636 -4.228 413 2HD2 ASN 55 1HD2 ASN 55 5.457 14.574 -2.808 414 H ASN 56 H ASN 56 3.588 11.232 -1.779 415 HA ASN 56 HA ASN 56 4.323 9.330 0.294 416 1HB ASN 56 1HB ASN 56 4.902 11.987 0.573 417 2HB ASN 56 2HB ASN 56 3.243 12.015 1.137 418 1HD2 ASN 56 2HD2 ASN 56 3.524 12.314 3.252 419 2HD2 ASN 56 1HD2 ASN 56 4.348 11.236 4.328 420 HA PRO 57 HA PRO 57 -0.060 8.563 -0.196 421 1HB PRO 57 1HB PRO 57 -0.284 6.668 1.768 422 2HB PRO 57 2HB PRO 57 0.580 6.358 0.226 423 1HG PRO 57 1HG PRO 57 1.848 7.077 2.883 424 2HG PRO 57 2HG PRO 57 2.195 5.802 1.670 425 1HD PRO 57 1HD PRO 57 3.511 8.252 1.770 426 2HD PRO 57 2HD PRO 57 3.252 7.348 0.247 427 H ALA 58 H ALA 58 1.445 9.122 3.082 428 HA ALA 58 HA ALA 58 -0.903 9.711 4.415 429 1HB ALA 58 1HB ALA 58 1.701 11.147 4.954 430 2HB ALA 58 2HB ALA 58 1.561 9.393 5.224 431 3HB ALA 58 3HB ALA 58 0.504 10.517 6.111 432 H ASN 59 H ASN 59 0.668 11.388 1.824 433 HA ASN 59 HA ASN 59 -0.445 13.923 2.590 434 1HB ASN 59 1HB ASN 59 1.824 13.367 1.264 435 2HB ASN 59 2HB ASN 59 0.767 13.357 -0.133 436 1HD2 ASN 59 2HD2 ASN 59 2.731 15.166 -0.043 437 2HD2 ASN 59 1HD2 ASN 59 2.134 16.769 0.226 438 H VAL 60 H VAL 60 -1.631 15.126 0.597 439 HA VAL 60 HA VAL 60 -3.909 13.535 -0.027 440 HB VAL 60 HB VAL 60 -3.043 16.329 -0.788 441 1HG1 VAL 60 1HG1 VAL 60 -4.909 14.818 -2.155 442 2HG1 VAL 60 2HG1 VAL 60 -5.906 15.711 -0.982 443 3HG1 VAL 60 3HG1 VAL 60 -4.844 16.596 -2.103 444 1HG2 VAL 60 1HG2 VAL 60 -4.806 15.180 1.378 445 2HG2 VAL 60 2HG2 VAL 60 -3.447 16.320 1.521 446 3HG2 VAL 60 3HG2 VAL 60 -4.993 16.861 0.823 447 H GLY 61 H GLY 61 -4.366 12.393 -1.860 448 1HA GLY 61 1HA GLY 61 -3.460 11.117 -3.615 449 2HA GLY 61 2HA GLY 61 -2.289 12.379 -3.941 450 H LYS 62 H LYS 62 -3.562 11.500 -6.138 451 HA LYS 62 HA LYS 62 -6.014 12.886 -6.601 452 1HB LYS 62 1HB LYS 62 -4.600 14.821 -6.742 453 2HB LYS 62 2HB LYS 62 -3.445 13.989 -7.762 454 1HG LYS 62 1HG LYS 62 -5.165 13.762 -9.552 455 2HG LYS 62 2HG LYS 62 -6.349 14.551 -8.529 456 1HD LYS 62 1HD LYS 62 -4.663 16.539 -8.411 457 2HD LYS 62 2HD LYS 62 -3.835 15.761 -9.746 458 1HE LYS 62 1HE LYS 62 -6.348 15.688 -10.757 459 2HE LYS 62 2HE LYS 62 -6.548 17.065 -9.691 460 1HZ LYS 62 1HZ LYS 62 -4.299 16.873 -11.559 461 2HZ LYS 62 2HZ LYS 62 -5.728 17.537 -11.985 462 3HZ LYS 62 3HZ LYS 62 -4.846 18.200 -10.781 463 H ASN 63 H ASN 63 -7.129 11.897 -8.250 464 HA ASN 63 HA ASN 63 -5.840 9.599 -9.350 465 1HB ASN 63 1HB ASN 63 -8.662 10.743 -9.438 466 2HB ASN 63 2HB ASN 63 -8.221 9.414 -10.491 467 1HD2 ASN 63 2HD2 ASN 63 -10.184 9.025 -8.726 468 2HD2 ASN 63 1HD2 ASN 63 -9.705 7.980 -7.430 469 H ILE 64 H ILE 64 -5.010 9.488 -11.462 470 HA ILE 64 HA ILE 64 -5.125 11.903 -13.039 471 HB ILE 64 HB ILE 64 -3.380 10.982 -14.296 472 1HG1 ILE 64 1HG1 ILE 64 -3.987 8.269 -13.082 473 2HG1 ILE 64 2HG1 ILE 64 -4.418 8.772 -14.705 474 1HG2 ILE 64 1HG2 ILE 64 -3.235 11.146 -11.495 475 2HG2 ILE 64 2HG2 ILE 64 -2.333 9.679 -11.944 476 3HG2 ILE 64 3HG2 ILE 64 -1.899 11.247 -12.666 477 1HD1 ILE 64 1HD1 ILE 64 -1.943 9.245 -15.125 478 2HD1 ILE 64 2HD1 ILE 64 -1.610 8.472 -13.557 479 3HD1 ILE 64 3HD1 ILE 64 -2.351 7.531 -14.873 480 H VAL 65 H VAL 65 -7.360 9.635 -12.506 481 HA VAL 65 HA VAL 65 -7.943 8.993 -15.272 482 HB VAL 65 HB VAL 65 -9.222 8.279 -12.630 483 1HG1 VAL 65 1HG1 VAL 65 -10.280 8.088 -15.361 484 2HG1 VAL 65 2HG1 VAL 65 -10.255 6.530 -14.502 485 3HG1 VAL 65 3HG1 VAL 65 -11.108 7.922 -13.794 486 1HG2 VAL 65 1HG2 VAL 65 -7.644 6.638 -14.641 487 2HG2 VAL 65 2HG2 VAL 65 -7.078 7.184 -13.044 488 3HG2 VAL 65 3HG2 VAL 65 -8.410 6.009 -13.163 489 H THR 66 H THR 66 -9.526 10.695 -12.477 490 HA THR 66 HA THR 66 -11.127 12.159 -14.469 491 HB THR 66 HB THR 66 -12.725 12.441 -12.545 492 HG1 THR 66 HG1 THR 66 -12.082 11.412 -10.567 493 1HG2 THR 66 1HG2 THR 66 -12.391 10.119 -13.997 494 2HG2 THR 66 2HG2 THR 66 -12.121 9.519 -12.343 495 3HG2 THR 66 3HG2 THR 66 -13.651 10.330 -12.757 496 H GLY 67 H GLY 67 -8.890 12.401 -11.710 497 1HA GLY 67 1HA GLY 67 -8.262 15.109 -12.480 498 2HA GLY 67 2HA GLY 67 -7.505 14.143 -11.229 499 H LYS 68 H LYS 68 -10.033 13.402 -9.859 500 HA LYS 68 HA LYS 68 -11.291 15.868 -9.127 501 1HB LYS 68 1HB LYS 68 -11.591 12.976 -8.380 502 2HB LYS 68 2HB LYS 68 -12.295 14.203 -7.346 503 1HG LYS 68 1HG LYS 68 -12.774 14.476 -10.304 504 2HG LYS 68 2HG LYS 68 -13.606 13.170 -9.482 505 1HD LYS 68 1HD LYS 68 -13.882 15.463 -7.798 506 2HD LYS 68 2HD LYS 68 -14.187 16.024 -9.430 507 1HE LYS 68 1HE LYS 68 -16.315 15.255 -9.007 508 2HE LYS 68 2HE LYS 68 -15.636 13.716 -9.499 509 1HZ LYS 68 1HZ LYS 68 -15.027 14.051 -6.834 510 2HZ LYS 68 2HZ LYS 68 -16.601 14.456 -6.993 511 3HZ LYS 68 3HZ LYS 68 -16.081 12.989 -7.487 512 H GLU 69 H GLU 69 -10.289 13.539 -6.637 513 HA GLU 69 HA GLU 69 -8.002 14.787 -5.790 514 1HB GLU 69 1HB GLU 69 -8.690 16.228 -3.979 515 2HB GLU 69 2HB GLU 69 -9.550 16.750 -5.414 516 1HG GLU 69 1HG GLU 69 -11.512 15.284 -4.659 517 2HG GLU 69 2HG GLU 69 -10.655 15.022 -3.154 518 H ILE 70 H ILE 70 -7.049 13.184 -4.612 519 HA ILE 70 HA ILE 70 -8.850 11.397 -3.136 520 HB ILE 70 HB ILE 70 -6.111 10.822 -4.270 521 1HG1 ILE 70 1HG1 ILE 70 -8.158 11.240 -5.867 522 2HG1 ILE 70 2HG1 ILE 70 -7.052 9.909 -6.146 523 1HG2 ILE 70 1HG2 ILE 70 -8.147 9.101 -2.843 524 2HG2 ILE 70 2HG2 ILE 70 -6.809 8.440 -3.813 525 3HG2 ILE 70 3HG2 ILE 70 -6.462 9.435 -2.378 526 1HD1 ILE 70 1HD1 ILE 70 -9.405 9.389 -4.344 527 2HD1 ILE 70 2HD1 ILE 70 -9.709 9.538 -6.092 528 3HD1 ILE 70 3HD1 ILE 70 -8.588 8.295 -5.485 529 HA PRO 71 HA PRO 71 -7.047 13.131 0.489 530 1HB PRO 71 1HB PRO 71 -8.261 11.410 2.265 531 2HB PRO 71 2HB PRO 71 -9.142 12.716 1.407 532 1HG PRO 71 1HG PRO 71 -9.074 9.758 0.708 533 2HG PRO 71 2HG PRO 71 -10.382 10.978 0.839 534 1HD PRO 71 1HD PRO 71 -9.107 10.250 -1.549 535 2HD PRO 71 2HD PRO 71 -9.868 11.846 -1.275 536 HA PRO 72 HA PRO 72 -3.517 10.832 1.701 537 1HB PRO 72 1HB PRO 72 -3.880 10.440 4.453 538 2HB PRO 72 2HB PRO 72 -3.312 11.962 3.692 539 1HG PRO 72 1HG PRO 72 -5.774 11.015 4.264 540 2HG PRO 72 2HG PRO 72 -5.829 12.678 4.934 541 1HD PRO 72 1HD PRO 72 -6.899 12.788 2.719 542 2HD PRO 72 2HD PRO 72 -5.237 13.407 2.481 543 H LEU 73 H LEU 73 -2.958 8.635 1.553 544 HA LEU 73 HA LEU 73 -5.171 6.782 1.889 545 1HB LEU 73 1HB LEU 73 -4.276 6.277 -0.107 546 2HB LEU 73 2HB LEU 73 -2.695 6.913 0.302 547 HG LEU 73 HG LEU 73 -2.211 4.864 1.604 548 1HD1 LEU 73 1HD1 LEU 73 -4.906 4.487 1.707 549 2HD1 LEU 73 2HD1 LEU 73 -4.440 3.326 0.441 550 3HD1 LEU 73 3HD1 LEU 73 -3.688 3.236 2.052 551 1HD2 LEU 73 1HD2 LEU 73 -1.555 5.098 -0.775 552 2HD2 LEU 73 2HD2 LEU 73 -1.827 3.410 -0.281 553 3HD2 LEU 73 3HD2 LEU 73 -3.057 4.265 -1.243 554 H ALA 74 H ALA 74 -2.336 7.947 3.535 555 HA ALA 74 HA ALA 74 -1.270 5.915 4.868 556 1HB ALA 74 1HB ALA 74 -0.471 7.997 5.494 557 2HB ALA 74 2HB ALA 74 -2.101 8.687 5.681 558 3HB ALA 74 3HB ALA 74 -1.449 7.592 6.924 559 HA PRO 75 HA PRO 75 -5.064 3.941 6.329 560 1HB PRO 75 1HB PRO 75 -3.201 1.637 6.628 561 2HB PRO 75 2HB PRO 75 -4.681 1.812 5.630 562 1HG PRO 75 1HG PRO 75 -2.153 1.756 4.369 563 2HG PRO 75 2HG PRO 75 -3.674 2.604 3.941 564 1HD PRO 75 1HD PRO 75 -1.243 3.635 5.516 565 2HD PRO 75 2HD PRO 75 -2.014 4.361 4.073 566 H ARG 76 H ARG 76 -3.949 5.738 8.106 567 HA ARG 76 HA ARG 76 -4.168 4.315 10.491 568 1HB ARG 76 1HB ARG 76 -1.730 3.810 9.760 569 2HB ARG 76 2HB ARG 76 -1.392 5.506 10.044 570 1HG ARG 76 1HG ARG 76 -2.763 4.702 12.370 571 2HG ARG 76 2HG ARG 76 -1.751 3.323 11.990 572 1HD ARG 76 1HD ARG 76 0.265 4.712 11.978 573 2HD ARG 76 2HD ARG 76 -0.681 6.182 12.095 574 HE ARG 76 HE ARG 76 -0.100 4.288 14.279 575 1HH1 ARG 76 1HH1 ARG 76 -0.666 4.941 16.394 576 2HH1 ARG 76 2HH1 ARG 76 -1.692 6.317 16.629 577 1HH2 ARG 76 1HH2 ARG 76 -2.061 7.001 13.194 578 2HH2 ARG 76 2HH2 ARG 76 -2.490 7.496 14.797 579 H VAL 77 H VAL 77 -2.645 7.223 8.933 580 HA VAL 77 HA VAL 77 -2.845 9.023 10.948 581 HB VAL 77 HB VAL 77 -3.219 9.274 7.970 582 1HG1 VAL 77 1HG1 VAL 77 -3.964 11.219 9.934 583 2HG1 VAL 77 2HG1 VAL 77 -2.507 11.796 9.091 584 3HG1 VAL 77 3HG1 VAL 77 -3.962 11.366 8.160 585 1HG2 VAL 77 1HG2 VAL 77 -0.997 8.593 8.832 586 2HG2 VAL 77 2HG2 VAL 77 -0.961 10.178 8.023 587 3HG2 VAL 77 3HG2 VAL 77 -0.935 10.086 9.800 588 H ASN 78 H ASN 78 -5.448 7.847 8.757 589 HA ASN 78 HA ASN 78 -7.303 9.398 10.381 590 1HB ASN 78 1HB ASN 78 -7.968 8.077 7.715 591 2HB ASN 78 2HB ASN 78 -8.813 9.398 8.499 592 1HD2 ASN 78 2HD2 ASN 78 -8.306 9.899 6.036 593 2HD2 ASN 78 1HD2 ASN 78 -6.959 10.957 5.777 594 H THR 79 H THR 79 -9.427 8.244 10.879 595 HA THR 79 HA THR 79 -8.912 5.406 11.363 596 HB THR 79 HB THR 79 -9.527 6.918 13.268 597 HG1 THR 79 HG1 THR 79 -10.251 4.717 13.351 598 1HG2 THR 79 1HG2 THR 79 -11.255 8.183 11.544 599 2HG2 THR 79 2HG2 THR 79 -12.366 7.030 12.321 600 3HG2 THR 79 3HG2 THR 79 -11.460 8.198 13.312 601 H LYS 80 H LYS 80 -10.048 7.131 8.837 602 HA LYS 80 HA LYS 80 -12.300 5.311 8.379 603 1HB LYS 80 1HB LYS 80 -11.609 8.027 7.240 604 2HB LYS 80 2HB LYS 80 -12.822 6.986 6.523 605 1HG LYS 80 1HG LYS 80 -14.342 7.447 8.160 606 2HG LYS 80 2HG LYS 80 -13.170 7.192 9.437 607 1HD LYS 80 1HD LYS 80 -12.247 9.565 8.400 608 2HD LYS 80 2HD LYS 80 -13.958 9.726 8.061 609 1HE LYS 80 1HE LYS 80 -14.025 8.778 10.660 610 2HE LYS 80 2HE LYS 80 -12.541 9.710 10.683 611 1HZ LYS 80 1HZ LYS 80 -14.958 10.857 9.519 612 2HZ LYS 80 2HZ LYS 80 -14.738 10.880 11.137 613 3HZ LYS 80 3HZ LYS 80 -13.665 11.624 10.157 614 H ARG 81 H ARG 81 -9.417 4.565 8.249 615 HA ARG 81 HA ARG 81 -9.419 3.880 5.422 616 1HB ARG 81 1HB ARG 81 -6.994 4.531 7.173 617 2HB ARG 81 2HB ARG 81 -6.889 3.924 5.532 618 1HG ARG 81 1HG ARG 81 -8.635 6.326 5.902 619 2HG ARG 81 2HG ARG 81 -6.925 6.592 6.175 620 1HD ARG 81 1HD ARG 81 -6.348 5.835 3.947 621 2HD ARG 81 2HD ARG 81 -7.947 5.169 3.680 622 HE ARG 81 HE ARG 81 -7.180 8.014 3.528 623 1HH1 ARG 81 1HH1 ARG 81 -8.731 9.458 2.674 624 2HH1 ARG 81 2HH1 ARG 81 -10.371 8.943 2.463 625 1HH2 ARG 81 1HH2 ARG 81 -9.817 5.690 3.696 626 2HH2 ARG 81 2HH2 ARG 81 -10.993 6.785 3.049 627 H PHE 82 H PHE 82 -8.588 1.724 4.921 628 HA PHE 82 HA PHE 82 -8.369 -0.441 5.273 629 1HB PHE 82 1HB PHE 82 -6.931 0.898 7.584 630 2HB PHE 82 2HB PHE 82 -7.154 -0.836 7.705 631 HD1 PHE 82 HD1 PHE 82 -4.589 -0.732 7.763 632 HD2 PHE 82 HD2 PHE 82 -6.873 0.234 4.320 633 HE1 PHE 82 HE1 PHE 82 -2.567 -1.092 6.320 634 HE2 PHE 82 HE2 PHE 82 -4.851 -0.126 2.877 635 HZ PHE 82 HZ PHE 82 -2.722 -0.785 3.895 636 H THR 83 H THR 83 -10.922 0.492 5.870 637 HA THR 83 HA THR 83 -11.719 -0.404 8.477 638 HB THR 83 HB THR 83 -13.354 0.323 5.989 639 HG1 THR 83 HG1 THR 83 -12.476 2.287 6.508 640 1HG2 THR 83 1HG2 THR 83 -14.000 -0.282 8.835 641 2HG2 THR 83 2HG2 THR 83 -14.646 1.272 8.255 642 3HG2 THR 83 3HG2 THR 83 -15.077 -0.239 7.419 643 H ASP 84 H ASP 84 -12.599 -1.551 5.144 644 HA ASP 84 HA ASP 84 -13.415 -4.026 6.294 645 1HB ASP 84 1HB ASP 84 -13.053 -3.496 3.326 646 2HB ASP 84 2HB ASP 84 -14.201 -4.571 4.099 647 H ILE 85 H ILE 85 -11.574 -5.191 7.040 648 HA ILE 85 HA ILE 85 -9.164 -5.239 5.508 649 HB ILE 85 HB ILE 85 -9.521 -5.383 8.063 650 1HG1 ILE 85 1HG1 ILE 85 -7.538 -7.140 6.590 651 2HG1 ILE 85 2HG1 ILE 85 -7.343 -5.442 6.977 652 1HG2 ILE 85 1HG2 ILE 85 -11.076 -7.313 7.965 653 2HG2 ILE 85 2HG2 ILE 85 -9.734 -8.327 7.382 654 3HG2 ILE 85 3HG2 ILE 85 -9.659 -7.598 9.004 655 1HD1 ILE 85 1HD1 ILE 85 -7.503 -5.997 9.422 656 2HD1 ILE 85 2HD1 ILE 85 -7.615 -7.721 8.992 657 3HD1 ILE 85 3HD1 ILE 85 -6.134 -6.806 8.623 658 H ASP 86 H ASP 86 -12.155 -6.599 4.982 659 HA ASP 86 HA ASP 86 -11.112 -9.147 4.128 660 1HB ASP 86 1HB ASP 86 -13.487 -8.493 5.248 661 2HB ASP 86 2HB ASP 86 -13.938 -8.262 3.571 662 H LYS 87 H LYS 87 -12.010 -5.946 2.958 663 HA LYS 87 HA LYS 87 -12.052 -6.897 0.192 664 1HB LYS 87 1HB LYS 87 -13.105 -4.439 1.576 665 2HB LYS 87 2HB LYS 87 -12.797 -4.417 -0.148 666 1HG LYS 87 1HG LYS 87 -14.230 -6.508 -0.369 667 2HG LYS 87 2HG LYS 87 -14.622 -6.367 1.333 668 1HD LYS 87 1HD LYS 87 -15.147 -3.793 0.390 669 2HD LYS 87 2HD LYS 87 -15.630 -4.793 -0.967 670 1HE LYS 87 1HE LYS 87 -16.738 -6.211 1.124 671 2HE LYS 87 2HE LYS 87 -16.838 -4.580 1.755 672 1HZ LYS 87 1HZ LYS 87 -17.774 -5.308 -0.929 673 2HZ LYS 87 2HZ LYS 87 -18.744 -5.292 0.385 674 3HZ LYS 87 3HZ LYS 87 -18.048 -3.908 -0.134 675 H VAL 88 H VAL 88 -10.588 -4.323 2.295 676 HA VAL 88 HA VAL 88 -8.852 -3.222 0.554 677 HB VAL 88 HB VAL 88 -9.298 -3.159 3.251 678 1HG1 VAL 88 1HG1 VAL 88 -7.686 -5.063 3.535 679 2HG1 VAL 88 2HG1 VAL 88 -6.401 -3.998 2.914 680 3HG1 VAL 88 3HG1 VAL 88 -7.245 -3.586 4.427 681 1HG2 VAL 88 1HG2 VAL 88 -7.605 -1.745 1.304 682 2HG2 VAL 88 2HG2 VAL 88 -8.704 -1.106 2.549 683 3HG2 VAL 88 3HG2 VAL 88 -7.049 -1.593 2.988 684 H GLU 89 H GLU 89 -8.794 -6.501 1.877 685 HA GLU 89 HA GLU 89 -6.087 -6.932 1.114 686 1HB GLU 89 1HB GLU 89 -7.112 -8.130 3.027 687 2HB GLU 89 2HB GLU 89 -8.276 -8.884 1.955 688 1HG GLU 89 1HG GLU 89 -5.626 -9.336 0.879 689 2HG GLU 89 2HG GLU 89 -5.610 -9.764 2.579 690 H ASP 90 H ASP 90 -9.365 -7.774 -0.149 691 HA ASP 90 HA ASP 90 -8.423 -9.333 -2.248 692 1HB ASP 90 1HB ASP 90 -10.988 -7.708 -1.927 693 2HB ASP 90 2HB ASP 90 -10.725 -8.837 -3.241 694 H GLU 91 H GLU 91 -9.372 -5.847 -1.916 695 HA GLU 91 HA GLU 91 -9.117 -5.174 -4.575 696 1HB GLU 91 1HB GLU 91 -8.893 -3.599 -1.993 697 2HB GLU 91 2HB GLU 91 -8.653 -2.810 -3.539 698 1HG GLU 91 1HG GLU 91 -11.082 -4.554 -3.315 699 2HG GLU 91 2HG GLU 91 -11.100 -3.085 -2.361 700 H PHE 92 H PHE 92 -6.709 -5.114 -1.874 701 HA PHE 92 HA PHE 92 -4.628 -3.886 -3.096 702 1HB PHE 92 1HB PHE 92 -5.185 -5.681 -0.891 703 2HB PHE 92 2HB PHE 92 -3.769 -6.321 -1.702 704 HD1 PHE 92 HD1 PHE 92 -2.287 -3.982 -2.528 705 HD2 PHE 92 HD2 PHE 92 -4.497 -4.620 1.038 706 HE1 PHE 92 HE1 PHE 92 -0.847 -2.308 -1.336 707 HE2 PHE 92 HE2 PHE 92 -3.057 -2.945 2.230 708 HZ PHE 92 HZ PHE 92 -1.249 -1.809 1.028 709 H THR 93 H THR 93 -5.995 -7.073 -3.810 710 HA THR 93 HA THR 93 -3.669 -7.830 -5.385 711 HB THR 93 HB THR 93 -6.230 -9.128 -4.404 712 HG1 THR 93 HG1 THR 93 -3.420 -9.933 -4.611 713 1HG2 THR 93 1HG2 THR 93 -4.540 -9.920 -6.793 714 2HG2 THR 93 2HG2 THR 93 -5.138 -11.193 -5.702 715 3HG2 THR 93 3HG2 THR 93 -6.290 -10.128 -6.543 716 H LYS 94 H LYS 94 -7.167 -7.051 -5.880 717 HA LYS 94 HA LYS 94 -7.071 -7.341 -8.657 718 1HB LYS 94 1HB LYS 94 -8.929 -5.466 -7.195 719 2HB LYS 94 2HB LYS 94 -9.227 -6.383 -8.658 720 1HG LYS 94 1HG LYS 94 -8.561 -8.389 -6.844 721 2HG LYS 94 2HG LYS 94 -9.408 -7.243 -5.824 722 1HD LYS 94 1HD LYS 94 -11.268 -8.355 -6.597 723 2HD LYS 94 2HD LYS 94 -11.113 -7.242 -7.942 724 1HE LYS 94 1HE LYS 94 -9.584 -9.854 -8.021 725 2HE LYS 94 2HE LYS 94 -11.301 -9.866 -8.374 726 1HZ LYS 94 1HZ LYS 94 -10.120 -7.752 -9.745 727 2HZ LYS 94 2HZ LYS 94 -9.244 -9.098 -10.042 728 3HZ LYS 94 3HZ LYS 94 -10.846 -9.080 -10.361 729 H HIS 95 H HIS 95 -5.856 -4.973 -6.510 730 HA HIS 95 HA HIS 95 -5.799 -2.736 -8.372 731 1HB HIS 95 1HB HIS 95 -5.829 -2.776 -5.767 732 2HB HIS 95 2HB HIS 95 -4.043 -3.076 -5.900 733 HD1 HIS 95 HD1 HIS 95 -5.311 -0.830 -8.464 734 HD2 HIS 95 HD2 HIS 95 -3.888 -0.480 -4.550 735 HE1 HIS 95 HE1 HIS 95 -4.735 1.660 -8.129 736 H CYS 96 H CYS 96 -3.239 -4.885 -6.996 737 HA CYS 96 HA CYS 96 -1.142 -4.003 -8.665 738 1HB CYS 96 1HB CYS 96 -1.721 -6.513 -7.091 739 2HB CYS 96 2HB CYS 96 -0.289 -6.433 -8.148 740 H ASN 97 H ASN 97 -3.891 -6.189 -9.299 741 HA ASN 97 HA ASN 97 -2.634 -7.340 -11.561 742 1HB ASN 97 1HB ASN 97 -5.188 -7.584 -10.106 743 2HB ASN 97 2HB ASN 97 -5.443 -7.630 -11.839 744 1HD2 ASN 97 2HD2 ASN 97 -5.306 -9.592 -9.429 745 2HD2 ASN 97 1HD2 ASN 97 -4.424 -10.951 -10.042 746 H ASP 98 H ASP 98 -4.128 -4.326 -10.807 747 HA ASP 98 HA ASP 98 -4.681 -3.879 -13.636 748 1HB ASP 98 1HB ASP 98 -6.220 -3.282 -11.200 749 2HB ASP 98 2HB ASP 98 -5.947 -1.834 -12.149 750 H ILE 99 H ILE 99 -2.392 -3.458 -11.332 751 HA ILE 99 HA ILE 99 -1.780 -0.714 -12.188 752 HB ILE 99 HB ILE 99 -1.287 -2.038 -9.521 753 1HG1 ILE 99 1HG1 ILE 99 -3.600 -1.058 -10.157 754 2HG1 ILE 99 2HG1 ILE 99 -2.885 -0.633 -8.615 755 1HG2 ILE 99 1HG2 ILE 99 0.099 0.170 -10.847 756 2HG2 ILE 99 2HG2 ILE 99 -0.575 0.612 -9.260 757 3HG2 ILE 99 3HG2 ILE 99 0.542 -0.767 -9.400 758 1HD1 ILE 99 1HD1 ILE 99 -2.248 1.120 -10.982 759 2HD1 ILE 99 2HD1 ILE 99 -3.866 1.243 -10.250 760 3HD1 ILE 99 3HD1 ILE 99 -2.418 1.555 -9.264 761 H LEU 100 H LEU 100 -0.491 -3.936 -11.174 762 HA LEU 100 HA LEU 100 1.974 -3.261 -12.609 763 1HB LEU 100 1HB LEU 100 1.337 -5.214 -10.409 764 2HB LEU 100 2HB LEU 100 2.794 -5.353 -11.373 765 HG LEU 100 HG LEU 100 2.011 -3.017 -9.609 766 1HD1 LEU 100 1HD1 LEU 100 3.373 -5.467 -9.070 767 2HD1 LEU 100 2HD1 LEU 100 4.543 -4.131 -8.947 768 3HD1 LEU 100 3HD1 LEU 100 3.050 -4.099 -7.978 769 1HD2 LEU 100 1HD2 LEU 100 4.020 -3.249 -11.771 770 2HD2 LEU 100 2HD2 LEU 100 3.200 -1.818 -11.101 771 3HD2 LEU 100 3HD2 LEU 100 4.591 -2.528 -10.247 772 H GLY 101 H GLY 101 -0.937 -5.224 -12.620 773 1HA GLY 101 1HA GLY 101 -0.064 -6.398 -15.164 774 2HA GLY 101 2HA GLY 101 -1.710 -6.220 -14.590 775 H ALA 102 H ALA 102 -0.519 -7.170 -11.791 776 HA ALA 102 HA ALA 102 -1.288 -9.882 -12.159 777 1HB ALA 102 1HB ALA 102 1.584 -9.138 -12.218 778 2HB ALA 102 2HB ALA 102 1.164 -10.444 -11.083 779 3HB ALA 102 3HB ALA 102 0.768 -10.605 -12.810 780 H ASP 103 H ASP 103 -0.477 -11.057 -9.867 781 HA ASP 103 HA ASP 103 -1.630 -9.276 -7.916 782 1HB ASP 103 1HB ASP 103 -2.145 -11.870 -8.423 783 2HB ASP 103 2HB ASP 103 -0.816 -12.120 -7.309 784 H CYS 104 H CYS 104 -0.318 -8.217 -6.525 785 HA CYS 104 HA CYS 104 2.495 -8.441 -6.490 786 1HB CYS 104 1HB CYS 104 0.442 -7.204 -4.640 787 2HB CYS 104 2HB CYS 104 2.181 -7.153 -4.256 788 H SER 105 H SER 105 3.901 -9.106 -4.578 789 HA SER 105 HA SER 105 3.031 -11.693 -3.758 790 1HB SER 105 1HB SER 105 5.283 -11.993 -2.958 791 2HB SER 105 2HB SER 105 5.394 -11.127 -4.477 792 HG SER 105 HG SER 105 6.762 -10.103 -2.968 793 HA PRO 106 HA PRO 106 1.353 -10.733 0.183 794 1HB PRO 106 1HB PRO 106 2.290 -12.951 1.601 795 2HB PRO 106 2HB PRO 106 0.914 -12.978 0.450 796 1HG PRO 106 1HG PRO 106 3.881 -13.831 -0.168 797 2HG PRO 106 2HG PRO 106 2.284 -14.597 -0.452 798 1HD PRO 106 1HD PRO 106 3.552 -13.047 -2.344 799 2HD PRO 106 2HD PRO 106 1.771 -13.052 -2.170 800 H SER 107 H SER 107 4.795 -11.012 -0.456 801 HA SER 107 HA SER 107 5.479 -10.294 2.233 802 1HB SER 107 1HB SER 107 7.778 -10.456 1.494 803 2HB SER 107 2HB SER 107 6.903 -11.814 0.813 804 HG SER 107 HG SER 107 7.111 -11.014 -1.202 805 H GLU 108 H GLU 108 5.423 -8.833 -1.074 806 HA GLU 108 HA GLU 108 6.521 -6.398 -0.268 807 1HB GLU 108 1HB GLU 108 4.657 -6.873 -2.631 808 2HB GLU 108 2HB GLU 108 5.843 -5.593 -2.467 809 1HG GLU 108 1HG GLU 108 7.000 -8.299 -2.114 810 2HG GLU 108 2HG GLU 108 6.280 -8.060 -3.694 811 H LYS 109 H LYS 109 3.571 -7.837 0.541 812 HA LYS 109 HA LYS 109 2.036 -5.387 0.537 813 1HB LYS 109 1HB LYS 109 1.060 -7.622 -0.047 814 2HB LYS 109 2HB LYS 109 1.308 -8.126 1.613 815 1HG LYS 109 1HG LYS 109 -0.800 -7.290 1.940 816 2HG LYS 109 2HG LYS 109 0.018 -5.743 2.037 817 1HD LYS 109 1HD LYS 109 -1.803 -5.498 0.455 818 2HD LYS 109 2HD LYS 109 -0.309 -5.465 -0.461 819 1HE LYS 109 1HE LYS 109 -0.729 -8.110 -0.622 820 2HE LYS 109 2HE LYS 109 -2.390 -7.650 -0.305 821 1HZ LYS 109 1HZ LYS 109 -1.877 -5.926 -2.157 822 2HZ LYS 109 2HZ LYS 109 -0.731 -7.005 -2.591 823 3HZ LYS 109 3HZ LYS 109 -2.299 -7.456 -2.542 824 H ALA 110 H ALA 110 2.989 -7.831 3.060 825 HA ALA 110 HA ALA 110 2.399 -6.169 5.209 826 1HB ALA 110 1HB ALA 110 3.479 -8.778 4.711 827 2HB ALA 110 2HB ALA 110 2.811 -8.127 6.227 828 3HB ALA 110 3HB ALA 110 4.546 -7.950 5.871 829 H ASN 111 H ASN 111 4.929 -6.011 2.853 830 HA ASN 111 HA ASN 111 6.843 -4.826 4.570 831 1HB ASN 111 1HB ASN 111 7.159 -6.055 2.246 832 2HB ASN 111 2HB ASN 111 6.769 -4.498 1.542 833 1HD2 ASN 111 2HD2 ASN 111 7.943 -2.610 2.723 834 2HD2 ASN 111 1HD2 ASN 111 9.653 -2.801 2.930 835 H PHE 112 H PHE 112 4.253 -3.790 2.306 836 HA PHE 112 HA PHE 112 5.009 -1.031 2.406 837 1HB PHE 112 1HB PHE 112 3.861 -2.210 0.469 838 2HB PHE 112 2HB PHE 112 2.482 -2.539 1.500 839 HD1 PHE 112 HD1 PHE 112 0.682 -1.093 1.427 840 HD2 PHE 112 HD2 PHE 112 4.500 0.351 0.268 841 HE1 PHE 112 HE1 PHE 112 -0.352 1.089 0.742 842 HE2 PHE 112 HE2 PHE 112 3.467 2.533 -0.417 843 HZ PHE 112 HZ PHE 112 1.053 2.876 -0.172 844 H ILE 113 H ILE 113 2.400 -3.113 3.811 845 HA ILE 113 HA ILE 113 0.920 -1.150 5.018 846 HB ILE 113 HB ILE 113 1.453 -4.033 5.561 847 1HG1 ILE 113 1HG1 ILE 113 -1.308 -3.152 5.369 848 2HG1 ILE 113 2HG1 ILE 113 -0.369 -2.560 4.012 849 1HG2 ILE 113 1HG2 ILE 113 1.320 -2.972 7.797 850 2HG2 ILE 113 2HG2 ILE 113 -0.274 -2.313 7.360 851 3HG2 ILE 113 3HG2 ILE 113 -0.036 -4.074 7.459 852 1HD1 ILE 113 1HD1 ILE 113 0.568 -4.971 3.807 853 2HD1 ILE 113 2HD1 ILE 113 -0.748 -5.440 4.911 854 3HD1 ILE 113 3HD1 ILE 113 -1.127 -4.716 3.329 855 H ALA 114 H ALA 114 3.949 -2.746 6.136 856 HA ALA 114 HA ALA 114 3.977 -1.582 8.678 857 1HB ALA 114 1HB ALA 114 5.446 -3.355 8.466 858 2HB ALA 114 2HB ALA 114 6.575 -1.998 8.236 859 3HB ALA 114 3HB ALA 114 5.949 -2.884 6.825 860 H TYR 115 H TYR 115 6.053 -0.751 5.875 861 HA TYR 115 HA TYR 115 7.128 1.610 6.696 862 1HB TYR 115 1HB TYR 115 6.923 0.258 4.317 863 2HB TYR 115 2HB TYR 115 6.029 1.744 3.957 864 HD1 TYR 115 HD1 TYR 115 9.314 0.335 4.893 865 HD2 TYR 115 HD2 TYR 115 7.143 3.886 3.832 866 HE1 TYR 115 HE1 TYR 115 11.454 1.536 4.537 867 HE2 TYR 115 HE2 TYR 115 9.284 5.088 3.475 868 HH TYR 115 HH TYR 115 12.452 3.530 4.035 869 H LEU 116 H LEU 116 3.742 1.142 5.485 870 HA LEU 116 HA LEU 116 3.174 3.911 5.501 871 1HB LEU 116 1HB LEU 116 1.666 1.370 5.194 872 2HB LEU 116 2HB LEU 116 0.751 2.786 5.670 873 HG LEU 116 HG LEU 116 2.426 2.464 3.168 874 1HD1 LEU 116 1HD1 LEU 116 -0.560 2.695 3.616 875 2HD1 LEU 116 2HD1 LEU 116 0.235 2.777 2.025 876 3HD1 LEU 116 3HD1 LEU 116 0.339 1.289 2.997 877 1HD2 LEU 116 1HD2 LEU 116 1.545 4.878 4.557 878 2HD2 LEU 116 2HD2 LEU 116 2.708 4.675 3.224 879 3HD2 LEU 116 3HD2 LEU 116 0.966 4.793 2.875 880 H LEU 117 H LEU 117 2.081 1.245 7.725 881 HA LEU 117 HA LEU 117 0.862 2.683 9.617 882 1HB LEU 117 1HB LEU 117 2.756 0.361 9.985 883 2HB LEU 117 2HB LEU 117 1.700 0.972 11.243 884 HG LEU 117 HG LEU 117 0.551 0.111 8.598 885 1HD1 LEU 117 1HD1 LEU 117 2.005 -1.728 9.359 886 2HD1 LEU 117 2HD1 LEU 117 1.140 -1.752 10.915 887 3HD1 LEU 117 3HD1 LEU 117 0.278 -2.158 9.411 888 1HD2 LEU 117 1HD2 LEU 117 -0.689 1.359 10.539 889 2HD2 LEU 117 2HD2 LEU 117 -1.472 0.005 9.689 890 3HD2 LEU 117 3HD2 LEU 117 -0.728 -0.257 11.285 891 H THR 118 H THR 118 4.432 2.311 9.232 892 HA THR 118 HA THR 118 4.948 4.001 11.501 893 HB THR 118 HB THR 118 6.424 2.092 10.825 894 HG1 THR 118 HG1 THR 118 7.402 3.903 11.901 895 1HG2 THR 118 1HG2 THR 118 6.997 3.881 8.403 896 2HG2 THR 118 2HG2 THR 118 7.935 2.437 8.856 897 3HG2 THR 118 3HG2 THR 118 6.239 2.272 8.341 898 H GLU 119 H GLU 119 4.780 4.354 7.942 899 HA GLU 119 HA GLU 119 5.701 7.061 8.173 900 1HB GLU 119 1HB GLU 119 4.768 5.389 5.802 901 2HB GLU 119 2HB GLU 119 5.284 7.057 5.655 902 1HG GLU 119 1HG GLU 119 7.214 5.452 7.196 903 2HG GLU 119 2HG GLU 119 6.946 4.784 5.599 904 H THR 120 H THR 120 4.112 8.173 9.387 905 HA THR 120 HA THR 120 1.646 8.671 7.907 906 HB THR 120 HB THR 120 0.461 8.448 10.232 907 HG1 THR 120 HG1 THR 120 1.736 6.941 11.595 908 1HG2 THR 120 1HG2 THR 120 1.559 6.102 8.630 909 2HG2 THR 120 2HG2 THR 120 0.582 5.824 10.091 910 3HG2 THR 120 3HG2 THR 120 -0.116 6.699 8.707 911 H LYS 121 H LYS 121 3.803 10.335 7.829 912 HA LYS 121 HA LYS 121 2.850 12.512 9.541 913 1HB LYS 121 1HB LYS 121 5.761 11.818 9.046 914 2HB LYS 121 2HB LYS 121 5.181 13.243 9.885 915 1HG LYS 121 1HG LYS 121 4.275 11.949 11.696 916 2HG LYS 121 2HG LYS 121 4.360 10.455 10.784 917 1HD LYS 121 1HD LYS 121 6.469 10.065 11.521 918 2HD LYS 121 2HD LYS 121 7.015 11.608 10.895 919 1HE LYS 121 1HE LYS 121 5.619 11.227 13.588 920 2HE LYS 121 2HE LYS 121 7.352 11.382 13.380 921 1HZ LYS 121 1HZ LYS 121 6.374 13.499 12.044 922 2HZ LYS 121 2HZ LYS 121 5.354 13.397 13.315 923 3HZ LYS 121 3HZ LYS 121 6.961 13.537 13.568 924 HA PRO 122 HA PRO 122 2.251 13.903 5.313 925 1HB PRO 122 1HB PRO 122 1.138 16.213 6.897 926 2HB PRO 122 2HB PRO 122 0.413 15.246 5.571 927 1HG PRO 122 1HG PRO 122 -0.407 14.866 8.160 928 2HG PRO 122 2HG PRO 122 -0.244 13.654 6.847 929 1HD PRO 122 1HD PRO 122 1.632 14.298 9.177 930 2HD PRO 122 2HD PRO 122 1.116 12.700 8.560 931 H THR 123 H THR 123 3.036 15.899 4.126 932 HA THR 123 HA THR 123 5.519 16.791 5.340 933 HB THR 123 HB THR 123 4.261 17.133 2.567 934 HG1 THR 123 HG1 THR 123 6.415 15.537 3.768 935 1HG2 THR 123 1HG2 THR 123 7.083 17.718 3.609 936 2HG2 THR 123 2HG2 THR 123 6.625 17.680 1.889 937 3HG2 THR 123 3HG2 THR 123 5.939 18.920 2.965 938 H LYS 124 H LYS 124 2.659 18.375 3.759 939 HA LYS 124 HA LYS 124 1.716 20.338 4.113 940 1HB LYS 124 1HB LYS 124 1.955 19.285 6.586 941 2HB LYS 124 2HB LYS 124 2.901 20.742 6.812 942 1HG LYS 124 1HG LYS 124 0.572 21.516 5.336 943 2HG LYS 124 2HG LYS 124 0.014 20.461 6.620 944 1HD LYS 124 1HD LYS 124 2.057 22.477 7.447 945 2HD LYS 124 2HD LYS 124 0.522 23.150 6.933 946 1HE LYS 124 1HE LYS 124 0.414 22.740 9.338 947 2HE LYS 124 2HE LYS 124 -0.665 21.613 8.539 948 1HZ LYS 124 1HZ LYS 124 1.926 20.538 8.730 949 2HZ LYS 124 2HZ LYS 124 1.396 20.990 10.208 950 3HZ LYS 124 3HZ LYS 124 0.521 19.943 9.312 No H/Q in entry = 950 Start of MODEL 12 1 H1 ASP 1 H1 ASP 1 -7.537 0.806 15.363 2 H2 ASP 1 H2 ASP 1 -8.072 2.352 15.105 3 H3 ASP 1 H3 ASP 1 -9.108 1.075 14.915 4 HA ASP 1 HA ASP 1 -8.499 0.612 12.956 5 1HB ASP 1 1HB ASP 1 -8.006 3.415 13.478 6 2HB ASP 1 2HB ASP 1 -6.822 2.866 12.308 7 H VAL 2 H VAL 2 -5.922 1.389 15.219 8 HA VAL 2 HA VAL 2 -3.804 0.575 13.435 9 HB VAL 2 HB VAL 2 -3.807 1.254 16.383 10 1HG1 VAL 2 1HG1 VAL 2 -1.765 0.182 14.642 11 2HG1 VAL 2 2HG1 VAL 2 -1.301 1.803 15.209 12 3HG1 VAL 2 3HG1 VAL 2 -1.698 0.528 16.386 13 1HG2 VAL 2 1HG2 VAL 2 -3.369 2.950 13.913 14 2HG2 VAL 2 2HG2 VAL 2 -4.537 3.197 15.233 15 3HG2 VAL 2 3HG2 VAL 2 -2.798 3.432 15.528 16 H THR 3 H THR 3 -6.214 -1.175 14.506 17 HA THR 3 HA THR 3 -4.655 -3.281 15.800 18 HB THR 3 HB THR 3 -7.650 -2.912 15.266 19 HG1 THR 3 HG1 THR 3 -7.456 -2.515 17.653 20 1HG2 THR 3 1HG2 THR 3 -6.730 -5.342 15.638 21 2HG2 THR 3 2HG2 THR 3 -6.330 -4.780 17.279 22 3HG2 THR 3 3HG2 THR 3 -8.021 -4.775 16.725 23 H ASN 4 H ASN 4 -7.226 -3.310 13.246 24 HA ASN 4 HA ASN 4 -6.729 -5.648 12.168 25 1HB ASN 4 1HB ASN 4 -6.895 -3.626 10.016 26 2HB ASN 4 2HB ASN 4 -8.049 -4.872 10.450 27 1HD2 ASN 4 2HD2 ASN 4 -6.689 -1.844 11.742 28 2HD2 ASN 4 1HD2 ASN 4 -8.171 -1.172 12.335 29 H ALA 5 H ALA 5 -5.040 -2.561 11.203 30 HA ALA 5 HA ALA 5 -3.351 -3.436 9.308 31 1HB ALA 5 1HB ALA 5 -2.711 -1.559 11.620 32 2HB ALA 5 2HB ALA 5 -1.825 -1.644 10.079 33 3HB ALA 5 3HB ALA 5 -3.523 -1.112 10.101 34 H GLU 6 H GLU 6 -2.825 -3.687 12.889 35 HA GLU 6 HA GLU 6 -0.356 -4.852 12.763 36 1HB GLU 6 1HB GLU 6 -1.355 -4.014 14.846 37 2HB GLU 6 2HB GLU 6 -2.595 -5.251 14.795 38 1HG GLU 6 1HG GLU 6 -0.515 -5.661 16.319 39 2HG GLU 6 2HG GLU 6 -1.086 -6.989 15.329 40 H LYS 7 H LYS 7 -3.633 -6.393 12.748 41 HA LYS 7 HA LYS 7 -2.744 -9.027 12.771 42 1HB LYS 7 1HB LYS 7 -5.022 -8.513 13.276 43 2HB LYS 7 2HB LYS 7 -5.268 -7.724 11.731 44 1HG LYS 7 1HG LYS 7 -4.464 -10.656 11.911 45 2HG LYS 7 2HG LYS 7 -6.143 -10.159 11.989 46 1HD LYS 7 1HD LYS 7 -5.166 -8.741 9.773 47 2HD LYS 7 2HD LYS 7 -4.330 -10.277 9.660 48 1HE LYS 7 1HE LYS 7 -7.295 -10.308 10.241 49 2HE LYS 7 2HE LYS 7 -6.775 -9.942 8.608 50 1HZ LYS 7 1HZ LYS 7 -5.297 -12.029 9.029 51 2HZ LYS 7 2HZ LYS 7 -6.467 -12.398 10.107 52 3HZ LYS 7 3HZ LYS 7 -6.845 -12.182 8.533 53 H LEU 8 H LEU 8 -3.467 -6.786 10.020 54 HA LEU 8 HA LEU 8 -3.050 -8.556 7.967 55 1HB LEU 8 1HB LEU 8 -2.579 -5.594 8.221 56 2HB LEU 8 2HB LEU 8 -2.318 -6.449 6.714 57 HG LEU 8 HG LEU 8 -4.889 -5.917 8.173 58 1HD1 LEU 8 1HD1 LEU 8 -3.596 -4.923 5.837 59 2HD1 LEU 8 2HD1 LEU 8 -5.082 -5.764 5.334 60 3HD1 LEU 8 3HD1 LEU 8 -5.164 -4.452 6.534 61 1HD2 LEU 8 1HD2 LEU 8 -4.278 -8.278 6.436 62 2HD2 LEU 8 2HD2 LEU 8 -5.307 -8.156 7.883 63 3HD2 LEU 8 3HD2 LEU 8 -5.877 -7.505 6.327 64 H VAL 9 H VAL 9 -0.620 -6.472 9.672 65 HA VAL 9 HA VAL 9 1.573 -7.297 8.194 66 HB VAL 9 HB VAL 9 1.319 -6.383 11.064 67 1HG1 VAL 9 1HG1 VAL 9 3.466 -7.635 10.490 68 2HG1 VAL 9 2HG1 VAL 9 3.833 -6.294 9.379 69 3HG1 VAL 9 3HG1 VAL 9 3.654 -5.982 11.123 70 1HG2 VAL 9 1HG2 VAL 9 0.469 -4.779 9.408 71 2HG2 VAL 9 2HG2 VAL 9 1.962 -4.187 10.176 72 3HG2 VAL 9 3HG2 VAL 9 2.015 -4.860 8.529 73 H TYR 10 H TYR 10 0.250 -8.538 11.279 74 HA TYR 10 HA TYR 10 2.122 -10.686 11.523 75 1HB TYR 10 1HB TYR 10 0.581 -9.584 13.283 76 2HB TYR 10 2HB TYR 10 -0.681 -10.654 12.650 77 HD1 TYR 10 HD1 TYR 10 -0.597 -13.058 13.012 78 HD2 TYR 10 HD2 TYR 10 2.498 -10.481 14.506 79 HE1 TYR 10 HE1 TYR 10 0.231 -14.892 14.461 80 HE2 TYR 10 HE2 TYR 10 3.326 -12.316 15.955 81 HH TYR 10 HH TYR 10 3.221 -14.915 15.975 82 H LYS 11 H LYS 11 -0.383 -10.173 9.241 83 HA LYS 11 HA LYS 11 -0.885 -13.045 9.019 84 1HB LYS 11 1HB LYS 11 -2.816 -11.465 9.134 85 2HB LYS 11 2HB LYS 11 -2.274 -10.730 7.639 86 1HG LYS 11 1HG LYS 11 -3.936 -12.355 7.017 87 2HG LYS 11 2HG LYS 11 -2.391 -13.041 6.554 88 1HD LYS 11 1HD LYS 11 -2.441 -14.665 8.227 89 2HD LYS 11 2HD LYS 11 -3.370 -13.666 9.327 90 1HE LYS 11 1HE LYS 11 -4.929 -14.235 6.916 91 2HE LYS 11 2HE LYS 11 -4.353 -15.728 7.631 92 1HZ LYS 11 1HZ LYS 11 -5.288 -13.953 9.609 93 2HZ LYS 11 2HZ LYS 11 -6.447 -14.227 8.492 94 3HZ LYS 11 3HZ LYS 11 -5.766 -15.481 9.287 95 H TYR 12 H TYR 12 -0.585 -10.375 6.659 96 HA TYR 12 HA TYR 12 0.350 -11.825 4.508 97 1HB TYR 12 1HB TYR 12 0.995 -9.016 5.438 98 2HB TYR 12 2HB TYR 12 1.532 -9.653 3.875 99 HD1 TYR 12 HD1 TYR 12 -0.181 -10.366 2.175 100 HD2 TYR 12 HD2 TYR 12 -1.232 -8.255 5.766 101 HE1 TYR 12 HE1 TYR 12 -2.365 -9.750 1.174 102 HE2 TYR 12 HE2 TYR 12 -3.416 -7.640 4.765 103 HH TYR 12 HH TYR 12 -4.631 -7.548 2.767 104 H THR 13 H THR 13 2.099 -10.999 7.495 105 HA THR 13 HA THR 13 4.686 -11.443 6.368 106 HB THR 13 HB THR 13 3.581 -11.288 9.220 107 HG1 THR 13 HG1 THR 13 5.208 -9.545 7.510 108 1HG2 THR 13 1HG2 THR 13 6.285 -11.944 8.190 109 2HG2 THR 13 2HG2 THR 13 6.263 -10.497 9.226 110 3HG2 THR 13 3HG2 THR 13 5.658 -12.049 9.852 111 H ASN 14 H ASN 14 2.363 -13.429 8.292 112 HA ASN 14 HA ASN 14 4.044 -15.595 8.551 113 1HB ASN 14 1HB ASN 14 1.623 -15.026 9.547 114 2HB ASN 14 2HB ASN 14 1.053 -15.953 8.174 115 1HD2 ASN 14 2HD2 ASN 14 3.452 -16.065 10.796 116 2HD2 ASN 14 1HD2 ASN 14 3.320 -17.756 11.147 117 H ILE 15 H ILE 15 1.232 -15.090 6.271 118 HA ILE 15 HA ILE 15 1.471 -17.297 4.736 119 HB ILE 15 HB ILE 15 0.580 -14.500 4.221 120 1HG1 ILE 15 1HG1 ILE 15 -1.146 -16.819 3.629 121 2HG1 ILE 15 2HG1 ILE 15 -0.614 -16.723 5.296 122 1HG2 ILE 15 1HG2 ILE 15 1.003 -16.602 2.099 123 2HG2 ILE 15 2HG2 ILE 15 -0.223 -15.321 1.939 124 3HG2 ILE 15 3HG2 ILE 15 1.497 -14.892 2.098 125 1HD1 ILE 15 1HD1 ILE 15 -1.378 -14.321 5.370 126 2HD1 ILE 15 2HD1 ILE 15 -2.014 -14.516 3.719 127 3HD1 ILE 15 3HD1 ILE 15 -2.701 -15.470 5.056 128 H ALA 16 H ALA 16 3.340 -14.218 4.394 129 HA ALA 16 HA ALA 16 4.760 -15.003 2.124 130 1HB ALA 16 1HB ALA 16 4.984 -12.942 4.276 131 2HB ALA 16 2HB ALA 16 4.953 -12.749 2.507 132 3HB ALA 16 3HB ALA 16 6.448 -13.272 3.319 133 H HIS 17 H HIS 17 5.308 -15.510 5.642 134 HA HIS 17 HA HIS 17 7.884 -16.608 5.286 135 1HB HIS 17 1HB HIS 17 6.732 -15.572 7.385 136 2HB HIS 17 2HB HIS 17 6.094 -17.184 7.637 137 HD1 HIS 17 HD1 HIS 17 9.617 -16.069 6.582 138 HD2 HIS 17 HD2 HIS 17 7.674 -18.274 9.575 139 HE1 HIS 17 HE1 HIS 17 11.454 -17.029 8.069 140 H SER 18 H SER 18 4.565 -17.848 5.122 141 HA SER 18 HA SER 18 5.195 -20.531 5.480 142 1HB SER 18 1HB SER 18 2.901 -19.763 5.660 143 2HB SER 18 2HB SER 18 2.915 -19.133 4.025 144 HG SER 18 HG SER 18 1.911 -21.081 3.780 145 H ALA 19 H ALA 19 6.073 -18.349 3.011 146 HA ALA 19 HA ALA 19 6.325 -20.529 1.057 147 1HB ALA 19 1HB ALA 19 4.954 -18.408 0.528 148 2HB ALA 19 2HB ALA 19 6.197 -18.889 -0.651 149 3HB ALA 19 3HB ALA 19 6.516 -17.557 0.486 150 H ASN 20 H ASN 20 7.969 -17.721 2.631 151 HA ASN 20 HA ASN 20 10.475 -18.986 1.839 152 1HB ASN 20 1HB ASN 20 10.113 -16.722 0.807 153 2HB ASN 20 2HB ASN 20 9.906 -16.027 2.403 154 1HD2 ASN 20 2HD2 ASN 20 12.171 -18.374 0.962 155 2HD2 ASN 20 1HD2 ASN 20 13.637 -17.580 1.431 156 HA PRO 21 HA PRO 21 10.819 -19.246 6.315 157 1HB PRO 21 1HB PRO 21 12.972 -20.924 6.358 158 2HB PRO 21 2HB PRO 21 11.347 -21.473 5.831 159 1HG PRO 21 1HG PRO 21 13.736 -20.661 4.150 160 2HG PRO 21 2HG PRO 21 12.582 -22.022 3.966 161 1HD PRO 21 1HD PRO 21 12.458 -19.537 2.608 162 2HD PRO 21 2HD PRO 21 11.078 -20.655 2.828 163 H MET 22 H MET 22 11.882 -16.868 4.823 164 HA MET 22 HA MET 22 14.105 -16.409 6.614 165 1HB MET 22 1HB MET 22 14.255 -15.541 3.690 166 2HB MET 22 2HB MET 22 15.564 -15.613 4.853 167 1HG MET 22 1HG MET 22 14.893 -18.228 4.905 168 2HG MET 22 2HG MET 22 14.271 -17.858 3.309 169 1HE MET 22 1HE MET 22 16.344 -19.812 4.223 170 2HE MET 22 2HE MET 22 16.597 -19.779 2.461 171 3HE MET 22 3HE MET 22 17.977 -19.560 3.563 172 H TYR 23 H TYR 23 11.404 -15.601 6.748 173 HA TYR 23 HA TYR 23 11.743 -12.664 6.519 174 1HB TYR 23 1HB TYR 23 10.389 -13.749 4.591 175 2HB TYR 23 2HB TYR 23 9.140 -14.024 5.817 176 HD1 TYR 23 HD1 TYR 23 7.450 -12.458 5.881 177 HD2 TYR 23 HD2 TYR 23 11.402 -11.204 4.758 178 HE1 TYR 23 HE1 TYR 23 6.624 -10.141 5.561 179 HE2 TYR 23 HE2 TYR 23 10.576 -8.887 4.438 180 HH TYR 23 HH TYR 23 8.288 -7.739 3.931 181 H GLU 24 H GLU 24 11.629 -11.938 8.627 182 HA GLU 24 HA GLU 24 9.887 -13.451 10.387 183 1HB GLU 24 1HB GLU 24 12.181 -11.521 10.891 184 2HB GLU 24 2HB GLU 24 11.107 -12.028 12.180 185 1HG GLU 24 1HG GLU 24 12.112 -14.284 10.536 186 2HG GLU 24 2HG GLU 24 13.387 -13.396 11.348 187 H ALA 25 H ALA 25 10.680 -10.066 9.362 188 HA ALA 25 HA ALA 25 7.913 -9.354 9.599 189 1HB ALA 25 1HB ALA 25 9.705 -7.604 11.233 190 2HB ALA 25 2HB ALA 25 7.982 -7.995 11.449 191 3HB ALA 25 3HB ALA 25 9.229 -9.165 11.943 192 HA PRO 26 HA PRO 26 8.952 -6.723 6.286 193 1HB PRO 26 1HB PRO 26 7.335 -4.535 6.842 194 2HB PRO 26 2HB PRO 26 6.725 -6.105 6.224 195 1HG PRO 26 1HG PRO 26 6.693 -5.235 9.231 196 2HG PRO 26 2HG PRO 26 5.443 -5.903 8.130 197 1HD PRO 26 1HD PRO 26 6.969 -7.502 9.755 198 2HD PRO 26 2HD PRO 26 6.497 -8.029 8.111 199 H SER 27 H SER 27 9.078 -3.855 6.285 200 HA SER 27 HA SER 27 10.795 -3.173 8.482 201 1HB SER 27 1HB SER 27 12.334 -4.257 6.845 202 2HB SER 27 2HB SER 27 11.811 -3.135 5.604 203 HG SER 27 HG SER 27 12.914 -1.485 6.543 204 H ILE 28 H ILE 28 11.471 -0.761 8.283 205 HA ILE 28 HA ILE 28 9.369 0.674 6.814 206 HB ILE 28 HB ILE 28 9.376 2.319 8.597 207 1HG1 ILE 28 1HG1 ILE 28 11.019 0.568 10.382 208 2HG1 ILE 28 2HG1 ILE 28 11.856 1.588 9.229 209 1HG2 ILE 28 1HG2 ILE 28 8.895 -0.542 9.457 210 2HG2 ILE 28 2HG2 ILE 28 8.385 0.878 10.400 211 3HG2 ILE 28 3HG2 ILE 28 7.725 0.610 8.769 212 1HD1 ILE 28 1HD1 ILE 28 9.653 2.931 10.730 213 2HD1 ILE 28 2HD1 ILE 28 11.061 2.439 11.702 214 3HD1 ILE 28 3HD1 ILE 28 11.276 3.530 10.312 215 H THR 29 H THR 29 11.720 -0.047 5.497 216 HA THR 29 HA THR 29 12.783 2.572 4.941 217 HB THR 29 HB THR 29 14.541 0.326 6.063 218 HG1 THR 29 HG1 THR 29 13.656 1.543 7.760 219 1HG2 THR 29 1HG2 THR 29 15.182 3.064 4.862 220 2HG2 THR 29 2HG2 THR 29 16.293 2.214 5.963 221 3HG2 THR 29 3HG2 THR 29 15.870 1.490 4.393 222 H ASP 30 H ASP 30 11.088 0.699 3.545 223 HA ASP 30 HA ASP 30 12.739 0.478 1.219 224 1HB ASP 30 1HB ASP 30 12.304 -1.805 2.849 225 2HB ASP 30 2HB ASP 30 11.181 -1.989 1.516 226 H GLY 31 H GLY 31 9.604 -0.201 2.902 227 1HA GLY 31 1HA GLY 31 7.497 0.421 2.354 228 2HA GLY 31 2HA GLY 31 7.823 -0.516 0.909 229 H LYS 32 H LYS 32 9.697 2.421 1.633 230 HA LYS 32 HA LYS 32 8.019 4.181 0.181 231 1HB LYS 32 1HB LYS 32 9.886 5.758 0.421 232 2HB LYS 32 2HB LYS 32 9.475 4.990 1.941 233 1HG LYS 32 1HG LYS 32 11.358 3.410 1.706 234 2HG LYS 32 2HG LYS 32 11.726 4.035 0.111 235 1HD LYS 32 1HD LYS 32 12.524 6.106 0.957 236 2HD LYS 32 2HD LYS 32 11.670 5.929 2.477 237 1HE LYS 32 1HE LYS 32 13.225 3.800 2.797 238 2HE LYS 32 2HE LYS 32 14.222 4.563 1.574 239 1HZ LYS 32 1HZ LYS 32 13.315 6.213 3.774 240 2HZ LYS 32 2HZ LYS 32 14.484 5.117 4.089 241 3HZ LYS 32 3HZ LYS 32 14.724 6.263 2.950 242 H ILE 33 H ILE 33 11.030 2.330 -0.575 243 HA ILE 33 HA ILE 33 11.366 3.347 -3.142 244 HB ILE 33 HB ILE 33 12.151 0.716 -1.892 245 1HG1 ILE 33 1HG1 ILE 33 14.044 2.951 -2.517 246 2HG1 ILE 33 2HG1 ILE 33 13.001 3.110 -1.118 247 1HG2 ILE 33 1HG2 ILE 33 12.635 1.809 -4.636 248 2HG2 ILE 33 2HG2 ILE 33 13.922 0.880 -3.830 249 3HG2 ILE 33 3HG2 ILE 33 12.328 0.138 -4.104 250 1HD1 ILE 33 1HD1 ILE 33 14.090 0.425 -1.156 251 2HD1 ILE 33 2HD1 ILE 33 15.414 1.602 -1.328 252 3HD1 ILE 33 3HD1 ILE 33 14.313 1.700 0.067 253 H PHE 34 H PHE 34 9.720 0.301 -2.038 254 HA PHE 34 HA PHE 34 8.865 -0.497 -4.535 255 1HB PHE 34 1HB PHE 34 8.742 -1.920 -2.534 256 2HB PHE 34 2HB PHE 34 7.781 -0.733 -1.675 257 HD1 PHE 34 HD1 PHE 34 5.552 -1.227 -1.419 258 HD2 PHE 34 HD2 PHE 34 7.564 -2.686 -4.859 259 HE1 PHE 34 HE1 PHE 34 3.455 -2.396 -2.150 260 HE2 PHE 34 HE2 PHE 34 5.466 -3.855 -5.590 261 HZ PHE 34 HZ PHE 34 3.437 -3.696 -4.227 262 H PHE 35 H PHE 35 7.842 2.214 -2.603 263 HA PHE 35 HA PHE 35 5.370 2.403 -4.167 264 1HB PHE 35 1HB PHE 35 5.148 2.422 -1.678 265 2HB PHE 35 2HB PHE 35 6.387 3.654 -1.548 266 HD1 PHE 35 HD1 PHE 35 2.997 3.066 -2.967 267 HD2 PHE 35 HD2 PHE 35 5.787 5.904 -1.493 268 HE1 PHE 35 HE1 PHE 35 1.233 4.850 -3.061 269 HE2 PHE 35 HE2 PHE 35 4.023 7.687 -1.587 270 HZ PHE 35 HZ PHE 35 1.767 7.139 -2.370 271 H ASN 36 H ASN 36 8.504 3.301 -4.445 272 HA ASN 36 HA ASN 36 7.721 5.765 -5.747 273 1HB ASN 36 1HB ASN 36 9.986 5.441 -3.721 274 2HB ASN 36 2HB ASN 36 9.981 6.749 -4.887 275 1HD2 ASN 36 2HD2 ASN 36 10.014 7.439 -2.339 276 2HD2 ASN 36 1HD2 ASN 36 8.495 8.065 -1.789 277 H ARG 37 H ARG 37 8.409 2.930 -6.549 278 HA ARG 37 HA ARG 37 10.974 3.385 -7.825 279 1HB ARG 37 1HB ARG 37 10.562 1.271 -6.432 280 2HB ARG 37 2HB ARG 37 9.392 0.774 -7.638 281 1HG ARG 37 1HG ARG 37 11.031 0.014 -9.010 282 2HG ARG 37 2HG ARG 37 11.851 1.562 -8.973 283 1HD ARG 37 1HD ARG 37 12.419 0.521 -6.440 284 2HD ARG 37 2HD ARG 37 12.437 -0.911 -7.449 285 HE ARG 37 HE ARG 37 14.381 -0.127 -8.498 286 1HH1 ARG 37 1HH1 ARG 37 16.118 1.319 -8.834 287 2HH1 ARG 37 2HH1 ARG 37 16.036 2.931 -8.206 288 1HH2 ARG 37 1HH2 ARG 37 12.846 2.526 -6.768 289 2HH2 ARG 37 2HH2 ARG 37 14.163 3.622 -7.023 290 H LYS 38 H LYS 38 10.266 4.712 -9.596 291 HA LYS 38 HA LYS 38 8.045 4.456 -11.107 292 1HB LYS 38 1HB LYS 38 9.509 6.298 -11.431 293 2HB LYS 38 2HB LYS 38 10.859 5.265 -11.856 294 1HG LYS 38 1HG LYS 38 10.264 5.447 -14.034 295 2HG LYS 38 2HG LYS 38 8.796 4.559 -13.676 296 1HD LYS 38 1HD LYS 38 8.180 6.682 -14.712 297 2HD LYS 38 2HD LYS 38 7.667 6.714 -13.036 298 1HE LYS 38 1HE LYS 38 8.773 8.848 -13.679 299 2HE LYS 38 2HE LYS 38 9.659 8.035 -12.405 300 1HZ LYS 38 1HZ LYS 38 10.384 7.480 -15.163 301 2HZ LYS 38 2HZ LYS 38 10.865 8.893 -14.499 302 3HZ LYS 38 3HZ LYS 38 11.323 7.477 -13.826 303 H PHE 39 H PHE 39 7.234 2.406 -11.507 304 HA PHE 39 HA PHE 39 9.006 0.613 -12.998 305 1HB PHE 39 1HB PHE 39 7.271 -1.091 -12.255 306 2HB PHE 39 2HB PHE 39 8.014 -0.272 -10.896 307 HD1 PHE 39 HD1 PHE 39 4.985 -0.314 -13.029 308 HD2 PHE 39 HD2 PHE 39 6.710 0.955 -9.365 309 HE1 PHE 39 HE1 PHE 39 2.717 0.363 -12.196 310 HE2 PHE 39 HE2 PHE 39 4.441 1.632 -8.532 311 HZ PHE 39 HZ PHE 39 2.471 1.328 -9.957 312 H LYS 40 H LYS 40 7.949 -0.706 -14.755 313 HA LYS 40 HA LYS 40 6.058 1.008 -16.196 314 1HB LYS 40 1HB LYS 40 6.911 0.004 -18.223 315 2HB LYS 40 2HB LYS 40 8.241 0.642 -17.276 316 1HG LYS 40 1HG LYS 40 9.201 -1.408 -17.109 317 2HG LYS 40 2HG LYS 40 7.725 -2.111 -16.479 318 1HD LYS 40 1HD LYS 40 8.047 -3.305 -18.490 319 2HD LYS 40 2HD LYS 40 6.877 -2.085 -18.952 320 1HE LYS 40 1HE LYS 40 9.135 -0.682 -19.486 321 2HE LYS 40 2HE LYS 40 9.790 -2.296 -19.676 322 1HZ LYS 40 1HZ LYS 40 7.295 -1.508 -20.986 323 2HZ LYS 40 2HZ LYS 40 8.748 -1.229 -21.678 324 3HZ LYS 40 3HZ LYS 40 8.279 -2.759 -21.354 325 H THR 41 H THR 41 4.053 0.253 -16.798 326 HA THR 41 HA THR 41 3.191 -2.175 -15.512 327 HB THR 41 HB THR 41 0.968 -1.381 -16.283 328 HG1 THR 41 HG1 THR 41 1.028 0.504 -17.726 329 1HG2 THR 41 1HG2 THR 41 2.332 -0.066 -14.403 330 2HG2 THR 41 2HG2 THR 41 2.444 1.193 -15.655 331 3HG2 THR 41 3HG2 THR 41 0.850 0.650 -15.079 332 HA PRO 42 HA PRO 42 3.516 -5.069 -18.712 333 1HB PRO 42 1HB PRO 42 1.154 -6.473 -18.382 334 2HB PRO 42 2HB PRO 42 2.535 -6.567 -17.242 335 1HG PRO 42 1HG PRO 42 -0.121 -4.798 -16.546 336 2HG PRO 42 2HG PRO 42 1.030 -6.087 -16.066 337 1HD PRO 42 1HD PRO 42 1.340 -3.225 -15.781 338 2HD PRO 42 2HD PRO 42 2.587 -4.475 -15.491 339 H SER 43 H SER 43 1.203 -2.514 -18.709 340 HA SER 43 HA SER 43 0.246 -3.374 -21.322 341 1HB SER 43 1HB SER 43 -1.748 -2.301 -20.901 342 2HB SER 43 2HB SER 43 -1.282 -2.623 -19.243 343 HG SER 43 HG SER 43 -1.143 -0.521 -18.887 344 H GLY 44 H GLY 44 2.941 -2.289 -20.846 345 1HA GLY 44 1HA GLY 44 3.232 -0.535 -22.928 346 2HA GLY 44 2HA GLY 44 4.348 -0.695 -21.586 347 H LYS 45 H LYS 45 4.042 0.663 -19.643 348 HA LYS 45 HA LYS 45 3.554 3.304 -20.256 349 1HB LYS 45 1HB LYS 45 1.248 3.007 -20.503 350 2HB LYS 45 2HB LYS 45 1.142 1.858 -19.184 351 1HG LYS 45 1HG LYS 45 2.131 4.621 -18.517 352 2HG LYS 45 2HG LYS 45 0.431 4.457 -18.908 353 1HD LYS 45 1HD LYS 45 1.396 2.353 -17.059 354 2HD LYS 45 2HD LYS 45 1.582 3.969 -16.409 355 1HE LYS 45 1HE LYS 45 -0.865 4.404 -17.056 356 2HE LYS 45 2HE LYS 45 -0.996 2.698 -17.436 357 1HZ LYS 45 1HZ LYS 45 0.187 3.001 -14.924 358 2HZ LYS 45 2HZ LYS 45 -1.193 3.874 -14.962 359 3HZ LYS 45 3HZ LYS 45 -1.227 2.277 -15.304 360 H GLU 46 H GLU 46 4.804 4.382 -18.824 361 HA GLU 46 HA GLU 46 5.713 2.942 -16.543 362 1HB GLU 46 1HB GLU 46 6.960 4.668 -18.165 363 2HB GLU 46 2HB GLU 46 6.374 5.847 -17.008 364 1HG GLU 46 1HG GLU 46 7.574 4.850 -15.196 365 2HG GLU 46 2HG GLU 46 7.803 3.341 -16.056 366 H ALA 47 H ALA 47 4.928 3.078 -14.476 367 HA ALA 47 HA ALA 47 3.454 5.482 -13.732 368 1HB ALA 47 1HB ALA 47 2.367 2.692 -13.967 369 2HB ALA 47 2HB ALA 47 1.575 4.254 -14.285 370 3HB ALA 47 3HB ALA 47 1.816 3.703 -12.609 371 H ALA 48 H ALA 48 2.811 5.097 -11.209 372 HA ALA 48 HA ALA 48 4.737 3.520 -9.795 373 1HB ALA 48 1HB ALA 48 5.107 6.466 -10.215 374 2HB ALA 48 2HB ALA 48 6.322 5.178 -10.034 375 3HB ALA 48 3HB ALA 48 5.465 5.801 -8.604 376 H CYS 49 H CYS 49 4.267 3.489 -7.474 377 HA CYS 49 HA CYS 49 1.517 3.658 -6.989 378 1HB CYS 49 1HB CYS 49 3.782 3.410 -4.998 379 2HB CYS 49 2HB CYS 49 2.090 3.082 -4.680 380 H ALA 50 H ALA 50 3.995 6.025 -7.139 381 HA ALA 50 HA ALA 50 2.583 7.791 -5.274 382 1HB ALA 50 1HB ALA 50 4.825 7.818 -4.662 383 2HB ALA 50 2HB ALA 50 4.772 9.180 -5.807 384 3HB ALA 50 3HB ALA 50 5.395 7.597 -6.333 385 H SER 51 H SER 51 2.261 6.850 -8.371 386 HA SER 51 HA SER 51 2.441 9.322 -9.714 387 1HB SER 51 1HB SER 51 1.365 8.135 -11.577 388 2HB SER 51 2HB SER 51 2.626 7.141 -10.877 389 HG SER 51 HG SER 51 -0.034 6.850 -9.870 390 H CYS 52 H CYS 52 -0.042 7.572 -7.859 391 HA CYS 52 HA CYS 52 -1.918 9.733 -8.495 392 1HB CYS 52 1HB CYS 52 -2.574 6.897 -7.629 393 2HB CYS 52 2HB CYS 52 -3.737 8.166 -7.958 394 H HIS 53 H HIS 53 -0.553 7.525 -6.088 395 HA HIS 53 HA HIS 53 -1.760 8.996 -3.827 396 1HB HIS 53 1HB HIS 53 0.172 6.613 -3.858 397 2HB HIS 53 2HB HIS 53 -0.797 7.228 -2.450 398 HD1 HIS 53 HD1 HIS 53 -3.529 7.298 -3.312 399 HD2 HIS 53 HD2 HIS 53 -0.965 4.319 -4.734 400 HE1 HIS 53 HE1 HIS 53 -5.038 5.348 -4.062 401 H THR 54 H THR 54 0.441 10.048 -5.836 402 HA THR 54 HA THR 54 2.322 11.250 -5.749 403 HB THR 54 HB THR 54 2.320 12.912 -3.857 404 HG1 THR 54 HG1 THR 54 1.642 11.684 -2.082 405 1HG2 THR 54 1HG2 THR 54 -0.034 12.280 -5.521 406 2HG2 THR 54 2HG2 THR 54 -0.492 13.040 -3.978 407 3HG2 THR 54 3HG2 THR 54 0.633 13.870 -5.079 408 H ASN 55 H ASN 55 4.372 11.846 -4.350 409 HA ASN 55 HA ASN 55 5.706 9.501 -3.974 410 1HB ASN 55 1HB ASN 55 7.406 10.955 -2.735 411 2HB ASN 55 2HB ASN 55 6.931 11.578 -4.302 412 1HD2 ASN 55 2HD2 ASN 55 5.802 13.444 -4.484 413 2HD2 ASN 55 1HD2 ASN 55 5.436 14.509 -3.167 414 H ASN 56 H ASN 56 3.579 11.347 -1.836 415 HA ASN 56 HA ASN 56 4.220 9.465 0.296 416 1HB ASN 56 1HB ASN 56 4.746 12.126 0.502 417 2HB ASN 56 2HB ASN 56 3.056 12.170 0.965 418 1HD2 ASN 56 2HD2 ASN 56 3.238 12.590 3.076 419 2HD2 ASN 56 1HD2 ASN 56 3.991 11.563 4.249 420 HA PRO 57 HA PRO 57 -0.124 8.565 -0.324 421 1HB PRO 57 1HB PRO 57 -0.363 6.716 1.680 422 2HB PRO 57 2HB PRO 57 0.560 6.390 0.177 423 1HG PRO 57 1HG PRO 57 1.788 7.196 2.876 424 2HG PRO 57 2HG PRO 57 2.101 5.917 1.659 425 1HD PRO 57 1HD PRO 57 3.402 8.399 1.743 426 2HD PRO 57 2HD PRO 57 3.189 7.438 0.249 427 H ALA 58 H ALA 58 1.299 9.337 2.938 428 HA ALA 58 HA ALA 58 -1.116 9.867 4.204 429 1HB ALA 58 1HB ALA 58 1.712 10.910 4.588 430 2HB ALA 58 2HB ALA 58 0.378 11.290 5.702 431 3HB ALA 58 3HB ALA 58 0.896 9.602 5.478 432 H ASN 59 H ASN 59 0.457 11.491 1.590 433 HA ASN 59 HA ASN 59 -0.694 14.033 2.246 434 1HB ASN 59 1HB ASN 59 1.571 13.474 0.941 435 2HB ASN 59 2HB ASN 59 0.517 13.337 -0.452 436 1HD2 ASN 59 2HD2 ASN 59 2.558 15.240 -0.130 437 2HD2 ASN 59 1HD2 ASN 59 1.865 16.828 -0.095 438 H VAL 60 H VAL 60 -1.828 15.118 0.100 439 HA VAL 60 HA VAL 60 -4.116 13.466 -0.409 440 HB VAL 60 HB VAL 60 -3.299 16.279 -1.121 441 1HG1 VAL 60 1HG1 VAL 60 -5.315 14.604 -2.406 442 2HG1 VAL 60 2HG1 VAL 60 -6.019 16.067 -1.677 443 3HG1 VAL 60 3HG1 VAL 60 -4.701 16.211 -2.864 444 1HG2 VAL 60 1HG2 VAL 60 -4.371 15.195 1.190 445 2HG2 VAL 60 2HG2 VAL 60 -4.430 16.908 0.711 446 3HG2 VAL 60 3HG2 VAL 60 -5.799 15.833 0.342 447 H GLY 61 H GLY 61 -4.223 11.988 -2.011 448 1HA GLY 61 1HA GLY 61 -3.574 10.820 -3.843 449 2HA GLY 61 2HA GLY 61 -2.223 11.913 -4.068 450 H LYS 62 H LYS 62 -3.551 11.085 -6.327 451 HA LYS 62 HA LYS 62 -5.732 12.708 -7.040 452 1HB LYS 62 1HB LYS 62 -4.369 14.614 -7.022 453 2HB LYS 62 2HB LYS 62 -2.985 13.765 -7.680 454 1HG LYS 62 1HG LYS 62 -4.880 13.373 -9.674 455 2HG LYS 62 2HG LYS 62 -5.308 14.969 -9.090 456 1HD LYS 62 1HD LYS 62 -2.486 14.142 -9.921 457 2HD LYS 62 2HD LYS 62 -3.608 15.000 -10.958 458 1HE LYS 62 1HE LYS 62 -3.421 16.347 -8.373 459 2HE LYS 62 2HE LYS 62 -1.818 16.123 -9.045 460 1HZ LYS 62 1HZ LYS 62 -2.997 16.962 -11.182 461 2HZ LYS 62 2HZ LYS 62 -4.047 17.629 -10.125 462 3HZ LYS 62 3HZ LYS 62 -2.464 18.023 -10.061 463 H ASN 63 H ASN 63 -6.763 11.514 -8.545 464 HA ASN 63 HA ASN 63 -5.373 9.352 -9.721 465 1HB ASN 63 1HB ASN 63 -8.196 10.469 -10.114 466 2HB ASN 63 2HB ASN 63 -7.633 9.013 -10.909 467 1HD2 ASN 63 2HD2 ASN 63 -9.800 8.969 -9.259 468 2HD2 ASN 63 1HD2 ASN 63 -9.465 8.084 -7.809 469 H ILE 64 H ILE 64 -4.615 9.203 -11.887 470 HA ILE 64 HA ILE 64 -4.503 11.695 -13.339 471 HB ILE 64 HB ILE 64 -2.846 10.674 -14.649 472 1HG1 ILE 64 1HG1 ILE 64 -3.755 7.996 -13.556 473 2HG1 ILE 64 2HG1 ILE 64 -4.015 8.591 -15.183 474 1HG2 ILE 64 1HG2 ILE 64 -2.736 10.568 -11.787 475 2HG2 ILE 64 2HG2 ILE 64 -1.789 9.219 -12.461 476 3HG2 ILE 64 3HG2 ILE 64 -1.433 10.891 -12.956 477 1HD1 ILE 64 1HD1 ILE 64 -1.435 8.848 -15.332 478 2HD1 ILE 64 2HD1 ILE 64 -1.381 7.848 -13.860 479 3HD1 ILE 64 3HD1 ILE 64 -2.092 7.194 -15.355 480 H VAL 65 H VAL 65 -6.947 9.642 -12.924 481 HA VAL 65 HA VAL 65 -7.561 9.146 -15.709 482 HB VAL 65 HB VAL 65 -8.953 8.528 -13.101 483 1HG1 VAL 65 1HG1 VAL 65 -10.172 8.806 -15.621 484 2HG1 VAL 65 2HG1 VAL 65 -9.975 7.054 -15.376 485 3HG1 VAL 65 3HG1 VAL 65 -10.848 8.029 -14.170 486 1HG2 VAL 65 1HG2 VAL 65 -7.187 7.012 -14.988 487 2HG2 VAL 65 2HG2 VAL 65 -7.230 7.010 -13.209 488 3HG2 VAL 65 3HG2 VAL 65 -8.475 6.133 -14.130 489 H THR 66 H THR 66 -8.990 10.959 -12.901 490 HA THR 66 HA THR 66 -10.413 12.613 -14.876 491 HB THR 66 HB THR 66 -11.996 13.030 -13.019 492 HG1 THR 66 HG1 THR 66 -11.429 12.012 -10.957 493 1HG2 THR 66 1HG2 THR 66 -11.444 10.372 -14.043 494 2HG2 THR 66 2HG2 THR 66 -11.872 10.242 -12.320 495 3HG2 THR 66 3HG2 THR 66 -12.994 11.024 -13.459 496 H GLY 67 H GLY 67 -8.136 12.609 -12.134 497 1HA GLY 67 1HA GLY 67 -7.306 15.289 -12.905 498 2HA GLY 67 2HA GLY 67 -6.503 14.193 -11.797 499 H LYS 68 H LYS 68 -8.532 13.524 -9.974 500 HA LYS 68 HA LYS 68 -9.432 16.124 -8.969 501 1HB LYS 68 1HB LYS 68 -10.765 13.670 -9.300 502 2HB LYS 68 2HB LYS 68 -10.499 13.813 -7.574 503 1HG LYS 68 1HG LYS 68 -12.263 15.237 -7.496 504 2HG LYS 68 2HG LYS 68 -11.279 16.409 -8.350 505 1HD LYS 68 1HD LYS 68 -12.863 16.297 -9.986 506 2HD LYS 68 2HD LYS 68 -12.110 14.780 -10.433 507 1HE LYS 68 1HE LYS 68 -13.716 13.483 -9.219 508 2HE LYS 68 2HE LYS 68 -14.249 14.859 -8.275 509 1HZ LYS 68 1HZ LYS 68 -14.888 15.780 -10.574 510 2HZ LYS 68 2HZ LYS 68 -14.852 14.217 -11.046 511 3HZ LYS 68 3HZ LYS 68 -15.862 14.686 -9.852 512 H GLU 69 H GLU 69 -9.758 15.398 -6.251 513 HA GLU 69 HA GLU 69 -6.953 15.050 -5.531 514 1HB GLU 69 1HB GLU 69 -9.092 16.528 -3.940 515 2HB GLU 69 2HB GLU 69 -7.375 16.482 -3.593 516 1HG GLU 69 1HG GLU 69 -8.542 17.608 -6.181 517 2HG GLU 69 2HG GLU 69 -8.168 18.592 -4.781 518 H ILE 70 H ILE 70 -6.746 12.896 -4.983 519 HA ILE 70 HA ILE 70 -8.898 11.577 -3.597 520 HB ILE 70 HB ILE 70 -6.174 10.657 -4.518 521 1HG1 ILE 70 1HG1 ILE 70 -8.162 11.300 -6.143 522 2HG1 ILE 70 2HG1 ILE 70 -7.140 9.908 -6.441 523 1HG2 ILE 70 1HG2 ILE 70 -6.948 9.404 -2.532 524 2HG2 ILE 70 2HG2 ILE 70 -8.444 8.988 -3.402 525 3HG2 ILE 70 3HG2 ILE 70 -6.874 8.401 -4.001 526 1HD1 ILE 70 1HD1 ILE 70 -9.693 9.662 -4.809 527 2HD1 ILE 70 2HD1 ILE 70 -9.701 9.548 -6.585 528 3HD1 ILE 70 3HD1 ILE 70 -8.774 8.372 -5.622 529 HA PRO 71 HA PRO 71 -7.743 13.005 0.411 530 1HB PRO 71 1HB PRO 71 -9.124 10.409 1.125 531 2HB PRO 71 2HB PRO 71 -9.386 12.078 1.729 532 1HG PRO 71 1HG PRO 71 -10.942 10.894 0.041 533 2HG PRO 71 2HG PRO 71 -10.824 12.682 -0.030 534 1HD PRO 71 1HD PRO 71 -9.804 10.606 -1.916 535 2HD PRO 71 2HD PRO 71 -9.996 12.367 -2.175 536 HA PRO 72 HA PRO 72 -4.084 10.948 1.659 537 1HB PRO 72 1HB PRO 72 -4.748 10.260 4.338 538 2HB PRO 72 2HB PRO 72 -4.062 11.816 3.769 539 1HG PRO 72 1HG PRO 72 -6.846 11.000 4.205 540 2HG PRO 72 2HG PRO 72 -6.356 12.631 4.770 541 1HD PRO 72 1HD PRO 72 -7.648 12.598 2.516 542 2HD PRO 72 2HD PRO 72 -6.014 13.322 2.409 543 H LEU 73 H LEU 73 -3.365 8.844 1.260 544 HA LEU 73 HA LEU 73 -5.397 6.793 1.225 545 1HB LEU 73 1HB LEU 73 -4.003 6.944 -0.685 546 2HB LEU 73 2HB LEU 73 -2.541 6.953 0.282 547 HG LEU 73 HG LEU 73 -3.496 4.560 1.036 548 1HD1 LEU 73 1HD1 LEU 73 -5.504 4.978 -0.517 549 2HD1 LEU 73 2HD1 LEU 73 -4.373 4.628 -1.846 550 3HD1 LEU 73 3HD1 LEU 73 -4.689 3.398 -0.599 551 1HD2 LEU 73 1HD2 LEU 73 -1.739 5.403 -1.234 552 2HD2 LEU 73 2HD2 LEU 73 -1.335 4.551 0.277 553 3HD2 LEU 73 3HD2 LEU 73 -2.144 3.679 -1.048 554 H ALA 74 H ALA 74 -2.617 7.844 3.166 555 HA ALA 74 HA ALA 74 -1.843 5.660 4.496 556 1HB ALA 74 1HB ALA 74 -0.823 7.650 5.144 557 2HB ALA 74 2HB ALA 74 -2.373 8.503 5.342 558 3HB ALA 74 3HB ALA 74 -1.851 7.311 6.556 559 HA PRO 75 HA PRO 75 -5.867 4.025 5.693 560 1HB PRO 75 1HB PRO 75 -4.060 1.787 6.554 561 2HB PRO 75 2HB PRO 75 -5.480 1.786 5.458 562 1HG PRO 75 1HG PRO 75 -3.064 1.527 4.651 563 2HG PRO 75 2HG PRO 75 -4.132 2.319 3.447 564 1HD PRO 75 1HD PRO 75 -2.024 3.480 5.246 565 2HD PRO 75 2HD PRO 75 -2.704 4.138 3.727 566 H ARG 76 H ARG 76 -2.976 4.897 7.464 567 HA ARG 76 HA ARG 76 -4.291 4.201 9.948 568 1HB ARG 76 1HB ARG 76 -1.832 3.609 9.511 569 2HB ARG 76 2HB ARG 76 -1.475 5.324 9.539 570 1HG ARG 76 1HG ARG 76 -3.019 4.863 11.877 571 2HG ARG 76 2HG ARG 76 -1.928 3.495 11.781 572 1HD ARG 76 1HD ARG 76 -0.656 5.098 12.973 573 2HD ARG 76 2HD ARG 76 -0.050 5.263 11.337 574 HE ARG 76 HE ARG 76 -1.126 7.367 11.144 575 1HH1 ARG 76 1HH1 ARG 76 -2.085 9.236 12.043 576 2HH1 ARG 76 2HH1 ARG 76 -2.795 9.170 13.622 577 1HH2 ARG 76 1HH2 ARG 76 -2.045 5.767 14.140 578 2HH2 ARG 76 2HH2 ARG 76 -2.772 7.183 14.823 579 H VAL 77 H VAL 77 -2.569 6.969 8.327 580 HA VAL 77 HA VAL 77 -3.141 8.897 10.216 581 HB VAL 77 HB VAL 77 -2.687 8.987 7.238 582 1HG1 VAL 77 1HG1 VAL 77 -2.957 11.332 9.149 583 2HG1 VAL 77 2HG1 VAL 77 -2.320 11.433 7.490 584 3HG1 VAL 77 3HG1 VAL 77 -4.011 10.950 7.766 585 1HG2 VAL 77 1HG2 VAL 77 -1.005 9.081 9.677 586 2HG2 VAL 77 2HG2 VAL 77 -0.625 8.503 8.037 587 3HG2 VAL 77 3HG2 VAL 77 -0.579 10.246 8.400 588 H ASN 78 H ASN 78 -5.098 7.635 7.477 589 HA ASN 78 HA ASN 78 -7.182 9.506 8.166 590 1HB ASN 78 1HB ASN 78 -6.746 9.162 5.768 591 2HB ASN 78 2HB ASN 78 -6.892 7.424 5.941 592 1HD2 ASN 78 2HD2 ASN 78 -8.398 8.187 4.082 593 2HD2 ASN 78 1HD2 ASN 78 -10.067 8.391 4.497 594 H THR 79 H THR 79 -8.361 8.793 9.972 595 HA THR 79 HA THR 79 -8.573 6.118 10.757 596 HB THR 79 HB THR 79 -10.165 7.038 12.381 597 HG1 THR 79 HG1 THR 79 -10.207 9.100 10.304 598 1HG2 THR 79 1HG2 THR 79 -7.640 8.090 12.131 599 2HG2 THR 79 2HG2 THR 79 -8.619 9.558 11.891 600 3HG2 THR 79 3HG2 THR 79 -8.788 8.609 13.388 601 H LYS 80 H LYS 80 -10.148 7.852 8.197 602 HA LYS 80 HA LYS 80 -12.404 6.034 8.182 603 1HB LYS 80 1HB LYS 80 -11.656 8.346 6.366 604 2HB LYS 80 2HB LYS 80 -13.127 7.403 6.238 605 1HG LYS 80 1HG LYS 80 -12.353 8.768 8.845 606 2HG LYS 80 2HG LYS 80 -13.219 9.632 7.590 607 1HD LYS 80 1HD LYS 80 -15.169 8.387 7.870 608 2HD LYS 80 2HD LYS 80 -14.311 6.943 8.369 609 1HE LYS 80 1HE LYS 80 -15.100 7.542 10.451 610 2HE LYS 80 2HE LYS 80 -13.661 8.543 10.467 611 1HZ LYS 80 1HZ LYS 80 -15.583 9.980 9.141 612 2HZ LYS 80 2HZ LYS 80 -16.340 9.345 10.442 613 3HZ LYS 80 3HZ LYS 80 -15.002 10.261 10.641 614 H ARG 81 H ARG 81 -9.987 4.642 8.045 615 HA ARG 81 HA ARG 81 -10.285 3.551 5.402 616 1HB ARG 81 1HB ARG 81 -7.598 4.455 6.552 617 2HB ARG 81 2HB ARG 81 -7.746 3.410 5.153 618 1HG ARG 81 1HG ARG 81 -9.155 6.105 5.260 619 2HG ARG 81 2HG ARG 81 -7.485 5.975 4.745 620 1HD ARG 81 1HD ARG 81 -8.201 4.286 2.994 621 2HD ARG 81 2HD ARG 81 -9.868 4.544 3.471 622 HE ARG 81 HE ARG 81 -8.148 6.438 1.993 623 1HH1 ARG 81 1HH1 ARG 81 -9.177 8.258 1.073 624 2HH1 ARG 81 2HH1 ARG 81 -10.805 8.649 1.518 625 1HH2 ARG 81 1HH2 ARG 81 -11.159 5.943 3.745 626 2HH2 ARG 81 2HH2 ARG 81 -11.940 7.323 3.048 627 H PHE 82 H PHE 82 -8.779 1.422 5.297 628 HA PHE 82 HA PHE 82 -8.805 -0.671 6.100 629 1HB PHE 82 1HB PHE 82 -7.117 1.138 7.863 630 2HB PHE 82 2HB PHE 82 -7.277 -0.533 8.366 631 HD1 PHE 82 HD1 PHE 82 -4.751 -0.507 8.081 632 HD2 PHE 82 HD2 PHE 82 -7.431 -0.102 4.815 633 HE1 PHE 82 HE1 PHE 82 -2.918 -1.159 6.495 634 HE2 PHE 82 HE2 PHE 82 -5.598 -0.754 3.230 635 HZ PHE 82 HZ PHE 82 -3.363 -1.275 4.089 636 H THR 83 H THR 83 -11.260 -0.289 6.621 637 HA THR 83 HA THR 83 -11.720 -0.336 9.512 638 HB THR 83 HB THR 83 -13.635 -0.118 7.129 639 HG1 THR 83 HG1 THR 83 -12.495 1.823 7.241 640 1HG2 THR 83 1HG2 THR 83 -14.165 -0.627 9.885 641 2HG2 THR 83 2HG2 THR 83 -14.445 1.116 9.654 642 3HG2 THR 83 3HG2 THR 83 -15.331 -0.067 8.662 643 H ASP 84 H ASP 84 -12.806 -2.174 6.573 644 HA ASP 84 HA ASP 84 -13.005 -4.465 8.362 645 1HB ASP 84 1HB ASP 84 -14.515 -3.582 5.905 646 2HB ASP 84 2HB ASP 84 -14.351 -5.305 6.177 647 H ILE 85 H ILE 85 -10.972 -5.489 8.148 648 HA ILE 85 HA ILE 85 -9.212 -5.385 6.133 649 HB ILE 85 HB ILE 85 -9.944 -7.639 7.983 650 1HG1 ILE 85 1HG1 ILE 85 -7.452 -5.937 7.981 651 2HG1 ILE 85 2HG1 ILE 85 -8.929 -5.391 8.748 652 1HG2 ILE 85 1HG2 ILE 85 -7.889 -7.596 5.797 653 2HG2 ILE 85 2HG2 ILE 85 -7.561 -8.466 7.314 654 3HG2 ILE 85 3HG2 ILE 85 -8.970 -8.908 6.321 655 1HD1 ILE 85 1HD1 ILE 85 -8.253 -8.182 9.447 656 2HD1 ILE 85 2HD1 ILE 85 -7.005 -7.010 9.934 657 3HD1 ILE 85 3HD1 ILE 85 -8.679 -6.817 10.507 658 H ASP 86 H ASP 86 -12.126 -7.504 6.296 659 HA ASP 86 HA ASP 86 -11.780 -9.144 4.270 660 1HB ASP 86 1HB ASP 86 -13.901 -8.630 5.686 661 2HB ASP 86 2HB ASP 86 -14.308 -7.453 4.452 662 H LYS 87 H LYS 87 -13.149 -5.775 3.918 663 HA LYS 87 HA LYS 87 -12.636 -5.887 1.064 664 1HB LYS 87 1HB LYS 87 -13.901 -3.772 1.012 665 2HB LYS 87 2HB LYS 87 -14.802 -5.077 1.758 666 1HG LYS 87 1HG LYS 87 -14.934 -3.977 3.746 667 2HG LYS 87 2HG LYS 87 -13.213 -3.647 3.763 668 1HD LYS 87 1HD LYS 87 -13.774 -1.820 1.951 669 2HD LYS 87 2HD LYS 87 -15.430 -2.003 2.494 670 1HE LYS 87 1HE LYS 87 -14.159 -1.775 4.919 671 2HE LYS 87 2HE LYS 87 -13.084 -0.815 3.922 672 1HZ LYS 87 1HZ LYS 87 -15.786 -0.238 3.358 673 2HZ LYS 87 2HZ LYS 87 -15.469 -0.023 4.945 674 3HZ LYS 87 3HZ LYS 87 -14.591 0.773 3.822 675 H VAL 88 H VAL 88 -10.278 -6.001 1.259 676 HA VAL 88 HA VAL 88 -9.044 -3.598 0.831 677 HB VAL 88 HB VAL 88 -9.625 -3.886 3.558 678 1HG1 VAL 88 1HG1 VAL 88 -7.692 -5.483 3.647 679 2HG1 VAL 88 2HG1 VAL 88 -6.633 -4.152 3.124 680 3HG1 VAL 88 3HG1 VAL 88 -7.499 -4.043 4.675 681 1HG2 VAL 88 1HG2 VAL 88 -9.054 -1.867 1.918 682 2HG2 VAL 88 2HG2 VAL 88 -8.882 -1.721 3.684 683 3HG2 VAL 88 3HG2 VAL 88 -7.450 -2.032 2.672 684 H GLU 89 H GLU 89 -8.895 -6.914 2.152 685 HA GLU 89 HA GLU 89 -6.177 -7.265 1.527 686 1HB GLU 89 1HB GLU 89 -7.073 -8.700 3.198 687 2HB GLU 89 2HB GLU 89 -8.464 -9.128 2.223 688 1HG GLU 89 1HG GLU 89 -6.984 -10.353 0.630 689 2HG GLU 89 2HG GLU 89 -5.579 -9.901 1.574 690 H ASP 90 H ASP 90 -9.260 -8.374 -0.048 691 HA ASP 90 HA ASP 90 -7.985 -9.570 -2.196 692 1HB ASP 90 1HB ASP 90 -10.287 -9.233 -3.318 693 2HB ASP 90 2HB ASP 90 -10.260 -10.154 -1.828 694 H GLU 91 H GLU 91 -9.548 -6.316 -1.737 695 HA GLU 91 HA GLU 91 -9.311 -5.326 -4.227 696 1HB GLU 91 1HB GLU 91 -9.118 -4.049 -1.493 697 2HB GLU 91 2HB GLU 91 -8.896 -3.058 -2.921 698 1HG GLU 91 1HG GLU 91 -11.258 -4.898 -2.978 699 2HG GLU 91 2HG GLU 91 -11.342 -3.594 -1.810 700 H PHE 92 H PHE 92 -6.758 -5.657 -1.729 701 HA PHE 92 HA PHE 92 -4.827 -4.098 -3.002 702 1HB PHE 92 1HB PHE 92 -5.167 -5.984 -0.784 703 2HB PHE 92 2HB PHE 92 -3.675 -6.373 -1.618 704 HD1 PHE 92 HD1 PHE 92 -2.592 -3.810 -2.397 705 HD2 PHE 92 HD2 PHE 92 -4.637 -4.873 1.166 706 HE1 PHE 92 HE1 PHE 92 -1.423 -1.956 -1.173 707 HE2 PHE 92 HE2 PHE 92 -3.469 -3.019 2.390 708 HZ PHE 92 HZ PHE 92 -1.876 -1.582 1.206 709 H THR 93 H THR 93 -6.029 -7.370 -3.609 710 HA THR 93 HA THR 93 -3.724 -8.023 -5.259 711 HB THR 93 HB THR 93 -6.120 -9.435 -4.082 712 HG1 THR 93 HG1 THR 93 -4.353 -10.434 -3.158 713 1HG2 THR 93 1HG2 THR 93 -4.606 -10.246 -6.603 714 2HG2 THR 93 2HG2 THR 93 -5.273 -11.467 -5.493 715 3HG2 THR 93 3HG2 THR 93 -6.360 -10.315 -6.304 716 H LYS 94 H LYS 94 -7.145 -7.034 -5.566 717 HA LYS 94 HA LYS 94 -7.214 -7.516 -8.366 718 1HB LYS 94 1HB LYS 94 -9.036 -5.704 -6.769 719 2HB LYS 94 2HB LYS 94 -9.380 -6.509 -8.286 720 1HG LYS 94 1HG LYS 94 -8.528 -8.478 -6.314 721 2HG LYS 94 2HG LYS 94 -9.825 -7.507 -5.647 722 1HD LYS 94 1HD LYS 94 -10.272 -8.337 -8.468 723 2HD LYS 94 2HD LYS 94 -10.172 -9.676 -7.343 724 1HE LYS 94 1HE LYS 94 -11.910 -8.583 -5.899 725 2HE LYS 94 2HE LYS 94 -12.018 -7.258 -7.041 726 1HZ LYS 94 1HZ LYS 94 -12.515 -10.062 -7.760 727 2HZ LYS 94 2HZ LYS 94 -13.691 -9.001 -7.362 728 3HZ LYS 94 3HZ LYS 94 -12.782 -8.751 -8.696 729 H HIS 95 H HIS 95 -6.191 -4.961 -6.254 730 HA HIS 95 HA HIS 95 -6.190 -2.809 -8.179 731 1HB HIS 95 1HB HIS 95 -6.222 -2.678 -5.634 732 2HB HIS 95 2HB HIS 95 -4.459 -3.110 -5.669 733 HD1 HIS 95 HD1 HIS 95 -5.280 -0.932 -8.416 734 HD2 HIS 95 HD2 HIS 95 -4.341 -0.433 -4.374 735 HE1 HIS 95 HE1 HIS 95 -4.581 1.533 -8.140 736 H CYS 96 H CYS 96 -3.474 -4.744 -6.780 737 HA CYS 96 HA CYS 96 -1.459 -3.829 -8.500 738 1HB CYS 96 1HB CYS 96 -1.927 -6.267 -6.819 739 2HB CYS 96 2HB CYS 96 -0.599 -6.317 -8.004 740 H ASN 97 H ASN 97 -4.154 -6.070 -9.117 741 HA ASN 97 HA ASN 97 -2.884 -7.224 -11.368 742 1HB ASN 97 1HB ASN 97 -5.403 -7.515 -9.892 743 2HB ASN 97 2HB ASN 97 -5.716 -7.501 -11.616 744 1HD2 ASN 97 2HD2 ASN 97 -5.169 -9.448 -9.099 745 2HD2 ASN 97 1HD2 ASN 97 -4.421 -10.817 -9.852 746 H ASP 98 H ASP 98 -4.482 -4.239 -10.630 747 HA ASP 98 HA ASP 98 -5.127 -3.840 -13.442 748 1HB ASP 98 1HB ASP 98 -6.319 -2.918 -10.871 749 2HB ASP 98 2HB ASP 98 -6.196 -1.667 -12.093 750 H ILE 99 H ILE 99 -2.765 -3.310 -11.099 751 HA ILE 99 HA ILE 99 -2.027 -0.699 -12.223 752 HB ILE 99 HB ILE 99 -1.380 -1.946 -9.551 753 1HG1 ILE 99 1HG1 ILE 99 -3.648 -1.102 -9.647 754 2HG1 ILE 99 2HG1 ILE 99 -2.664 -0.060 -8.638 755 1HG2 ILE 99 1HG2 ILE 99 0.098 -0.019 -11.066 756 2HG2 ILE 99 2HG2 ILE 99 -0.618 0.784 -9.648 757 3HG2 ILE 99 3HG2 ILE 99 0.413 -0.651 -9.432 758 1HD1 ILE 99 1HD1 ILE 99 -2.291 1.232 -10.979 759 2HD1 ILE 99 2HD1 ILE 99 -3.866 0.484 -11.335 760 3HD1 ILE 99 3HD1 ILE 99 -3.691 1.564 -9.931 761 H LEU 100 H LEU 100 -0.600 -3.773 -10.905 762 HA LEU 100 HA LEU 100 1.718 -3.322 -12.599 763 1HB LEU 100 1HB LEU 100 1.084 -5.205 -10.340 764 2HB LEU 100 2HB LEU 100 2.482 -5.443 -11.368 765 HG LEU 100 HG LEU 100 1.922 -3.009 -9.652 766 1HD1 LEU 100 1HD1 LEU 100 2.836 -5.455 -8.832 767 2HD1 LEU 100 2HD1 LEU 100 4.354 -4.588 -9.169 768 3HD1 LEU 100 3HD1 LEU 100 3.173 -3.904 -8.026 769 1HD2 LEU 100 1HD2 LEU 100 3.799 -3.453 -11.874 770 2HD2 LEU 100 2HD2 LEU 100 3.204 -1.941 -11.148 771 3HD2 LEU 100 3HD2 LEU 100 4.548 -2.826 -10.386 772 H GLY 101 H GLY 101 -1.343 -4.905 -12.654 773 1HA GLY 101 1HA GLY 101 -0.636 -6.199 -15.160 774 2HA GLY 101 2HA GLY 101 -2.236 -5.977 -14.480 775 H ALA 102 H ALA 102 -0.809 -7.005 -11.788 776 HA ALA 102 HA ALA 102 -1.711 -9.691 -12.138 777 1HB ALA 102 1HB ALA 102 1.177 -9.012 -12.329 778 2HB ALA 102 2HB ALA 102 0.774 -10.345 -11.221 779 3HB ALA 102 3HB ALA 102 0.293 -10.434 -12.932 780 H ASP 103 H ASP 103 -0.569 -10.867 -9.889 781 HA ASP 103 HA ASP 103 -1.701 -9.152 -7.860 782 1HB ASP 103 1HB ASP 103 -2.132 -11.764 -8.334 783 2HB ASP 103 2HB ASP 103 -0.711 -11.955 -7.327 784 H CYS 104 H CYS 104 -0.361 -8.057 -6.522 785 HA CYS 104 HA CYS 104 2.468 -8.160 -6.694 786 1HB CYS 104 1HB CYS 104 0.499 -6.967 -4.725 787 2HB CYS 104 2HB CYS 104 2.258 -6.833 -4.480 788 H SER 105 H SER 105 4.010 -8.734 -4.855 789 HA SER 105 HA SER 105 3.391 -11.358 -4.021 790 1HB SER 105 1HB SER 105 5.714 -9.718 -2.969 791 2HB SER 105 2HB SER 105 5.639 -11.448 -3.237 792 HG SER 105 HG SER 105 5.846 -11.171 -5.442 793 HA PRO 106 HA PRO 106 1.489 -10.613 -0.129 794 1HB PRO 106 1HB PRO 106 2.446 -12.839 1.238 795 2HB PRO 106 2HB PRO 106 1.155 -12.894 -0.005 796 1HG PRO 106 1HG PRO 106 4.216 -13.671 -0.565 797 2HG PRO 106 2HG PRO 106 2.562 -14.325 -0.798 798 1HD PRO 106 1HD PRO 106 3.942 -12.696 -2.635 799 2HD PRO 106 2HD PRO 106 2.159 -12.836 -2.553 800 H SER 107 H SER 107 5.004 -10.902 -0.555 801 HA SER 107 HA SER 107 5.512 -10.172 2.156 802 1HB SER 107 1HB SER 107 7.906 -10.043 1.349 803 2HB SER 107 2HB SER 107 7.136 -11.594 1.080 804 HG SER 107 HG SER 107 6.695 -9.938 -1.079 805 H GLU 108 H GLU 108 5.252 -8.627 -1.056 806 HA GLU 108 HA GLU 108 6.381 -6.184 -0.183 807 1HB GLU 108 1HB GLU 108 4.623 -6.688 -2.621 808 2HB GLU 108 2HB GLU 108 5.722 -5.343 -2.385 809 1HG GLU 108 1HG GLU 108 6.784 -8.179 -2.241 810 2HG GLU 108 2HG GLU 108 6.488 -7.449 -3.806 811 H LYS 109 H LYS 109 3.359 -7.744 0.289 812 HA LYS 109 HA LYS 109 1.766 -5.362 0.336 813 1HB LYS 109 1HB LYS 109 1.118 -7.885 -0.132 814 2HB LYS 109 2HB LYS 109 0.928 -7.945 1.609 815 1HG LYS 109 1HG LYS 109 -1.198 -7.211 1.080 816 2HG LYS 109 2HG LYS 109 -0.417 -5.645 1.176 817 1HD LYS 109 1HD LYS 109 -1.609 -5.620 -0.899 818 2HD LYS 109 2HD LYS 109 0.071 -5.853 -1.340 819 1HE LYS 109 1HE LYS 109 -1.326 -7.421 -2.615 820 2HE LYS 109 2HE LYS 109 -0.312 -8.322 -1.505 821 1HZ LYS 109 1HZ LYS 109 -2.632 -7.684 -0.157 822 2HZ LYS 109 2HZ LYS 109 -3.091 -8.245 -1.621 823 3HZ LYS 109 3HZ LYS 109 -2.143 -9.160 -0.656 824 H ALA 110 H ALA 110 2.888 -7.727 2.864 825 HA ALA 110 HA ALA 110 2.082 -6.167 5.020 826 1HB ALA 110 1HB ALA 110 4.505 -7.851 5.356 827 2HB ALA 110 2HB ALA 110 2.957 -7.883 6.235 828 3HB ALA 110 3HB ALA 110 3.095 -8.676 4.648 829 H ASN 111 H ASN 111 4.801 -5.895 2.805 830 HA ASN 111 HA ASN 111 6.494 -4.487 4.515 831 1HB ASN 111 1HB ASN 111 7.092 -5.584 2.271 832 2HB ASN 111 2HB ASN 111 6.294 -4.246 1.468 833 1HD2 ASN 111 2HD2 ASN 111 7.005 -2.036 2.149 834 2HD2 ASN 111 1HD2 ASN 111 8.697 -1.761 2.393 835 H PHE 112 H PHE 112 3.880 -3.601 2.193 836 HA PHE 112 HA PHE 112 4.343 -0.798 2.427 837 1HB PHE 112 1HB PHE 112 3.286 -2.113 0.476 838 2HB PHE 112 2HB PHE 112 1.904 -2.435 1.504 839 HD1 PHE 112 HD1 PHE 112 0.064 -1.123 1.107 840 HD2 PHE 112 HD2 PHE 112 3.912 0.556 0.489 841 HE1 PHE 112 HE1 PHE 112 -0.994 1.027 0.359 842 HE2 PHE 112 HE2 PHE 112 2.854 2.705 -0.260 843 HZ PHE 112 HZ PHE 112 0.414 2.915 -0.316 844 H ILE 113 H ILE 113 1.944 -3.161 3.761 845 HA ILE 113 HA ILE 113 0.301 -1.366 5.036 846 HB ILE 113 HB ILE 113 1.046 -4.224 5.439 847 1HG1 ILE 113 1HG1 ILE 113 -1.774 -3.513 5.289 848 2HG1 ILE 113 2HG1 ILE 113 -0.871 -2.828 3.952 849 1HG2 ILE 113 1HG2 ILE 113 0.861 -3.381 7.725 850 2HG2 ILE 113 2HG2 ILE 113 -0.726 -2.670 7.345 851 3HG2 ILE 113 3HG2 ILE 113 -0.512 -4.436 7.313 852 1HD1 ILE 113 1HD1 ILE 113 0.230 -5.308 3.953 853 2HD1 ILE 113 2HD1 ILE 113 -1.362 -5.700 4.643 854 3HD1 ILE 113 3HD1 ILE 113 -1.252 -4.917 3.049 855 H ALA 114 H ALA 114 3.493 -2.680 6.011 856 HA ALA 114 HA ALA 114 3.405 -1.645 8.633 857 1HB ALA 114 1HB ALA 114 4.892 -3.464 8.034 858 2HB ALA 114 2HB ALA 114 5.883 -2.066 8.518 859 3HB ALA 114 3HB ALA 114 5.687 -2.465 6.794 860 H TYR 115 H TYR 115 5.180 -0.578 5.701 861 HA TYR 115 HA TYR 115 6.140 1.853 6.687 862 1HB TYR 115 1HB TYR 115 6.270 0.488 4.331 863 2HB TYR 115 2HB TYR 115 5.212 1.832 3.871 864 HD1 TYR 115 HD1 TYR 115 8.594 0.863 4.941 865 HD2 TYR 115 HD2 TYR 115 6.024 4.139 3.884 866 HE1 TYR 115 HE1 TYR 115 10.573 2.337 4.695 867 HE2 TYR 115 HE2 TYR 115 8.003 5.612 3.639 868 HH TYR 115 HH TYR 115 10.276 5.812 3.973 869 H LEU 116 H LEU 116 2.875 1.021 5.391 870 HA LEU 116 HA LEU 116 2.049 3.729 5.251 871 1HB LEU 116 1HB LEU 116 0.888 1.053 4.868 872 2HB LEU 116 2HB LEU 116 -0.244 2.258 5.450 873 HG LEU 116 HG LEU 116 1.398 2.370 2.909 874 1HD1 LEU 116 1HD1 LEU 116 -1.566 2.092 3.453 875 2HD1 LEU 116 2HD1 LEU 116 -0.880 2.476 1.856 876 3HD1 LEU 116 3HD1 LEU 116 -0.483 0.932 2.647 877 1HD2 LEU 116 1HD2 LEU 116 0.328 4.544 4.489 878 2HD2 LEU 116 2HD2 LEU 116 1.323 4.586 3.013 879 3HD2 LEU 116 3HD2 LEU 116 -0.449 4.476 2.889 880 H LEU 117 H LEU 117 1.860 1.113 7.716 881 HA LEU 117 HA LEU 117 0.500 2.949 9.515 882 1HB LEU 117 1HB LEU 117 -0.082 1.115 10.776 883 2HB LEU 117 2HB LEU 117 -0.150 0.512 9.132 884 HG LEU 117 HG LEU 117 2.399 -0.167 9.767 885 1HD1 LEU 117 1HD1 LEU 117 1.299 0.604 12.248 886 2HD1 LEU 117 2HD1 LEU 117 1.379 -1.175 12.261 887 3HD1 LEU 117 3HD1 LEU 117 2.847 -0.220 11.938 888 1HD2 LEU 117 1HD2 LEU 117 0.068 -1.466 9.136 889 2HD2 LEU 117 2HD2 LEU 117 1.650 -2.240 9.392 890 3HD2 LEU 117 3HD2 LEU 117 0.471 -2.163 10.723 891 H THR 118 H THR 118 3.278 3.453 8.561 892 HA THR 118 HA THR 118 4.650 3.219 11.160 893 HB THR 118 HB THR 118 5.601 3.043 8.272 894 HG1 THR 118 HG1 THR 118 6.127 1.637 10.794 895 1HG2 THR 118 1HG2 THR 118 7.045 4.157 10.627 896 2HG2 THR 118 2HG2 THR 118 7.866 2.777 9.858 897 3HG2 THR 118 3HG2 THR 118 7.477 4.227 8.901 898 H GLU 119 H GLU 119 4.703 5.277 8.166 899 HA GLU 119 HA GLU 119 5.697 7.469 9.533 900 1HB GLU 119 1HB GLU 119 4.052 7.404 6.964 901 2HB GLU 119 2HB GLU 119 5.042 8.748 7.499 902 1HG GLU 119 1HG GLU 119 6.790 6.542 7.625 903 2HG GLU 119 2HG GLU 119 5.852 6.245 6.174 904 H THR 120 H THR 120 4.705 8.535 11.191 905 HA THR 120 HA THR 120 1.777 8.809 11.044 906 HB THR 120 HB THR 120 1.874 8.898 13.492 907 HG1 THR 120 HG1 THR 120 4.090 8.863 14.422 908 1HG2 THR 120 1HG2 THR 120 2.705 6.622 12.078 909 2HG2 THR 120 2HG2 THR 120 4.013 6.865 13.260 910 3HG2 THR 120 3HG2 THR 120 2.334 6.671 13.818 911 H LYS 121 H LYS 121 2.865 10.505 9.331 912 HA LYS 121 HA LYS 121 2.127 12.989 10.339 913 1HB LYS 121 1HB LYS 121 4.266 14.168 10.422 914 2HB LYS 121 2HB LYS 121 4.185 12.910 11.639 915 1HG LYS 121 1HG LYS 121 6.207 12.243 10.813 916 2HG LYS 121 2HG LYS 121 5.275 11.509 9.523 917 1HD LYS 121 1HD LYS 121 6.412 12.840 8.076 918 2HD LYS 121 2HD LYS 121 5.492 14.189 8.712 919 1HE LYS 121 1HE LYS 121 8.024 13.231 10.102 920 2HE LYS 121 2HE LYS 121 8.104 14.345 8.751 921 1HZ LYS 121 1HZ LYS 121 6.198 15.403 10.332 922 2HZ LYS 121 2HZ LYS 121 7.273 14.827 11.419 923 3HZ LYS 121 3HZ LYS 121 7.756 15.888 10.276 924 HA PRO 122 HA PRO 122 1.959 13.460 5.979 925 1HB PRO 122 1HB PRO 122 1.093 16.049 5.883 926 2HB PRO 122 2HB PRO 122 0.078 14.727 6.548 927 1HG PRO 122 1HG PRO 122 1.749 16.833 8.147 928 2HG PRO 122 2HG PRO 122 0.110 16.111 8.245 929 1HD PRO 122 1HD PRO 122 2.491 15.240 9.604 930 2HD PRO 122 2HD PRO 122 0.950 14.338 9.477 931 H THR 123 H THR 123 2.868 14.974 4.190 932 HA THR 123 HA THR 123 4.609 15.974 3.235 933 HB THR 123 HB THR 123 4.873 17.195 6.032 934 HG1 THR 123 HG1 THR 123 2.992 17.979 5.100 935 1HG2 THR 123 1HG2 THR 123 6.283 17.738 3.404 936 2HG2 THR 123 2HG2 THR 123 5.836 19.114 4.441 937 3HG2 THR 123 3HG2 THR 123 6.924 17.849 5.060 938 H LYS 124 H LYS 124 5.080 13.404 3.604 939 HA LYS 124 HA LYS 124 6.641 11.861 3.851 940 1HB LYS 124 1HB LYS 124 7.997 14.254 2.933 941 2HB LYS 124 2HB LYS 124 9.080 13.266 3.892 942 1HG LYS 124 1HG LYS 124 7.339 11.912 1.823 943 2HG LYS 124 2HG LYS 124 8.748 12.803 1.280 944 1HD LYS 124 1HD LYS 124 9.104 10.878 3.576 945 2HD LYS 124 2HD LYS 124 8.893 10.204 1.972 946 1HE LYS 124 1HE LYS 124 11.075 10.627 1.526 947 2HE LYS 124 2HE LYS 124 10.758 12.345 1.671 948 1HZ LYS 124 1HZ LYS 124 10.869 11.471 4.228 949 2HZ LYS 124 2HZ LYS 124 12.052 10.616 3.496 950 3HZ LYS 124 3HZ LYS 124 12.064 12.248 3.431 No H/Q in entry = 950 Start of MODEL 13 1 H1 ASP 1 H1 ASP 1 -7.204 1.279 14.856 2 H2 ASP 1 H2 ASP 1 -8.614 1.821 14.178 3 H3 ASP 1 H3 ASP 1 -8.360 0.196 14.374 4 HA ASP 1 HA ASP 1 -8.104 0.688 12.178 5 1HB ASP 1 1HB ASP 1 -7.066 3.125 13.168 6 2HB ASP 1 2HB ASP 1 -5.690 2.355 12.404 7 H VAL 2 H VAL 2 -5.327 1.006 14.516 8 HA VAL 2 HA VAL 2 -3.502 -0.514 13.077 9 HB VAL 2 HB VAL 2 -3.836 0.056 16.023 10 1HG1 VAL 2 1HG1 VAL 2 -2.546 -2.007 15.788 11 2HG1 VAL 2 2HG1 VAL 2 -1.468 -1.220 14.610 12 3HG1 VAL 2 3HG1 VAL 2 -1.492 -0.667 16.302 13 1HG2 VAL 2 1HG2 VAL 2 -2.394 1.358 13.736 14 2HG2 VAL 2 2HG2 VAL 2 -3.336 2.089 15.058 15 3HG2 VAL 2 3HG2 VAL 2 -1.698 1.465 15.372 16 H THR 3 H THR 3 -5.887 -1.458 15.634 17 HA THR 3 HA THR 3 -5.285 -4.038 16.049 18 HB THR 3 HB THR 3 -7.953 -2.614 15.643 19 HG1 THR 3 HG1 THR 3 -6.195 -2.348 17.442 20 1HG2 THR 3 1HG2 THR 3 -8.071 -5.222 15.355 21 2HG2 THR 3 2HG2 THR 3 -7.589 -5.282 17.068 22 3HG2 THR 3 3HG2 THR 3 -9.107 -4.480 16.598 23 H ASN 4 H ASN 4 -6.842 -2.727 13.085 24 HA ASN 4 HA ASN 4 -7.149 -5.333 12.014 25 1HB ASN 4 1HB ASN 4 -7.123 -2.874 10.257 26 2HB ASN 4 2HB ASN 4 -8.207 -4.251 10.205 27 1HD2 ASN 4 2HD2 ASN 4 -8.766 -4.335 13.012 28 2HD2 ASN 4 1HD2 ASN 4 -9.800 -3.003 13.405 29 H ALA 5 H ALA 5 -5.029 -2.434 11.436 30 HA ALA 5 HA ALA 5 -3.539 -3.382 9.340 31 1HB ALA 5 1HB ALA 5 -2.463 -1.429 9.671 32 2HB ALA 5 2HB ALA 5 -1.952 -1.904 11.308 33 3HB ALA 5 3HB ALA 5 -3.555 -1.174 11.053 34 H GLU 6 H GLU 6 -3.027 -3.853 12.895 35 HA GLU 6 HA GLU 6 -0.659 -5.184 12.743 36 1HB GLU 6 1HB GLU 6 -1.638 -4.462 14.864 37 2HB GLU 6 2HB GLU 6 -2.990 -5.560 14.672 38 1HG GLU 6 1HG GLU 6 -1.151 -6.384 16.234 39 2HG GLU 6 2HG GLU 6 -1.593 -7.504 14.961 40 H LYS 7 H LYS 7 -4.022 -6.531 12.572 41 HA LYS 7 HA LYS 7 -3.355 -9.196 12.428 42 1HB LYS 7 1HB LYS 7 -5.626 -8.392 12.755 43 2HB LYS 7 2HB LYS 7 -5.654 -7.689 11.151 44 1HG LYS 7 1HG LYS 7 -5.136 -10.658 11.603 45 2HG LYS 7 2HG LYS 7 -6.756 -10.014 11.430 46 1HD LYS 7 1HD LYS 7 -5.173 -8.910 9.296 47 2HD LYS 7 2HD LYS 7 -4.831 -10.627 9.357 48 1HE LYS 7 1HE LYS 7 -7.718 -9.899 9.629 49 2HE LYS 7 2HE LYS 7 -7.004 -9.538 8.071 50 1HZ LYS 7 1HZ LYS 7 -6.907 -12.154 9.407 51 2HZ LYS 7 2HZ LYS 7 -7.872 -11.763 8.149 52 3HZ LYS 7 3HZ LYS 7 -6.252 -11.814 7.950 53 H LEU 8 H LEU 8 -3.772 -6.819 9.716 54 HA LEU 8 HA LEU 8 -3.223 -8.534 7.649 55 1HB LEU 8 1HB LEU 8 -2.666 -5.592 8.005 56 2HB LEU 8 2HB LEU 8 -2.405 -6.435 6.490 57 HG LEU 8 HG LEU 8 -4.982 -5.781 7.882 58 1HD1 LEU 8 1HD1 LEU 8 -3.772 -4.451 5.970 59 2HD1 LEU 8 2HD1 LEU 8 -4.505 -5.691 4.925 60 3HD1 LEU 8 3HD1 LEU 8 -5.538 -4.667 5.951 61 1HD2 LEU 8 1HD2 LEU 8 -4.457 -8.179 6.168 62 2HD2 LEU 8 2HD2 LEU 8 -5.513 -7.994 7.589 63 3HD2 LEU 8 3HD2 LEU 8 -6.009 -7.321 6.017 64 H VAL 9 H VAL 9 -0.887 -6.508 9.551 65 HA VAL 9 HA VAL 9 1.383 -7.428 8.224 66 HB VAL 9 HB VAL 9 1.011 -6.397 11.043 67 1HG1 VAL 9 1HG1 VAL 9 3.195 -7.657 10.464 68 2HG1 VAL 9 2HG1 VAL 9 3.568 -6.245 9.446 69 3HG1 VAL 9 3HG1 VAL 9 3.321 -6.039 11.196 70 1HG2 VAL 9 1HG2 VAL 9 0.214 -4.932 9.132 71 2HG2 VAL 9 2HG2 VAL 9 1.459 -4.219 10.186 72 3HG2 VAL 9 3HG2 VAL 9 1.908 -4.862 8.589 73 H TYR 10 H TYR 10 -0.522 -8.688 10.913 74 HA TYR 10 HA TYR 10 1.383 -10.801 11.542 75 1HB TYR 10 1HB TYR 10 -0.466 -9.550 13.001 76 2HB TYR 10 2HB TYR 10 -1.486 -10.866 12.396 77 HD1 TYR 10 HD1 TYR 10 -1.081 -13.180 13.051 78 HD2 TYR 10 HD2 TYR 10 1.386 -9.987 14.525 79 HE1 TYR 10 HE1 TYR 10 -0.170 -14.689 14.796 80 HE2 TYR 10 HE2 TYR 10 2.297 -11.496 16.269 81 HH TYR 10 HH TYR 10 2.204 -13.571 17.223 82 H LYS 11 H LYS 11 -0.381 -10.343 8.805 83 HA LYS 11 HA LYS 11 -1.018 -13.208 8.641 84 1HB LYS 11 1HB LYS 11 -2.611 -10.816 7.949 85 2HB LYS 11 2HB LYS 11 -2.579 -12.055 6.711 86 1HG LYS 11 1HG LYS 11 -3.244 -12.580 9.647 87 2HG LYS 11 2HG LYS 11 -4.445 -12.347 8.392 88 1HD LYS 11 1HD LYS 11 -3.106 -14.291 7.153 89 2HD LYS 11 2HD LYS 11 -2.520 -14.653 8.765 90 1HE LYS 11 1HE LYS 11 -5.429 -14.192 8.750 91 2HE LYS 11 2HE LYS 11 -4.975 -15.480 7.652 92 1HZ LYS 11 1HZ LYS 11 -3.740 -16.487 9.470 93 2HZ LYS 11 2HZ LYS 11 -4.224 -15.305 10.488 94 3HZ LYS 11 3HZ LYS 11 -5.322 -16.328 9.843 95 H TYR 12 H TYR 12 -0.711 -10.476 6.353 96 HA TYR 12 HA TYR 12 0.392 -11.830 4.222 97 1HB TYR 12 1HB TYR 12 0.940 -9.029 5.248 98 2HB TYR 12 2HB TYR 12 1.495 -9.618 3.672 99 HD1 TYR 12 HD1 TYR 12 -0.235 -10.390 1.978 100 HD2 TYR 12 HD2 TYR 12 -1.264 -8.235 5.549 101 HE1 TYR 12 HE1 TYR 12 -2.423 -9.782 0.981 102 HE2 TYR 12 HE2 TYR 12 -3.452 -7.627 4.552 103 HH TYR 12 HH TYR 12 -4.244 -7.532 1.623 104 H THR 13 H THR 13 1.935 -11.072 7.328 105 HA THR 13 HA THR 13 4.597 -11.405 6.316 106 HB THR 13 HB THR 13 3.379 -11.323 9.126 107 HG1 THR 13 HG1 THR 13 4.977 -9.444 7.546 108 1HG2 THR 13 1HG2 THR 13 6.190 -11.645 8.121 109 2HG2 THR 13 2HG2 THR 13 5.943 -10.391 9.361 110 3HG2 THR 13 3HG2 THR 13 5.500 -12.081 9.703 111 H ASN 14 H ASN 14 2.365 -13.432 8.330 112 HA ASN 14 HA ASN 14 4.049 -15.553 8.586 113 1HB ASN 14 1HB ASN 14 1.912 -15.408 9.801 114 2HB ASN 14 2HB ASN 14 1.002 -15.468 8.305 115 1HD2 ASN 14 2HD2 ASN 14 1.967 -17.206 10.891 116 2HD2 ASN 14 1HD2 ASN 14 1.906 -18.822 10.270 117 H ILE 15 H ILE 15 1.449 -14.953 6.100 118 HA ILE 15 HA ILE 15 1.757 -17.229 4.614 119 HB ILE 15 HB ILE 15 0.840 -14.447 4.046 120 1HG1 ILE 15 1HG1 ILE 15 -0.819 -16.813 3.424 121 2HG1 ILE 15 2HG1 ILE 15 -0.369 -16.657 5.110 122 1HG2 ILE 15 1HG2 ILE 15 1.417 -16.556 1.974 123 2HG2 ILE 15 2HG2 ILE 15 0.131 -15.348 1.744 124 3HG2 ILE 15 3HG2 ILE 15 1.818 -14.822 1.961 125 1HD1 ILE 15 1HD1 ILE 15 -1.325 -14.178 3.691 126 2HD1 ILE 15 2HD1 ILE 15 -2.528 -15.415 4.128 127 3HD1 ILE 15 3HD1 ILE 15 -1.530 -14.659 5.393 128 H ALA 16 H ALA 16 3.556 -14.099 4.346 129 HA ALA 16 HA ALA 16 5.108 -14.859 2.156 130 1HB ALA 16 1HB ALA 16 5.786 -12.950 4.430 131 2HB ALA 16 2HB ALA 16 4.784 -12.539 3.017 132 3HB ALA 16 3HB ALA 16 6.501 -12.957 2.800 133 H HIS 17 H HIS 17 5.620 -15.174 5.722 134 HA HIS 17 HA HIS 17 8.196 -16.243 5.491 135 1HB HIS 17 1HB HIS 17 7.161 -15.205 7.527 136 2HB HIS 17 2HB HIS 17 6.188 -16.649 7.724 137 HD1 HIS 17 HD1 HIS 17 9.919 -15.782 7.431 138 HD2 HIS 17 HD2 HIS 17 7.365 -18.514 9.330 139 HE1 HIS 17 HE1 HIS 17 11.397 -17.208 8.945 140 H SER 18 H SER 18 4.940 -17.606 5.175 141 HA SER 18 HA SER 18 5.748 -20.273 5.540 142 1HB SER 18 1HB SER 18 3.416 -19.605 5.850 143 2HB SER 18 2HB SER 18 3.307 -19.037 4.196 144 HG SER 18 HG SER 18 2.656 -21.437 5.032 145 H ALA 19 H ALA 19 6.102 -17.960 2.978 146 HA ALA 19 HA ALA 19 6.452 -20.086 0.993 147 1HB ALA 19 1HB ALA 19 4.933 -18.064 0.588 148 2HB ALA 19 2HB ALA 19 6.167 -18.383 -0.654 149 3HB ALA 19 3HB ALA 19 6.418 -17.084 0.536 150 H ASN 20 H ASN 20 8.112 -17.848 3.106 151 HA ASN 20 HA ASN 20 10.594 -18.796 1.982 152 1HB ASN 20 1HB ASN 20 10.182 -16.570 0.900 153 2HB ASN 20 2HB ASN 20 9.986 -15.833 2.477 154 1HD2 ASN 20 2HD2 ASN 20 12.276 -18.232 1.181 155 2HD2 ASN 20 1HD2 ASN 20 13.733 -17.376 1.565 156 HA PRO 21 HA PRO 21 11.028 -18.928 6.462 157 1HB PRO 21 1HB PRO 21 13.107 -20.677 6.531 158 2HB PRO 21 2HB PRO 21 11.467 -21.190 6.013 159 1HG PRO 21 1HG PRO 21 13.817 -20.358 4.419 160 2HG PRO 21 2HG PRO 21 12.824 -21.803 4.040 161 1HD PRO 21 1HD PRO 21 12.545 -19.393 2.719 162 2HD PRO 21 2HD PRO 21 11.152 -20.474 3.027 163 H MET 22 H MET 22 12.185 -16.690 4.747 164 HA MET 22 HA MET 22 14.457 -16.223 6.490 165 1HB MET 22 1HB MET 22 14.424 -15.688 3.467 166 2HB MET 22 2HB MET 22 15.755 -15.319 4.545 167 1HG MET 22 1HG MET 22 15.204 -18.054 5.028 168 2HG MET 22 2HG MET 22 15.038 -17.879 3.292 169 1HE MET 22 1HE MET 22 16.833 -17.408 6.359 170 2HE MET 22 2HE MET 22 18.353 -18.237 5.947 171 3HE MET 22 3HE MET 22 18.284 -16.458 5.959 172 H TYR 23 H TYR 23 11.686 -15.351 6.497 173 HA TYR 23 HA TYR 23 12.167 -12.445 6.496 174 1HB TYR 23 1HB TYR 23 11.262 -12.961 4.254 175 2HB TYR 23 2HB TYR 23 9.869 -13.757 5.005 176 HD1 TYR 23 HD1 TYR 23 7.936 -12.534 5.452 177 HD2 TYR 23 HD2 TYR 23 11.660 -10.462 4.907 178 HE1 TYR 23 HE1 TYR 23 6.741 -10.363 5.538 179 HE2 TYR 23 HE2 TYR 23 10.464 -8.291 4.993 180 HH TYR 23 HH TYR 23 8.068 -7.424 4.572 181 H GLU 24 H GLU 24 11.688 -11.919 8.614 182 HA GLU 24 HA GLU 24 9.608 -13.480 9.877 183 1HB GLU 24 1HB GLU 24 11.787 -11.634 10.897 184 2HB GLU 24 2HB GLU 24 10.449 -12.084 11.936 185 1HG GLU 24 1HG GLU 24 11.690 -14.372 10.491 186 2HG GLU 24 2HG GLU 24 12.767 -13.565 11.613 187 H ALA 25 H ALA 25 10.539 -10.039 9.224 188 HA ALA 25 HA ALA 25 7.786 -9.337 8.918 189 1HB ALA 25 1HB ALA 25 9.081 -9.031 11.511 190 2HB ALA 25 2HB ALA 25 8.596 -7.453 10.846 191 3HB ALA 25 3HB ALA 25 7.386 -8.741 11.051 192 HA PRO 26 HA PRO 26 9.465 -6.067 6.533 193 1HB PRO 26 1HB PRO 26 7.883 -3.978 7.950 194 2HB PRO 26 2HB PRO 26 7.724 -4.626 6.285 195 1HG PRO 26 1HG PRO 26 5.643 -5.507 8.158 196 2HG PRO 26 2HG PRO 26 6.544 -6.281 6.813 197 1HD PRO 26 1HD PRO 26 7.347 -6.177 9.793 198 2HD PRO 26 2HD PRO 26 6.817 -7.629 8.892 199 H SER 27 H SER 27 10.354 -3.566 6.773 200 HA SER 27 HA SER 27 11.704 -3.406 9.338 201 1HB SER 27 1HB SER 27 13.002 -4.317 7.054 202 2HB SER 27 2HB SER 27 13.386 -2.608 7.032 203 HG SER 27 HG SER 27 14.938 -3.898 8.254 204 H ILE 28 H ILE 28 9.383 -2.018 7.977 205 HA ILE 28 HA ILE 28 8.738 0.025 7.278 206 HB ILE 28 HB ILE 28 9.087 1.700 9.067 207 1HG1 ILE 28 1HG1 ILE 28 10.258 0.676 11.170 208 2HG1 ILE 28 2HG1 ILE 28 11.096 -0.333 10.008 209 1HG2 ILE 28 1HG2 ILE 28 7.326 -0.082 9.126 210 2HG2 ILE 28 2HG2 ILE 28 8.412 -1.040 10.162 211 3HG2 ILE 28 3HG2 ILE 28 7.814 0.541 10.721 212 1HD1 ILE 28 1HD1 ILE 28 10.959 2.618 9.430 213 2HD1 ILE 28 2HD1 ILE 28 12.052 2.068 10.723 214 3HD1 ILE 28 3HD1 ILE 28 12.252 1.451 9.066 215 H THR 29 H THR 29 11.106 -0.810 5.868 216 HA THR 29 HA THR 29 12.326 1.836 5.450 217 HB THR 29 HB THR 29 13.654 -0.923 5.528 218 HG1 THR 29 HG1 THR 29 13.202 0.285 7.558 219 1HG2 THR 29 1HG2 THR 29 14.640 0.590 3.740 220 2HG2 THR 29 2HG2 THR 29 14.889 1.829 4.993 221 3HG2 THR 29 3HG2 THR 29 15.759 0.280 5.089 222 H ASP 30 H ASP 30 11.972 -1.454 3.953 223 HA ASP 30 HA ASP 30 12.338 -0.577 1.389 224 1HB ASP 30 1HB ASP 30 11.352 -2.964 2.751 225 2HB ASP 30 2HB ASP 30 10.403 -2.678 1.306 226 H GLY 31 H GLY 31 9.726 -0.039 3.613 227 1HA GLY 31 1HA GLY 31 7.631 0.770 3.424 228 2HA GLY 31 2HA GLY 31 7.540 0.103 1.806 229 H LYS 32 H LYS 32 9.122 1.345 0.151 230 HA LYS 32 HA LYS 32 8.079 3.889 -0.144 231 1HB LYS 32 1HB LYS 32 10.182 5.238 0.270 232 2HB LYS 32 2HB LYS 32 9.302 4.717 1.692 233 1HG LYS 32 1HG LYS 32 11.185 3.717 2.456 234 2HG LYS 32 2HG LYS 32 11.108 2.596 1.111 235 1HD LYS 32 1HD LYS 32 12.411 4.161 -0.308 236 2HD LYS 32 2HD LYS 32 12.427 5.349 0.980 237 1HE LYS 32 1HE LYS 32 13.399 2.746 1.936 238 2HE LYS 32 2HE LYS 32 14.324 3.295 0.553 239 1HZ LYS 32 1HZ LYS 32 13.802 5.366 2.430 240 2HZ LYS 32 2HZ LYS 32 14.659 4.135 3.076 241 3HZ LYS 32 3HZ LYS 32 15.216 4.910 1.752 242 H ILE 33 H ILE 33 11.040 1.861 -0.599 243 HA ILE 33 HA ILE 33 11.666 2.894 -3.122 244 HB ILE 33 HB ILE 33 12.296 0.251 -1.810 245 1HG1 ILE 33 1HG1 ILE 33 14.004 2.737 -2.107 246 2HG1 ILE 33 2HG1 ILE 33 13.080 2.348 -0.670 247 1HG2 ILE 33 1HG2 ILE 33 12.833 1.219 -4.521 248 2HG2 ILE 33 2HG2 ILE 33 14.300 0.741 -3.634 249 3HG2 ILE 33 3HG2 ILE 33 12.964 -0.418 -3.832 250 1HD1 ILE 33 1HD1 ILE 33 14.747 0.097 -1.648 251 2HD1 ILE 33 2HD1 ILE 33 15.676 1.528 -1.140 252 3HD1 ILE 33 3HD1 ILE 33 14.559 0.741 0.001 253 H PHE 34 H PHE 34 9.547 0.198 -2.034 254 HA PHE 34 HA PHE 34 9.004 -0.636 -4.704 255 1HB PHE 34 1HB PHE 34 8.792 -2.277 -2.952 256 2HB PHE 34 2HB PHE 34 8.006 -1.146 -1.869 257 HD1 PHE 34 HD1 PHE 34 5.754 -1.439 -1.497 258 HD2 PHE 34 HD2 PHE 34 7.382 -2.737 -5.195 259 HE1 PHE 34 HE1 PHE 34 3.516 -2.361 -2.159 260 HE2 PHE 34 HE2 PHE 34 5.143 -3.659 -5.857 261 HZ PHE 34 HZ PHE 34 3.237 -3.459 -4.331 262 H PHE 35 H PHE 35 8.031 2.051 -2.841 263 HA PHE 35 HA PHE 35 5.490 2.208 -4.300 264 1HB PHE 35 1HB PHE 35 5.357 2.253 -1.799 265 2HB PHE 35 2HB PHE 35 6.584 3.503 -1.732 266 HD1 PHE 35 HD1 PHE 35 3.177 2.868 -3.105 267 HD2 PHE 35 HD2 PHE 35 5.936 5.727 -1.616 268 HE1 PHE 35 HE1 PHE 35 1.388 4.628 -3.169 269 HE2 PHE 35 HE2 PHE 35 4.148 7.487 -1.680 270 HZ PHE 35 HZ PHE 35 1.895 6.916 -2.456 271 H ASN 36 H ASN 36 8.568 3.038 -4.808 272 HA ASN 36 HA ASN 36 7.767 5.513 -6.059 273 1HB ASN 36 1HB ASN 36 9.968 5.193 -3.996 274 2HB ASN 36 2HB ASN 36 10.206 6.343 -5.297 275 1HD2 ASN 36 2HD2 ASN 36 7.825 5.318 -2.868 276 2HD2 ASN 36 1HD2 ASN 36 7.191 6.887 -2.498 277 H ARG 37 H ARG 37 8.406 2.655 -6.844 278 HA ARG 37 HA ARG 37 10.935 3.038 -8.199 279 1HB ARG 37 1HB ARG 37 10.607 0.930 -6.891 280 2HB ARG 37 2HB ARG 37 9.206 0.534 -7.866 281 1HG ARG 37 1HG ARG 37 10.786 -0.673 -9.048 282 2HG ARG 37 2HG ARG 37 10.957 0.856 -9.887 283 1HD ARG 37 1HD ARG 37 12.668 -0.004 -7.502 284 2HD ARG 37 2HD ARG 37 13.165 -0.138 -9.177 285 HE ARG 37 HE ARG 37 13.052 2.312 -7.583 286 1HH1 ARG 37 1HH1 ARG 37 13.783 4.251 -8.546 287 2HH1 ARG 37 2HH1 ARG 37 14.001 4.337 -10.262 288 1HH2 ARG 37 1HH2 ARG 37 12.993 1.014 -10.854 289 2HH2 ARG 37 2HH2 ARG 37 13.548 2.483 -11.584 290 H LYS 38 H LYS 38 10.368 4.353 -9.995 291 HA LYS 38 HA LYS 38 8.079 4.275 -11.455 292 1HB LYS 38 1HB LYS 38 9.750 6.001 -11.718 293 2HB LYS 38 2HB LYS 38 10.917 4.854 -12.346 294 1HG LYS 38 1HG LYS 38 10.140 5.505 -14.396 295 2HG LYS 38 2HG LYS 38 8.817 4.403 -14.065 296 1HD LYS 38 1HD LYS 38 7.831 6.516 -14.715 297 2HD LYS 38 2HD LYS 38 7.553 6.329 -12.995 298 1HE LYS 38 1HE LYS 38 8.351 8.635 -13.620 299 2HE LYS 38 2HE LYS 38 9.392 7.843 -12.453 300 1HZ LYS 38 1HZ LYS 38 10.074 7.362 -15.196 301 2HZ LYS 38 2HZ LYS 38 10.250 8.912 -14.714 302 3HZ LYS 38 3HZ LYS 38 11.040 7.718 -13.929 303 H PHE 39 H PHE 39 7.160 2.247 -11.801 304 HA PHE 39 HA PHE 39 8.782 0.400 -13.396 305 1HB PHE 39 1HB PHE 39 7.079 -1.263 -12.550 306 2HB PHE 39 2HB PHE 39 7.864 -0.433 -11.220 307 HD1 PHE 39 HD1 PHE 39 4.789 -0.406 -13.301 308 HD2 PHE 39 HD2 PHE 39 6.596 0.739 -9.637 309 HE1 PHE 39 HE1 PHE 39 2.547 0.291 -12.413 310 HE2 PHE 39 HE2 PHE 39 4.354 1.436 -8.748 311 HZ PHE 39 HZ PHE 39 2.356 1.204 -10.148 312 H LYS 40 H LYS 40 7.692 -0.768 -15.176 313 HA LYS 40 HA LYS 40 5.668 0.957 -16.409 314 1HB LYS 40 1HB LYS 40 7.928 -0.692 -17.476 315 2HB LYS 40 2HB LYS 40 6.505 -0.489 -18.477 316 1HG LYS 40 1HG LYS 40 6.713 2.056 -17.971 317 2HG LYS 40 2HG LYS 40 8.310 1.688 -17.349 318 1HD LYS 40 1HD LYS 40 8.307 0.341 -19.792 319 2HD LYS 40 2HD LYS 40 7.354 1.767 -20.155 320 1HE LYS 40 1HE LYS 40 9.142 3.206 -19.889 321 2HE LYS 40 2HE LYS 40 9.825 2.288 -18.562 322 1HZ LYS 40 1HZ LYS 40 9.854 1.027 -21.160 323 2HZ LYS 40 2HZ LYS 40 10.871 2.287 -20.947 324 3HZ LYS 40 3HZ LYS 40 10.970 0.983 -19.969 325 H THR 41 H THR 41 3.699 0.118 -17.097 326 HA THR 41 HA THR 41 2.989 -2.412 -15.885 327 HB THR 41 HB THR 41 0.708 -1.668 -16.437 328 HG1 THR 41 HG1 THR 41 1.940 0.632 -17.711 329 1HG2 THR 41 1HG2 THR 41 2.464 0.724 -15.668 330 2HG2 THR 41 2HG2 THR 41 0.691 0.675 -15.524 331 3HG2 THR 41 3HG2 THR 41 1.694 -0.408 -14.531 332 HA PRO 42 HA PRO 42 3.280 -5.092 -19.266 333 1HB PRO 42 1HB PRO 42 0.931 -6.543 -18.983 334 2HB PRO 42 2HB PRO 42 2.352 -6.712 -17.901 335 1HG PRO 42 1HG PRO 42 -0.295 -5.020 -16.966 336 2HG PRO 42 2HG PRO 42 0.877 -6.335 -16.629 337 1HD PRO 42 1HD PRO 42 1.195 -3.510 -16.131 338 2HD PRO 42 2HD PRO 42 2.465 -4.766 -16.016 339 H SER 43 H SER 43 0.879 -2.612 -19.028 340 HA SER 43 HA SER 43 -0.135 -3.314 -21.660 341 1HB SER 43 1HB SER 43 -2.087 -2.191 -21.134 342 2HB SER 43 2HB SER 43 -1.592 -2.660 -19.520 343 HG SER 43 HG SER 43 -2.054 -0.470 -19.393 344 H GLY 44 H GLY 44 2.591 -2.299 -21.264 345 1HA GLY 44 1HA GLY 44 2.836 -0.463 -23.272 346 2HA GLY 44 2HA GLY 44 3.994 -0.687 -21.976 347 H LYS 45 H LYS 45 3.668 0.549 -19.915 348 HA LYS 45 HA LYS 45 3.184 3.241 -20.450 349 1HB LYS 45 1HB LYS 45 0.800 2.371 -20.494 350 2HB LYS 45 2HB LYS 45 0.972 2.012 -18.788 351 1HG LYS 45 1HG LYS 45 1.235 4.306 -18.197 352 2HG LYS 45 2HG LYS 45 1.663 4.778 -19.830 353 1HD LYS 45 1HD LYS 45 -0.549 5.504 -19.779 354 2HD LYS 45 2HD LYS 45 -0.784 3.887 -20.413 355 1HE LYS 45 1HE LYS 45 -1.496 3.028 -18.292 356 2HE LYS 45 2HE LYS 45 -0.831 4.391 -17.415 357 1HZ LYS 45 1HZ LYS 45 -2.645 5.372 -19.261 358 2HZ LYS 45 2HZ LYS 45 -3.372 4.130 -18.490 359 3HZ LYS 45 3HZ LYS 45 -2.766 5.380 -17.632 360 H GLU 46 H GLU 46 4.228 4.455 -18.904 361 HA GLU 46 HA GLU 46 5.375 2.897 -16.761 362 1HB GLU 46 1HB GLU 46 6.579 4.599 -18.445 363 2HB GLU 46 2HB GLU 46 6.084 5.784 -17.252 364 1HG GLU 46 1HG GLU 46 7.355 4.749 -15.512 365 2HG GLU 46 2HG GLU 46 7.494 3.236 -16.386 366 H ALA 47 H ALA 47 4.631 3.013 -14.682 367 HA ALA 47 HA ALA 47 3.225 5.453 -13.890 368 1HB ALA 47 1HB ALA 47 2.225 2.598 -13.537 369 2HB ALA 47 2HB ALA 47 1.494 4.037 -12.788 370 3HB ALA 47 3HB ALA 47 1.494 3.859 -14.559 371 H ALA 48 H ALA 48 2.592 4.706 -11.277 372 HA ALA 48 HA ALA 48 4.624 3.322 -9.949 373 1HB ALA 48 1HB ALA 48 5.008 6.313 -10.276 374 2HB ALA 48 2HB ALA 48 6.184 5.006 -10.551 375 3HB ALA 48 3HB ALA 48 5.686 5.421 -8.894 376 H CYS 49 H CYS 49 4.300 3.399 -7.602 377 HA CYS 49 HA CYS 49 1.578 3.777 -6.979 378 1HB CYS 49 1HB CYS 49 3.842 3.354 -5.027 379 2HB CYS 49 2HB CYS 49 2.141 3.010 -4.784 380 H ALA 50 H ALA 50 4.173 5.930 -7.364 381 HA ALA 50 HA ALA 50 3.095 7.784 -5.359 382 1HB ALA 50 1HB ALA 50 5.312 8.979 -5.817 383 2HB ALA 50 2HB ALA 50 5.792 7.529 -6.732 384 3HB ALA 50 3HB ALA 50 5.424 7.404 -4.995 385 H SER 51 H SER 51 2.488 6.908 -8.436 386 HA SER 51 HA SER 51 2.682 9.508 -9.625 387 1HB SER 51 1HB SER 51 2.396 6.780 -10.543 388 2HB SER 51 2HB SER 51 1.086 7.729 -11.215 389 HG SER 51 HG SER 51 3.095 9.324 -11.595 390 H CYS 52 H CYS 52 0.432 7.624 -7.746 391 HA CYS 52 HA CYS 52 -1.681 9.531 -8.447 392 1HB CYS 52 1HB CYS 52 -1.890 6.574 -7.850 393 2HB CYS 52 2HB CYS 52 -3.261 7.650 -7.671 394 H HIS 53 H HIS 53 -0.167 7.413 -6.040 395 HA HIS 53 HA HIS 53 -1.441 8.898 -3.801 396 1HB HIS 53 1HB HIS 53 0.378 6.429 -3.751 397 2HB HIS 53 2HB HIS 53 -0.637 7.088 -2.397 398 HD1 HIS 53 HD1 HIS 53 -3.316 7.238 -3.343 399 HD2 HIS 53 HD2 HIS 53 -0.804 4.202 -4.735 400 HE1 HIS 53 HE1 HIS 53 -4.862 5.353 -4.179 401 H THR 54 H THR 54 0.845 9.848 -5.751 402 HA THR 54 HA THR 54 2.773 10.967 -5.622 403 HB THR 54 HB THR 54 2.833 12.588 -3.694 404 HG1 THR 54 HG1 THR 54 2.072 11.360 -1.954 405 1HG2 THR 54 1HG2 THR 54 0.468 12.106 -5.395 406 2HG2 THR 54 2HG2 THR 54 0.036 12.866 -3.845 407 3HG2 THR 54 3HG2 THR 54 1.214 13.651 -4.923 408 H ASN 55 H ASN 55 4.872 11.379 -4.321 409 HA ASN 55 HA ASN 55 6.064 8.981 -3.934 410 1HB ASN 55 1HB ASN 55 7.868 10.298 -2.743 411 2HB ASN 55 2HB ASN 55 7.355 11.049 -4.241 412 1HD2 ASN 55 2HD2 ASN 55 6.350 12.986 -4.247 413 2HD2 ASN 55 1HD2 ASN 55 6.091 13.973 -2.847 414 H ASN 56 H ASN 56 4.040 10.908 -1.769 415 HA ASN 56 HA ASN 56 4.568 8.956 0.330 416 1HB ASN 56 1HB ASN 56 5.285 11.570 0.581 417 2HB ASN 56 2HB ASN 56 3.607 11.723 1.062 418 1HD2 ASN 56 2HD2 ASN 56 3.953 12.152 3.174 419 2HD2 ASN 56 1HD2 ASN 56 4.601 11.027 4.321 420 HA PRO 57 HA PRO 57 0.164 8.398 -0.273 421 1HB PRO 57 1HB PRO 57 -0.212 6.510 1.656 422 2HB PRO 57 2HB PRO 57 0.722 6.165 0.164 423 1HG PRO 57 1HG PRO 57 1.958 6.856 2.885 424 2HG PRO 57 2HG PRO 57 2.226 5.551 1.683 425 1HD PRO 57 1HD PRO 57 3.681 7.930 1.768 426 2HD PRO 57 2HD PRO 57 3.391 7.011 0.259 427 H ALA 58 H ALA 58 1.693 9.036 2.963 428 HA ALA 58 HA ALA 58 -0.680 9.688 4.275 429 1HB ALA 58 1HB ALA 58 1.686 11.210 5.118 430 2HB ALA 58 2HB ALA 58 2.032 9.481 4.877 431 3HB ALA 58 3HB ALA 58 0.746 9.983 6.001 432 H ASN 59 H ASN 59 0.939 11.224 1.658 433 HA ASN 59 HA ASN 59 -0.008 13.837 2.402 434 1HB ASN 59 1HB ASN 59 2.230 13.140 1.091 435 2HB ASN 59 2HB ASN 59 1.178 13.170 -0.310 436 1HD2 ASN 59 2HD2 ASN 59 3.337 14.870 0.007 437 2HD2 ASN 59 1HD2 ASN 59 2.793 16.507 0.168 438 H VAL 60 H VAL 60 -1.071 15.066 0.321 439 HA VAL 60 HA VAL 60 -3.454 13.609 -0.263 440 HB VAL 60 HB VAL 60 -2.421 16.320 -1.111 441 1HG1 VAL 60 1HG1 VAL 60 -4.779 14.787 -1.968 442 2HG1 VAL 60 2HG1 VAL 60 -5.165 16.410 -1.346 443 3HG1 VAL 60 3HG1 VAL 60 -4.016 16.223 -2.692 444 1HG2 VAL 60 1HG2 VAL 60 -4.003 15.306 1.210 445 2HG2 VAL 60 2HG2 VAL 60 -2.807 16.621 1.123 446 3HG2 VAL 60 3HG2 VAL 60 -4.461 16.881 0.520 447 H GLY 61 H GLY 61 -3.916 12.385 -2.030 448 1HA GLY 61 1HA GLY 61 -3.069 11.035 -3.751 449 2HA GLY 61 2HA GLY 61 -1.855 12.244 -4.119 450 H LYS 62 H LYS 62 -3.080 11.416 -6.315 451 HA LYS 62 HA LYS 62 -5.536 12.761 -6.833 452 1HB LYS 62 1HB LYS 62 -4.214 14.747 -6.903 453 2HB LYS 62 2HB LYS 62 -2.958 13.974 -7.848 454 1HG LYS 62 1HG LYS 62 -4.605 13.654 -9.730 455 2HG LYS 62 2HG LYS 62 -5.820 14.494 -8.786 456 1HD LYS 62 1HD LYS 62 -3.135 15.708 -9.597 457 2HD LYS 62 2HD LYS 62 -4.636 15.971 -10.463 458 1HE LYS 62 1HE LYS 62 -5.175 16.506 -7.692 459 2HE LYS 62 2HE LYS 62 -3.666 17.309 -8.078 460 1HZ LYS 62 1HZ LYS 62 -6.124 17.562 -9.669 461 2HZ LYS 62 2HZ LYS 62 -5.617 18.653 -8.564 462 3HZ LYS 62 3HZ LYS 62 -4.732 18.381 -9.909 463 H ASN 63 H ASN 63 -6.562 11.805 -8.565 464 HA ASN 63 HA ASN 63 -5.182 9.555 -9.658 465 1HB ASN 63 1HB ASN 63 -8.024 10.644 -9.864 466 2HB ASN 63 2HB ASN 63 -7.502 9.319 -10.885 467 1HD2 ASN 63 2HD2 ASN 63 -9.555 9.036 -9.101 468 2HD2 ASN 63 1HD2 ASN 63 -9.115 7.961 -7.817 469 H ILE 64 H ILE 64 -4.246 9.526 -11.724 470 HA ILE 64 HA ILE 64 -4.351 11.967 -13.252 471 HB ILE 64 HB ILE 64 -2.565 11.064 -14.500 472 1HG1 ILE 64 1HG1 ILE 64 -3.101 8.366 -13.222 473 2HG1 ILE 64 2HG1 ILE 64 -3.553 8.810 -14.856 474 1HG2 ILE 64 1HG2 ILE 64 -2.526 11.009 -11.594 475 2HG2 ILE 64 2HG2 ILE 64 -1.310 9.917 -12.297 476 3HG2 ILE 64 3HG2 ILE 64 -1.325 11.639 -12.746 477 1HD1 ILE 64 1HD1 ILE 64 -0.708 9.370 -14.189 478 2HD1 ILE 64 2HD1 ILE 64 -1.155 7.647 -14.175 479 3HD1 ILE 64 3HD1 ILE 64 -1.410 8.621 -15.643 480 H VAL 65 H VAL 65 -6.545 9.610 -12.867 481 HA VAL 65 HA VAL 65 -7.019 9.036 -15.663 482 HB VAL 65 HB VAL 65 -8.404 8.264 -13.092 483 1HG1 VAL 65 1HG1 VAL 65 -9.962 8.482 -15.083 484 2HG1 VAL 65 2HG1 VAL 65 -9.028 7.175 -15.850 485 3HG1 VAL 65 3HG1 VAL 65 -9.893 6.873 -14.323 486 1HG2 VAL 65 1HG2 VAL 65 -6.686 6.698 -15.046 487 2HG2 VAL 65 2HG2 VAL 65 -6.245 7.191 -13.394 488 3HG2 VAL 65 3HG2 VAL 65 -7.546 6.004 -13.650 489 H THR 66 H THR 66 -8.721 10.687 -12.910 490 HA THR 66 HA THR 66 -10.270 12.153 -14.940 491 HB THR 66 HB THR 66 -11.945 12.390 -13.092 492 HG1 THR 66 HG1 THR 66 -11.358 11.371 -11.077 493 1HG2 THR 66 1HG2 THR 66 -11.547 10.084 -14.505 494 2HG2 THR 66 2HG2 THR 66 -11.222 9.483 -12.862 495 3HG2 THR 66 3HG2 THR 66 -12.793 10.229 -13.243 496 H GLY 67 H GLY 67 -8.133 12.395 -12.100 497 1HA GLY 67 1HA GLY 67 -7.509 15.118 -12.830 498 2HA GLY 67 2HA GLY 67 -6.777 14.147 -11.567 499 H LYS 68 H LYS 68 -9.317 13.362 -10.263 500 HA LYS 68 HA LYS 68 -10.603 15.826 -9.536 501 1HB LYS 68 1HB LYS 68 -10.969 12.918 -8.877 502 2HB LYS 68 2HB LYS 68 -11.712 14.132 -7.856 503 1HG LYS 68 1HG LYS 68 -12.036 14.450 -10.833 504 2HG LYS 68 2HG LYS 68 -12.935 13.158 -10.062 505 1HD LYS 68 1HD LYS 68 -13.807 14.874 -8.382 506 2HD LYS 68 2HD LYS 68 -13.037 16.123 -9.340 507 1HE LYS 68 1HE LYS 68 -14.421 15.599 -11.283 508 2HE LYS 68 2HE LYS 68 -15.049 14.153 -10.517 509 1HZ LYS 68 1HZ LYS 68 -15.905 15.703 -8.758 510 2HZ LYS 68 2HZ LYS 68 -15.573 16.935 -9.776 511 3HZ LYS 68 3HZ LYS 68 -16.648 15.785 -10.210 512 H GLU 69 H GLU 69 -9.748 13.413 -7.073 513 HA GLU 69 HA GLU 69 -7.481 14.616 -6.097 514 1HB GLU 69 1HB GLU 69 -8.203 16.036 -4.320 515 2HB GLU 69 2HB GLU 69 -9.125 16.542 -5.721 516 1HG GLU 69 1HG GLU 69 -11.024 15.045 -4.944 517 2HG GLU 69 2HG GLU 69 -10.106 14.696 -3.493 518 H ILE 70 H ILE 70 -6.568 13.023 -4.867 519 HA ILE 70 HA ILE 70 -8.430 11.178 -3.538 520 HB ILE 70 HB ILE 70 -5.677 10.598 -4.637 521 1HG1 ILE 70 1HG1 ILE 70 -7.719 11.096 -6.243 522 2HG1 ILE 70 2HG1 ILE 70 -6.583 9.804 -6.572 523 1HG2 ILE 70 1HG2 ILE 70 -7.600 9.078 -2.973 524 2HG2 ILE 70 2HG2 ILE 70 -6.855 8.192 -4.325 525 3HG2 ILE 70 3HG2 ILE 70 -5.828 8.961 -3.091 526 1HD1 ILE 70 1HD1 ILE 70 -8.856 9.042 -4.799 527 2HD1 ILE 70 2HD1 ILE 70 -9.297 9.456 -6.473 528 3HD1 ILE 70 3HD1 ILE 70 -8.125 8.154 -6.158 529 HA PRO 71 HA PRO 71 -6.729 13.468 -0.040 530 1HB PRO 71 1HB PRO 71 -8.568 11.462 1.272 531 2HB PRO 71 2HB PRO 71 -8.435 13.238 1.481 532 1HG PRO 71 1HG PRO 71 -10.328 12.135 0.172 533 2HG PRO 71 2HG PRO 71 -9.853 13.774 -0.381 534 1HD PRO 71 1HD PRO 71 -9.406 11.100 -1.645 535 2HD PRO 71 2HD PRO 71 -9.304 12.728 -2.381 536 HA PRO 72 HA PRO 72 -3.501 11.077 1.704 537 1HB PRO 72 1HB PRO 72 -5.121 10.805 4.255 538 2HB PRO 72 2HB PRO 72 -3.419 11.311 4.001 539 1HG PRO 72 1HG PRO 72 -5.497 13.200 4.417 540 2HG PRO 72 2HG PRO 72 -3.914 13.248 3.575 541 1HD PRO 72 1HD PRO 72 -6.718 13.203 2.472 542 2HD PRO 72 2HD PRO 72 -5.216 13.826 1.725 543 H LEU 73 H LEU 73 -3.035 8.888 1.391 544 HA LEU 73 HA LEU 73 -5.343 7.111 1.366 545 1HB LEU 73 1HB LEU 73 -4.102 7.101 -0.643 546 2HB LEU 73 2HB LEU 73 -2.571 6.974 0.201 547 HG LEU 73 HG LEU 73 -3.731 4.684 1.052 548 1HD1 LEU 73 1HD1 LEU 73 -5.650 5.464 -0.666 549 2HD1 LEU 73 2HD1 LEU 73 -4.606 4.546 -1.778 550 3HD1 LEU 73 3HD1 LEU 73 -5.266 3.760 -0.324 551 1HD2 LEU 73 1HD2 LEU 73 -2.189 5.102 -1.523 552 2HD2 LEU 73 2HD2 LEU 73 -1.516 4.832 0.103 553 3HD2 LEU 73 3HD2 LEU 73 -2.425 3.536 -0.712 554 H ALA 74 H ALA 74 -2.345 7.831 3.115 555 HA ALA 74 HA ALA 74 -1.699 5.570 4.373 556 1HB ALA 74 1HB ALA 74 -0.618 7.714 4.793 557 2HB ALA 74 2HB ALA 74 -2.080 8.332 5.598 558 3HB ALA 74 3HB ALA 74 -1.145 7.012 6.342 559 HA PRO 75 HA PRO 75 -5.637 4.373 6.125 560 1HB PRO 75 1HB PRO 75 -4.989 1.729 6.406 561 2HB PRO 75 2HB PRO 75 -5.357 2.463 4.811 562 1HG PRO 75 1HG PRO 75 -2.602 1.790 5.940 563 2HG PRO 75 2HG PRO 75 -3.429 1.641 4.356 564 1HD PRO 75 1HD PRO 75 -1.713 3.768 5.221 565 2HD PRO 75 2HD PRO 75 -2.799 3.803 3.799 566 H ARG 76 H ARG 76 -3.664 5.806 7.741 567 HA ARG 76 HA ARG 76 -4.113 4.336 10.166 568 1HB ARG 76 1HB ARG 76 -1.735 3.816 9.189 569 2HB ARG 76 2HB ARG 76 -1.333 5.464 9.628 570 1HG ARG 76 1HG ARG 76 -2.680 4.208 11.871 571 2HG ARG 76 2HG ARG 76 -1.391 3.152 11.327 572 1HD ARG 76 1HD ARG 76 0.107 4.485 12.389 573 2HD ARG 76 2HD ARG 76 -0.285 5.778 11.273 574 HE ARG 76 HE ARG 76 -2.178 5.456 13.514 575 1HH1 ARG 76 1HH1 ARG 76 -2.367 7.211 14.966 576 2HH1 ARG 76 2HH1 ARG 76 -1.207 8.496 14.925 577 1HH2 ARG 76 1HH2 ARG 76 0.683 7.106 12.298 578 2HH2 ARG 76 2HH2 ARG 76 0.539 8.436 13.398 579 H VAL 77 H VAL 77 -2.412 7.227 8.739 580 HA VAL 77 HA VAL 77 -2.493 8.932 10.820 581 HB VAL 77 HB VAL 77 -2.872 9.319 7.865 582 1HG1 VAL 77 1HG1 VAL 77 -3.488 11.254 9.947 583 2HG1 VAL 77 2HG1 VAL 77 -2.152 11.815 8.912 584 3HG1 VAL 77 3HG1 VAL 77 -3.713 11.365 8.184 585 1HG2 VAL 77 1HG2 VAL 77 -0.664 8.643 9.153 586 2HG2 VAL 77 2HG2 VAL 77 -0.622 9.805 7.805 587 3HG2 VAL 77 3HG2 VAL 77 -0.587 10.390 9.485 588 H ASN 78 H ASN 78 -5.213 8.069 8.617 589 HA ASN 78 HA ASN 78 -6.930 9.739 10.245 590 1HB ASN 78 1HB ASN 78 -7.841 8.158 7.813 591 2HB ASN 78 2HB ASN 78 -8.497 9.658 8.439 592 1HD2 ASN 78 2HD2 ASN 78 -8.070 9.662 5.874 593 2HD2 ASN 78 1HD2 ASN 78 -6.662 10.554 5.401 594 H THR 79 H THR 79 -8.872 8.789 11.248 595 HA THR 79 HA THR 79 -8.527 5.959 11.856 596 HB THR 79 HB THR 79 -10.280 6.570 13.617 597 HG1 THR 79 HG1 THR 79 -11.103 8.378 12.250 598 1HG2 THR 79 1HG2 THR 79 -7.754 6.874 14.037 599 2HG2 THR 79 2HG2 THR 79 -7.971 8.575 13.559 600 3HG2 THR 79 3HG2 THR 79 -8.814 7.938 14.992 601 H LYS 80 H LYS 80 -9.891 7.591 9.362 602 HA LYS 80 HA LYS 80 -12.220 5.803 9.306 603 1HB LYS 80 1HB LYS 80 -11.819 8.624 8.542 604 2HB LYS 80 2HB LYS 80 -12.665 7.668 7.342 605 1HG LYS 80 1HG LYS 80 -14.375 8.497 8.797 606 2HG LYS 80 2HG LYS 80 -14.173 6.815 9.243 607 1HD LYS 80 1HD LYS 80 -13.254 7.320 11.305 608 2HD LYS 80 2HD LYS 80 -12.412 8.735 10.707 609 1HE LYS 80 1HE LYS 80 -15.413 8.881 10.747 610 2HE LYS 80 2HE LYS 80 -14.610 8.890 12.304 611 1HZ LYS 80 1HZ LYS 80 -13.391 10.609 10.384 612 2HZ LYS 80 2HZ LYS 80 -14.930 11.026 10.737 613 3HZ LYS 80 3HZ LYS 80 -13.820 10.914 11.930 614 H ARG 81 H ARG 81 -9.818 4.580 8.811 615 HA ARG 81 HA ARG 81 -10.100 4.107 5.981 616 1HB ARG 81 1HB ARG 81 -7.459 4.749 7.380 617 2HB ARG 81 2HB ARG 81 -7.530 3.976 5.809 618 1HG ARG 81 1HG ARG 81 -9.113 6.515 6.206 619 2HG ARG 81 2HG ARG 81 -7.372 6.649 6.059 620 1HD ARG 81 1HD ARG 81 -7.548 5.235 3.917 621 2HD ARG 81 2HD ARG 81 -9.288 5.400 4.036 622 HE ARG 81 HE ARG 81 -7.361 7.533 3.358 623 1HH1 ARG 81 1HH1 ARG 81 -8.231 9.496 2.578 624 2HH1 ARG 81 2HH1 ARG 81 -9.931 9.802 2.709 625 1HH2 ARG 81 1HH2 ARG 81 -10.664 6.731 4.270 626 2HH2 ARG 81 2HH2 ARG 81 -11.324 8.219 3.678 627 H PHE 82 H PHE 82 -9.081 1.962 5.339 628 HA PHE 82 HA PHE 82 -8.959 -0.222 5.646 629 1HB PHE 82 1HB PHE 82 -7.264 1.110 7.753 630 2HB PHE 82 2HB PHE 82 -7.575 -0.591 8.036 631 HD1 PHE 82 HD1 PHE 82 -5.043 -0.732 7.848 632 HD2 PHE 82 HD2 PHE 82 -7.534 0.276 4.564 633 HE1 PHE 82 HE1 PHE 82 -3.194 -1.334 6.260 634 HE2 PHE 82 HE2 PHE 82 -5.686 -0.326 2.977 635 HZ PHE 82 HZ PHE 82 -3.537 -1.124 3.844 636 H THR 83 H THR 83 -11.363 1.056 6.733 637 HA THR 83 HA THR 83 -11.871 -0.436 9.187 638 HB THR 83 HB THR 83 -13.623 1.538 7.633 639 HG1 THR 83 HG1 THR 83 -11.795 2.692 8.314 640 1HG2 THR 83 1HG2 THR 83 -14.573 0.010 9.577 641 2HG2 THR 83 2HG2 THR 83 -13.576 1.040 10.632 642 3HG2 THR 83 3HG2 THR 83 -14.869 1.764 9.646 643 H ASP 84 H ASP 84 -11.353 -2.303 7.371 644 HA ASP 84 HA ASP 84 -13.680 -3.755 7.323 645 1HB ASP 84 1HB ASP 84 -14.528 -2.362 5.546 646 2HB ASP 84 2HB ASP 84 -12.986 -2.351 4.715 647 H ILE 85 H ILE 85 -12.125 -5.338 8.072 648 HA ILE 85 HA ILE 85 -9.896 -5.956 6.323 649 HB ILE 85 HB ILE 85 -9.714 -5.722 8.822 650 1HG1 ILE 85 1HG1 ILE 85 -8.761 -8.461 8.194 651 2HG1 ILE 85 2HG1 ILE 85 -8.291 -7.214 7.056 652 1HG2 ILE 85 1HG2 ILE 85 -11.631 -7.961 8.675 653 2HG2 ILE 85 2HG2 ILE 85 -10.278 -8.190 9.809 654 3HG2 ILE 85 3HG2 ILE 85 -11.340 -6.770 9.965 655 1HD1 ILE 85 1HD1 ILE 85 -7.997 -6.242 9.797 656 2HD1 ILE 85 2HD1 ILE 85 -7.097 -7.760 9.558 657 3HD1 ILE 85 3HD1 ILE 85 -6.775 -6.360 8.508 658 H ASP 86 H ASP 86 -12.426 -6.358 5.116 659 HA ASP 86 HA ASP 86 -12.443 -9.272 5.054 660 1HB ASP 86 1HB ASP 86 -14.523 -8.195 6.077 661 2HB ASP 86 2HB ASP 86 -14.822 -7.431 4.529 662 H LYS 87 H LYS 87 -13.165 -6.150 3.345 663 HA LYS 87 HA LYS 87 -13.041 -7.477 0.775 664 1HB LYS 87 1HB LYS 87 -14.767 -5.753 1.305 665 2HB LYS 87 2HB LYS 87 -13.495 -4.555 1.446 666 1HG LYS 87 1HG LYS 87 -12.789 -5.429 -0.966 667 2HG LYS 87 2HG LYS 87 -14.432 -6.037 -1.023 668 1HD LYS 87 1HD LYS 87 -15.259 -3.710 -0.440 669 2HD LYS 87 2HD LYS 87 -13.605 -3.137 -0.535 670 1HE LYS 87 1HE LYS 87 -14.509 -2.669 -2.690 671 2HE LYS 87 2HE LYS 87 -13.551 -4.116 -2.933 672 1HZ LYS 87 1HZ LYS 87 -16.365 -4.378 -2.234 673 2HZ LYS 87 2HZ LYS 87 -15.953 -4.023 -3.774 674 3HZ LYS 87 3HZ LYS 87 -15.415 -5.401 -3.082 675 H VAL 88 H VAL 88 -11.098 -5.380 2.907 676 HA VAL 88 HA VAL 88 -9.248 -4.434 1.127 677 HB VAL 88 HB VAL 88 -9.535 -4.797 3.963 678 1HG1 VAL 88 1HG1 VAL 88 -6.767 -5.326 2.839 679 2HG1 VAL 88 2HG1 VAL 88 -7.081 -4.824 4.518 680 3HG1 VAL 88 3HG1 VAL 88 -7.725 -6.371 3.916 681 1HG2 VAL 88 1HG2 VAL 88 -8.215 -2.884 2.070 682 2HG2 VAL 88 2HG2 VAL 88 -9.488 -2.600 3.282 683 3HG2 VAL 88 3HG2 VAL 88 -7.797 -2.807 3.798 684 H GLU 89 H GLU 89 -9.592 -7.703 2.551 685 HA GLU 89 HA GLU 89 -7.091 -8.551 1.517 686 1HB GLU 89 1HB GLU 89 -8.179 -9.515 3.571 687 2HB GLU 89 2HB GLU 89 -9.430 -10.210 2.559 688 1HG GLU 89 1HG GLU 89 -7.851 -11.650 1.422 689 2HG GLU 89 2HG GLU 89 -6.476 -10.785 2.080 690 H ASP 90 H ASP 90 -8.015 -7.475 -0.685 691 HA ASP 90 HA ASP 90 -8.153 -9.519 -2.490 692 1HB ASP 90 1HB ASP 90 -10.424 -9.985 -1.724 693 2HB ASP 90 2HB ASP 90 -10.858 -8.289 -1.808 694 H GLU 91 H GLU 91 -9.561 -6.258 -1.710 695 HA GLU 91 HA GLU 91 -9.459 -5.212 -4.239 696 1HB GLU 91 1HB GLU 91 -9.340 -3.996 -1.468 697 2HB GLU 91 2HB GLU 91 -9.190 -2.965 -2.877 698 1HG GLU 91 1HG GLU 91 -11.437 -4.951 -2.933 699 2HG GLU 91 2HG GLU 91 -11.590 -3.650 -1.769 700 H PHE 92 H PHE 92 -6.872 -6.081 -2.096 701 HA PHE 92 HA PHE 92 -4.998 -4.201 -3.206 702 1HB PHE 92 1HB PHE 92 -5.293 -6.064 -0.972 703 2HB PHE 92 2HB PHE 92 -3.809 -6.460 -1.815 704 HD1 PHE 92 HD1 PHE 92 -2.672 -3.962 -2.613 705 HD2 PHE 92 HD2 PHE 92 -4.815 -4.870 0.935 706 HE1 PHE 92 HE1 PHE 92 -1.497 -2.089 -1.425 707 HE2 PHE 92 HE2 PHE 92 -3.640 -2.997 2.124 708 HZ PHE 92 HZ PHE 92 -1.995 -1.629 0.930 709 H THR 93 H THR 93 -6.186 -7.446 -3.870 710 HA THR 93 HA THR 93 -3.848 -8.103 -5.474 711 HB THR 93 HB THR 93 -6.255 -9.506 -4.330 712 HG1 THR 93 HG1 THR 93 -3.397 -9.918 -4.837 713 1HG2 THR 93 1HG2 THR 93 -4.725 -10.379 -6.832 714 2HG2 THR 93 2HG2 THR 93 -5.600 -11.518 -5.781 715 3HG2 THR 93 3HG2 THR 93 -6.490 -10.243 -6.646 716 H LYS 94 H LYS 94 -7.175 -6.917 -5.820 717 HA LYS 94 HA LYS 94 -7.239 -7.426 -8.631 718 1HB LYS 94 1HB LYS 94 -9.016 -5.732 -6.850 719 2HB LYS 94 2HB LYS 94 -9.339 -6.107 -8.530 720 1HG LYS 94 1HG LYS 94 -8.790 -8.375 -6.602 721 2HG LYS 94 2HG LYS 94 -10.367 -7.612 -6.588 722 1HD LYS 94 1HD LYS 94 -10.351 -7.973 -9.181 723 2HD LYS 94 2HD LYS 94 -9.017 -9.071 -8.889 724 1HE LYS 94 1HE LYS 94 -10.367 -10.532 -7.532 725 2HE LYS 94 2HE LYS 94 -11.632 -9.333 -7.353 726 1HZ LYS 94 1HZ LYS 94 -10.882 -10.506 -9.938 727 2HZ LYS 94 2HZ LYS 94 -12.097 -11.073 -9.005 728 3HZ LYS 94 3HZ LYS 94 -12.180 -9.565 -9.626 729 H HIS 95 H HIS 95 -6.183 -4.918 -6.477 730 HA HIS 95 HA HIS 95 -6.077 -2.757 -8.391 731 1HB HIS 95 1HB HIS 95 -6.166 -2.649 -5.840 732 2HB HIS 95 2HB HIS 95 -4.408 -3.105 -5.847 733 HD1 HIS 95 HD1 HIS 95 -5.155 -0.898 -8.593 734 HD2 HIS 95 HD2 HIS 95 -4.271 -0.440 -4.534 735 HE1 HIS 95 HE1 HIS 95 -4.425 1.555 -8.289 736 H CYS 96 H CYS 96 -3.481 -4.826 -6.959 737 HA CYS 96 HA CYS 96 -1.390 -3.944 -8.625 738 1HB CYS 96 1HB CYS 96 -1.954 -6.424 -7.009 739 2HB CYS 96 2HB CYS 96 -0.538 -6.386 -8.088 740 H ASN 97 H ASN 97 -4.134 -6.108 -9.290 741 HA ASN 97 HA ASN 97 -2.834 -7.280 -11.527 742 1HB ASN 97 1HB ASN 97 -5.344 -7.603 -10.053 743 2HB ASN 97 2HB ASN 97 -5.673 -7.560 -11.773 744 1HD2 ASN 97 2HD2 ASN 97 -5.143 -9.563 -9.317 745 2HD2 ASN 97 1HD2 ASN 97 -4.383 -10.912 -10.094 746 H ASP 98 H ASP 98 -4.356 -4.279 -10.799 747 HA ASP 98 HA ASP 98 -5.003 -3.879 -13.613 748 1HB ASP 98 1HB ASP 98 -6.376 -3.182 -11.125 749 2HB ASP 98 2HB ASP 98 -6.053 -1.735 -12.060 750 H ILE 99 H ILE 99 -2.673 -3.368 -11.256 751 HA ILE 99 HA ILE 99 -1.942 -0.740 -12.350 752 HB ILE 99 HB ILE 99 -1.377 -1.939 -9.636 753 1HG1 ILE 99 1HG1 ILE 99 -3.692 -1.091 -10.005 754 2HG1 ILE 99 2HG1 ILE 99 -2.811 -0.247 -8.748 755 1HG2 ILE 99 1HG2 ILE 99 0.316 -0.284 -10.998 756 2HG2 ILE 99 2HG2 ILE 99 -0.695 0.884 -10.114 757 3HG2 ILE 99 3HG2 ILE 99 0.184 -0.384 -9.226 758 1HD1 ILE 99 1HD1 ILE 99 -2.366 1.000 -11.367 759 2HD1 ILE 99 2HD1 ILE 99 -4.096 0.926 -10.954 760 3HD1 ILE 99 3HD1 ILE 99 -2.952 1.731 -9.853 761 H LEU 100 H LEU 100 -0.583 -3.820 -10.982 762 HA LEU 100 HA LEU 100 1.806 -3.360 -12.584 763 1HB LEU 100 1HB LEU 100 1.123 -5.155 -10.273 764 2HB LEU 100 2HB LEU 100 2.533 -5.461 -11.267 765 HG LEU 100 HG LEU 100 1.991 -2.919 -9.706 766 1HD1 LEU 100 1HD1 LEU 100 2.973 -5.427 -8.838 767 2HD1 LEU 100 2HD1 LEU 100 4.363 -4.317 -8.901 768 3HD1 LEU 100 3HD1 LEU 100 2.924 -3.888 -7.945 769 1HD2 LEU 100 1HD2 LEU 100 4.030 -3.637 -11.744 770 2HD2 LEU 100 2HD2 LEU 100 3.323 -2.059 -11.323 771 3HD2 LEU 100 3HD2 LEU 100 4.601 -2.763 -10.303 772 H GLY 101 H GLY 101 -1.247 -4.820 -12.841 773 1HA GLY 101 1HA GLY 101 -0.445 -6.221 -15.232 774 2HA GLY 101 2HA GLY 101 -2.066 -6.008 -14.603 775 H ALA 102 H ALA 102 -0.713 -6.974 -11.853 776 HA ALA 102 HA ALA 102 -1.638 -9.635 -12.101 777 1HB ALA 102 1HB ALA 102 0.798 -9.476 -13.188 778 2HB ALA 102 2HB ALA 102 0.310 -10.869 -12.193 779 3HB ALA 102 3HB ALA 102 1.297 -9.569 -11.482 780 H ASP 103 H ASP 103 -0.857 -10.870 -9.928 781 HA ASP 103 HA ASP 103 -1.689 -9.108 -7.873 782 1HB ASP 103 1HB ASP 103 -2.303 -11.570 -8.076 783 2HB ASP 103 2HB ASP 103 -0.646 -11.971 -7.671 784 H CYS 104 H CYS 104 -0.403 -8.145 -6.346 785 HA CYS 104 HA CYS 104 2.451 -8.061 -6.728 786 1HB CYS 104 1HB CYS 104 0.501 -6.909 -4.718 787 2HB CYS 104 2HB CYS 104 2.260 -6.725 -4.510 788 H SER 105 H SER 105 4.065 -8.551 -4.919 789 HA SER 105 HA SER 105 3.587 -11.193 -4.061 790 1HB SER 105 1HB SER 105 5.840 -9.440 -3.041 791 2HB SER 105 2HB SER 105 5.848 -11.170 -3.315 792 HG SER 105 HG SER 105 6.005 -10.874 -5.523 793 HA PRO 106 HA PRO 106 1.671 -10.530 -0.161 794 1HB PRO 106 1HB PRO 106 2.742 -12.714 1.194 795 2HB PRO 106 2HB PRO 106 1.436 -12.821 -0.032 796 1HG PRO 106 1HG PRO 106 4.369 -13.311 -0.441 797 2HG PRO 106 2HG PRO 106 2.969 -14.292 -0.984 798 1HD PRO 106 1HD PRO 106 4.188 -12.528 -2.659 799 2HD PRO 106 2HD PRO 106 2.404 -12.678 -2.652 800 H SER 107 H SER 107 5.162 -10.550 -0.675 801 HA SER 107 HA SER 107 5.661 -9.817 2.054 802 1HB SER 107 1HB SER 107 7.995 -9.883 1.462 803 2HB SER 107 2HB SER 107 7.233 -11.257 0.686 804 HG SER 107 HG SER 107 7.507 -10.370 -1.294 805 H GLU 108 H GLU 108 5.473 -8.355 -1.219 806 HA GLU 108 HA GLU 108 6.496 -5.866 -0.411 807 1HB GLU 108 1HB GLU 108 4.695 -6.470 -2.795 808 2HB GLU 108 2HB GLU 108 5.761 -5.090 -2.616 809 1HG GLU 108 1HG GLU 108 6.922 -7.879 -2.413 810 2HG GLU 108 2HG GLU 108 6.541 -7.231 -3.996 811 H LYS 109 H LYS 109 3.663 -7.451 0.447 812 HA LYS 109 HA LYS 109 2.018 -5.053 0.447 813 1HB LYS 109 1HB LYS 109 1.197 -7.375 -0.248 814 2HB LYS 109 2HB LYS 109 1.268 -7.806 1.449 815 1HG LYS 109 1HG LYS 109 -0.874 -6.991 1.504 816 2HG LYS 109 2HG LYS 109 -0.086 -5.431 1.634 817 1HD LYS 109 1HD LYS 109 -1.701 -5.238 -0.149 818 2HD LYS 109 2HD LYS 109 -0.122 -5.275 -0.908 819 1HE LYS 109 1HE LYS 109 -0.522 -7.885 -1.055 820 2HE LYS 109 2HE LYS 109 -2.205 -7.479 -0.787 821 1HZ LYS 109 1HZ LYS 109 -1.317 -5.735 -2.693 822 2HZ LYS 109 2HZ LYS 109 -0.680 -7.177 -3.122 823 3HZ LYS 109 3HZ LYS 109 -2.294 -7.023 -2.925 824 H ALA 110 H ALA 110 2.903 -7.615 2.876 825 HA ALA 110 HA ALA 110 2.195 -6.209 5.108 826 1HB ALA 110 1HB ALA 110 3.699 -8.568 4.419 827 2HB ALA 110 2HB ALA 110 2.866 -8.182 5.944 828 3HB ALA 110 3HB ALA 110 4.560 -7.689 5.705 829 H ASN 111 H ASN 111 4.839 -5.635 2.881 830 HA ASN 111 HA ASN 111 6.435 -4.228 4.738 831 1HB ASN 111 1HB ASN 111 7.088 -5.337 2.433 832 2HB ASN 111 2HB ASN 111 6.505 -3.848 1.714 833 1HD2 ASN 111 2HD2 ASN 111 7.302 -1.815 2.941 834 2HD2 ASN 111 1HD2 ASN 111 9.001 -1.743 3.270 835 H PHE 112 H PHE 112 3.898 -3.492 2.298 836 HA PHE 112 HA PHE 112 4.248 -0.666 2.477 837 1HB PHE 112 1HB PHE 112 3.336 -2.021 0.503 838 2HB PHE 112 2HB PHE 112 1.945 -2.450 1.479 839 HD1 PHE 112 HD1 PHE 112 0.026 -1.266 1.048 840 HD2 PHE 112 HD2 PHE 112 3.760 0.676 0.509 841 HE1 PHE 112 HE1 PHE 112 -1.163 0.800 0.263 842 HE2 PHE 112 HE2 PHE 112 2.572 2.743 -0.276 843 HZ PHE 112 HZ PHE 112 0.125 2.780 -0.390 844 H ILE 113 H ILE 113 1.899 -3.098 3.773 845 HA ILE 113 HA ILE 113 0.161 -1.301 4.956 846 HB ILE 113 HB ILE 113 0.877 -4.165 5.334 847 1HG1 ILE 113 1HG1 ILE 113 -1.935 -3.429 5.140 848 2HG1 ILE 113 2HG1 ILE 113 -0.998 -2.723 3.838 849 1HG2 ILE 113 1HG2 ILE 113 -0.723 -2.529 7.306 850 2HG2 ILE 113 2HG2 ILE 113 -0.926 -4.287 7.119 851 3HG2 ILE 113 3HG2 ILE 113 0.647 -3.621 7.617 852 1HD1 ILE 113 1HD1 ILE 113 0.088 -5.162 3.714 853 2HD1 ILE 113 2HD1 ILE 113 -1.436 -5.628 4.507 854 3HD1 ILE 113 3HD1 ILE 113 -1.470 -4.814 2.925 855 H ALA 114 H ALA 114 3.296 -2.642 6.075 856 HA ALA 114 HA ALA 114 3.107 -1.679 8.702 857 1HB ALA 114 1HB ALA 114 4.677 -3.423 8.045 858 2HB ALA 114 2HB ALA 114 5.585 -2.028 8.675 859 3HB ALA 114 3HB ALA 114 5.494 -2.311 6.920 860 H TYR 115 H TYR 115 5.229 -0.472 6.078 861 HA TYR 115 HA TYR 115 5.960 1.949 7.142 862 1HB TYR 115 1HB TYR 115 6.246 0.699 4.736 863 2HB TYR 115 2HB TYR 115 5.182 2.041 4.284 864 HD1 TYR 115 HD1 TYR 115 8.541 1.069 5.351 865 HD2 TYR 115 HD2 TYR 115 5.923 4.386 4.583 866 HE1 TYR 115 HE1 TYR 115 10.495 2.595 5.280 867 HE2 TYR 115 HE2 TYR 115 7.876 5.912 4.512 868 HH TYR 115 HH TYR 115 11.114 4.894 5.404 869 H LEU 116 H LEU 116 2.752 1.047 5.830 870 HA LEU 116 HA LEU 116 1.866 3.748 5.660 871 1HB LEU 116 1HB LEU 116 0.687 1.034 5.350 872 2HB LEU 116 2HB LEU 116 -0.410 2.357 5.697 873 HG LEU 116 HG LEU 116 1.466 2.119 3.332 874 1HD1 LEU 116 1HD1 LEU 116 -1.544 2.008 3.612 875 2HD1 LEU 116 2HD1 LEU 116 -0.706 2.227 2.057 876 3HD1 LEU 116 3HD1 LEU 116 -0.444 0.745 3.008 877 1HD2 LEU 116 1HD2 LEU 116 0.190 4.482 4.526 878 2HD2 LEU 116 2HD2 LEU 116 1.547 4.356 3.381 879 3HD2 LEU 116 3HD2 LEU 116 -0.129 4.274 2.787 880 H LEU 117 H LEU 117 1.583 1.064 8.057 881 HA LEU 117 HA LEU 117 0.210 2.882 9.865 882 1HB LEU 117 1HB LEU 117 -0.427 1.021 11.075 883 2HB LEU 117 2HB LEU 117 -0.507 0.492 9.407 884 HG LEU 117 HG LEU 117 2.068 -0.219 10.164 885 1HD1 LEU 117 1HD1 LEU 117 0.990 0.345 12.553 886 2HD1 LEU 117 2HD1 LEU 117 0.444 -1.341 12.384 887 3HD1 LEU 117 3HD1 LEU 117 2.180 -0.955 12.302 888 1HD2 LEU 117 1HD2 LEU 117 0.001 -1.406 8.948 889 2HD2 LEU 117 2HD2 LEU 117 1.413 -2.302 9.556 890 3HD2 LEU 117 3HD2 LEU 117 -0.084 -2.240 10.518 891 H THR 118 H THR 118 2.998 3.409 9.036 892 HA THR 118 HA THR 118 4.242 3.151 11.694 893 HB THR 118 HB THR 118 5.323 2.660 8.898 894 HG1 THR 118 HG1 THR 118 5.614 0.706 9.934 895 1HG2 THR 118 1HG2 THR 118 6.870 3.513 11.394 896 2HG2 THR 118 2HG2 THR 118 7.612 2.566 10.082 897 3HG2 THR 118 3HG2 THR 118 6.993 4.203 9.758 898 H GLU 119 H GLU 119 4.614 4.986 8.581 899 HA GLU 119 HA GLU 119 5.752 7.176 9.750 900 1HB GLU 119 1HB GLU 119 3.977 7.011 7.275 901 2HB GLU 119 2HB GLU 119 4.963 8.401 7.685 902 1HG GLU 119 1HG GLU 119 6.743 6.220 7.886 903 2HG GLU 119 2HG GLU 119 5.765 5.839 6.482 904 H THR 120 H THR 120 4.977 8.494 11.336 905 HA THR 120 HA THR 120 2.077 9.020 11.333 906 HB THR 120 HB THR 120 2.336 9.221 13.804 907 HG1 THR 120 HG1 THR 120 4.439 9.695 14.318 908 1HG2 THR 120 1HG2 THR 120 2.671 6.785 12.347 909 2HG2 THR 120 2HG2 THR 120 3.899 6.762 13.636 910 3HG2 THR 120 3HG2 THR 120 2.178 6.955 14.049 911 H LYS 121 H LYS 121 3.304 10.555 9.561 912 HA LYS 121 HA LYS 121 2.896 13.121 10.557 913 1HB LYS 121 1HB LYS 121 5.149 14.043 10.559 914 2HB LYS 121 2HB LYS 121 4.990 12.792 11.775 915 1HG LYS 121 1HG LYS 121 5.813 11.328 9.557 916 2HG LYS 121 2HG LYS 121 6.667 12.840 9.324 917 1HD LYS 121 1HD LYS 121 6.779 11.959 12.130 918 2HD LYS 121 2HD LYS 121 7.418 10.738 11.048 919 1HE LYS 121 1HE LYS 121 8.788 12.655 9.947 920 2HE LYS 121 2HE LYS 121 8.335 13.629 11.332 921 1HZ LYS 121 1HZ LYS 121 9.185 11.473 12.553 922 2HZ LYS 121 2HZ LYS 121 10.103 11.359 11.207 923 3HZ LYS 121 3HZ LYS 121 10.187 12.695 12.142 924 HA PRO 122 HA PRO 122 2.563 13.439 6.183 925 1HB PRO 122 1HB PRO 122 1.640 16.004 6.078 926 2HB PRO 122 2HB PRO 122 0.667 14.673 6.784 927 1HG PRO 122 1HG PRO 122 2.371 16.812 8.293 928 2HG PRO 122 2HG PRO 122 0.728 16.119 8.494 929 1HD PRO 122 1HD PRO 122 3.127 15.254 9.788 930 2HD PRO 122 2HD PRO 122 1.597 14.330 9.691 931 H THR 123 H THR 123 3.432 14.915 4.362 932 HA THR 123 HA THR 123 6.152 15.644 5.065 933 HB THR 123 HB THR 123 4.607 15.442 2.427 934 HG1 THR 123 HG1 THR 123 6.755 13.894 3.689 935 1HG2 THR 123 1HG2 THR 123 6.770 16.981 2.557 936 2HG2 THR 123 2HG2 THR 123 7.628 15.431 2.736 937 3HG2 THR 123 3HG2 THR 123 6.658 15.748 1.277 938 H LYS 124 H LYS 124 3.455 17.249 3.235 939 HA LYS 124 HA LYS 124 3.607 19.602 4.718 940 1HB LYS 124 1HB LYS 124 4.812 21.100 3.292 941 2HB LYS 124 2HB LYS 124 5.867 19.758 3.687 942 1HG LYS 124 1HG LYS 124 5.853 18.916 1.522 943 2HG LYS 124 2HG LYS 124 4.210 19.437 1.209 944 1HD LYS 124 1HD LYS 124 4.903 21.401 0.291 945 2HD LYS 124 2HD LYS 124 5.963 21.747 1.643 946 1HE LYS 124 1HE LYS 124 7.710 21.333 0.250 947 2HE LYS 124 2HE LYS 124 7.272 19.638 0.326 948 1HZ LYS 124 1HZ LYS 124 5.560 20.515 -1.480 949 2HZ LYS 124 2HZ LYS 124 6.796 21.542 -1.768 950 3HZ LYS 124 3HZ LYS 124 7.036 19.930 -1.860 No H/Q in entry = 950 Start of MODEL 14 1 H1 ASP 1 H1 ASP 1 -7.613 1.216 17.013 2 H2 ASP 1 H2 ASP 1 -8.296 2.643 16.523 3 H3 ASP 1 H3 ASP 1 -9.083 1.212 16.252 4 HA ASP 1 HA ASP 1 -8.153 0.892 14.416 5 1HB ASP 1 1HB ASP 1 -6.381 3.321 14.626 6 2HB ASP 1 2HB ASP 1 -7.329 2.764 13.262 7 H VAL 2 H VAL 2 -5.939 0.538 13.210 8 HA VAL 2 HA VAL 2 -3.747 0.037 13.182 9 HB VAL 2 HB VAL 2 -3.585 0.296 16.175 10 1HG1 VAL 2 1HG1 VAL 2 -1.667 0.238 13.878 11 2HG1 VAL 2 2HG1 VAL 2 -1.254 1.226 15.300 12 3HG1 VAL 2 3HG1 VAL 2 -1.554 -0.519 15.486 13 1HG2 VAL 2 1HG2 VAL 2 -4.276 2.389 14.306 14 2HG2 VAL 2 2HG2 VAL 2 -4.098 2.465 16.076 15 3HG2 VAL 2 3HG2 VAL 2 -2.681 2.711 15.027 16 H THR 3 H THR 3 -5.775 -1.224 15.879 17 HA THR 3 HA THR 3 -4.554 -3.622 16.337 18 HB THR 3 HB THR 3 -7.482 -2.752 16.274 19 HG1 THR 3 HG1 THR 3 -5.395 -3.337 18.257 20 1HG2 THR 3 1HG2 THR 3 -6.321 -5.448 16.701 21 2HG2 THR 3 2HG2 THR 3 -7.228 -4.848 18.110 22 3HG2 THR 3 3HG2 THR 3 -8.027 -4.972 16.524 23 H ASN 4 H ASN 4 -6.244 -2.578 13.429 24 HA ASN 4 HA ASN 4 -6.531 -5.261 12.502 25 1HB ASN 4 1HB ASN 4 -6.695 -2.972 10.569 26 2HB ASN 4 2HB ASN 4 -7.792 -4.322 10.780 27 1HD2 ASN 4 2HD2 ASN 4 -8.226 -4.148 13.539 28 2HD2 ASN 4 1HD2 ASN 4 -9.154 -2.729 13.895 29 H ALA 5 H ALA 5 -4.652 -2.268 11.609 30 HA ALA 5 HA ALA 5 -3.188 -3.189 9.528 31 1HB ALA 5 1HB ALA 5 -1.916 -1.307 9.867 32 2HB ALA 5 2HB ALA 5 -1.741 -1.606 11.613 33 3HB ALA 5 3HB ALA 5 -3.254 -0.919 10.975 34 H GLU 6 H GLU 6 -2.504 -3.645 13.056 35 HA GLU 6 HA GLU 6 -0.103 -4.929 12.742 36 1HB GLU 6 1HB GLU 6 -0.669 -4.250 14.934 37 2HB GLU 6 2HB GLU 6 -2.255 -4.991 14.867 38 1HG GLU 6 1HG GLU 6 -0.805 -6.347 16.300 39 2HG GLU 6 2HG GLU 6 -1.189 -7.260 14.854 40 H LYS 7 H LYS 7 -3.464 -6.273 12.853 41 HA LYS 7 HA LYS 7 -2.778 -8.950 12.754 42 1HB LYS 7 1HB LYS 7 -5.205 -7.417 11.809 43 2HB LYS 7 2HB LYS 7 -5.101 -9.161 11.685 44 1HG LYS 7 1HG LYS 7 -4.413 -7.907 14.339 45 2HG LYS 7 2HG LYS 7 -6.102 -7.945 13.873 46 1HD LYS 7 1HD LYS 7 -5.103 -10.536 13.257 47 2HD LYS 7 2HD LYS 7 -4.399 -10.131 14.811 48 1HE LYS 7 1HE LYS 7 -7.263 -9.394 14.613 49 2HE LYS 7 2HE LYS 7 -6.983 -11.111 14.404 50 1HZ LYS 7 1HZ LYS 7 -5.563 -9.826 16.564 51 2HZ LYS 7 2HZ LYS 7 -7.176 -9.997 16.753 52 3HZ LYS 7 3HZ LYS 7 -6.239 -11.311 16.501 53 H LEU 8 H LEU 8 -3.522 -6.668 10.028 54 HA LEU 8 HA LEU 8 -3.188 -8.399 7.955 55 1HB LEU 8 1HB LEU 8 -2.750 -5.470 8.325 56 2HB LEU 8 2HB LEU 8 -2.227 -6.213 6.826 57 HG LEU 8 HG LEU 8 -5.026 -6.017 7.938 58 1HD1 LEU 8 1HD1 LEU 8 -3.897 -4.170 6.540 59 2HD1 LEU 8 2HD1 LEU 8 -4.092 -5.287 5.169 60 3HD1 LEU 8 3HD1 LEU 8 -5.522 -4.720 6.065 61 1HD2 LEU 8 1HD2 LEU 8 -3.905 -8.077 6.145 62 2HD2 LEU 8 2HD2 LEU 8 -5.373 -8.094 7.152 63 3HD2 LEU 8 3HD2 LEU 8 -5.392 -7.289 5.565 64 H VAL 9 H VAL 9 -0.625 -6.502 9.676 65 HA VAL 9 HA VAL 9 1.490 -7.438 8.122 66 HB VAL 9 HB VAL 9 1.426 -6.535 11.008 67 1HG1 VAL 9 1HG1 VAL 9 3.570 -7.567 9.423 68 2HG1 VAL 9 2HG1 VAL 9 3.848 -5.826 9.673 69 3HG1 VAL 9 3HG1 VAL 9 3.623 -6.902 11.073 70 1HG2 VAL 9 1HG2 VAL 9 0.482 -5.016 9.104 71 2HG2 VAL 9 2HG2 VAL 9 1.622 -4.333 10.288 72 3HG2 VAL 9 3HG2 VAL 9 2.195 -4.801 8.669 73 H TYR 10 H TYR 10 -0.018 -8.639 11.115 74 HA TYR 10 HA TYR 10 1.795 -10.824 11.498 75 1HB TYR 10 1HB TYR 10 0.081 -9.663 13.103 76 2HB TYR 10 2HB TYR 10 -1.074 -10.818 12.416 77 HD1 TYR 10 HD1 TYR 10 -0.878 -13.210 12.852 78 HD2 TYR 10 HD2 TYR 10 1.921 -10.409 14.519 79 HE1 TYR 10 HE1 TYR 10 -0.074 -14.950 14.426 80 HE2 TYR 10 HE2 TYR 10 2.725 -12.149 16.093 81 HH TYR 10 HH TYR 10 2.386 -15.271 15.807 82 H LYS 11 H LYS 11 -0.682 -10.252 9.135 83 HA LYS 11 HA LYS 11 -1.146 -13.114 8.820 84 1HB LYS 11 1HB LYS 11 -3.081 -11.565 8.851 85 2HB LYS 11 2HB LYS 11 -2.444 -10.745 7.440 86 1HG LYS 11 1HG LYS 11 -4.050 -12.329 6.610 87 2HG LYS 11 2HG LYS 11 -2.476 -12.995 6.222 88 1HD LYS 11 1HD LYS 11 -2.836 -14.830 7.515 89 2HD LYS 11 2HD LYS 11 -3.301 -13.853 8.894 90 1HE LYS 11 1HE LYS 11 -5.569 -13.517 7.553 91 2HE LYS 11 2HE LYS 11 -5.055 -14.944 6.675 92 1HZ LYS 11 1HZ LYS 11 -4.863 -16.094 8.777 93 2HZ LYS 11 2HZ LYS 11 -5.343 -14.765 9.594 94 3HZ LYS 11 3HZ LYS 11 -6.377 -15.516 8.579 95 H TYR 12 H TYR 12 -0.627 -10.382 6.564 96 HA TYR 12 HA TYR 12 0.358 -11.781 4.407 97 1HB TYR 12 1HB TYR 12 1.011 -9.048 5.516 98 2HB TYR 12 2HB TYR 12 1.745 -9.633 4.013 99 HD1 TYR 12 HD1 TYR 12 0.315 -10.141 2.038 100 HD2 TYR 12 HD2 TYR 12 -1.270 -8.327 5.595 101 HE1 TYR 12 HE1 TYR 12 -1.697 -9.425 0.777 102 HE2 TYR 12 HE2 TYR 12 -3.282 -7.611 4.334 103 HH TYR 12 HH TYR 12 -4.049 -8.751 1.177 104 H THR 13 H THR 13 1.988 -11.155 7.514 105 HA THR 13 HA THR 13 4.596 -11.743 6.494 106 HB THR 13 HB THR 13 3.372 -11.524 9.292 107 HG1 THR 13 HG1 THR 13 5.080 -9.928 7.514 108 1HG2 THR 13 1HG2 THR 13 5.688 -12.866 8.896 109 2HG2 THR 13 2HG2 THR 13 6.319 -11.210 8.727 110 3HG2 THR 13 3HG2 THR 13 5.507 -11.705 10.233 111 H ASN 14 H ASN 14 1.986 -13.593 8.132 112 HA ASN 14 HA ASN 14 3.517 -15.869 8.524 113 1HB ASN 14 1HB ASN 14 1.211 -15.304 9.523 114 2HB ASN 14 2HB ASN 14 0.505 -15.758 7.984 115 1HD2 ASN 14 2HD2 ASN 14 1.517 -16.800 10.998 116 2HD2 ASN 14 1HD2 ASN 14 1.483 -18.516 10.763 117 H ILE 15 H ILE 15 0.942 -15.125 6.039 118 HA ILE 15 HA ILE 15 1.146 -17.331 4.490 119 HB ILE 15 HB ILE 15 0.500 -14.469 3.938 120 1HG1 ILE 15 1HG1 ILE 15 -1.405 -16.576 3.219 121 2HG1 ILE 15 2HG1 ILE 15 -0.920 -16.649 4.902 122 1HG2 ILE 15 1HG2 ILE 15 0.840 -16.626 1.851 123 2HG2 ILE 15 2HG2 ILE 15 -0.218 -15.214 1.617 124 3HG2 ILE 15 3HG2 ILE 15 1.528 -14.984 1.879 125 1HD1 ILE 15 1HD1 ILE 15 -1.398 -13.878 4.054 126 2HD1 ILE 15 2HD1 ILE 15 -2.827 -14.909 3.800 127 3HD1 ILE 15 3HD1 ILE 15 -2.099 -14.779 5.419 128 H ALA 16 H ALA 16 3.218 -14.368 4.326 129 HA ALA 16 HA ALA 16 4.749 -15.181 2.156 130 1HB ALA 16 1HB ALA 16 4.876 -13.188 4.341 131 2HB ALA 16 2HB ALA 16 6.460 -13.663 3.682 132 3HB ALA 16 3HB ALA 16 5.208 -13.002 2.603 133 H HIS 17 H HIS 17 5.176 -15.714 5.711 134 HA HIS 17 HA HIS 17 7.609 -17.078 5.425 135 1HB HIS 17 1HB HIS 17 6.419 -15.976 7.496 136 2HB HIS 17 2HB HIS 17 5.717 -17.568 7.706 137 HD1 HIS 17 HD1 HIS 17 9.306 -16.525 6.800 138 HD2 HIS 17 HD2 HIS 17 7.201 -18.778 9.644 139 HE1 HIS 17 HE1 HIS 17 11.063 -17.579 8.319 140 H SER 18 H SER 18 4.188 -18.035 5.204 141 HA SER 18 HA SER 18 4.639 -20.775 5.472 142 1HB SER 18 1HB SER 18 2.413 -19.744 5.741 143 2HB SER 18 2HB SER 18 2.408 -19.246 4.061 144 HG SER 18 HG SER 18 1.821 -21.733 5.183 145 H ALA 19 H ALA 19 5.611 -18.574 3.069 146 HA ALA 19 HA ALA 19 5.520 -20.612 0.964 147 1HB ALA 19 1HB ALA 19 5.247 -17.706 1.071 148 2HB ALA 19 2HB ALA 19 6.503 -18.203 -0.087 149 3HB ALA 19 3HB ALA 19 4.847 -18.836 -0.245 150 H ASN 20 H ASN 20 7.661 -18.460 2.892 151 HA ASN 20 HA ASN 20 9.833 -20.223 2.135 152 1HB ASN 20 1HB ASN 20 11.360 -18.199 1.963 153 2HB ASN 20 2HB ASN 20 10.158 -18.275 0.690 154 1HD2 ASN 20 2HD2 ASN 20 11.093 -15.928 0.879 155 2HD2 ASN 20 1HD2 ASN 20 10.102 -14.803 1.746 156 HA PRO 21 HA PRO 21 10.397 -19.751 6.549 157 1HB PRO 21 1HB PRO 21 12.389 -21.522 6.905 158 2HB PRO 21 2HB PRO 21 10.799 -22.069 6.280 159 1HG PRO 21 1HG PRO 21 13.261 -21.296 4.726 160 2HG PRO 21 2HG PRO 21 12.358 -22.820 4.443 161 1HD PRO 21 1HD PRO 21 11.991 -20.581 2.894 162 2HD PRO 21 2HD PRO 21 10.627 -21.665 3.305 163 H MET 22 H MET 22 11.391 -17.524 5.030 164 HA MET 22 HA MET 22 13.799 -17.067 6.555 165 1HB MET 22 1HB MET 22 15.008 -16.202 4.562 166 2HB MET 22 2HB MET 22 14.539 -17.868 4.283 167 1HG MET 22 1HG MET 22 12.409 -16.919 3.137 168 2HG MET 22 2HG MET 22 13.204 -15.358 3.181 169 1HE MET 22 1HE MET 22 13.770 -14.598 1.219 170 2HE MET 22 2HE MET 22 14.631 -15.376 -0.131 171 3HE MET 22 3HE MET 22 12.909 -15.731 0.150 172 H TYR 23 H TYR 23 11.156 -16.187 6.940 173 HA TYR 23 HA TYR 23 11.555 -13.276 6.686 174 1HB TYR 23 1HB TYR 23 10.166 -14.271 4.726 175 2HB TYR 23 2HB TYR 23 8.898 -14.500 5.943 176 HD1 TYR 23 HD1 TYR 23 7.305 -12.837 6.088 177 HD2 TYR 23 HD2 TYR 23 11.290 -11.797 4.871 178 HE1 TYR 23 HE1 TYR 23 6.600 -10.477 5.798 179 HE2 TYR 23 HE2 TYR 23 10.586 -9.436 4.581 180 HH TYR 23 HH TYR 23 8.489 -8.113 4.201 181 H GLU 24 H GLU 24 11.616 -12.788 8.884 182 HA GLU 24 HA GLU 24 9.744 -14.205 10.564 183 1HB GLU 24 1HB GLU 24 12.150 -12.436 11.096 184 2HB GLU 24 2HB GLU 24 11.031 -12.830 12.385 185 1HG GLU 24 1HG GLU 24 11.906 -15.164 10.746 186 2HG GLU 24 2HG GLU 24 13.189 -14.391 11.656 187 H ALA 25 H ALA 25 10.686 -10.819 9.671 188 HA ALA 25 HA ALA 25 7.936 -10.014 10.026 189 1HB ALA 25 1HB ALA 25 9.579 -8.082 11.409 190 2HB ALA 25 2HB ALA 25 8.175 -8.995 12.012 191 3HB ALA 25 3HB ALA 25 9.809 -9.688 12.140 192 HA PRO 26 HA PRO 26 9.194 -7.185 6.891 193 1HB PRO 26 1HB PRO 26 7.320 -5.228 7.112 194 2HB PRO 26 2HB PRO 26 6.868 -6.921 6.726 195 1HG PRO 26 1HG PRO 26 6.737 -5.505 9.143 196 2HG PRO 26 2HG PRO 26 5.486 -6.726 8.741 197 1HD PRO 26 1HD PRO 26 7.578 -7.124 10.562 198 2HD PRO 26 2HD PRO 26 6.782 -8.448 9.658 199 H SER 27 H SER 27 9.324 -4.471 6.648 200 HA SER 27 HA SER 27 10.618 -3.519 9.058 201 1HB SER 27 1HB SER 27 12.503 -4.345 7.825 202 2HB SER 27 2HB SER 27 11.891 -3.720 6.307 203 HG SER 27 HG SER 27 13.605 -2.388 7.176 204 H ILE 28 H ILE 28 11.469 -1.033 8.279 205 HA ILE 28 HA ILE 28 9.142 0.139 6.927 206 HB ILE 28 HB ILE 28 9.220 1.994 8.500 207 1HG1 ILE 28 1HG1 ILE 28 11.028 0.487 10.350 208 2HG1 ILE 28 2HG1 ILE 28 11.753 1.400 9.042 209 1HG2 ILE 28 1HG2 ILE 28 7.816 -0.107 8.845 210 2HG2 ILE 28 2HG2 ILE 28 9.006 -0.564 10.088 211 3HG2 ILE 28 3HG2 ILE 28 8.072 0.942 10.260 212 1HD1 ILE 28 1HD1 ILE 28 10.225 3.371 9.822 213 2HD1 ILE 28 2HD1 ILE 28 10.018 2.421 11.313 214 3HD1 ILE 28 3HD1 ILE 28 11.641 2.963 10.821 215 H THR 29 H THR 29 11.156 -0.524 5.318 216 HA THR 29 HA THR 29 12.421 2.062 4.803 217 HB THR 29 HB THR 29 13.831 -0.639 5.091 218 HG1 THR 29 HG1 THR 29 13.984 0.430 7.044 219 1HG2 THR 29 1HG2 THR 29 14.722 1.998 3.845 220 2HG2 THR 29 2HG2 THR 29 15.892 0.901 4.616 221 3HG2 THR 29 3HG2 THR 29 14.949 0.351 3.210 222 H ASP 30 H ASP 30 11.663 -1.275 3.662 223 HA ASP 30 HA ASP 30 12.187 -0.817 1.017 224 1HB ASP 30 1HB ASP 30 11.647 -3.031 2.093 225 2HB ASP 30 2HB ASP 30 9.970 -2.540 2.221 226 H GLY 31 H GLY 31 9.366 -0.040 3.087 227 1HA GLY 31 1HA GLY 31 7.426 1.038 2.696 228 2HA GLY 31 2HA GLY 31 7.535 0.578 1.009 229 H LYS 32 H LYS 32 9.318 1.826 -0.306 230 HA LYS 32 HA LYS 32 8.703 4.578 -0.052 231 1HB LYS 32 1HB LYS 32 11.081 3.621 1.316 232 2HB LYS 32 2HB LYS 32 11.504 4.760 0.054 233 1HG LYS 32 1HG LYS 32 9.350 5.266 2.161 234 2HG LYS 32 2HG LYS 32 11.000 5.842 2.288 235 1HD LYS 32 1HD LYS 32 10.758 7.236 0.308 236 2HD LYS 32 2HD LYS 32 9.221 6.500 -0.100 237 1HE LYS 32 1HE LYS 32 8.623 8.567 0.924 238 2HE LYS 32 2HE LYS 32 8.356 7.375 2.180 239 1HZ LYS 32 1HZ LYS 32 10.882 8.841 1.923 240 2HZ LYS 32 2HZ LYS 32 9.641 9.376 2.840 241 3HZ LYS 32 3HZ LYS 32 10.368 7.958 3.197 242 H ILE 33 H ILE 33 11.373 2.429 -1.275 243 HA ILE 33 HA ILE 33 11.453 3.767 -3.763 244 HB ILE 33 HB ILE 33 12.582 1.153 -2.773 245 1HG1 ILE 33 1HG1 ILE 33 14.169 3.597 -3.491 246 2HG1 ILE 33 2HG1 ILE 33 13.328 3.546 -1.954 247 1HG2 ILE 33 1HG2 ILE 33 12.179 1.079 -5.225 248 2HG2 ILE 33 2HG2 ILE 33 13.203 2.523 -5.402 249 3HG2 ILE 33 3HG2 ILE 33 13.901 1.008 -4.780 250 1HD1 ILE 33 1HD1 ILE 33 14.436 1.273 -1.534 251 2HD1 ILE 33 2HD1 ILE 33 15.435 1.594 -2.972 252 3HD1 ILE 33 3HD1 ILE 33 15.538 2.670 -1.558 253 H PHE 34 H PHE 34 10.063 0.604 -2.664 254 HA PHE 34 HA PHE 34 9.100 -0.222 -5.101 255 1HB PHE 34 1HB PHE 34 9.055 -1.681 -3.161 256 2HB PHE 34 2HB PHE 34 8.245 -0.478 -2.177 257 HD1 PHE 34 HD1 PHE 34 6.079 -0.996 -1.626 258 HD2 PHE 34 HD2 PHE 34 7.555 -2.250 -5.402 259 HE1 PHE 34 HE1 PHE 34 3.868 -2.069 -2.134 260 HE2 PHE 34 HE2 PHE 34 5.343 -3.323 -5.910 261 HZ PHE 34 HZ PHE 34 3.526 -3.219 -4.270 262 H PHE 35 H PHE 35 8.045 2.440 -3.086 263 HA PHE 35 HA PHE 35 5.535 2.576 -4.593 264 1HB PHE 35 1HB PHE 35 5.363 2.547 -2.105 265 2HB PHE 35 2HB PHE 35 6.577 3.804 -1.974 266 HD1 PHE 35 HD1 PHE 35 3.154 3.154 -3.265 267 HD2 PHE 35 HD2 PHE 35 5.947 6.055 -1.926 268 HE1 PHE 35 HE1 PHE 35 1.350 4.899 -3.283 269 HE2 PHE 35 HE2 PHE 35 4.143 7.800 -1.944 270 HZ PHE 35 HZ PHE 35 1.866 7.202 -2.622 271 H ASN 36 H ASN 36 8.626 3.578 -4.944 272 HA ASN 36 HA ASN 36 7.730 6.042 -6.169 273 1HB ASN 36 1HB ASN 36 10.073 5.745 -4.229 274 2HB ASN 36 2HB ASN 36 9.982 7.080 -5.361 275 1HD2 ASN 36 2HD2 ASN 36 10.085 7.703 -2.795 276 2HD2 ASN 36 1HD2 ASN 36 8.568 8.266 -2.178 277 H ARG 37 H ARG 37 8.510 3.219 -7.008 278 HA ARG 37 HA ARG 37 10.998 3.794 -8.381 279 1HB ARG 37 1HB ARG 37 10.730 1.655 -6.998 280 2HB ARG 37 2HB ARG 37 9.529 1.121 -8.156 281 1HG ARG 37 1HG ARG 37 11.143 0.409 -9.579 282 2HG ARG 37 2HG ARG 37 11.868 2.004 -9.617 283 1HD ARG 37 1HD ARG 37 12.908 1.363 -7.291 284 2HD ARG 37 2HD ARG 37 12.476 -0.284 -7.707 285 HE ARG 37 HE ARG 37 14.212 -0.318 -9.275 286 1HH1 ARG 37 1HH1 ARG 37 15.985 0.535 -10.438 287 2HH1 ARG 37 2HH1 ARG 37 16.258 2.245 -10.468 288 1HH2 ARG 37 1HH2 ARG 37 13.480 3.022 -8.446 289 2HH2 ARG 37 2HH2 ARG 37 14.824 3.670 -9.328 290 H LYS 38 H LYS 38 10.446 4.918 -10.268 291 HA LYS 38 HA LYS 38 8.105 4.722 -11.663 292 1HB LYS 38 1HB LYS 38 9.608 6.518 -12.079 293 2HB LYS 38 2HB LYS 38 10.911 5.437 -12.531 294 1HG LYS 38 1HG LYS 38 10.234 5.597 -14.687 295 2HG LYS 38 2HG LYS 38 8.768 4.742 -14.254 296 1HD LYS 38 1HD LYS 38 8.122 6.841 -15.299 297 2HD LYS 38 2HD LYS 38 7.717 6.943 -13.597 298 1HE LYS 38 1HE LYS 38 8.820 9.028 -14.372 299 2HE LYS 38 2HE LYS 38 9.781 8.232 -13.141 300 1HZ LYS 38 1HZ LYS 38 10.483 7.262 -15.672 301 2HZ LYS 38 2HZ LYS 38 10.567 8.893 -15.679 302 3HZ LYS 38 3HZ LYS 38 11.417 8.036 -14.579 303 H PHE 39 H PHE 39 7.275 2.633 -11.894 304 HA PHE 39 HA PHE 39 8.944 0.788 -13.436 305 1HB PHE 39 1HB PHE 39 7.295 -0.891 -12.526 306 2HB PHE 39 2HB PHE 39 8.037 0.023 -11.228 307 HD1 PHE 39 HD1 PHE 39 4.986 -0.132 -13.340 308 HD2 PHE 39 HD2 PHE 39 6.713 1.203 -9.701 309 HE1 PHE 39 HE1 PHE 39 2.713 0.525 -12.502 310 HE2 PHE 39 HE2 PHE 39 4.439 1.860 -8.863 311 HZ PHE 39 HZ PHE 39 2.467 1.513 -10.274 312 H LYS 40 H LYS 40 7.898 -0.483 -15.171 313 HA LYS 40 HA LYS 40 5.844 1.138 -16.490 314 1HB LYS 40 1HB LYS 40 6.655 0.238 -18.570 315 2HB LYS 40 2HB LYS 40 8.006 0.892 -17.666 316 1HG LYS 40 1HG LYS 40 9.045 -1.115 -17.808 317 2HG LYS 40 2HG LYS 40 7.773 -1.824 -16.831 318 1HD LYS 40 1HD LYS 40 6.414 -2.246 -18.876 319 2HD LYS 40 2HD LYS 40 7.648 -1.493 -19.867 320 1HE LYS 40 1HE LYS 40 9.214 -3.251 -19.483 321 2HE LYS 40 2HE LYS 40 8.373 -3.818 -18.054 322 1HZ LYS 40 1HZ LYS 40 6.780 -3.864 -20.423 323 2HZ LYS 40 2HZ LYS 40 8.083 -4.845 -20.495 324 3HZ LYS 40 3HZ LYS 40 6.995 -5.020 -19.290 325 H THR 41 H THR 41 3.893 0.233 -17.149 326 HA THR 41 HA THR 41 3.225 -2.255 -15.822 327 HB THR 41 HB THR 41 0.943 -1.555 -16.303 328 HG1 THR 41 HG1 THR 41 2.118 0.581 -17.900 329 1HG2 THR 41 1HG2 THR 41 2.186 -0.057 -14.635 330 2HG2 THR 41 2HG2 THR 41 2.533 1.042 -15.992 331 3HG2 THR 41 3HG2 THR 41 0.850 0.749 -15.492 332 HA PRO 42 HA PRO 42 3.549 -5.061 -19.095 333 1HB PRO 42 1HB PRO 42 1.210 -6.523 -18.746 334 2HB PRO 42 2HB PRO 42 2.647 -6.648 -17.680 335 1HG PRO 42 1HG PRO 42 -0.005 -4.959 -16.762 336 2HG PRO 42 2HG PRO 42 1.192 -6.244 -16.396 337 1HD PRO 42 1HD PRO 42 1.474 -3.400 -15.999 338 2HD PRO 42 2HD PRO 42 2.765 -4.631 -15.863 339 H SER 43 H SER 43 1.106 -2.611 -18.939 340 HA SER 43 HA SER 43 0.096 -3.425 -21.539 341 1HB SER 43 1HB SER 43 -1.880 -2.378 -21.016 342 2HB SER 43 2HB SER 43 -1.324 -2.650 -19.376 343 HG SER 43 HG SER 43 -1.485 -0.528 -19.160 344 H GLY 44 H GLY 44 2.805 -2.390 -21.251 345 1HA GLY 44 1HA GLY 44 3.017 -0.622 -23.310 346 2HA GLY 44 2HA GLY 44 4.188 -0.782 -22.016 347 H LYS 45 H LYS 45 3.897 0.546 -20.021 348 HA LYS 45 HA LYS 45 3.382 3.202 -20.647 349 1HB LYS 45 1HB LYS 45 0.985 2.108 -20.542 350 2HB LYS 45 2HB LYS 45 1.214 2.234 -18.809 351 1HG LYS 45 1HG LYS 45 1.410 4.610 -18.876 352 2HG LYS 45 2HG LYS 45 1.772 4.628 -20.590 353 1HD LYS 45 1HD LYS 45 -0.445 5.191 -20.792 354 2HD LYS 45 2HD LYS 45 -0.694 3.460 -20.679 355 1HE LYS 45 1HE LYS 45 -0.498 4.994 -18.093 356 2HE LYS 45 2HE LYS 45 -1.956 5.206 -19.043 357 1HZ LYS 45 1HZ LYS 45 -1.116 2.485 -18.775 358 2HZ LYS 45 2HZ LYS 45 -1.536 3.192 -17.364 359 3HZ LYS 45 3HZ LYS 45 -2.602 3.139 -18.600 360 H GLU 46 H GLU 46 4.254 4.543 -19.053 361 HA GLU 46 HA GLU 46 5.482 3.054 -16.893 362 1HB GLU 46 1HB GLU 46 6.654 4.742 -18.609 363 2HB GLU 46 2HB GLU 46 6.108 5.948 -17.461 364 1HG GLU 46 1HG GLU 46 7.390 5.014 -15.675 365 2HG GLU 46 2HG GLU 46 7.582 3.476 -16.492 366 H ALA 47 H ALA 47 4.768 3.233 -14.804 367 HA ALA 47 HA ALA 47 3.293 5.646 -14.077 368 1HB ALA 47 1HB ALA 47 2.309 2.789 -13.688 369 2HB ALA 47 2HB ALA 47 1.551 4.240 -12.991 370 3HB ALA 47 3HB ALA 47 1.590 4.018 -14.756 371 H ALA 48 H ALA 48 2.691 5.128 -11.480 372 HA ALA 48 HA ALA 48 4.726 3.720 -10.107 373 1HB ALA 48 1HB ALA 48 4.994 6.640 -9.566 374 2HB ALA 48 2HB ALA 48 6.225 5.355 -9.548 375 3HB ALA 48 3HB ALA 48 5.691 6.054 -11.095 376 H CYS 49 H CYS 49 4.375 3.815 -7.760 377 HA CYS 49 HA CYS 49 1.630 4.083 -7.176 378 1HB CYS 49 1HB CYS 49 3.887 3.769 -5.193 379 2HB CYS 49 2HB CYS 49 2.198 3.359 -4.965 380 H ALA 50 H ALA 50 4.135 6.337 -7.554 381 HA ALA 50 HA ALA 50 2.976 8.159 -5.567 382 1HB ALA 50 1HB ALA 50 5.329 7.873 -5.227 383 2HB ALA 50 2HB ALA 50 5.128 9.450 -6.028 384 3HB ALA 50 3HB ALA 50 5.670 8.038 -6.966 385 H SER 51 H SER 51 2.436 7.230 -8.656 386 HA SER 51 HA SER 51 2.488 9.826 -9.859 387 1HB SER 51 1HB SER 51 2.339 7.087 -10.754 388 2HB SER 51 2HB SER 51 0.959 7.944 -11.410 389 HG SER 51 HG SER 51 3.682 8.200 -12.018 390 H CYS 52 H CYS 52 0.361 7.926 -7.890 391 HA CYS 52 HA CYS 52 -1.847 9.710 -8.618 392 1HB CYS 52 1HB CYS 52 -1.934 6.755 -7.974 393 2HB CYS 52 2HB CYS 52 -3.347 7.781 -7.816 394 H HIS 53 H HIS 53 -0.250 7.664 -6.197 395 HA HIS 53 HA HIS 53 -1.551 9.137 -3.967 396 1HB HIS 53 1HB HIS 53 0.342 6.726 -3.893 397 2HB HIS 53 2HB HIS 53 -0.697 7.366 -2.549 398 HD1 HIS 53 HD1 HIS 53 -3.378 7.439 -3.550 399 HD2 HIS 53 HD2 HIS 53 -0.762 4.431 -4.808 400 HE1 HIS 53 HE1 HIS 53 -4.859 5.490 -4.358 401 H THR 54 H THR 54 0.651 10.186 -5.924 402 HA THR 54 HA THR 54 2.555 11.353 -5.824 403 HB THR 54 HB THR 54 2.587 12.971 -3.885 404 HG1 THR 54 HG1 THR 54 1.866 11.678 -2.162 405 1HG2 THR 54 1HG2 THR 54 -0.145 12.303 -5.089 406 2HG2 THR 54 2HG2 THR 54 0.130 13.718 -4.044 407 3HG2 THR 54 3HG2 THR 54 0.975 13.586 -5.605 408 H ASN 55 H ASN 55 4.639 11.864 -4.492 409 HA ASN 55 HA ASN 55 5.951 9.528 -4.160 410 1HB ASN 55 1HB ASN 55 7.655 10.910 -2.869 411 2HB ASN 55 2HB ASN 55 7.158 11.640 -4.383 412 1HD2 ASN 55 2HD2 ASN 55 6.029 13.513 -4.419 413 2HD2 ASN 55 1HD2 ASN 55 5.678 14.483 -3.027 414 H ASN 56 H ASN 56 3.782 11.242 -1.969 415 HA ASN 56 HA ASN 56 4.395 9.254 0.069 416 1HB ASN 56 1HB ASN 56 4.977 11.896 0.419 417 2HB ASN 56 2HB ASN 56 3.295 11.934 0.908 418 1HD2 ASN 56 2HD2 ASN 56 3.445 12.173 3.037 419 2HD2 ASN 56 1HD2 ASN 56 4.223 11.082 4.134 420 HA PRO 57 HA PRO 57 0.031 8.499 -0.562 421 1HB PRO 57 1HB PRO 57 -0.281 6.609 1.386 422 2HB PRO 57 2HB PRO 57 0.668 6.296 -0.104 423 1HG PRO 57 1HG PRO 57 1.888 7.028 2.637 424 2HG PRO 57 2HG PRO 57 2.164 5.756 1.402 425 1HD PRO 57 1HD PRO 57 3.539 8.197 1.524 426 2HD PRO 57 2HD PRO 57 3.302 7.262 0.016 427 H ALA 58 H ALA 58 1.390 9.027 2.789 428 HA ALA 58 HA ALA 58 -0.999 9.642 4.019 429 1HB ALA 58 1HB ALA 58 1.328 11.258 4.860 430 2HB ALA 58 2HB ALA 58 1.669 9.517 4.706 431 3HB ALA 58 3HB ALA 58 0.363 10.077 5.779 432 H ASN 59 H ASN 59 0.713 11.331 1.512 433 HA ASN 59 HA ASN 59 -0.398 13.870 2.219 434 1HB ASN 59 1HB ASN 59 1.871 13.289 0.935 435 2HB ASN 59 2HB ASN 59 0.840 13.226 -0.480 436 1HD2 ASN 59 2HD2 ASN 59 2.953 15.066 0.056 437 2HD2 ASN 59 1HD2 ASN 59 2.296 16.668 0.090 438 H VAL 60 H VAL 60 -1.438 15.052 0.059 439 HA VAL 60 HA VAL 60 -3.784 13.509 -0.519 440 HB VAL 60 HB VAL 60 -2.846 16.279 -1.278 441 1HG1 VAL 60 1HG1 VAL 60 -5.402 14.816 -1.968 442 2HG1 VAL 60 2HG1 VAL 60 -5.308 16.593 -1.915 443 3HG1 VAL 60 3HG1 VAL 60 -4.285 15.682 -3.051 444 1HG2 VAL 60 1HG2 VAL 60 -4.112 15.159 1.060 445 2HG2 VAL 60 2HG2 VAL 60 -3.563 16.826 0.761 446 3HG2 VAL 60 3HG2 VAL 60 -5.204 16.330 0.282 447 H GLY 61 H GLY 61 -4.041 12.150 -2.211 448 1HA GLY 61 1HA GLY 61 -3.298 10.924 -4.000 449 2HA GLY 61 2HA GLY 61 -1.974 12.046 -4.247 450 H LYS 62 H LYS 62 -3.305 11.211 -6.490 451 HA LYS 62 HA LYS 62 -5.519 12.854 -7.136 452 1HB LYS 62 1HB LYS 62 -4.030 14.691 -7.203 453 2HB LYS 62 2HB LYS 62 -2.772 13.765 -7.997 454 1HG LYS 62 1HG LYS 62 -4.789 13.461 -9.826 455 2HG LYS 62 2HG LYS 62 -5.229 15.021 -9.161 456 1HD LYS 62 1HD LYS 62 -2.435 14.346 -10.193 457 2HD LYS 62 2HD LYS 62 -3.664 15.135 -11.161 458 1HE LYS 62 1HE LYS 62 -3.478 16.538 -8.638 459 2HE LYS 62 2HE LYS 62 -1.854 16.331 -9.263 460 1HZ LYS 62 1HZ LYS 62 -3.650 17.073 -11.307 461 2HZ LYS 62 2HZ LYS 62 -3.676 18.162 -10.091 462 3HZ LYS 62 3HZ LYS 62 -2.267 17.802 -10.834 463 H ASN 63 H ASN 63 -6.656 11.705 -8.605 464 HA ASN 63 HA ASN 63 -5.404 9.438 -9.755 465 1HB ASN 63 1HB ASN 63 -8.195 10.660 -9.917 466 2HB ASN 63 2HB ASN 63 -7.764 9.281 -10.909 467 1HD2 ASN 63 2HD2 ASN 63 -9.780 9.033 -9.161 468 2HD2 ASN 63 1HD2 ASN 63 -9.360 8.019 -7.822 469 H ILE 64 H ILE 64 -4.560 9.302 -11.861 470 HA ILE 64 HA ILE 64 -4.570 11.720 -13.431 471 HB ILE 64 HB ILE 64 -2.833 10.771 -14.640 472 1HG1 ILE 64 1HG1 ILE 64 -3.611 8.026 -13.614 473 2HG1 ILE 64 2HG1 ILE 64 -4.006 8.655 -15.201 474 1HG2 ILE 64 1HG2 ILE 64 -2.294 11.266 -12.260 475 2HG2 ILE 64 2HG2 ILE 64 -2.537 9.543 -11.887 476 3HG2 ILE 64 3HG2 ILE 64 -1.238 10.038 -12.999 477 1HD1 ILE 64 1HD1 ILE 64 -1.178 9.059 -14.743 478 2HD1 ILE 64 2HD1 ILE 64 -1.590 7.365 -14.381 479 3HD1 ILE 64 3HD1 ILE 64 -1.971 8.052 -15.979 480 H VAL 65 H VAL 65 -6.888 9.513 -12.925 481 HA VAL 65 HA VAL 65 -7.490 8.928 -15.697 482 HB VAL 65 HB VAL 65 -8.785 8.236 -13.059 483 1HG1 VAL 65 1HG1 VAL 65 -10.045 8.375 -15.601 484 2HG1 VAL 65 2HG1 VAL 65 -9.792 6.651 -15.235 485 3HG1 VAL 65 3HG1 VAL 65 -10.683 7.683 -14.090 486 1HG2 VAL 65 1HG2 VAL 65 -7.097 6.733 -15.063 487 2HG2 VAL 65 2HG2 VAL 65 -6.854 6.926 -13.310 488 3HG2 VAL 65 3HG2 VAL 65 -8.163 5.883 -13.917 489 H THR 66 H THR 66 -9.022 10.663 -12.895 490 HA THR 66 HA THR 66 -10.576 12.189 -14.875 491 HB THR 66 HB THR 66 -12.174 12.507 -13.002 492 HG1 THR 66 HG1 THR 66 -11.531 11.598 -10.945 493 1HG2 THR 66 1HG2 THR 66 -12.029 10.187 -14.293 494 2HG2 THR 66 2HG2 THR 66 -11.355 9.593 -12.756 495 3HG2 THR 66 3HG2 THR 66 -12.992 10.291 -12.800 496 H GLY 67 H GLY 67 -8.321 12.376 -12.115 497 1HA GLY 67 1HA GLY 67 -7.554 15.029 -12.940 498 2HA GLY 67 2HA GLY 67 -6.865 14.062 -11.652 499 H LYS 68 H LYS 68 -9.458 13.487 -10.313 500 HA LYS 68 HA LYS 68 -10.559 16.055 -9.650 501 1HB LYS 68 1HB LYS 68 -11.120 13.202 -8.896 502 2HB LYS 68 2HB LYS 68 -11.771 14.497 -7.912 503 1HG LYS 68 1HG LYS 68 -12.093 14.767 -10.889 504 2HG LYS 68 2HG LYS 68 -13.054 13.531 -10.101 505 1HD LYS 68 1HD LYS 68 -13.795 15.337 -8.423 506 2HD LYS 68 2HD LYS 68 -13.022 16.514 -9.465 507 1HE LYS 68 1HE LYS 68 -14.576 15.001 -11.251 508 2HE LYS 68 2HE LYS 68 -15.588 15.096 -9.824 509 1HZ LYS 68 1HZ LYS 68 -14.275 17.483 -10.884 510 2HZ LYS 68 2HZ LYS 68 -15.704 16.972 -11.487 511 3HZ LYS 68 3HZ LYS 68 -15.584 17.390 -9.913 512 H GLU 69 H GLU 69 -9.867 13.673 -7.111 513 HA GLU 69 HA GLU 69 -7.510 14.752 -6.190 514 1HB GLU 69 1HB GLU 69 -8.152 16.231 -4.407 515 2HB GLU 69 2HB GLU 69 -8.981 16.795 -5.845 516 1HG GLU 69 1HG GLU 69 -11.019 15.451 -5.114 517 2HG GLU 69 2HG GLU 69 -10.182 15.085 -3.618 518 H ILE 70 H ILE 70 -6.687 13.116 -4.956 519 HA ILE 70 HA ILE 70 -8.645 11.410 -3.584 520 HB ILE 70 HB ILE 70 -5.894 10.675 -4.588 521 1HG1 ILE 70 1HG1 ILE 70 -7.821 11.274 -6.289 522 2HG1 ILE 70 2HG1 ILE 70 -6.764 9.902 -6.551 523 1HG2 ILE 70 1HG2 ILE 70 -8.078 9.185 -3.165 524 2HG2 ILE 70 2HG2 ILE 70 -6.999 8.329 -4.293 525 3HG2 ILE 70 3HG2 ILE 70 -6.320 9.179 -2.884 526 1HD1 ILE 70 1HD1 ILE 70 -9.184 9.355 -4.883 527 2HD1 ILE 70 2HD1 ILE 70 -9.481 9.721 -6.599 528 3HD1 ILE 70 3HD1 ILE 70 -8.426 8.360 -6.149 529 HA PRO 71 HA PRO 71 -6.990 13.589 -0.034 530 1HB PRO 71 1HB PRO 71 -8.751 11.502 1.252 531 2HB PRO 71 2HB PRO 71 -8.690 13.281 1.476 532 1HG PRO 71 1HG PRO 71 -10.514 12.110 0.184 533 2HG PRO 71 2HG PRO 71 -10.170 13.771 -0.400 534 1HD PRO 71 1HD PRO 71 -9.571 11.127 -1.648 535 2HD PRO 71 2HD PRO 71 -9.554 12.754 -2.393 536 HA PRO 72 HA PRO 72 -3.714 11.262 1.712 537 1HB PRO 72 1HB PRO 72 -5.352 10.833 4.228 538 2HB PRO 72 2HB PRO 72 -3.674 11.429 4.014 539 1HG PRO 72 1HG PRO 72 -5.828 13.107 4.478 540 2HG PRO 72 2HG PRO 72 -4.274 13.455 3.652 541 1HD PRO 72 1HD PRO 72 -7.042 13.184 2.542 542 2HD PRO 72 2HD PRO 72 -5.598 13.942 1.804 543 H LEU 73 H LEU 73 -3.173 9.115 1.278 544 HA LEU 73 HA LEU 73 -5.385 7.258 1.082 545 1HB LEU 73 1HB LEU 73 -4.016 7.222 -0.791 546 2HB LEU 73 2HB LEU 73 -2.540 7.321 0.148 547 HG LEU 73 HG LEU 73 -3.403 4.939 1.030 548 1HD1 LEU 73 1HD1 LEU 73 -4.722 5.322 -1.653 549 2HD1 LEU 73 2HD1 LEU 73 -4.252 3.711 -1.059 550 3HD1 LEU 73 3HD1 LEU 73 -5.414 4.696 -0.138 551 1HD2 LEU 73 1HD2 LEU 73 -1.496 5.889 -0.898 552 2HD2 LEU 73 2HD2 LEU 73 -1.404 4.483 0.189 553 3HD2 LEU 73 3HD2 LEU 73 -2.147 4.317 -1.420 554 H ALA 74 H ALA 74 -2.567 7.988 3.121 555 HA ALA 74 HA ALA 74 -2.008 5.733 4.407 556 1HB ALA 74 1HB ALA 74 -0.930 7.699 5.121 557 2HB ALA 74 2HB ALA 74 -2.466 8.545 5.425 558 3HB ALA 74 3HB ALA 74 -1.931 7.249 6.522 559 HA PRO 75 HA PRO 75 -6.212 4.398 5.395 560 1HB PRO 75 1HB PRO 75 -4.700 1.859 5.893 561 2HB PRO 75 2HB PRO 75 -6.089 2.197 4.810 562 1HG PRO 75 1HG PRO 75 -3.555 1.798 3.704 563 2HG PRO 75 2HG PRO 75 -4.874 2.886 3.162 564 1HD PRO 75 1HD PRO 75 -2.427 3.501 4.913 565 2HD PRO 75 2HD PRO 75 -2.990 4.363 3.448 566 H ARG 76 H ARG 76 -3.207 4.625 7.193 567 HA ARG 76 HA ARG 76 -4.501 3.669 9.580 568 1HB ARG 76 1HB ARG 76 -2.097 3.077 9.046 569 2HB ARG 76 2HB ARG 76 -1.673 4.771 9.186 570 1HG ARG 76 1HG ARG 76 -3.192 3.878 11.532 571 2HG ARG 76 2HG ARG 76 -1.782 2.867 11.280 572 1HD ARG 76 1HD ARG 76 -0.896 4.613 12.590 573 2HD ARG 76 2HD ARG 76 -0.483 5.138 10.970 574 HE ARG 76 HE ARG 76 -2.106 6.859 11.107 575 1HH1 ARG 76 1HH1 ARG 76 -3.480 8.254 12.286 576 2HH1 ARG 76 2HH1 ARG 76 -4.031 7.797 13.862 577 1HH2 ARG 76 1HH2 ARG 76 -2.335 4.710 13.884 578 2HH2 ARG 76 2HH2 ARG 76 -3.376 5.767 14.778 579 H VAL 77 H VAL 77 -3.050 6.659 8.158 580 HA VAL 77 HA VAL 77 -3.240 8.339 10.311 581 HB VAL 77 HB VAL 77 -3.497 8.732 7.340 582 1HG1 VAL 77 1HG1 VAL 77 -4.321 10.600 9.394 583 2HG1 VAL 77 2HG1 VAL 77 -2.927 11.238 8.489 584 3HG1 VAL 77 3HG1 VAL 77 -4.403 10.752 7.622 585 1HG2 VAL 77 1HG2 VAL 77 -1.301 8.090 8.249 586 2HG2 VAL 77 2HG2 VAL 77 -1.276 9.738 7.577 587 3HG2 VAL 77 3HG2 VAL 77 -1.341 9.496 9.339 588 H ASN 78 H ASN 78 -5.783 7.336 7.960 589 HA ASN 78 HA ASN 78 -7.678 8.867 9.534 590 1HB ASN 78 1HB ASN 78 -8.352 7.365 6.976 591 2HB ASN 78 2HB ASN 78 -9.132 8.790 7.633 592 1HD2 ASN 78 2HD2 ASN 78 -8.564 8.972 5.110 593 2HD2 ASN 78 1HD2 ASN 78 -7.182 9.960 4.769 594 H THR 79 H THR 79 -9.293 7.774 10.743 595 HA THR 79 HA THR 79 -8.966 4.911 11.005 596 HB THR 79 HB THR 79 -9.165 6.287 13.025 597 HG1 THR 79 HG1 THR 79 -10.505 4.668 13.717 598 1HG2 THR 79 1HG2 THR 79 -11.731 7.255 11.679 599 2HG2 THR 79 2HG2 THR 79 -11.489 7.361 13.439 600 3HG2 THR 79 3HG2 THR 79 -10.406 8.245 12.337 601 H LYS 80 H LYS 80 -10.552 6.826 8.802 602 HA LYS 80 HA LYS 80 -12.859 5.027 8.686 603 1HB LYS 80 1HB LYS 80 -13.904 6.715 7.294 604 2HB LYS 80 2HB LYS 80 -13.359 7.427 8.799 605 1HG LYS 80 1HG LYS 80 -11.599 8.605 7.775 606 2HG LYS 80 2HG LYS 80 -11.476 7.478 6.439 607 1HD LYS 80 1HD LYS 80 -12.821 8.798 5.183 608 2HD LYS 80 2HD LYS 80 -14.120 8.593 6.341 609 1HE LYS 80 1HE LYS 80 -13.084 10.460 7.734 610 2HE LYS 80 2HE LYS 80 -11.925 10.716 6.445 611 1HZ LYS 80 1HZ LYS 80 -13.979 10.918 4.988 612 2HZ LYS 80 2HZ LYS 80 -14.814 11.124 6.377 613 3HZ LYS 80 3HZ LYS 80 -13.624 12.168 5.977 614 H ARG 81 H ARG 81 -10.098 4.215 7.990 615 HA ARG 81 HA ARG 81 -10.605 3.734 5.165 616 1HB ARG 81 1HB ARG 81 -8.021 4.413 6.607 617 2HB ARG 81 2HB ARG 81 -7.957 3.458 5.140 618 1HG ARG 81 1HG ARG 81 -9.571 6.021 5.163 619 2HG ARG 81 2HG ARG 81 -7.827 6.111 5.019 620 1HD ARG 81 1HD ARG 81 -8.302 4.185 3.151 621 2HD ARG 81 2HD ARG 81 -9.841 5.021 3.075 622 HE ARG 81 HE ARG 81 -7.465 6.771 2.989 623 1HH1 ARG 81 1HH1 ARG 81 -7.171 8.017 1.096 624 2HH1 ARG 81 2HH1 ARG 81 -8.111 7.677 -0.319 625 1HH2 ARG 81 1HH2 ARG 81 -9.891 5.013 1.143 626 2HH2 ARG 81 2HH2 ARG 81 -9.668 5.957 -0.291 627 H PHE 82 H PHE 82 -7.880 2.453 7.107 628 HA PHE 82 HA PHE 82 -8.500 -0.199 6.426 629 1HB PHE 82 1HB PHE 82 -6.589 1.385 8.132 630 2HB PHE 82 2HB PHE 82 -6.792 -0.282 8.631 631 HD1 PHE 82 HD1 PHE 82 -4.320 -0.427 8.111 632 HD2 PHE 82 HD2 PHE 82 -7.245 0.250 5.111 633 HE1 PHE 82 HE1 PHE 82 -2.684 -1.152 6.352 634 HE2 PHE 82 HE2 PHE 82 -5.608 -0.475 3.352 635 HZ PHE 82 HZ PHE 82 -3.347 -1.168 3.993 636 H THR 83 H THR 83 -10.880 0.023 7.210 637 HA THR 83 HA THR 83 -10.960 -0.992 9.966 638 HB THR 83 HB THR 83 -12.702 1.175 8.684 639 HG1 THR 83 HG1 THR 83 -11.773 2.270 10.611 640 1HG2 THR 83 1HG2 THR 83 -13.008 -0.442 11.254 641 2HG2 THR 83 2HG2 THR 83 -13.642 1.216 11.122 642 3HG2 THR 83 3HG2 THR 83 -14.255 -0.060 10.043 643 H ASP 84 H ASP 84 -10.737 -2.598 7.672 644 HA ASP 84 HA ASP 84 -12.968 -4.203 8.062 645 1HB ASP 84 1HB ASP 84 -14.056 -2.497 6.587 646 2HB ASP 84 2HB ASP 84 -12.831 -2.773 5.364 647 H ILE 85 H ILE 85 -10.555 -5.088 8.407 648 HA ILE 85 HA ILE 85 -8.762 -5.571 6.472 649 HB ILE 85 HB ILE 85 -9.707 -7.385 8.688 650 1HG1 ILE 85 1HG1 ILE 85 -7.278 -5.581 8.537 651 2HG1 ILE 85 2HG1 ILE 85 -8.800 -5.106 9.264 652 1HG2 ILE 85 1HG2 ILE 85 -7.424 -7.695 6.751 653 2HG2 ILE 85 2HG2 ILE 85 -7.332 -8.358 8.400 654 3HG2 ILE 85 3HG2 ILE 85 -8.619 -8.897 7.295 655 1HD1 ILE 85 1HD1 ILE 85 -7.893 -7.741 10.224 656 2HD1 ILE 85 2HD1 ILE 85 -6.721 -6.445 10.561 657 3HD1 ILE 85 3HD1 ILE 85 -8.394 -6.308 11.152 658 H ASP 86 H ASP 86 -11.750 -7.522 7.101 659 HA ASP 86 HA ASP 86 -11.491 -9.513 5.412 660 1HB ASP 86 1HB ASP 86 -13.698 -7.949 6.456 661 2HB ASP 86 2HB ASP 86 -14.069 -8.388 4.800 662 H LYS 87 H LYS 87 -12.771 -6.226 4.468 663 HA LYS 87 HA LYS 87 -12.168 -6.884 1.681 664 1HB LYS 87 1HB LYS 87 -14.240 -5.282 3.049 665 2HB LYS 87 2HB LYS 87 -13.568 -4.534 1.615 666 1HG LYS 87 1HG LYS 87 -14.607 -6.016 0.230 667 2HG LYS 87 2HG LYS 87 -14.071 -7.393 1.171 668 1HD LYS 87 1HD LYS 87 -15.907 -6.958 2.830 669 2HD LYS 87 2HD LYS 87 -16.453 -5.606 1.858 670 1HE LYS 87 1HE LYS 87 -16.384 -7.574 -0.059 671 2HE LYS 87 2HE LYS 87 -16.739 -8.542 1.358 672 1HZ LYS 87 1HZ LYS 87 -18.246 -6.094 0.996 673 2HZ LYS 87 2HZ LYS 87 -18.607 -7.355 0.023 674 3HZ LYS 87 3HZ LYS 87 -18.717 -7.517 1.645 675 H VAL 88 H VAL 88 -9.951 -6.521 1.537 676 HA VAL 88 HA VAL 88 -9.086 -3.977 1.038 677 HB VAL 88 HB VAL 88 -9.413 -4.333 3.800 678 1HG1 VAL 88 1HG1 VAL 88 -7.263 -5.649 3.694 679 2HG1 VAL 88 2HG1 VAL 88 -6.454 -4.157 3.160 680 3HG1 VAL 88 3HG1 VAL 88 -7.225 -4.227 4.763 681 1HG2 VAL 88 1HG2 VAL 88 -8.447 -2.285 1.918 682 2HG2 VAL 88 2HG2 VAL 88 -9.558 -2.143 3.302 683 3HG2 VAL 88 3HG2 VAL 88 -7.798 -2.121 3.568 684 H GLU 89 H GLU 89 -8.403 -7.244 2.304 685 HA GLU 89 HA GLU 89 -5.716 -7.209 1.433 686 1HB GLU 89 1HB GLU 89 -5.768 -9.630 1.980 687 2HB GLU 89 2HB GLU 89 -6.440 -8.661 3.277 688 1HG GLU 89 1HG GLU 89 -8.518 -9.585 3.052 689 2HG GLU 89 2HG GLU 89 -8.490 -9.447 1.305 690 H ASP 90 H ASP 90 -8.854 -7.905 -0.024 691 HA ASP 90 HA ASP 90 -7.714 -9.388 -2.173 692 1HB ASP 90 1HB ASP 90 -10.100 -9.058 -3.129 693 2HB ASP 90 2HB ASP 90 -9.947 -9.998 -1.658 694 H GLU 91 H GLU 91 -9.300 -6.154 -1.643 695 HA GLU 91 HA GLU 91 -9.148 -5.221 -4.194 696 1HB GLU 91 1HB GLU 91 -9.083 -3.868 -1.487 697 2HB GLU 91 2HB GLU 91 -8.932 -2.904 -2.943 698 1HG GLU 91 1HG GLU 91 -11.140 -4.925 -2.956 699 2HG GLU 91 2HG GLU 91 -11.333 -3.602 -1.824 700 H PHE 92 H PHE 92 -6.568 -5.893 -1.956 701 HA PHE 92 HA PHE 92 -4.716 -4.034 -3.097 702 1HB PHE 92 1HB PHE 92 -4.990 -5.918 -0.874 703 2HB PHE 92 2HB PHE 92 -3.492 -6.275 -1.710 704 HD1 PHE 92 HD1 PHE 92 -2.435 -3.723 -2.494 705 HD2 PHE 92 HD2 PHE 92 -4.523 -4.749 1.054 706 HE1 PHE 92 HE1 PHE 92 -1.309 -1.833 -1.286 707 HE2 PHE 92 HE2 PHE 92 -3.398 -2.859 2.263 708 HZ PHE 92 HZ PHE 92 -1.804 -1.424 1.079 709 H THR 93 H THR 93 -5.796 -7.346 -3.710 710 HA THR 93 HA THR 93 -3.463 -7.922 -5.346 711 HB THR 93 HB THR 93 -5.818 -9.404 -4.181 712 HG1 THR 93 HG1 THR 93 -3.987 -10.664 -3.537 713 1HG2 THR 93 1HG2 THR 93 -4.228 -10.252 -6.655 714 2HG2 THR 93 2HG2 THR 93 -5.079 -11.405 -5.599 715 3HG2 THR 93 3HG2 THR 93 -5.999 -10.173 -6.495 716 H LYS 94 H LYS 94 -6.867 -6.932 -5.673 717 HA LYS 94 HA LYS 94 -6.948 -7.454 -8.467 718 1HB LYS 94 1HB LYS 94 -8.733 -5.704 -6.750 719 2HB LYS 94 2HB LYS 94 -9.083 -6.255 -8.376 720 1HG LYS 94 1HG LYS 94 -9.356 -8.509 -7.704 721 2HG LYS 94 2HG LYS 94 -8.409 -8.298 -6.245 722 1HD LYS 94 1HD LYS 94 -10.220 -7.622 -5.030 723 2HD LYS 94 2HD LYS 94 -10.765 -6.528 -6.285 724 1HE LYS 94 1HE LYS 94 -12.117 -8.132 -7.303 725 2HE LYS 94 2HE LYS 94 -11.081 -9.465 -6.837 726 1HZ LYS 94 1HZ LYS 94 -12.296 -8.086 -4.642 727 2HZ LYS 94 2HZ LYS 94 -13.356 -8.847 -5.624 728 3HZ LYS 94 3HZ LYS 94 -12.151 -9.689 -4.914 729 H HIS 95 H HIS 95 -6.039 -4.806 -6.376 730 HA HIS 95 HA HIS 95 -5.977 -2.715 -8.340 731 1HB HIS 95 1HB HIS 95 -6.048 -2.507 -5.818 732 2HB HIS 95 2HB HIS 95 -4.297 -2.989 -5.791 733 HD1 HIS 95 HD1 HIS 95 -4.853 -0.887 -8.624 734 HD2 HIS 95 HD2 HIS 95 -4.263 -0.252 -4.536 735 HE1 HIS 95 HE1 HIS 95 -4.121 1.572 -8.377 736 H CYS 96 H CYS 96 -3.271 -4.622 -6.886 737 HA CYS 96 HA CYS 96 -1.237 -3.727 -8.593 738 1HB CYS 96 1HB CYS 96 -1.720 -6.208 -6.955 739 2HB CYS 96 2HB CYS 96 -0.320 -6.147 -8.054 740 H ASN 97 H ASN 97 -3.898 -6.029 -9.194 741 HA ASN 97 HA ASN 97 -2.608 -7.176 -11.432 742 1HB ASN 97 1HB ASN 97 -5.113 -7.501 -9.956 743 2HB ASN 97 2HB ASN 97 -5.451 -7.464 -11.675 744 1HD2 ASN 97 2HD2 ASN 97 -4.834 -9.437 -9.186 745 2HD2 ASN 97 1HD2 ASN 97 -4.097 -10.793 -9.973 746 H ASP 98 H ASP 98 -4.218 -4.194 -10.738 747 HA ASP 98 HA ASP 98 -4.839 -3.828 -13.561 748 1HB ASP 98 1HB ASP 98 -6.276 -3.201 -11.137 749 2HB ASP 98 2HB ASP 98 -5.857 -1.686 -11.911 750 H ILE 99 H ILE 99 -2.474 -3.301 -11.267 751 HA ILE 99 HA ILE 99 -1.789 -0.656 -12.349 752 HB ILE 99 HB ILE 99 -1.108 -1.896 -9.680 753 1HG1 ILE 99 1HG1 ILE 99 -3.458 -1.081 -9.967 754 2HG1 ILE 99 2HG1 ILE 99 -2.552 -0.280 -8.699 755 1HG2 ILE 99 1HG2 ILE 99 0.249 0.138 -11.191 756 2HG2 ILE 99 2HG2 ILE 99 -0.466 0.852 -9.725 757 3HG2 ILE 99 3HG2 ILE 99 0.640 -0.536 -9.590 758 1HD1 ILE 99 1HD1 ILE 99 -2.344 1.000 -11.385 759 2HD1 ILE 99 2HD1 ILE 99 -3.956 1.051 -10.633 760 3HD1 ILE 99 3HD1 ILE 99 -2.555 1.745 -9.783 761 H LEU 100 H LEU 100 -0.325 -3.713 -11.030 762 HA LEU 100 HA LEU 100 1.989 -3.224 -12.724 763 1HB LEU 100 1HB LEU 100 1.407 -5.118 -10.456 764 2HB LEU 100 2HB LEU 100 2.826 -5.287 -11.470 765 HG LEU 100 HG LEU 100 2.137 -2.874 -9.770 766 1HD1 LEU 100 1HD1 LEU 100 2.930 -5.133 -8.712 767 2HD1 LEU 100 2HD1 LEU 100 4.523 -4.637 -9.332 768 3HD1 LEU 100 3HD1 LEU 100 3.649 -3.590 -8.188 769 1HD2 LEU 100 1HD2 LEU 100 4.489 -3.414 -11.595 770 2HD2 LEU 100 2HD2 LEU 100 3.308 -2.086 -11.689 771 3HD2 LEU 100 3HD2 LEU 100 4.472 -2.148 -10.344 772 H GLY 101 H GLY 101 -1.017 -4.960 -12.674 773 1HA GLY 101 1HA GLY 101 -0.269 -6.275 -15.175 774 2HA GLY 101 2HA GLY 101 -1.883 -6.025 -14.541 775 H ALA 102 H ALA 102 -0.511 -6.967 -11.785 776 HA ALA 102 HA ALA 102 -1.445 -9.645 -12.035 777 1HB ALA 102 1HB ALA 102 1.256 -9.189 -12.738 778 2HB ALA 102 2HB ALA 102 1.292 -9.873 -11.094 779 3HB ALA 102 3HB ALA 102 0.475 -10.754 -12.407 780 H ASP 103 H ASP 103 -0.423 -10.795 -9.770 781 HA ASP 103 HA ASP 103 -1.480 -9.001 -7.790 782 1HB ASP 103 1HB ASP 103 -1.966 -11.581 -8.123 783 2HB ASP 103 2HB ASP 103 -0.455 -11.809 -7.265 784 H CYS 104 H CYS 104 -0.166 -7.879 -6.442 785 HA CYS 104 HA CYS 104 2.658 -7.882 -6.655 786 1HB CYS 104 1HB CYS 104 0.672 -6.775 -4.656 787 2HB CYS 104 2HB CYS 104 2.427 -6.598 -4.407 788 H SER 105 H SER 105 4.252 -8.410 -4.842 789 HA SER 105 HA SER 105 3.923 -11.071 -4.135 790 1HB SER 105 1HB SER 105 5.819 -9.437 -2.512 791 2HB SER 105 2HB SER 105 6.099 -10.927 -3.390 792 HG SER 105 HG SER 105 5.829 -9.486 -5.395 793 HA PRO 106 HA PRO 106 1.865 -10.819 -0.234 794 1HB PRO 106 1HB PRO 106 2.787 -13.079 0.996 795 2HB PRO 106 2HB PRO 106 1.780 -13.142 -0.487 796 1HG PRO 106 1HG PRO 106 4.898 -13.632 -0.416 797 2HG PRO 106 2HG PRO 106 3.338 -14.200 -1.096 798 1HD PRO 106 1HD PRO 106 5.196 -12.185 -2.145 799 2HD PRO 106 2HD PRO 106 3.660 -12.752 -2.868 800 H SER 107 H SER 107 5.437 -10.901 -0.361 801 HA SER 107 HA SER 107 5.563 -10.199 2.427 802 1HB SER 107 1HB SER 107 7.345 -11.385 0.492 803 2HB SER 107 2HB SER 107 8.113 -9.940 1.118 804 HG SER 107 HG SER 107 7.642 -12.375 2.370 805 H GLU 108 H GLU 108 5.015 -8.646 -0.539 806 HA GLU 108 HA GLU 108 6.446 -6.255 0.242 807 1HB GLU 108 1HB GLU 108 6.148 -5.496 -1.987 808 2HB GLU 108 2HB GLU 108 6.448 -7.214 -2.151 809 1HG GLU 108 1HG GLU 108 4.472 -7.447 -3.233 810 2HG GLU 108 2HG GLU 108 3.627 -6.941 -1.783 811 H LYS 109 H LYS 109 3.282 -7.720 0.337 812 HA LYS 109 HA LYS 109 1.795 -5.295 0.356 813 1HB LYS 109 1HB LYS 109 1.129 -7.833 -0.134 814 2HB LYS 109 2HB LYS 109 0.743 -7.813 1.574 815 1HG LYS 109 1HG LYS 109 -1.278 -7.028 0.768 816 2HG LYS 109 2HG LYS 109 -0.452 -5.490 0.916 817 1HD LYS 109 1HD LYS 109 -1.414 -5.515 -1.289 818 2HD LYS 109 2HD LYS 109 0.307 -5.756 -1.510 819 1HE LYS 109 1HE LYS 109 -0.907 -7.355 -2.916 820 2HE LYS 109 2HE LYS 109 -0.066 -8.234 -1.655 821 1HZ LYS 109 1HZ LYS 109 -2.514 -7.580 -0.619 822 2HZ LYS 109 2HZ LYS 109 -2.819 -8.087 -2.141 823 3HZ LYS 109 3HZ LYS 109 -2.015 -9.058 -1.103 824 H ALA 110 H ALA 110 3.000 -7.592 2.884 825 HA ALA 110 HA ALA 110 1.933 -6.214 5.054 826 1HB ALA 110 1HB ALA 110 3.590 -8.477 4.537 827 2HB ALA 110 2HB ALA 110 2.792 -8.026 6.063 828 3HB ALA 110 3HB ALA 110 4.444 -7.459 5.721 829 H ASN 111 H ASN 111 5.069 -5.895 3.295 830 HA ASN 111 HA ASN 111 6.362 -4.229 4.959 831 1HB ASN 111 1HB ASN 111 7.486 -4.956 2.961 832 2HB ASN 111 2HB ASN 111 6.215 -4.348 1.919 833 1HD2 ASN 111 2HD2 ASN 111 7.467 -2.608 4.694 834 2HD2 ASN 111 1HD2 ASN 111 8.262 -1.328 3.840 835 H PHE 112 H PHE 112 4.386 -3.171 2.072 836 HA PHE 112 HA PHE 112 4.358 -0.497 2.579 837 1HB PHE 112 1HB PHE 112 3.441 -1.874 0.595 838 2HB PHE 112 2HB PHE 112 2.048 -2.270 1.582 839 HD1 PHE 112 HD1 PHE 112 0.154 -1.058 1.126 840 HD2 PHE 112 HD2 PHE 112 3.923 0.826 0.626 841 HE1 PHE 112 HE1 PHE 112 -0.995 1.033 0.344 842 HE2 PHE 112 HE2 PHE 112 2.775 2.916 -0.156 843 HZ PHE 112 HZ PHE 112 0.330 2.995 -0.288 844 H ILE 113 H ILE 113 2.066 -3.016 3.814 845 HA ILE 113 HA ILE 113 0.305 -1.310 5.076 846 HB ILE 113 HB ILE 113 1.109 -4.157 5.356 847 1HG1 ILE 113 1HG1 ILE 113 -1.727 -3.499 5.277 848 2HG1 ILE 113 2HG1 ILE 113 -0.854 -2.720 3.973 849 1HG2 ILE 113 1HG2 ILE 113 -0.634 -2.726 7.380 850 2HG2 ILE 113 2HG2 ILE 113 -0.465 -4.491 7.223 851 3HG2 ILE 113 3HG2 ILE 113 0.939 -3.500 7.685 852 1HD1 ILE 113 1HD1 ILE 113 -0.026 -5.531 4.428 853 2HD1 ILE 113 2HD1 ILE 113 -1.727 -5.343 3.939 854 3HD1 ILE 113 3HD1 ILE 113 -0.428 -4.695 2.908 855 H ALA 114 H ALA 114 3.580 -2.346 5.969 856 HA ALA 114 HA ALA 114 3.359 -1.479 8.676 857 1HB ALA 114 1HB ALA 114 5.694 -2.022 8.787 858 2HB ALA 114 2HB ALA 114 4.935 -3.243 7.738 859 3HB ALA 114 3HB ALA 114 5.870 -1.910 7.019 860 H TYR 115 H TYR 115 5.169 -0.263 5.825 861 HA TYR 115 HA TYR 115 6.035 2.161 6.871 862 1HB TYR 115 1HB TYR 115 6.087 0.882 4.428 863 2HB TYR 115 2HB TYR 115 5.088 2.305 4.086 864 HD1 TYR 115 HD1 TYR 115 8.436 1.104 5.025 865 HD2 TYR 115 HD2 TYR 115 6.012 4.562 4.243 866 HE1 TYR 115 HE1 TYR 115 10.480 2.497 4.847 867 HE2 TYR 115 HE2 TYR 115 8.056 5.955 4.065 868 HH TYR 115 HH TYR 115 11.163 4.901 5.041 869 H LEU 116 H LEU 116 2.764 1.256 5.680 870 HA LEU 116 HA LEU 116 1.859 3.954 5.633 871 1HB LEU 116 1HB LEU 116 0.698 1.245 5.264 872 2HB LEU 116 2HB LEU 116 -0.404 2.523 5.737 873 HG LEU 116 HG LEU 116 1.305 2.380 3.248 874 1HD1 LEU 116 1HD1 LEU 116 -1.568 2.019 3.886 875 2HD1 LEU 116 2HD1 LEU 116 -1.191 2.918 2.397 876 3HD1 LEU 116 3HD1 LEU 116 -0.560 1.269 2.625 877 1HD2 LEU 116 1HD2 LEU 116 0.059 4.747 4.570 878 2HD2 LEU 116 2HD2 LEU 116 1.547 4.618 3.601 879 3HD2 LEU 116 3HD2 LEU 116 -0.041 4.625 2.797 880 H LEU 117 H LEU 117 1.796 1.229 7.983 881 HA LEU 117 HA LEU 117 0.390 2.921 9.879 882 1HB LEU 117 1HB LEU 117 -0.056 1.011 11.081 883 2HB LEU 117 2HB LEU 117 -0.126 0.467 9.417 884 HG LEU 117 HG LEU 117 2.456 -0.109 9.938 885 1HD1 LEU 117 1HD1 LEU 117 1.403 0.540 12.498 886 2HD1 LEU 117 2HD1 LEU 117 1.685 -1.217 12.454 887 3HD1 LEU 117 3HD1 LEU 117 3.014 -0.093 12.082 888 1HD2 LEU 117 1HD2 LEU 117 0.234 -1.516 9.330 889 2HD2 LEU 117 2HD2 LEU 117 1.815 -2.256 9.681 890 3HD2 LEU 117 3HD2 LEU 117 0.575 -2.158 10.955 891 H THR 118 H THR 118 3.234 3.398 8.821 892 HA THR 118 HA THR 118 4.648 3.189 11.392 893 HB THR 118 HB THR 118 5.488 3.276 8.469 894 HG1 THR 118 HG1 THR 118 6.388 1.296 9.200 895 1HG2 THR 118 1HG2 THR 118 6.914 4.465 10.755 896 2HG2 THR 118 2HG2 THR 118 7.806 3.084 10.073 897 3HG2 THR 118 3HG2 THR 118 7.367 4.459 9.033 898 H GLU 119 H GLU 119 4.744 5.469 8.576 899 HA GLU 119 HA GLU 119 5.464 7.595 10.200 900 1HB GLU 119 1HB GLU 119 5.288 8.931 8.239 901 2HB GLU 119 2HB GLU 119 5.731 7.339 7.657 902 1HG GLU 119 1HG GLU 119 3.085 6.993 7.508 903 2HG GLU 119 2HG GLU 119 3.060 8.745 7.483 904 H THR 120 H THR 120 4.294 8.935 11.520 905 HA THR 120 HA THR 120 1.362 8.818 11.238 906 HB THR 120 HB THR 120 1.386 9.228 13.735 907 HG1 THR 120 HG1 THR 120 3.440 10.164 14.032 908 1HG2 THR 120 1HG2 THR 120 2.481 6.807 12.415 909 2HG2 THR 120 2HG2 THR 120 3.040 7.003 14.094 910 3HG2 THR 120 3HG2 THR 120 1.297 6.930 13.739 911 H LYS 121 H LYS 121 2.739 10.544 9.566 912 HA LYS 121 HA LYS 121 1.526 12.964 10.219 913 1HB LYS 121 1HB LYS 121 3.444 14.390 10.693 914 2HB LYS 121 2HB LYS 121 3.251 13.169 11.935 915 1HG LYS 121 1HG LYS 121 4.924 11.916 10.057 916 2HG LYS 121 2HG LYS 121 5.478 13.578 10.041 917 1HD LYS 121 1HD LYS 121 5.034 12.872 12.791 918 2HD LYS 121 2HD LYS 121 5.919 11.547 12.061 919 1HE LYS 121 1HE LYS 121 7.800 12.797 12.321 920 2HE LYS 121 2HE LYS 121 7.206 13.818 11.026 921 1HZ LYS 121 1HZ LYS 121 5.852 14.668 13.202 922 2HZ LYS 121 2HZ LYS 121 7.339 14.357 13.801 923 3HZ LYS 121 3HZ LYS 121 7.163 15.394 12.553 924 HA PRO 122 HA PRO 122 2.083 13.335 5.906 925 1HB PRO 122 1HB PRO 122 1.712 16.056 5.627 926 2HB PRO 122 2HB PRO 122 0.391 14.917 6.045 927 1HG PRO 122 1HG PRO 122 2.020 16.712 7.950 928 2HG PRO 122 2HG PRO 122 0.266 16.398 7.744 929 1HD PRO 122 1HD PRO 122 1.892 15.088 9.596 930 2HD PRO 122 2HD PRO 122 0.436 14.343 8.869 931 H THR 123 H THR 123 3.483 14.566 4.222 932 HA THR 123 HA THR 123 6.162 14.594 5.176 933 HB THR 123 HB THR 123 4.719 15.125 2.550 934 HG1 THR 123 HG1 THR 123 5.221 12.969 2.639 935 1HG2 THR 123 1HG2 THR 123 6.895 16.594 2.886 936 2HG2 THR 123 2HG2 THR 123 7.747 15.034 2.810 937 3HG2 THR 123 3HG2 THR 123 6.767 15.581 1.429 938 H LYS 124 H LYS 124 4.057 17.207 3.786 939 HA LYS 124 HA LYS 124 4.418 19.422 3.799 940 1HB LYS 124 1HB LYS 124 3.874 20.360 5.887 941 2HB LYS 124 2HB LYS 124 3.126 18.776 5.885 942 1HG LYS 124 1HG LYS 124 4.397 18.057 7.635 943 2HG LYS 124 2HG LYS 124 5.878 18.649 6.910 944 1HD LYS 124 1HD LYS 124 4.576 21.013 7.639 945 2HD LYS 124 2HD LYS 124 4.137 19.923 8.939 946 1HE LYS 124 1HE LYS 124 6.178 20.823 9.708 947 2HE LYS 124 2HE LYS 124 6.687 19.301 9.005 948 1HZ LYS 124 1HZ LYS 124 7.003 20.671 6.907 949 2HZ LYS 124 2HZ LYS 124 6.948 21.982 7.880 950 3HZ LYS 124 3HZ LYS 124 8.103 20.849 8.101 No H/Q in entry = 950 Start of MODEL 15 1 H1 ASP 1 H1 ASP 1 -8.074 0.227 15.059 2 H2 ASP 1 H2 ASP 1 -7.375 1.723 15.183 3 H3 ASP 1 H3 ASP 1 -8.931 1.578 14.634 4 HA ASP 1 HA ASP 1 -8.354 0.624 12.708 5 1HB ASP 1 1HB ASP 1 -7.283 3.152 13.490 6 2HB ASP 1 2HB ASP 1 -6.028 2.381 12.540 7 H VAL 2 H VAL 2 -5.366 1.258 14.701 8 HA VAL 2 HA VAL 2 -3.580 -0.217 13.231 9 HB VAL 2 HB VAL 2 -3.785 0.334 16.192 10 1HG1 VAL 2 1HG1 VAL 2 -1.533 -0.942 14.616 11 2HG1 VAL 2 2HG1 VAL 2 -1.300 -0.173 16.204 12 3HG1 VAL 2 3HG1 VAL 2 -2.377 -1.581 16.047 13 1HG2 VAL 2 1HG2 VAL 2 -3.141 1.956 13.955 14 2HG2 VAL 2 2HG2 VAL 2 -3.022 2.365 15.683 15 3HG2 VAL 2 3HG2 VAL 2 -1.623 1.660 14.837 16 H THR 3 H THR 3 -5.966 -1.276 15.703 17 HA THR 3 HA THR 3 -5.183 -3.803 16.230 18 HB THR 3 HB THR 3 -7.934 -2.599 15.671 19 HG1 THR 3 HG1 THR 3 -7.425 -1.935 17.718 20 1HG2 THR 3 1HG2 THR 3 -7.144 -5.349 16.733 21 2HG2 THR 3 2HG2 THR 3 -8.663 -4.562 17.224 22 3HG2 THR 3 3HG2 THR 3 -8.381 -4.960 15.513 23 H ASN 4 H ASN 4 -6.834 -2.707 13.215 24 HA ASN 4 HA ASN 4 -6.836 -5.345 12.190 25 1HB ASN 4 1HB ASN 4 -7.056 -2.914 10.401 26 2HB ASN 4 2HB ASN 4 -7.964 -4.411 10.333 27 1HD2 ASN 4 2HD2 ASN 4 -8.530 -4.524 13.159 28 2HD2 ASN 4 1HD2 ASN 4 -9.739 -3.335 13.511 29 H ALA 5 H ALA 5 -5.012 -2.256 11.601 30 HA ALA 5 HA ALA 5 -3.423 -3.026 9.521 31 1HB ALA 5 1HB ALA 5 -2.422 -1.034 9.932 32 2HB ALA 5 2HB ALA 5 -2.040 -1.467 11.615 33 3HB ALA 5 3HB ALA 5 -3.657 -0.849 11.200 34 H GLU 6 H GLU 6 -2.848 -3.506 13.070 35 HA GLU 6 HA GLU 6 -0.397 -4.722 12.786 36 1HB GLU 6 1HB GLU 6 -0.992 -4.023 14.966 37 2HB GLU 6 2HB GLU 6 -2.558 -4.806 14.902 38 1HG GLU 6 1HG GLU 6 -1.036 -6.081 16.364 39 2HG GLU 6 2HG GLU 6 -1.467 -7.042 14.963 40 H LYS 7 H LYS 7 -3.736 -6.054 12.664 41 HA LYS 7 HA LYS 7 -3.058 -8.748 12.723 42 1HB LYS 7 1HB LYS 7 -5.337 -7.747 13.009 43 2HB LYS 7 2HB LYS 7 -5.390 -7.455 11.282 44 1HG LYS 7 1HG LYS 7 -6.341 -9.544 11.216 45 2HG LYS 7 2HG LYS 7 -4.676 -10.091 11.258 46 1HD LYS 7 1HD LYS 7 -4.938 -11.013 13.319 47 2HD LYS 7 2HD LYS 7 -5.622 -9.536 13.969 48 1HE LYS 7 1HE LYS 7 -7.751 -10.338 13.817 49 2HE LYS 7 2HE LYS 7 -7.519 -10.858 12.160 50 1HZ LYS 7 1HZ LYS 7 -6.245 -12.760 13.141 51 2HZ LYS 7 2HZ LYS 7 -6.838 -12.327 14.599 52 3HZ LYS 7 3HZ LYS 7 -7.857 -12.775 13.404 53 H LEU 8 H LEU 8 -3.481 -6.481 9.926 54 HA LEU 8 HA LEU 8 -2.991 -8.318 7.930 55 1HB LEU 8 1HB LEU 8 -2.436 -5.357 8.100 56 2HB LEU 8 2HB LEU 8 -2.249 -6.290 6.629 57 HG LEU 8 HG LEU 8 -4.729 -5.439 8.049 58 1HD1 LEU 8 1HD1 LEU 8 -3.471 -4.809 5.646 59 2HD1 LEU 8 2HD1 LEU 8 -4.856 -5.820 5.171 60 3HD1 LEU 8 3HD1 LEU 8 -5.117 -4.354 6.147 61 1HD2 LEU 8 1HD2 LEU 8 -4.435 -8.064 6.598 62 2HD2 LEU 8 2HD2 LEU 8 -5.202 -7.724 8.168 63 3HD2 LEU 8 3HD2 LEU 8 -5.987 -7.196 6.660 64 H VAL 9 H VAL 9 -0.644 -6.174 9.682 65 HA VAL 9 HA VAL 9 1.623 -7.025 8.367 66 HB VAL 9 HB VAL 9 1.210 -6.118 11.221 67 1HG1 VAL 9 1HG1 VAL 9 3.757 -6.414 9.599 68 2HG1 VAL 9 2HG1 VAL 9 3.635 -5.457 11.095 69 3HG1 VAL 9 3HG1 VAL 9 3.343 -7.213 11.135 70 1HG2 VAL 9 1HG2 VAL 9 0.474 -4.580 9.354 71 2HG2 VAL 9 2HG2 VAL 9 1.714 -3.916 10.445 72 3HG2 VAL 9 3HG2 VAL 9 2.176 -4.517 8.835 73 H TYR 10 H TYR 10 0.000 -8.329 11.264 74 HA TYR 10 HA TYR 10 1.894 -10.512 11.550 75 1HB TYR 10 1HB TYR 10 0.489 -9.332 13.364 76 2HB TYR 10 2HB TYR 10 -0.863 -10.316 12.776 77 HD1 TYR 10 HD1 TYR 10 -0.916 -12.724 13.127 78 HD2 TYR 10 HD2 TYR 10 2.381 -10.351 14.524 79 HE1 TYR 10 HE1 TYR 10 -0.157 -14.613 14.544 80 HE2 TYR 10 HE2 TYR 10 3.139 -12.240 15.941 81 HH TYR 10 HH TYR 10 1.480 -15.402 15.940 82 H LYS 11 H LYS 11 -0.283 -9.932 9.126 83 HA LYS 11 HA LYS 11 -1.100 -12.751 9.029 84 1HB LYS 11 1HB LYS 11 -2.441 -10.208 8.239 85 2HB LYS 11 2HB LYS 11 -2.695 -11.596 7.200 86 1HG LYS 11 1HG LYS 11 -3.051 -11.730 10.226 87 2HG LYS 11 2HG LYS 11 -4.362 -11.306 9.142 88 1HD LYS 11 1HD LYS 11 -4.420 -13.454 8.147 89 2HD LYS 11 2HD LYS 11 -2.771 -13.827 8.609 90 1HE LYS 11 1HE LYS 11 -3.962 -13.444 11.087 91 2HE LYS 11 2HE LYS 11 -5.286 -14.133 10.169 92 1HZ LYS 11 1HZ LYS 11 -2.597 -15.300 10.390 93 2HZ LYS 11 2HZ LYS 11 -3.929 -15.827 11.174 94 3HZ LYS 11 3HZ LYS 11 -3.839 -15.945 9.548 95 H TYR 12 H TYR 12 -0.598 -10.099 6.677 96 HA TYR 12 HA TYR 12 0.244 -11.671 4.539 97 1HB TYR 12 1HB TYR 12 1.056 -8.856 5.331 98 2HB TYR 12 2HB TYR 12 1.368 -9.580 3.744 99 HD1 TYR 12 HD1 TYR 12 -0.543 -10.180 2.250 100 HD2 TYR 12 HD2 TYR 12 -1.095 -7.993 5.906 101 HE1 TYR 12 HE1 TYR 12 -2.786 -9.455 1.478 102 HE2 TYR 12 HE2 TYR 12 -3.337 -7.269 5.134 103 HH TYR 12 HH TYR 12 -4.629 -6.998 3.037 104 H THR 13 H THR 13 1.967 -10.894 7.524 105 HA THR 13 HA THR 13 4.565 -11.365 6.400 106 HB THR 13 HB THR 13 3.465 -11.123 9.248 107 HG1 THR 13 HG1 THR 13 5.072 -9.450 7.448 108 1HG2 THR 13 1HG2 THR 13 6.224 -11.653 8.170 109 2HG2 THR 13 2HG2 THR 13 6.081 -10.387 9.413 110 3HG2 THR 13 3HG2 THR 13 5.543 -12.047 9.766 111 H ASN 14 H ASN 14 2.235 -13.253 8.420 112 HA ASN 14 HA ASN 14 3.887 -15.446 8.683 113 1HB ASN 14 1HB ASN 14 1.822 -15.106 10.029 114 2HB ASN 14 2HB ASN 14 0.829 -15.267 8.594 115 1HD2 ASN 14 2HD2 ASN 14 0.057 -16.874 10.399 116 2HD2 ASN 14 1HD2 ASN 14 0.589 -18.511 10.207 117 H ILE 15 H ILE 15 1.154 -14.732 6.378 118 HA ILE 15 HA ILE 15 1.211 -17.052 4.926 119 HB ILE 15 HB ILE 15 0.408 -14.235 4.391 120 1HG1 ILE 15 1HG1 ILE 15 -1.353 -16.578 3.894 121 2HG1 ILE 15 2HG1 ILE 15 -0.855 -16.323 5.554 122 1HG2 ILE 15 1HG2 ILE 15 0.924 -16.301 2.291 123 2HG2 ILE 15 2HG2 ILE 15 -0.502 -15.248 2.132 124 3HG2 ILE 15 3HG2 ILE 15 1.125 -14.533 2.237 125 1HD1 ILE 15 1HD1 ILE 15 -1.923 -14.024 3.877 126 2HD1 ILE 15 2HD1 ILE 15 -3.016 -15.126 4.750 127 3HD1 ILE 15 3HD1 ILE 15 -1.830 -14.151 5.650 128 H ALA 16 H ALA 16 3.229 -14.082 4.544 129 HA ALA 16 HA ALA 16 4.559 -14.984 2.241 130 1HB ALA 16 1HB ALA 16 5.036 -12.894 4.366 131 2HB ALA 16 2HB ALA 16 4.676 -12.682 2.636 132 3HB ALA 16 3HB ALA 16 6.290 -13.230 3.148 133 H HIS 17 H HIS 17 5.103 -15.408 5.762 134 HA HIS 17 HA HIS 17 7.663 -16.563 5.426 135 1HB HIS 17 1HB HIS 17 6.676 -15.415 7.491 136 2HB HIS 17 2HB HIS 17 5.817 -16.912 7.794 137 HD1 HIS 17 HD1 HIS 17 9.477 -16.212 6.834 138 HD2 HIS 17 HD2 HIS 17 7.206 -18.263 9.703 139 HE1 HIS 17 HE1 HIS 17 11.148 -17.394 8.356 140 H SER 18 H SER 18 4.334 -17.704 5.212 141 HA SER 18 HA SER 18 4.955 -20.412 5.655 142 1HB SER 18 1HB SER 18 2.681 -19.546 5.980 143 2HB SER 18 2HB SER 18 2.582 -19.060 4.299 144 HG SER 18 HG SER 18 1.587 -21.219 5.024 145 H ALA 19 H ALA 19 5.189 -18.191 2.937 146 HA ALA 19 HA ALA 19 5.366 -20.367 1.017 147 1HB ALA 19 1HB ALA 19 4.315 -17.847 0.873 148 2HB ALA 19 2HB ALA 19 5.939 -17.571 0.198 149 3HB ALA 19 3HB ALA 19 4.863 -18.783 -0.539 150 H ASN 20 H ASN 20 7.361 -17.977 2.777 151 HA ASN 20 HA ASN 20 9.673 -19.425 1.786 152 1HB ASN 20 1HB ASN 20 9.091 -16.908 0.835 153 2HB ASN 20 2HB ASN 20 10.021 -16.479 2.257 154 1HD2 ASN 20 2HD2 ASN 20 11.894 -18.342 2.507 155 2HD2 ASN 20 1HD2 ASN 20 12.955 -18.409 1.140 156 HA PRO 21 HA PRO 21 10.191 -19.234 6.256 157 1HB PRO 21 1HB PRO 21 12.078 -21.171 6.453 158 2HB PRO 21 2HB PRO 21 10.393 -21.562 5.977 159 1HG PRO 21 1HG PRO 21 12.733 -21.005 4.355 160 2HG PRO 21 2HG PRO 21 11.742 -22.460 4.009 161 1HD PRO 21 1HD PRO 21 11.452 -20.236 2.509 162 2HD PRO 21 2HD PRO 21 9.992 -21.112 3.061 163 H MET 22 H MET 22 11.378 -17.125 4.598 164 HA MET 22 HA MET 22 13.833 -16.867 6.108 165 1HB MET 22 1HB MET 22 13.622 -16.285 3.102 166 2HB MET 22 2HB MET 22 15.065 -16.110 4.080 167 1HG MET 22 1HG MET 22 14.393 -18.743 4.605 168 2HG MET 22 2HG MET 22 13.830 -18.579 2.953 169 1HE MET 22 1HE MET 22 16.460 -18.657 5.444 170 2HE MET 22 2HE MET 22 16.912 -20.085 4.483 171 3HE MET 22 3HE MET 22 18.017 -18.694 4.582 172 H TYR 23 H TYR 23 11.250 -15.757 6.491 173 HA TYR 23 HA TYR 23 11.931 -12.901 6.320 174 1HB TYR 23 1HB TYR 23 10.677 -13.397 4.241 175 2HB TYR 23 2HB TYR 23 9.344 -14.044 5.213 176 HD1 TYR 23 HD1 TYR 23 7.546 -12.643 5.582 177 HD2 TYR 23 HD2 TYR 23 11.445 -10.925 5.037 178 HE1 TYR 23 HE1 TYR 23 6.569 -10.370 5.755 179 HE2 TYR 23 HE2 TYR 23 10.468 -8.652 5.209 180 HH TYR 23 HH TYR 23 7.987 -7.613 4.773 181 H GLU 24 H GLU 24 11.688 -12.165 8.409 182 HA GLU 24 HA GLU 24 9.782 -13.609 10.042 183 1HB GLU 24 1HB GLU 24 12.102 -11.752 10.672 184 2HB GLU 24 2HB GLU 24 10.932 -12.190 11.900 185 1HG GLU 24 1HG GLU 24 11.932 -14.518 10.359 186 2HG GLU 24 2HG GLU 24 13.198 -13.667 11.224 187 H ALA 25 H ALA 25 10.685 -10.256 9.021 188 HA ALA 25 HA ALA 25 7.970 -9.456 8.996 189 1HB ALA 25 1HB ALA 25 9.464 -9.154 11.486 190 2HB ALA 25 2HB ALA 25 8.943 -7.579 10.843 191 3HB ALA 25 3HB ALA 25 7.741 -8.855 11.154 192 HA PRO 26 HA PRO 26 9.574 -6.239 6.487 193 1HB PRO 26 1HB PRO 26 8.165 -4.087 7.979 194 2HB PRO 26 2HB PRO 26 7.846 -4.771 6.351 195 1HG PRO 26 1HG PRO 26 6.073 -5.309 8.485 196 2HG PRO 26 2HG PRO 26 6.401 -6.436 7.128 197 1HD PRO 26 1HD PRO 26 7.707 -6.265 9.898 198 2HD PRO 26 2HD PRO 26 7.060 -7.706 9.056 199 H SER 27 H SER 27 10.380 -3.624 6.794 200 HA SER 27 HA SER 27 11.837 -3.379 9.233 201 1HB SER 27 1HB SER 27 13.101 -4.686 7.063 202 2HB SER 27 2HB SER 27 13.748 -3.057 7.040 203 HG SER 27 HG SER 27 13.813 -3.663 9.595 204 H ILE 28 H ILE 28 9.735 -2.001 7.530 205 HA ILE 28 HA ILE 28 9.278 -0.022 6.606 206 HB ILE 28 HB ILE 28 10.015 1.895 8.030 207 1HG1 ILE 28 1HG1 ILE 28 11.419 -0.232 9.671 208 2HG1 ILE 28 2HG1 ILE 28 12.241 0.912 8.629 209 1HG2 ILE 28 1HG2 ILE 28 8.464 -0.461 8.819 210 2HG2 ILE 28 2HG2 ILE 28 9.042 0.505 10.197 211 3HG2 ILE 28 3HG2 ILE 28 8.065 1.270 8.921 212 1HD1 ILE 28 1HD1 ILE 28 10.459 2.476 10.200 213 2HD1 ILE 28 2HD1 ILE 28 11.210 1.310 11.317 214 3HD1 ILE 28 3HD1 ILE 28 12.232 2.392 10.340 215 H THR 29 H THR 29 11.082 -1.228 4.978 216 HA THR 29 HA THR 29 12.788 1.036 4.204 217 HB THR 29 HB THR 29 13.535 -1.931 4.373 218 HG1 THR 29 HG1 THR 29 14.550 0.581 5.507 219 1HG2 THR 29 1HG2 THR 29 14.952 0.491 3.168 220 2HG2 THR 29 2HG2 THR 29 15.856 -0.916 3.778 221 3HG2 THR 29 3HG2 THR 29 14.708 -1.111 2.431 222 H ASP 30 H ASP 30 11.347 -2.123 3.166 223 HA ASP 30 HA ASP 30 11.626 -1.705 0.489 224 1HB ASP 30 1HB ASP 30 10.394 -3.585 2.163 225 2HB ASP 30 2HB ASP 30 9.046 -2.947 1.242 226 H GLY 31 H GLY 31 9.108 -0.613 2.825 227 1HA GLY 31 1HA GLY 31 7.309 0.733 2.608 228 2HA GLY 31 2HA GLY 31 7.302 0.426 0.883 229 H LYS 32 H LYS 32 9.533 1.429 -0.195 230 HA LYS 32 HA LYS 32 9.230 4.249 0.273 231 1HB LYS 32 1HB LYS 32 11.332 2.863 1.595 232 2HB LYS 32 2HB LYS 32 12.065 3.772 0.289 233 1HG LYS 32 1HG LYS 32 10.077 4.982 2.266 234 2HG LYS 32 2HG LYS 32 11.814 5.049 2.484 235 1HD LYS 32 1HD LYS 32 12.016 6.774 1.018 236 2HD LYS 32 2HD LYS 32 11.123 5.911 -0.218 237 1HE LYS 32 1HE LYS 32 9.057 6.820 0.430 238 2HE LYS 32 2HE LYS 32 9.560 7.064 2.091 239 1HZ LYS 32 1HZ LYS 32 10.927 8.563 0.015 240 2HZ LYS 32 2HZ LYS 32 9.422 9.033 0.441 241 3HZ LYS 32 3HZ LYS 32 10.611 8.986 1.560 242 H ILE 33 H ILE 33 11.546 1.893 -1.252 243 HA ILE 33 HA ILE 33 11.561 3.460 -3.651 244 HB ILE 33 HB ILE 33 12.804 0.806 -2.925 245 1HG1 ILE 33 1HG1 ILE 33 14.282 3.392 -3.328 246 2HG1 ILE 33 2HG1 ILE 33 13.492 3.073 -1.796 247 1HG2 ILE 33 1HG2 ILE 33 12.281 1.577 -5.470 248 2HG2 ILE 33 2HG2 ILE 33 13.868 2.342 -5.214 249 3HG2 ILE 33 3HG2 ILE 33 13.679 0.587 -4.986 250 1HD1 ILE 33 1HD1 ILE 33 14.827 0.657 -2.422 251 2HD1 ILE 33 2HD1 ILE 33 15.970 1.951 -2.855 252 3HD1 ILE 33 3HD1 ILE 33 15.312 1.861 -1.204 253 H PHE 34 H PHE 34 10.173 0.329 -2.524 254 HA PHE 34 HA PHE 34 9.194 -0.529 -4.958 255 1HB PHE 34 1HB PHE 34 9.200 -1.945 -2.964 256 2HB PHE 34 2HB PHE 34 8.325 -0.750 -2.029 257 HD1 PHE 34 HD1 PHE 34 6.116 -1.210 -1.589 258 HD2 PHE 34 HD2 PHE 34 7.827 -2.732 -5.162 259 HE1 PHE 34 HE1 PHE 34 3.957 -2.368 -2.130 260 HE2 PHE 34 HE2 PHE 34 5.668 -3.891 -5.703 261 HZ PHE 34 HZ PHE 34 3.758 -3.695 -4.180 262 H PHE 35 H PHE 35 8.170 2.136 -2.922 263 HA PHE 35 HA PHE 35 5.637 2.276 -4.388 264 1HB PHE 35 1HB PHE 35 5.546 2.276 -1.887 265 2HB PHE 35 2HB PHE 35 6.740 3.557 -1.818 266 HD1 PHE 35 HD1 PHE 35 3.308 2.834 -3.060 267 HD2 PHE 35 HD2 PHE 35 6.057 5.782 -1.734 268 HE1 PHE 35 HE1 PHE 35 1.472 4.546 -3.062 269 HE2 PHE 35 HE2 PHE 35 4.221 7.495 -1.735 270 HZ PHE 35 HZ PHE 35 1.951 6.856 -2.399 271 H ASN 36 H ASN 36 8.705 3.234 -4.875 272 HA ASN 36 HA ASN 36 7.799 5.698 -6.087 273 1HB ASN 36 1HB ASN 36 10.018 5.398 -4.049 274 2HB ASN 36 2HB ASN 36 10.255 6.548 -5.349 275 1HD2 ASN 36 2HD2 ASN 36 7.832 5.509 -2.964 276 2HD2 ASN 36 1HD2 ASN 36 7.206 7.078 -2.583 277 H ARG 37 H ARG 37 8.500 2.876 -6.945 278 HA ARG 37 HA ARG 37 10.967 3.394 -8.379 279 1HB ARG 37 1HB ARG 37 10.722 1.267 -6.998 280 2HB ARG 37 2HB ARG 37 9.438 0.761 -8.078 281 1HG ARG 37 1HG ARG 37 11.196 -0.275 -9.162 282 2HG ARG 37 2HG ARG 37 11.307 1.284 -9.954 283 1HD ARG 37 1HD ARG 37 12.813 0.800 -7.363 284 2HD ARG 37 2HD ARG 37 13.474 0.216 -8.877 285 HE ARG 37 HE ARG 37 13.338 2.989 -8.005 286 1HH1 ARG 37 1HH1 ARG 37 14.165 4.611 -9.385 287 2HH1 ARG 37 2HH1 ARG 37 14.449 4.262 -11.058 288 1HH2 ARG 37 1HH2 ARG 37 13.361 0.919 -10.851 289 2HH2 ARG 37 2HH2 ARG 37 13.988 2.148 -11.897 290 H LYS 38 H LYS 38 10.252 4.641 -10.166 291 HA LYS 38 HA LYS 38 7.908 4.403 -11.521 292 1HB LYS 38 1HB LYS 38 9.345 6.249 -11.931 293 2HB LYS 38 2HB LYS 38 10.671 5.220 -12.432 294 1HG LYS 38 1HG LYS 38 8.611 4.455 -14.166 295 2HG LYS 38 2HG LYS 38 8.346 6.178 -13.990 296 1HD LYS 38 1HD LYS 38 9.875 5.779 -15.869 297 2HD LYS 38 2HD LYS 38 10.733 6.614 -14.589 298 1HE LYS 38 1HE LYS 38 11.322 4.113 -13.806 299 2HE LYS 38 2HE LYS 38 10.988 3.740 -15.486 300 1HZ LYS 38 1HZ LYS 38 12.527 5.782 -15.855 301 2HZ LYS 38 2HZ LYS 38 13.092 5.393 -14.373 302 3HZ LYS 38 3HZ LYS 38 13.161 4.301 -15.586 303 H PHE 39 H PHE 39 7.104 2.323 -11.828 304 HA PHE 39 HA PHE 39 8.798 0.511 -13.370 305 1HB PHE 39 1HB PHE 39 6.983 -1.129 -12.624 306 2HB PHE 39 2HB PHE 39 7.804 -0.362 -11.280 307 HD1 PHE 39 HD1 PHE 39 4.723 -0.213 -13.336 308 HD2 PHE 39 HD2 PHE 39 6.603 0.900 -9.698 309 HE1 PHE 39 HE1 PHE 39 2.515 0.571 -12.435 310 HE2 PHE 39 HE2 PHE 39 4.395 1.684 -8.797 311 HZ PHE 39 HZ PHE 39 2.378 1.510 -10.177 312 H LYS 40 H LYS 40 7.644 -0.838 -15.077 313 HA LYS 40 HA LYS 40 5.735 0.888 -16.494 314 1HB LYS 40 1HB LYS 40 6.684 0.238 -18.535 315 2HB LYS 40 2HB LYS 40 8.058 0.540 -17.490 316 1HG LYS 40 1HG LYS 40 8.778 -1.543 -18.054 317 2HG LYS 40 2HG LYS 40 7.523 -2.153 -16.995 318 1HD LYS 40 1HD LYS 40 6.952 -3.265 -18.959 319 2HD LYS 40 2HD LYS 40 5.966 -1.827 -19.137 320 1HE LYS 40 1HE LYS 40 7.043 -1.330 -21.068 321 2HE LYS 40 2HE LYS 40 8.548 -1.165 -20.186 322 1HZ LYS 40 1HZ LYS 40 8.820 -3.570 -20.388 323 2HZ LYS 40 2HZ LYS 40 7.464 -3.661 -21.294 324 3HZ LYS 40 3HZ LYS 40 8.761 -2.835 -21.845 325 H THR 41 H THR 41 3.770 0.048 -17.101 326 HA THR 41 HA THR 41 3.114 -2.537 -15.970 327 HB THR 41 HB THR 41 0.836 -1.790 -16.321 328 HG1 THR 41 HG1 THR 41 0.701 0.262 -17.723 329 1HG2 THR 41 1HG2 THR 41 2.390 -0.294 -14.742 330 2HG2 THR 41 2HG2 THR 41 2.188 0.908 -16.040 331 3HG2 THR 41 3HG2 THR 41 0.762 0.277 -15.183 332 HA PRO 42 HA PRO 42 3.367 -5.040 -19.491 333 1HB PRO 42 1HB PRO 42 1.117 -6.615 -19.175 334 2HB PRO 42 2HB PRO 42 2.572 -6.742 -18.134 335 1HG PRO 42 1HG PRO 42 -0.125 -5.202 -17.094 336 2HG PRO 42 2HG PRO 42 1.103 -6.479 -16.812 337 1HD PRO 42 1HD PRO 42 1.318 -3.661 -16.232 338 2HD PRO 42 2HD PRO 42 2.638 -4.867 -16.176 339 H SER 43 H SER 43 0.933 -2.641 -19.055 340 HA SER 43 HA SER 43 -0.303 -3.321 -21.584 341 1HB SER 43 1HB SER 43 -2.127 -2.041 -20.926 342 2HB SER 43 2HB SER 43 -1.536 -2.568 -19.362 343 HG SER 43 HG SER 43 -1.916 -0.065 -20.132 344 H GLY 44 H GLY 44 2.502 -1.967 -20.786 345 1HA GLY 44 1HA GLY 44 2.708 -0.377 -23.120 346 2HA GLY 44 2HA GLY 44 3.900 -0.557 -21.848 347 H LYS 45 H LYS 45 3.492 0.695 -19.753 348 HA LYS 45 HA LYS 45 3.051 3.393 -20.394 349 1HB LYS 45 1HB LYS 45 0.658 2.368 -20.284 350 2HB LYS 45 2HB LYS 45 0.909 2.350 -18.550 351 1HG LYS 45 1HG LYS 45 1.060 4.703 -18.403 352 2HG LYS 45 2HG LYS 45 1.531 4.883 -20.082 353 1HD LYS 45 1HD LYS 45 -0.670 5.519 -20.327 354 2HD LYS 45 2HD LYS 45 -0.922 3.791 -20.474 355 1HE LYS 45 1HE LYS 45 -2.124 3.720 -18.544 356 2HE LYS 45 2HE LYS 45 -0.866 4.554 -17.653 357 1HZ LYS 45 1HZ LYS 45 -1.873 6.528 -19.103 358 2HZ LYS 45 2HZ LYS 45 -3.216 5.621 -18.895 359 3HZ LYS 45 3HZ LYS 45 -2.386 6.161 -17.596 360 H GLU 46 H GLU 46 4.091 4.672 -18.889 361 HA GLU 46 HA GLU 46 5.349 3.185 -16.766 362 1HB GLU 46 1HB GLU 46 6.428 4.934 -18.472 363 2HB GLU 46 2HB GLU 46 5.882 6.108 -17.291 364 1HG GLU 46 1HG GLU 46 8.242 5.298 -16.895 365 2HG GLU 46 2HG GLU 46 7.181 5.064 -15.520 366 H ALA 47 H ALA 47 4.638 3.242 -14.676 367 HA ALA 47 HA ALA 47 3.189 5.623 -13.802 368 1HB ALA 47 1HB ALA 47 2.185 2.818 -13.225 369 2HB ALA 47 2HB ALA 47 1.351 4.367 -12.958 370 3HB ALA 47 3HB ALA 47 1.608 3.769 -14.614 371 H ALA 48 H ALA 48 2.663 5.043 -11.224 372 HA ALA 48 HA ALA 48 4.695 3.540 -9.949 373 1HB ALA 48 1HB ALA 48 5.113 6.338 -9.162 374 2HB ALA 48 2HB ALA 48 6.304 5.074 -9.553 375 3HB ALA 48 3HB ALA 48 5.556 6.028 -10.857 376 H CYS 49 H CYS 49 4.410 3.576 -7.588 377 HA CYS 49 HA CYS 49 1.692 3.841 -6.921 378 1HB CYS 49 1HB CYS 49 4.019 3.509 -5.022 379 2HB CYS 49 2HB CYS 49 2.337 3.123 -4.718 380 H ALA 50 H ALA 50 4.206 6.104 -7.304 381 HA ALA 50 HA ALA 50 3.048 7.909 -5.299 382 1HB ALA 50 1HB ALA 50 5.407 7.594 -4.969 383 2HB ALA 50 2HB ALA 50 5.200 9.195 -5.718 384 3HB ALA 50 3HB ALA 50 5.743 7.815 -6.702 385 H SER 51 H SER 51 2.548 7.012 -8.416 386 HA SER 51 HA SER 51 2.603 9.615 -9.590 387 1HB SER 51 1HB SER 51 2.430 6.883 -10.504 388 2HB SER 51 2HB SER 51 1.062 7.761 -11.160 389 HG SER 51 HG SER 51 2.438 8.523 -12.605 390 H CYS 52 H CYS 52 0.454 7.711 -7.645 391 HA CYS 52 HA CYS 52 -1.732 9.529 -8.351 392 1HB CYS 52 1HB CYS 52 -1.837 6.559 -7.802 393 2HB CYS 52 2HB CYS 52 -3.241 7.580 -7.561 394 H HIS 53 H HIS 53 -0.189 7.403 -5.962 395 HA HIS 53 HA HIS 53 -1.485 8.838 -3.707 396 1HB HIS 53 1HB HIS 53 0.411 6.426 -3.695 397 2HB HIS 53 2HB HIS 53 -0.609 7.041 -2.324 398 HD1 HIS 53 HD1 HIS 53 -3.295 7.072 -3.140 399 HD2 HIS 53 HD2 HIS 53 -0.720 4.227 -4.798 400 HE1 HIS 53 HE1 HIS 53 -4.795 5.164 -4.008 401 H THR 54 H THR 54 0.758 9.891 -5.649 402 HA THR 54 HA THR 54 2.647 11.073 -5.511 403 HB THR 54 HB THR 54 2.668 12.653 -3.535 404 HG1 THR 54 HG1 THR 54 1.890 11.403 -1.827 405 1HG2 THR 54 1HG2 THR 54 -0.127 12.051 -4.640 406 2HG2 THR 54 2HG2 THR 54 0.336 13.541 -3.783 407 3HG2 THR 54 3HG2 THR 54 1.053 13.166 -5.369 408 H ASN 55 H ASN 55 4.746 11.524 -4.244 409 HA ASN 55 HA ASN 55 6.020 9.172 -3.892 410 1HB ASN 55 1HB ASN 55 7.765 10.544 -2.638 411 2HB ASN 55 2HB ASN 55 7.265 11.255 -4.160 412 1HD2 ASN 55 2HD2 ASN 55 6.236 13.169 -4.221 413 2HD2 ASN 55 1HD2 ASN 55 5.894 14.163 -2.844 414 H ASN 56 H ASN 56 3.938 10.981 -1.680 415 HA ASN 56 HA ASN 56 4.538 9.002 0.373 416 1HB ASN 56 1HB ASN 56 5.183 11.627 0.682 417 2HB ASN 56 2HB ASN 56 3.502 11.725 1.169 418 1HD2 ASN 56 2HD2 ASN 56 3.745 12.060 3.292 419 2HD2 ASN 56 1HD2 ASN 56 4.459 10.949 4.412 420 HA PRO 57 HA PRO 57 0.158 8.300 -0.259 421 1HB PRO 57 1HB PRO 57 -0.122 6.403 1.717 422 2HB PRO 57 2HB PRO 57 0.708 6.081 0.160 423 1HG PRO 57 1HG PRO 57 1.994 6.722 2.819 424 2HG PRO 57 2HG PRO 57 2.322 5.466 1.581 425 1HD PRO 57 1HD PRO 57 3.695 7.879 1.742 426 2HD PRO 57 2HD PRO 57 3.416 7.023 0.195 427 H ALA 58 H ALA 58 1.640 8.917 3.007 428 HA ALA 58 HA ALA 58 -0.752 9.500 4.306 429 1HB ALA 58 1HB ALA 58 1.990 10.712 4.825 430 2HB ALA 58 2HB ALA 58 1.522 9.069 5.322 431 3HB ALA 58 3HB ALA 58 0.670 10.479 5.996 432 H ASN 59 H ASN 59 0.860 11.124 1.730 433 HA ASN 59 HA ASN 59 -0.198 13.690 2.493 434 1HB ASN 59 1HB ASN 59 2.100 13.111 1.240 435 2HB ASN 59 2HB ASN 59 1.090 13.104 -0.192 436 1HD2 ASN 59 2HD2 ASN 59 3.120 14.894 0.081 437 2HD2 ASN 59 1HD2 ASN 59 2.513 16.505 0.278 438 H VAL 60 H VAL 60 -1.350 14.927 0.532 439 HA VAL 60 HA VAL 60 -3.629 13.396 -0.170 440 HB VAL 60 HB VAL 60 -2.629 16.167 -0.793 441 1HG1 VAL 60 1HG1 VAL 60 -5.165 14.840 -1.800 442 2HG1 VAL 60 2HG1 VAL 60 -4.889 16.598 -1.796 443 3HG1 VAL 60 3HG1 VAL 60 -3.844 15.535 -2.769 444 1HG2 VAL 60 1HG2 VAL 60 -3.490 15.611 1.498 445 2HG2 VAL 60 2HG2 VAL 60 -4.402 16.890 0.662 446 3HG2 VAL 60 3HG2 VAL 60 -5.067 15.242 0.759 447 H GLY 61 H GLY 61 -4.183 12.396 -2.090 448 1HA GLY 61 1HA GLY 61 -3.187 11.009 -3.767 449 2HA GLY 61 2HA GLY 61 -2.035 12.282 -4.114 450 H LYS 62 H LYS 62 -3.196 11.457 -6.332 451 HA LYS 62 HA LYS 62 -5.710 12.749 -6.807 452 1HB LYS 62 1HB LYS 62 -4.343 14.719 -6.935 453 2HB LYS 62 2HB LYS 62 -3.157 13.915 -7.942 454 1HG LYS 62 1HG LYS 62 -4.889 13.623 -9.735 455 2HG LYS 62 2HG LYS 62 -6.061 14.449 -8.729 456 1HD LYS 62 1HD LYS 62 -3.422 15.693 -9.636 457 2HD LYS 62 2HD LYS 62 -4.947 15.929 -10.467 458 1HE LYS 62 1HE LYS 62 -5.157 16.447 -7.563 459 2HE LYS 62 2HE LYS 62 -3.975 17.480 -8.343 460 1HZ LYS 62 1HZ LYS 62 -6.745 17.121 -9.257 461 2HZ LYS 62 2HZ LYS 62 -6.189 18.407 -8.418 462 3HZ LYS 62 3HZ LYS 62 -5.643 18.120 -9.930 463 H ASN 63 H ASN 63 -6.771 11.788 -8.524 464 HA ASN 63 HA ASN 63 -5.426 9.500 -9.589 465 1HB ASN 63 1HB ASN 63 -8.267 10.591 -9.711 466 2HB ASN 63 2HB ASN 63 -7.788 9.283 -10.774 467 1HD2 ASN 63 2HD2 ASN 63 -9.774 8.938 -8.951 468 2HD2 ASN 63 1HD2 ASN 63 -9.290 7.852 -7.692 469 H ILE 64 H ILE 64 -4.622 9.369 -11.718 470 HA ILE 64 HA ILE 64 -4.726 11.801 -13.280 471 HB ILE 64 HB ILE 64 -2.955 10.908 -14.516 472 1HG1 ILE 64 1HG1 ILE 64 -3.642 8.185 -13.372 473 2HG1 ILE 64 2HG1 ILE 64 -3.903 8.715 -15.021 474 1HG2 ILE 64 1HG2 ILE 64 -2.788 11.203 -11.795 475 2HG2 ILE 64 2HG2 ILE 64 -2.076 9.590 -12.043 476 3HG2 ILE 64 3HG2 ILE 64 -1.408 10.999 -12.902 477 1HD1 ILE 64 1HD1 ILE 64 -1.212 9.296 -14.668 478 2HD1 ILE 64 2HD1 ILE 64 -1.411 7.811 -13.708 479 3HD1 ILE 64 3HD1 ILE 64 -1.847 7.820 -15.434 480 H VAL 65 H VAL 65 -6.983 9.590 -12.771 481 HA VAL 65 HA VAL 65 -7.521 8.927 -15.549 482 HB VAL 65 HB VAL 65 -8.800 8.173 -12.919 483 1HG1 VAL 65 1HG1 VAL 65 -9.739 7.776 -15.734 484 2HG1 VAL 65 2HG1 VAL 65 -9.969 6.451 -14.568 485 3HG1 VAL 65 3HG1 VAL 65 -10.672 8.054 -14.244 486 1HG2 VAL 65 1HG2 VAL 65 -6.676 7.057 -14.568 487 2HG2 VAL 65 2HG2 VAL 65 -7.180 6.632 -12.915 488 3HG2 VAL 65 3HG2 VAL 65 -7.994 5.889 -14.312 489 H THR 66 H THR 66 -9.164 10.565 -12.749 490 HA THR 66 HA THR 66 -10.749 12.048 -14.740 491 HB THR 66 HB THR 66 -12.388 12.269 -12.851 492 HG1 THR 66 HG1 THR 66 -11.760 11.277 -10.860 493 1HG2 THR 66 1HG2 THR 66 -12.336 10.121 -14.330 494 2HG2 THR 66 2HG2 THR 66 -11.486 9.355 -12.967 495 3HG2 THR 66 3HG2 THR 66 -13.137 9.983 -12.746 496 H GLY 67 H GLY 67 -8.548 12.265 -11.952 497 1HA GLY 67 1HA GLY 67 -7.930 14.986 -12.663 498 2HA GLY 67 2HA GLY 67 -7.202 14.013 -11.401 499 H LYS 68 H LYS 68 -9.749 13.241 -10.097 500 HA LYS 68 HA LYS 68 -11.047 15.693 -9.380 501 1HB LYS 68 1HB LYS 68 -11.352 12.791 -8.684 502 2HB LYS 68 2HB LYS 68 -12.080 13.995 -7.639 503 1HG LYS 68 1HG LYS 68 -12.526 14.444 -10.555 504 2HG LYS 68 2HG LYS 68 -13.265 12.988 -9.917 505 1HD LYS 68 1HD LYS 68 -14.222 14.463 -8.021 506 2HD LYS 68 2HD LYS 68 -13.695 15.849 -8.956 507 1HE LYS 68 1HE LYS 68 -15.503 15.692 -10.320 508 2HE LYS 68 2HE LYS 68 -15.122 14.027 -10.711 509 1HZ LYS 68 1HZ LYS 68 -16.089 13.933 -8.179 510 2HZ LYS 68 2HZ LYS 68 -17.053 15.026 -8.915 511 3HZ LYS 68 3HZ LYS 68 -16.901 13.523 -9.535 512 H GLU 69 H GLU 69 -10.062 13.327 -6.908 513 HA GLU 69 HA GLU 69 -7.830 14.639 -5.985 514 1HB GLU 69 1HB GLU 69 -8.618 15.969 -4.128 515 2HB GLU 69 2HB GLU 69 -9.472 16.510 -5.560 516 1HG GLU 69 1HG GLU 69 -11.376 14.918 -4.906 517 2HG GLU 69 2HG GLU 69 -10.540 14.650 -3.389 518 H ILE 70 H ILE 70 -6.820 13.021 -4.880 519 HA ILE 70 HA ILE 70 -8.555 11.096 -3.501 520 HB ILE 70 HB ILE 70 -5.782 10.722 -4.639 521 1HG1 ILE 70 1HG1 ILE 70 -7.853 11.036 -6.214 522 2HG1 ILE 70 2HG1 ILE 70 -6.682 9.768 -6.520 523 1HG2 ILE 70 1HG2 ILE 70 -7.566 9.017 -2.966 524 2HG2 ILE 70 2HG2 ILE 70 -6.642 8.233 -4.270 525 3HG2 ILE 70 3HG2 ILE 70 -5.791 9.144 -3.000 526 1HD1 ILE 70 1HD1 ILE 70 -8.868 8.976 -4.665 527 2HD1 ILE 70 2HD1 ILE 70 -9.396 9.358 -6.321 528 3HD1 ILE 70 3HD1 ILE 70 -8.172 8.095 -6.047 529 HA PRO 71 HA PRO 71 -6.895 12.835 0.202 530 1HB PRO 71 1HB PRO 71 -8.178 11.096 1.910 531 2HB PRO 71 2HB PRO 71 -9.023 12.417 1.039 532 1HG PRO 71 1HG PRO 71 -8.950 9.475 0.306 533 2HG PRO 71 2HG PRO 71 -10.254 10.703 0.403 534 1HD PRO 71 1HD PRO 71 -8.896 9.992 -1.944 535 2HD PRO 71 2HD PRO 71 -9.658 11.590 -1.681 536 HA PRO 72 HA PRO 72 -3.297 10.605 1.317 537 1HB PRO 72 1HB PRO 72 -3.779 10.313 4.120 538 2HB PRO 72 2HB PRO 72 -2.952 11.676 3.296 539 1HG PRO 72 1HG PRO 72 -5.764 11.406 4.110 540 2HG PRO 72 2HG PRO 72 -4.918 12.977 4.295 541 1HD PRO 72 1HD PRO 72 -6.540 12.761 2.243 542 2HD PRO 72 2HD PRO 72 -4.861 13.240 1.850 543 H LEU 73 H LEU 73 -2.862 8.411 1.041 544 HA LEU 73 HA LEU 73 -5.030 6.583 1.374 545 1HB LEU 73 1HB LEU 73 -3.175 6.661 -0.426 546 2HB LEU 73 2HB LEU 73 -2.180 5.851 0.768 547 HG LEU 73 HG LEU 73 -2.952 3.976 -0.185 548 1HD1 LEU 73 1HD1 LEU 73 -5.345 4.766 1.485 549 2HD1 LEU 73 2HD1 LEU 73 -5.163 3.166 0.728 550 3HD1 LEU 73 3HD1 LEU 73 -3.979 3.719 1.936 551 1HD2 LEU 73 1HD2 LEU 73 -4.306 5.732 -1.785 552 2HD2 LEU 73 2HD2 LEU 73 -4.316 3.960 -1.962 553 3HD2 LEU 73 3HD2 LEU 73 -5.635 4.775 -1.088 554 H ALA 74 H ALA 74 -2.199 7.633 3.226 555 HA ALA 74 HA ALA 74 -1.505 5.696 4.841 556 1HB ALA 74 1HB ALA 74 -2.233 8.564 5.372 557 2HB ALA 74 2HB ALA 74 -0.643 7.766 5.423 558 3HB ALA 74 3HB ALA 74 -1.804 7.522 6.750 559 HA PRO 75 HA PRO 75 -5.433 4.066 6.231 560 1HB PRO 75 1HB PRO 75 -4.468 1.587 6.864 561 2HB PRO 75 2HB PRO 75 -4.709 2.116 5.167 562 1HG PRO 75 1HG PRO 75 -2.044 1.970 6.677 563 2HG PRO 75 2HG PRO 75 -2.663 1.563 5.043 564 1HD PRO 75 1HD PRO 75 -1.377 3.997 5.867 565 2HD PRO 75 2HD PRO 75 -2.259 3.732 4.333 566 H ARG 76 H ARG 76 -3.999 5.935 7.914 567 HA ARG 76 HA ARG 76 -4.607 4.701 10.404 568 1HB ARG 76 1HB ARG 76 -2.170 4.093 9.992 569 2HB ARG 76 2HB ARG 76 -1.787 5.802 9.952 570 1HG ARG 76 1HG ARG 76 -3.272 5.516 12.326 571 2HG ARG 76 2HG ARG 76 -2.303 4.057 12.271 572 1HD ARG 76 1HD ARG 76 -0.941 5.668 13.410 573 2HD ARG 76 2HD ARG 76 -0.266 5.562 11.796 574 HE ARG 76 HE ARG 76 -1.090 7.733 11.300 575 1HH1 ARG 76 1HH1 ARG 76 -1.828 9.799 11.937 576 2HH1 ARG 76 2HH1 ARG 76 -2.560 10.016 13.492 577 1HH2 ARG 76 1HH2 ARG 76 -2.232 6.640 14.444 578 2HH2 ARG 76 2HH2 ARG 76 -2.791 8.207 14.928 579 H VAL 77 H VAL 77 -2.872 7.494 8.837 580 HA VAL 77 HA VAL 77 -3.234 9.437 10.647 581 HB VAL 77 HB VAL 77 -3.400 9.426 7.646 582 1HG1 VAL 77 1HG1 VAL 77 -4.806 11.305 8.508 583 2HG1 VAL 77 2HG1 VAL 77 -3.376 11.929 9.364 584 3HG1 VAL 77 3HG1 VAL 77 -3.380 11.839 7.586 585 1HG2 VAL 77 1HG2 VAL 77 -1.329 10.171 9.714 586 2HG2 VAL 77 2HG2 VAL 77 -1.208 9.011 8.369 587 3HG2 VAL 77 3HG2 VAL 77 -1.223 10.760 8.037 588 H ASN 78 H ASN 78 -5.719 8.138 8.380 589 HA ASN 78 HA ASN 78 -7.649 9.880 9.656 590 1HB ASN 78 1HB ASN 78 -8.257 7.955 7.378 591 2HB ASN 78 2HB ASN 78 -9.070 9.457 7.770 592 1HD2 ASN 78 2HD2 ASN 78 -8.462 9.248 5.269 593 2HD2 ASN 78 1HD2 ASN 78 -7.080 10.179 4.794 594 H THR 79 H THR 79 -9.724 8.882 10.448 595 HA THR 79 HA THR 79 -9.234 6.207 11.523 596 HB THR 79 HB THR 79 -11.318 6.955 12.917 597 HG1 THR 79 HG1 THR 79 -11.383 9.413 12.764 598 1HG2 THR 79 1HG2 THR 79 -8.520 7.869 13.070 599 2HG2 THR 79 2HG2 THR 79 -9.644 9.072 13.747 600 3HG2 THR 79 3HG2 THR 79 -9.623 7.413 14.391 601 H LYS 80 H LYS 80 -10.385 7.361 8.696 602 HA LYS 80 HA LYS 80 -12.547 5.371 8.643 603 1HB LYS 80 1HB LYS 80 -12.303 8.100 7.439 604 2HB LYS 80 2HB LYS 80 -13.181 6.876 6.544 605 1HG LYS 80 1HG LYS 80 -14.841 7.906 7.905 606 2HG LYS 80 2HG LYS 80 -14.480 6.405 8.732 607 1HD LYS 80 1HD LYS 80 -13.035 7.545 10.337 608 2HD LYS 80 2HD LYS 80 -13.110 9.041 9.426 609 1HE LYS 80 1HE LYS 80 -15.816 8.417 9.883 610 2HE LYS 80 2HE LYS 80 -15.031 7.945 11.377 611 1HZ LYS 80 1HZ LYS 80 -14.694 10.561 10.080 612 2HZ LYS 80 2HZ LYS 80 -15.681 10.268 11.348 613 3HZ LYS 80 3HZ LYS 80 -14.064 10.115 11.520 614 H ARG 81 H ARG 81 -10.054 4.326 8.471 615 HA ARG 81 HA ARG 81 -9.957 3.684 5.655 616 1HB ARG 81 1HB ARG 81 -7.583 4.549 7.369 617 2HB ARG 81 2HB ARG 81 -7.370 3.643 5.884 618 1HG ARG 81 1HG ARG 81 -9.100 6.117 5.804 619 2HG ARG 81 2HG ARG 81 -7.363 6.328 5.899 620 1HD ARG 81 1HD ARG 81 -7.070 4.889 3.873 621 2HD ARG 81 2HD ARG 81 -8.805 4.658 3.781 622 HE ARG 81 HE ARG 81 -7.327 7.024 2.947 623 1HH1 ARG 81 1HH1 ARG 81 -8.489 8.779 2.057 624 2HH1 ARG 81 2HH1 ARG 81 -10.203 8.882 2.278 625 1HH2 ARG 81 1HH2 ARG 81 -10.439 5.909 4.152 626 2HH2 ARG 81 2HH2 ARG 81 -11.321 7.239 3.477 627 H PHE 82 H PHE 82 -8.814 1.555 5.257 628 HA PHE 82 HA PHE 82 -8.763 -0.620 5.694 629 1HB PHE 82 1HB PHE 82 -7.191 0.820 7.857 630 2HB PHE 82 2HB PHE 82 -7.391 -0.910 8.046 631 HD1 PHE 82 HD1 PHE 82 -4.835 -0.813 7.940 632 HD2 PHE 82 HD2 PHE 82 -7.323 0.077 4.619 633 HE1 PHE 82 HE1 PHE 82 -2.903 -1.207 6.386 634 HE2 PHE 82 HE2 PHE 82 -5.391 -0.316 3.066 635 HZ PHE 82 HZ PHE 82 -3.204 -0.953 3.968 636 H THR 83 H THR 83 -11.283 0.189 6.315 637 HA THR 83 HA THR 83 -11.914 -0.527 9.040 638 HB THR 83 HB THR 83 -13.681 0.115 6.620 639 HG1 THR 83 HG1 THR 83 -12.856 2.116 7.071 640 1HG2 THR 83 1HG2 THR 83 -14.659 -0.942 8.866 641 2HG2 THR 83 2HG2 THR 83 -14.318 0.673 9.533 642 3HG2 THR 83 3HG2 THR 83 -15.436 0.494 8.159 643 H ASP 84 H ASP 84 -12.896 -1.828 5.793 644 HA ASP 84 HA ASP 84 -13.646 -4.258 7.104 645 1HB ASP 84 1HB ASP 84 -13.517 -3.836 4.100 646 2HB ASP 84 2HB ASP 84 -14.591 -4.890 4.998 647 H ILE 85 H ILE 85 -11.676 -5.284 7.777 648 HA ILE 85 HA ILE 85 -9.360 -5.339 6.194 649 HB ILE 85 HB ILE 85 -9.555 -5.637 8.678 650 1HG1 ILE 85 1HG1 ILE 85 -7.963 -7.743 7.185 651 2HG1 ILE 85 2HG1 ILE 85 -7.488 -6.067 7.372 652 1HG2 ILE 85 1HG2 ILE 85 -10.632 -8.309 7.800 653 2HG2 ILE 85 2HG2 ILE 85 -9.788 -8.114 9.355 654 3HG2 ILE 85 3HG2 ILE 85 -11.266 -7.181 9.022 655 1HD1 ILE 85 1HD1 ILE 85 -8.111 -6.881 9.994 656 2HD1 ILE 85 2HD1 ILE 85 -7.269 -8.278 9.282 657 3HD1 ILE 85 3HD1 ILE 85 -6.481 -6.682 9.309 658 H ASP 86 H ASP 86 -12.391 -6.881 5.825 659 HA ASP 86 HA ASP 86 -11.414 -9.306 4.760 660 1HB ASP 86 1HB ASP 86 -14.108 -7.886 4.549 661 2HB ASP 86 2HB ASP 86 -13.817 -9.480 3.882 662 H LYS 87 H LYS 87 -13.284 -6.541 3.271 663 HA LYS 87 HA LYS 87 -12.306 -7.259 0.661 664 1HB LYS 87 1HB LYS 87 -14.145 -5.045 1.615 665 2HB LYS 87 2HB LYS 87 -13.753 -5.357 -0.064 666 1HG LYS 87 1HG LYS 87 -15.717 -6.603 0.148 667 2HG LYS 87 2HG LYS 87 -14.523 -7.837 0.498 668 1HD LYS 87 1HD LYS 87 -15.033 -7.899 2.769 669 2HD LYS 87 2HD LYS 87 -15.478 -6.205 2.831 670 1HE LYS 87 1HE LYS 87 -17.288 -7.721 1.076 671 2HE LYS 87 2HE LYS 87 -17.245 -8.404 2.689 672 1HZ LYS 87 1HZ LYS 87 -17.382 -5.800 3.204 673 2HZ LYS 87 2HZ LYS 87 -18.255 -5.873 1.826 674 3HZ LYS 87 3HZ LYS 87 -18.683 -6.782 3.114 675 H VAL 88 H VAL 88 -10.020 -6.905 1.854 676 HA VAL 88 HA VAL 88 -9.158 -4.288 0.904 677 HB VAL 88 HB VAL 88 -9.496 -4.907 3.625 678 1HG1 VAL 88 1HG1 VAL 88 -6.573 -4.929 2.812 679 2HG1 VAL 88 2HG1 VAL 88 -7.148 -4.629 4.470 680 3HG1 VAL 88 3HG1 VAL 88 -7.467 -6.195 3.687 681 1HG2 VAL 88 1HG2 VAL 88 -7.988 -2.686 2.211 682 2HG2 VAL 88 2HG2 VAL 88 -9.692 -2.683 2.726 683 3HG2 VAL 88 3HG2 VAL 88 -8.394 -2.678 3.944 684 H GLU 89 H GLU 89 -8.433 -7.625 2.021 685 HA GLU 89 HA GLU 89 -5.779 -7.571 1.134 686 1HB GLU 89 1HB GLU 89 -6.626 -9.179 2.820 687 2HB GLU 89 2HB GLU 89 -7.661 -9.924 1.618 688 1HG GLU 89 1HG GLU 89 -4.716 -9.710 0.999 689 2HG GLU 89 2HG GLU 89 -5.217 -10.901 2.183 690 H ASP 90 H ASP 90 -8.900 -8.604 -0.344 691 HA ASP 90 HA ASP 90 -7.719 -9.701 -2.622 692 1HB ASP 90 1HB ASP 90 -10.013 -10.256 -1.977 693 2HB ASP 90 2HB ASP 90 -10.500 -8.575 -2.070 694 H GLU 91 H GLU 91 -9.204 -6.492 -1.802 695 HA GLU 91 HA GLU 91 -9.083 -5.369 -4.293 696 1HB GLU 91 1HB GLU 91 -8.985 -4.233 -1.488 697 2HB GLU 91 2HB GLU 91 -8.839 -3.162 -2.867 698 1HG GLU 91 1HG GLU 91 -11.068 -5.160 -3.001 699 2HG GLU 91 2HG GLU 91 -11.237 -3.911 -1.783 700 H PHE 92 H PHE 92 -6.506 -6.266 -2.138 701 HA PHE 92 HA PHE 92 -4.636 -4.352 -3.188 702 1HB PHE 92 1HB PHE 92 -4.926 -6.326 -1.030 703 2HB PHE 92 2HB PHE 92 -3.405 -6.604 -1.855 704 HD1 PHE 92 HD1 PHE 92 -2.339 -4.051 -2.488 705 HD2 PHE 92 HD2 PHE 92 -4.596 -5.169 0.927 706 HE1 PHE 92 HE1 PHE 92 -1.288 -2.182 -1.182 707 HE2 PHE 92 HE2 PHE 92 -3.545 -3.300 2.233 708 HZ PHE 92 HZ PHE 92 -1.904 -1.829 1.163 709 H THR 93 H THR 93 -5.816 -7.565 -3.977 710 HA THR 93 HA THR 93 -3.457 -8.142 -5.595 711 HB THR 93 HB THR 93 -5.810 -9.644 -4.454 712 HG1 THR 93 HG1 THR 93 -3.808 -9.948 -3.438 713 1HG2 THR 93 1HG2 THR 93 -4.205 -10.504 -6.919 714 2HG2 THR 93 2HG2 THR 93 -5.202 -11.599 -5.931 715 3HG2 THR 93 3HG2 THR 93 -5.969 -10.278 -6.845 716 H LYS 94 H LYS 94 -6.842 -7.093 -5.874 717 HA LYS 94 HA LYS 94 -6.941 -7.547 -8.685 718 1HB LYS 94 1HB LYS 94 -8.727 -5.772 -7.000 719 2HB LYS 94 2HB LYS 94 -9.087 -6.459 -8.571 720 1HG LYS 94 1HG LYS 94 -8.274 -8.524 -6.629 721 2HG LYS 94 2HG LYS 94 -9.669 -7.618 -6.075 722 1HD LYS 94 1HD LYS 94 -10.773 -9.202 -7.355 723 2HD LYS 94 2HD LYS 94 -10.497 -8.003 -8.603 724 1HE LYS 94 1HE LYS 94 -9.471 -9.674 -9.767 725 2HE LYS 94 2HE LYS 94 -8.120 -9.447 -8.674 726 1HZ LYS 94 1HZ LYS 94 -9.608 -11.015 -7.208 727 2HZ LYS 94 2HZ LYS 94 -10.134 -11.512 -8.672 728 3HZ LYS 94 3HZ LYS 94 -8.547 -11.604 -8.300 729 H HIS 95 H HIS 95 -5.973 -4.991 -6.519 730 HA HIS 95 HA HIS 95 -5.915 -2.838 -8.433 731 1HB HIS 95 1HB HIS 95 -6.007 -2.709 -5.896 732 2HB HIS 95 2HB HIS 95 -4.248 -3.161 -5.881 733 HD1 HIS 95 HD1 HIS 95 -4.970 -0.962 -8.642 734 HD2 HIS 95 HD2 HIS 95 -4.132 -0.492 -4.574 735 HE1 HIS 95 HE1 HIS 95 -4.249 1.493 -8.335 736 H CYS 96 H CYS 96 -3.264 -4.851 -7.024 737 HA CYS 96 HA CYS 96 -1.190 -3.906 -8.667 738 1HB CYS 96 1HB CYS 96 -1.721 -6.422 -7.103 739 2HB CYS 96 2HB CYS 96 -0.317 -6.364 -8.197 740 H ASN 97 H ASN 97 -3.879 -6.136 -9.381 741 HA ASN 97 HA ASN 97 -2.573 -7.240 -11.633 742 1HB ASN 97 1HB ASN 97 -5.117 -7.552 -10.212 743 2HB ASN 97 2HB ASN 97 -5.408 -7.480 -11.939 744 1HD2 ASN 97 2HD2 ASN 97 -4.760 -9.469 -9.418 745 2HD2 ASN 97 1HD2 ASN 97 -4.068 -10.835 -10.227 746 H ASP 98 H ASP 98 -4.088 -4.237 -10.876 747 HA ASP 98 HA ASP 98 -4.610 -3.763 -13.706 748 1HB ASP 98 1HB ASP 98 -6.027 -2.952 -11.198 749 2HB ASP 98 2HB ASP 98 -5.895 -1.701 -12.418 750 H ILE 99 H ILE 99 -2.283 -3.412 -11.447 751 HA ILE 99 HA ILE 99 -1.620 -0.676 -12.289 752 HB ILE 99 HB ILE 99 -1.149 -2.007 -9.621 753 1HG1 ILE 99 1HG1 ILE 99 -3.443 -1.080 -10.106 754 2HG1 ILE 99 2HG1 ILE 99 -2.632 -0.410 -8.704 755 1HG2 ILE 99 1HG2 ILE 99 -0.012 0.517 -10.811 756 2HG2 ILE 99 2HG2 ILE 99 -0.207 0.317 -9.053 757 3HG2 ILE 99 3HG2 ILE 99 0.824 -0.809 -9.968 758 1HD1 ILE 99 1HD1 ILE 99 -2.266 0.970 -11.365 759 2HD1 ILE 99 2HD1 ILE 99 -3.796 1.190 -10.482 760 3HD1 ILE 99 3HD1 ILE 99 -2.256 1.661 -9.724 761 H LEU 100 H LEU 100 -0.374 -3.905 -11.226 762 HA LEU 100 HA LEU 100 2.089 -3.296 -12.687 763 1HB LEU 100 1HB LEU 100 1.431 -5.274 -10.509 764 2HB LEU 100 2HB LEU 100 2.913 -5.349 -11.442 765 HG LEU 100 HG LEU 100 2.022 -3.101 -9.620 766 1HD1 LEU 100 1HD1 LEU 100 3.138 -5.426 -8.873 767 2HD1 LEU 100 2HD1 LEU 100 4.612 -4.505 -9.257 768 3HD1 LEU 100 3HD1 LEU 100 3.458 -3.878 -8.055 769 1HD2 LEU 100 1HD2 LEU 100 4.363 -3.254 -11.525 770 2HD2 LEU 100 2HD2 LEU 100 3.097 -2.007 -11.418 771 3HD2 LEU 100 3HD2 LEU 100 4.317 -2.151 -10.130 772 H GLY 101 H GLY 101 -0.854 -5.215 -12.668 773 1HA GLY 101 1HA GLY 101 0.029 -6.469 -15.181 774 2HA GLY 101 2HA GLY 101 -1.625 -6.164 -14.688 775 H ALA 102 H ALA 102 -0.430 -7.121 -11.825 776 HA ALA 102 HA ALA 102 -1.513 -9.729 -12.050 777 1HB ALA 102 1HB ALA 102 1.002 -9.709 -13.001 778 2HB ALA 102 2HB ALA 102 0.355 -11.071 -12.054 779 3HB ALA 102 3HB ALA 102 1.374 -9.842 -11.265 780 H ASP 103 H ASP 103 -0.678 -10.942 -9.789 781 HA ASP 103 HA ASP 103 -1.589 -9.085 -7.822 782 1HB ASP 103 1HB ASP 103 -2.299 -11.535 -8.001 783 2HB ASP 103 2HB ASP 103 -0.688 -11.981 -7.477 784 H CYS 104 H CYS 104 -0.317 -8.164 -6.252 785 HA CYS 104 HA CYS 104 2.558 -8.256 -6.531 786 1HB CYS 104 1HB CYS 104 0.618 -6.891 -4.642 787 2HB CYS 104 2HB CYS 104 2.382 -6.777 -4.424 788 H SER 105 H SER 105 4.068 -8.785 -4.663 789 HA SER 105 HA SER 105 3.373 -11.327 -3.683 790 1HB SER 105 1HB SER 105 5.694 -9.646 -2.679 791 2HB SER 105 2HB SER 105 5.596 -11.392 -2.796 792 HG SER 105 HG SER 105 6.842 -10.097 -4.517 793 HA PRO 106 HA PRO 106 1.346 -10.329 0.089 794 1HB PRO 106 1HB PRO 106 2.147 -12.514 1.594 795 2HB PRO 106 2HB PRO 106 0.934 -12.599 0.275 796 1HG PRO 106 1HG PRO 106 3.930 -13.366 -0.010 797 2HG PRO 106 2HG PRO 106 2.393 -14.182 -0.448 798 1HD PRO 106 1HD PRO 106 3.807 -12.616 -2.219 799 2HD PRO 106 2HD PRO 106 2.018 -12.669 -2.230 800 H SER 107 H SER 107 4.840 -10.623 -0.268 801 HA SER 107 HA SER 107 5.267 -9.792 2.450 802 1HB SER 107 1HB SER 107 7.621 -10.079 1.983 803 2HB SER 107 2HB SER 107 6.775 -11.445 1.283 804 HG SER 107 HG SER 107 8.003 -9.211 -0.025 805 H GLU 108 H GLU 108 5.410 -8.530 -0.911 806 HA GLU 108 HA GLU 108 6.670 -6.140 -0.311 807 1HB GLU 108 1HB GLU 108 4.620 -6.647 -2.511 808 2HB GLU 108 2HB GLU 108 5.836 -5.385 -2.497 809 1HG GLU 108 1HG GLU 108 6.907 -8.139 -2.098 810 2HG GLU 108 2HG GLU 108 6.168 -7.867 -3.663 811 H LYS 109 H LYS 109 3.425 -7.290 0.319 812 HA LYS 109 HA LYS 109 2.371 -4.609 0.620 813 1HB LYS 109 1HB LYS 109 1.212 -7.387 0.744 814 2HB LYS 109 2HB LYS 109 0.322 -6.022 1.388 815 1HG LYS 109 1HG LYS 109 0.691 -4.847 -0.865 816 2HG LYS 109 2HG LYS 109 1.332 -6.361 -1.471 817 1HD LYS 109 1HD LYS 109 -1.455 -6.022 -0.265 818 2HD LYS 109 2HD LYS 109 -1.114 -6.047 -1.983 819 1HE LYS 109 1HE LYS 109 -0.456 -8.342 -1.949 820 2HE LYS 109 2HE LYS 109 -0.197 -8.341 -0.216 821 1HZ LYS 109 1HZ LYS 109 -2.705 -7.772 -0.195 822 2HZ LYS 109 2HZ LYS 109 -2.701 -8.453 -1.679 823 3HZ LYS 109 3HZ LYS 109 -2.220 -9.320 -0.382 824 H ALA 110 H ALA 110 2.855 -7.558 2.691 825 HA ALA 110 HA ALA 110 2.152 -6.608 5.091 826 1HB ALA 110 1HB ALA 110 4.623 -8.247 4.398 827 2HB ALA 110 2HB ALA 110 3.898 -8.126 6.018 828 3HB ALA 110 3HB ALA 110 2.983 -8.874 4.687 829 H ASN 111 H ASN 111 4.918 -5.580 3.123 830 HA ASN 111 HA ASN 111 6.184 -4.250 5.281 831 1HB ASN 111 1HB ASN 111 7.185 -5.137 2.993 832 2HB ASN 111 2HB ASN 111 6.626 -3.612 2.336 833 1HD2 ASN 111 2HD2 ASN 111 7.137 -1.684 3.876 834 2HD2 ASN 111 1HD2 ASN 111 8.778 -1.574 4.421 835 H PHE 112 H PHE 112 4.515 -3.204 2.205 836 HA PHE 112 HA PHE 112 4.493 -0.528 2.569 837 1HB PHE 112 1HB PHE 112 3.590 -1.902 0.626 838 2HB PHE 112 2HB PHE 112 2.228 -2.384 1.618 839 HD1 PHE 112 HD1 PHE 112 0.266 -1.150 1.531 840 HD2 PHE 112 HD2 PHE 112 3.887 0.673 0.277 841 HE1 PHE 112 HE1 PHE 112 -1.017 0.859 0.745 842 HE2 PHE 112 HE2 PHE 112 2.604 2.681 -0.510 843 HZ PHE 112 HZ PHE 112 0.167 2.750 -0.266 844 H ILE 113 H ILE 113 2.183 -2.933 3.971 845 HA ILE 113 HA ILE 113 0.430 -1.103 5.092 846 HB ILE 113 HB ILE 113 1.154 -3.951 5.545 847 1HG1 ILE 113 1HG1 ILE 113 -1.660 -3.280 5.382 848 2HG1 ILE 113 2HG1 ILE 113 -0.776 -2.518 4.075 849 1HG2 ILE 113 1HG2 ILE 113 -0.498 -2.305 7.474 850 2HG2 ILE 113 2HG2 ILE 113 -0.552 -4.081 7.376 851 3HG2 ILE 113 3HG2 ILE 113 0.962 -3.260 7.823 852 1HD1 ILE 113 1HD1 ILE 113 0.275 -4.718 3.507 853 2HD1 ILE 113 2HD1 ILE 113 -0.670 -5.481 4.807 854 3HD1 ILE 113 3HD1 ILE 113 -1.501 -4.773 3.401 855 H ALA 114 H ALA 114 3.615 -2.312 6.174 856 HA ALA 114 HA ALA 114 3.420 -1.290 8.796 857 1HB ALA 114 1HB ALA 114 5.292 -2.521 8.941 858 2HB ALA 114 2HB ALA 114 5.260 -2.768 7.178 859 3HB ALA 114 3HB ALA 114 6.137 -1.381 7.867 860 H TYR 115 H TYR 115 5.442 -0.169 6.053 861 HA TYR 115 HA TYR 115 6.220 2.284 7.021 862 1HB TYR 115 1HB TYR 115 6.424 0.956 4.649 863 2HB TYR 115 2HB TYR 115 5.341 2.280 4.190 864 HD1 TYR 115 HD1 TYR 115 8.732 1.368 5.255 865 HD2 TYR 115 HD2 TYR 115 6.090 4.617 4.298 866 HE1 TYR 115 HE1 TYR 115 10.678 2.894 5.064 867 HE2 TYR 115 HE2 TYR 115 8.036 6.143 4.107 868 HH TYR 115 HH TYR 115 10.873 5.764 5.319 869 H LEU 116 H LEU 116 2.977 1.351 5.799 870 HA LEU 116 HA LEU 116 2.085 4.048 5.612 871 1HB LEU 116 1HB LEU 116 1.100 1.393 5.048 872 2HB LEU 116 2HB LEU 116 -0.115 2.325 5.899 873 HG LEU 116 HG LEU 116 -0.259 3.942 4.204 874 1HD1 LEU 116 1HD1 LEU 116 2.461 2.979 3.401 875 2HD1 LEU 116 2HD1 LEU 116 1.410 3.747 2.187 876 3HD1 LEU 116 3HD1 LEU 116 1.862 4.635 3.662 877 1HD2 LEU 116 1HD2 LEU 116 0.096 1.193 2.999 878 2HD2 LEU 116 2HD2 LEU 116 -1.409 2.003 3.496 879 3HD2 LEU 116 3HD2 LEU 116 -0.511 2.589 2.075 880 H LEU 117 H LEU 117 1.989 1.439 8.085 881 HA LEU 117 HA LEU 117 0.560 3.228 9.878 882 1HB LEU 117 1HB LEU 117 0.044 1.381 11.141 883 2HB LEU 117 2HB LEU 117 0.015 0.760 9.503 884 HG LEU 117 HG LEU 117 2.601 0.223 10.199 885 1HD1 LEU 117 1HD1 LEU 117 1.472 0.955 12.626 886 2HD1 LEU 117 2HD1 LEU 117 1.423 -0.824 12.650 887 3HD1 LEU 117 3HD1 LEU 117 2.968 0.020 12.386 888 1HD2 LEU 117 1HD2 LEU 117 0.589 -1.204 9.273 889 2HD2 LEU 117 2HD2 LEU 117 2.005 -1.982 10.020 890 3HD2 LEU 117 3HD2 LEU 117 0.506 -1.775 10.957 891 H THR 118 H THR 118 3.397 3.678 8.870 892 HA THR 118 HA THR 118 4.671 3.726 11.528 893 HB THR 118 HB THR 118 5.501 2.274 9.298 894 HG1 THR 118 HG1 THR 118 7.472 2.251 10.638 895 1HG2 THR 118 1HG2 THR 118 6.122 4.673 8.335 896 2HG2 THR 118 2HG2 THR 118 7.427 4.609 9.544 897 3HG2 THR 118 3HG2 THR 118 7.334 3.371 8.269 898 H GLU 119 H GLU 119 2.863 5.647 9.876 899 HA GLU 119 HA GLU 119 4.681 7.886 10.249 900 1HB GLU 119 1HB GLU 119 2.899 7.343 7.848 901 2HB GLU 119 2HB GLU 119 3.444 8.963 8.234 902 1HG GLU 119 1HG GLU 119 5.844 8.010 8.269 903 2HG GLU 119 2HG GLU 119 5.179 6.541 7.583 904 H THR 120 H THR 120 3.846 9.271 11.747 905 HA THR 120 HA THR 120 0.910 9.336 12.007 906 HB THR 120 HB THR 120 1.253 9.571 14.402 907 HG1 THR 120 HG1 THR 120 4.094 9.593 13.674 908 1HG2 THR 120 1HG2 THR 120 2.371 7.317 13.004 909 2HG2 THR 120 2HG2 THR 120 3.503 7.740 14.311 910 3HG2 THR 120 3HG2 THR 120 1.803 7.373 14.690 911 H LYS 121 H LYS 121 2.611 10.917 10.163 912 HA LYS 121 HA LYS 121 1.434 13.400 10.654 913 1HB LYS 121 1HB LYS 121 3.389 14.768 11.182 914 2HB LYS 121 2HB LYS 121 3.052 13.618 12.460 915 1HG LYS 121 1HG LYS 121 5.249 13.035 12.289 916 2HG LYS 121 2HG LYS 121 4.772 12.154 10.851 917 1HD LYS 121 1HD LYS 121 6.202 13.479 9.687 918 2HD LYS 121 2HD LYS 121 5.057 14.785 9.917 919 1HE LYS 121 1HE LYS 121 6.321 15.796 11.568 920 2HE LYS 121 2HE LYS 121 6.858 14.271 12.245 921 1HZ LYS 121 1HZ LYS 121 7.838 14.839 9.608 922 2HZ LYS 121 2HZ LYS 121 8.383 15.845 10.773 923 3HZ LYS 121 3HZ LYS 121 8.624 14.236 10.906 924 HA PRO 122 HA PRO 122 2.295 13.595 6.377 925 1HB PRO 122 1HB PRO 122 1.964 16.298 5.962 926 2HB PRO 122 2HB PRO 122 0.608 15.193 6.359 927 1HG PRO 122 1HG PRO 122 2.182 17.045 8.238 928 2HG PRO 122 2HG PRO 122 0.426 16.769 8.002 929 1HD PRO 122 1HD PRO 122 1.959 15.521 9.969 930 2HD PRO 122 2HD PRO 122 0.505 14.774 9.239 931 H THR 123 H THR 123 3.824 14.728 4.747 932 HA THR 123 HA THR 123 6.354 15.245 6.138 933 HB THR 123 HB THR 123 5.679 14.432 3.261 934 HG1 THR 123 HG1 THR 123 6.964 13.111 5.546 935 1HG2 THR 123 1HG2 THR 123 7.914 15.715 3.655 936 2HG2 THR 123 2HG2 THR 123 8.385 14.331 4.669 937 3HG2 THR 123 3HG2 THR 123 8.041 14.090 2.939 938 H LYS 124 H LYS 124 4.542 16.452 3.231 939 HA LYS 124 HA LYS 124 4.309 18.495 2.425 940 1HB LYS 124 1HB LYS 124 4.783 19.047 5.305 941 2HB LYS 124 2HB LYS 124 5.021 20.399 4.216 942 1HG LYS 124 1HG LYS 124 2.626 19.053 3.369 943 2HG LYS 124 2HG LYS 124 2.531 19.217 5.111 944 1HD LYS 124 1HD LYS 124 3.363 21.581 3.395 945 2HD LYS 124 2HD LYS 124 1.667 21.186 3.590 946 1HE LYS 124 1HE LYS 124 2.029 21.246 6.122 947 2HE LYS 124 2HE LYS 124 3.648 21.843 5.819 948 1HZ LYS 124 1HZ LYS 124 1.531 23.235 4.457 949 2HZ LYS 124 2HZ LYS 124 1.559 23.411 6.080 950 3HZ LYS 124 3HZ LYS 124 2.864 23.826 5.190 No H/Q in entry = 950 Start of MODEL 16 1 H1 ASP 1 H1 ASP 1 -9.167 -0.020 16.623 2 H2 ASP 1 H2 ASP 1 -9.493 1.587 16.396 3 H3 ASP 1 H3 ASP 1 -10.509 0.440 15.769 4 HA ASP 1 HA ASP 1 -9.362 0.074 14.040 5 1HB ASP 1 1HB ASP 1 -7.541 2.397 14.553 6 2HB ASP 1 2HB ASP 1 -8.514 2.043 13.139 7 H VAL 2 H VAL 2 -7.012 -0.120 13.003 8 HA VAL 2 HA VAL 2 -4.834 -0.656 13.137 9 HB VAL 2 HB VAL 2 -4.982 -0.802 16.138 10 1HG1 VAL 2 1HG1 VAL 2 -2.763 -0.175 14.163 11 2HG1 VAL 2 2HG1 VAL 2 -2.602 -0.077 15.933 12 3HG1 VAL 2 3HG1 VAL 2 -2.939 -1.642 15.155 13 1HG2 VAL 2 1HG2 VAL 2 -5.483 1.534 14.512 14 2HG2 VAL 2 2HG2 VAL 2 -5.489 1.365 16.284 15 3HG2 VAL 2 3HG2 VAL 2 -3.971 1.735 15.431 16 H THR 3 H THR 3 -7.153 -2.227 15.397 17 HA THR 3 HA THR 3 -6.042 -4.667 15.743 18 HB THR 3 HB THR 3 -8.915 -3.775 15.217 19 HG1 THR 3 HG1 THR 3 -8.829 -3.789 17.515 20 1HG2 THR 3 1HG2 THR 3 -8.121 -6.438 15.025 21 2HG2 THR 3 2HG2 THR 3 -8.439 -6.268 16.768 22 3HG2 THR 3 3HG2 THR 3 -9.721 -5.901 15.589 23 H ASN 4 H ASN 4 -7.579 -3.434 12.746 24 HA ASN 4 HA ASN 4 -7.322 -5.977 11.503 25 1HB ASN 4 1HB ASN 4 -7.678 -3.448 9.892 26 2HB ASN 4 2HB ASN 4 -8.476 -4.997 9.700 27 1HD2 ASN 4 2HD2 ASN 4 -9.185 -5.377 12.434 28 2HD2 ASN 4 1HD2 ASN 4 -10.465 -4.280 12.833 29 H ALA 5 H ALA 5 -5.816 -2.674 11.221 30 HA ALA 5 HA ALA 5 -4.025 -3.186 9.207 31 1HB ALA 5 1HB ALA 5 -3.167 -1.497 11.530 32 2HB ALA 5 2HB ALA 5 -4.666 -1.044 10.683 33 3HB ALA 5 3HB ALA 5 -3.132 -1.142 9.786 34 H GLU 6 H GLU 6 -3.565 -3.584 12.788 35 HA GLU 6 HA GLU 6 -0.983 -4.542 12.583 36 1HB GLU 6 1HB GLU 6 -1.814 -3.767 14.708 37 2HB GLU 6 2HB GLU 6 -3.148 -4.903 14.689 38 1HG GLU 6 1HG GLU 6 -1.452 -5.772 16.200 39 2HG GLU 6 2HG GLU 6 -1.489 -6.804 14.784 40 H LYS 7 H LYS 7 -4.165 -6.143 12.294 41 HA LYS 7 HA LYS 7 -3.250 -8.778 12.531 42 1HB LYS 7 1HB LYS 7 -5.617 -8.005 12.721 43 2HB LYS 7 2HB LYS 7 -5.645 -7.734 10.991 44 1HG LYS 7 1HG LYS 7 -6.363 -9.902 10.872 45 2HG LYS 7 2HG LYS 7 -4.668 -10.306 11.068 46 1HD LYS 7 1HD LYS 7 -5.049 -11.235 13.104 47 2HD LYS 7 2HD LYS 7 -5.842 -9.782 13.681 48 1HE LYS 7 1HE LYS 7 -7.598 -11.331 13.806 49 2HE LYS 7 2HE LYS 7 -7.890 -10.623 12.230 50 1HZ LYS 7 1HZ LYS 7 -6.096 -12.874 12.284 51 2HZ LYS 7 2HZ LYS 7 -7.659 -13.204 12.620 52 3HZ LYS 7 3HZ LYS 7 -7.260 -12.495 11.204 53 H LEU 8 H LEU 8 -3.780 -6.647 9.646 54 HA LEU 8 HA LEU 8 -3.086 -8.475 7.717 55 1HB LEU 8 1HB LEU 8 -2.724 -5.483 7.847 56 2HB LEU 8 2HB LEU 8 -2.413 -6.427 6.403 57 HG LEU 8 HG LEU 8 -5.006 -5.728 7.708 58 1HD1 LEU 8 1HD1 LEU 8 -3.684 -5.405 5.119 59 2HD1 LEU 8 2HD1 LEU 8 -5.370 -5.959 4.983 60 3HD1 LEU 8 3HD1 LEU 8 -4.994 -4.463 5.870 61 1HD2 LEU 8 1HD2 LEU 8 -4.478 -8.327 6.270 62 2HD2 LEU 8 2HD2 LEU 8 -5.306 -8.049 7.821 63 3HD2 LEU 8 3HD2 LEU 8 -6.088 -7.568 6.296 64 H VAL 9 H VAL 9 -0.975 -6.314 9.697 65 HA VAL 9 HA VAL 9 1.411 -6.960 8.426 66 HB VAL 9 HB VAL 9 0.859 -6.183 11.297 67 1HG1 VAL 9 1HG1 VAL 9 3.305 -6.933 10.006 68 2HG1 VAL 9 2HG1 VAL 9 3.360 -5.190 10.365 69 3HG1 VAL 9 3HG1 VAL 9 3.048 -6.359 11.671 70 1HG2 VAL 9 1HG2 VAL 9 0.026 -4.685 9.353 71 2HG2 VAL 9 2HG2 VAL 9 0.984 -3.937 10.653 72 3HG2 VAL 9 3HG2 VAL 9 1.749 -4.324 9.093 73 H TYR 10 H TYR 10 -0.041 -8.288 11.423 74 HA TYR 10 HA TYR 10 1.889 -10.399 11.675 75 1HB TYR 10 1HB TYR 10 0.411 -9.340 13.475 76 2HB TYR 10 2HB TYR 10 -0.910 -10.327 12.827 77 HD1 TYR 10 HD1 TYR 10 -0.934 -12.747 13.107 78 HD2 TYR 10 HD2 TYR 10 2.282 -10.362 14.663 79 HE1 TYR 10 HE1 TYR 10 -0.185 -14.662 14.494 80 HE2 TYR 10 HE2 TYR 10 3.031 -12.277 16.050 81 HH TYR 10 HH TYR 10 1.170 -15.047 16.627 82 H LYS 11 H LYS 11 -0.565 -9.917 9.365 83 HA LYS 11 HA LYS 11 -1.138 -12.776 9.196 84 1HB LYS 11 1HB LYS 11 -2.492 -10.281 8.288 85 2HB LYS 11 2HB LYS 11 -2.663 -11.692 7.263 86 1HG LYS 11 1HG LYS 11 -3.197 -11.732 10.269 87 2HG LYS 11 2HG LYS 11 -4.447 -11.445 9.075 88 1HD LYS 11 1HD LYS 11 -3.450 -13.707 8.004 89 2HD LYS 11 2HD LYS 11 -2.914 -13.978 9.650 90 1HE LYS 11 1HE LYS 11 -5.387 -13.379 10.323 91 2HE LYS 11 2HE LYS 11 -5.759 -13.651 8.633 92 1HZ LYS 11 1HZ LYS 11 -4.597 -15.833 8.928 93 2HZ LYS 11 2HZ LYS 11 -4.635 -15.568 10.539 94 3HZ LYS 11 3HZ LYS 11 -6.030 -15.684 9.698 95 H TYR 12 H TYR 12 -0.570 -10.160 6.818 96 HA TYR 12 HA TYR 12 0.419 -11.770 4.764 97 1HB TYR 12 1HB TYR 12 1.041 -8.900 5.524 98 2HB TYR 12 2HB TYR 12 1.554 -9.645 4.001 99 HD1 TYR 12 HD1 TYR 12 -0.316 -10.686 2.520 100 HD2 TYR 12 HD2 TYR 12 -1.045 -7.862 5.674 101 HE1 TYR 12 HE1 TYR 12 -2.505 -10.115 1.504 102 HE2 TYR 12 HE2 TYR 12 -3.234 -7.292 4.658 103 HH TYR 12 HH TYR 12 -4.949 -8.823 2.859 104 H THR 13 H THR 13 1.959 -10.859 7.808 105 HA THR 13 HA THR 13 4.625 -11.284 6.822 106 HB THR 13 HB THR 13 3.379 -10.944 9.598 107 HG1 THR 13 HG1 THR 13 5.074 -9.315 7.841 108 1HG2 THR 13 1HG2 THR 13 5.630 -12.138 9.670 109 2HG2 THR 13 2HG2 THR 13 6.320 -10.774 8.759 110 3HG2 THR 13 3HG2 THR 13 5.664 -10.511 10.392 111 H ASN 14 H ASN 14 2.288 -13.142 8.867 112 HA ASN 14 HA ASN 14 3.931 -15.260 9.354 113 1HB ASN 14 1HB ASN 14 1.046 -14.688 9.432 114 2HB ASN 14 2HB ASN 14 1.330 -16.355 8.972 115 1HD2 ASN 14 2HD2 ASN 14 1.825 -17.801 10.462 116 2HD2 ASN 14 1HD2 ASN 14 2.218 -17.481 12.119 117 H ILE 15 H ILE 15 1.438 -14.827 6.725 118 HA ILE 15 HA ILE 15 1.823 -17.195 5.405 119 HB ILE 15 HB ILE 15 0.967 -14.455 4.536 120 1HG1 ILE 15 1HG1 ILE 15 -0.907 -16.630 4.161 121 2HG1 ILE 15 2HG1 ILE 15 -0.294 -16.637 5.803 122 1HG2 ILE 15 1HG2 ILE 15 1.229 -16.905 2.775 123 2HG2 ILE 15 2HG2 ILE 15 0.264 -15.465 2.368 124 3HG2 ILE 15 3HG2 ILE 15 2.027 -15.328 2.568 125 1HD1 ILE 15 1HD1 ILE 15 -0.731 -14.033 5.717 126 2HD1 ILE 15 2HD1 ILE 15 -1.794 -14.447 4.351 127 3HD1 ILE 15 3HD1 ILE 15 -2.102 -15.142 5.960 128 H ALA 16 H ALA 16 3.538 -14.040 4.886 129 HA ALA 16 HA ALA 16 5.164 -14.821 2.826 130 1HB ALA 16 1HB ALA 16 5.214 -12.792 5.003 131 2HB ALA 16 2HB ALA 16 5.397 -12.589 3.244 132 3HB ALA 16 3HB ALA 16 6.778 -13.136 4.225 133 H HIS 17 H HIS 17 5.905 -14.972 6.385 134 HA HIS 17 HA HIS 17 8.327 -16.287 6.055 135 1HB HIS 17 1HB HIS 17 7.607 -15.097 8.093 136 2HB HIS 17 2HB HIS 17 6.414 -16.341 8.406 137 HD1 HIS 17 HD1 HIS 17 10.188 -15.853 8.263 138 HD2 HIS 17 HD2 HIS 17 7.367 -18.596 9.715 139 HE1 HIS 17 HE1 HIS 17 11.484 -17.519 9.696 140 H SER 18 H SER 18 4.965 -17.432 6.058 141 HA SER 18 HA SER 18 5.611 -20.126 6.497 142 1HB SER 18 1HB SER 18 3.355 -19.263 6.909 143 2HB SER 18 2HB SER 18 3.180 -18.793 5.230 144 HG SER 18 HG SER 18 3.145 -20.982 4.596 145 H ALA 19 H ALA 19 6.096 -17.996 3.842 146 HA ALA 19 HA ALA 19 6.049 -20.197 1.911 147 1HB ALA 19 1HB ALA 19 4.795 -18.277 1.194 148 2HB ALA 19 2HB ALA 19 6.315 -18.277 0.268 149 3HB ALA 19 3HB ALA 19 6.113 -17.169 1.647 150 H ASN 20 H ASN 20 8.122 -17.672 3.426 151 HA ASN 20 HA ASN 20 10.388 -19.270 2.576 152 1HB ASN 20 1HB ASN 20 9.749 -16.696 1.515 153 2HB ASN 20 2HB ASN 20 11.059 -16.415 2.644 154 1HD2 ASN 20 2HD2 ASN 20 11.793 -15.843 0.289 155 2HD2 ASN 20 1HD2 ASN 20 12.741 -17.055 -0.507 156 HA PRO 21 HA PRO 21 11.138 -18.687 6.948 157 1HB PRO 21 1HB PRO 21 13.553 -19.986 7.040 158 2HB PRO 21 2HB PRO 21 11.999 -20.849 6.801 159 1HG PRO 21 1HG PRO 21 13.909 -19.939 4.902 160 2HG PRO 21 2HG PRO 21 13.238 -21.601 4.836 161 1HD PRO 21 1HD PRO 21 12.279 -19.730 3.171 162 2HD PRO 21 2HD PRO 21 11.113 -20.764 4.051 163 H MET 22 H MET 22 12.643 -17.140 4.293 164 HA MET 22 HA MET 22 14.774 -16.007 5.822 165 1HB MET 22 1HB MET 22 13.656 -15.185 3.086 166 2HB MET 22 2HB MET 22 15.240 -14.777 3.715 167 1HG MET 22 1HG MET 22 14.778 -17.684 3.775 168 2HG MET 22 2HG MET 22 14.587 -17.039 2.158 169 1HE MET 22 1HE MET 22 16.122 -15.825 0.873 170 2HE MET 22 2HE MET 22 17.892 -15.970 0.988 171 3HE MET 22 3HE MET 22 16.898 -17.417 0.697 172 H TYR 23 H TYR 23 11.585 -15.075 4.575 173 HA TYR 23 HA TYR 23 11.793 -12.344 5.595 174 1HB TYR 23 1HB TYR 23 10.557 -13.089 3.497 175 2HB TYR 23 2HB TYR 23 9.346 -13.808 4.571 176 HD1 TYR 23 HD1 TYR 23 7.930 -12.381 6.005 177 HD2 TYR 23 HD2 TYR 23 10.708 -10.702 3.191 178 HE1 TYR 23 HE1 TYR 23 6.785 -10.189 6.182 179 HE2 TYR 23 HE2 TYR 23 9.562 -8.510 3.369 180 HH TYR 23 HH TYR 23 8.078 -7.260 4.888 181 H GLU 24 H GLU 24 11.149 -11.639 7.624 182 HA GLU 24 HA GLU 24 9.562 -13.569 9.132 183 1HB GLU 24 1HB GLU 24 11.746 -11.720 10.193 184 2HB GLU 24 2HB GLU 24 10.750 -12.768 11.182 185 1HG GLU 24 1HG GLU 24 11.818 -14.402 9.082 186 2HG GLU 24 2HG GLU 24 13.147 -13.431 9.684 187 H ALA 25 H ALA 25 10.428 -10.107 8.588 188 HA ALA 25 HA ALA 25 7.713 -9.331 8.865 189 1HB ALA 25 1HB ALA 25 9.176 -7.814 10.884 190 2HB ALA 25 2HB ALA 25 9.130 -9.549 11.279 191 3HB ALA 25 3HB ALA 25 7.613 -8.657 11.011 192 HA PRO 26 HA PRO 26 9.130 -5.821 6.650 193 1HB PRO 26 1HB PRO 26 7.824 -3.872 8.468 194 2HB PRO 26 2HB PRO 26 7.377 -4.388 6.809 195 1HG PRO 26 1HG PRO 26 5.700 -5.275 8.985 196 2HG PRO 26 2HG PRO 26 6.117 -6.089 7.441 197 1HD PRO 26 1HD PRO 26 7.536 -6.275 10.169 198 2HD PRO 26 2HD PRO 26 6.818 -7.609 9.217 199 H SER 27 H SER 27 10.268 -3.522 6.885 200 HA SER 27 HA SER 27 11.740 -3.385 9.363 201 1HB SER 27 1HB SER 27 12.877 -4.680 7.186 202 2HB SER 27 2HB SER 27 13.476 -3.045 6.981 203 HG SER 27 HG SER 27 13.649 -4.501 9.478 204 H ILE 28 H ILE 28 9.638 -1.877 7.640 205 HA ILE 28 HA ILE 28 9.269 0.165 6.801 206 HB ILE 28 HB ILE 28 9.798 1.953 8.429 207 1HG1 ILE 28 1HG1 ILE 28 11.110 -0.174 10.128 208 2HG1 ILE 28 2HG1 ILE 28 12.040 0.873 9.074 209 1HG2 ILE 28 1HG2 ILE 28 8.395 -0.579 9.048 210 2HG2 ILE 28 2HG2 ILE 28 8.724 0.491 10.431 211 3HG2 ILE 28 3HG2 ILE 28 7.802 1.099 9.035 212 1HD1 ILE 28 1HD1 ILE 28 10.488 2.750 10.312 213 2HD1 ILE 28 2HD1 ILE 28 10.590 1.526 11.600 214 3HD1 ILE 28 3HD1 ILE 28 12.077 2.234 10.925 215 H THR 29 H THR 29 11.681 -1.165 5.719 216 HA THR 29 HA THR 29 12.995 1.268 4.768 217 HB THR 29 HB THR 29 14.283 -1.130 6.135 218 HG1 THR 29 HG1 THR 29 14.587 0.572 7.515 219 1HG2 THR 29 1HG2 THR 29 15.426 0.727 4.016 220 2HG2 THR 29 2HG2 THR 29 16.458 0.162 5.352 221 3HG2 THR 29 3HG2 THR 29 15.716 -1.015 4.241 222 H ASP 30 H ASP 30 11.007 -1.075 3.961 223 HA ASP 30 HA ASP 30 12.457 -1.666 1.501 224 1HB ASP 30 1HB ASP 30 11.319 -3.451 3.312 225 2HB ASP 30 2HB ASP 30 10.042 -3.283 2.125 226 H GLY 31 H GLY 31 9.386 -0.701 3.106 227 1HA GLY 31 1HA GLY 31 7.416 0.064 2.279 228 2HA GLY 31 2HA GLY 31 7.891 -0.432 0.667 229 H LYS 32 H LYS 32 10.174 0.944 0.068 230 HA LYS 32 HA LYS 32 9.232 3.710 0.195 231 1HB LYS 32 1HB LYS 32 11.552 2.686 1.529 232 2HB LYS 32 2HB LYS 32 12.085 3.728 0.226 233 1HG LYS 32 1HG LYS 32 9.962 4.508 2.280 234 2HG LYS 32 2HG LYS 32 11.654 4.947 2.402 235 1HD LYS 32 1HD LYS 32 11.079 5.774 -0.174 236 2HD LYS 32 2HD LYS 32 9.537 6.042 0.614 237 1HE LYS 32 1HE LYS 32 11.205 7.093 2.515 238 2HE LYS 32 2HE LYS 32 12.172 7.391 1.084 239 1HZ LYS 32 1HZ LYS 32 9.374 8.047 0.877 240 2HZ LYS 32 2HZ LYS 32 10.256 8.993 1.873 241 3HZ LYS 32 3HZ LYS 32 10.677 8.846 0.302 242 H ILE 33 H ILE 33 11.939 1.729 -1.215 243 HA ILE 33 HA ILE 33 11.864 3.170 -3.639 244 HB ILE 33 HB ILE 33 13.120 0.531 -2.884 245 1HG1 ILE 33 1HG1 ILE 33 14.535 3.166 -3.254 246 2HG1 ILE 33 2HG1 ILE 33 13.784 2.761 -1.723 247 1HG2 ILE 33 1HG2 ILE 33 12.646 0.976 -5.388 248 2HG2 ILE 33 2HG2 ILE 33 13.936 2.196 -5.253 249 3HG2 ILE 33 3HG2 ILE 33 14.285 0.488 -4.893 250 1HD1 ILE 33 1HD1 ILE 33 15.483 0.618 -2.938 251 2HD1 ILE 33 2HD1 ILE 33 16.337 2.066 -2.351 252 3HD1 ILE 33 3HD1 ILE 33 15.324 1.117 -1.236 253 H PHE 34 H PHE 34 10.131 0.367 -2.354 254 HA PHE 34 HA PHE 34 9.303 -0.628 -4.870 255 1HB PHE 34 1HB PHE 34 9.289 -2.040 -2.870 256 2HB PHE 34 2HB PHE 34 8.413 -0.837 -1.945 257 HD1 PHE 34 HD1 PHE 34 6.123 -1.068 -1.675 258 HD2 PHE 34 HD2 PHE 34 8.006 -3.034 -4.930 259 HE1 PHE 34 HE1 PHE 34 3.961 -2.213 -2.234 260 HE2 PHE 34 HE2 PHE 34 5.843 -4.180 -5.490 261 HZ PHE 34 HZ PHE 34 3.847 -3.755 -4.135 262 H PHE 35 H PHE 35 8.362 2.099 -2.914 263 HA PHE 35 HA PHE 35 5.803 2.246 -4.335 264 1HB PHE 35 1HB PHE 35 5.769 2.308 -1.825 265 2HB PHE 35 2HB PHE 35 6.963 3.590 -1.822 266 HD1 PHE 35 HD1 PHE 35 3.534 2.854 -3.091 267 HD2 PHE 35 HD2 PHE 35 6.253 5.790 -1.677 268 HE1 PHE 35 HE1 PHE 35 1.698 4.565 -3.113 269 HE2 PHE 35 HE2 PHE 35 4.416 7.501 -1.699 270 HZ PHE 35 HZ PHE 35 2.161 6.868 -2.416 271 H ASN 36 H ASN 36 8.880 3.125 -4.892 272 HA ASN 36 HA ASN 36 8.014 5.641 -6.055 273 1HB ASN 36 1HB ASN 36 10.573 5.125 -4.462 274 2HB ASN 36 2HB ASN 36 10.415 6.493 -5.546 275 1HD2 ASN 36 2HD2 ASN 36 8.661 4.833 -2.931 276 2HD2 ASN 36 1HD2 ASN 36 8.084 6.249 -2.117 277 H ARG 37 H ARG 37 8.540 2.704 -6.893 278 HA ARG 37 HA ARG 37 10.848 3.079 -8.586 279 1HB ARG 37 1HB ARG 37 10.647 0.952 -7.298 280 2HB ARG 37 2HB ARG 37 9.108 0.616 -8.064 281 1HG ARG 37 1HG ARG 37 10.078 0.071 -10.117 282 2HG ARG 37 2HG ARG 37 11.445 1.142 -9.883 283 1HD ARG 37 1HD ARG 37 11.991 -0.579 -7.876 284 2HD ARG 37 2HD ARG 37 11.038 -1.668 -8.864 285 HE ARG 37 HE ARG 37 12.840 -1.805 -10.331 286 1HH1 ARG 37 1HH1 ARG 37 14.826 -1.206 -11.290 287 2HH1 ARG 37 2HH1 ARG 37 15.573 0.299 -10.865 288 1HH2 ARG 37 1HH2 ARG 37 13.052 1.249 -8.597 289 2HH2 ARG 37 2HH2 ARG 37 14.557 1.704 -9.323 290 H LYS 38 H LYS 38 10.516 3.878 -10.637 291 HA LYS 38 HA LYS 38 7.895 4.043 -11.712 292 1HB LYS 38 1HB LYS 38 9.442 5.812 -12.149 293 2HB LYS 38 2HB LYS 38 10.644 4.708 -12.787 294 1HG LYS 38 1HG LYS 38 8.742 4.061 -14.521 295 2HG LYS 38 2HG LYS 38 8.032 5.591 -14.046 296 1HD LYS 38 1HD LYS 38 10.803 5.149 -15.244 297 2HD LYS 38 2HD LYS 38 9.451 5.973 -15.995 298 1HE LYS 38 1HE LYS 38 10.821 6.916 -13.430 299 2HE LYS 38 2HE LYS 38 11.188 7.539 -15.026 300 1HZ LYS 38 1HZ LYS 38 8.403 7.538 -14.354 301 2HZ LYS 38 2HZ LYS 38 9.319 8.535 -13.440 302 3HZ LYS 38 3HZ LYS 38 9.303 8.700 -15.065 303 H PHE 39 H PHE 39 6.923 2.073 -12.096 304 HA PHE 39 HA PHE 39 8.455 0.189 -13.733 305 1HB PHE 39 1HB PHE 39 6.654 -1.400 -12.886 306 2HB PHE 39 2HB PHE 39 7.562 -0.666 -11.579 307 HD1 PHE 39 HD1 PHE 39 4.376 -0.466 -13.454 308 HD2 PHE 39 HD2 PHE 39 6.483 0.650 -9.944 309 HE1 PHE 39 HE1 PHE 39 2.237 0.362 -12.433 310 HE2 PHE 39 HE2 PHE 39 4.345 1.478 -8.923 311 HZ PHE 39 HZ PHE 39 2.247 1.324 -10.180 312 H LYS 40 H LYS 40 7.148 -1.058 -15.395 313 HA LYS 40 HA LYS 40 5.279 0.804 -16.679 314 1HB LYS 40 1HB LYS 40 7.585 -0.128 -17.703 315 2HB LYS 40 2HB LYS 40 6.528 -1.434 -18.201 316 1HG LYS 40 1HG LYS 40 5.561 1.389 -18.637 317 2HG LYS 40 2HG LYS 40 6.835 0.796 -19.685 318 1HD LYS 40 1HD LYS 40 4.643 -1.161 -19.327 319 2HD LYS 40 2HD LYS 40 4.096 0.348 -20.030 320 1HE LYS 40 1HE LYS 40 6.486 -1.245 -21.075 321 2HE LYS 40 2HE LYS 40 4.866 -1.376 -21.730 322 1HZ LYS 40 1HZ LYS 40 5.895 1.299 -21.496 323 2HZ LYS 40 2HZ LYS 40 6.643 0.355 -22.598 324 3HZ LYS 40 3HZ LYS 40 5.034 0.615 -22.703 325 H THR 41 H THR 41 3.214 0.138 -17.237 326 HA THR 41 HA THR 41 2.500 -2.557 -16.285 327 HB THR 41 HB THR 41 0.781 -1.544 -15.159 328 HG1 THR 41 HG1 THR 41 -0.696 -0.324 -16.448 329 1HG2 THR 41 1HG2 THR 41 2.626 0.279 -14.924 330 2HG2 THR 41 2HG2 THR 41 1.766 1.143 -16.221 331 3HG2 THR 41 3HG2 THR 41 0.946 0.811 -14.676 332 HA PRO 42 HA PRO 42 1.285 -3.576 -20.344 333 1HB PRO 42 1HB PRO 42 -0.173 -5.777 -19.897 334 2HB PRO 42 2HB PRO 42 1.532 -5.718 -19.345 335 1HG PRO 42 1HG PRO 42 -0.832 -5.029 -17.898 336 2HG PRO 42 2HG PRO 42 0.278 -6.194 -17.105 337 1HD PRO 42 1HD PRO 42 0.406 -3.652 -16.355 338 2HD PRO 42 2HD PRO 42 1.947 -4.445 -16.804 339 H SER 43 H SER 43 -0.141 -1.275 -19.360 340 HA SER 43 HA SER 43 -2.397 -1.426 -20.915 341 1HB SER 43 1HB SER 43 -3.506 -2.820 -19.326 342 2HB SER 43 2HB SER 43 -2.882 -1.917 -17.960 343 HG SER 43 HG SER 43 -4.207 -0.081 -18.683 344 H GLY 44 H GLY 44 -0.525 0.418 -21.023 345 1HA GLY 44 1HA GLY 44 -1.103 2.633 -19.211 346 2HA GLY 44 2HA GLY 44 -1.537 2.856 -20.894 347 H LYS 45 H LYS 45 1.074 2.700 -18.556 348 HA LYS 45 HA LYS 45 3.265 2.283 -20.143 349 1HB LYS 45 1HB LYS 45 1.973 4.783 -20.799 350 2HB LYS 45 2HB LYS 45 3.558 5.096 -20.121 351 1HG LYS 45 1HG LYS 45 4.673 3.832 -21.795 352 2HG LYS 45 2HG LYS 45 3.234 2.922 -22.209 353 1HD LYS 45 1HD LYS 45 2.659 4.440 -23.794 354 2HD LYS 45 2HD LYS 45 2.703 5.746 -22.626 355 1HE LYS 45 1HE LYS 45 4.412 6.468 -24.016 356 2HE LYS 45 2HE LYS 45 5.362 5.471 -22.933 357 1HZ LYS 45 1HZ LYS 45 4.427 3.747 -24.804 358 2HZ LYS 45 2HZ LYS 45 4.803 5.079 -25.671 359 3HZ LYS 45 3HZ LYS 45 5.937 4.366 -24.737 360 H GLU 46 H GLU 46 5.291 3.490 -19.122 361 HA GLU 46 HA GLU 46 5.743 2.708 -16.716 362 1HB GLU 46 1HB GLU 46 7.262 4.677 -16.362 363 2HB GLU 46 2HB GLU 46 7.409 3.966 -17.957 364 1HG GLU 46 1HG GLU 46 6.731 5.882 -18.978 365 2HG GLU 46 2HG GLU 46 5.325 6.023 -17.942 366 H ALA 47 H ALA 47 5.259 3.119 -14.542 367 HA ALA 47 HA ALA 47 3.719 5.486 -13.899 368 1HB ALA 47 1HB ALA 47 2.652 2.652 -13.597 369 2HB ALA 47 2HB ALA 47 1.949 4.076 -12.793 370 3HB ALA 47 3HB ALA 47 1.953 3.970 -14.569 371 H ALA 48 H ALA 48 2.991 4.828 -11.298 372 HA ALA 48 HA ALA 48 4.984 3.436 -9.891 373 1HB ALA 48 1HB ALA 48 5.462 6.318 -10.494 374 2HB ALA 48 2HB ALA 48 6.622 5.015 -10.142 375 3HB ALA 48 3HB ALA 48 5.739 5.804 -8.812 376 H CYS 49 H CYS 49 4.477 3.348 -7.627 377 HA CYS 49 HA CYS 49 1.772 3.687 -7.080 378 1HB CYS 49 1HB CYS 49 4.000 3.412 -5.056 379 2HB CYS 49 2HB CYS 49 2.305 3.031 -4.824 380 H ALA 50 H ALA 50 4.409 5.913 -7.209 381 HA ALA 50 HA ALA 50 3.119 7.756 -5.343 382 1HB ALA 50 1HB ALA 50 5.428 7.590 -4.897 383 2HB ALA 50 2HB ALA 50 5.295 9.071 -5.876 384 3HB ALA 50 3HB ALA 50 5.854 7.555 -6.624 385 H SER 51 H SER 51 2.659 6.819 -8.445 386 HA SER 51 HA SER 51 2.804 9.324 -9.749 387 1HB SER 51 1HB SER 51 1.770 8.168 -11.632 388 2HB SER 51 2HB SER 51 2.995 7.129 -10.931 389 HG SER 51 HG SER 51 0.600 6.353 -11.435 390 H CYS 52 H CYS 52 0.452 7.583 -7.773 391 HA CYS 52 HA CYS 52 -1.497 9.690 -8.373 392 1HB CYS 52 1HB CYS 52 -2.076 6.823 -7.556 393 2HB CYS 52 2HB CYS 52 -3.276 8.078 -7.790 394 H HIS 53 H HIS 53 -0.169 7.387 -6.015 395 HA HIS 53 HA HIS 53 -1.285 8.862 -3.718 396 1HB HIS 53 1HB HIS 53 0.603 6.446 -3.804 397 2HB HIS 53 2HB HIS 53 -0.355 7.051 -2.385 398 HD1 HIS 53 HD1 HIS 53 -3.086 7.178 -3.244 399 HD2 HIS 53 HD2 HIS 53 -0.569 4.183 -4.715 400 HE1 HIS 53 HE1 HIS 53 -4.626 5.264 -4.025 401 H THR 54 H THR 54 0.934 9.873 -5.749 402 HA THR 54 HA THR 54 2.842 11.032 -5.664 403 HB THR 54 HB THR 54 2.894 12.672 -3.742 404 HG1 THR 54 HG1 THR 54 2.141 11.464 -1.989 405 1HG2 THR 54 1HG2 THR 54 0.136 12.027 -4.904 406 2HG2 THR 54 2HG2 THR 54 0.475 13.477 -3.929 407 3HG2 THR 54 3HG2 THR 54 1.285 13.250 -5.497 408 H ASN 55 H ASN 55 4.928 11.547 -4.325 409 HA ASN 55 HA ASN 55 6.226 9.205 -3.975 410 1HB ASN 55 1HB ASN 55 7.935 10.586 -2.688 411 2HB ASN 55 2HB ASN 55 7.446 11.309 -4.208 412 1HD2 ASN 55 2HD2 ASN 55 6.381 13.207 -4.259 413 2HD2 ASN 55 1HD2 ASN 55 6.014 14.181 -2.874 414 H ASN 56 H ASN 56 4.031 10.914 -1.819 415 HA ASN 56 HA ASN 56 4.613 8.928 0.226 416 1HB ASN 56 1HB ASN 56 5.283 11.550 0.586 417 2HB ASN 56 2HB ASN 56 3.605 11.637 1.084 418 1HD2 ASN 56 2HD2 ASN 56 3.927 11.957 3.213 419 2HD2 ASN 56 1HD2 ASN 56 4.622 10.802 4.300 420 HA PRO 57 HA PRO 57 0.217 8.348 -0.356 421 1HB PRO 57 1HB PRO 57 -0.173 6.439 1.530 422 2HB PRO 57 2HB PRO 57 0.831 6.120 0.078 423 1HG PRO 57 1HG PRO 57 2.045 6.867 2.881 424 2HG PRO 57 2HG PRO 57 2.256 5.554 1.677 425 1HD PRO 57 1HD PRO 57 3.727 7.943 1.722 426 2HD PRO 57 2HD PRO 57 3.443 6.974 0.244 427 H ALA 58 H ALA 58 1.671 8.890 2.942 428 HA ALA 58 HA ALA 58 -0.704 9.547 4.217 429 1HB ALA 58 1HB ALA 58 2.121 9.563 4.734 430 2HB ALA 58 2HB ALA 58 1.444 11.122 5.265 431 3HB ALA 58 3HB ALA 58 0.778 9.598 5.902 432 H ASN 59 H ASN 59 1.005 11.160 1.676 433 HA ASN 59 HA ASN 59 0.017 13.746 2.421 434 1HB ASN 59 1HB ASN 59 2.254 13.087 1.115 435 2HB ASN 59 2HB ASN 59 1.210 13.073 -0.292 436 1HD2 ASN 59 2HD2 ASN 59 3.382 14.824 0.172 437 2HD2 ASN 59 1HD2 ASN 59 2.792 16.451 0.246 438 H VAL 60 H VAL 60 -1.048 14.994 0.351 439 HA VAL 60 HA VAL 60 -3.435 13.542 -0.239 440 HB VAL 60 HB VAL 60 -2.362 16.291 -0.787 441 1HG1 VAL 60 1HG1 VAL 60 -4.716 14.949 -2.108 442 2HG1 VAL 60 2HG1 VAL 60 -4.730 16.700 -1.788 443 3HG1 VAL 60 3HG1 VAL 60 -3.464 15.995 -2.820 444 1HG2 VAL 60 1HG2 VAL 60 -3.469 15.484 1.420 445 2HG2 VAL 60 2HG2 VAL 60 -3.999 17.026 0.707 446 3HG2 VAL 60 3HG2 VAL 60 -4.990 15.563 0.499 447 H GLY 61 H GLY 61 -3.701 12.139 -1.890 448 1HA GLY 61 1HA GLY 61 -2.951 10.887 -3.672 449 2HA GLY 61 2HA GLY 61 -1.705 12.072 -4.010 450 H LYS 62 H LYS 62 -2.989 11.209 -6.206 451 HA LYS 62 HA LYS 62 -5.363 12.685 -6.753 452 1HB LYS 62 1HB LYS 62 -3.927 14.585 -6.887 453 2HB LYS 62 2HB LYS 62 -2.720 13.710 -7.809 454 1HG LYS 62 1HG LYS 62 -4.385 13.433 -9.681 455 2HG LYS 62 2HG LYS 62 -5.547 14.370 -8.763 456 1HD LYS 62 1HD LYS 62 -4.294 15.734 -10.474 457 2HD LYS 62 2HD LYS 62 -4.140 16.356 -8.843 458 1HE LYS 62 1HE LYS 62 -2.055 14.362 -9.579 459 2HE LYS 62 2HE LYS 62 -2.015 15.824 -10.544 460 1HZ LYS 62 1HZ LYS 62 -2.256 16.927 -8.226 461 2HZ LYS 62 2HZ LYS 62 -1.625 15.521 -7.687 462 3HZ LYS 62 3HZ LYS 62 -0.793 16.432 -8.755 463 H ASN 63 H ASN 63 -6.457 11.738 -8.447 464 HA ASN 63 HA ASN 63 -5.209 9.388 -9.491 465 1HB ASN 63 1HB ASN 63 -7.997 10.606 -9.638 466 2HB ASN 63 2HB ASN 63 -7.571 9.272 -10.692 467 1HD2 ASN 63 2HD2 ASN 63 -9.581 9.054 -8.856 468 2HD2 ASN 63 1HD2 ASN 63 -9.155 7.944 -7.597 469 H ILE 64 H ILE 64 -4.369 9.221 -11.599 470 HA ILE 64 HA ILE 64 -4.331 11.634 -13.176 471 HB ILE 64 HB ILE 64 -2.633 10.611 -14.418 472 1HG1 ILE 64 1HG1 ILE 64 -3.374 7.930 -13.210 473 2HG1 ILE 64 2HG1 ILE 64 -3.838 8.463 -14.814 474 1HG2 ILE 64 1HG2 ILE 64 -2.551 10.587 -11.550 475 2HG2 ILE 64 2HG2 ILE 64 -1.556 9.254 -12.183 476 3HG2 ILE 64 3HG2 ILE 64 -1.249 10.924 -12.716 477 1HD1 ILE 64 1HD1 ILE 64 -1.180 8.955 -14.992 478 2HD1 ILE 64 2HD1 ILE 64 -1.144 7.646 -13.786 479 3HD1 ILE 64 3HD1 ILE 64 -1.885 7.368 -15.380 480 H VAL 65 H VAL 65 -6.687 9.464 -12.674 481 HA VAL 65 HA VAL 65 -7.286 8.862 -15.439 482 HB VAL 65 HB VAL 65 -8.676 8.284 -12.818 483 1HG1 VAL 65 1HG1 VAL 65 -10.320 8.511 -14.648 484 2HG1 VAL 65 2HG1 VAL 65 -9.417 7.306 -15.598 485 3HG1 VAL 65 3HG1 VAL 65 -10.193 6.834 -14.067 486 1HG2 VAL 65 1HG2 VAL 65 -6.487 7.049 -14.161 487 2HG2 VAL 65 2HG2 VAL 65 -7.330 6.513 -12.688 488 3HG2 VAL 65 3HG2 VAL 65 -7.884 5.952 -14.284 489 H THR 66 H THR 66 -8.805 10.695 -12.691 490 HA THR 66 HA THR 66 -10.271 12.239 -14.725 491 HB THR 66 HB THR 66 -11.865 12.664 -12.828 492 HG1 THR 66 HG1 THR 66 -11.321 11.550 -10.829 493 1HG2 THR 66 1HG2 THR 66 -11.776 10.351 -14.237 494 2HG2 THR 66 2HG2 THR 66 -11.361 9.697 -12.635 495 3HG2 THR 66 3HG2 THR 66 -12.897 10.566 -12.872 496 H GLY 67 H GLY 67 -8.032 12.376 -11.962 497 1HA GLY 67 1HA GLY 67 -7.221 15.023 -12.774 498 2HA GLY 67 2HA GLY 67 -6.533 14.028 -11.506 499 H LYS 68 H LYS 68 -9.041 13.474 -10.076 500 HA LYS 68 HA LYS 68 -10.097 16.066 -9.380 501 1HB LYS 68 1HB LYS 68 -10.745 13.215 -8.692 502 2HB LYS 68 2HB LYS 68 -11.340 14.503 -7.665 503 1HG LYS 68 1HG LYS 68 -11.698 14.988 -10.585 504 2HG LYS 68 2HG LYS 68 -12.599 13.621 -9.961 505 1HD LYS 68 1HD LYS 68 -12.709 16.080 -8.269 506 2HD LYS 68 2HD LYS 68 -13.467 16.231 -9.841 507 1HE LYS 68 1HE LYS 68 -15.245 14.977 -9.185 508 2HE LYS 68 2HE LYS 68 -14.201 13.672 -8.656 509 1HZ LYS 68 1HZ LYS 68 -13.790 15.284 -6.687 510 2HZ LYS 68 2HZ LYS 68 -15.234 15.908 -7.125 511 3HZ LYS 68 3HZ LYS 68 -15.118 14.333 -6.710 512 H GLU 69 H GLU 69 -9.466 13.606 -6.901 513 HA GLU 69 HA GLU 69 -7.063 14.576 -5.979 514 1HB GLU 69 1HB GLU 69 -7.614 16.063 -4.189 515 2HB GLU 69 2HB GLU 69 -8.485 16.662 -5.588 516 1HG GLU 69 1HG GLU 69 -10.527 15.370 -4.795 517 2HG GLU 69 2HG GLU 69 -9.642 14.942 -3.344 518 H ILE 70 H ILE 70 -6.293 12.899 -4.764 519 HA ILE 70 HA ILE 70 -8.306 11.204 -3.464 520 HB ILE 70 HB ILE 70 -5.537 10.514 -4.456 521 1HG1 ILE 70 1HG1 ILE 70 -7.512 11.003 -6.119 522 2HG1 ILE 70 2HG1 ILE 70 -6.447 9.633 -6.363 523 1HG2 ILE 70 1HG2 ILE 70 -7.609 8.985 -2.917 524 2HG2 ILE 70 2HG2 ILE 70 -6.556 8.135 -4.074 525 3HG2 ILE 70 3HG2 ILE 70 -5.841 9.036 -2.716 526 1HD1 ILE 70 1HD1 ILE 70 -8.749 9.042 -4.585 527 2HD1 ILE 70 2HD1 ILE 70 -9.203 9.482 -6.250 528 3HD1 ILE 70 3HD1 ILE 70 -8.104 8.112 -5.959 529 HA PRO 71 HA PRO 71 -6.865 13.225 0.239 530 1HB PRO 71 1HB PRO 71 -8.468 10.928 1.369 531 2HB PRO 71 2HB PRO 71 -8.553 12.688 1.701 532 1HG PRO 71 1HG PRO 71 -10.302 11.462 0.266 533 2HG PRO 71 2HG PRO 71 -9.978 13.182 -0.125 534 1HD PRO 71 1HD PRO 71 -9.219 10.678 -1.591 535 2HD PRO 71 2HD PRO 71 -9.311 12.360 -2.197 536 HA PRO 72 HA PRO 72 -3.390 11.045 1.767 537 1HB PRO 72 1HB PRO 72 -4.283 10.479 4.440 538 2HB PRO 72 2HB PRO 72 -3.342 11.897 3.872 539 1HG PRO 72 1HG PRO 72 -6.224 11.563 4.220 540 2HG PRO 72 2HG PRO 72 -5.527 13.160 4.647 541 1HD PRO 72 1HD PRO 72 -6.762 13.080 2.362 542 2HD PRO 72 2HD PRO 72 -5.043 13.566 2.246 543 H LEU 73 H LEU 73 -2.864 8.916 1.268 544 HA LEU 73 HA LEU 73 -4.976 6.987 1.240 545 1HB LEU 73 1HB LEU 73 -3.490 6.918 -0.566 546 2HB LEU 73 2HB LEU 73 -2.074 7.003 0.464 547 HG LEU 73 HG LEU 73 -2.970 4.678 1.359 548 1HD1 LEU 73 1HD1 LEU 73 -4.609 5.180 -1.030 549 2HD1 LEU 73 2HD1 LEU 73 -3.783 3.604 -1.021 550 3HD1 LEU 73 3HD1 LEU 73 -4.856 4.054 0.326 551 1HD2 LEU 73 1HD2 LEU 73 -1.210 5.451 -0.873 552 2HD2 LEU 73 2HD2 LEU 73 -0.907 4.393 0.526 553 3HD2 LEU 73 3HD2 LEU 73 -1.756 3.757 -0.903 554 H ALA 74 H ALA 74 -2.275 7.901 3.359 555 HA ALA 74 HA ALA 74 -1.739 5.727 4.798 556 1HB ALA 74 1HB ALA 74 -2.238 8.599 5.591 557 2HB ALA 74 2HB ALA 74 -0.696 7.721 5.452 558 3HB ALA 74 3HB ALA 74 -1.788 7.390 6.818 559 HA PRO 75 HA PRO 75 -5.953 4.390 5.710 560 1HB PRO 75 1HB PRO 75 -4.432 1.935 6.501 561 2HB PRO 75 2HB PRO 75 -5.757 2.154 5.311 562 1HG PRO 75 1HG PRO 75 -3.162 1.712 4.408 563 2HG PRO 75 2HG PRO 75 -4.474 2.704 3.695 564 1HD PRO 75 1HD PRO 75 -2.125 3.553 5.480 565 2HD PRO 75 2HD PRO 75 -2.652 4.261 3.923 566 H ARG 76 H ARG 76 -3.030 4.782 7.633 567 HA ARG 76 HA ARG 76 -4.495 4.088 10.021 568 1HB ARG 76 1HB ARG 76 -2.016 3.413 9.516 569 2HB ARG 76 2HB ARG 76 -1.615 5.077 9.891 570 1HG ARG 76 1HG ARG 76 -3.255 4.384 12.032 571 2HG ARG 76 2HG ARG 76 -2.422 2.876 11.711 572 1HD ARG 76 1HD ARG 76 -0.236 4.321 11.654 573 2HD ARG 76 2HD ARG 76 -1.201 5.574 12.409 574 HE ARG 76 HE ARG 76 -1.377 2.943 13.723 575 1HH1 ARG 76 1HH1 ARG 76 -0.593 2.796 15.865 576 2HH1 ARG 76 2HH1 ARG 76 0.370 4.076 16.524 577 1HH2 ARG 76 1HH2 ARG 76 0.271 6.050 13.608 578 2HH2 ARG 76 2HH2 ARG 76 0.865 5.939 15.232 579 H VAL 77 H VAL 77 -2.766 6.833 8.424 580 HA VAL 77 HA VAL 77 -3.023 8.704 10.436 581 HB VAL 77 HB VAL 77 -2.936 8.901 7.429 582 1HG1 VAL 77 1HG1 VAL 77 -3.245 11.070 9.476 583 2HG1 VAL 77 2HG1 VAL 77 -2.202 11.362 8.063 584 3HG1 VAL 77 3HG1 VAL 77 -3.917 10.945 7.832 585 1HG2 VAL 77 1HG2 VAL 77 -0.942 8.023 8.661 586 2HG2 VAL 77 2HG2 VAL 77 -0.630 9.524 7.756 587 3HG2 VAL 77 3HG2 VAL 77 -0.845 9.578 9.523 588 H ASN 78 H ASN 78 -5.348 7.635 7.908 589 HA ASN 78 HA ASN 78 -7.249 9.559 8.896 590 1HB ASN 78 1HB ASN 78 -7.762 7.433 6.769 591 2HB ASN 78 2HB ASN 78 -8.581 8.970 6.966 592 1HD2 ASN 78 2HD2 ASN 78 -7.830 8.636 4.557 593 2HD2 ASN 78 1HD2 ASN 78 -6.383 9.480 4.117 594 H THR 79 H THR 79 -9.108 8.944 10.117 595 HA THR 79 HA THR 79 -9.038 6.265 11.222 596 HB THR 79 HB THR 79 -10.944 7.359 12.627 597 HG1 THR 79 HG1 THR 79 -11.440 9.404 11.923 598 1HG2 THR 79 1HG2 THR 79 -8.051 8.107 12.556 599 2HG2 THR 79 2HG2 THR 79 -9.107 9.275 13.385 600 3HG2 THR 79 3HG2 THR 79 -9.049 7.583 13.934 601 H LYS 80 H LYS 80 -10.274 7.604 8.424 602 HA LYS 80 HA LYS 80 -12.598 5.810 8.514 603 1HB LYS 80 1HB LYS 80 -12.108 8.413 7.068 604 2HB LYS 80 2HB LYS 80 -13.328 7.283 6.517 605 1HG LYS 80 1HG LYS 80 -14.456 7.354 8.709 606 2HG LYS 80 2HG LYS 80 -13.179 8.352 9.374 607 1HD LYS 80 1HD LYS 80 -13.927 9.812 7.128 608 2HD LYS 80 2HD LYS 80 -15.456 9.116 7.627 609 1HE LYS 80 1HE LYS 80 -13.906 10.146 9.919 610 2HE LYS 80 2HE LYS 80 -14.233 11.392 8.732 611 1HZ LYS 80 1HZ LYS 80 -16.528 9.850 9.099 612 2HZ LYS 80 2HZ LYS 80 -15.985 10.327 10.563 613 3HZ LYS 80 3HZ LYS 80 -16.310 11.438 9.411 614 H ARG 81 H ARG 81 -10.088 4.642 8.207 615 HA ARG 81 HA ARG 81 -10.360 3.754 5.479 616 1HB ARG 81 1HB ARG 81 -7.769 4.792 6.718 617 2HB ARG 81 2HB ARG 81 -7.771 3.743 5.314 618 1HG ARG 81 1HG ARG 81 -9.516 6.213 5.276 619 2HG ARG 81 2HG ARG 81 -7.789 6.403 5.043 620 1HD ARG 81 1HD ARG 81 -8.056 4.470 3.261 621 2HD ARG 81 2HD ARG 81 -9.762 4.865 3.320 622 HE ARG 81 HE ARG 81 -7.600 6.562 2.245 623 1HH1 ARG 81 1HH1 ARG 81 -8.231 8.424 1.081 624 2HH1 ARG 81 2HH1 ARG 81 -9.875 8.965 1.139 625 1HH2 ARG 81 1HH2 ARG 81 -10.958 6.387 3.282 626 2HH2 ARG 81 2HH2 ARG 81 -11.437 7.799 2.399 627 H PHE 82 H PHE 82 -8.794 1.714 5.172 628 HA PHE 82 HA PHE 82 -8.680 -0.435 5.782 629 1HB PHE 82 1HB PHE 82 -7.046 1.330 7.599 630 2HB PHE 82 2HB PHE 82 -7.209 -0.327 8.146 631 HD1 PHE 82 HD1 PHE 82 -4.745 -0.515 7.903 632 HD2 PHE 82 HD2 PHE 82 -7.263 0.215 4.567 633 HE1 PHE 82 HE1 PHE 82 -2.895 -1.208 6.355 634 HE2 PHE 82 HE2 PHE 82 -5.413 -0.478 3.019 635 HZ PHE 82 HZ PHE 82 -3.251 -1.181 3.931 636 H THR 83 H THR 83 -11.132 -0.324 6.301 637 HA THR 83 HA THR 83 -11.540 -0.796 9.178 638 HB THR 83 HB THR 83 -13.634 -0.123 7.057 639 HG1 THR 83 HG1 THR 83 -12.522 1.798 7.116 640 1HG2 THR 83 1HG2 THR 83 -13.874 -0.837 9.766 641 2HG2 THR 83 2HG2 THR 83 -13.866 0.942 9.805 642 3HG2 THR 83 3HG2 THR 83 -15.079 0.079 8.829 643 H ASP 84 H ASP 84 -13.069 -1.862 6.064 644 HA ASP 84 HA ASP 84 -13.715 -4.337 7.255 645 1HB ASP 84 1HB ASP 84 -15.072 -3.243 5.455 646 2HB ASP 84 2HB ASP 84 -13.745 -3.452 4.330 647 H ILE 85 H ILE 85 -12.194 -5.976 7.526 648 HA ILE 85 HA ILE 85 -9.666 -5.892 6.334 649 HB ILE 85 HB ILE 85 -11.205 -8.013 7.815 650 1HG1 ILE 85 1HG1 ILE 85 -8.694 -6.789 8.837 651 2HG1 ILE 85 2HG1 ILE 85 -10.094 -5.739 8.754 652 1HG2 ILE 85 1HG2 ILE 85 -8.857 -8.366 6.160 653 2HG2 ILE 85 2HG2 ILE 85 -8.494 -8.709 7.869 654 3HG2 ILE 85 3HG2 ILE 85 -9.819 -9.570 7.050 655 1HD1 ILE 85 1HD1 ILE 85 -10.049 -8.475 10.109 656 2HD1 ILE 85 2HD1 ILE 85 -9.945 -6.909 10.949 657 3HD1 ILE 85 3HD1 ILE 85 -11.429 -7.352 10.072 658 H ASP 86 H ASP 86 -12.712 -7.619 5.499 659 HA ASP 86 HA ASP 86 -11.779 -9.327 3.641 660 1HB ASP 86 1HB ASP 86 -14.092 -9.436 4.100 661 2HB ASP 86 2HB ASP 86 -14.318 -7.711 3.896 662 H LYS 87 H LYS 87 -13.332 -6.132 2.801 663 HA LYS 87 HA LYS 87 -12.545 -5.974 0.214 664 1HB LYS 87 1HB LYS 87 -13.762 -4.296 2.104 665 2HB LYS 87 2HB LYS 87 -12.402 -3.370 1.501 666 1HG LYS 87 1HG LYS 87 -13.137 -3.842 -0.853 667 2HG LYS 87 2HG LYS 87 -14.508 -4.743 -0.237 668 1HD LYS 87 1HD LYS 87 -15.258 -2.650 0.994 669 2HD LYS 87 2HD LYS 87 -13.951 -1.775 0.221 670 1HE LYS 87 1HE LYS 87 -15.027 -2.826 -2.011 671 2HE LYS 87 2HE LYS 87 -16.461 -2.918 -1.008 672 1HZ LYS 87 1HZ LYS 87 -15.476 -0.445 -0.532 673 2HZ LYS 87 2HZ LYS 87 -15.222 -0.640 -2.133 674 3HZ LYS 87 3HZ LYS 87 -16.727 -0.802 -1.520 675 H VAL 88 H VAL 88 -10.789 -4.286 2.917 676 HA VAL 88 HA VAL 88 -8.622 -3.438 1.625 677 HB VAL 88 HB VAL 88 -9.217 -4.392 4.337 678 1HG1 VAL 88 1HG1 VAL 88 -6.432 -4.559 3.220 679 2HG1 VAL 88 2HG1 VAL 88 -6.675 -4.034 4.903 680 3HG1 VAL 88 3HG1 VAL 88 -7.262 -5.629 4.375 681 1HG2 VAL 88 1HG2 VAL 88 -9.240 -1.998 3.326 682 2HG2 VAL 88 2HG2 VAL 88 -8.575 -2.236 4.959 683 3HG2 VAL 88 3HG2 VAL 88 -7.478 -2.051 3.570 684 H GLU 89 H GLU 89 -9.288 -6.839 2.599 685 HA GLU 89 HA GLU 89 -6.815 -7.598 1.289 686 1HB GLU 89 1HB GLU 89 -7.185 -8.516 3.539 687 2HB GLU 89 2HB GLU 89 -8.737 -9.173 3.057 688 1HG GLU 89 1HG GLU 89 -7.715 -10.768 1.557 689 2HG GLU 89 2HG GLU 89 -6.162 -9.958 1.633 690 H ASP 90 H ASP 90 -7.843 -6.962 -0.843 691 HA ASP 90 HA ASP 90 -8.722 -9.264 -2.134 692 1HB ASP 90 1HB ASP 90 -10.798 -7.207 -1.359 693 2HB ASP 90 2HB ASP 90 -10.953 -8.001 -2.914 694 H GLU 91 H GLU 91 -9.564 -5.716 -2.362 695 HA GLU 91 HA GLU 91 -9.022 -5.507 -5.045 696 1HB GLU 91 1HB GLU 91 -9.200 -3.129 -4.730 697 2HB GLU 91 2HB GLU 91 -10.297 -3.871 -3.583 698 1HG GLU 91 1HG GLU 91 -8.768 -3.522 -1.740 699 2HG GLU 91 2HG GLU 91 -7.444 -3.125 -2.818 700 H PHE 92 H PHE 92 -6.890 -5.227 -2.184 701 HA PHE 92 HA PHE 92 -4.724 -3.970 -3.205 702 1HB PHE 92 1HB PHE 92 -5.453 -5.780 -1.066 703 2HB PHE 92 2HB PHE 92 -3.967 -6.407 -1.751 704 HD1 PHE 92 HD1 PHE 92 -2.467 -4.017 -2.451 705 HD2 PHE 92 HD2 PHE 92 -4.915 -4.759 0.935 706 HE1 PHE 92 HE1 PHE 92 -1.150 -2.337 -1.131 707 HE2 PHE 92 HE2 PHE 92 -3.598 -3.079 2.255 708 HZ PHE 92 HZ PHE 92 -1.731 -1.888 1.206 709 H THR 93 H THR 93 -5.879 -7.272 -3.919 710 HA THR 93 HA THR 93 -3.440 -7.921 -5.346 711 HB THR 93 HB THR 93 -5.943 -9.300 -4.403 712 HG1 THR 93 HG1 THR 93 -4.266 -10.407 -3.424 713 1HG2 THR 93 1HG2 THR 93 -4.340 -10.063 -6.876 714 2HG2 THR 93 2HG2 THR 93 -5.020 -11.323 -5.819 715 3HG2 THR 93 3HG2 THR 93 -6.099 -10.159 -6.624 716 H LYS 94 H LYS 94 -6.886 -7.147 -6.073 717 HA LYS 94 HA LYS 94 -6.584 -7.508 -8.849 718 1HB LYS 94 1HB LYS 94 -8.629 -5.676 -7.622 719 2HB LYS 94 2HB LYS 94 -8.778 -6.731 -9.013 720 1HG LYS 94 1HG LYS 94 -8.180 -8.573 -7.054 721 2HG LYS 94 2HG LYS 94 -9.038 -7.373 -6.109 722 1HD LYS 94 1HD LYS 94 -11.003 -8.175 -6.899 723 2HD LYS 94 2HD LYS 94 -10.540 -7.685 -8.517 724 1HE LYS 94 1HE LYS 94 -9.161 -9.918 -8.578 725 2HE LYS 94 2HE LYS 94 -10.115 -10.385 -7.184 726 1HZ LYS 94 1HZ LYS 94 -12.082 -9.743 -8.614 727 2HZ LYS 94 2HZ LYS 94 -11.056 -9.780 -9.883 728 3HZ LYS 94 3HZ LYS 94 -11.306 -11.128 -8.996 729 H HIS 95 H HIS 95 -5.671 -5.068 -6.624 730 HA HIS 95 HA HIS 95 -5.589 -2.816 -8.439 731 1HB HIS 95 1HB HIS 95 -5.692 -2.897 -5.850 732 2HB HIS 95 2HB HIS 95 -3.900 -3.183 -5.920 733 HD1 HIS 95 HD1 HIS 95 -5.329 -0.848 -8.390 734 HD2 HIS 95 HD2 HIS 95 -3.569 -0.658 -4.604 735 HE1 HIS 95 HE1 HIS 95 -4.723 1.627 -8.002 736 H CYS 96 H CYS 96 -3.009 -4.949 -7.081 737 HA CYS 96 HA CYS 96 -0.914 -3.936 -8.708 738 1HB CYS 96 1HB CYS 96 -1.382 -6.475 -7.136 739 2HB CYS 96 2HB CYS 96 0.072 -6.291 -8.149 740 H ASN 97 H ASN 97 -3.483 -6.372 -9.303 741 HA ASN 97 HA ASN 97 -2.158 -7.420 -11.564 742 1HB ASN 97 1HB ASN 97 -4.743 -7.789 -10.149 743 2HB ASN 97 2HB ASN 97 -4.894 -7.972 -11.886 744 1HD2 ASN 97 2HD2 ASN 97 -4.991 -9.880 -9.594 745 2HD2 ASN 97 1HD2 ASN 97 -3.878 -11.151 -9.974 746 H ASP 98 H ASP 98 -3.977 -4.556 -10.826 747 HA ASP 98 HA ASP 98 -4.487 -4.153 -13.670 748 1HB ASP 98 1HB ASP 98 -6.042 -3.456 -11.194 749 2HB ASP 98 2HB ASP 98 -6.069 -2.274 -12.488 750 H ILE 99 H ILE 99 -2.131 -3.605 -11.638 751 HA ILE 99 HA ILE 99 -1.825 -0.788 -12.382 752 HB ILE 99 HB ILE 99 -1.330 -2.026 -9.677 753 1HG1 ILE 99 1HG1 ILE 99 -3.654 -1.171 -10.387 754 2HG1 ILE 99 2HG1 ILE 99 -2.996 -0.632 -8.854 755 1HG2 ILE 99 1HG2 ILE 99 -0.326 0.568 -10.847 756 2HG2 ILE 99 2HG2 ILE 99 -0.525 0.326 -9.095 757 3HG2 ILE 99 3HG2 ILE 99 0.588 -0.713 -10.017 758 1HD1 ILE 99 1HD1 ILE 99 -2.837 0.933 -11.472 759 2HD1 ILE 99 2HD1 ILE 99 -3.972 1.258 -10.140 760 3HD1 ILE 99 3HD1 ILE 99 -2.224 1.482 -9.894 761 H LEU 100 H LEU 100 -0.305 -3.888 -11.327 762 HA LEU 100 HA LEU 100 2.143 -3.010 -12.677 763 1HB LEU 100 1HB LEU 100 1.611 -5.093 -10.562 764 2HB LEU 100 2HB LEU 100 3.127 -4.988 -11.435 765 HG LEU 100 HG LEU 100 2.307 -2.425 -10.265 766 1HD1 LEU 100 1HD1 LEU 100 2.388 -4.873 -8.564 767 2HD1 LEU 100 2HD1 LEU 100 3.157 -3.394 -7.940 768 3HD1 LEU 100 3HD1 LEU 100 1.435 -3.379 -8.391 769 1HD2 LEU 100 1HD2 LEU 100 4.613 -3.489 -11.210 770 2HD2 LEU 100 2HD2 LEU 100 4.528 -2.104 -10.095 771 3HD2 LEU 100 3HD2 LEU 100 4.830 -3.740 -9.461 772 H GLY 101 H GLY 101 -0.421 -5.506 -12.554 773 1HA GLY 101 1HA GLY 101 0.568 -6.487 -15.161 774 2HA GLY 101 2HA GLY 101 -1.111 -6.435 -14.661 775 H ALA 102 H ALA 102 -0.050 -7.267 -11.800 776 HA ALA 102 HA ALA 102 -0.526 -10.043 -12.198 777 1HB ALA 102 1HB ALA 102 2.034 -9.459 -12.742 778 2HB ALA 102 2HB ALA 102 1.569 -10.948 -11.884 779 3HB ALA 102 3HB ALA 102 2.160 -9.540 -10.968 780 H ASP 103 H ASP 103 0.198 -11.123 -9.830 781 HA ASP 103 HA ASP 103 -1.252 -9.424 -7.999 782 1HB ASP 103 1HB ASP 103 -1.431 -12.116 -8.565 783 2HB ASP 103 2HB ASP 103 -0.378 -12.157 -7.165 784 H CYS 104 H CYS 104 0.047 -8.129 -6.800 785 HA CYS 104 HA CYS 104 2.766 -8.184 -6.451 786 1HB CYS 104 1HB CYS 104 0.477 -7.199 -4.764 787 2HB CYS 104 2HB CYS 104 2.129 -7.131 -4.102 788 H SER 105 H SER 105 4.090 -8.741 -4.399 789 HA SER 105 HA SER 105 3.490 -11.472 -3.801 790 1HB SER 105 1HB SER 105 5.712 -11.626 -3.029 791 2HB SER 105 2HB SER 105 5.820 -10.439 -4.313 792 HG SER 105 HG SER 105 6.556 -9.040 -2.882 793 HA PRO 106 HA PRO 106 1.677 -10.878 0.162 794 1HB PRO 106 1HB PRO 106 2.584 -13.097 1.502 795 2HB PRO 106 2HB PRO 106 1.425 -13.193 0.136 796 1HG PRO 106 1HG PRO 106 4.259 -13.500 0.173 797 2HG PRO 106 2HG PRO 106 3.183 -14.660 -0.672 798 1HD PRO 106 1HD PRO 106 4.492 -12.790 -2.090 799 2HD PRO 106 2HD PRO 106 2.756 -13.063 -2.428 800 H SER 107 H SER 107 5.096 -10.697 -0.396 801 HA SER 107 HA SER 107 5.624 -10.166 2.391 802 1HB SER 107 1HB SER 107 7.963 -10.159 1.776 803 2HB SER 107 2HB SER 107 7.211 -11.529 0.983 804 HG SER 107 HG SER 107 8.468 -9.330 -0.131 805 H GLU 108 H GLU 108 5.711 -8.557 -0.852 806 HA GLU 108 HA GLU 108 6.592 -6.104 0.120 807 1HB GLU 108 1HB GLU 108 5.852 -5.227 -2.084 808 2HB GLU 108 2HB GLU 108 6.758 -6.718 -2.250 809 1HG GLU 108 1HG GLU 108 4.821 -6.898 -3.691 810 2HG GLU 108 2HG GLU 108 4.560 -7.983 -2.341 811 H LYS 109 H LYS 109 3.530 -7.736 0.323 812 HA LYS 109 HA LYS 109 1.931 -5.374 0.475 813 1HB LYS 109 1HB LYS 109 1.175 -7.675 -0.287 814 2HB LYS 109 2HB LYS 109 1.227 -8.172 1.392 815 1HG LYS 109 1HG LYS 109 -0.949 -7.439 1.409 816 2HG LYS 109 2HG LYS 109 -0.213 -5.870 1.667 817 1HD LYS 109 1HD LYS 109 -1.735 -5.547 -0.149 818 2HD LYS 109 2HD LYS 109 -0.149 -5.604 -0.893 819 1HE LYS 109 1HE LYS 109 -1.738 -6.997 -2.172 820 2HE LYS 109 2HE LYS 109 -0.483 -8.002 -1.474 821 1HZ LYS 109 1HZ LYS 109 -2.585 -7.745 0.346 822 2HZ LYS 109 2HZ LYS 109 -3.194 -8.218 -1.093 823 3HZ LYS 109 3HZ LYS 109 -2.021 -9.098 -0.373 824 H ALA 110 H ALA 110 2.850 -7.903 2.925 825 HA ALA 110 HA ALA 110 1.951 -6.550 5.132 826 1HB ALA 110 1HB ALA 110 4.468 -8.002 5.571 827 2HB ALA 110 2HB ALA 110 2.833 -8.343 6.186 828 3HB ALA 110 3HB ALA 110 3.311 -8.911 4.569 829 H ASN 111 H ASN 111 4.746 -5.919 3.078 830 HA ASN 111 HA ASN 111 6.182 -4.451 4.985 831 1HB ASN 111 1HB ASN 111 7.309 -5.333 2.993 832 2HB ASN 111 2HB ASN 111 6.210 -4.481 1.926 833 1HD2 ASN 111 2HD2 ASN 111 7.803 -3.383 4.900 834 2HD2 ASN 111 1HD2 ASN 111 8.711 -2.082 4.204 835 H PHE 112 H PHE 112 4.397 -3.414 1.968 836 HA PHE 112 HA PHE 112 4.418 -0.750 2.292 837 1HB PHE 112 1HB PHE 112 3.385 -2.081 0.414 838 2HB PHE 112 2HB PHE 112 2.105 -2.614 1.485 839 HD1 PHE 112 HD1 PHE 112 0.135 -1.371 1.676 840 HD2 PHE 112 HD2 PHE 112 3.563 0.444 -0.044 841 HE1 PHE 112 HE1 PHE 112 -1.251 0.612 1.006 842 HE2 PHE 112 HE2 PHE 112 2.178 2.426 -0.715 843 HZ PHE 112 HZ PHE 112 -0.213 2.487 -0.182 844 H ILE 113 H ILE 113 2.108 -3.063 3.848 845 HA ILE 113 HA ILE 113 0.468 -1.177 5.029 846 HB ILE 113 HB ILE 113 1.186 -4.022 5.572 847 1HG1 ILE 113 1HG1 ILE 113 -1.625 -3.332 5.385 848 2HG1 ILE 113 2HG1 ILE 113 -0.736 -2.667 4.029 849 1HG2 ILE 113 1HG2 ILE 113 0.997 -3.000 7.806 850 2HG2 ILE 113 2HG2 ILE 113 -0.617 -2.383 7.375 851 3HG2 ILE 113 3HG2 ILE 113 -0.329 -4.137 7.464 852 1HD1 ILE 113 1HD1 ILE 113 -0.290 -5.540 4.905 853 2HD1 ILE 113 2HD1 ILE 113 -1.633 -5.104 3.821 854 3HD1 ILE 113 3HD1 ILE 113 0.048 -4.796 3.324 855 H ALA 114 H ALA 114 3.609 -2.571 6.103 856 HA ALA 114 HA ALA 114 3.603 -1.453 8.655 857 1HB ALA 114 1HB ALA 114 5.570 -2.549 8.755 858 2HB ALA 114 2HB ALA 114 5.267 -3.060 7.077 859 3HB ALA 114 3HB ALA 114 6.242 -1.607 7.403 860 H TYR 115 H TYR 115 5.648 -0.376 5.923 861 HA TYR 115 HA TYR 115 6.435 2.073 6.803 862 1HB TYR 115 1HB TYR 115 6.245 0.732 4.319 863 2HB TYR 115 2HB TYR 115 5.552 2.342 4.063 864 HD1 TYR 115 HD1 TYR 115 6.933 4.380 4.713 865 HD2 TYR 115 HD2 TYR 115 8.578 0.420 4.467 866 HE1 TYR 115 HE1 TYR 115 9.215 5.338 4.560 867 HE2 TYR 115 HE2 TYR 115 10.861 1.378 4.314 868 HH TYR 115 HH TYR 115 12.032 3.423 3.797 869 H LEU 116 H LEU 116 3.122 1.168 5.798 870 HA LEU 116 HA LEU 116 2.267 3.891 5.636 871 1HB LEU 116 1HB LEU 116 0.930 1.206 5.542 872 2HB LEU 116 2HB LEU 116 -0.024 2.668 5.698 873 HG LEU 116 HG LEU 116 1.752 1.829 3.407 874 1HD1 LEU 116 1HD1 LEU 116 -1.190 2.326 3.785 875 2HD1 LEU 116 2HD1 LEU 116 -0.443 2.441 2.174 876 3HD1 LEU 116 3HD1 LEU 116 -0.357 0.916 3.088 877 1HD2 LEU 116 1HD2 LEU 116 0.981 4.570 4.244 878 2HD2 LEU 116 2HD2 LEU 116 2.381 3.999 3.304 879 3HD2 LEU 116 3HD2 LEU 116 0.794 4.177 2.518 880 H LEU 117 H LEU 117 1.858 1.172 8.003 881 HA LEU 117 HA LEU 117 0.450 2.743 9.860 882 1HB LEU 117 1HB LEU 117 2.072 0.230 10.287 883 2HB LEU 117 2HB LEU 117 0.898 0.900 11.401 884 HG LEU 117 HG LEU 117 0.074 0.152 8.604 885 1HD1 LEU 117 1HD1 LEU 117 1.245 -1.806 9.488 886 2HD1 LEU 117 2HD1 LEU 117 0.236 -1.757 10.953 887 3HD1 LEU 117 3HD1 LEU 117 -0.507 -2.094 9.371 888 1HD2 LEU 117 1HD2 LEU 117 -1.275 1.397 10.615 889 2HD2 LEU 117 2HD2 LEU 117 -2.034 0.440 9.320 890 3HD2 LEU 117 3HD2 LEU 117 -1.712 -0.304 10.905 891 H THR 118 H THR 118 3.794 2.611 8.914 892 HA THR 118 HA THR 118 4.738 3.664 11.448 893 HB THR 118 HB THR 118 5.856 2.511 8.929 894 HG1 THR 118 HG1 THR 118 7.415 1.950 10.808 895 1HG2 THR 118 1HG2 THR 118 7.150 4.819 10.429 896 2HG2 THR 118 2HG2 THR 118 8.156 3.511 9.760 897 3HG2 THR 118 3HG2 THR 118 7.145 4.498 8.678 898 H GLU 119 H GLU 119 3.632 4.817 8.303 899 HA GLU 119 HA GLU 119 4.812 7.389 8.751 900 1HB GLU 119 1HB GLU 119 2.992 6.283 6.574 901 2HB GLU 119 2HB GLU 119 3.527 7.951 6.603 902 1HG GLU 119 1HG GLU 119 5.691 5.916 6.939 903 2HG GLU 119 2HG GLU 119 4.906 5.918 5.373 904 H THR 120 H THR 120 3.884 8.448 10.498 905 HA THR 120 HA THR 120 0.964 8.812 10.346 906 HB THR 120 HB THR 120 0.861 8.586 12.743 907 HG1 THR 120 HG1 THR 120 2.700 9.106 13.899 908 1HG2 THR 120 1HG2 THR 120 2.984 6.625 11.724 909 2HG2 THR 120 2HG2 THR 120 2.133 6.473 13.279 910 3HG2 THR 120 3HG2 THR 120 1.227 6.343 11.752 911 H LYS 121 H LYS 121 3.780 10.272 9.650 912 HA LYS 121 HA LYS 121 2.708 12.863 10.498 913 1HB LYS 121 1HB LYS 121 5.628 12.052 10.631 914 2HB LYS 121 2HB LYS 121 4.989 13.648 10.967 915 1HG LYS 121 1HG LYS 121 3.810 12.893 12.919 916 2HG LYS 121 2HG LYS 121 3.956 11.208 12.461 917 1HD LYS 121 1HD LYS 121 5.941 11.025 13.542 918 2HD LYS 121 2HD LYS 121 6.615 12.357 12.625 919 1HE LYS 121 1HE LYS 121 5.792 13.995 14.210 920 2HE LYS 121 2HE LYS 121 4.764 12.817 15.002 921 1HZ LYS 121 1HZ LYS 121 7.137 11.672 15.238 922 2HZ LYS 121 2HZ LYS 121 7.584 13.242 15.285 923 3HZ LYS 121 3HZ LYS 121 6.502 12.668 16.366 924 HA PRO 122 HA PRO 122 2.632 12.864 5.990 925 1HB PRO 122 1HB PRO 122 1.645 15.626 6.760 926 2HB PRO 122 2HB PRO 122 0.997 14.441 5.580 927 1HG PRO 122 1HG PRO 122 -0.153 14.780 8.041 928 2HG PRO 122 2HG PRO 122 -0.010 13.267 7.088 929 1HD PRO 122 1HD PRO 122 1.546 14.220 9.521 930 2HD PRO 122 2HD PRO 122 1.043 12.561 9.077 931 H THR 123 H THR 123 3.486 14.717 4.394 932 HA THR 123 HA THR 123 5.673 16.195 5.649 933 HB THR 123 HB THR 123 7.173 15.286 3.767 934 HG1 THR 123 HG1 THR 123 5.875 14.175 2.346 935 1HG2 THR 123 1HG2 THR 123 7.273 14.295 6.099 936 2HG2 THR 123 2HG2 THR 123 5.999 13.148 5.621 937 3HG2 THR 123 3HG2 THR 123 7.589 13.095 4.823 938 H LYS 124 H LYS 124 3.330 17.387 4.977 939 HA LYS 124 HA LYS 124 2.548 19.101 3.826 940 1HB LYS 124 1HB LYS 124 5.327 19.167 2.616 941 2HB LYS 124 2HB LYS 124 4.107 20.396 2.351 942 1HG LYS 124 1HG LYS 124 3.969 20.439 5.006 943 2HG LYS 124 2HG LYS 124 5.549 19.685 4.918 944 1HD LYS 124 1HD LYS 124 6.432 21.759 4.657 945 2HD LYS 124 2HD LYS 124 5.718 21.792 3.057 946 1HE LYS 124 1HE LYS 124 4.127 22.586 5.532 947 2HE LYS 124 2HE LYS 124 5.124 23.742 4.671 948 1HZ LYS 124 1HZ LYS 124 3.873 23.130 2.656 949 2HZ LYS 124 2HZ LYS 124 2.873 22.215 3.567 950 3HZ LYS 124 3HZ LYS 124 2.947 23.829 3.805 No H/Q in entry = 950 Start of MODEL 17 1 H1 ASP 1 H1 ASP 1 -7.937 0.750 15.253 2 H2 ASP 1 H2 ASP 1 -9.469 1.065 14.708 3 H3 ASP 1 H3 ASP 1 -8.955 -0.500 14.877 4 HA ASP 1 HA ASP 1 -8.972 -0.015 12.670 5 1HB ASP 1 1HB ASP 1 -8.379 2.576 13.490 6 2HB ASP 1 2HB ASP 1 -6.852 2.068 12.796 7 H VAL 2 H VAL 2 -6.138 0.690 14.832 8 HA VAL 2 HA VAL 2 -4.188 -0.475 13.219 9 HB VAL 2 HB VAL 2 -4.402 -0.006 16.193 10 1HG1 VAL 2 1HG1 VAL 2 -2.811 -1.882 15.606 11 2HG1 VAL 2 2HG1 VAL 2 -1.864 -0.690 14.682 12 3HG1 VAL 2 3HG1 VAL 2 -2.076 -0.491 16.438 13 1HG2 VAL 2 1HG2 VAL 2 -3.405 1.550 13.844 14 2HG2 VAL 2 2HG2 VAL 2 -4.265 2.099 15.302 15 3HG2 VAL 2 3HG2 VAL 2 -2.530 1.711 15.385 16 H THR 3 H THR 3 -6.438 -1.827 15.669 17 HA THR 3 HA THR 3 -5.422 -4.254 16.188 18 HB THR 3 HB THR 3 -8.255 -3.332 15.534 19 HG1 THR 3 HG1 THR 3 -8.241 -3.427 17.895 20 1HG2 THR 3 1HG2 THR 3 -7.320 -5.999 16.717 21 2HG2 THR 3 2HG2 THR 3 -8.992 -5.393 16.791 22 3HG2 THR 3 3HG2 THR 3 -8.258 -5.791 15.219 23 H ASN 4 H ASN 4 -7.146 -3.381 13.132 24 HA ASN 4 HA ASN 4 -6.766 -5.971 12.092 25 1HB ASN 4 1HB ASN 4 -7.194 -3.559 10.311 26 2HB ASN 4 2HB ASN 4 -7.906 -5.155 10.182 27 1HD2 ASN 4 2HD2 ASN 4 -8.568 -5.373 12.989 28 2HD2 ASN 4 1HD2 ASN 4 -9.935 -4.353 13.293 29 H ALA 5 H ALA 5 -5.252 -2.702 11.648 30 HA ALA 5 HA ALA 5 -3.519 -3.243 9.607 31 1HB ALA 5 1HB ALA 5 -2.319 -1.321 10.361 32 2HB ALA 5 2HB ALA 5 -4.016 -1.048 10.825 33 3HB ALA 5 3HB ALA 5 -2.831 -1.571 12.047 34 H GLU 6 H GLU 6 -3.071 -3.815 13.156 35 HA GLU 6 HA GLU 6 -0.487 -4.827 12.847 36 1HB GLU 6 1HB GLU 6 -1.046 -4.060 15.014 37 2HB GLU 6 2HB GLU 6 -2.572 -4.920 15.038 38 1HG GLU 6 1HG GLU 6 -0.863 -6.010 16.498 39 2HG GLU 6 2HG GLU 6 -1.420 -7.083 15.229 40 H LYS 7 H LYS 7 -3.742 -6.239 12.604 41 HA LYS 7 HA LYS 7 -2.931 -8.932 12.841 42 1HB LYS 7 1HB LYS 7 -5.235 -8.124 13.225 43 2HB LYS 7 2HB LYS 7 -5.385 -7.732 11.524 44 1HG LYS 7 1HG LYS 7 -6.253 -9.858 11.393 45 2HG LYS 7 2HG LYS 7 -4.565 -10.314 11.281 46 1HD LYS 7 1HD LYS 7 -4.557 -11.285 13.356 47 2HD LYS 7 2HD LYS 7 -5.479 -9.981 14.077 48 1HE LYS 7 1HE LYS 7 -7.353 -11.255 14.021 49 2HE LYS 7 2HE LYS 7 -7.247 -11.355 12.274 50 1HZ LYS 7 1HZ LYS 7 -5.363 -13.045 13.531 51 2HZ LYS 7 2HZ LYS 7 -6.883 -13.394 14.014 52 3HZ LYS 7 3HZ LYS 7 -6.506 -13.414 12.425 53 H LEU 8 H LEU 8 -3.455 -6.701 10.045 54 HA LEU 8 HA LEU 8 -3.024 -8.555 8.042 55 1HB LEU 8 1HB LEU 8 -2.501 -5.588 8.184 56 2HB LEU 8 2HB LEU 8 -2.326 -6.523 6.713 57 HG LEU 8 HG LEU 8 -4.800 -5.731 8.190 58 1HD1 LEU 8 1HD1 LEU 8 -3.588 -5.023 5.780 59 2HD1 LEU 8 2HD1 LEU 8 -4.970 -6.040 5.308 60 3HD1 LEU 8 3HD1 LEU 8 -5.230 -4.602 6.324 61 1HD2 LEU 8 1HD2 LEU 8 -4.489 -8.301 6.638 62 2HD2 LEU 8 2HD2 LEU 8 -5.188 -8.046 8.255 63 3HD2 LEU 8 3HD2 LEU 8 -6.055 -7.474 6.810 64 H VAL 9 H VAL 9 -0.662 -6.451 9.809 65 HA VAL 9 HA VAL 9 1.585 -7.260 8.406 66 HB VAL 9 HB VAL 9 1.217 -6.347 11.264 67 1HG1 VAL 9 1HG1 VAL 9 3.720 -6.815 9.637 68 2HG1 VAL 9 2HG1 VAL 9 3.679 -5.644 10.976 69 3HG1 VAL 9 3HG1 VAL 9 3.337 -7.363 11.286 70 1HG2 VAL 9 1HG2 VAL 9 1.481 -4.976 8.628 71 2HG2 VAL 9 2HG2 VAL 9 0.566 -4.507 10.082 72 3HG2 VAL 9 3HG2 VAL 9 2.326 -4.248 10.016 73 H TYR 10 H TYR 10 0.130 -8.530 11.416 74 HA TYR 10 HA TYR 10 2.014 -10.693 11.672 75 1HB TYR 10 1HB TYR 10 0.575 -9.575 13.477 76 2HB TYR 10 2HB TYR 10 -0.770 -10.542 12.850 77 HD1 TYR 10 HD1 TYR 10 -0.821 -12.967 13.134 78 HD2 TYR 10 HD2 TYR 10 2.423 -10.611 14.677 79 HE1 TYR 10 HE1 TYR 10 -0.095 -14.882 14.533 80 HE2 TYR 10 HE2 TYR 10 3.149 -12.526 16.075 81 HH TYR 10 HH TYR 10 2.547 -14.621 16.887 82 H LYS 11 H LYS 11 -0.394 -10.139 9.352 83 HA LYS 11 HA LYS 11 -1.036 -12.991 9.190 84 1HB LYS 11 1HB LYS 11 -2.455 -10.493 8.518 85 2HB LYS 11 2HB LYS 11 -2.579 -11.742 7.295 86 1HG LYS 11 1HG LYS 11 -2.953 -12.587 10.160 87 2HG LYS 11 2HG LYS 11 -4.235 -11.639 9.434 88 1HD LYS 11 1HD LYS 11 -3.494 -13.603 7.488 89 2HD LYS 11 2HD LYS 11 -3.588 -14.445 9.022 90 1HE LYS 11 1HE LYS 11 -5.875 -13.627 9.401 91 2HE LYS 11 2HE LYS 11 -5.786 -12.592 7.990 92 1HZ LYS 11 1HZ LYS 11 -5.258 -14.835 6.831 93 2HZ LYS 11 2HZ LYS 11 -6.036 -15.478 8.115 94 3HZ LYS 11 3HZ LYS 11 -6.804 -14.411 7.146 95 H TYR 12 H TYR 12 -0.589 -10.351 6.817 96 HA TYR 12 HA TYR 12 0.303 -11.888 4.691 97 1HB TYR 12 1HB TYR 12 1.029 -9.073 5.548 98 2HB TYR 12 2HB TYR 12 1.509 -9.766 3.990 99 HD1 TYR 12 HD1 TYR 12 -0.276 -10.486 2.358 100 HD2 TYR 12 HD2 TYR 12 -1.154 -8.212 5.895 101 HE1 TYR 12 HE1 TYR 12 -2.462 -9.825 1.390 102 HE2 TYR 12 HE2 TYR 12 -3.340 -7.551 4.927 103 HH TYR 12 HH TYR 12 -4.541 -8.874 1.870 104 H THR 13 H THR 13 2.014 -11.103 7.692 105 HA THR 13 HA THR 13 4.608 -11.633 6.571 106 HB THR 13 HB THR 13 3.539 -11.297 9.423 107 HG1 THR 13 HG1 THR 13 5.013 -9.683 7.461 108 1HG2 THR 13 1HG2 THR 13 6.268 -11.878 8.321 109 2HG2 THR 13 2HG2 THR 13 6.169 -10.521 9.470 110 3HG2 THR 13 3HG2 THR 13 5.633 -12.146 9.962 111 H ASN 14 H ASN 14 2.309 -13.400 8.740 112 HA ASN 14 HA ASN 14 3.907 -15.606 9.058 113 1HB ASN 14 1HB ASN 14 0.935 -15.066 9.196 114 2HB ASN 14 2HB ASN 14 1.450 -16.741 9.220 115 1HD2 ASN 14 2HD2 ASN 14 1.233 -17.382 11.236 116 2HD2 ASN 14 1HD2 ASN 14 1.904 -16.627 12.643 117 H ILE 15 H ILE 15 1.163 -14.984 6.736 118 HA ILE 15 HA ILE 15 1.201 -17.347 5.374 119 HB ILE 15 HB ILE 15 0.423 -14.550 4.751 120 1HG1 ILE 15 1HG1 ILE 15 -1.286 -16.951 4.271 121 2HG1 ILE 15 2HG1 ILE 15 -0.879 -16.567 5.932 122 1HG2 ILE 15 1HG2 ILE 15 1.105 -16.580 2.694 123 2HG2 ILE 15 2HG2 ILE 15 -0.432 -15.707 2.484 124 3HG2 ILE 15 3HG2 ILE 15 1.096 -14.802 2.605 125 1HD1 ILE 15 1HD1 ILE 15 -2.069 -14.571 3.951 126 2HD1 ILE 15 2HD1 ILE 15 -3.001 -15.465 5.176 127 3HD1 ILE 15 3HD1 ILE 15 -1.766 -14.287 5.682 128 H ALA 16 H ALA 16 3.205 -14.392 4.765 129 HA ALA 16 HA ALA 16 4.543 -15.415 2.545 130 1HB ALA 16 1HB ALA 16 5.571 -13.445 4.625 131 2HB ALA 16 2HB ALA 16 4.443 -13.023 3.315 132 3HB ALA 16 3HB ALA 16 6.087 -13.584 2.927 133 H HIS 17 H HIS 17 5.424 -15.403 6.067 134 HA HIS 17 HA HIS 17 7.835 -16.723 5.755 135 1HB HIS 17 1HB HIS 17 7.003 -15.501 7.780 136 2HB HIS 17 2HB HIS 17 5.955 -16.862 8.127 137 HD1 HIS 17 HD1 HIS 17 9.705 -16.249 7.572 138 HD2 HIS 17 HD2 HIS 17 7.115 -18.724 9.753 139 HE1 HIS 17 HE1 HIS 17 11.185 -17.684 9.075 140 H SER 18 H SER 18 4.491 -17.880 5.692 141 HA SER 18 HA SER 18 5.130 -20.566 6.201 142 1HB SER 18 1HB SER 18 2.855 -19.581 6.498 143 2HB SER 18 2HB SER 18 2.724 -19.355 4.766 144 HG SER 18 HG SER 18 1.990 -21.353 4.663 145 H ALA 19 H ALA 19 5.353 -18.448 3.412 146 HA ALA 19 HA ALA 19 5.401 -20.652 1.532 147 1HB ALA 19 1HB ALA 19 4.344 -18.359 1.119 148 2HB ALA 19 2HB ALA 19 5.459 -18.946 -0.138 149 3HB ALA 19 3HB ALA 19 6.002 -17.718 1.031 150 H ASN 20 H ASN 20 7.600 -18.353 3.193 151 HA ASN 20 HA ASN 20 9.774 -20.061 2.321 152 1HB ASN 20 1HB ASN 20 11.060 -17.651 2.322 153 2HB ASN 20 2HB ASN 20 10.365 -18.349 0.873 154 1HD2 ASN 20 2HD2 ASN 20 8.999 -16.763 3.757 155 2HD2 ASN 20 1HD2 ASN 20 8.095 -15.540 2.928 156 HA PRO 21 HA PRO 21 10.554 -19.449 6.694 157 1HB PRO 21 1HB PRO 21 12.449 -21.319 7.028 158 2HB PRO 21 2HB PRO 21 10.802 -21.801 6.504 159 1HG PRO 21 1HG PRO 21 13.247 -21.290 4.651 160 2HG PRO 21 2HG PRO 21 12.157 -22.714 4.711 161 1HD PRO 21 1HD PRO 21 11.823 -20.556 2.976 162 2HD PRO 21 2HD PRO 21 10.461 -21.547 3.580 163 H MET 22 H MET 22 11.641 -17.439 4.848 164 HA MET 22 HA MET 22 14.130 -17.012 6.264 165 1HB MET 22 1HB MET 22 15.189 -16.247 4.082 166 2HB MET 22 2HB MET 22 14.828 -17.961 4.101 167 1HG MET 22 1HG MET 22 13.035 -17.751 2.596 168 2HG MET 22 2HG MET 22 12.704 -16.091 3.049 169 1HE MET 22 1HE MET 22 12.478 -15.325 0.624 170 2HE MET 22 2HE MET 22 13.358 -14.147 1.627 171 3HE MET 22 3HE MET 22 13.909 -14.493 -0.030 172 H TYR 23 H TYR 23 11.466 -15.967 6.572 173 HA TYR 23 HA TYR 23 12.087 -13.112 6.348 174 1HB TYR 23 1HB TYR 23 11.011 -13.645 4.191 175 2HB TYR 23 2HB TYR 23 9.624 -14.331 5.054 176 HD1 TYR 23 HD1 TYR 23 7.784 -12.984 5.498 177 HD2 TYR 23 HD2 TYR 23 11.604 -11.150 4.796 178 HE1 TYR 23 HE1 TYR 23 6.722 -10.744 5.574 179 HE2 TYR 23 HE2 TYR 23 10.543 -8.910 4.872 180 HH TYR 23 HH TYR 23 8.077 -7.961 4.450 181 H GLU 24 H GLU 24 11.791 -12.493 8.476 182 HA GLU 24 HA GLU 24 9.713 -13.866 9.936 183 1HB GLU 24 1HB GLU 24 12.052 -12.105 10.711 184 2HB GLU 24 2HB GLU 24 10.758 -12.392 11.856 185 1HG GLU 24 1HG GLU 24 11.788 -14.836 10.481 186 2HG GLU 24 2HG GLU 24 12.938 -14.043 11.540 187 H ALA 25 H ALA 25 10.752 -10.517 9.030 188 HA ALA 25 HA ALA 25 8.050 -9.680 8.804 189 1HB ALA 25 1HB ALA 25 9.541 -8.208 10.966 190 2HB ALA 25 2HB ALA 25 8.689 -9.716 11.373 191 3HB ALA 25 3HB ALA 25 7.788 -8.343 10.687 192 HA PRO 26 HA PRO 26 9.856 -6.509 6.378 193 1HB PRO 26 1HB PRO 26 8.384 -4.331 7.774 194 2HB PRO 26 2HB PRO 26 8.170 -5.006 6.126 195 1HG PRO 26 1HG PRO 26 6.157 -5.633 8.083 196 2HG PRO 26 2HG PRO 26 6.767 -6.656 6.742 197 1HD PRO 26 1HD PRO 26 7.762 -6.484 9.651 198 2HD PRO 26 2HD PRO 26 7.161 -7.929 8.783 199 H SER 27 H SER 27 10.748 -3.956 6.668 200 HA SER 27 HA SER 27 12.068 -3.752 9.211 201 1HB SER 27 1HB SER 27 13.402 -4.833 6.887 202 2HB SER 27 2HB SER 27 14.110 -3.272 7.249 203 HG SER 27 HG SER 27 14.060 -4.220 9.606 204 H ILE 28 H ILE 28 10.032 -2.348 7.366 205 HA ILE 28 HA ILE 28 9.621 -0.337 6.485 206 HB ILE 28 HB ILE 28 10.132 1.519 8.072 207 1HG1 ILE 28 1HG1 ILE 28 11.504 -0.665 9.668 208 2HG1 ILE 28 2HG1 ILE 28 12.305 0.681 8.882 209 1HG2 ILE 28 1HG2 ILE 28 8.860 -1.033 9.076 210 2HG2 ILE 28 2HG2 ILE 28 8.780 0.513 9.954 211 3HG2 ILE 28 3HG2 ILE 28 8.071 0.376 8.327 212 1HD1 ILE 28 1HD1 ILE 28 10.669 2.193 10.269 213 2HD1 ILE 28 2HD1 ILE 28 10.421 0.733 11.256 214 3HD1 ILE 28 3HD1 ILE 28 12.048 1.439 11.105 215 H THR 29 H THR 29 11.636 -1.418 5.016 216 HA THR 29 HA THR 29 13.100 0.956 4.257 217 HB THR 29 HB THR 29 14.532 -1.617 5.110 218 HG1 THR 29 HG1 THR 29 15.365 0.147 6.670 219 1HG2 THR 29 1HG2 THR 29 15.372 0.397 3.306 220 2HG2 THR 29 2HG2 THR 29 16.087 0.868 4.867 221 3HG2 THR 29 3HG2 THR 29 16.430 -0.738 4.179 222 H ASP 30 H ASP 30 10.902 -0.516 3.110 223 HA ASP 30 HA ASP 30 12.266 -1.262 0.669 224 1HB ASP 30 1HB ASP 30 11.613 -3.334 2.041 225 2HB ASP 30 2HB ASP 30 9.939 -2.863 1.823 226 H GLY 31 H GLY 31 9.143 -0.685 2.432 227 1HA GLY 31 1HA GLY 31 7.353 0.578 1.912 228 2HA GLY 31 2HA GLY 31 7.416 -0.233 0.360 229 H LYS 32 H LYS 32 10.189 1.716 1.378 230 HA LYS 32 HA LYS 32 9.253 4.120 0.160 231 1HB LYS 32 1HB LYS 32 11.472 4.972 0.685 232 2HB LYS 32 2HB LYS 32 10.780 4.150 2.069 233 1HG LYS 32 1HG LYS 32 12.827 3.100 2.119 234 2HG LYS 32 2HG LYS 32 12.076 2.040 0.943 235 1HD LYS 32 1HD LYS 32 13.132 3.129 -0.902 236 2HD LYS 32 2HD LYS 32 13.502 4.563 0.035 237 1HE LYS 32 1HE LYS 32 14.809 2.545 1.467 238 2HE LYS 32 2HE LYS 32 15.015 2.029 -0.196 239 1HZ LYS 32 1HZ LYS 32 15.547 4.793 0.602 240 2HZ LYS 32 2HZ LYS 32 16.689 3.634 0.745 241 3HZ LYS 32 3HZ LYS 32 16.078 4.001 -0.724 242 H ILE 33 H ILE 33 11.404 1.380 -0.751 243 HA ILE 33 HA ILE 33 11.878 2.609 -3.332 244 HB ILE 33 HB ILE 33 13.224 0.759 -1.633 245 1HG1 ILE 33 1HG1 ILE 33 14.391 2.586 -2.561 246 2HG1 ILE 33 2HG1 ILE 33 15.060 1.158 -3.326 247 1HG2 ILE 33 1HG2 ILE 33 12.010 -0.942 -3.040 248 2HG2 ILE 33 2HG2 ILE 33 12.906 -0.312 -4.443 249 3HG2 ILE 33 3HG2 ILE 33 13.787 -1.040 -3.078 250 1HD1 ILE 33 1HD1 ILE 33 12.867 1.904 -4.965 251 2HD1 ILE 33 2HD1 ILE 33 13.698 3.423 -4.551 252 3HD1 ILE 33 3HD1 ILE 33 14.598 2.101 -5.332 253 H PHE 34 H PHE 34 9.230 1.298 -2.050 254 HA PHE 34 HA PHE 34 8.598 -0.147 -4.525 255 1HB PHE 34 1HB PHE 34 8.834 -1.669 -2.544 256 2HB PHE 34 2HB PHE 34 7.781 -0.635 -1.599 257 HD1 PHE 34 HD1 PHE 34 5.532 -1.162 -1.449 258 HD2 PHE 34 HD2 PHE 34 7.763 -2.653 -4.737 259 HE1 PHE 34 HE1 PHE 34 3.547 -2.510 -2.186 260 HE2 PHE 34 HE2 PHE 34 5.778 -4.000 -5.473 261 HZ PHE 34 HZ PHE 34 3.694 -3.913 -4.189 262 H PHE 35 H PHE 35 8.269 2.731 -3.872 263 HA PHE 35 HA PHE 35 5.402 2.824 -4.309 264 1HB PHE 35 1HB PHE 35 5.949 3.109 -1.809 265 2HB PHE 35 2HB PHE 35 6.948 4.486 -2.230 266 HD1 PHE 35 HD1 PHE 35 3.482 3.337 -3.057 267 HD2 PHE 35 HD2 PHE 35 5.980 6.511 -1.755 268 HE1 PHE 35 HE1 PHE 35 1.480 4.842 -2.884 269 HE2 PHE 35 HE2 PHE 35 3.978 8.015 -1.581 270 HZ PHE 35 HZ PHE 35 1.752 7.163 -2.148 271 H ASN 36 H ASN 36 8.587 4.500 -4.122 272 HA ASN 36 HA ASN 36 7.556 6.478 -5.970 273 1HB ASN 36 1HB ASN 36 10.184 6.314 -4.404 274 2HB ASN 36 2HB ASN 36 9.788 7.623 -5.499 275 1HD2 ASN 36 2HD2 ASN 36 8.863 5.947 -2.551 276 2HD2 ASN 36 1HD2 ASN 36 7.982 7.239 -1.807 277 H ARG 37 H ARG 37 9.048 3.450 -5.958 278 HA ARG 37 HA ARG 37 11.116 3.847 -7.782 279 1HB ARG 37 1HB ARG 37 10.614 1.809 -6.222 280 2HB ARG 37 2HB ARG 37 9.522 1.265 -7.480 281 1HG ARG 37 1HG ARG 37 11.287 1.003 -9.073 282 2HG ARG 37 2HG ARG 37 12.391 2.005 -8.151 283 1HD ARG 37 1HD ARG 37 12.668 0.303 -6.446 284 2HD ARG 37 2HD ARG 37 11.314 -0.629 -7.054 285 HE ARG 37 HE ARG 37 12.740 -1.597 -8.626 286 1HH1 ARG 37 1HH1 ARG 37 14.686 -1.896 -9.786 287 2HH1 ARG 37 2HH1 ARG 37 15.938 -0.702 -9.699 288 1HH2 ARG 37 1HH2 ARG 37 14.163 1.428 -7.526 289 2HH2 ARG 37 2HH2 ARG 37 15.638 1.202 -8.405 290 H LYS 38 H LYS 38 10.520 4.944 -9.687 291 HA LYS 38 HA LYS 38 8.116 4.645 -11.016 292 1HB LYS 38 1HB LYS 38 9.575 6.528 -11.398 293 2HB LYS 38 2HB LYS 38 10.851 5.493 -12.004 294 1HG LYS 38 1HG LYS 38 9.967 5.973 -14.060 295 2HG LYS 38 2HG LYS 38 8.792 4.736 -13.660 296 1HD LYS 38 1HD LYS 38 7.489 6.624 -14.325 297 2HD LYS 38 2HD LYS 38 7.377 6.596 -12.576 298 1HE LYS 38 1HE LYS 38 7.863 8.890 -13.615 299 2HE LYS 38 2HE LYS 38 8.948 8.399 -12.329 300 1HZ LYS 38 1HZ LYS 38 9.690 7.650 -15.020 301 2HZ LYS 38 2HZ LYS 38 9.813 9.232 -14.636 302 3HZ LYS 38 3HZ LYS 38 10.634 8.117 -13.772 303 H PHE 39 H PHE 39 7.320 2.625 -11.461 304 HA PHE 39 HA PHE 39 9.139 0.796 -12.847 305 1HB PHE 39 1HB PHE 39 7.359 -0.882 -12.128 306 2HB PHE 39 2HB PHE 39 8.084 -0.049 -10.767 307 HD1 PHE 39 HD1 PHE 39 5.102 -0.085 -12.968 308 HD2 PHE 39 HD2 PHE 39 6.761 1.217 -9.285 309 HE1 PHE 39 HE1 PHE 39 2.825 0.636 -12.196 310 HE2 PHE 39 HE2 PHE 39 4.484 1.937 -8.514 311 HZ PHE 39 HZ PHE 39 2.543 1.638 -9.979 312 H LYS 40 H LYS 40 8.111 -0.590 -14.587 313 HA LYS 40 HA LYS 40 6.310 1.103 -16.159 314 1HB LYS 40 1HB LYS 40 8.710 0.275 -16.910 315 2HB LYS 40 2HB LYS 40 7.846 -1.193 -17.322 316 1HG LYS 40 1HG LYS 40 6.138 0.417 -18.519 317 2HG LYS 40 2HG LYS 40 7.419 1.608 -18.414 318 1HD LYS 40 1HD LYS 40 8.046 -1.142 -19.519 319 2HD LYS 40 2HD LYS 40 7.233 0.025 -20.542 320 1HE LYS 40 1HE LYS 40 9.289 1.550 -19.429 321 2HE LYS 40 2HE LYS 40 10.047 -0.020 -19.607 322 1HZ LYS 40 1HZ LYS 40 9.242 -0.011 -21.917 323 2HZ LYS 40 2HZ LYS 40 8.714 1.521 -21.720 324 3HZ LYS 40 3HZ LYS 40 10.308 1.186 -21.604 325 H THR 41 H THR 41 4.536 0.080 -17.333 326 HA THR 41 HA THR 41 3.577 -2.306 -15.898 327 HB THR 41 HB THR 41 1.336 -1.412 -16.343 328 HG1 THR 41 HG1 THR 41 1.449 0.762 -17.565 329 1HG2 THR 41 1HG2 THR 41 3.068 -0.105 -14.660 330 2HG2 THR 41 2HG2 THR 41 2.702 1.203 -15.811 331 3HG2 THR 41 3HG2 THR 41 1.384 0.414 -14.911 332 HA PRO 42 HA PRO 42 3.694 -4.794 -19.438 333 1HB PRO 42 1HB PRO 42 1.382 -6.269 -19.101 334 2HB PRO 42 2HB PRO 42 2.840 -6.464 -18.075 335 1HG PRO 42 1HG PRO 42 0.225 -4.812 -17.019 336 2HG PRO 42 2HG PRO 42 1.395 -6.141 -16.732 337 1HD PRO 42 1HD PRO 42 1.734 -3.335 -16.157 338 2HD PRO 42 2HD PRO 42 3.003 -4.596 -16.106 339 H SER 43 H SER 43 1.326 -2.322 -18.935 340 HA SER 43 HA SER 43 0.160 -2.886 -21.537 341 1HB SER 43 1HB SER 43 -1.770 -1.870 -20.816 342 2HB SER 43 2HB SER 43 -1.135 -2.302 -19.240 343 HG SER 43 HG SER 43 -1.855 0.040 -19.710 344 H GLY 44 H GLY 44 2.904 -1.890 -21.244 345 1HA GLY 44 1HA GLY 44 3.179 -0.063 -23.173 346 2HA GLY 44 2HA GLY 44 4.252 -0.145 -21.789 347 H LYS 45 H LYS 45 3.645 1.131 -19.798 348 HA LYS 45 HA LYS 45 3.131 3.767 -20.443 349 1HB LYS 45 1HB LYS 45 0.861 3.267 -20.930 350 2HB LYS 45 2HB LYS 45 0.686 2.254 -19.512 351 1HG LYS 45 1HG LYS 45 0.063 4.045 -18.273 352 2HG LYS 45 2HG LYS 45 1.585 4.843 -18.618 353 1HD LYS 45 1HD LYS 45 0.699 5.851 -20.646 354 2HD LYS 45 2HD LYS 45 -0.746 4.862 -20.583 355 1HE LYS 45 1HE LYS 45 -1.405 7.010 -19.740 356 2HE LYS 45 2HE LYS 45 -1.288 5.973 -18.332 357 1HZ LYS 45 1HZ LYS 45 0.982 6.836 -18.036 358 2HZ LYS 45 2HZ LYS 45 0.730 7.896 -19.252 359 3HZ LYS 45 3HZ LYS 45 -0.167 7.988 -17.891 360 H GLU 46 H GLU 46 5.002 3.934 -19.135 361 HA GLU 46 HA GLU 46 5.432 2.802 -16.746 362 1HB GLU 46 1HB GLU 46 6.980 4.628 -16.288 363 2HB GLU 46 2HB GLU 46 7.029 4.261 -18.001 364 1HG GLU 46 1HG GLU 46 6.345 6.356 -18.547 365 2HG GLU 46 2HG GLU 46 4.952 6.240 -17.491 366 H ALA 47 H ALA 47 5.216 3.553 -14.482 367 HA ALA 47 HA ALA 47 3.390 5.675 -13.917 368 1HB ALA 47 1HB ALA 47 2.525 2.786 -13.491 369 2HB ALA 47 2HB ALA 47 1.692 4.212 -12.825 370 3HB ALA 47 3HB ALA 47 1.770 3.969 -14.587 371 H ALA 48 H ALA 48 2.694 4.987 -11.302 372 HA ALA 48 HA ALA 48 4.778 3.781 -9.864 373 1HB ALA 48 1HB ALA 48 5.390 6.188 -8.822 374 2HB ALA 48 2HB ALA 48 5.033 6.695 -10.490 375 3HB ALA 48 3HB ALA 48 6.294 5.478 -10.181 376 H CYS 49 H CYS 49 4.397 3.978 -7.499 377 HA CYS 49 HA CYS 49 1.613 4.078 -6.998 378 1HB CYS 49 1HB CYS 49 3.884 3.877 -5.010 379 2HB CYS 49 2HB CYS 49 2.199 3.495 -4.717 380 H ALA 50 H ALA 50 4.063 6.435 -7.296 381 HA ALA 50 HA ALA 50 2.766 8.232 -5.380 382 1HB ALA 50 1HB ALA 50 5.122 8.108 -5.030 383 2HB ALA 50 2HB ALA 50 4.845 9.637 -5.897 384 3HB ALA 50 3HB ALA 50 5.464 8.217 -6.773 385 H SER 51 H SER 51 2.351 7.231 -8.494 386 HA SER 51 HA SER 51 2.236 9.797 -9.729 387 1HB SER 51 1HB SER 51 2.191 7.030 -10.561 388 2HB SER 51 2HB SER 51 0.788 7.830 -11.241 389 HG SER 51 HG SER 51 3.111 7.896 -12.325 390 H CYS 52 H CYS 52 0.231 7.914 -7.653 391 HA CYS 52 HA CYS 52 -2.058 9.576 -8.407 392 1HB CYS 52 1HB CYS 52 -1.990 6.612 -7.875 393 2HB CYS 52 2HB CYS 52 -3.434 7.535 -7.511 394 H HIS 53 H HIS 53 -0.447 7.531 -5.984 395 HA HIS 53 HA HIS 53 -1.779 8.953 -3.750 396 1HB HIS 53 1HB HIS 53 0.215 6.621 -3.745 397 2HB HIS 53 2HB HIS 53 -0.766 7.227 -2.343 398 HD1 HIS 53 HD1 HIS 53 -3.477 7.136 -3.002 399 HD2 HIS 53 HD2 HIS 53 -0.894 4.390 -4.806 400 HE1 HIS 53 HE1 HIS 53 -4.950 5.172 -3.786 401 H THR 54 H THR 54 0.377 10.111 -5.711 402 HA THR 54 HA THR 54 2.217 11.375 -5.605 403 HB THR 54 HB THR 54 2.151 13.011 -3.697 404 HG1 THR 54 HG1 THR 54 1.513 11.809 -1.911 405 1HG2 THR 54 1HG2 THR 54 -0.332 12.203 -5.185 406 2HG2 THR 54 2HG2 THR 54 -0.571 13.238 -3.758 407 3HG2 THR 54 3HG2 THR 54 0.463 13.793 -5.096 408 H ASN 55 H ASN 55 4.258 12.006 -4.241 409 HA ASN 55 HA ASN 55 5.652 9.694 -3.869 410 1HB ASN 55 1HB ASN 55 7.366 11.167 -2.741 411 2HB ASN 55 2HB ASN 55 6.765 11.859 -4.234 412 1HD2 ASN 55 2HD2 ASN 55 5.744 13.761 -4.238 413 2HD2 ASN 55 1HD2 ASN 55 5.391 14.722 -2.841 414 H ASN 56 H ASN 56 3.469 11.460 -1.740 415 HA ASN 56 HA ASN 56 4.164 9.601 0.389 416 1HB ASN 56 1HB ASN 56 4.715 12.270 0.587 417 2HB ASN 56 2HB ASN 56 3.047 12.302 1.124 418 1HD2 ASN 56 2HD2 ASN 56 3.381 12.737 3.226 419 2HD2 ASN 56 1HD2 ASN 56 4.167 11.684 4.353 420 HA PRO 57 HA PRO 57 -0.206 8.776 -0.103 421 1HB PRO 57 1HB PRO 57 -0.462 6.963 1.911 422 2HB PRO 57 2HB PRO 57 0.492 6.603 0.435 423 1HG PRO 57 1HG PRO 57 1.680 7.517 3.105 424 2HG PRO 57 2HG PRO 57 2.046 6.156 1.995 425 1HD PRO 57 1HD PRO 57 3.349 8.611 1.918 426 2HD PRO 57 2HD PRO 57 3.097 7.601 0.462 427 H ALA 58 H ALA 58 1.258 9.530 3.152 428 HA ALA 58 HA ALA 58 -1.117 10.149 4.430 429 1HB ALA 58 1HB ALA 58 1.232 11.819 5.113 430 2HB ALA 58 2HB ALA 58 1.554 10.069 5.066 431 3HB ALA 58 3HB ALA 58 0.280 10.711 6.130 432 H ASN 59 H ASN 59 0.478 11.719 1.783 433 HA ASN 59 HA ASN 59 -0.660 14.277 2.405 434 1HB ASN 59 1HB ASN 59 1.611 13.668 1.113 435 2HB ASN 59 2HB ASN 59 0.557 13.566 -0.283 436 1HD2 ASN 59 2HD2 ASN 59 2.637 15.422 0.056 437 2HD2 ASN 59 1HD2 ASN 59 1.979 17.024 0.105 438 H VAL 60 H VAL 60 -1.818 15.360 0.305 439 HA VAL 60 HA VAL 60 -4.096 13.719 -0.225 440 HB VAL 60 HB VAL 60 -3.269 16.488 -1.112 441 1HG1 VAL 60 1HG1 VAL 60 -5.534 14.776 -1.930 442 2HG1 VAL 60 2HG1 VAL 60 -5.986 16.415 -1.402 443 3HG1 VAL 60 3HG1 VAL 60 -4.818 16.198 -2.727 444 1HG2 VAL 60 1HG2 VAL 60 -3.826 15.877 1.376 445 2HG2 VAL 60 2HG2 VAL 60 -4.529 17.337 0.640 446 3HG2 VAL 60 3HG2 VAL 60 -5.508 15.859 0.795 447 H GLY 61 H GLY 61 -4.334 12.304 -1.873 448 1HA GLY 61 1HA GLY 61 -3.531 11.042 -3.622 449 2HA GLY 61 2HA GLY 61 -2.304 12.248 -3.959 450 H LYS 62 H LYS 62 -3.553 11.300 -6.154 451 HA LYS 62 HA LYS 62 -5.944 12.693 -6.779 452 1HB LYS 62 1HB LYS 62 -4.579 14.652 -6.877 453 2HB LYS 62 2HB LYS 62 -3.323 13.828 -7.778 454 1HG LYS 62 1HG LYS 62 -4.944 13.487 -9.678 455 2HG LYS 62 2HG LYS 62 -6.158 14.375 -8.779 456 1HD LYS 62 1HD LYS 62 -3.464 15.469 -9.717 457 2HD LYS 62 2HD LYS 62 -5.027 15.856 -10.407 458 1HE LYS 62 1HE LYS 62 -5.362 16.400 -7.663 459 2HE LYS 62 2HE LYS 62 -3.731 16.948 -7.996 460 1HZ LYS 62 1HZ LYS 62 -5.740 17.670 -9.935 461 2HZ LYS 62 2HZ LYS 62 -5.844 18.408 -8.482 462 3HZ LYS 62 3HZ LYS 62 -4.479 18.539 -9.368 463 H ASN 63 H ASN 63 -6.953 11.683 -8.485 464 HA ASN 63 HA ASN 63 -5.567 9.396 -9.497 465 1HB ASN 63 1HB ASN 63 -8.410 10.471 -9.729 466 2HB ASN 63 2HB ASN 63 -7.887 9.131 -10.730 467 1HD2 ASN 63 2HD2 ASN 63 -9.934 8.842 -8.962 468 2HD2 ASN 63 1HD2 ASN 63 -9.489 7.799 -7.653 469 H ILE 64 H ILE 64 -4.693 9.259 -11.596 470 HA ILE 64 HA ILE 64 -4.757 11.672 -13.181 471 HB ILE 64 HB ILE 64 -2.961 10.771 -14.359 472 1HG1 ILE 64 1HG1 ILE 64 -3.576 8.026 -13.229 473 2HG1 ILE 64 2HG1 ILE 64 -4.042 8.567 -14.829 474 1HG2 ILE 64 1HG2 ILE 64 -2.950 10.775 -11.519 475 2HG2 ILE 64 2HG2 ILE 64 -1.951 9.405 -12.060 476 3HG2 ILE 64 3HG2 ILE 64 -1.594 11.050 -12.638 477 1HD1 ILE 64 1HD1 ILE 64 -1.161 8.948 -14.089 478 2HD1 ILE 64 2HD1 ILE 64 -1.711 7.276 -14.352 479 3HD1 ILE 64 3HD1 ILE 64 -1.882 8.483 -15.649 480 H VAL 65 H VAL 65 -6.991 9.374 -12.714 481 HA VAL 65 HA VAL 65 -7.491 8.729 -15.492 482 HB VAL 65 HB VAL 65 -8.844 8.033 -12.884 483 1HG1 VAL 65 1HG1 VAL 65 -10.065 8.120 -15.415 484 2HG1 VAL 65 2HG1 VAL 65 -9.679 6.405 -15.133 485 3HG1 VAL 65 3HG1 VAL 65 -10.664 7.301 -13.952 486 1HG2 VAL 65 1HG2 VAL 65 -7.181 6.427 -14.851 487 2HG2 VAL 65 2HG2 VAL 65 -6.738 6.891 -13.191 488 3HG2 VAL 65 3HG2 VAL 65 -8.061 5.734 -13.468 489 H THR 66 H THR 66 -9.140 10.476 -12.767 490 HA THR 66 HA THR 66 -10.693 11.908 -14.819 491 HB THR 66 HB THR 66 -12.345 12.216 -12.964 492 HG1 THR 66 HG1 THR 66 -11.745 11.270 -10.920 493 1HG2 THR 66 1HG2 THR 66 -11.358 9.442 -13.659 494 2HG2 THR 66 2HG2 THR 66 -12.536 9.608 -12.336 495 3HG2 THR 66 3HG2 THR 66 -12.948 10.178 -13.971 496 H GLY 67 H GLY 67 -8.500 12.195 -12.031 497 1HA GLY 67 1HA GLY 67 -7.853 14.887 -12.840 498 2HA GLY 67 2HA GLY 67 -7.118 13.943 -11.560 499 H LYS 68 H LYS 68 -9.645 13.233 -10.194 500 HA LYS 68 HA LYS 68 -10.877 15.743 -9.519 501 1HB LYS 68 1HB LYS 68 -11.305 12.860 -8.790 502 2HB LYS 68 2HB LYS 68 -12.014 14.116 -7.795 503 1HG LYS 68 1HG LYS 68 -12.343 14.245 -10.805 504 2HG LYS 68 2HG LYS 68 -13.351 13.152 -9.877 505 1HD LYS 68 1HD LYS 68 -13.499 15.519 -8.395 506 2HD LYS 68 2HD LYS 68 -13.440 16.107 -10.045 507 1HE LYS 68 1HE LYS 68 -15.692 15.703 -10.060 508 2HE LYS 68 2HE LYS 68 -15.238 14.029 -10.311 509 1HZ LYS 68 1HZ LYS 68 -15.236 13.767 -7.897 510 2HZ LYS 68 2HZ LYS 68 -15.760 15.302 -7.716 511 3HZ LYS 68 3HZ LYS 68 -16.704 14.200 -8.466 512 H GLU 69 H GLU 69 -10.072 13.371 -7.004 513 HA GLU 69 HA GLU 69 -7.760 14.518 -6.075 514 1HB GLU 69 1HB GLU 69 -8.398 16.044 -4.371 515 2HB GLU 69 2HB GLU 69 -9.368 16.507 -5.754 516 1HG GLU 69 1HG GLU 69 -11.265 15.100 -4.841 517 2HG GLU 69 2HG GLU 69 -10.293 14.761 -3.423 518 H ILE 70 H ILE 70 -6.900 12.936 -4.792 519 HA ILE 70 HA ILE 70 -8.824 11.210 -3.393 520 HB ILE 70 HB ILE 70 -6.106 10.464 -4.476 521 1HG1 ILE 70 1HG1 ILE 70 -8.129 11.042 -6.100 522 2HG1 ILE 70 2HG1 ILE 70 -7.027 9.716 -6.413 523 1HG2 ILE 70 1HG2 ILE 70 -8.181 9.050 -2.870 524 2HG2 ILE 70 2HG2 ILE 70 -7.331 8.127 -4.133 525 3HG2 ILE 70 3HG2 ILE 70 -6.406 8.918 -2.834 526 1HD1 ILE 70 1HD1 ILE 70 -9.372 9.075 -4.665 527 2HD1 ILE 70 2HD1 ILE 70 -9.725 9.412 -6.377 528 3HD1 ILE 70 3HD1 ILE 70 -8.604 8.100 -5.941 529 HA PRO 71 HA PRO 71 -6.978 13.625 -0.028 530 1HB PRO 71 1HB PRO 71 -8.901 11.734 1.353 531 2HB PRO 71 2HB PRO 71 -8.650 13.498 1.555 532 1HG PRO 71 1HG PRO 71 -10.587 12.533 0.278 533 2HG PRO 71 2HG PRO 71 -10.084 14.127 -0.373 534 1HD PRO 71 1HD PRO 71 -9.816 11.412 -1.550 535 2HD PRO 71 2HD PRO 71 -9.554 13.003 -2.327 536 HA PRO 72 HA PRO 72 -3.777 11.217 1.737 537 1HB PRO 72 1HB PRO 72 -5.388 11.101 4.310 538 2HB PRO 72 2HB PRO 72 -3.663 11.505 4.031 539 1HG PRO 72 1HG PRO 72 -5.663 13.559 4.353 540 2HG PRO 72 2HG PRO 72 -4.071 13.461 3.533 541 1HD PRO 72 1HD PRO 72 -6.853 13.559 2.392 542 2HD PRO 72 2HD PRO 72 -5.297 14.000 1.625 543 H LEU 73 H LEU 73 -3.362 8.995 1.568 544 HA LEU 73 HA LEU 73 -5.736 7.293 1.648 545 1HB LEU 73 1HB LEU 73 -4.497 7.292 -0.422 546 2HB LEU 73 2HB LEU 73 -3.004 6.921 0.418 547 HG LEU 73 HG LEU 73 -4.405 4.787 1.207 548 1HD1 LEU 73 1HD1 LEU 73 -5.799 5.760 -1.275 549 2HD1 LEU 73 2HD1 LEU 73 -5.686 4.021 -0.910 550 3HD1 LEU 73 3HD1 LEU 73 -6.487 5.121 0.237 551 1HD2 LEU 73 1HD2 LEU 73 -2.908 5.198 -1.384 552 2HD2 LEU 73 2HD2 LEU 73 -2.313 4.525 0.153 553 3HD2 LEU 73 3HD2 LEU 73 -3.467 3.599 -0.836 554 H ALA 74 H ALA 74 -2.713 8.053 3.290 555 HA ALA 74 HA ALA 74 -1.943 5.855 4.554 556 1HB ALA 74 1HB ALA 74 -2.260 8.712 5.357 557 2HB ALA 74 2HB ALA 74 -0.800 7.696 5.295 558 3HB ALA 74 3HB ALA 74 -1.928 7.550 6.663 559 HA PRO 75 HA PRO 75 -5.702 4.329 6.387 560 1HB PRO 75 1HB PRO 75 -4.753 1.814 6.885 561 2HB PRO 75 2HB PRO 75 -5.135 2.381 5.227 562 1HG PRO 75 1HG PRO 75 -2.389 2.130 6.496 563 2HG PRO 75 2HG PRO 75 -3.093 1.783 4.883 564 1HD PRO 75 1HD PRO 75 -1.699 4.154 5.693 565 2HD PRO 75 2HD PRO 75 -2.687 3.965 4.212 566 H ARG 76 H ARG 76 -4.100 6.133 7.964 567 HA ARG 76 HA ARG 76 -4.443 4.818 10.474 568 1HB ARG 76 1HB ARG 76 -1.942 4.555 9.511 569 2HB ARG 76 2HB ARG 76 -1.770 6.190 10.118 570 1HG ARG 76 1HG ARG 76 -2.902 5.155 12.313 571 2HG ARG 76 2HG ARG 76 -2.310 3.643 11.653 572 1HD ARG 76 1HD ARG 76 -0.004 4.504 11.596 573 2HD ARG 76 2HD ARG 76 -0.544 6.103 12.068 574 HE ARG 76 HE ARG 76 -1.419 4.160 14.014 575 1HH1 ARG 76 1HH1 ARG 76 -0.374 4.041 16.042 576 2HH1 ARG 76 2HH1 ARG 76 1.201 4.733 16.246 577 1HH2 ARG 76 1HH2 ARG 76 1.456 5.870 12.922 578 2HH2 ARG 76 2HH2 ARG 76 2.249 5.781 14.459 579 H VAL 77 H VAL 77 -2.905 7.717 8.884 580 HA VAL 77 HA VAL 77 -3.269 9.563 10.826 581 HB VAL 77 HB VAL 77 -3.417 9.707 7.826 582 1HG1 VAL 77 1HG1 VAL 77 -4.827 11.532 8.827 583 2HG1 VAL 77 2HG1 VAL 77 -3.370 12.121 9.663 584 3HG1 VAL 77 3HG1 VAL 77 -3.432 12.107 7.884 585 1HG2 VAL 77 1HG2 VAL 77 -1.335 9.794 9.860 586 2HG2 VAL 77 2HG2 VAL 77 -1.201 9.592 8.097 587 3HG2 VAL 77 3HG2 VAL 77 -1.284 11.224 8.803 588 H ASN 78 H ASN 78 -5.713 8.289 8.511 589 HA ASN 78 HA ASN 78 -7.683 9.941 9.856 590 1HB ASN 78 1HB ASN 78 -8.200 8.181 7.423 591 2HB ASN 78 2HB ASN 78 -9.091 9.601 7.931 592 1HD2 ASN 78 2HD2 ASN 78 -8.475 9.686 5.444 593 2HD2 ASN 78 1HD2 ASN 78 -7.126 10.706 5.069 594 H THR 79 H THR 79 -9.510 8.927 10.907 595 HA THR 79 HA THR 79 -9.068 6.154 11.628 596 HB THR 79 HB THR 79 -11.036 6.747 13.192 597 HG1 THR 79 HG1 THR 79 -11.766 8.887 12.976 598 1HG2 THR 79 1HG2 THR 79 -8.520 7.137 13.772 599 2HG2 THR 79 2HG2 THR 79 -8.818 8.836 13.330 600 3HG2 THR 79 3HG2 THR 79 -9.714 8.097 14.679 601 H LYS 80 H LYS 80 -10.425 7.627 8.995 602 HA LYS 80 HA LYS 80 -12.615 5.681 8.870 603 1HB LYS 80 1HB LYS 80 -12.268 8.453 7.934 604 2HB LYS 80 2HB LYS 80 -12.951 7.379 6.730 605 1HG LYS 80 1HG LYS 80 -14.930 7.198 7.850 606 2HG LYS 80 2HG LYS 80 -14.135 6.919 9.387 607 1HD LYS 80 1HD LYS 80 -13.840 9.703 8.404 608 2HD LYS 80 2HD LYS 80 -15.508 9.238 8.675 609 1HE LYS 80 1HE LYS 80 -14.771 8.365 10.984 610 2HE LYS 80 2HE LYS 80 -13.222 9.132 10.693 611 1HZ LYS 80 1HZ LYS 80 -15.005 11.060 10.099 612 2HZ LYS 80 2HZ LYS 80 -15.705 10.320 11.375 613 3HZ LYS 80 3HZ LYS 80 -14.195 10.925 11.510 614 H ARG 81 H ARG 81 -10.049 4.621 8.662 615 HA ARG 81 HA ARG 81 -10.124 3.851 5.881 616 1HB ARG 81 1HB ARG 81 -7.607 4.770 7.357 617 2HB ARG 81 2HB ARG 81 -7.570 3.926 5.822 618 1HG ARG 81 1HG ARG 81 -9.357 6.334 5.979 619 2HG ARG 81 2HG ARG 81 -7.632 6.640 6.018 620 1HD ARG 81 1HD ARG 81 -7.299 5.474 3.894 621 2HD ARG 81 2HD ARG 81 -8.950 4.887 3.894 622 HE ARG 81 HE ARG 81 -8.057 7.624 3.242 623 1HH1 ARG 81 1HH1 ARG 81 -9.613 9.026 2.329 624 2HH1 ARG 81 2HH1 ARG 81 -11.289 8.589 2.348 625 1HH2 ARG 81 1HH2 ARG 81 -10.774 5.518 3.994 626 2HH2 ARG 81 2HH2 ARG 81 -11.954 6.581 3.301 627 H PHE 82 H PHE 82 -8.770 1.776 5.530 628 HA PHE 82 HA PHE 82 -8.691 -0.388 6.073 629 1HB PHE 82 1HB PHE 82 -6.956 1.257 7.915 630 2HB PHE 82 2HB PHE 82 -7.142 -0.423 8.377 631 HD1 PHE 82 HD1 PHE 82 -4.656 -0.551 8.045 632 HD2 PHE 82 HD2 PHE 82 -7.327 0.213 4.837 633 HE1 PHE 82 HE1 PHE 82 -2.871 -1.200 6.404 634 HE2 PHE 82 HE2 PHE 82 -5.542 -0.436 3.196 635 HZ PHE 82 HZ PHE 82 -3.335 -1.134 4.000 636 H THR 83 H THR 83 -11.173 0.157 6.776 637 HA THR 83 HA THR 83 -11.434 -1.053 9.443 638 HB THR 83 HB THR 83 -12.744 1.435 8.280 639 HG1 THR 83 HG1 THR 83 -10.975 1.710 9.738 640 1HG2 THR 83 1HG2 THR 83 -13.888 -0.579 10.220 641 2HG2 THR 83 2HG2 THR 83 -14.067 1.148 10.613 642 3HG2 THR 83 3HG2 THR 83 -14.739 0.506 9.094 643 H ASP 84 H ASP 84 -11.280 -2.778 7.450 644 HA ASP 84 HA ASP 84 -13.718 -4.028 7.525 645 1HB ASP 84 1HB ASP 84 -14.523 -3.828 5.217 646 2HB ASP 84 2HB ASP 84 -14.450 -2.238 5.950 647 H ILE 85 H ILE 85 -11.571 -5.285 8.115 648 HA ILE 85 HA ILE 85 -9.611 -5.996 6.436 649 HB ILE 85 HB ILE 85 -11.136 -7.698 8.403 650 1HG1 ILE 85 1HG1 ILE 85 -8.700 -7.164 9.500 651 2HG1 ILE 85 2HG1 ILE 85 -8.960 -5.697 8.578 652 1HG2 ILE 85 1HG2 ILE 85 -9.848 -9.005 6.630 653 2HG2 ILE 85 2HG2 ILE 85 -8.375 -8.316 7.352 654 3HG2 ILE 85 3HG2 ILE 85 -9.454 -9.337 8.333 655 1HD1 ILE 85 1HD1 ILE 85 -11.329 -6.677 10.115 656 2HD1 ILE 85 2HD1 ILE 85 -9.959 -6.083 11.083 657 3HD1 ILE 85 3HD1 ILE 85 -10.730 -5.017 9.884 658 H ASP 86 H ASP 86 -13.036 -6.872 6.193 659 HA ASP 86 HA ASP 86 -12.867 -9.061 4.595 660 1HB ASP 86 1HB ASP 86 -14.861 -7.265 5.452 661 2HB ASP 86 2HB ASP 86 -14.939 -7.159 3.705 662 H LYS 87 H LYS 87 -13.604 -5.684 3.418 663 HA LYS 87 HA LYS 87 -12.738 -6.351 0.779 664 1HB LYS 87 1HB LYS 87 -14.172 -4.177 2.120 665 2HB LYS 87 2HB LYS 87 -13.062 -3.596 0.896 666 1HG LYS 87 1HG LYS 87 -14.155 -4.734 -0.847 667 2HG LYS 87 2HG LYS 87 -14.801 -5.968 0.216 668 1HD LYS 87 1HD LYS 87 -16.590 -4.630 0.927 669 2HD LYS 87 2HD LYS 87 -15.723 -3.131 0.654 670 1HE LYS 87 1HE LYS 87 -17.411 -3.278 -1.069 671 2HE LYS 87 2HE LYS 87 -15.871 -3.577 -1.850 672 1HZ LYS 87 1HZ LYS 87 -17.509 -5.782 -0.841 673 2HZ LYS 87 2HZ LYS 87 -17.743 -5.160 -2.333 674 3HZ LYS 87 3HZ LYS 87 -16.308 -5.837 -1.947 675 H VAL 88 H VAL 88 -10.552 -7.113 1.742 676 HA VAL 88 HA VAL 88 -8.689 -4.959 1.251 677 HB VAL 88 HB VAL 88 -9.230 -6.086 3.918 678 1HG1 VAL 88 1HG1 VAL 88 -7.147 -7.282 3.396 679 2HG1 VAL 88 2HG1 VAL 88 -6.364 -5.741 2.972 680 3HG1 VAL 88 3HG1 VAL 88 -6.886 -6.043 4.647 681 1HG2 VAL 88 1HG2 VAL 88 -9.088 -3.583 2.825 682 2HG2 VAL 88 2HG2 VAL 88 -8.968 -3.941 4.564 683 3HG2 VAL 88 3HG2 VAL 88 -7.490 -3.722 3.597 684 H GLU 89 H GLU 89 -9.169 -8.399 2.295 685 HA GLU 89 HA GLU 89 -6.733 -9.191 1.115 686 1HB GLU 89 1HB GLU 89 -8.545 -10.292 2.932 687 2HB GLU 89 2HB GLU 89 -8.747 -11.312 1.522 688 1HG GLU 89 1HG GLU 89 -6.018 -11.160 1.573 689 2HG GLU 89 2HG GLU 89 -6.347 -10.955 3.282 690 H ASP 90 H ASP 90 -7.544 -7.881 -0.964 691 HA ASP 90 HA ASP 90 -7.729 -9.651 -2.994 692 1HB ASP 90 1HB ASP 90 -10.128 -9.220 -3.783 693 2HB ASP 90 2HB ASP 90 -9.958 -10.312 -2.423 694 H GLU 91 H GLU 91 -9.110 -6.532 -1.755 695 HA GLU 91 HA GLU 91 -9.085 -5.169 -4.143 696 1HB GLU 91 1HB GLU 91 -8.931 -4.317 -1.241 697 2HB GLU 91 2HB GLU 91 -8.827 -3.114 -2.511 698 1HG GLU 91 1HG GLU 91 -11.045 -5.121 -2.763 699 2HG GLU 91 2HG GLU 91 -11.192 -3.964 -1.454 700 H PHE 92 H PHE 92 -6.456 -6.338 -2.239 701 HA PHE 92 HA PHE 92 -4.624 -4.299 -3.189 702 1HB PHE 92 1HB PHE 92 -4.862 -6.313 -1.057 703 2HB PHE 92 2HB PHE 92 -3.344 -6.546 -1.901 704 HD1 PHE 92 HD1 PHE 92 -2.297 -3.992 -2.487 705 HD2 PHE 92 HD2 PHE 92 -4.572 -5.152 0.903 706 HE1 PHE 92 HE1 PHE 92 -1.272 -2.125 -1.159 707 HE2 PHE 92 HE2 PHE 92 -3.547 -3.285 2.230 708 HZ PHE 92 HZ PHE 92 -1.909 -1.794 1.183 709 H THR 93 H THR 93 -5.777 -7.517 -4.000 710 HA THR 93 HA THR 93 -3.430 -8.073 -5.634 711 HB THR 93 HB THR 93 -5.812 -9.568 -4.545 712 HG1 THR 93 HG1 THR 93 -3.798 -9.871 -3.525 713 1HG2 THR 93 1HG2 THR 93 -4.209 -10.369 -7.030 714 2HG2 THR 93 2HG2 THR 93 -5.178 -11.503 -6.059 715 3HG2 THR 93 3HG2 THR 93 -5.976 -10.172 -6.931 716 H LYS 94 H LYS 94 -6.858 -7.105 -5.934 717 HA LYS 94 HA LYS 94 -6.909 -7.449 -8.748 718 1HB LYS 94 1HB LYS 94 -8.699 -5.826 -6.915 719 2HB LYS 94 2HB LYS 94 -9.036 -6.203 -8.592 720 1HG LYS 94 1HG LYS 94 -8.446 -8.420 -6.599 721 2HG LYS 94 2HG LYS 94 -10.057 -7.741 -6.727 722 1HD LYS 94 1HD LYS 94 -10.481 -8.884 -8.646 723 2HD LYS 94 2HD LYS 94 -8.997 -8.323 -9.389 724 1HE LYS 94 1HE LYS 94 -7.732 -10.153 -8.567 725 2HE LYS 94 2HE LYS 94 -8.861 -10.484 -7.268 726 1HZ LYS 94 1HZ LYS 94 -10.462 -11.171 -8.953 727 2HZ LYS 94 2HZ LYS 94 -9.356 -10.929 -10.130 728 3HZ LYS 94 3HZ LYS 94 -9.107 -12.081 -9.000 729 H HIS 95 H HIS 95 -5.842 -5.009 -6.533 730 HA HIS 95 HA HIS 95 -5.793 -2.794 -8.407 731 1HB HIS 95 1HB HIS 95 -5.921 -2.751 -5.844 732 2HB HIS 95 2HB HIS 95 -4.144 -3.126 -5.850 733 HD1 HIS 95 HD1 HIS 95 -4.939 -0.913 -8.566 734 HD2 HIS 95 HD2 HIS 95 -4.176 -0.472 -4.480 735 HE1 HIS 95 HE1 HIS 95 -4.334 1.567 -8.212 736 H CYS 96 H CYS 96 -3.167 -4.806 -6.948 737 HA CYS 96 HA CYS 96 -1.065 -3.858 -8.551 738 1HB CYS 96 1HB CYS 96 -1.616 -6.398 -7.024 739 2HB CYS 96 2HB CYS 96 -0.171 -6.290 -8.060 740 H ASN 97 H ASN 97 -3.784 -5.973 -9.369 741 HA ASN 97 HA ASN 97 -2.403 -7.093 -11.595 742 1HB ASN 97 1HB ASN 97 -4.934 -7.502 -10.186 743 2HB ASN 97 2HB ASN 97 -5.236 -7.398 -11.909 744 1HD2 ASN 97 2HD2 ASN 97 -4.890 -9.536 -9.618 745 2HD2 ASN 97 1HD2 ASN 97 -4.039 -10.827 -10.400 746 H ASP 98 H ASP 98 -3.920 -4.118 -10.824 747 HA ASP 98 HA ASP 98 -4.471 -3.635 -13.647 748 1HB ASP 98 1HB ASP 98 -5.921 -2.883 -11.140 749 2HB ASP 98 2HB ASP 98 -5.810 -1.616 -12.345 750 H ILE 99 H ILE 99 -2.122 -3.285 -11.454 751 HA ILE 99 HA ILE 99 -1.520 -0.525 -12.252 752 HB ILE 99 HB ILE 99 -1.075 -1.833 -9.569 753 1HG1 ILE 99 1HG1 ILE 99 -3.337 -1.048 -9.817 754 2HG1 ILE 99 2HG1 ILE 99 -2.472 0.032 -8.741 755 1HG2 ILE 99 1HG2 ILE 99 0.830 -0.363 -10.529 756 2HG2 ILE 99 2HG2 ILE 99 -0.285 0.992 -10.232 757 3HG2 ILE 99 3HG2 ILE 99 0.235 -0.045 -8.882 758 1HD1 ILE 99 1HD1 ILE 99 -2.000 1.172 -11.245 759 2HD1 ILE 99 2HD1 ILE 99 -3.674 0.583 -11.375 760 3HD1 ILE 99 3HD1 ILE 99 -3.226 1.713 -10.075 761 H LEU 100 H LEU 100 -0.299 -3.773 -11.262 762 HA LEU 100 HA LEU 100 2.207 -3.113 -12.633 763 1HB LEU 100 1HB LEU 100 1.513 -5.100 -10.478 764 2HB LEU 100 2HB LEU 100 3.000 -5.202 -11.400 765 HG LEU 100 HG LEU 100 2.140 -2.908 -9.617 766 1HD1 LEU 100 1HD1 LEU 100 3.060 -5.217 -8.721 767 2HD1 LEU 100 2HD1 LEU 100 4.625 -4.511 -9.188 768 3HD1 LEU 100 3HD1 LEU 100 3.584 -3.669 -8.016 769 1HD2 LEU 100 1HD2 LEU 100 4.105 -3.020 -11.778 770 2HD2 LEU 100 2HD2 LEU 100 3.431 -1.623 -10.905 771 3HD2 LEU 100 3HD2 LEU 100 4.807 -2.522 -10.220 772 H GLY 101 H GLY 101 -0.679 -5.160 -12.615 773 1HA GLY 101 1HA GLY 101 0.216 -6.298 -15.180 774 2HA GLY 101 2HA GLY 101 -1.442 -6.085 -14.653 775 H ALA 102 H ALA 102 -0.263 -7.049 -11.823 776 HA ALA 102 HA ALA 102 -1.128 -9.735 -12.173 777 1HB ALA 102 1HB ALA 102 1.777 -9.085 -12.212 778 2HB ALA 102 2HB ALA 102 1.291 -10.410 -11.128 779 3HB ALA 102 3HB ALA 102 0.910 -10.496 -12.865 780 H ASP 103 H ASP 103 -0.343 -10.928 -9.883 781 HA ASP 103 HA ASP 103 -1.471 -9.140 -7.938 782 1HB ASP 103 1HB ASP 103 -2.135 -11.614 -8.298 783 2HB ASP 103 2HB ASP 103 -0.604 -12.038 -7.559 784 H CYS 104 H CYS 104 -0.241 -8.133 -6.424 785 HA CYS 104 HA CYS 104 2.599 -8.215 -6.454 786 1HB CYS 104 1HB CYS 104 0.502 -7.079 -4.592 787 2HB CYS 104 2HB CYS 104 2.234 -6.990 -4.181 788 H SER 105 H SER 105 4.049 -8.870 -4.580 789 HA SER 105 HA SER 105 3.374 -11.513 -3.854 790 1HB SER 105 1HB SER 105 5.676 -9.868 -2.737 791 2HB SER 105 2HB SER 105 5.586 -11.611 -2.895 792 HG SER 105 HG SER 105 6.309 -9.684 -4.782 793 HA PRO 106 HA PRO 106 1.350 -10.917 -0.003 794 1HB PRO 106 1HB PRO 106 2.372 -13.115 1.373 795 2HB PRO 106 2HB PRO 106 1.108 -13.208 0.103 796 1HG PRO 106 1HG PRO 106 4.132 -13.768 -0.281 797 2HG PRO 106 2HG PRO 106 2.635 -14.635 -0.757 798 1HD PRO 106 1HD PRO 106 3.960 -12.885 -2.433 799 2HD PRO 106 2HD PRO 106 2.179 -13.057 -2.456 800 H SER 107 H SER 107 4.864 -10.951 -0.363 801 HA SER 107 HA SER 107 5.250 -10.242 2.388 802 1HB SER 107 1HB SER 107 7.621 -10.239 1.854 803 2HB SER 107 2HB SER 107 6.893 -11.658 1.127 804 HG SER 107 HG SER 107 8.370 -9.869 -0.120 805 H GLU 108 H GLU 108 5.278 -8.735 -0.882 806 HA GLU 108 HA GLU 108 6.208 -6.251 0.038 807 1HB GLU 108 1HB GLU 108 4.608 -6.852 -2.488 808 2HB GLU 108 2HB GLU 108 5.618 -5.447 -2.208 809 1HG GLU 108 1HG GLU 108 6.733 -8.280 -2.079 810 2HG GLU 108 2HG GLU 108 6.648 -7.388 -3.585 811 H LYS 109 H LYS 109 3.295 -7.880 0.573 812 HA LYS 109 HA LYS 109 1.592 -5.557 0.430 813 1HB LYS 109 1HB LYS 109 1.093 -8.169 0.064 814 2HB LYS 109 2HB LYS 109 0.728 -8.075 1.775 815 1HG LYS 109 1HG LYS 109 -1.347 -7.472 0.935 816 2HG LYS 109 2HG LYS 109 -0.623 -5.879 1.029 817 1HD LYS 109 1HD LYS 109 -1.502 -5.941 -1.168 818 2HD LYS 109 2HD LYS 109 0.197 -6.294 -1.409 819 1HE LYS 109 1HE LYS 109 -1.161 -7.877 -2.713 820 2HE LYS 109 2HE LYS 109 -0.310 -8.743 -1.449 821 1HZ LYS 109 1HZ LYS 109 -2.790 -7.816 -0.509 822 2HZ LYS 109 2HZ LYS 109 -3.004 -8.695 -1.869 823 3HZ LYS 109 3HZ LYS 109 -2.229 -9.348 -0.589 824 H ALA 110 H ALA 110 2.669 -7.830 3.060 825 HA ALA 110 HA ALA 110 1.734 -6.289 5.155 826 1HB ALA 110 1HB ALA 110 4.241 -7.724 5.701 827 2HB ALA 110 2HB ALA 110 2.610 -7.984 6.364 828 3HB ALA 110 3HB ALA 110 3.061 -8.705 4.800 829 H ASN 111 H ASN 111 4.704 -6.044 3.186 830 HA ASN 111 HA ASN 111 6.180 -4.456 4.843 831 1HB ASN 111 1HB ASN 111 7.163 -5.330 2.802 832 2HB ASN 111 2HB ASN 111 5.940 -4.572 1.801 833 1HD2 ASN 111 2HD2 ASN 111 7.558 -3.124 4.579 834 2HD2 ASN 111 1HD2 ASN 111 8.418 -1.883 3.731 835 H PHE 112 H PHE 112 4.165 -3.392 1.985 836 HA PHE 112 HA PHE 112 4.270 -0.707 2.406 837 1HB PHE 112 1HB PHE 112 3.240 -2.013 0.474 838 2HB PHE 112 2HB PHE 112 1.909 -2.472 1.517 839 HD1 PHE 112 HD1 PHE 112 -0.024 -1.206 1.465 840 HD2 PHE 112 HD2 PHE 112 3.622 0.593 0.252 841 HE1 PHE 112 HE1 PHE 112 -1.272 0.862 0.783 842 HE2 PHE 112 HE2 PHE 112 2.375 2.661 -0.431 843 HZ PHE 112 HZ PHE 112 -0.057 2.771 -0.157 844 H ILE 113 H ILE 113 2.010 -3.109 3.880 845 HA ILE 113 HA ILE 113 0.323 -1.296 5.116 846 HB ILE 113 HB ILE 113 1.089 -4.144 5.531 847 1HG1 ILE 113 1HG1 ILE 113 -1.737 -3.451 5.451 848 2HG1 ILE 113 2HG1 ILE 113 -0.876 -2.760 4.091 849 1HG2 ILE 113 1HG2 ILE 113 0.950 -3.225 7.817 850 2HG2 ILE 113 2HG2 ILE 113 -0.689 -2.628 7.461 851 3HG2 ILE 113 3HG2 ILE 113 -0.359 -4.377 7.459 852 1HD1 ILE 113 1HD1 ILE 113 -0.192 -5.596 4.782 853 2HD1 ILE 113 2HD1 ILE 113 -1.805 -5.304 4.088 854 3HD1 ILE 113 3HD1 ILE 113 -0.348 -4.820 3.187 855 H ALA 114 H ALA 114 3.535 -2.576 6.071 856 HA ALA 114 HA ALA 114 3.478 -1.525 8.682 857 1HB ALA 114 1HB ALA 114 5.320 -2.804 8.747 858 2HB ALA 114 2HB ALA 114 5.226 -3.034 6.985 859 3HB ALA 114 3HB ALA 114 6.151 -1.669 7.656 860 H TYR 115 H TYR 115 5.422 -0.458 5.863 861 HA TYR 115 HA TYR 115 6.277 1.986 6.783 862 1HB TYR 115 1HB TYR 115 6.208 0.626 4.349 863 2HB TYR 115 2HB TYR 115 5.354 2.142 4.012 864 HD1 TYR 115 HD1 TYR 115 8.570 0.609 4.923 865 HD2 TYR 115 HD2 TYR 115 6.500 4.297 4.169 866 HE1 TYR 115 HE1 TYR 115 10.743 1.789 4.732 867 HE2 TYR 115 HE2 TYR 115 8.673 5.477 3.978 868 HH TYR 115 HH TYR 115 11.750 3.793 3.918 869 H LEU 116 H LEU 116 2.987 1.141 5.568 870 HA LEU 116 HA LEU 116 2.144 3.846 5.456 871 1HB LEU 116 1HB LEU 116 0.957 1.159 5.137 872 2HB LEU 116 2HB LEU 116 -0.145 2.414 5.669 873 HG LEU 116 HG LEU 116 1.463 2.316 3.113 874 1HD1 LEU 116 1HD1 LEU 116 -1.500 2.375 3.730 875 2HD1 LEU 116 2HD1 LEU 116 -0.817 2.601 2.102 876 3HD1 LEU 116 3HD1 LEU 116 -0.563 1.066 2.968 877 1HD2 LEU 116 1HD2 LEU 116 0.223 4.668 4.488 878 2HD2 LEU 116 2HD2 LEU 116 1.730 4.552 3.549 879 3HD2 LEU 116 3HD2 LEU 116 0.159 4.565 2.712 880 H LEU 117 H LEU 117 2.020 1.214 7.909 881 HA LEU 117 HA LEU 117 0.674 3.016 9.747 882 1HB LEU 117 1HB LEU 117 0.155 1.171 11.002 883 2HB LEU 117 2HB LEU 117 0.111 0.545 9.366 884 HG LEU 117 HG LEU 117 2.658 -0.068 9.953 885 1HD1 LEU 117 1HD1 LEU 117 1.618 0.781 12.461 886 2HD1 LEU 117 2HD1 LEU 117 1.862 -0.980 12.537 887 3HD1 LEU 117 3HD1 LEU 117 3.215 0.087 12.091 888 1HD2 LEU 117 1HD2 LEU 117 0.809 -1.566 9.179 889 2HD2 LEU 117 2HD2 LEU 117 1.941 -2.318 10.328 890 3HD2 LEU 117 3HD2 LEU 117 0.339 -1.777 10.883 891 H THR 118 H THR 118 3.569 3.268 8.639 892 HA THR 118 HA THR 118 4.791 3.586 11.295 893 HB THR 118 HB THR 118 6.003 2.398 8.746 894 HG1 THR 118 HG1 THR 118 6.076 0.573 10.176 895 1HG2 THR 118 1HG2 THR 118 7.259 3.711 11.096 896 2HG2 THR 118 2HG2 THR 118 7.795 2.032 10.854 897 3HG2 THR 118 3HG2 THR 118 7.994 3.227 9.550 898 H GLU 119 H GLU 119 5.838 4.321 7.915 899 HA GLU 119 HA GLU 119 6.339 7.008 8.835 900 1HB GLU 119 1HB GLU 119 7.000 5.711 6.154 901 2HB GLU 119 2HB GLU 119 7.592 7.260 6.720 902 1HG GLU 119 1HG GLU 119 8.156 5.312 8.771 903 2HG GLU 119 2HG GLU 119 8.670 4.632 7.240 904 H THR 120 H THR 120 3.975 7.491 9.033 905 HA THR 120 HA THR 120 2.874 8.212 6.399 906 HB THR 120 HB THR 120 1.553 6.343 7.109 907 HG1 THR 120 HG1 THR 120 -0.402 7.593 7.963 908 1HG2 THR 120 1HG2 THR 120 1.570 7.649 9.881 909 2HG2 THR 120 2HG2 THR 120 0.558 6.256 9.430 910 3HG2 THR 120 3HG2 THR 120 2.331 6.100 9.448 911 H LYS 121 H LYS 121 4.304 10.158 7.106 912 HA LYS 121 HA LYS 121 2.481 11.973 8.503 913 1HB LYS 121 1HB LYS 121 5.474 11.813 8.971 914 2HB LYS 121 2HB LYS 121 4.393 13.014 9.648 915 1HG LYS 121 1HG LYS 121 3.246 11.403 10.997 916 2HG LYS 121 2HG LYS 121 3.859 10.052 10.064 917 1HD LYS 121 1HD LYS 121 5.816 9.961 11.247 918 2HD LYS 121 2HD LYS 121 6.024 11.701 11.221 919 1HE LYS 121 1HE LYS 121 4.553 12.009 13.117 920 2HE LYS 121 2HE LYS 121 3.951 10.366 13.013 921 1HZ LYS 121 1HZ LYS 121 6.643 10.104 13.255 922 2HZ LYS 121 2HZ LYS 121 6.280 11.319 14.284 923 3HZ LYS 121 3HZ LYS 121 5.541 9.871 14.437 924 HA PRO 122 HA PRO 122 3.240 14.465 4.975 925 1HB PRO 122 1HB PRO 122 2.168 16.811 5.880 926 2HB PRO 122 2HB PRO 122 1.166 15.352 5.587 927 1HG PRO 122 1HG PRO 122 2.136 16.406 8.386 928 2HG PRO 122 2HG PRO 122 0.676 15.744 7.581 929 1HD PRO 122 1HD PRO 122 2.748 14.306 9.018 930 2HD PRO 122 2HD PRO 122 1.384 13.604 8.095 931 H THR 123 H THR 123 4.407 16.572 4.333 932 HA THR 123 HA THR 123 6.625 17.002 6.220 933 HB THR 123 HB THR 123 6.382 17.011 3.179 934 HG1 THR 123 HG1 THR 123 7.449 15.122 3.623 935 1HG2 THR 123 1HG2 THR 123 8.682 18.015 4.938 936 2HG2 THR 123 2HG2 THR 123 8.839 17.624 3.208 937 3HG2 THR 123 3HG2 THR 123 7.792 18.967 3.725 938 H LYS 124 H LYS 124 4.857 18.796 3.603 939 HA LYS 124 HA LYS 124 4.214 20.903 3.477 940 1HB LYS 124 1HB LYS 124 4.037 20.656 6.494 941 2HB LYS 124 2HB LYS 124 3.407 22.008 5.575 942 1HG LYS 124 1HG LYS 124 2.017 20.361 4.222 943 2HG LYS 124 2HG LYS 124 2.567 19.086 5.290 944 1HD LYS 124 1HD LYS 124 1.347 21.563 6.519 945 2HD LYS 124 2HD LYS 124 0.280 20.397 5.763 946 1HE LYS 124 1HE LYS 124 1.410 18.585 7.189 947 2HE LYS 124 2HE LYS 124 2.237 19.871 8.046 948 1HZ LYS 124 1HZ LYS 124 -0.679 19.832 7.764 949 2HZ LYS 124 2HZ LYS 124 0.083 19.090 9.003 950 3HZ LYS 124 3HZ LYS 124 0.217 20.706 8.813 No H/Q in entry = 950 Start of MODEL 18 1 H1 ASP 1 H1 ASP 1 -8.348 -0.561 10.491 2 H2 ASP 1 H2 ASP 1 -9.804 -0.557 11.280 3 H3 ASP 1 H3 ASP 1 -9.304 0.791 10.459 4 HA ASP 1 HA ASP 1 -8.135 1.546 12.028 5 1HB ASP 1 1HB ASP 1 -8.988 -0.567 13.974 6 2HB ASP 1 2HB ASP 1 -9.067 1.177 14.126 7 H VAL 2 H VAL 2 -6.533 0.927 14.024 8 HA VAL 2 HA VAL 2 -4.394 -0.444 12.986 9 HB VAL 2 HB VAL 2 -5.212 0.176 15.825 10 1HG1 VAL 2 1HG1 VAL 2 -2.615 -0.979 14.774 11 2HG1 VAL 2 2HG1 VAL 2 -2.748 -0.145 16.341 12 3HG1 VAL 2 3HG1 VAL 2 -3.678 -1.633 16.043 13 1HG2 VAL 2 1HG2 VAL 2 -4.529 1.895 13.838 14 2HG2 VAL 2 2HG2 VAL 2 -4.215 2.192 15.565 15 3HG2 VAL 2 3HG2 VAL 2 -2.925 1.542 14.524 16 H THR 3 H THR 3 -7.020 -1.613 15.181 17 HA THR 3 HA THR 3 -6.069 -4.121 15.725 18 HB THR 3 HB THR 3 -8.871 -3.002 15.246 19 HG1 THR 3 HG1 THR 3 -7.296 -2.405 17.065 20 1HG2 THR 3 1HG2 THR 3 -7.975 -5.746 16.243 21 2HG2 THR 3 2HG2 THR 3 -9.524 -5.023 16.740 22 3HG2 THR 3 3HG2 THR 3 -9.219 -5.382 15.023 23 H ASN 4 H ASN 4 -7.250 -2.848 12.648 24 HA ASN 4 HA ASN 4 -7.449 -5.505 11.581 25 1HB ASN 4 1HB ASN 4 -7.914 -2.700 10.486 26 2HB ASN 4 2HB ASN 4 -7.842 -4.069 9.393 27 1HD2 ASN 4 2HD2 ASN 4 -8.988 -4.305 12.692 28 2HD2 ASN 4 1HD2 ASN 4 -10.663 -4.587 12.351 29 H ALA 5 H ALA 5 -5.621 -2.412 10.943 30 HA ALA 5 HA ALA 5 -3.909 -3.302 9.013 31 1HB ALA 5 1HB ALA 5 -3.065 -1.453 11.262 32 2HB ALA 5 2HB ALA 5 -2.606 -1.394 9.543 33 3HB ALA 5 3HB ALA 5 -4.259 -0.959 10.038 34 H GLU 6 H GLU 6 -3.470 -3.445 12.614 35 HA GLU 6 HA GLU 6 -0.995 -4.569 12.613 36 1HB GLU 6 1HB GLU 6 -2.027 -3.773 14.659 37 2HB GLU 6 2HB GLU 6 -3.336 -4.930 14.526 38 1HG GLU 6 1HG GLU 6 -1.559 -5.604 16.189 39 2HG GLU 6 2HG GLU 6 -1.843 -6.804 14.943 40 H LYS 7 H LYS 7 -4.213 -6.130 12.219 41 HA LYS 7 HA LYS 7 -3.300 -8.770 12.400 42 1HB LYS 7 1HB LYS 7 -5.622 -8.281 12.683 43 2HB LYS 7 2HB LYS 7 -5.730 -7.507 11.116 44 1HG LYS 7 1HG LYS 7 -4.886 -10.418 11.368 45 2HG LYS 7 2HG LYS 7 -6.579 -9.970 11.339 46 1HD LYS 7 1HD LYS 7 -5.353 -8.535 9.195 47 2HD LYS 7 2HD LYS 7 -4.701 -10.159 9.120 48 1HE LYS 7 1HE LYS 7 -7.449 -10.555 9.634 49 2HE LYS 7 2HE LYS 7 -7.419 -9.216 8.503 50 1HZ LYS 7 1HZ LYS 7 -5.867 -10.613 7.164 51 2HZ LYS 7 2HZ LYS 7 -6.233 -11.870 8.140 52 3HZ LYS 7 3HZ LYS 7 -7.403 -11.163 7.246 53 H LEU 8 H LEU 8 -3.952 -6.655 9.520 54 HA LEU 8 HA LEU 8 -3.243 -8.414 7.567 55 1HB LEU 8 1HB LEU 8 -2.927 -5.429 7.791 56 2HB LEU 8 2HB LEU 8 -2.497 -6.299 6.332 57 HG LEU 8 HG LEU 8 -5.208 -5.872 7.556 58 1HD1 LEU 8 1HD1 LEU 8 -3.756 -4.916 5.257 59 2HD1 LEU 8 2HD1 LEU 8 -5.260 -5.721 4.748 60 3HD1 LEU 8 3HD1 LEU 8 -5.320 -4.381 5.918 61 1HD2 LEU 8 1HD2 LEU 8 -4.332 -8.216 5.915 62 2HD2 LEU 8 2HD2 LEU 8 -5.499 -8.126 7.256 63 3HD2 LEU 8 3HD2 LEU 8 -5.947 -7.521 5.643 64 H VAL 9 H VAL 9 -1.122 -6.467 9.714 65 HA VAL 9 HA VAL 9 1.261 -7.109 8.351 66 HB VAL 9 HB VAL 9 0.812 -6.310 11.234 67 1HG1 VAL 9 1HG1 VAL 9 3.256 -6.212 9.441 68 2HG1 VAL 9 2HG1 VAL 9 3.123 -5.335 10.984 69 3HG1 VAL 9 3HG1 VAL 9 3.052 -7.114 10.962 70 1HG2 VAL 9 1HG2 VAL 9 0.213 -4.873 8.868 71 2HG2 VAL 9 2HG2 VAL 9 0.238 -4.269 10.542 72 3HG2 VAL 9 3HG2 VAL 9 1.702 -4.161 9.534 73 H TYR 10 H TYR 10 -0.390 -8.433 11.231 74 HA TYR 10 HA TYR 10 1.539 -10.531 11.649 75 1HB TYR 10 1HB TYR 10 -0.146 -9.439 13.291 76 2HB TYR 10 2HB TYR 10 -1.331 -10.551 12.586 77 HD1 TYR 10 HD1 TYR 10 -1.172 -12.961 12.948 78 HD2 TYR 10 HD2 TYR 10 1.678 -10.255 14.682 79 HE1 TYR 10 HE1 TYR 10 -0.392 -14.758 14.469 80 HE2 TYR 10 HE2 TYR 10 2.458 -12.052 16.203 81 HH TYR 10 HH TYR 10 2.171 -14.207 16.902 82 H LYS 11 H LYS 11 -0.656 -10.051 9.120 83 HA LYS 11 HA LYS 11 -1.161 -12.930 8.896 84 1HB LYS 11 1HB LYS 11 -2.812 -10.651 8.503 85 2HB LYS 11 2HB LYS 11 -2.543 -11.358 6.923 86 1HG LYS 11 1HG LYS 11 -4.425 -12.545 7.744 87 2HG LYS 11 2HG LYS 11 -3.093 -13.646 8.031 88 1HD LYS 11 1HD LYS 11 -3.058 -13.216 10.363 89 2HD LYS 11 2HD LYS 11 -3.875 -11.675 10.194 90 1HE LYS 11 1HE LYS 11 -5.987 -12.638 10.075 91 2HE LYS 11 2HE LYS 11 -5.407 -14.080 9.265 92 1HZ LYS 11 1HZ LYS 11 -4.232 -14.390 11.569 93 2HZ LYS 11 2HZ LYS 11 -5.492 -13.491 12.090 94 3HZ LYS 11 3HZ LYS 11 -5.762 -14.901 11.312 95 H TYR 12 H TYR 12 -0.773 -10.265 6.548 96 HA TYR 12 HA TYR 12 0.343 -11.687 4.473 97 1HB TYR 12 1HB TYR 12 0.874 -8.867 5.444 98 2HB TYR 12 2HB TYR 12 1.521 -9.493 3.918 99 HD1 TYR 12 HD1 TYR 12 -0.278 -10.604 2.316 100 HD2 TYR 12 HD2 TYR 12 -1.172 -7.776 5.424 101 HE1 TYR 12 HE1 TYR 12 -2.404 -10.025 1.179 102 HE2 TYR 12 HE2 TYR 12 -3.298 -7.198 4.286 103 HH TYR 12 HH TYR 12 -4.544 -8.998 1.561 104 H THR 13 H THR 13 1.868 -10.836 7.572 105 HA THR 13 HA THR 13 4.532 -11.259 6.606 106 HB THR 13 HB THR 13 3.286 -11.065 9.399 107 HG1 THR 13 HG1 THR 13 4.909 -9.268 7.745 108 1HG2 THR 13 1HG2 THR 13 5.662 -12.157 9.199 109 2HG2 THR 13 2HG2 THR 13 6.191 -10.557 8.625 110 3HG2 THR 13 3HG2 THR 13 5.500 -10.734 10.256 111 H ASN 14 H ASN 14 2.286 -13.168 8.723 112 HA ASN 14 HA ASN 14 3.922 -15.310 9.036 113 1HB ASN 14 1HB ASN 14 1.481 -14.747 9.949 114 2HB ASN 14 2HB ASN 14 0.940 -15.696 8.578 115 1HD2 ASN 14 2HD2 ASN 14 2.966 -15.712 11.463 116 2HD2 ASN 14 1HD2 ASN 14 2.927 -17.416 11.769 117 H ILE 15 H ILE 15 1.266 -14.830 6.576 118 HA ILE 15 HA ILE 15 1.549 -17.139 5.166 119 HB ILE 15 HB ILE 15 0.655 -14.373 4.519 120 1HG1 ILE 15 1HG1 ILE 15 -0.972 -16.785 3.935 121 2HG1 ILE 15 2HG1 ILE 15 -0.577 -16.527 5.622 122 1HG2 ILE 15 1HG2 ILE 15 1.547 -16.363 2.516 123 2HG2 ILE 15 2HG2 ILE 15 -0.050 -15.629 2.234 124 3HG2 ILE 15 3HG2 ILE 15 1.388 -14.594 2.399 125 1HD1 ILE 15 1HD1 ILE 15 -1.363 -14.093 5.309 126 2HD1 ILE 15 2HD1 ILE 15 -2.019 -14.619 3.740 127 3HD1 ILE 15 3HD1 ILE 15 -2.629 -15.343 5.247 128 H ALA 16 H ALA 16 3.358 -14.034 4.678 129 HA ALA 16 HA ALA 16 4.890 -14.905 2.539 130 1HB ALA 16 1HB ALA 16 5.766 -12.985 4.725 131 2HB ALA 16 2HB ALA 16 4.590 -12.553 3.461 132 3HB ALA 16 3HB ALA 16 6.256 -12.990 3.014 133 H HIS 17 H HIS 17 5.517 -15.050 6.106 134 HA HIS 17 HA HIS 17 8.033 -16.223 5.860 135 1HB HIS 17 1HB HIS 17 7.083 -15.081 7.876 136 2HB HIS 17 2HB HIS 17 6.065 -16.481 8.149 137 HD1 HIS 17 HD1 HIS 17 9.817 -15.766 7.738 138 HD2 HIS 17 HD2 HIS 17 7.211 -18.316 9.810 139 HE1 HIS 17 HE1 HIS 17 11.278 -17.182 9.278 140 H SER 18 H SER 18 4.730 -17.519 5.713 141 HA SER 18 HA SER 18 5.479 -20.185 6.151 142 1HB SER 18 1HB SER 18 3.175 -19.464 6.488 143 2HB SER 18 2HB SER 18 3.043 -18.925 4.826 144 HG SER 18 HG SER 18 2.308 -20.889 4.415 145 H ALA 19 H ALA 19 5.762 -17.987 3.461 146 HA ALA 19 HA ALA 19 5.992 -20.184 1.551 147 1HB ALA 19 1HB ALA 19 4.605 -18.123 1.070 148 2HB ALA 19 2HB ALA 19 5.870 -18.464 -0.135 149 3HB ALA 19 3HB ALA 19 6.116 -17.183 1.076 150 H ASN 20 H ASN 20 7.837 -17.683 3.306 151 HA ASN 20 HA ASN 20 10.234 -18.981 2.307 152 1HB ASN 20 1HB ASN 20 9.433 -16.380 1.541 153 2HB ASN 20 2HB ASN 20 10.599 -16.090 2.816 154 1HD2 ASN 20 2HD2 ASN 20 12.446 -17.945 2.636 155 2HD2 ASN 20 1HD2 ASN 20 13.254 -17.960 1.104 156 HA PRO 21 HA PRO 21 10.684 -18.837 6.791 157 1HB PRO 21 1HB PRO 21 12.686 -20.661 6.970 158 2HB PRO 21 2HB PRO 21 11.025 -21.143 6.491 159 1HG PRO 21 1HG PRO 21 13.316 -20.471 4.854 160 2HG PRO 21 2HG PRO 21 12.374 -21.967 4.546 161 1HD PRO 21 1HD PRO 21 11.967 -19.771 3.030 162 2HD PRO 21 2HD PRO 21 10.556 -20.699 3.620 163 H MET 22 H MET 22 11.746 -16.630 5.191 164 HA MET 22 HA MET 22 14.160 -16.238 6.728 165 1HB MET 22 1HB MET 22 15.432 -15.484 4.758 166 2HB MET 22 2HB MET 22 14.820 -17.092 4.424 167 1HG MET 22 1HG MET 22 12.870 -16.069 3.194 168 2HG MET 22 2HG MET 22 13.542 -14.477 3.486 169 1HE MET 22 1HE MET 22 14.932 -13.394 2.476 170 2HE MET 22 2HE MET 22 16.482 -13.974 1.822 171 3HE MET 22 3HE MET 22 15.116 -13.658 0.725 172 H TYR 23 H TYR 23 11.458 -15.288 6.959 173 HA TYR 23 HA TYR 23 11.997 -12.406 6.919 174 1HB TYR 23 1HB TYR 23 11.021 -12.874 4.692 175 2HB TYR 23 2HB TYR 23 9.617 -13.618 5.474 176 HD1 TYR 23 HD1 TYR 23 7.734 -12.320 5.862 177 HD2 TYR 23 HD2 TYR 23 11.555 -10.398 5.468 178 HE1 TYR 23 HE1 TYR 23 6.632 -10.102 5.994 179 HE2 TYR 23 HE2 TYR 23 10.453 -8.180 5.600 180 HH TYR 23 HH TYR 23 8.094 -7.201 5.146 181 H GLU 24 H GLU 24 11.534 -11.829 9.024 182 HA GLU 24 HA GLU 24 9.477 -13.377 10.343 183 1HB GLU 24 1HB GLU 24 11.676 -11.528 11.319 184 2HB GLU 24 2HB GLU 24 10.370 -12.007 12.384 185 1HG GLU 24 1HG GLU 24 11.598 -14.265 10.884 186 2HG GLU 24 2HG GLU 24 12.700 -13.455 11.980 187 H ALA 25 H ALA 25 10.422 -9.947 9.657 188 HA ALA 25 HA ALA 25 7.670 -9.222 9.408 189 1HB ALA 25 1HB ALA 25 8.728 -7.395 11.368 190 2HB ALA 25 2HB ALA 25 8.863 -9.057 11.992 191 3HB ALA 25 3HB ALA 25 7.282 -8.427 11.470 192 HA PRO 26 HA PRO 26 9.278 -5.950 6.980 193 1HB PRO 26 1HB PRO 26 7.861 -3.861 8.593 194 2HB PRO 26 2HB PRO 26 7.634 -4.373 6.890 195 1HG PRO 26 1HG PRO 26 5.587 -5.298 8.771 196 2HG PRO 26 2HG PRO 26 6.366 -6.135 7.390 197 1HD PRO 26 1HD PRO 26 7.316 -6.042 10.325 198 2HD PRO 26 2HD PRO 26 6.726 -7.481 9.439 199 H SER 27 H SER 27 10.613 -3.829 6.990 200 HA SER 27 HA SER 27 11.926 -3.521 9.568 201 1HB SER 27 1HB SER 27 13.094 -4.809 7.384 202 2HB SER 27 2HB SER 27 13.715 -3.177 7.241 203 HG SER 27 HG SER 27 15.159 -4.134 8.610 204 H ILE 28 H ILE 28 9.880 -2.076 7.635 205 HA ILE 28 HA ILE 28 9.498 -0.040 6.819 206 HB ILE 28 HB ILE 28 9.997 1.783 8.423 207 1HG1 ILE 28 1HG1 ILE 28 11.375 -0.371 10.053 208 2HG1 ILE 28 2HG1 ILE 28 12.209 0.892 9.169 209 1HG2 ILE 28 1HG2 ILE 28 8.693 -0.789 9.261 210 2HG2 ILE 28 2HG2 ILE 28 8.782 0.584 10.391 211 3HG2 ILE 28 3HG2 ILE 28 7.959 0.772 8.824 212 1HD1 ILE 28 1HD1 ILE 28 10.566 2.506 10.514 213 2HD1 ILE 28 2HD1 ILE 28 10.476 1.119 11.627 214 3HD1 ILE 28 3HD1 ILE 28 12.047 1.880 11.277 215 H THR 29 H THR 29 11.324 -0.997 5.196 216 HA THR 29 HA THR 29 13.106 1.281 4.782 217 HB THR 29 HB THR 29 13.957 -1.660 4.911 218 HG1 THR 29 HG1 THR 29 15.364 -0.528 6.577 219 1HG2 THR 29 1HG2 THR 29 15.106 0.601 3.461 220 2HG2 THR 29 2HG2 THR 29 16.176 0.135 4.806 221 3HG2 THR 29 3HG2 THR 29 15.715 -1.067 3.577 222 H ASP 30 H ASP 30 11.974 -1.902 3.463 223 HA ASP 30 HA ASP 30 12.470 -1.188 0.836 224 1HB ASP 30 1HB ASP 30 12.138 -3.501 1.311 225 2HB ASP 30 2HB ASP 30 10.654 -3.202 2.193 226 H GLY 31 H GLY 31 9.853 -0.491 3.120 227 1HA GLY 31 1HA GLY 31 7.873 0.573 2.935 228 2HA GLY 31 2HA GLY 31 7.813 0.131 1.240 229 H LYS 32 H LYS 32 9.814 1.356 -0.049 230 HA LYS 32 HA LYS 32 9.098 4.123 0.197 231 1HB LYS 32 1HB LYS 32 11.616 3.125 1.326 232 2HB LYS 32 2HB LYS 32 11.854 4.394 0.141 233 1HG LYS 32 1HG LYS 32 9.879 4.592 2.463 234 2HG LYS 32 2HG LYS 32 11.513 5.222 2.521 235 1HD LYS 32 1HD LYS 32 10.070 6.098 0.100 236 2HD LYS 32 2HD LYS 32 9.246 6.581 1.569 237 1HE LYS 32 1HE LYS 32 12.106 7.032 1.880 238 2HE LYS 32 2HE LYS 32 11.561 7.780 0.392 239 1HZ LYS 32 1HZ LYS 32 10.048 8.141 2.864 240 2HZ LYS 32 2HZ LYS 32 11.349 9.075 2.542 241 3HZ LYS 32 3HZ LYS 32 10.065 9.085 1.532 242 H ILE 33 H ILE 33 11.754 2.061 -1.196 243 HA ILE 33 HA ILE 33 11.695 3.393 -3.662 244 HB ILE 33 HB ILE 33 12.763 0.686 -2.859 245 1HG1 ILE 33 1HG1 ILE 33 14.330 3.228 -3.307 246 2HG1 ILE 33 2HG1 ILE 33 13.634 2.842 -1.746 247 1HG2 ILE 33 1HG2 ILE 33 12.260 1.201 -5.387 248 2HG2 ILE 33 2HG2 ILE 33 13.740 2.183 -5.262 249 3HG2 ILE 33 3HG2 ILE 33 13.793 0.442 -4.895 250 1HD1 ILE 33 1HD1 ILE 33 15.424 0.902 -3.272 251 2HD1 ILE 33 2HD1 ILE 33 16.044 2.071 -2.081 252 3HD1 ILE 33 3HD1 ILE 33 14.912 0.795 -1.570 253 H PHE 34 H PHE 34 10.308 0.216 -2.589 254 HA PHE 34 HA PHE 34 9.174 -0.493 -4.987 255 1HB PHE 34 1HB PHE 34 9.282 -1.972 -3.021 256 2HB PHE 34 2HB PHE 34 8.388 -0.828 -2.040 257 HD1 PHE 34 HD1 PHE 34 6.152 -1.247 -1.663 258 HD2 PHE 34 HD2 PHE 34 7.950 -2.825 -5.168 259 HE1 PHE 34 HE1 PHE 34 4.015 -2.437 -2.224 260 HE2 PHE 34 HE2 PHE 34 5.813 -4.014 -5.729 261 HZ PHE 34 HZ PHE 34 3.871 -3.806 -4.251 262 H PHE 35 H PHE 35 8.310 2.112 -2.821 263 HA PHE 35 HA PHE 35 5.703 2.341 -4.141 264 1HB PHE 35 1HB PHE 35 5.707 2.238 -1.649 265 2HB PHE 35 2HB PHE 35 6.953 3.468 -1.568 266 HD1 PHE 35 HD1 PHE 35 3.452 2.947 -2.723 267 HD2 PHE 35 HD2 PHE 35 6.355 5.702 -1.315 268 HE1 PHE 35 HE1 PHE 35 1.686 4.724 -2.560 269 HE2 PHE 35 HE2 PHE 35 4.590 7.479 -1.152 270 HZ PHE 35 HZ PHE 35 2.277 6.969 -1.776 271 H ASN 36 H ASN 36 8.775 3.293 -4.694 272 HA ASN 36 HA ASN 36 7.847 5.801 -5.791 273 1HB ASN 36 1HB ASN 36 10.264 5.430 -3.965 274 2HB ASN 36 2HB ASN 36 10.185 6.768 -5.094 275 1HD2 ASN 36 2HD2 ASN 36 10.399 7.402 -2.545 276 2HD2 ASN 36 1HD2 ASN 36 8.925 8.015 -1.873 277 H ARG 37 H ARG 37 8.502 3.021 -6.782 278 HA ARG 37 HA ARG 37 10.910 3.617 -8.294 279 1HB ARG 37 1HB ARG 37 10.727 1.456 -6.888 280 2HB ARG 37 2HB ARG 37 9.517 0.910 -8.032 281 1HG ARG 37 1HG ARG 37 11.102 0.321 -9.548 282 2HG ARG 37 2HG ARG 37 11.850 1.903 -9.472 283 1HD ARG 37 1HD ARG 37 13.027 1.199 -7.341 284 2HD ARG 37 2HD ARG 37 12.344 -0.404 -7.528 285 HE ARG 37 HE ARG 37 13.957 -0.853 -9.152 286 1HH1 ARG 37 1HH1 ARG 37 15.666 -0.386 -10.595 287 2HH1 ARG 37 2HH1 ARG 37 16.074 1.259 -10.951 288 1HH2 ARG 37 1HH2 ARG 37 13.590 2.635 -8.867 289 2HH2 ARG 37 2HH2 ARG 37 14.885 2.989 -9.961 290 H LYS 38 H LYS 38 10.091 4.825 -10.054 291 HA LYS 38 HA LYS 38 7.677 4.494 -11.288 292 1HB LYS 38 1HB LYS 38 8.882 6.423 -11.810 293 2HB LYS 38 2HB LYS 38 10.345 5.542 -12.197 294 1HG LYS 38 1HG LYS 38 9.239 4.576 -14.218 295 2HG LYS 38 2HG LYS 38 7.763 5.436 -13.828 296 1HD LYS 38 1HD LYS 38 8.991 6.714 -15.513 297 2HD LYS 38 2HD LYS 38 8.999 7.615 -14.010 298 1HE LYS 38 1HE LYS 38 11.252 7.637 -15.006 299 2HE LYS 38 2HE LYS 38 11.284 6.756 -13.492 300 1HZ LYS 38 1HZ LYS 38 10.894 5.383 -16.048 301 2HZ LYS 38 2HZ LYS 38 12.385 5.691 -15.458 302 3HZ LYS 38 3HZ LYS 38 11.354 4.741 -14.619 303 H PHE 39 H PHE 39 6.977 2.374 -11.584 304 HA PHE 39 HA PHE 39 8.699 0.653 -13.188 305 1HB PHE 39 1HB PHE 39 6.910 -1.041 -12.464 306 2HB PHE 39 2HB PHE 39 7.751 -0.295 -11.120 307 HD1 PHE 39 HD1 PHE 39 4.626 -0.126 -13.108 308 HD2 PHE 39 HD2 PHE 39 6.569 0.903 -9.479 309 HE1 PHE 39 HE1 PHE 39 2.430 0.609 -12.140 310 HE2 PHE 39 HE2 PHE 39 4.373 1.639 -8.511 311 HZ PHE 39 HZ PHE 39 2.329 1.483 -9.854 312 H LYS 40 H LYS 40 7.556 -0.731 -14.890 313 HA LYS 40 HA LYS 40 5.680 0.998 -16.340 314 1HB LYS 40 1HB LYS 40 7.943 0.532 -17.358 315 2HB LYS 40 2HB LYS 40 7.484 -1.154 -17.476 316 1HG LYS 40 1HG LYS 40 5.330 -0.241 -18.697 317 2HG LYS 40 2HG LYS 40 6.257 1.233 -18.894 318 1HD LYS 40 1HD LYS 40 8.047 0.006 -20.071 319 2HD LYS 40 2HD LYS 40 7.243 -1.522 -19.771 320 1HE LYS 40 1HE LYS 40 5.297 -0.796 -21.140 321 2HE LYS 40 2HE LYS 40 6.040 0.771 -21.396 322 1HZ LYS 40 1HZ LYS 40 7.203 -1.793 -22.241 323 2HZ LYS 40 2HZ LYS 40 6.438 -0.736 -23.222 324 3HZ LYS 40 3HZ LYS 40 7.850 -0.318 -22.516 325 H THR 41 H THR 41 3.725 0.166 -17.103 326 HA THR 41 HA THR 41 2.978 -2.388 -15.877 327 HB THR 41 HB THR 41 0.728 -1.513 -15.981 328 HG1 THR 41 HG1 THR 41 0.591 0.622 -17.276 329 1HG2 THR 41 1HG2 THR 41 2.799 0.106 -14.837 330 2HG2 THR 41 2HG2 THR 41 1.704 1.215 -15.696 331 3HG2 THR 41 3HG2 THR 41 1.065 0.134 -14.435 332 HA PRO 42 HA PRO 42 2.836 -4.691 -19.537 333 1HB PRO 42 1HB PRO 42 0.515 -6.150 -19.135 334 2HB PRO 42 2HB PRO 42 2.041 -6.433 -18.236 335 1HG PRO 42 1HG PRO 42 -0.462 -4.818 -16.895 336 2HG PRO 42 2HG PRO 42 0.706 -6.173 -16.760 337 1HD PRO 42 1HD PRO 42 1.127 -3.415 -16.050 338 2HD PRO 42 2HD PRO 42 2.382 -4.684 -16.180 339 H SER 43 H SER 43 0.537 -2.224 -18.765 340 HA SER 43 HA SER 43 -0.775 -2.631 -21.329 341 1HB SER 43 1HB SER 43 -2.663 -1.665 -20.446 342 2HB SER 43 2HB SER 43 -1.950 -2.198 -18.937 343 HG SER 43 HG SER 43 -1.532 -0.158 -18.359 344 H GLY 44 H GLY 44 1.985 -1.648 -21.101 345 1HA GLY 44 1HA GLY 44 2.180 0.288 -22.924 346 2HA GLY 44 2HA GLY 44 3.303 0.139 -21.587 347 H LYS 45 H LYS 45 2.851 1.350 -19.552 348 HA LYS 45 HA LYS 45 2.233 3.993 -20.044 349 1HB LYS 45 1HB LYS 45 -0.059 3.452 -20.383 350 2HB LYS 45 2HB LYS 45 -0.105 2.396 -18.986 351 1HG LYS 45 1HG LYS 45 -0.756 4.154 -17.713 352 2HG LYS 45 2HG LYS 45 0.799 4.909 -17.999 353 1HD LYS 45 1HD LYS 45 -0.249 6.537 -19.176 354 2HD LYS 45 2HD LYS 45 -0.680 5.345 -20.386 355 1HE LYS 45 1HE LYS 45 -2.741 4.769 -19.058 356 2HE LYS 45 2HE LYS 45 -2.317 6.005 -17.890 357 1HZ LYS 45 1HZ LYS 45 -2.608 6.633 -20.735 358 2HZ LYS 45 2HZ LYS 45 -3.888 6.643 -19.720 359 3HZ LYS 45 3HZ LYS 45 -2.636 7.661 -19.466 360 H GLU 46 H GLU 46 4.278 3.933 -18.902 361 HA GLU 46 HA GLU 46 4.835 2.781 -16.576 362 1HB GLU 46 1HB GLU 46 6.430 4.604 -16.163 363 2HB GLU 46 2HB GLU 46 6.398 4.209 -17.871 364 1HG GLU 46 1HG GLU 46 5.719 6.306 -18.421 365 2HG GLU 46 2HG GLU 46 4.376 6.231 -17.298 366 H ALA 47 H ALA 47 4.803 3.465 -14.283 367 HA ALA 47 HA ALA 47 3.132 5.624 -13.494 368 1HB ALA 47 1HB ALA 47 1.876 3.091 -14.050 369 2HB ALA 47 2HB ALA 47 1.141 4.589 -13.430 370 3HB ALA 47 3HB ALA 47 1.816 3.394 -12.297 371 H ALA 48 H ALA 48 2.597 5.048 -10.903 372 HA ALA 48 HA ALA 48 4.697 3.562 -9.674 373 1HB ALA 48 1HB ALA 48 4.894 6.385 -8.826 374 2HB ALA 48 2HB ALA 48 6.178 5.194 -9.142 375 3HB ALA 48 3HB ALA 48 5.442 6.089 -10.493 376 H CYS 49 H CYS 49 4.417 3.511 -7.303 377 HA CYS 49 HA CYS 49 1.680 3.560 -6.643 378 1HB CYS 49 1HB CYS 49 4.109 3.217 -4.871 379 2HB CYS 49 2HB CYS 49 2.451 2.922 -4.386 380 H ALA 50 H ALA 50 4.048 5.992 -6.921 381 HA ALA 50 HA ALA 50 2.717 7.651 -4.893 382 1HB ALA 50 1HB ALA 50 4.954 7.659 -4.283 383 2HB ALA 50 2HB ALA 50 4.915 9.052 -5.389 384 3HB ALA 50 3HB ALA 50 5.524 7.480 -5.960 385 H SER 51 H SER 51 2.231 6.854 -7.958 386 HA SER 51 HA SER 51 2.484 9.358 -9.245 387 1HB SER 51 1HB SER 51 1.933 8.194 -11.133 388 2HB SER 51 2HB SER 51 2.230 6.792 -10.125 389 HG SER 51 HG SER 51 0.081 7.022 -11.381 390 H CYS 52 H CYS 52 -0.127 7.508 -7.598 391 HA CYS 52 HA CYS 52 -1.884 9.814 -8.003 392 1HB CYS 52 1HB CYS 52 -2.674 6.982 -7.251 393 2HB CYS 52 2HB CYS 52 -3.760 8.314 -7.594 394 H HIS 53 H HIS 53 -0.296 7.623 -5.790 395 HA HIS 53 HA HIS 53 -1.522 8.912 -3.405 396 1HB HIS 53 1HB HIS 53 0.399 6.529 -3.624 397 2HB HIS 53 2HB HIS 53 -0.505 7.080 -2.148 398 HD1 HIS 53 HD1 HIS 53 -3.271 7.202 -2.888 399 HD2 HIS 53 HD2 HIS 53 -0.789 4.284 -4.560 400 HE1 HIS 53 HE1 HIS 53 -4.823 5.297 -3.665 401 H THR 54 H THR 54 0.660 10.004 -5.452 402 HA THR 54 HA THR 54 2.547 11.195 -5.363 403 HB THR 54 HB THR 54 2.592 12.798 -3.413 404 HG1 THR 54 HG1 THR 54 1.891 11.533 -1.675 405 1HG2 THR 54 1HG2 THR 54 0.627 12.687 -5.328 406 2HG2 THR 54 2HG2 THR 54 -0.352 12.460 -3.859 407 3HG2 THR 54 3HG2 THR 54 0.658 13.915 -4.040 408 H ASN 55 H ASN 55 4.637 11.720 -4.031 409 HA ASN 55 HA ASN 55 5.907 9.319 -3.676 410 1HB ASN 55 1HB ASN 55 7.687 10.788 -2.490 411 2HB ASN 55 2HB ASN 55 7.257 11.257 -4.123 412 1HD2 ASN 55 2HD2 ASN 55 6.249 13.148 -4.524 413 2HD2 ASN 55 1HD2 ASN 55 5.896 14.358 -3.335 414 H ASN 56 H ASN 56 3.778 11.118 -1.589 415 HA ASN 56 HA ASN 56 4.564 9.395 0.622 416 1HB ASN 56 1HB ASN 56 4.554 12.302 0.525 417 2HB ASN 56 2HB ASN 56 3.319 11.783 1.655 418 1HD2 ASN 56 2HD2 ASN 56 6.708 11.800 0.869 419 2HD2 ASN 56 1HD2 ASN 56 7.328 11.283 2.401 420 HA PRO 57 HA PRO 57 0.230 8.363 0.197 421 1HB PRO 57 1HB PRO 57 0.076 6.610 2.276 422 2HB PRO 57 2HB PRO 57 1.021 6.241 0.797 423 1HG PRO 57 1HG PRO 57 2.267 7.271 3.450 424 2HG PRO 57 2HG PRO 57 2.565 5.913 2.316 425 1HD PRO 57 1HD PRO 57 3.810 8.427 2.182 426 2HD PRO 57 2HD PRO 57 3.584 7.347 0.773 427 H ALA 58 H ALA 58 1.606 9.093 3.512 428 HA ALA 58 HA ALA 58 -0.782 9.744 4.711 429 1HB ALA 58 1HB ALA 58 2.019 10.866 5.115 430 2HB ALA 58 2HB ALA 58 0.667 11.093 6.250 431 3HB ALA 58 3HB ALA 58 1.302 9.460 5.936 432 H ASN 59 H ASN 59 0.932 11.357 2.142 433 HA ASN 59 HA ASN 59 -0.206 13.906 2.720 434 1HB ASN 59 1HB ASN 59 2.033 13.242 1.401 435 2HB ASN 59 2HB ASN 59 0.957 13.147 0.021 436 1HD2 ASN 59 2HD2 ASN 59 3.127 14.984 0.530 437 2HD2 ASN 59 1HD2 ASN 59 2.484 16.592 0.499 438 H VAL 60 H VAL 60 -1.263 14.955 0.474 439 HA VAL 60 HA VAL 60 -3.638 13.401 0.060 440 HB VAL 60 HB VAL 60 -2.667 16.118 -0.809 441 1HG1 VAL 60 1HG1 VAL 60 -4.033 15.112 -2.629 442 2HG1 VAL 60 2HG1 VAL 60 -5.364 14.888 -1.469 443 3HG1 VAL 60 3HG1 VAL 60 -4.805 16.528 -1.876 444 1HG2 VAL 60 1HG2 VAL 60 -3.714 15.311 1.566 445 2HG2 VAL 60 2HG2 VAL 60 -3.890 16.953 0.902 446 3HG2 VAL 60 3HG2 VAL 60 -5.197 15.763 0.692 447 H GLY 61 H GLY 61 -4.464 12.764 -2.060 448 1HA GLY 61 1HA GLY 61 -3.416 11.087 -3.589 449 2HA GLY 61 2HA GLY 61 -2.312 12.366 -4.051 450 H LYS 62 H LYS 62 -3.648 11.327 -6.128 451 HA LYS 62 HA LYS 62 -6.210 12.285 -6.617 452 1HB LYS 62 1HB LYS 62 -5.723 14.506 -6.684 453 2HB LYS 62 2HB LYS 62 -4.034 14.253 -7.074 454 1HG LYS 62 1HG LYS 62 -4.649 13.630 -9.408 455 2HG LYS 62 2HG LYS 62 -6.347 13.830 -9.026 456 1HD LYS 62 1HD LYS 62 -5.557 15.859 -10.133 457 2HD LYS 62 2HD LYS 62 -5.924 16.242 -8.463 458 1HE LYS 62 1HE LYS 62 -3.167 15.360 -8.612 459 2HE LYS 62 2HE LYS 62 -3.425 16.577 -9.847 460 1HZ LYS 62 1HZ LYS 62 -4.504 17.084 -7.204 461 2HZ LYS 62 2HZ LYS 62 -2.890 17.228 -7.409 462 3HZ LYS 62 3HZ LYS 62 -3.911 18.137 -8.303 463 H ASN 63 H ASN 63 -6.986 11.197 -8.380 464 HA ASN 63 HA ASN 63 -5.144 9.463 -9.664 465 1HB ASN 63 1HB ASN 63 -8.100 9.816 -9.497 466 2HB ASN 63 2HB ASN 63 -7.554 9.220 -11.051 467 1HD2 ASN 63 2HD2 ASN 63 -8.747 7.312 -10.440 468 2HD2 ASN 63 1HD2 ASN 63 -8.004 6.085 -9.469 469 H ILE 64 H ILE 64 -4.392 9.637 -11.838 470 HA ILE 64 HA ILE 64 -4.848 12.213 -13.086 471 HB ILE 64 HB ILE 64 -2.947 11.759 -14.381 472 1HG1 ILE 64 1HG1 ILE 64 -3.347 8.864 -13.616 473 2HG1 ILE 64 2HG1 ILE 64 -3.351 9.575 -15.217 474 1HG2 ILE 64 1HG2 ILE 64 -2.809 11.934 -11.707 475 2HG2 ILE 64 2HG2 ILE 64 -1.998 10.367 -11.936 476 3HG2 ILE 64 3HG2 ILE 64 -1.375 11.819 -12.755 477 1HD1 ILE 64 1HD1 ILE 64 -0.848 10.301 -14.080 478 2HD1 ILE 64 2HD1 ILE 64 -1.099 8.588 -13.667 479 3HD1 ILE 64 3HD1 ILE 64 -1.142 9.109 -15.368 480 H VAL 65 H VAL 65 -6.771 9.699 -12.898 481 HA VAL 65 HA VAL 65 -7.139 9.247 -15.748 482 HB VAL 65 HB VAL 65 -8.321 8.042 -13.246 483 1HG1 VAL 65 1HG1 VAL 65 -9.500 8.180 -15.863 484 2HG1 VAL 65 2HG1 VAL 65 -9.032 6.497 -15.521 485 3HG1 VAL 65 3HG1 VAL 65 -10.106 7.367 -14.400 486 1HG2 VAL 65 1HG2 VAL 65 -5.944 7.516 -14.529 487 2HG2 VAL 65 2HG2 VAL 65 -6.828 6.377 -13.484 488 3HG2 VAL 65 3HG2 VAL 65 -7.038 6.312 -15.251 489 H THR 66 H THR 66 -9.049 10.346 -12.857 490 HA THR 66 HA THR 66 -10.870 11.690 -14.730 491 HB THR 66 HB THR 66 -12.420 11.650 -12.756 492 HG1 THR 66 HG1 THR 66 -11.529 10.533 -10.857 493 1HG2 THR 66 1HG2 THR 66 -11.990 9.512 -14.292 494 2HG2 THR 66 2HG2 THR 66 -11.189 8.878 -12.835 495 3HG2 THR 66 3HG2 THR 66 -12.908 9.336 -12.778 496 H GLY 67 H GLY 67 -8.517 12.186 -12.124 497 1HA GLY 67 1HA GLY 67 -8.490 15.018 -12.751 498 2HA GLY 67 2HA GLY 67 -7.378 14.133 -11.726 499 H LYS 68 H LYS 68 -9.197 12.842 -9.940 500 HA LYS 68 HA LYS 68 -10.759 15.016 -8.796 501 1HB LYS 68 1HB LYS 68 -11.098 12.206 -9.016 502 2HB LYS 68 2HB LYS 68 -10.898 12.554 -7.310 503 1HG LYS 68 1HG LYS 68 -12.579 14.616 -8.090 504 2HG LYS 68 2HG LYS 68 -13.105 13.325 -9.152 505 1HD LYS 68 1HD LYS 68 -12.746 12.158 -6.555 506 2HD LYS 68 2HD LYS 68 -13.616 13.660 -6.314 507 1HE LYS 68 1HE LYS 68 -15.475 12.955 -7.538 508 2HE LYS 68 2HE LYS 68 -14.530 11.920 -8.591 509 1HZ LYS 68 1HZ LYS 68 -14.166 10.701 -6.297 510 2HZ LYS 68 2HZ LYS 68 -15.634 11.348 -5.995 511 3HZ LYS 68 3HZ LYS 68 -15.426 10.362 -7.279 512 H GLU 69 H GLU 69 -10.658 14.368 -6.078 513 HA GLU 69 HA GLU 69 -7.829 14.813 -5.515 514 1HB GLU 69 1HB GLU 69 -10.137 15.999 -3.923 515 2HB GLU 69 2HB GLU 69 -8.436 16.393 -3.781 516 1HG GLU 69 1HG GLU 69 -10.034 16.831 -6.344 517 2HG GLU 69 2HG GLU 69 -9.849 18.065 -5.112 518 H ILE 70 H ILE 70 -7.204 12.782 -4.794 519 HA ILE 70 HA ILE 70 -8.977 11.294 -3.076 520 HB ILE 70 HB ILE 70 -6.230 10.744 -4.197 521 1HG1 ILE 70 1HG1 ILE 70 -8.399 10.808 -5.658 522 2HG1 ILE 70 2HG1 ILE 70 -7.238 9.509 -5.850 523 1HG2 ILE 70 1HG2 ILE 70 -6.667 9.681 -1.945 524 2HG2 ILE 70 2HG2 ILE 70 -7.987 8.775 -2.723 525 3HG2 ILE 70 3HG2 ILE 70 -6.311 8.561 -3.282 526 1HD1 ILE 70 1HD1 ILE 70 -9.594 9.265 -3.940 527 2HD1 ILE 70 2HD1 ILE 70 -9.721 8.829 -5.661 528 3HD1 ILE 70 3HD1 ILE 70 -8.578 7.963 -4.605 529 HA PRO 71 HA PRO 71 -7.329 12.945 0.646 530 1HB PRO 71 1HB PRO 71 -8.557 11.204 2.372 531 2HB PRO 71 2HB PRO 71 -9.464 12.440 1.440 532 1HG PRO 71 1HG PRO 71 -9.217 9.460 0.824 533 2HG PRO 71 2HG PRO 71 -10.554 10.656 0.834 534 1HD PRO 71 1HD PRO 71 -9.021 9.863 -1.425 535 2HD PRO 71 2HD PRO 71 -9.997 11.359 -1.313 536 HA PRO 72 HA PRO 72 -3.753 10.843 2.057 537 1HB PRO 72 1HB PRO 72 -4.483 10.169 4.734 538 2HB PRO 72 2HB PRO 72 -3.715 11.690 4.171 539 1HG PRO 72 1HG PRO 72 -6.567 11.062 4.604 540 2HG PRO 72 2HG PRO 72 -5.937 12.664 5.106 541 1HD PRO 72 1HD PRO 72 -7.254 12.621 2.850 542 2HD PRO 72 2HD PRO 72 -5.587 13.262 2.734 543 H LEU 73 H LEU 73 -3.082 8.731 1.629 544 HA LEU 73 HA LEU 73 -5.151 6.708 1.654 545 1HB LEU 73 1HB LEU 73 -3.798 6.915 -0.315 546 2HB LEU 73 2HB LEU 73 -2.319 6.774 0.614 547 HG LEU 73 HG LEU 73 -3.357 4.426 1.292 548 1HD1 LEU 73 1HD1 LEU 73 -4.686 5.015 -1.366 549 2HD1 LEU 73 2HD1 LEU 73 -4.565 3.407 -0.612 550 3HD1 LEU 73 3HD1 LEU 73 -5.489 4.700 0.191 551 1HD2 LEU 73 1HD2 LEU 73 -1.431 5.345 -0.560 552 2HD2 LEU 73 2HD2 LEU 73 -1.552 3.741 0.203 553 3HD2 LEU 73 3HD2 LEU 73 -2.339 4.043 -1.365 554 H ALA 74 H ALA 74 -2.350 7.775 3.522 555 HA ALA 74 HA ALA 74 -1.426 5.635 4.789 556 1HB ALA 74 1HB ALA 74 -0.616 7.748 5.448 557 2HB ALA 74 2HB ALA 74 -2.244 8.358 5.830 558 3HB ALA 74 3HB ALA 74 -1.469 7.160 6.895 559 HA PRO 75 HA PRO 75 -5.123 3.690 6.338 560 1HB PRO 75 1HB PRO 75 -3.944 1.270 6.843 561 2HB PRO 75 2HB PRO 75 -4.304 1.837 5.180 562 1HG PRO 75 1HG PRO 75 -1.447 1.824 6.510 563 2HG PRO 75 2HG PRO 75 -2.351 1.458 5.004 564 1HD PRO 75 1HD PRO 75 -1.085 3.962 5.822 565 2HD PRO 75 2HD PRO 75 -2.014 3.641 4.327 566 H ARG 76 H ARG 76 -3.897 5.601 8.062 567 HA ARG 76 HA ARG 76 -4.264 4.221 10.510 568 1HB ARG 76 1HB ARG 76 -1.826 3.811 10.082 569 2HB ARG 76 2HB ARG 76 -1.559 5.537 9.939 570 1HG ARG 76 1HG ARG 76 -1.692 5.893 12.215 571 2HG ARG 76 2HG ARG 76 -2.955 4.700 12.439 572 1HD ARG 76 1HD ARG 76 -0.134 3.814 11.738 573 2HD ARG 76 2HD ARG 76 -0.545 4.212 13.395 574 HE ARG 76 HE ARG 76 -2.557 2.452 12.394 575 1HH1 ARG 76 1HH1 ARG 76 -2.550 0.230 12.928 576 2HH1 ARG 76 2HH1 ARG 76 -1.089 -0.525 13.468 577 1HH2 ARG 76 1HH2 ARG 76 0.857 2.403 13.245 578 2HH2 ARG 76 2HH2 ARG 76 0.862 0.719 13.650 579 H VAL 77 H VAL 77 -2.745 7.225 9.106 580 HA VAL 77 HA VAL 77 -3.335 9.017 11.024 581 HB VAL 77 HB VAL 77 -3.378 9.222 8.020 582 1HG1 VAL 77 1HG1 VAL 77 -4.375 11.167 9.932 583 2HG1 VAL 77 2HG1 VAL 77 -2.974 11.804 9.038 584 3HG1 VAL 77 3HG1 VAL 77 -4.398 11.205 8.153 585 1HG2 VAL 77 1HG2 VAL 77 -1.314 8.973 9.873 586 2HG2 VAL 77 2HG2 VAL 77 -1.166 9.520 8.186 587 3HG2 VAL 77 3HG2 VAL 77 -1.347 10.712 9.495 588 H ASN 78 H ASN 78 -5.582 7.686 8.541 589 HA ASN 78 HA ASN 78 -7.718 8.992 10.038 590 1HB ASN 78 1HB ASN 78 -8.936 8.405 7.675 591 2HB ASN 78 2HB ASN 78 -8.083 9.914 7.938 592 1HD2 ASN 78 2HD2 ASN 78 -8.009 9.738 5.548 593 2HD2 ASN 78 1HD2 ASN 78 -6.658 8.940 4.814 594 H THR 79 H THR 79 -8.832 7.449 11.245 595 HA THR 79 HA THR 79 -8.487 4.699 10.920 596 HB THR 79 HB THR 79 -10.517 4.676 12.504 597 HG1 THR 79 HG1 THR 79 -11.638 6.557 12.013 598 1HG2 THR 79 1HG2 THR 79 -7.997 5.239 13.188 599 2HG2 THR 79 2HG2 THR 79 -8.639 6.887 13.387 600 3HG2 THR 79 3HG2 THR 79 -9.316 5.547 14.343 601 H LYS 80 H LYS 80 -10.332 6.934 9.050 602 HA LYS 80 HA LYS 80 -12.451 5.238 8.327 603 1HB LYS 80 1HB LYS 80 -11.217 7.736 7.203 604 2HB LYS 80 2HB LYS 80 -12.395 6.854 6.251 605 1HG LYS 80 1HG LYS 80 -12.988 7.512 9.153 606 2HG LYS 80 2HG LYS 80 -13.211 8.736 7.919 607 1HD LYS 80 1HD LYS 80 -15.285 7.825 7.641 608 2HD LYS 80 2HD LYS 80 -14.463 6.563 6.746 609 1HE LYS 80 1HE LYS 80 -14.493 5.055 8.566 610 2HE LYS 80 2HE LYS 80 -14.637 6.331 9.759 611 1HZ LYS 80 1HZ LYS 80 -16.872 6.759 8.792 612 2HZ LYS 80 2HZ LYS 80 -16.719 5.384 7.924 613 3HZ LYS 80 3HZ LYS 80 -16.724 5.323 9.556 614 H ARG 81 H ARG 81 -9.048 5.268 7.559 615 HA ARG 81 HA ARG 81 -9.383 3.918 5.087 616 1HB ARG 81 1HB ARG 81 -6.921 4.334 6.857 617 2HB ARG 81 2HB ARG 81 -6.864 3.646 5.247 618 1HG ARG 81 1HG ARG 81 -8.034 6.402 5.842 619 2HG ARG 81 2HG ARG 81 -6.361 6.150 5.383 620 1HD ARG 81 1HD ARG 81 -6.934 5.403 3.197 621 2HD ARG 81 2HD ARG 81 -8.576 5.001 3.656 622 HE ARG 81 HE ARG 81 -7.680 7.551 2.703 623 1HH1 ARG 81 1HH1 ARG 81 -9.074 9.362 2.749 624 2HH1 ARG 81 2HH1 ARG 81 -10.449 9.369 3.802 625 1HH2 ARG 81 1HH2 ARG 81 -9.819 6.168 5.130 626 2HH2 ARG 81 2HH2 ARG 81 -10.876 7.540 5.165 627 H PHE 82 H PHE 82 -8.401 1.680 4.708 628 HA PHE 82 HA PHE 82 -8.584 -0.493 5.110 629 1HB PHE 82 1HB PHE 82 -7.098 0.730 7.474 630 2HB PHE 82 2HB PHE 82 -7.412 -0.994 7.501 631 HD1 PHE 82 HD1 PHE 82 -4.823 -0.944 7.635 632 HD2 PHE 82 HD2 PHE 82 -7.017 0.145 4.170 633 HE1 PHE 82 HE1 PHE 82 -2.786 -1.337 6.221 634 HE2 PHE 82 HE2 PHE 82 -4.981 -0.248 2.756 635 HZ PHE 82 HZ PHE 82 -2.889 -0.984 3.799 636 H THR 83 H THR 83 -11.063 0.340 5.443 637 HA THR 83 HA THR 83 -12.021 -0.131 8.121 638 HB THR 83 HB THR 83 -13.516 0.259 5.476 639 HG1 THR 83 HG1 THR 83 -13.403 2.520 6.259 640 1HG2 THR 83 1HG2 THR 83 -14.870 -0.483 7.529 641 2HG2 THR 83 2HG2 THR 83 -14.298 0.993 8.342 642 3HG2 THR 83 3HG2 THR 83 -15.314 1.116 6.885 643 H ASP 84 H ASP 84 -12.715 -1.713 4.925 644 HA ASP 84 HA ASP 84 -13.552 -4.029 6.401 645 1HB ASP 84 1HB ASP 84 -13.338 -3.851 3.380 646 2HB ASP 84 2HB ASP 84 -14.453 -4.811 4.332 647 H ILE 85 H ILE 85 -11.771 -5.253 7.122 648 HA ILE 85 HA ILE 85 -9.341 -5.339 5.654 649 HB ILE 85 HB ILE 85 -9.759 -5.536 8.182 650 1HG1 ILE 85 1HG1 ILE 85 -7.848 -7.594 7.090 651 2HG1 ILE 85 2HG1 ILE 85 -7.595 -5.887 6.784 652 1HG2 ILE 85 1HG2 ILE 85 -11.397 -7.439 7.902 653 2HG2 ILE 85 2HG2 ILE 85 -10.001 -8.477 7.523 654 3HG2 ILE 85 3HG2 ILE 85 -10.116 -7.686 9.113 655 1HD1 ILE 85 1HD1 ILE 85 -8.241 -6.192 9.579 656 2HD1 ILE 85 2HD1 ILE 85 -6.972 -7.368 9.161 657 3HD1 ILE 85 3HD1 ILE 85 -6.715 -5.634 8.851 658 H ASP 86 H ASP 86 -12.349 -6.693 5.057 659 HA ASP 86 HA ASP 86 -11.339 -9.228 4.181 660 1HB ASP 86 1HB ASP 86 -13.791 -9.387 3.286 661 2HB ASP 86 2HB ASP 86 -13.532 -9.411 5.019 662 H LYS 87 H LYS 87 -12.478 -6.061 2.911 663 HA LYS 87 HA LYS 87 -12.232 -6.956 0.172 664 1HB LYS 87 1HB LYS 87 -13.104 -4.364 1.466 665 2HB LYS 87 2HB LYS 87 -12.897 -4.529 -0.266 666 1HG LYS 87 1HG LYS 87 -14.775 -5.838 -0.507 667 2HG LYS 87 2HG LYS 87 -14.484 -6.718 0.979 668 1HD LYS 87 1HD LYS 87 -15.555 -5.096 2.319 669 2HD LYS 87 2HD LYS 87 -15.299 -3.811 1.155 670 1HE LYS 87 1HE LYS 87 -17.113 -4.465 -0.186 671 2HE LYS 87 2HE LYS 87 -17.021 -6.142 0.314 672 1HZ LYS 87 1HZ LYS 87 -17.572 -4.438 2.498 673 2HZ LYS 87 2HZ LYS 87 -18.689 -4.261 1.320 674 3HZ LYS 87 3HZ LYS 87 -18.407 -5.736 1.964 675 H VAL 88 H VAL 88 -10.759 -4.389 2.285 676 HA VAL 88 HA VAL 88 -8.885 -3.410 0.648 677 HB VAL 88 HB VAL 88 -9.422 -3.381 3.349 678 1HG1 VAL 88 1HG1 VAL 88 -7.793 -5.315 3.567 679 2HG1 VAL 88 2HG1 VAL 88 -6.511 -4.181 3.078 680 3HG1 VAL 88 3HG1 VAL 88 -7.439 -3.886 4.568 681 1HG2 VAL 88 1HG2 VAL 88 -7.315 -2.046 1.646 682 2HG2 VAL 88 2HG2 VAL 88 -8.847 -1.384 2.264 683 3HG2 VAL 88 3HG2 VAL 88 -7.488 -1.668 3.377 684 H GLU 89 H GLU 89 -9.014 -6.684 2.005 685 HA GLU 89 HA GLU 89 -6.324 -7.280 1.426 686 1HB GLU 89 1HB GLU 89 -8.774 -8.847 2.218 687 2HB GLU 89 2HB GLU 89 -7.398 -9.730 1.586 688 1HG GLU 89 1HG GLU 89 -5.921 -8.669 3.301 689 2HG GLU 89 2HG GLU 89 -7.288 -7.768 3.927 690 H ASP 90 H ASP 90 -9.477 -8.150 -0.167 691 HA ASP 90 HA ASP 90 -8.281 -9.456 -2.296 692 1HB ASP 90 1HB ASP 90 -10.610 -9.837 -1.887 693 2HB ASP 90 2HB ASP 90 -10.976 -8.123 -1.868 694 H GLU 91 H GLU 91 -9.608 -6.093 -1.880 695 HA GLU 91 HA GLU 91 -9.265 -5.152 -4.380 696 1HB GLU 91 1HB GLU 91 -9.051 -3.862 -1.655 697 2HB GLU 91 2HB GLU 91 -8.721 -2.901 -3.083 698 1HG GLU 91 1HG GLU 91 -11.206 -4.575 -3.177 699 2HG GLU 91 2HG GLU 91 -11.226 -3.240 -2.042 700 H PHE 92 H PHE 92 -6.793 -5.431 -1.764 701 HA PHE 92 HA PHE 92 -4.745 -4.077 -3.022 702 1HB PHE 92 1HB PHE 92 -5.248 -5.898 -0.798 703 2HB PHE 92 2HB PHE 92 -3.791 -6.439 -1.608 704 HD1 PHE 92 HD1 PHE 92 -2.469 -3.999 -2.417 705 HD2 PHE 92 HD2 PHE 92 -4.632 -4.812 1.142 706 HE1 PHE 92 HE1 PHE 92 -1.145 -2.241 -1.210 707 HE2 PHE 92 HE2 PHE 92 -3.308 -3.054 2.349 708 HZ PHE 92 HZ PHE 92 -1.580 -1.790 1.158 709 H THR 93 H THR 93 -6.116 -7.277 -3.656 710 HA THR 93 HA THR 93 -3.815 -8.063 -5.252 711 HB THR 93 HB THR 93 -6.328 -9.334 -4.153 712 HG1 THR 93 HG1 THR 93 -3.462 -9.861 -4.478 713 1HG2 THR 93 1HG2 THR 93 -4.622 -10.452 -6.440 714 2HG2 THR 93 2HG2 THR 93 -5.814 -11.383 -5.503 715 3HG2 THR 93 3HG2 THR 93 -6.351 -10.044 -6.546 716 H LYS 94 H LYS 94 -7.170 -6.888 -5.642 717 HA LYS 94 HA LYS 94 -7.160 -7.346 -8.455 718 1HB LYS 94 1HB LYS 94 -9.006 -5.484 -6.957 719 2HB LYS 94 2HB LYS 94 -9.313 -6.369 -8.438 720 1HG LYS 94 1HG LYS 94 -8.582 -8.341 -6.517 721 2HG LYS 94 2HG LYS 94 -9.654 -7.243 -5.672 722 1HD LYS 94 1HD LYS 94 -11.475 -7.984 -6.820 723 2HD LYS 94 2HD LYS 94 -10.667 -7.806 -8.365 724 1HE LYS 94 1HE LYS 94 -9.854 -10.005 -8.361 725 2HE LYS 94 2HE LYS 94 -9.819 -10.108 -6.612 726 1HZ LYS 94 1HZ LYS 94 -12.286 -10.018 -8.206 727 2HZ LYS 94 2HZ LYS 94 -11.612 -11.385 -7.619 728 3HZ LYS 94 3HZ LYS 94 -12.185 -10.252 -6.593 729 H HIS 95 H HIS 95 -6.037 -4.927 -6.275 730 HA HIS 95 HA HIS 95 -5.957 -2.704 -8.134 731 1HB HIS 95 1HB HIS 95 -6.008 -2.707 -5.555 732 2HB HIS 95 2HB HIS 95 -4.234 -3.088 -5.637 733 HD1 HIS 95 HD1 HIS 95 -5.275 -0.808 -8.257 734 HD2 HIS 95 HD2 HIS 95 -4.055 -0.484 -4.272 735 HE1 HIS 95 HE1 HIS 95 -4.610 1.658 -7.906 736 H CYS 96 H CYS 96 -3.350 -4.792 -6.748 737 HA CYS 96 HA CYS 96 -1.271 -3.898 -8.413 738 1HB CYS 96 1HB CYS 96 -1.842 -6.372 -6.807 739 2HB CYS 96 2HB CYS 96 -0.470 -6.394 -7.942 740 H ASN 97 H ASN 97 -4.069 -5.934 -9.150 741 HA ASN 97 HA ASN 97 -2.773 -7.097 -11.409 742 1HB ASN 97 1HB ASN 97 -5.332 -7.388 -9.963 743 2HB ASN 97 2HB ASN 97 -5.570 -7.424 -11.699 744 1HD2 ASN 97 2HD2 ASN 97 -5.032 -9.269 -9.073 745 2HD2 ASN 97 1HD2 ASN 97 -4.265 -10.658 -9.768 746 H ASP 98 H ASP 98 -4.274 -4.110 -10.590 747 HA ASP 98 HA ASP 98 -4.885 -3.620 -13.399 748 1HB ASP 98 1HB ASP 98 -6.544 -3.324 -11.150 749 2HB ASP 98 2HB ASP 98 -5.983 -1.691 -11.448 750 H ILE 99 H ILE 99 -2.501 -3.267 -11.201 751 HA ILE 99 HA ILE 99 -1.881 -0.522 -12.043 752 HB ILE 99 HB ILE 99 -1.344 -1.859 -9.391 753 1HG1 ILE 99 1HG1 ILE 99 -3.629 -1.022 -9.648 754 2HG1 ILE 99 2HG1 ILE 99 -2.733 -0.092 -8.463 755 1HG2 ILE 99 1HG2 ILE 99 0.545 -0.416 -10.382 756 2HG2 ILE 99 2HG2 ILE 99 -0.547 0.960 -10.094 757 3HG2 ILE 99 3HG2 ILE 99 -0.019 -0.058 -8.732 758 1HD1 ILE 99 1HD1 ILE 99 -2.295 1.137 -11.029 759 2HD1 ILE 99 2HD1 ILE 99 -4.042 0.854 -10.841 760 3HD1 ILE 99 3HD1 ILE 99 -3.158 1.802 -9.621 761 H LEU 100 H LEU 100 -0.572 -3.733 -10.997 762 HA LEU 100 HA LEU 100 1.866 -3.099 -12.481 763 1HB LEU 100 1HB LEU 100 1.197 -5.120 -10.351 764 2HB LEU 100 2HB LEU 100 2.657 -5.230 -11.314 765 HG LEU 100 HG LEU 100 1.891 -2.918 -9.509 766 1HD1 LEU 100 1HD1 LEU 100 2.851 -5.375 -8.756 767 2HD1 LEU 100 2HD1 LEU 100 4.345 -4.423 -8.931 768 3HD1 LEU 100 3HD1 LEU 100 3.052 -3.859 -7.845 769 1HD2 LEU 100 1HD2 LEU 100 3.829 -3.119 -11.671 770 2HD2 LEU 100 2HD2 LEU 100 3.278 -1.699 -10.749 771 3HD2 LEU 100 3HD2 LEU 100 4.596 -2.715 -10.116 772 H GLY 101 H GLY 101 -1.003 -5.196 -12.387 773 1HA GLY 101 1HA GLY 101 -0.186 -6.267 -15.012 774 2HA GLY 101 2HA GLY 101 -1.831 -6.038 -14.456 775 H ALA 102 H ALA 102 -0.658 -7.059 -11.656 776 HA ALA 102 HA ALA 102 -1.584 -9.710 -12.003 777 1HB ALA 102 1HB ALA 102 1.098 -9.335 -12.718 778 2HB ALA 102 2HB ALA 102 1.171 -9.961 -11.053 779 3HB ALA 102 3HB ALA 102 0.315 -10.882 -12.313 780 H ASP 103 H ASP 103 -0.522 -10.930 -9.752 781 HA ASP 103 HA ASP 103 -1.573 -9.160 -7.731 782 1HB ASP 103 1HB ASP 103 -2.091 -11.759 -8.188 783 2HB ASP 103 2HB ASP 103 -0.676 -11.991 -7.181 784 H CYS 104 H CYS 104 -0.193 -8.095 -6.411 785 HA CYS 104 HA CYS 104 2.629 -8.291 -6.581 786 1HB CYS 104 1HB CYS 104 0.730 -7.056 -4.559 787 2HB CYS 104 2HB CYS 104 2.501 -6.920 -4.417 788 H SER 105 H SER 105 4.153 -8.901 -4.734 789 HA SER 105 HA SER 105 3.415 -11.495 -3.863 790 1HB SER 105 1HB SER 105 5.685 -11.678 -3.090 791 2HB SER 105 2HB SER 105 5.739 -10.790 -4.600 792 HG SER 105 HG SER 105 6.657 -10.017 -2.174 793 HA PRO 106 HA PRO 106 1.681 -10.595 0.071 794 1HB PRO 106 1HB PRO 106 2.649 -12.810 1.466 795 2HB PRO 106 2HB PRO 106 1.286 -12.854 0.301 796 1HG PRO 106 1HG PRO 106 4.226 -13.647 -0.290 797 2HG PRO 106 2HG PRO 106 2.648 -14.432 -0.624 798 1HD PRO 106 1HD PRO 106 3.937 -12.841 -2.465 799 2HD PRO 106 2HD PRO 106 2.152 -12.866 -2.330 800 H SER 107 H SER 107 5.134 -10.821 -0.556 801 HA SER 107 HA SER 107 5.803 -10.128 2.138 802 1HB SER 107 1HB SER 107 8.111 -10.189 1.371 803 2HB SER 107 2HB SER 107 7.271 -11.581 0.718 804 HG SER 107 HG SER 107 8.540 -9.548 -0.618 805 H GLU 108 H GLU 108 5.671 -8.596 -1.131 806 HA GLU 108 HA GLU 108 6.709 -6.147 -0.251 807 1HB GLU 108 1HB GLU 108 4.920 -6.631 -2.670 808 2HB GLU 108 2HB GLU 108 6.056 -5.314 -2.449 809 1HG GLU 108 1HG GLU 108 7.278 -8.004 -2.135 810 2HG GLU 108 2HG GLU 108 6.618 -7.716 -3.733 811 H LYS 109 H LYS 109 3.779 -7.699 0.434 812 HA LYS 109 HA LYS 109 2.194 -5.274 0.481 813 1HB LYS 109 1HB LYS 109 1.313 -7.528 -0.264 814 2HB LYS 109 2HB LYS 109 1.430 -8.056 1.402 815 1HG LYS 109 1HG LYS 109 -0.708 -7.242 1.559 816 2HG LYS 109 2HG LYS 109 0.092 -5.696 1.768 817 1HD LYS 109 1HD LYS 109 -1.565 -5.382 0.043 818 2HD LYS 109 2HD LYS 109 -0.006 -5.379 -0.758 819 1HE LYS 109 1HE LYS 109 -0.437 -7.979 -1.044 820 2HE LYS 109 2HE LYS 109 -2.111 -7.563 -0.734 821 1HZ LYS 109 1HZ LYS 109 -1.010 -5.770 -2.581 822 2HZ LYS 109 2HZ LYS 109 -0.755 -7.298 -3.096 823 3HZ LYS 109 3HZ LYS 109 -2.272 -6.788 -2.772 824 H ALA 110 H ALA 110 3.012 -7.864 2.903 825 HA ALA 110 HA ALA 110 2.289 -6.462 5.134 826 1HB ALA 110 1HB ALA 110 4.015 -8.757 4.453 827 2HB ALA 110 2HB ALA 110 2.817 -8.575 5.756 828 3HB ALA 110 3HB ALA 110 4.466 -7.941 5.969 829 H ASN 111 H ASN 111 4.960 -5.900 2.944 830 HA ASN 111 HA ASN 111 6.569 -4.549 4.829 831 1HB ASN 111 1HB ASN 111 7.148 -5.615 2.450 832 2HB ASN 111 2HB ASN 111 6.685 -4.041 1.834 833 1HD2 ASN 111 2HD2 ASN 111 7.607 -2.168 3.234 834 2HD2 ASN 111 1HD2 ASN 111 9.305 -2.243 3.570 835 H PHE 112 H PHE 112 4.467 -3.564 2.015 836 HA PHE 112 HA PHE 112 4.734 -0.834 2.310 837 1HB PHE 112 1HB PHE 112 3.680 -2.149 0.405 838 2HB PHE 112 2HB PHE 112 2.338 -2.567 1.452 839 HD1 PHE 112 HD1 PHE 112 0.412 -1.421 0.966 840 HD2 PHE 112 HD2 PHE 112 4.121 0.596 0.539 841 HE1 PHE 112 HE1 PHE 112 -0.800 0.654 0.241 842 HE2 PHE 112 HE2 PHE 112 2.909 2.671 -0.186 843 HZ PHE 112 HZ PHE 112 0.463 2.675 -0.326 844 H ILE 113 H ILE 113 2.353 -3.117 3.796 845 HA ILE 113 HA ILE 113 0.749 -1.207 4.996 846 HB ILE 113 HB ILE 113 1.366 -4.086 5.470 847 1HG1 ILE 113 1HG1 ILE 113 -1.418 -3.342 5.288 848 2HG1 ILE 113 2HG1 ILE 113 -0.521 -2.599 3.978 849 1HG2 ILE 113 1HG2 ILE 113 -0.020 -2.254 7.409 850 2HG2 ILE 113 2HG2 ILE 113 -0.512 -3.958 7.255 851 3HG2 ILE 113 3HG2 ILE 113 1.159 -3.552 7.716 852 1HD1 ILE 113 1HD1 ILE 113 0.562 -4.913 3.588 853 2HD1 ILE 113 2HD1 ILE 113 -0.687 -5.554 4.682 854 3HD1 ILE 113 3HD1 ILE 113 -1.159 -4.756 3.163 855 H ALA 114 H ALA 114 3.827 -2.730 6.076 856 HA ALA 114 HA ALA 114 3.838 -1.712 8.657 857 1HB ALA 114 1HB ALA 114 5.354 -3.463 7.891 858 2HB ALA 114 2HB ALA 114 6.304 -2.080 8.486 859 3HB ALA 114 3HB ALA 114 6.114 -2.343 6.736 860 H TYR 115 H TYR 115 5.979 -0.524 6.058 861 HA TYR 115 HA TYR 115 6.740 1.876 7.042 862 1HB TYR 115 1HB TYR 115 6.710 0.652 4.547 863 2HB TYR 115 2HB TYR 115 5.825 2.162 4.272 864 HD1 TYR 115 HD1 TYR 115 6.944 4.349 5.120 865 HD2 TYR 115 HD2 TYR 115 9.045 0.646 4.553 866 HE1 TYR 115 HE1 TYR 115 9.090 5.585 5.001 867 HE2 TYR 115 HE2 TYR 115 11.192 1.882 4.434 868 HH TYR 115 HH TYR 115 11.347 5.446 4.676 869 H LEU 116 H LEU 116 3.508 1.211 5.516 870 HA LEU 116 HA LEU 116 2.648 3.866 5.600 871 1HB LEU 116 1HB LEU 116 1.566 1.242 5.028 872 2HB LEU 116 2HB LEU 116 0.405 2.221 5.902 873 HG LEU 116 HG LEU 116 0.501 3.957 4.214 874 1HD1 LEU 116 1HD1 LEU 116 2.990 3.454 3.709 875 2HD1 LEU 116 2HD1 LEU 116 2.349 2.299 2.515 876 3HD1 LEU 116 3HD1 LEU 116 1.939 4.027 2.392 877 1HD2 LEU 116 1HD2 LEU 116 -0.693 1.533 3.918 878 2HD2 LEU 116 2HD2 LEU 116 -0.921 2.915 2.821 879 3HD2 LEU 116 3HD2 LEU 116 0.247 1.636 2.410 880 H LEU 117 H LEU 117 1.862 1.123 7.859 881 HA LEU 117 HA LEU 117 0.532 2.622 9.728 882 1HB LEU 117 1HB LEU 117 2.273 0.182 10.109 883 2HB LEU 117 2HB LEU 117 1.164 0.815 11.309 884 HG LEU 117 HG LEU 117 0.278 -0.077 8.557 885 1HD1 LEU 117 1HD1 LEU 117 0.996 -1.672 10.921 886 2HD1 LEU 117 2HD1 LEU 117 -0.621 -2.018 10.260 887 3HD1 LEU 117 3HD1 LEU 117 0.815 -2.149 9.215 888 1HD2 LEU 117 1HD2 LEU 117 -1.052 1.460 10.376 889 2HD2 LEU 117 2HD2 LEU 117 -1.825 0.407 9.167 890 3HD2 LEU 117 3HD2 LEU 117 -1.589 -0.175 10.833 891 H THR 118 H THR 118 4.029 2.301 9.119 892 HA THR 118 HA THR 118 4.801 3.542 11.569 893 HB THR 118 HB THR 118 6.013 2.359 9.148 894 HG1 THR 118 HG1 THR 118 7.660 2.123 11.017 895 1HG2 THR 118 1HG2 THR 118 7.273 4.808 10.482 896 2HG2 THR 118 2HG2 THR 118 8.217 3.589 9.593 897 3HG2 THR 118 3HG2 THR 118 6.993 4.560 8.741 898 H GLU 119 H GLU 119 4.819 4.714 8.131 899 HA GLU 119 HA GLU 119 5.333 7.343 8.981 900 1HB GLU 119 1HB GLU 119 5.292 7.906 6.680 901 2HB GLU 119 2HB GLU 119 5.860 6.248 6.701 902 1HG GLU 119 1HG GLU 119 3.237 5.701 6.508 903 2HG GLU 119 2HG GLU 119 3.170 7.324 5.851 904 H THR 120 H THR 120 3.931 8.893 9.705 905 HA THR 120 HA THR 120 1.161 8.802 8.839 906 HB THR 120 HB THR 120 0.313 8.726 11.158 907 HG1 THR 120 HG1 THR 120 1.820 9.253 12.689 908 1HG2 THR 120 1HG2 THR 120 2.457 6.565 10.807 909 2HG2 THR 120 2HG2 THR 120 1.041 6.477 11.882 910 3HG2 THR 120 3HG2 THR 120 0.819 6.476 10.116 911 H LYS 121 H LYS 121 2.978 10.585 7.920 912 HA LYS 121 HA LYS 121 1.837 13.007 8.675 913 1HB LYS 121 1HB LYS 121 3.681 14.108 9.833 914 2HB LYS 121 2HB LYS 121 3.071 12.755 10.764 915 1HG LYS 121 1HG LYS 121 5.038 11.533 9.230 916 2HG LYS 121 2HG LYS 121 5.729 13.123 9.483 917 1HD LYS 121 1HD LYS 121 4.626 12.315 12.000 918 2HD LYS 121 2HD LYS 121 5.485 10.924 11.370 919 1HE LYS 121 1HE LYS 121 6.726 13.710 11.444 920 2HE LYS 121 2HE LYS 121 6.869 12.584 12.779 921 1HZ LYS 121 1HZ LYS 121 7.609 11.795 10.062 922 2HZ LYS 121 2HZ LYS 121 8.666 12.572 11.035 923 3HZ LYS 121 3HZ LYS 121 8.068 11.117 11.475 924 HA PRO 122 HA PRO 122 3.051 13.763 4.555 925 1HB PRO 122 1HB PRO 122 3.314 16.592 5.619 926 2HB PRO 122 2HB PRO 122 2.444 15.960 4.184 927 1HG PRO 122 1HG PRO 122 0.987 16.552 6.489 928 2HG PRO 122 2HG PRO 122 0.857 15.277 5.234 929 1HD PRO 122 1HD PRO 122 1.965 15.138 8.080 930 2HD PRO 122 2HD PRO 122 0.911 13.972 7.226 931 H THR 123 H THR 123 4.969 14.865 3.350 932 HA THR 123 HA THR 123 7.328 14.804 5.116 933 HB THR 123 HB THR 123 6.827 13.725 2.305 934 HG1 THR 123 HG1 THR 123 6.473 12.236 4.013 935 1HG2 THR 123 1HG2 THR 123 9.401 14.536 3.664 936 2HG2 THR 123 2HG2 THR 123 9.376 12.989 2.785 937 3HG2 THR 123 3HG2 THR 123 9.009 14.505 1.928 938 H LYS 124 H LYS 124 6.321 15.995 1.835 939 HA LYS 124 HA LYS 124 7.850 18.419 2.460 940 1HB LYS 124 1HB LYS 124 7.521 16.771 0.038 941 2HB LYS 124 2HB LYS 124 7.358 18.492 -0.244 942 1HG LYS 124 1HG LYS 124 9.590 18.817 0.004 943 2HG LYS 124 2HG LYS 124 9.587 18.026 1.568 944 1HD LYS 124 1HD LYS 124 10.088 15.912 0.664 945 2HD LYS 124 2HD LYS 124 9.399 16.297 -0.901 946 1HE LYS 124 1HE LYS 124 11.728 17.990 -0.101 947 2HE LYS 124 2HE LYS 124 12.100 16.297 -0.359 948 1HZ LYS 124 1HZ LYS 124 10.497 17.754 -2.315 949 2HZ LYS 124 2HZ LYS 124 12.126 17.871 -2.335 950 3HZ LYS 124 3HZ LYS 124 11.410 16.417 -2.532 No H/Q in entry = 950 Start of MODEL 19 1 H1 ASP 1 H1 ASP 1 -5.125 -0.331 11.029 2 H2 ASP 1 H2 ASP 1 -6.587 0.261 10.527 3 H3 ASP 1 H3 ASP 1 -5.198 1.100 10.198 4 HA ASP 1 HA ASP 1 -5.718 2.286 11.866 5 1HB ASP 1 1HB ASP 1 -7.064 1.070 13.859 6 2HB ASP 1 2HB ASP 1 -7.876 1.702 12.441 7 H VAL 2 H VAL 2 -5.798 -0.901 13.602 8 HA VAL 2 HA VAL 2 -3.022 -0.832 14.240 9 HB VAL 2 HB VAL 2 -5.070 0.080 16.247 10 1HG1 VAL 2 1HG1 VAL 2 -3.867 -1.822 17.250 11 2HG1 VAL 2 2HG1 VAL 2 -2.316 -1.034 16.879 12 3HG1 VAL 2 3HG1 VAL 2 -3.441 -0.284 18.037 13 1HG2 VAL 2 1HG2 VAL 2 -2.524 1.158 15.079 14 2HG2 VAL 2 2HG2 VAL 2 -4.087 1.966 15.349 15 3HG2 VAL 2 3HG2 VAL 2 -3.002 1.643 16.723 16 H THR 3 H THR 3 -6.125 -1.921 15.801 17 HA THR 3 HA THR 3 -5.165 -4.470 16.416 18 HB THR 3 HB THR 3 -8.084 -3.846 15.855 19 HG1 THR 3 HG1 THR 3 -6.213 -2.840 17.875 20 1HG2 THR 3 1HG2 THR 3 -6.519 -5.255 18.076 21 2HG2 THR 3 2HG2 THR 3 -8.256 -4.884 18.188 22 3HG2 THR 3 3HG2 THR 3 -7.663 -6.001 16.935 23 H ASN 4 H ASN 4 -6.565 -3.135 13.431 24 HA ASN 4 HA ASN 4 -6.769 -5.782 12.336 25 1HB ASN 4 1HB ASN 4 -7.418 -2.979 11.337 26 2HB ASN 4 2HB ASN 4 -7.385 -4.323 10.214 27 1HD2 ASN 4 2HD2 ASN 4 -8.263 -4.618 13.596 28 2HD2 ASN 4 1HD2 ASN 4 -9.945 -4.971 13.381 29 H ALA 5 H ALA 5 -5.123 -2.614 11.572 30 HA ALA 5 HA ALA 5 -3.552 -3.383 9.500 31 1HB ALA 5 1HB ALA 5 -2.512 -1.374 9.845 32 2HB ALA 5 2HB ALA 5 -2.264 -1.679 11.581 33 3HB ALA 5 3HB ALA 5 -3.855 -1.141 10.990 34 H GLU 6 H GLU 6 -3.057 -3.978 13.012 35 HA GLU 6 HA GLU 6 -0.474 -4.978 12.733 36 1HB GLU 6 1HB GLU 6 -1.212 -4.281 14.907 37 2HB GLU 6 2HB GLU 6 -2.627 -5.313 14.850 38 1HG GLU 6 1HG GLU 6 -0.841 -6.269 16.307 39 2HG GLU 6 2HG GLU 6 -1.230 -7.334 14.970 40 H LYS 7 H LYS 7 -3.730 -6.458 12.499 41 HA LYS 7 HA LYS 7 -2.910 -9.125 12.569 42 1HB LYS 7 1HB LYS 7 -5.247 -8.208 12.833 43 2HB LYS 7 2HB LYS 7 -5.296 -7.978 11.097 44 1HG LYS 7 1HG LYS 7 -6.142 -10.116 11.108 45 2HG LYS 7 2HG LYS 7 -4.449 -10.565 11.153 46 1HD LYS 7 1HD LYS 7 -4.581 -11.341 13.303 47 2HD LYS 7 2HD LYS 7 -5.541 -9.976 13.838 48 1HE LYS 7 1HE LYS 7 -7.409 -11.259 13.791 49 2HE LYS 7 2HE LYS 7 -7.204 -11.508 12.069 50 1HZ LYS 7 1HZ LYS 7 -5.686 -13.321 12.601 51 2HZ LYS 7 2HZ LYS 7 -5.966 -13.113 14.197 52 3HZ LYS 7 3HZ LYS 7 -7.178 -13.584 13.209 53 H LEU 8 H LEU 8 -3.527 -6.903 9.764 54 HA LEU 8 HA LEU 8 -2.924 -8.649 7.754 55 1HB LEU 8 1HB LEU 8 -2.433 -5.681 7.987 56 2HB LEU 8 2HB LEU 8 -2.227 -6.581 6.497 57 HG LEU 8 HG LEU 8 -4.722 -5.800 7.929 58 1HD1 LEU 8 1HD1 LEU 8 -3.484 -5.425 5.333 59 2HD1 LEU 8 2HD1 LEU 8 -5.155 -6.017 5.179 60 3HD1 LEU 8 3HD1 LEU 8 -4.818 -4.535 6.105 61 1HD2 LEU 8 1HD2 LEU 8 -4.526 -8.313 6.247 62 2HD2 LEU 8 2HD2 LEU 8 -4.921 -8.217 7.979 63 3HD2 LEU 8 3HD2 LEU 8 -6.037 -7.534 6.773 64 H VAL 9 H VAL 9 -0.640 -6.516 9.595 65 HA VAL 9 HA VAL 9 1.657 -7.267 8.264 66 HB VAL 9 HB VAL 9 1.231 -6.486 11.155 67 1HG1 VAL 9 1HG1 VAL 9 3.690 -7.008 9.555 68 2HG1 VAL 9 2HG1 VAL 9 3.699 -5.575 10.610 69 3HG1 VAL 9 3HG1 VAL 9 3.395 -7.186 11.301 70 1HG2 VAL 9 1HG2 VAL 9 0.817 -5.024 8.783 71 2HG2 VAL 9 2HG2 VAL 9 0.893 -4.397 10.447 72 3HG2 VAL 9 3HG2 VAL 9 2.364 -4.444 9.446 73 H TYR 10 H TYR 10 0.175 -8.633 11.222 74 HA TYR 10 HA TYR 10 2.076 -10.794 11.414 75 1HB TYR 10 1HB TYR 10 0.594 -9.684 13.234 76 2HB TYR 10 2HB TYR 10 -0.685 -10.753 12.633 77 HD1 TYR 10 HD1 TYR 10 -0.566 -13.167 12.953 78 HD2 TYR 10 HD2 TYR 10 2.536 -10.577 14.408 79 HE1 TYR 10 HE1 TYR 10 0.313 -15.011 14.360 80 HE2 TYR 10 HE2 TYR 10 3.415 -12.421 15.815 81 HH TYR 10 HH TYR 10 3.193 -15.256 15.587 82 H LYS 11 H LYS 11 -0.242 -10.200 9.067 83 HA LYS 11 HA LYS 11 -0.941 -13.042 8.880 84 1HB LYS 11 1HB LYS 11 -2.280 -10.512 7.963 85 2HB LYS 11 2HB LYS 11 -2.594 -12.013 7.116 86 1HG LYS 11 1HG LYS 11 -2.860 -11.708 10.142 87 2HG LYS 11 2HG LYS 11 -4.200 -11.498 9.032 88 1HD LYS 11 1HD LYS 11 -3.315 -13.913 8.153 89 2HD LYS 11 2HD LYS 11 -2.750 -14.012 9.808 90 1HE LYS 11 1HE LYS 11 -5.325 -13.024 10.156 91 2HE LYS 11 2HE LYS 11 -5.530 -14.060 8.757 92 1HZ LYS 11 1HZ LYS 11 -3.970 -15.485 10.471 93 2HZ LYS 11 2HZ LYS 11 -5.084 -14.786 11.440 94 3HZ LYS 11 3HZ LYS 11 -5.562 -15.718 10.187 95 H TYR 12 H TYR 12 -0.518 -10.374 6.536 96 HA TYR 12 HA TYR 12 0.388 -11.893 4.398 97 1HB TYR 12 1HB TYR 12 1.135 -9.073 5.235 98 2HB TYR 12 2HB TYR 12 1.491 -9.769 3.645 99 HD1 TYR 12 HD1 TYR 12 -0.419 -10.472 2.151 100 HD2 TYR 12 HD2 TYR 12 -1.006 -8.187 5.741 101 HE1 TYR 12 HE1 TYR 12 -2.664 -9.787 1.348 102 HE2 TYR 12 HE2 TYR 12 -3.250 -7.503 4.938 103 HH TYR 12 HH TYR 12 -4.990 -8.186 3.352 104 H THR 13 H THR 13 2.117 -11.019 7.377 105 HA THR 13 HA THR 13 4.710 -11.497 6.258 106 HB THR 13 HB THR 13 3.650 -11.268 9.124 107 HG1 THR 13 HG1 THR 13 5.121 -9.492 7.309 108 1HG2 THR 13 1HG2 THR 13 6.434 -11.475 7.935 109 2HG2 THR 13 2HG2 THR 13 6.165 -10.415 9.339 110 3HG2 THR 13 3HG2 THR 13 5.819 -12.156 9.459 111 H ASN 14 H ASN 14 2.404 -13.381 8.306 112 HA ASN 14 HA ASN 14 4.043 -15.536 8.684 113 1HB ASN 14 1HB ASN 14 1.756 -15.082 9.747 114 2HB ASN 14 2HB ASN 14 1.012 -15.625 8.257 115 1HD2 ASN 14 2HD2 ASN 14 0.581 -16.796 10.748 116 2HD2 ASN 14 1HD2 ASN 14 1.190 -18.418 10.750 117 H ILE 15 H ILE 15 1.492 -14.933 6.150 118 HA ILE 15 HA ILE 15 1.758 -17.284 4.753 119 HB ILE 15 HB ILE 15 0.859 -14.517 4.099 120 1HG1 ILE 15 1HG1 ILE 15 -0.787 -16.926 3.568 121 2HG1 ILE 15 2HG1 ILE 15 -0.373 -16.647 5.248 122 1HG2 ILE 15 1HG2 ILE 15 1.681 -16.569 2.116 123 2HG2 ILE 15 2HG2 ILE 15 0.122 -15.757 1.838 124 3HG2 ILE 15 3HG2 ILE 15 1.612 -14.795 1.983 125 1HD1 ILE 15 1HD1 ILE 15 -1.138 -14.201 4.881 126 2HD1 ILE 15 2HD1 ILE 15 -1.846 -14.778 3.354 127 3HD1 ILE 15 3HD1 ILE 15 -2.409 -15.446 4.904 128 H ALA 16 H ALA 16 3.576 -14.176 4.361 129 HA ALA 16 HA ALA 16 5.115 -15.012 2.198 130 1HB ALA 16 1HB ALA 16 4.752 -12.672 3.290 131 2HB ALA 16 2HB ALA 16 6.105 -13.133 4.352 132 3HB ALA 16 3HB ALA 16 6.345 -13.047 2.590 133 H HIS 17 H HIS 17 5.551 -15.363 5.757 134 HA HIS 17 HA HIS 17 8.143 -16.437 5.551 135 1HB HIS 17 1HB HIS 17 6.929 -15.369 7.565 136 2HB HIS 17 2HB HIS 17 6.212 -16.949 7.813 137 HD1 HIS 17 HD1 HIS 17 9.836 -16.060 6.908 138 HD2 HIS 17 HD2 HIS 17 7.627 -17.991 9.906 139 HE1 HIS 17 HE1 HIS 17 11.541 -17.039 8.535 140 H SER 18 H SER 18 4.858 -17.763 5.287 141 HA SER 18 HA SER 18 5.568 -20.424 5.707 142 1HB SER 18 1HB SER 18 3.243 -19.645 5.834 143 2HB SER 18 2HB SER 18 3.265 -19.177 4.146 144 HG SER 18 HG SER 18 3.485 -21.396 3.541 145 H ALA 19 H ALA 19 5.963 -18.206 3.011 146 HA ALA 19 HA ALA 19 6.375 -20.381 1.124 147 1HB ALA 19 1HB ALA 19 5.719 -17.518 1.032 148 2HB ALA 19 2HB ALA 19 6.985 -17.975 -0.133 149 3HB ALA 19 3HB ALA 19 5.407 -18.798 -0.164 150 H ASN 20 H ASN 20 8.126 -17.884 3.002 151 HA ASN 20 HA ASN 20 10.568 -19.242 2.201 152 1HB ASN 20 1HB ASN 20 10.398 -17.065 0.961 153 2HB ASN 20 2HB ASN 20 10.194 -16.212 2.479 154 1HD2 ASN 20 2HD2 ASN 20 12.325 -18.870 1.438 155 2HD2 ASN 20 1HD2 ASN 20 13.831 -18.118 1.848 156 HA PRO 21 HA PRO 21 10.741 -19.134 6.699 157 1HB PRO 21 1HB PRO 21 12.692 -21.007 6.985 158 2HB PRO 21 2HB PRO 21 11.049 -21.442 6.411 159 1HG PRO 21 1HG PRO 21 13.518 -20.866 4.903 160 2HG PRO 21 2HG PRO 21 12.457 -22.272 4.564 161 1HD PRO 21 1HD PRO 21 12.384 -19.963 3.068 162 2HD PRO 21 2HD PRO 21 10.903 -20.910 3.406 163 H MET 22 H MET 22 11.988 -16.954 5.168 164 HA MET 22 HA MET 22 14.265 -16.608 6.908 165 1HB MET 22 1HB MET 22 14.484 -15.908 3.945 166 2HB MET 22 2HB MET 22 15.784 -16.049 5.111 167 1HG MET 22 1HG MET 22 14.962 -18.575 5.303 168 2HG MET 22 2HG MET 22 14.220 -18.257 3.747 169 1HE MET 22 1HE MET 22 16.483 -19.867 5.275 170 2HE MET 22 2HE MET 22 17.381 -20.400 3.834 171 3HE MET 22 3HE MET 22 18.154 -19.312 5.011 172 H TYR 23 H TYR 23 11.655 -15.557 7.014 173 HA TYR 23 HA TYR 23 12.266 -12.685 6.764 174 1HB TYR 23 1HB TYR 23 11.148 -13.323 4.648 175 2HB TYR 23 2HB TYR 23 9.786 -13.973 5.575 176 HD1 TYR 23 HD1 TYR 23 7.919 -12.627 5.739 177 HD2 TYR 23 HD2 TYR 23 11.786 -10.788 5.400 178 HE1 TYR 23 HE1 TYR 23 6.855 -10.387 5.747 179 HE2 TYR 23 HE2 TYR 23 10.722 -8.548 5.407 180 HH TYR 23 HH TYR 23 8.100 -7.688 4.711 181 H GLU 24 H GLU 24 11.821 -11.796 8.758 182 HA GLU 24 HA GLU 24 9.886 -13.244 10.365 183 1HB GLU 24 1HB GLU 24 12.088 -11.265 11.063 184 2HB GLU 24 2HB GLU 24 10.884 -11.765 12.234 185 1HG GLU 24 1HG GLU 24 12.089 -14.049 10.786 186 2HG GLU 24 2HG GLU 24 13.273 -13.107 11.670 187 H ALA 25 H ALA 25 10.761 -9.933 9.205 188 HA ALA 25 HA ALA 25 8.041 -9.201 8.993 189 1HB ALA 25 1HB ALA 25 9.152 -7.306 10.903 190 2HB ALA 25 2HB ALA 25 9.115 -8.949 11.586 191 3HB ALA 25 3HB ALA 25 7.619 -8.209 10.967 192 HA PRO 26 HA PRO 26 9.708 -6.062 6.429 193 1HB PRO 26 1HB PRO 26 8.190 -3.876 7.757 194 2HB PRO 26 2HB PRO 26 7.971 -4.626 6.143 195 1HG PRO 26 1HG PRO 26 6.109 -5.102 8.174 196 2HG PRO 26 2HG PRO 26 6.486 -6.317 6.908 197 1HD PRO 26 1HD PRO 26 7.647 -5.980 9.722 198 2HD PRO 26 2HD PRO 26 7.087 -7.475 8.912 199 H SER 27 H SER 27 10.674 -3.600 6.508 200 HA SER 27 HA SER 27 12.061 -3.323 9.045 201 1HB SER 27 1HB SER 27 13.283 -4.325 6.725 202 2HB SER 27 2HB SER 27 13.747 -2.635 6.731 203 HG SER 27 HG SER 27 15.227 -3.222 8.157 204 H ILE 28 H ILE 28 9.745 -1.974 7.580 205 HA ILE 28 HA ILE 28 9.118 0.044 6.819 206 HB ILE 28 HB ILE 28 9.689 1.835 8.528 207 1HG1 ILE 28 1HG1 ILE 28 10.938 -0.470 10.040 208 2HG1 ILE 28 2HG1 ILE 28 11.881 0.724 9.171 209 1HG2 ILE 28 1HG2 ILE 28 7.936 -0.351 8.577 210 2HG2 ILE 28 2HG2 ILE 28 8.624 -0.257 10.215 211 3HG2 ILE 28 3HG2 ILE 28 7.814 1.161 9.508 212 1HD1 ILE 28 1HD1 ILE 28 9.806 1.485 11.270 213 2HD1 ILE 28 2HD1 ILE 28 11.523 1.211 11.652 214 3HD1 ILE 28 3HD1 ILE 28 11.056 2.529 10.551 215 H THR 29 H THR 29 11.216 -0.801 5.225 216 HA THR 29 HA THR 29 12.240 1.712 4.344 217 HB THR 29 HB THR 29 14.049 -0.306 5.747 218 HG1 THR 29 HG1 THR 29 13.522 1.422 7.089 219 1HG2 THR 29 1HG2 THR 29 14.678 1.725 3.582 220 2HG2 THR 29 2HG2 THR 29 15.829 1.494 4.920 221 3HG2 THR 29 3HG2 THR 29 15.411 0.127 3.859 222 H ASP 30 H ASP 30 10.493 -0.402 3.365 223 HA ASP 30 HA ASP 30 12.127 -1.119 1.067 224 1HB ASP 30 1HB ASP 30 11.543 -3.057 2.720 225 2HB ASP 30 2HB ASP 30 9.896 -2.885 2.149 226 H GLY 31 H GLY 31 8.822 -0.753 2.527 227 1HA GLY 31 1HA GLY 31 6.932 0.170 1.728 228 2HA GLY 31 2HA GLY 31 7.239 -0.783 0.290 229 H LYS 32 H LYS 32 9.313 1.875 1.567 230 HA LYS 32 HA LYS 32 8.322 3.957 0.082 231 1HB LYS 32 1HB LYS 32 10.724 3.342 1.594 232 2HB LYS 32 2HB LYS 32 11.105 4.323 0.193 233 1HG LYS 32 1HG LYS 32 8.887 4.976 2.191 234 2HG LYS 32 2HG LYS 32 10.496 5.669 2.248 235 1HD LYS 32 1HD LYS 32 9.892 6.223 -0.349 236 2HD LYS 32 2HD LYS 32 8.267 6.191 0.304 237 1HE LYS 32 1HE LYS 32 8.550 8.185 1.369 238 2HE LYS 32 2HE LYS 32 10.068 7.675 2.082 239 1HZ LYS 32 1HZ LYS 32 10.745 8.007 -0.468 240 2HZ LYS 32 2HZ LYS 32 9.608 9.169 -0.311 241 3HZ LYS 32 3HZ LYS 32 10.908 9.159 0.678 242 H ILE 33 H ILE 33 11.300 2.076 -0.817 243 HA ILE 33 HA ILE 33 11.491 2.998 -3.375 244 HB ILE 33 HB ILE 33 12.268 0.403 -2.077 245 1HG1 ILE 33 1HG1 ILE 33 14.115 2.503 -3.181 246 2HG1 ILE 33 2HG1 ILE 33 13.327 2.762 -1.637 247 1HG2 ILE 33 1HG2 ILE 33 12.056 0.899 -4.915 248 2HG2 ILE 33 2HG2 ILE 33 13.755 0.654 -4.444 249 3HG2 ILE 33 3HG2 ILE 33 12.535 -0.580 -4.049 250 1HD1 ILE 33 1HD1 ILE 33 14.586 0.072 -2.043 251 2HD1 ILE 33 2HD1 ILE 33 15.689 1.458 -1.867 252 3HD1 ILE 33 3HD1 ILE 33 14.515 1.084 -0.581 253 H PHE 34 H PHE 34 9.828 -0.060 -2.319 254 HA PHE 34 HA PHE 34 8.832 -0.750 -4.779 255 1HB PHE 34 1HB PHE 34 8.685 -2.240 -2.856 256 2HB PHE 34 2HB PHE 34 7.900 -1.017 -1.876 257 HD1 PHE 34 HD1 PHE 34 5.683 -1.398 -1.423 258 HD2 PHE 34 HD2 PHE 34 7.246 -2.745 -5.131 259 HE1 PHE 34 HE1 PHE 34 3.442 -2.359 -2.018 260 HE2 PHE 34 HE2 PHE 34 5.004 -3.705 -5.727 261 HZ PHE 34 HZ PHE 34 3.130 -3.501 -4.163 262 H PHE 35 H PHE 35 7.942 1.932 -2.721 263 HA PHE 35 HA PHE 35 5.454 2.262 -4.235 264 1HB PHE 35 1HB PHE 35 5.280 2.195 -1.742 265 2HB PHE 35 2HB PHE 35 6.558 3.385 -1.593 266 HD1 PHE 35 HD1 PHE 35 3.125 2.949 -2.962 267 HD2 PHE 35 HD2 PHE 35 6.029 5.650 -1.451 268 HE1 PHE 35 HE1 PHE 35 1.415 4.786 -2.958 269 HE2 PHE 35 HE2 PHE 35 4.318 7.486 -1.447 270 HZ PHE 35 HZ PHE 35 2.031 7.032 -2.201 271 H ASN 36 H ASN 36 8.606 3.063 -4.553 272 HA ASN 36 HA ASN 36 7.884 5.604 -5.734 273 1HB ASN 36 1HB ASN 36 9.999 5.113 -3.627 274 2HB ASN 36 2HB ASN 36 10.363 6.276 -4.885 275 1HD2 ASN 36 2HD2 ASN 36 7.773 5.339 -2.636 276 2HD2 ASN 36 1HD2 ASN 36 7.238 6.937 -2.234 277 H ARG 37 H ARG 37 8.473 2.752 -6.627 278 HA ARG 37 HA ARG 37 10.972 3.229 -8.030 279 1HB ARG 37 1HB ARG 37 10.601 1.105 -6.576 280 2HB ARG 37 2HB ARG 37 9.485 0.572 -7.818 281 1HG ARG 37 1HG ARG 37 11.449 -0.409 -8.598 282 2HG ARG 37 2HG ARG 37 11.511 1.113 -9.463 283 1HD ARG 37 1HD ARG 37 12.857 0.672 -6.756 284 2HD ARG 37 2HD ARG 37 13.681 0.452 -8.286 285 HE ARG 37 HE ARG 37 13.006 2.991 -7.034 286 1HH1 ARG 37 1HH1 ARG 37 13.600 4.925 -8.096 287 2HH1 ARG 37 2HH1 ARG 37 14.031 4.894 -9.774 288 1HH2 ARG 37 1HH2 ARG 37 13.552 1.423 -10.136 289 2HH2 ARG 37 2HH2 ARG 37 14.003 2.888 -10.941 290 H LYS 38 H LYS 38 10.330 4.383 -9.884 291 HA LYS 38 HA LYS 38 7.961 4.146 -11.224 292 1HB LYS 38 1HB LYS 38 9.215 5.974 -11.839 293 2HB LYS 38 2HB LYS 38 10.712 5.070 -11.941 294 1HG LYS 38 1HG LYS 38 10.277 4.300 -14.098 295 2HG LYS 38 2HG LYS 38 8.539 4.300 -13.869 296 1HD LYS 38 1HD LYS 38 9.432 6.105 -15.445 297 2HD LYS 38 2HD LYS 38 8.385 6.682 -14.164 298 1HE LYS 38 1HE LYS 38 10.675 6.979 -12.826 299 2HE LYS 38 2HE LYS 38 11.388 6.963 -14.427 300 1HZ LYS 38 1HZ LYS 38 9.785 8.723 -15.016 301 2HZ LYS 38 2HZ LYS 38 9.319 8.803 -13.453 302 3HZ LYS 38 3HZ LYS 38 10.854 9.174 -13.867 303 H PHE 39 H PHE 39 7.135 2.076 -11.502 304 HA PHE 39 HA PHE 39 8.830 0.183 -12.934 305 1HB PHE 39 1HB PHE 39 6.903 -1.366 -12.251 306 2HB PHE 39 2HB PHE 39 7.705 -0.613 -10.888 307 HD1 PHE 39 HD1 PHE 39 4.720 -0.355 -13.071 308 HD2 PHE 39 HD2 PHE 39 6.503 0.729 -9.376 309 HE1 PHE 39 HE1 PHE 39 2.518 0.549 -12.274 310 HE2 PHE 39 HE2 PHE 39 4.301 1.633 -8.579 311 HZ PHE 39 HZ PHE 39 2.335 1.532 -10.038 312 H LYS 40 H LYS 40 7.669 -1.206 -14.634 313 HA LYS 40 HA LYS 40 6.043 0.596 -16.279 314 1HB LYS 40 1HB LYS 40 8.405 -0.744 -16.867 315 2HB LYS 40 2HB LYS 40 7.179 -1.756 -17.602 316 1HG LYS 40 1HG LYS 40 6.206 0.576 -18.469 317 2HG LYS 40 2HG LYS 40 7.838 1.140 -18.173 318 1HD LYS 40 1HD LYS 40 7.512 -1.441 -19.696 319 2HD LYS 40 2HD LYS 40 7.108 0.047 -20.529 320 1HE LYS 40 1HE LYS 40 9.533 0.691 -19.297 321 2HE LYS 40 2HE LYS 40 9.762 -0.994 -19.721 322 1HZ LYS 40 1HZ LYS 40 8.599 0.745 -21.725 323 2HZ LYS 40 2HZ LYS 40 10.195 0.904 -21.421 324 3HZ LYS 40 3HZ LYS 40 9.597 -0.534 -21.913 325 H THR 41 H THR 41 4.088 -0.132 -17.198 326 HA THR 41 HA THR 41 2.979 -2.463 -15.812 327 HB THR 41 HB THR 41 0.825 -1.400 -16.306 328 HG1 THR 41 HG1 THR 41 1.060 0.658 -17.638 329 1HG2 THR 41 1HG2 THR 41 2.913 0.731 -15.602 330 2HG2 THR 41 2HG2 THR 41 1.153 0.938 -15.428 331 3HG2 THR 41 3HG2 THR 41 2.010 -0.268 -14.437 332 HA PRO 42 HA PRO 42 2.898 -5.046 -19.289 333 1HB PRO 42 1HB PRO 42 0.521 -6.378 -18.888 334 2HB PRO 42 2HB PRO 42 1.961 -6.606 -17.843 335 1HG PRO 42 1HG PRO 42 -0.567 -4.782 -16.854 336 2HG PRO 42 2HG PRO 42 0.549 -6.157 -16.566 337 1HD PRO 42 1HD PRO 42 1.011 -3.333 -16.082 338 2HD PRO 42 2HD PRO 42 2.198 -4.665 -15.934 339 H SER 43 H SER 43 0.791 -2.367 -18.882 340 HA SER 43 HA SER 43 -0.480 -2.953 -21.434 341 1HB SER 43 1HB SER 43 -2.326 -1.773 -20.735 342 2HB SER 43 2HB SER 43 -1.716 -2.223 -19.155 343 HG SER 43 HG SER 43 -2.244 0.093 -19.411 344 H GLY 44 H GLY 44 2.338 -2.109 -21.145 345 1HA GLY 44 1HA GLY 44 2.629 -0.297 -23.148 346 2HA GLY 44 2HA GLY 44 3.796 -0.548 -21.866 347 H LYS 45 H LYS 45 3.626 0.762 -19.862 348 HA LYS 45 HA LYS 45 3.393 3.425 -20.315 349 1HB LYS 45 1HB LYS 45 1.113 3.459 -20.761 350 2HB LYS 45 2HB LYS 45 0.744 2.213 -19.587 351 1HG LYS 45 1HG LYS 45 0.520 3.721 -17.889 352 2HG LYS 45 2HG LYS 45 1.996 4.560 -18.322 353 1HD LYS 45 1HD LYS 45 0.906 6.063 -19.733 354 2HD LYS 45 2HD LYS 45 -0.352 4.922 -20.164 355 1HE LYS 45 1HE LYS 45 -1.611 5.351 -18.219 356 2HE LYS 45 2HE LYS 45 -0.216 5.885 -17.303 357 1HZ LYS 45 1HZ LYS 45 -0.485 7.586 -19.459 358 2HZ LYS 45 2HZ LYS 45 -1.974 7.424 -18.809 359 3HZ LYS 45 3HZ LYS 45 -0.729 7.929 -17.881 360 H GLU 46 H GLU 46 4.932 3.954 -18.862 361 HA GLU 46 HA GLU 46 5.340 2.423 -16.560 362 1HB GLU 46 1HB GLU 46 7.067 4.093 -16.021 363 2HB GLU 46 2HB GLU 46 7.147 3.658 -17.717 364 1HG GLU 46 1HG GLU 46 5.413 6.005 -16.961 365 2HG GLU 46 2HG GLU 46 7.150 6.229 -16.900 366 H ALA 47 H ALA 47 5.206 3.161 -14.280 367 HA ALA 47 HA ALA 47 3.680 5.480 -13.660 368 1HB ALA 47 1HB ALA 47 2.359 2.762 -13.278 369 2HB ALA 47 2HB ALA 47 1.713 4.334 -12.750 370 3HB ALA 47 3HB ALA 47 1.878 3.978 -14.486 371 H ALA 48 H ALA 48 3.031 5.234 -11.133 372 HA ALA 48 HA ALA 48 4.866 3.537 -9.706 373 1HB ALA 48 1HB ALA 48 5.182 6.417 -9.013 374 2HB ALA 48 2HB ALA 48 6.381 5.101 -9.015 375 3HB ALA 48 3HB ALA 48 5.929 5.894 -10.542 376 H CYS 49 H CYS 49 4.352 3.456 -7.417 377 HA CYS 49 HA CYS 49 1.619 3.740 -6.935 378 1HB CYS 49 1HB CYS 49 3.838 3.412 -4.906 379 2HB CYS 49 2HB CYS 49 2.135 3.087 -4.652 380 H ALA 50 H ALA 50 4.231 5.993 -6.977 381 HA ALA 50 HA ALA 50 2.866 7.794 -5.117 382 1HB ALA 50 1HB ALA 50 5.156 7.612 -4.568 383 2HB ALA 50 2HB ALA 50 5.060 9.119 -5.510 384 3HB ALA 50 3HB ALA 50 5.659 7.628 -6.275 385 H SER 51 H SER 51 2.518 6.911 -8.236 386 HA SER 51 HA SER 51 2.762 9.407 -9.526 387 1HB SER 51 1HB SER 51 1.721 8.289 -11.430 388 2HB SER 51 2HB SER 51 2.898 7.211 -10.707 389 HG SER 51 HG SER 51 0.119 6.946 -10.913 390 H CYS 52 H CYS 52 0.251 7.690 -7.691 391 HA CYS 52 HA CYS 52 -1.585 9.891 -8.304 392 1HB CYS 52 1HB CYS 52 -2.319 7.066 -7.467 393 2HB CYS 52 2HB CYS 52 -3.439 8.364 -7.828 394 H HIS 53 H HIS 53 -0.305 7.594 -5.929 395 HA HIS 53 HA HIS 53 -1.476 9.061 -3.648 396 1HB HIS 53 1HB HIS 53 0.394 6.629 -3.712 397 2HB HIS 53 2HB HIS 53 -0.568 7.243 -2.300 398 HD1 HIS 53 HD1 HIS 53 -3.292 7.414 -3.209 399 HD2 HIS 53 HD2 HIS 53 -0.795 4.367 -4.605 400 HE1 HIS 53 HE1 HIS 53 -4.847 5.515 -3.996 401 H THR 54 H THR 54 0.777 10.074 -5.632 402 HA THR 54 HA THR 54 2.690 11.222 -5.511 403 HB THR 54 HB THR 54 2.724 12.835 -3.550 404 HG1 THR 54 HG1 THR 54 1.897 11.503 -1.887 405 1HG2 THR 54 1HG2 THR 54 0.372 12.343 -5.304 406 2HG2 THR 54 2HG2 THR 54 -0.024 13.209 -3.800 407 3HG2 THR 54 3HG2 THR 54 1.190 13.876 -4.918 408 H ASN 55 H ASN 55 4.737 11.748 -4.075 409 HA ASN 55 HA ASN 55 6.008 9.366 -3.720 410 1HB ASN 55 1HB ASN 55 7.691 10.787 -2.363 411 2HB ASN 55 2HB ASN 55 7.337 11.358 -3.981 412 1HD2 ASN 55 2HD2 ASN 55 6.303 13.253 -4.308 413 2HD2 ASN 55 1HD2 ASN 55 5.874 14.377 -3.061 414 H ASN 56 H ASN 56 3.878 11.208 -1.587 415 HA ASN 56 HA ASN 56 4.439 9.271 0.517 416 1HB ASN 56 1HB ASN 56 5.170 11.774 0.913 417 2HB ASN 56 2HB ASN 56 3.456 12.105 1.069 418 1HD2 ASN 56 2HD2 ASN 56 3.501 12.634 3.196 419 2HD2 ASN 56 1HD2 ASN 56 3.800 11.514 4.483 420 HA PRO 57 HA PRO 57 0.085 8.510 -0.229 421 1HB PRO 57 1HB PRO 57 -0.222 6.630 1.761 422 2HB PRO 57 2HB PRO 57 0.646 6.301 0.226 423 1HG PRO 57 1HG PRO 57 1.876 6.981 2.915 424 2HG PRO 57 2HG PRO 57 2.227 5.720 1.689 425 1HD PRO 57 1HD PRO 57 3.581 8.146 1.856 426 2HD PRO 57 2HD PRO 57 3.339 7.270 0.314 427 H ALA 58 H ALA 58 1.410 9.028 3.136 428 HA ALA 58 HA ALA 58 -0.982 9.635 4.354 429 1HB ALA 58 1HB ALA 58 1.640 11.038 4.950 430 2HB ALA 58 2HB ALA 58 1.388 9.315 5.321 431 3HB ALA 58 3HB ALA 58 0.358 10.550 6.085 432 H ASN 59 H ASN 59 0.720 11.331 1.844 433 HA ASN 59 HA ASN 59 -0.387 13.869 2.540 434 1HB ASN 59 1HB ASN 59 1.845 13.224 1.179 435 2HB ASN 59 2HB ASN 59 0.757 13.238 -0.196 436 1HD2 ASN 59 2HD2 ASN 59 2.956 14.991 0.329 437 2HD2 ASN 59 1HD2 ASN 59 2.354 16.612 0.429 438 H VAL 60 H VAL 60 -1.376 14.995 0.260 439 HA VAL 60 HA VAL 60 -3.761 13.439 -0.228 440 HB VAL 60 HB VAL 60 -2.864 16.253 -0.813 441 1HG1 VAL 60 1HG1 VAL 60 -5.135 14.717 -2.022 442 2HG1 VAL 60 2HG1 VAL 60 -5.393 16.425 -1.591 443 3HG1 VAL 60 3HG1 VAL 60 -4.101 15.980 -2.732 444 1HG2 VAL 60 1HG2 VAL 60 -3.789 15.370 1.473 445 2HG2 VAL 60 2HG2 VAL 60 -4.380 16.914 0.812 446 3HG2 VAL 60 3HG2 VAL 60 -5.365 15.440 0.648 447 H GLY 61 H GLY 61 -3.863 11.988 -1.854 448 1HA GLY 61 1HA GLY 61 -3.229 10.861 -3.717 449 2HA GLY 61 2HA GLY 61 -1.869 11.948 -3.918 450 H LYS 62 H LYS 62 -3.364 11.101 -6.145 451 HA LYS 62 HA LYS 62 -5.477 12.781 -6.825 452 1HB LYS 62 1HB LYS 62 -4.182 14.704 -6.824 453 2HB LYS 62 2HB LYS 62 -2.740 13.877 -7.377 454 1HG LYS 62 1HG LYS 62 -4.944 13.654 -9.322 455 2HG LYS 62 2HG LYS 62 -4.547 15.326 -8.976 456 1HD LYS 62 1HD LYS 62 -2.366 13.297 -9.593 457 2HD LYS 62 2HD LYS 62 -3.233 14.107 -10.882 458 1HE LYS 62 1HE LYS 62 -2.600 16.264 -9.299 459 2HE LYS 62 2HE LYS 62 -1.242 15.214 -8.945 460 1HZ LYS 62 1HZ LYS 62 -1.074 14.959 -11.431 461 2HZ LYS 62 2HZ LYS 62 -2.080 16.240 -11.552 462 3HZ LYS 62 3HZ LYS 62 -0.632 16.405 -10.815 463 H ASN 63 H ASN 63 -6.523 11.533 -8.269 464 HA ASN 63 HA ASN 63 -5.187 9.404 -9.499 465 1HB ASN 63 1HB ASN 63 -7.946 10.646 -9.974 466 2HB ASN 63 2HB ASN 63 -7.420 9.167 -10.754 467 1HD2 ASN 63 2HD2 ASN 63 -9.643 9.245 -9.160 468 2HD2 ASN 63 1HD2 ASN 63 -9.394 8.333 -7.708 469 H ILE 64 H ILE 64 -4.142 9.375 -11.510 470 HA ILE 64 HA ILE 64 -4.007 11.835 -12.980 471 HB ILE 64 HB ILE 64 -2.287 10.799 -14.216 472 1HG1 ILE 64 1HG1 ILE 64 -3.033 8.115 -13.026 473 2HG1 ILE 64 2HG1 ILE 64 -3.553 8.652 -14.611 474 1HG2 ILE 64 1HG2 ILE 64 -2.311 10.243 -11.275 475 2HG2 ILE 64 2HG2 ILE 64 -0.954 9.650 -12.262 476 3HG2 ILE 64 3HG2 ILE 64 -1.329 11.389 -12.217 477 1HD1 ILE 64 1HD1 ILE 64 -0.904 9.173 -14.864 478 2HD1 ILE 64 2HD1 ILE 64 -0.822 7.853 -13.674 479 3HD1 ILE 64 3HD1 ILE 64 -1.607 7.584 -15.248 480 H VAL 65 H VAL 65 -6.377 9.571 -12.752 481 HA VAL 65 HA VAL 65 -6.843 9.133 -15.550 482 HB VAL 65 HB VAL 65 -8.481 8.597 -13.066 483 1HG1 VAL 65 1HG1 VAL 65 -9.780 8.890 -15.256 484 2HG1 VAL 65 2HG1 VAL 65 -8.965 7.405 -15.803 485 3HG1 VAL 65 3HG1 VAL 65 -10.018 7.365 -14.368 486 1HG2 VAL 65 1HG2 VAL 65 -6.192 7.303 -14.137 487 2HG2 VAL 65 2HG2 VAL 65 -7.229 6.774 -12.791 488 3HG2 VAL 65 3HG2 VAL 65 -7.587 6.244 -14.452 489 H THR 66 H THR 66 -8.365 11.069 -12.884 490 HA THR 66 HA THR 66 -9.687 12.656 -14.983 491 HB THR 66 HB THR 66 -11.331 13.180 -13.172 492 HG1 THR 66 HG1 THR 66 -10.910 11.939 -11.141 493 1HG2 THR 66 1HG2 THR 66 -10.769 10.431 -14.105 494 2HG2 THR 66 2HG2 THR 66 -11.558 10.457 -12.510 495 3HG2 THR 66 3HG2 THR 66 -12.337 11.249 -13.901 496 H GLY 67 H GLY 67 -7.447 12.679 -12.243 497 1HA GLY 67 1HA GLY 67 -6.639 15.367 -12.994 498 2HA GLY 67 2HA GLY 67 -5.835 14.274 -11.885 499 H LYS 68 H LYS 68 -7.977 13.593 -10.129 500 HA LYS 68 HA LYS 68 -8.887 16.178 -9.120 501 1HB LYS 68 1HB LYS 68 -10.153 13.699 -9.424 502 2HB LYS 68 2HB LYS 68 -9.857 13.827 -7.702 503 1HG LYS 68 1HG LYS 68 -11.688 15.168 -7.597 504 2HG LYS 68 2HG LYS 68 -10.725 16.405 -8.379 505 1HD LYS 68 1HD LYS 68 -11.869 16.209 -10.342 506 2HD LYS 68 2HD LYS 68 -11.759 14.461 -10.329 507 1HE LYS 68 1HE LYS 68 -13.986 14.439 -9.866 508 2HE LYS 68 2HE LYS 68 -13.566 14.979 -8.252 509 1HZ LYS 68 1HZ LYS 68 -13.982 16.832 -10.489 510 2HZ LYS 68 2HZ LYS 68 -15.169 16.399 -9.454 511 3HZ LYS 68 3HZ LYS 68 -13.860 17.206 -8.904 512 H GLU 69 H GLU 69 -9.202 15.257 -6.374 513 HA GLU 69 HA GLU 69 -6.390 14.973 -5.656 514 1HB GLU 69 1HB GLU 69 -6.979 16.461 -3.640 515 2HB GLU 69 2HB GLU 69 -6.851 17.259 -5.195 516 1HG GLU 69 1HG GLU 69 -9.505 16.260 -4.070 517 2HG GLU 69 2HG GLU 69 -8.903 17.880 -3.778 518 H ILE 70 H ILE 70 -6.243 12.910 -4.855 519 HA ILE 70 HA ILE 70 -8.495 11.816 -3.405 520 HB ILE 70 HB ILE 70 -5.845 10.637 -4.246 521 1HG1 ILE 70 1HG1 ILE 70 -7.805 11.336 -5.921 522 2HG1 ILE 70 2HG1 ILE 70 -6.815 9.910 -6.159 523 1HG2 ILE 70 1HG2 ILE 70 -8.125 9.535 -2.649 524 2HG2 ILE 70 2HG2 ILE 70 -7.253 8.467 -3.775 525 3HG2 ILE 70 3HG2 ILE 70 -6.371 9.289 -2.466 526 1HD1 ILE 70 1HD1 ILE 70 -9.266 9.618 -4.436 527 2HD1 ILE 70 2HD1 ILE 70 -9.493 9.775 -6.195 528 3HD1 ILE 70 3HD1 ILE 70 -8.510 8.443 -5.540 529 HA PRO 71 HA PRO 71 -7.139 13.505 0.448 530 1HB PRO 71 1HB PRO 71 -8.830 11.174 1.386 531 2HB PRO 71 2HB PRO 71 -8.867 12.907 1.849 532 1HG PRO 71 1HG PRO 71 -10.576 11.772 0.274 533 2HG PRO 71 2HG PRO 71 -10.247 13.516 0.015 534 1HD PRO 71 1HD PRO 71 -9.487 11.142 -1.631 535 2HD PRO 71 2HD PRO 71 -9.487 12.874 -2.082 536 HA PRO 72 HA PRO 72 -3.746 11.257 2.059 537 1HB PRO 72 1HB PRO 72 -5.387 10.649 4.537 538 2HB PRO 72 2HB PRO 72 -3.733 11.323 4.367 539 1HG PRO 72 1HG PRO 72 -5.953 12.984 4.881 540 2HG PRO 72 2HG PRO 72 -4.381 13.228 4.053 541 1HD PRO 72 1HD PRO 72 -7.174 12.981 2.930 542 2HD PRO 72 2HD PRO 72 -5.754 13.838 2.258 543 H LEU 73 H LEU 73 -3.091 9.151 1.574 544 HA LEU 73 HA LEU 73 -5.195 7.217 1.186 545 1HB LEU 73 1HB LEU 73 -3.727 7.179 -0.566 546 2HB LEU 73 2HB LEU 73 -2.326 7.492 0.439 547 HG LEU 73 HG LEU 73 -2.839 5.074 1.379 548 1HD1 LEU 73 1HD1 LEU 73 -4.957 5.099 -0.184 549 2HD1 LEU 73 2HD1 LEU 73 -3.784 4.576 -1.416 550 3HD1 LEU 73 3HD1 LEU 73 -4.012 3.611 0.062 551 1HD2 LEU 73 1HD2 LEU 73 -1.178 6.135 -0.738 552 2HD2 LEU 73 2HD2 LEU 73 -0.816 4.891 0.482 553 3HD2 LEU 73 3HD2 LEU 73 -1.600 4.435 -1.050 554 H ALA 74 H ALA 74 -2.564 7.954 3.468 555 HA ALA 74 HA ALA 74 -2.102 5.645 4.730 556 1HB ALA 74 1HB ALA 74 -1.041 7.619 5.503 557 2HB ALA 74 2HB ALA 74 -2.592 8.436 5.808 558 3HB ALA 74 3HB ALA 74 -2.068 7.101 6.862 559 HA PRO 75 HA PRO 75 -6.351 4.325 5.453 560 1HB PRO 75 1HB PRO 75 -4.866 1.829 6.196 561 2HB PRO 75 2HB PRO 75 -6.164 2.099 4.988 562 1HG PRO 75 1HG PRO 75 -3.557 1.686 4.101 563 2HG PRO 75 2HG PRO 75 -4.860 2.726 3.438 564 1HD PRO 75 1HD PRO 75 -2.525 3.460 5.294 565 2HD PRO 75 2HD PRO 75 -3.016 4.246 3.763 566 H ARG 76 H ARG 76 -3.557 4.765 7.493 567 HA ARG 76 HA ARG 76 -5.038 3.866 9.800 568 1HB ARG 76 1HB ARG 76 -2.502 3.403 9.358 569 2HB ARG 76 2HB ARG 76 -2.241 5.078 9.800 570 1HG ARG 76 1HG ARG 76 -3.898 4.161 11.857 571 2HG ARG 76 2HG ARG 76 -2.899 2.761 11.521 572 1HD ARG 76 1HD ARG 76 -0.843 4.083 11.836 573 2HD ARG 76 2HD ARG 76 -1.769 5.562 11.995 574 HE ARG 76 HE ARG 76 -2.468 3.438 13.923 575 1HH1 ARG 76 1HH1 ARG 76 -2.138 3.906 16.135 576 2HH1 ARG 76 2HH1 ARG 76 -1.216 5.297 16.597 577 1HH2 ARG 76 1HH2 ARG 76 -0.566 6.330 13.293 578 2HH2 ARG 76 2HH2 ARG 76 -0.316 6.686 14.970 579 H VAL 77 H VAL 77 -3.390 6.801 8.451 580 HA VAL 77 HA VAL 77 -3.833 8.570 10.472 581 HB VAL 77 HB VAL 77 -3.743 8.811 7.482 582 1HG1 VAL 77 1HG1 VAL 77 -5.273 10.585 8.336 583 2HG1 VAL 77 2HG1 VAL 77 -3.959 11.165 9.387 584 3HG1 VAL 77 3HG1 VAL 77 -3.776 11.226 7.618 585 1HG2 VAL 77 1HG2 VAL 77 -1.882 9.218 9.785 586 2HG2 VAL 77 2HG2 VAL 77 -1.587 8.496 8.185 587 3HG2 VAL 77 3HG2 VAL 77 -1.684 10.264 8.359 588 H ASN 78 H ASN 78 -6.115 7.492 7.893 589 HA ASN 78 HA ASN 78 -8.155 9.119 9.134 590 1HB ASN 78 1HB ASN 78 -8.557 7.309 6.717 591 2HB ASN 78 2HB ASN 78 -9.434 8.769 7.129 592 1HD2 ASN 78 2HD2 ASN 78 -8.639 8.725 4.676 593 2HD2 ASN 78 1HD2 ASN 78 -7.247 9.707 4.361 594 H THR 79 H THR 79 -9.987 8.161 10.184 595 HA THR 79 HA THR 79 -9.662 5.365 10.890 596 HB THR 79 HB THR 79 -11.581 6.014 12.470 597 HG1 THR 79 HG1 THR 79 -12.298 8.151 12.240 598 1HG2 THR 79 1HG2 THR 79 -8.939 6.505 12.834 599 2HG2 THR 79 2HG2 THR 79 -9.509 8.188 12.737 600 3HG2 THR 79 3HG2 THR 79 -10.164 7.097 13.982 601 H LYS 80 H LYS 80 -10.932 6.914 8.262 602 HA LYS 80 HA LYS 80 -13.140 4.984 8.081 603 1HB LYS 80 1HB LYS 80 -14.252 6.511 6.598 604 2HB LYS 80 2HB LYS 80 -13.823 7.368 8.065 605 1HG LYS 80 1HG LYS 80 -11.599 7.954 6.689 606 2HG LYS 80 2HG LYS 80 -12.618 7.609 5.305 607 1HD LYS 80 1HD LYS 80 -14.156 9.251 7.098 608 2HD LYS 80 2HD LYS 80 -12.570 9.985 6.961 609 1HE LYS 80 1HE LYS 80 -13.396 10.918 5.040 610 2HE LYS 80 2HE LYS 80 -13.055 9.356 4.322 611 1HZ LYS 80 1HZ LYS 80 -15.473 9.065 5.534 612 2HZ LYS 80 2HZ LYS 80 -15.550 10.547 4.851 613 3HZ LYS 80 3HZ LYS 80 -15.207 9.241 3.932 614 H ARG 81 H ARG 81 -10.641 3.931 7.706 615 HA ARG 81 HA ARG 81 -10.677 3.581 4.830 616 1HB ARG 81 1HB ARG 81 -8.281 4.239 6.581 617 2HB ARG 81 2HB ARG 81 -8.053 3.315 5.109 618 1HG ARG 81 1HG ARG 81 -9.672 5.865 4.975 619 2HG ARG 81 2HG ARG 81 -7.928 5.988 5.094 620 1HD ARG 81 1HD ARG 81 -7.701 4.484 3.087 621 2HD ARG 81 2HD ARG 81 -9.447 4.410 2.959 622 HE ARG 81 HE ARG 81 -7.732 6.718 2.296 623 1HH1 ARG 81 1HH1 ARG 81 -8.726 8.465 1.209 624 2HH1 ARG 81 2HH1 ARG 81 -10.453 8.549 1.103 625 1HH2 ARG 81 1HH2 ARG 81 -11.003 5.564 2.890 626 2HH2 ARG 81 2HH2 ARG 81 -11.756 6.888 2.066 627 H PHE 82 H PHE 82 -8.177 2.292 7.034 628 HA PHE 82 HA PHE 82 -8.768 -0.360 6.318 629 1HB PHE 82 1HB PHE 82 -6.996 1.208 8.194 630 2HB PHE 82 2HB PHE 82 -7.232 -0.474 8.627 631 HD1 PHE 82 HD1 PHE 82 -4.710 -0.552 8.301 632 HD2 PHE 82 HD2 PHE 82 -7.418 0.111 5.102 633 HE1 PHE 82 HE1 PHE 82 -2.935 -1.224 6.658 634 HE2 PHE 82 HE2 PHE 82 -5.643 -0.561 3.460 635 HZ PHE 82 HZ PHE 82 -3.423 -1.221 4.257 636 H THR 83 H THR 83 -11.203 -0.083 6.916 637 HA THR 83 HA THR 83 -11.621 -0.517 9.784 638 HB THR 83 HB THR 83 -13.567 0.068 7.489 639 HG1 THR 83 HG1 THR 83 -13.468 2.185 8.770 640 1HG2 THR 83 1HG2 THR 83 -14.019 -0.784 10.207 641 2HG2 THR 83 2HG2 THR 83 -14.404 0.951 10.116 642 3HG2 THR 83 3HG2 THR 83 -15.225 -0.200 9.035 643 H ASP 84 H ASP 84 -12.764 -1.903 6.627 644 HA ASP 84 HA ASP 84 -13.404 -4.315 8.026 645 1HB ASP 84 1HB ASP 84 -13.439 -3.956 5.012 646 2HB ASP 84 2HB ASP 84 -14.444 -5.010 5.985 647 H ILE 85 H ILE 85 -11.949 -6.034 8.193 648 HA ILE 85 HA ILE 85 -9.579 -5.919 6.479 649 HB ILE 85 HB ILE 85 -9.458 -5.860 9.030 650 1HG1 ILE 85 1HG1 ILE 85 -7.873 -7.951 7.509 651 2HG1 ILE 85 2HG1 ILE 85 -7.540 -6.231 7.520 652 1HG2 ILE 85 1HG2 ILE 85 -11.042 -8.127 8.832 653 2HG2 ILE 85 2HG2 ILE 85 -9.426 -8.769 9.211 654 3HG2 ILE 85 3HG2 ILE 85 -10.176 -7.558 10.279 655 1HD1 ILE 85 1HD1 ILE 85 -7.818 -7.438 10.226 656 2HD1 ILE 85 2HD1 ILE 85 -6.430 -8.026 9.278 657 3HD1 ILE 85 3HD1 ILE 85 -6.607 -6.287 9.612 658 H ASP 86 H ASP 86 -11.493 -6.690 4.890 659 HA ASP 86 HA ASP 86 -11.016 -9.516 4.663 660 1HB ASP 86 1HB ASP 86 -13.825 -8.313 4.632 661 2HB ASP 86 2HB ASP 86 -13.445 -9.972 4.216 662 H LYS 87 H LYS 87 -12.832 -6.616 3.418 663 HA LYS 87 HA LYS 87 -12.450 -7.526 0.692 664 1HB LYS 87 1HB LYS 87 -14.305 -5.796 2.110 665 2HB LYS 87 2HB LYS 87 -13.655 -4.989 0.697 666 1HG LYS 87 1HG LYS 87 -14.584 -6.520 -0.791 667 2HG LYS 87 2HG LYS 87 -14.474 -7.856 0.338 668 1HD LYS 87 1HD LYS 87 -16.430 -7.162 1.538 669 2HD LYS 87 2HD LYS 87 -16.388 -5.551 0.850 670 1HE LYS 87 1HE LYS 87 -17.734 -6.222 -0.846 671 2HE LYS 87 2HE LYS 87 -16.536 -7.397 -1.350 672 1HZ LYS 87 1HZ LYS 87 -18.307 -7.972 0.899 673 2HZ LYS 87 2HZ LYS 87 -18.809 -8.217 -0.635 674 3HZ LYS 87 3HZ LYS 87 -17.507 -9.021 -0.064 675 H VAL 88 H VAL 88 -10.552 -6.049 2.984 676 HA VAL 88 HA VAL 88 -9.473 -3.985 1.282 677 HB VAL 88 HB VAL 88 -9.703 -4.316 3.972 678 1HG1 VAL 88 1HG1 VAL 88 -7.916 -6.070 3.921 679 2HG1 VAL 88 2HG1 VAL 88 -6.775 -4.826 3.357 680 3HG1 VAL 88 3HG1 VAL 88 -7.535 -4.676 4.960 681 1HG2 VAL 88 1HG2 VAL 88 -7.845 -2.587 2.327 682 2HG2 VAL 88 2HG2 VAL 88 -9.416 -2.164 3.050 683 3HG2 VAL 88 3HG2 VAL 88 -7.993 -2.407 4.092 684 H GLU 89 H GLU 89 -8.936 -7.384 2.062 685 HA GLU 89 HA GLU 89 -6.250 -7.412 1.210 686 1HB GLU 89 1HB GLU 89 -7.130 -9.109 2.754 687 2HB GLU 89 2HB GLU 89 -8.293 -9.649 1.560 688 1HG GLU 89 1HG GLU 89 -6.091 -9.975 0.055 689 2HG GLU 89 2HG GLU 89 -5.303 -10.057 1.618 690 H ASP 90 H ASP 90 -9.405 -8.384 -0.295 691 HA ASP 90 HA ASP 90 -8.289 -9.235 -2.677 692 1HB ASP 90 1HB ASP 90 -11.036 -7.975 -2.236 693 2HB ASP 90 2HB ASP 90 -10.588 -9.006 -3.581 694 H GLU 91 H GLU 91 -9.743 -6.080 -1.611 695 HA GLU 91 HA GLU 91 -9.588 -4.768 -4.004 696 1HB GLU 91 1HB GLU 91 -9.505 -3.856 -1.118 697 2HB GLU 91 2HB GLU 91 -9.330 -2.681 -2.407 698 1HG GLU 91 1HG GLU 91 -11.581 -4.630 -2.728 699 2HG GLU 91 2HG GLU 91 -11.749 -3.489 -1.409 700 H PHE 92 H PHE 92 -7.037 -5.845 -1.897 701 HA PHE 92 HA PHE 92 -5.144 -3.885 -2.842 702 1HB PHE 92 1HB PHE 92 -5.496 -5.801 -0.688 703 2HB PHE 92 2HB PHE 92 -4.033 -6.259 -1.536 704 HD1 PHE 92 HD1 PHE 92 -2.885 -3.686 -2.311 705 HD2 PHE 92 HD2 PHE 92 -4.830 -4.805 1.291 706 HE1 PHE 92 HE1 PHE 92 -1.612 -1.912 -1.073 707 HE2 PHE 92 HE2 PHE 92 -3.558 -3.030 2.529 708 HZ PHE 92 HZ PHE 92 -1.964 -1.605 1.332 709 H THR 93 H THR 93 -6.194 -7.202 -3.566 710 HA THR 93 HA THR 93 -3.861 -7.695 -5.220 711 HB THR 93 HB THR 93 -6.199 -9.222 -4.100 712 HG1 THR 93 HG1 THR 93 -4.255 -9.717 -3.121 713 1HG2 THR 93 1HG2 THR 93 -4.656 -10.015 -6.626 714 2HG2 THR 93 2HG2 THR 93 -5.594 -11.152 -5.629 715 3HG2 THR 93 3HG2 THR 93 -6.420 -9.828 -6.484 716 H LYS 94 H LYS 94 -7.348 -6.918 -5.575 717 HA LYS 94 HA LYS 94 -7.389 -7.273 -8.361 718 1HB LYS 94 1HB LYS 94 -9.166 -5.475 -6.692 719 2HB LYS 94 2HB LYS 94 -9.526 -6.155 -8.266 720 1HG LYS 94 1HG LYS 94 -8.756 -8.308 -6.479 721 2HG LYS 94 2HG LYS 94 -9.980 -7.335 -5.688 722 1HD LYS 94 1HD LYS 94 -11.157 -7.479 -8.106 723 2HD LYS 94 2HD LYS 94 -10.173 -8.923 -8.246 724 1HE LYS 94 1HE LYS 94 -12.237 -9.678 -7.302 725 2HE LYS 94 2HE LYS 94 -11.116 -9.643 -5.956 726 1HZ LYS 94 1HZ LYS 94 -12.169 -7.149 -6.021 727 2HZ LYS 94 2HZ LYS 94 -13.449 -8.103 -6.365 728 3HZ LYS 94 3HZ LYS 94 -12.597 -8.343 -4.992 729 H HIS 95 H HIS 95 -6.385 -4.712 -6.227 730 HA HIS 95 HA HIS 95 -6.323 -2.568 -8.147 731 1HB HIS 95 1HB HIS 95 -6.386 -2.388 -5.632 732 2HB HIS 95 2HB HIS 95 -4.655 -2.936 -5.600 733 HD1 HIS 95 HD1 HIS 95 -5.214 -0.732 -8.387 734 HD2 HIS 95 HD2 HIS 95 -4.420 -0.259 -4.311 735 HE1 HIS 95 HE1 HIS 95 -4.366 1.684 -8.095 736 H CYS 96 H CYS 96 -3.651 -4.565 -6.754 737 HA CYS 96 HA CYS 96 -1.602 -3.665 -8.439 738 1HB CYS 96 1HB CYS 96 -2.140 -6.141 -6.829 739 2HB CYS 96 2HB CYS 96 -0.785 -6.166 -7.985 740 H ASN 97 H ASN 97 -4.342 -5.832 -9.125 741 HA ASN 97 HA ASN 97 -3.082 -6.978 -11.382 742 1HB ASN 97 1HB ASN 97 -5.616 -7.227 -9.937 743 2HB ASN 97 2HB ASN 97 -5.928 -7.142 -11.659 744 1HD2 ASN 97 2HD2 ASN 97 -5.280 -9.149 -9.146 745 2HD2 ASN 97 1HD2 ASN 97 -4.642 -10.533 -9.969 746 H ASP 98 H ASP 98 -4.586 -3.954 -10.614 747 HA ASP 98 HA ASP 98 -5.168 -3.484 -13.430 748 1HB ASP 98 1HB ASP 98 -6.674 -2.960 -11.085 749 2HB ASP 98 2HB ASP 98 -6.059 -1.392 -11.571 750 H ILE 99 H ILE 99 -2.792 -3.122 -11.112 751 HA ILE 99 HA ILE 99 -1.982 -0.486 -12.127 752 HB ILE 99 HB ILE 99 -1.433 -1.821 -9.477 753 1HG1 ILE 99 1HG1 ILE 99 -3.606 -0.891 -9.439 754 2HG1 ILE 99 2HG1 ILE 99 -2.571 0.256 -8.610 755 1HG2 ILE 99 1HG2 ILE 99 0.585 -0.695 -10.245 756 2HG2 ILE 99 2HG2 ILE 99 -0.343 0.790 -10.564 757 3HG2 ILE 99 3HG2 ILE 99 -0.160 0.195 -8.896 758 1HD1 ILE 99 1HD1 ILE 99 -2.346 1.511 -10.834 759 2HD1 ILE 99 2HD1 ILE 99 -3.630 0.448 -11.460 760 3HD1 ILE 99 3HD1 ILE 99 -3.966 1.541 -10.096 761 H LEU 100 H LEU 100 -0.671 -3.641 -10.882 762 HA LEU 100 HA LEU 100 1.681 -3.214 -12.535 763 1HB LEU 100 1HB LEU 100 0.977 -5.176 -10.360 764 2HB LEU 100 2HB LEU 100 2.413 -5.345 -11.350 765 HG LEU 100 HG LEU 100 1.752 -3.057 -9.480 766 1HD1 LEU 100 1HD1 LEU 100 2.753 -5.480 -8.821 767 2HD1 LEU 100 2HD1 LEU 100 4.258 -4.608 -9.202 768 3HD1 LEU 100 3HD1 LEU 100 3.148 -3.970 -7.964 769 1HD2 LEU 100 1HD2 LEU 100 3.973 -3.353 -11.502 770 2HD2 LEU 100 2HD2 LEU 100 2.838 -2.000 -11.274 771 3HD2 LEU 100 3HD2 LEU 100 4.117 -2.301 -10.074 772 H GLY 101 H GLY 101 -1.396 -4.854 -12.538 773 1HA GLY 101 1HA GLY 101 -0.681 -6.104 -15.090 774 2HA GLY 101 2HA GLY 101 -2.291 -5.783 -14.477 775 H ALA 102 H ALA 102 -0.965 -6.886 -11.736 776 HA ALA 102 HA ALA 102 -2.071 -9.492 -12.066 777 1HB ALA 102 1HB ALA 102 0.070 -9.960 -13.100 778 2HB ALA 102 2HB ALA 102 0.068 -10.681 -11.473 779 3HB ALA 102 3HB ALA 102 0.939 -9.157 -11.770 780 H ASP 103 H ASP 103 -0.951 -10.737 -9.819 781 HA ASP 103 HA ASP 103 -1.984 -8.968 -7.790 782 1HB ASP 103 1HB ASP 103 -2.599 -11.497 -8.165 783 2HB ASP 103 2HB ASP 103 -1.066 -11.838 -7.388 784 H CYS 104 H CYS 104 -0.640 -7.968 -6.372 785 HA CYS 104 HA CYS 104 2.200 -8.100 -6.617 786 1HB CYS 104 1HB CYS 104 0.277 -6.865 -4.627 787 2HB CYS 104 2HB CYS 104 2.041 -6.768 -4.401 788 H SER 105 H SER 105 3.734 -8.672 -4.748 789 HA SER 105 HA SER 105 3.048 -11.290 -3.903 790 1HB SER 105 1HB SER 105 5.357 -10.565 -4.626 791 2HB SER 105 2HB SER 105 5.475 -9.593 -3.173 792 HG SER 105 HG SER 105 6.331 -11.415 -2.388 793 HA PRO 106 HA PRO 106 1.453 -10.446 0.105 794 1HB PRO 106 1HB PRO 106 2.914 -12.846 1.102 795 2HB PRO 106 2HB PRO 106 1.155 -12.553 0.906 796 1HG PRO 106 1HG PRO 106 2.437 -14.339 -0.878 797 2HG PRO 106 2HG PRO 106 1.074 -13.184 -1.040 798 1HD PRO 106 1HD PRO 106 4.054 -12.771 -1.695 799 2HD PRO 106 2HD PRO 106 2.653 -12.584 -2.793 800 H SER 107 H SER 107 4.876 -10.559 -0.608 801 HA SER 107 HA SER 107 5.571 -9.888 2.100 802 1HB SER 107 1HB SER 107 7.874 -9.986 1.336 803 2HB SER 107 2HB SER 107 7.023 -11.376 0.694 804 HG SER 107 HG SER 107 8.132 -9.158 -0.650 805 H GLU 108 H GLU 108 5.422 -8.410 -1.190 806 HA GLU 108 HA GLU 108 6.485 -5.952 -0.353 807 1HB GLU 108 1HB GLU 108 5.719 -5.140 -2.569 808 2HB GLU 108 2HB GLU 108 6.561 -6.671 -2.701 809 1HG GLU 108 1HG GLU 108 4.441 -7.897 -2.866 810 2HG GLU 108 2HG GLU 108 3.522 -6.445 -2.523 811 H LYS 109 H LYS 109 3.598 -7.465 0.454 812 HA LYS 109 HA LYS 109 2.060 -4.986 0.493 813 1HB LYS 109 1HB LYS 109 1.321 -7.892 0.895 814 2HB LYS 109 2HB LYS 109 0.216 -6.579 1.246 815 1HG LYS 109 1HG LYS 109 1.562 -6.426 -1.418 816 2HG LYS 109 2HG LYS 109 0.456 -7.771 -1.220 817 1HD LYS 109 1HD LYS 109 -1.054 -5.747 -0.138 818 2HD LYS 109 2HD LYS 109 -0.117 -4.838 -1.308 819 1HE LYS 109 1HE LYS 109 -2.273 -5.710 -2.260 820 2HE LYS 109 2HE LYS 109 -0.867 -6.280 -3.139 821 1HZ LYS 109 1HZ LYS 109 -1.776 -7.921 -0.943 822 2HZ LYS 109 2HZ LYS 109 -2.723 -7.890 -2.274 823 3HZ LYS 109 3HZ LYS 109 -1.164 -8.364 -2.391 824 H ALA 110 H ALA 110 2.652 -7.757 2.775 825 HA ALA 110 HA ALA 110 1.916 -6.549 5.073 826 1HB ALA 110 1HB ALA 110 4.426 -8.106 5.283 827 2HB ALA 110 2HB ALA 110 2.835 -8.394 6.027 828 3HB ALA 110 3HB ALA 110 3.137 -8.901 4.348 829 H ASN 111 H ASN 111 4.735 -5.845 3.061 830 HA ASN 111 HA ASN 111 6.172 -4.521 5.080 831 1HB ASN 111 1HB ASN 111 6.950 -5.450 2.726 832 2HB ASN 111 2HB ASN 111 6.404 -3.904 2.105 833 1HD2 ASN 111 2HD2 ASN 111 7.120 -1.990 3.568 834 2HD2 ASN 111 1HD2 ASN 111 8.800 -1.948 3.986 835 H PHE 112 H PHE 112 4.217 -3.433 2.198 836 HA PHE 112 HA PHE 112 4.381 -0.725 2.627 837 1HB PHE 112 1HB PHE 112 3.416 -2.002 0.641 838 2HB PHE 112 2HB PHE 112 2.044 -2.464 1.629 839 HD1 PHE 112 HD1 PHE 112 0.123 -1.319 1.116 840 HD2 PHE 112 HD2 PHE 112 3.825 0.741 0.870 841 HE1 PHE 112 HE1 PHE 112 -1.084 0.766 0.414 842 HE2 PHE 112 HE2 PHE 112 2.618 2.826 0.168 843 HZ PHE 112 HZ PHE 112 0.177 2.814 -0.052 844 H ILE 113 H ILE 113 1.985 -3.111 3.923 845 HA ILE 113 HA ILE 113 0.288 -1.315 5.136 846 HB ILE 113 HB ILE 113 1.025 -4.171 5.548 847 1HG1 ILE 113 1HG1 ILE 113 -1.792 -3.474 5.369 848 2HG1 ILE 113 2HG1 ILE 113 -0.882 -2.754 4.056 849 1HG2 ILE 113 1HG2 ILE 113 0.799 -3.273 7.838 850 2HG2 ILE 113 2HG2 ILE 113 -0.825 -2.674 7.424 851 3HG2 ILE 113 3HG2 ILE 113 -0.493 -4.422 7.416 852 1HD1 ILE 113 1HD1 ILE 113 0.246 -5.175 3.927 853 2HD1 ILE 113 2HD1 ILE 113 -1.263 -5.665 4.733 854 3HD1 ILE 113 3HD1 ILE 113 -1.323 -4.854 3.149 855 H ALA 114 H ALA 114 3.437 -2.650 6.234 856 HA ALA 114 HA ALA 114 3.286 -1.632 8.844 857 1HB ALA 114 1HB ALA 114 5.661 -2.139 8.913 858 2HB ALA 114 2HB ALA 114 4.830 -3.425 8.005 859 3HB ALA 114 3HB ALA 114 5.746 -2.172 7.135 860 H TYR 115 H TYR 115 5.227 -0.481 6.053 861 HA TYR 115 HA TYR 115 6.092 1.936 7.051 862 1HB TYR 115 1HB TYR 115 6.184 0.660 4.645 863 2HB TYR 115 2HB TYR 115 5.102 2.008 4.257 864 HD1 TYR 115 HD1 TYR 115 8.518 1.036 5.198 865 HD2 TYR 115 HD2 TYR 115 5.888 4.326 4.355 866 HE1 TYR 115 HE1 TYR 115 10.476 2.541 4.962 867 HE2 TYR 115 HE2 TYR 115 7.845 5.830 4.119 868 HH TYR 115 HH TYR 115 10.118 6.032 4.293 869 H LEU 116 H LEU 116 2.819 1.150 5.724 870 HA LEU 116 HA LEU 116 1.970 3.849 5.741 871 1HB LEU 116 1HB LEU 116 1.008 1.351 4.871 872 2HB LEU 116 2HB LEU 116 -0.175 1.944 6.020 873 HG LEU 116 HG LEU 116 -0.627 3.881 4.744 874 1HD1 LEU 116 1HD1 LEU 116 2.014 3.319 3.470 875 2HD1 LEU 116 2HD1 LEU 116 0.768 4.150 2.508 876 3HD1 LEU 116 3HD1 LEU 116 1.318 4.852 4.049 877 1HD2 LEU 116 1HD2 LEU 116 -1.181 1.418 3.801 878 2HD2 LEU 116 2HD2 LEU 116 -1.731 2.922 3.024 879 3HD2 LEU 116 3HD2 LEU 116 -0.286 2.082 2.413 880 H LEU 117 H LEU 117 1.983 1.169 8.114 881 HA LEU 117 HA LEU 117 0.530 2.845 9.997 882 1HB LEU 117 1HB LEU 117 0.090 0.943 11.198 883 2HB LEU 117 2HB LEU 117 0.066 0.368 9.543 884 HG LEU 117 HG LEU 117 2.655 -0.131 10.145 885 1HD1 LEU 117 1HD1 LEU 117 1.482 0.490 12.665 886 2HD1 LEU 117 2HD1 LEU 117 1.835 -1.255 12.633 887 3HD1 LEU 117 3HD1 LEU 117 3.131 -0.078 12.308 888 1HD2 LEU 117 1HD2 LEU 117 0.818 -1.644 9.247 889 2HD2 LEU 117 2HD2 LEU 117 2.075 -2.411 10.247 890 3HD2 LEU 117 3HD2 LEU 117 0.475 -2.062 10.943 891 H THR 118 H THR 118 3.312 3.450 8.951 892 HA THR 118 HA THR 118 4.636 3.467 11.583 893 HB THR 118 HB THR 118 5.718 2.893 8.787 894 HG1 THR 118 HG1 THR 118 5.916 1.743 11.483 895 1HG2 THR 118 1HG2 THR 118 7.085 4.550 10.521 896 2HG2 THR 118 2HG2 THR 118 7.578 2.951 11.127 897 3HG2 THR 118 3HG2 THR 118 7.884 3.393 9.429 898 H GLU 119 H GLU 119 5.426 5.017 8.426 899 HA GLU 119 HA GLU 119 5.640 7.495 9.855 900 1HB GLU 119 1HB GLU 119 6.128 6.957 6.895 901 2HB GLU 119 2HB GLU 119 6.674 8.348 7.810 902 1HG GLU 119 1HG GLU 119 7.661 6.182 9.297 903 2HG GLU 119 2HG GLU 119 7.842 5.640 7.641 904 H THR 120 H THR 120 3.277 7.625 10.345 905 HA THR 120 HA THR 120 1.640 8.276 8.002 906 HB THR 120 HB THR 120 -0.213 7.715 9.404 907 HG1 THR 120 HG1 THR 120 1.773 7.992 11.551 908 1HG2 THR 120 1HG2 THR 120 1.756 5.820 9.184 909 2HG2 THR 120 2HG2 THR 120 1.712 6.013 10.953 910 3HG2 THR 120 3HG2 THR 120 0.240 5.537 10.073 911 H LYS 121 H LYS 121 3.353 10.218 8.042 912 HA LYS 121 HA LYS 121 1.872 12.384 9.333 913 1HB LYS 121 1HB LYS 121 4.896 12.156 9.363 914 2HB LYS 121 2HB LYS 121 3.941 13.468 10.023 915 1HG LYS 121 1HG LYS 121 3.024 12.092 11.756 916 2HG LYS 121 2HG LYS 121 3.480 10.608 10.943 917 1HD LYS 121 1HD LYS 121 5.433 10.586 12.089 918 2HD LYS 121 2HD LYS 121 5.900 12.086 11.314 919 1HE LYS 121 1HE LYS 121 4.954 13.424 13.080 920 2HE LYS 121 2HE LYS 121 4.048 12.072 13.729 921 1HZ LYS 121 1HZ LYS 121 6.222 11.021 14.194 922 2HZ LYS 121 2HZ LYS 121 6.961 12.416 13.774 923 3HZ LYS 121 3HZ LYS 121 5.947 12.382 15.054 924 HA PRO 122 HA PRO 122 2.139 14.141 5.330 925 1HB PRO 122 1HB PRO 122 1.501 16.732 5.955 926 2HB PRO 122 2HB PRO 122 0.323 15.387 6.099 927 1HG PRO 122 1HG PRO 122 1.964 16.724 8.344 928 2HG PRO 122 2HG PRO 122 0.257 16.213 8.144 929 1HD PRO 122 1HD PRO 122 2.338 14.707 9.367 930 2HD PRO 122 2HD PRO 122 0.794 14.035 8.759 931 H THR 123 H THR 123 3.324 15.987 4.112 932 HA THR 123 HA THR 123 5.552 17.153 5.513 933 HB THR 123 HB THR 123 5.885 14.869 3.508 934 HG1 THR 123 HG1 THR 123 6.028 14.076 5.599 935 1HG2 THR 123 1HG2 THR 123 7.672 17.182 4.148 936 2HG2 THR 123 2HG2 THR 123 8.426 15.577 4.307 937 3HG2 THR 123 3HG2 THR 123 7.713 16.076 2.754 938 H LYS 124 H LYS 124 3.597 18.630 4.581 939 HA LYS 124 HA LYS 124 3.363 19.225 1.956 940 1HB LYS 124 1HB LYS 124 3.135 20.769 4.490 941 2HB LYS 124 2HB LYS 124 3.223 21.705 3.011 942 1HG LYS 124 1HG LYS 124 1.390 19.335 2.943 943 2HG LYS 124 2HG LYS 124 0.899 20.646 3.996 944 1HD LYS 124 1HD LYS 124 -0.037 21.479 2.067 945 2HD LYS 124 2HD LYS 124 1.578 22.109 1.805 946 1HE LYS 124 1HE LYS 124 2.141 19.994 0.520 947 2HE LYS 124 2HE LYS 124 0.475 19.481 0.701 948 1HZ LYS 124 1HZ LYS 124 0.183 21.942 -0.256 949 2HZ LYS 124 2HZ LYS 124 1.568 21.503 -1.000 950 3HZ LYS 124 3HZ LYS 124 0.219 20.601 -1.187 No H/Q in entry = 950 Start of MODEL 20 1 H1 ASP 1 H1 ASP 1 -7.424 -0.882 10.936 2 H2 ASP 1 H2 ASP 1 -8.971 -0.301 11.043 3 H3 ASP 1 H3 ASP 1 -7.802 0.593 10.286 4 HA ASP 1 HA ASP 1 -7.553 1.651 12.075 5 1HB ASP 1 1HB ASP 1 -8.397 -0.281 14.125 6 2HB ASP 1 2HB ASP 1 -8.999 1.335 13.813 7 H VAL 2 H VAL 2 -6.398 1.278 14.467 8 HA VAL 2 HA VAL 2 -3.911 0.154 13.925 9 HB VAL 2 HB VAL 2 -5.261 0.863 16.536 10 1HG1 VAL 2 1HG1 VAL 2 -2.450 0.008 15.891 11 2HG1 VAL 2 2HG1 VAL 2 -2.750 1.161 17.214 12 3HG1 VAL 2 3HG1 VAL 2 -3.493 -0.456 17.256 13 1HG2 VAL 2 1HG2 VAL 2 -4.726 2.569 14.527 14 2HG2 VAL 2 2HG2 VAL 2 -4.590 3.020 16.244 15 3HG2 VAL 2 3HG2 VAL 2 -3.135 2.562 15.326 16 H THR 3 H THR 3 -6.893 -1.175 15.371 17 HA THR 3 HA THR 3 -5.550 -3.601 16.188 18 HB THR 3 HB THR 3 -8.476 -2.691 16.162 19 HG1 THR 3 HG1 THR 3 -6.822 -1.592 17.556 20 1HG2 THR 3 1HG2 THR 3 -7.156 -5.261 16.907 21 2HG2 THR 3 2HG2 THR 3 -8.162 -4.550 18.191 22 3HG2 THR 3 3HG2 THR 3 -8.877 -4.922 16.604 23 H ASN 4 H ASN 4 -5.989 -2.468 13.222 24 HA ASN 4 HA ASN 4 -6.927 -5.050 12.242 25 1HB ASN 4 1HB ASN 4 -7.343 -2.222 11.281 26 2HB ASN 4 2HB ASN 4 -7.157 -3.449 10.042 27 1HD2 ASN 4 2HD2 ASN 4 -8.616 -3.543 13.286 28 2HD2 ASN 4 1HD2 ASN 4 -10.202 -4.043 12.802 29 H ALA 5 H ALA 5 -5.035 -2.136 11.106 30 HA ALA 5 HA ALA 5 -3.477 -3.226 9.230 31 1HB ALA 5 1HB ALA 5 -2.290 -1.409 11.342 32 2HB ALA 5 2HB ALA 5 -2.004 -1.415 9.586 33 3HB ALA 5 3HB ALA 5 -3.558 -0.835 10.232 34 H GLU 6 H GLU 6 -2.993 -3.491 12.798 35 HA GLU 6 HA GLU 6 -0.553 -4.704 12.755 36 1HB GLU 6 1HB GLU 6 -1.325 -4.068 14.876 37 2HB GLU 6 2HB GLU 6 -2.909 -4.779 14.636 38 1HG GLU 6 1HG GLU 6 -1.528 -6.102 16.242 39 2HG GLU 6 2HG GLU 6 -1.988 -7.049 14.841 40 H LYS 7 H LYS 7 -3.846 -6.205 12.558 41 HA LYS 7 HA LYS 7 -2.973 -8.847 12.511 42 1HB LYS 7 1HB LYS 7 -5.250 -8.411 12.975 43 2HB LYS 7 2HB LYS 7 -5.462 -7.452 11.524 44 1HG LYS 7 1HG LYS 7 -4.690 -10.395 11.385 45 2HG LYS 7 2HG LYS 7 -6.365 -9.893 11.500 46 1HD LYS 7 1HD LYS 7 -5.299 -8.249 9.468 47 2HD LYS 7 2HD LYS 7 -4.552 -9.809 9.186 48 1HE LYS 7 1HE LYS 7 -7.246 -10.437 9.759 49 2HE LYS 7 2HE LYS 7 -7.348 -8.986 8.781 50 1HZ LYS 7 1HZ LYS 7 -5.491 -10.431 7.504 51 2HZ LYS 7 2HZ LYS 7 -6.502 -11.599 8.035 52 3HZ LYS 7 3HZ LYS 7 -7.074 -10.385 7.104 53 H LEU 8 H LEU 8 -3.730 -6.565 9.791 54 HA LEU 8 HA LEU 8 -3.209 -8.259 7.712 55 1HB LEU 8 1HB LEU 8 -2.935 -5.300 8.098 56 2HB LEU 8 2HB LEU 8 -2.415 -6.035 6.595 57 HG LEU 8 HG LEU 8 -5.195 -5.928 7.764 58 1HD1 LEU 8 1HD1 LEU 8 -3.767 -4.419 5.810 59 2HD1 LEU 8 2HD1 LEU 8 -5.071 -5.311 4.988 60 3HD1 LEU 8 3HD1 LEU 8 -5.452 -4.237 6.356 61 1HD2 LEU 8 1HD2 LEU 8 -4.045 -7.960 5.942 62 2HD2 LEU 8 2HD2 LEU 8 -5.446 -8.048 7.036 63 3HD2 LEU 8 3HD2 LEU 8 -5.604 -7.256 5.450 64 H VAL 9 H VAL 9 -0.885 -6.309 9.672 65 HA VAL 9 HA VAL 9 1.370 -6.997 8.162 66 HB VAL 9 HB VAL 9 1.132 -6.251 11.084 67 1HG1 VAL 9 1HG1 VAL 9 3.419 -6.784 9.323 68 2HG1 VAL 9 2HG1 VAL 9 3.493 -5.191 10.113 69 3HG1 VAL 9 3HG1 VAL 9 3.339 -6.666 11.097 70 1HG2 VAL 9 1HG2 VAL 9 0.212 -4.752 9.017 71 2HG2 VAL 9 2HG2 VAL 9 0.881 -4.072 10.520 72 3HG2 VAL 9 3HG2 VAL 9 1.908 -4.215 9.073 73 H TYR 10 H TYR 10 0.013 -8.327 11.196 74 HA TYR 10 HA TYR 10 1.905 -10.456 11.423 75 1HB TYR 10 1HB TYR 10 0.322 -9.422 13.182 76 2HB TYR 10 2HB TYR 10 -0.921 -10.481 12.495 77 HD1 TYR 10 HD1 TYR 10 -0.799 -12.906 12.758 78 HD2 TYR 10 HD2 TYR 10 2.192 -10.329 14.450 79 HE1 TYR 10 HE1 TYR 10 0.013 -14.776 14.171 80 HE2 TYR 10 HE2 TYR 10 3.003 -12.198 15.863 81 HH TYR 10 HH TYR 10 2.492 -15.298 15.389 82 H LYS 11 H LYS 11 -0.641 -9.930 9.157 83 HA LYS 11 HA LYS 11 -1.106 -12.790 8.854 84 1HB LYS 11 1HB LYS 11 -2.592 -10.339 8.269 85 2HB LYS 11 2HB LYS 11 -2.572 -11.445 6.911 86 1HG LYS 11 1HG LYS 11 -3.201 -12.415 9.726 87 2HG LYS 11 2HG LYS 11 -4.449 -11.741 8.698 88 1HD LYS 11 1HD LYS 11 -3.481 -13.476 6.909 89 2HD LYS 11 2HD LYS 11 -2.863 -14.289 8.333 90 1HE LYS 11 1HE LYS 11 -5.648 -13.487 8.750 91 2HE LYS 11 2HE LYS 11 -5.501 -14.436 7.284 92 1HZ LYS 11 1HZ LYS 11 -4.120 -15.980 8.726 93 2HZ LYS 11 2HZ LYS 11 -4.768 -15.200 10.005 94 3HZ LYS 11 3HZ LYS 11 -5.737 -15.984 8.950 95 H TYR 12 H TYR 12 -0.642 -10.099 6.543 96 HA TYR 12 HA TYR 12 0.365 -11.566 4.425 97 1HB TYR 12 1HB TYR 12 0.925 -8.752 5.386 98 2HB TYR 12 2HB TYR 12 1.608 -9.382 3.877 99 HD1 TYR 12 HD1 TYR 12 -0.046 -10.326 2.129 100 HD2 TYR 12 HD2 TYR 12 -1.224 -7.826 5.418 101 HE1 TYR 12 HE1 TYR 12 -2.143 -9.747 0.938 102 HE2 TYR 12 HE2 TYR 12 -3.321 -7.247 4.226 103 HH TYR 12 HH TYR 12 -4.070 -7.214 1.607 104 H THR 13 H THR 13 1.969 -10.762 7.492 105 HA THR 13 HA THR 13 4.603 -11.245 6.460 106 HB THR 13 HB THR 13 3.421 -10.973 9.274 107 HG1 THR 13 HG1 THR 13 4.976 -9.312 7.416 108 1HG2 THR 13 1HG2 THR 13 6.043 -11.873 8.467 109 2HG2 THR 13 2HG2 THR 13 6.195 -10.194 9.037 110 3HG2 THR 13 3HG2 THR 13 5.496 -11.436 10.104 111 H ASN 14 H ASN 14 2.240 -13.100 8.477 112 HA ASN 14 HA ASN 14 3.876 -15.282 8.823 113 1HB ASN 14 1HB ASN 14 1.357 -14.571 9.659 114 2HB ASN 14 2HB ASN 14 0.932 -15.778 8.462 115 1HD2 ASN 14 2HD2 ASN 14 0.583 -17.663 9.329 116 2HD2 ASN 14 1HD2 ASN 14 1.461 -18.411 10.621 117 H ILE 15 H ILE 15 1.197 -14.666 6.424 118 HA ILE 15 HA ILE 15 1.292 -16.986 5.017 119 HB ILE 15 HB ILE 15 0.590 -14.167 4.386 120 1HG1 ILE 15 1HG1 ILE 15 -1.168 -16.493 3.793 121 2HG1 ILE 15 2HG1 ILE 15 -0.788 -16.212 5.480 122 1HG2 ILE 15 1HG2 ILE 15 1.346 -16.187 2.354 123 2HG2 ILE 15 2HG2 ILE 15 -0.193 -15.334 2.083 124 3HG2 ILE 15 3HG2 ILE 15 1.317 -14.409 2.264 125 1HD1 ILE 15 1HD1 ILE 15 -1.336 -13.642 4.653 126 2HD1 ILE 15 2HD1 ILE 15 -2.432 -14.584 3.614 127 3HD1 ILE 15 3HD1 ILE 15 -2.535 -14.737 5.384 128 H ALA 16 H ALA 16 3.374 -14.059 4.573 129 HA ALA 16 HA ALA 16 4.791 -14.996 2.384 130 1HB ALA 16 1HB ALA 16 5.632 -13.167 4.669 131 2HB ALA 16 2HB ALA 16 4.839 -12.675 3.153 132 3HB ALA 16 3HB ALA 16 6.494 -13.331 3.121 133 H HIS 17 H HIS 17 5.600 -15.203 5.924 134 HA HIS 17 HA HIS 17 7.917 -16.669 5.580 135 1HB HIS 17 1HB HIS 17 7.283 -15.508 7.646 136 2HB HIS 17 2HB HIS 17 5.973 -16.643 7.905 137 HD1 HIS 17 HD1 HIS 17 9.781 -16.526 7.807 138 HD2 HIS 17 HD2 HIS 17 6.683 -18.993 9.190 139 HE1 HIS 17 HE1 HIS 17 10.887 -18.340 9.220 140 H SER 18 H SER 18 4.500 -17.608 5.483 141 HA SER 18 HA SER 18 4.974 -20.348 5.865 142 1HB SER 18 1HB SER 18 2.767 -19.266 6.236 143 2HB SER 18 2HB SER 18 2.642 -18.906 4.525 144 HG SER 18 HG SER 18 1.996 -20.913 4.131 145 H ALA 19 H ALA 19 5.473 -18.146 3.224 146 HA ALA 19 HA ALA 19 5.377 -20.295 1.251 147 1HB ALA 19 1HB ALA 19 5.116 -17.351 1.262 148 2HB ALA 19 2HB ALA 19 6.114 -17.987 -0.068 149 3HB ALA 19 3HB ALA 19 4.440 -18.555 0.139 150 H ASN 20 H ASN 20 7.589 -17.975 2.884 151 HA ASN 20 HA ASN 20 9.757 -19.686 2.008 152 1HB ASN 20 1HB ASN 20 9.305 -16.932 1.148 153 2HB ASN 20 2HB ASN 20 10.777 -17.001 2.097 154 1HD2 ASN 20 2HD2 ASN 20 9.263 -19.451 0.021 155 2HD2 ASN 20 1HD2 ASN 20 10.568 -19.632 -1.104 156 HA PRO 21 HA PRO 21 10.475 -19.243 6.403 157 1HB PRO 21 1HB PRO 21 12.816 -20.683 6.484 158 2HB PRO 21 2HB PRO 21 11.211 -21.445 6.237 159 1HG PRO 21 1HG PRO 21 13.183 -20.647 4.332 160 2HG PRO 21 2HG PRO 21 12.389 -22.254 4.276 161 1HD PRO 21 1HD PRO 21 11.561 -20.312 2.617 162 2HD PRO 21 2HD PRO 21 10.330 -21.265 3.500 163 H MET 22 H MET 22 12.125 -17.756 3.792 164 HA MET 22 HA MET 22 14.316 -16.798 5.331 165 1HB MET 22 1HB MET 22 13.175 -15.804 2.661 166 2HB MET 22 2HB MET 22 14.781 -15.462 3.273 167 1HG MET 22 1HG MET 22 14.133 -18.365 3.158 168 2HG MET 22 2HG MET 22 14.139 -17.577 1.592 169 1HE MET 22 1HE MET 22 15.761 -18.813 4.535 170 2HE MET 22 2HE MET 22 16.701 -19.737 3.339 171 3HE MET 22 3HE MET 22 17.514 -18.543 4.379 172 H TYR 23 H TYR 23 11.196 -15.562 4.149 173 HA TYR 23 HA TYR 23 11.586 -12.919 5.303 174 1HB TYR 23 1HB TYR 23 10.202 -13.606 3.228 175 2HB TYR 23 2HB TYR 23 8.974 -14.134 4.391 176 HD1 TYR 23 HD1 TYR 23 7.656 -12.547 5.635 177 HD2 TYR 23 HD2 TYR 23 10.811 -11.217 3.040 178 HE1 TYR 23 HE1 TYR 23 6.807 -10.222 5.794 179 HE2 TYR 23 HE2 TYR 23 9.962 -8.893 3.200 180 HH TYR 23 HH TYR 23 8.376 -7.506 4.075 181 H GLU 24 H GLU 24 11.150 -12.311 7.410 182 HA GLU 24 HA GLU 24 9.406 -14.134 8.875 183 1HB GLU 24 1HB GLU 24 11.866 -12.673 9.936 184 2HB GLU 24 2HB GLU 24 10.780 -13.646 10.908 185 1HG GLU 24 1HG GLU 24 11.548 -15.230 8.625 186 2HG GLU 24 2HG GLU 24 13.008 -14.520 9.286 187 H ALA 25 H ALA 25 10.717 -10.785 8.534 188 HA ALA 25 HA ALA 25 8.130 -9.700 9.054 189 1HB ALA 25 1HB ALA 25 10.233 -9.763 11.186 190 2HB ALA 25 2HB ALA 25 8.459 -9.784 11.331 191 3HB ALA 25 3HB ALA 25 9.306 -8.257 10.986 192 HA PRO 26 HA PRO 26 9.690 -6.530 6.495 193 1HB PRO 26 1HB PRO 26 8.426 -4.306 7.550 194 2HB PRO 26 2HB PRO 26 7.577 -5.586 6.623 195 1HG PRO 26 1HG PRO 26 7.867 -5.242 9.458 196 2HG PRO 26 2HG PRO 26 6.290 -5.609 8.687 197 1HD PRO 26 1HD PRO 26 7.644 -7.592 9.859 198 2HD PRO 26 2HD PRO 26 7.002 -7.876 8.213 199 H SER 27 H SER 27 10.726 -4.130 6.727 200 HA SER 27 HA SER 27 12.165 -3.972 9.227 201 1HB SER 27 1HB SER 27 13.350 -5.124 6.959 202 2HB SER 27 2HB SER 27 13.937 -3.473 6.927 203 HG SER 27 HG SER 27 14.458 -3.852 9.303 204 H ILE 28 H ILE 28 10.022 -2.522 7.471 205 HA ILE 28 HA ILE 28 9.561 -0.477 6.705 206 HB ILE 28 HB ILE 28 10.106 1.314 8.365 207 1HG1 ILE 28 1HG1 ILE 28 11.448 -0.933 9.896 208 2HG1 ILE 28 2HG1 ILE 28 12.302 0.355 9.070 209 1HG2 ILE 28 1HG2 ILE 28 8.075 -0.079 8.482 210 2HG2 ILE 28 2HG2 ILE 28 8.948 -1.243 9.509 211 3HG2 ILE 28 3HG2 ILE 28 8.658 0.415 10.090 212 1HD1 ILE 28 1HD1 ILE 28 10.854 1.997 10.465 213 2HD1 ILE 28 2HD1 ILE 28 10.429 0.579 11.453 214 3HD1 ILE 28 3HD1 ILE 28 12.126 1.100 11.327 215 H THR 29 H THR 29 11.429 -1.369 5.043 216 HA THR 29 HA THR 29 12.810 1.011 4.305 217 HB THR 29 HB THR 29 14.323 -1.342 5.526 218 HG1 THR 29 HG1 THR 29 14.022 0.385 6.964 219 1HG2 THR 29 1HG2 THR 29 15.211 0.708 3.470 220 2HG2 THR 29 2HG2 THR 29 16.340 0.212 4.754 221 3HG2 THR 29 3HG2 THR 29 15.691 -0.999 3.622 222 H ASP 30 H ASP 30 10.746 -0.603 3.174 223 HA ASP 30 HA ASP 30 12.172 -1.333 0.769 224 1HB ASP 30 1HB ASP 30 11.835 -3.467 1.956 225 2HB ASP 30 2HB ASP 30 10.141 -3.098 2.210 226 H GLY 31 H GLY 31 9.008 -0.974 2.516 227 1HA GLY 31 1HA GLY 31 7.121 0.123 1.963 228 2HA GLY 31 2HA GLY 31 7.251 -0.729 0.437 229 H LYS 32 H LYS 32 9.110 1.975 2.020 230 HA LYS 32 HA LYS 32 8.204 4.043 0.528 231 1HB LYS 32 1HB LYS 32 10.611 4.957 0.887 232 2HB LYS 32 2HB LYS 32 9.592 4.635 2.274 233 1HG LYS 32 1HG LYS 32 11.078 3.122 3.072 234 2HG LYS 32 2HG LYS 32 10.975 2.188 1.593 235 1HD LYS 32 1HD LYS 32 12.927 3.052 0.752 236 2HD LYS 32 2HD LYS 32 12.563 4.677 1.300 237 1HE LYS 32 1HE LYS 32 13.114 3.889 3.682 238 2HE LYS 32 2HE LYS 32 13.689 2.390 2.980 239 1HZ LYS 32 1HZ LYS 32 14.723 4.778 1.767 240 2HZ LYS 32 2HZ LYS 32 15.197 4.529 3.310 241 3HZ LYS 32 3HZ LYS 32 15.493 3.396 2.172 242 H ILE 33 H ILE 33 11.377 2.457 -0.248 243 HA ILE 33 HA ILE 33 11.640 3.482 -2.751 244 HB ILE 33 HB ILE 33 12.604 1.026 -1.374 245 1HG1 ILE 33 1HG1 ILE 33 14.337 3.009 -2.786 246 2HG1 ILE 33 2HG1 ILE 33 13.493 3.543 -1.346 247 1HG2 ILE 33 1HG2 ILE 33 12.780 1.510 -4.344 248 2HG2 ILE 33 2HG2 ILE 33 14.019 0.581 -3.467 249 3HG2 ILE 33 3HG2 ILE 33 12.327 0.027 -3.470 250 1HD1 ILE 33 1HD1 ILE 33 14.460 1.062 -0.549 251 2HD1 ILE 33 2HD1 ILE 33 15.759 1.661 -1.608 252 3HD1 ILE 33 3HD1 ILE 33 15.240 2.625 -0.205 253 H PHE 34 H PHE 34 10.042 0.350 -1.850 254 HA PHE 34 HA PHE 34 9.304 -0.364 -4.411 255 1HB PHE 34 1HB PHE 34 9.108 -1.916 -2.549 256 2HB PHE 34 2HB PHE 34 8.204 -0.764 -1.586 257 HD1 PHE 34 HD1 PHE 34 5.929 -1.078 -1.382 258 HD2 PHE 34 HD2 PHE 34 7.892 -2.618 -4.815 259 HE1 PHE 34 HE1 PHE 34 3.780 -2.132 -2.138 260 HE2 PHE 34 HE2 PHE 34 5.744 -3.673 -5.570 261 HZ PHE 34 HZ PHE 34 3.714 -3.418 -4.223 262 H PHE 35 H PHE 35 8.167 2.258 -2.433 263 HA PHE 35 HA PHE 35 5.718 2.433 -4.032 264 1HB PHE 35 1HB PHE 35 5.528 2.429 -1.522 265 2HB PHE 35 2HB PHE 35 6.692 3.734 -1.418 266 HD1 PHE 35 HD1 PHE 35 3.365 2.955 -2.913 267 HD2 PHE 35 HD2 PHE 35 5.928 5.918 -1.282 268 HE1 PHE 35 HE1 PHE 35 1.497 4.628 -3.018 269 HE2 PHE 35 HE2 PHE 35 4.061 7.591 -1.387 270 HZ PHE 35 HZ PHE 35 1.867 6.927 -2.254 271 H ASN 36 H ASN 36 8.773 3.293 -4.481 272 HA ASN 36 HA ASN 36 7.981 5.831 -5.622 273 1HB ASN 36 1HB ASN 36 10.385 5.359 -3.795 274 2HB ASN 36 2HB ASN 36 10.326 6.717 -4.902 275 1HD2 ASN 36 2HD2 ASN 36 8.420 5.070 -2.395 276 2HD2 ASN 36 1HD2 ASN 36 7.721 6.484 -1.679 277 H ARG 37 H ARG 37 8.595 2.946 -6.482 278 HA ARG 37 HA ARG 37 11.015 3.434 -8.006 279 1HB ARG 37 1HB ARG 37 10.809 1.323 -6.595 280 2HB ARG 37 2HB ARG 37 9.484 0.812 -7.622 281 1HG ARG 37 1HG ARG 37 10.869 0.334 -9.422 282 2HG ARG 37 2HG ARG 37 11.998 1.618 -9.040 283 1HD ARG 37 1HD ARG 37 12.282 -0.082 -6.845 284 2HD ARG 37 2HD ARG 37 11.999 -1.213 -8.153 285 HE ARG 37 HE ARG 37 14.369 0.430 -7.771 286 1HH1 ARG 37 1HH1 ARG 37 16.066 0.273 -9.293 287 2HH1 ARG 37 2HH1 ARG 37 15.777 -0.445 -10.842 288 1HH2 ARG 37 1HH2 ARG 37 12.378 -1.130 -10.218 289 2HH2 ARG 37 2HH2 ARG 37 13.665 -1.249 -11.372 290 H LYS 38 H LYS 38 10.592 4.316 -10.013 291 HA LYS 38 HA LYS 38 8.067 4.169 -11.227 292 1HB LYS 38 1HB LYS 38 9.489 6.035 -11.667 293 2HB LYS 38 2HB LYS 38 10.800 5.010 -12.215 294 1HG LYS 38 1HG LYS 38 9.051 4.162 -14.012 295 2HG LYS 38 2HG LYS 38 8.179 5.629 -13.611 296 1HD LYS 38 1HD LYS 38 11.084 5.501 -14.553 297 2HD LYS 38 2HD LYS 38 9.717 5.970 -15.544 298 1HE LYS 38 1HE LYS 38 10.675 7.426 -13.033 299 2HE LYS 38 2HE LYS 38 10.920 7.966 -14.682 300 1HZ LYS 38 1HZ LYS 38 8.222 7.458 -14.360 301 2HZ LYS 38 2HZ LYS 38 8.691 8.343 -13.070 302 3HZ LYS 38 3HZ LYS 38 8.949 8.903 -14.582 303 H PHE 39 H PHE 39 7.269 2.107 -11.559 304 HA PHE 39 HA PHE 39 9.002 0.258 -13.007 305 1HB PHE 39 1HB PHE 39 7.110 -1.339 -12.328 306 2HB PHE 39 2HB PHE 39 7.911 -0.586 -10.963 307 HD1 PHE 39 HD1 PHE 39 4.900 -0.366 -13.114 308 HD2 PHE 39 HD2 PHE 39 6.698 0.719 -9.426 309 HE1 PHE 39 HE1 PHE 39 2.689 0.486 -12.286 310 HE2 PHE 39 HE2 PHE 39 4.487 1.571 -8.598 311 HZ PHE 39 HZ PHE 39 2.509 1.444 -10.038 312 H LYS 40 H LYS 40 7.906 -1.112 -14.739 313 HA LYS 40 HA LYS 40 6.193 0.654 -16.334 314 1HB LYS 40 1HB LYS 40 8.596 -0.347 -17.024 315 2HB LYS 40 2HB LYS 40 7.586 -1.672 -17.566 316 1HG LYS 40 1HG LYS 40 6.128 0.084 -18.764 317 2HG LYS 40 2HG LYS 40 7.377 1.257 -18.394 318 1HD LYS 40 1HD LYS 40 8.822 0.418 -19.971 319 2HD LYS 40 2HD LYS 40 8.423 -1.248 -19.601 320 1HE LYS 40 1HE LYS 40 7.598 -0.900 -21.819 321 2HE LYS 40 2HE LYS 40 6.173 -0.850 -20.800 322 1HZ LYS 40 1HZ LYS 40 6.458 1.594 -20.770 323 2HZ LYS 40 2HZ LYS 40 7.630 1.448 -21.897 324 3HZ LYS 40 3HZ LYS 40 6.103 0.986 -22.243 325 H THR 41 H THR 41 4.230 -0.087 -17.167 326 HA THR 41 HA THR 41 3.236 -2.501 -15.853 327 HB THR 41 HB THR 41 1.044 -1.521 -16.330 328 HG1 THR 41 HG1 THR 41 1.257 0.601 -17.635 329 1HG2 THR 41 1HG2 THR 41 3.044 0.698 -15.644 330 2HG2 THR 41 2HG2 THR 41 1.279 0.829 -15.458 331 3HG2 THR 41 3HG2 THR 41 2.193 -0.336 -14.471 332 HA PRO 42 HA PRO 42 3.279 -5.043 -19.362 333 1HB PRO 42 1HB PRO 42 1.019 -6.544 -18.941 334 2HB PRO 42 2HB PRO 42 2.472 -6.664 -17.897 335 1HG PRO 42 1HG PRO 42 -0.169 -4.999 -16.927 336 2HG PRO 42 2HG PRO 42 1.010 -6.308 -16.588 337 1HD PRO 42 1HD PRO 42 1.319 -3.472 -16.124 338 2HD PRO 42 2HD PRO 42 2.587 -4.727 -15.983 339 H SER 43 H SER 43 1.061 -2.483 -18.917 340 HA SER 43 HA SER 43 -0.271 -3.148 -21.417 341 1HB SER 43 1HB SER 43 -2.125 -1.988 -20.683 342 2HB SER 43 2HB SER 43 -1.469 -2.449 -19.125 343 HG SER 43 HG SER 43 -0.227 -0.273 -19.376 344 H GLY 44 H GLY 44 2.553 -2.055 -20.971 345 1HA GLY 44 1HA GLY 44 2.711 -0.307 -23.106 346 2HA GLY 44 2HA GLY 44 3.918 -0.502 -21.850 347 H LYS 45 H LYS 45 3.712 0.798 -19.831 348 HA LYS 45 HA LYS 45 3.379 3.451 -20.292 349 1HB LYS 45 1HB LYS 45 1.117 3.498 -20.673 350 2HB LYS 45 2HB LYS 45 0.785 2.129 -19.631 351 1HG LYS 45 1HG LYS 45 0.709 3.423 -17.702 352 2HG LYS 45 2HG LYS 45 1.898 4.569 -18.288 353 1HD LYS 45 1HD LYS 45 0.320 5.900 -19.311 354 2HD LYS 45 2HD LYS 45 -0.642 4.536 -19.844 355 1HE LYS 45 1HE LYS 45 -1.891 4.457 -17.881 356 2HE LYS 45 2HE LYS 45 -0.569 5.031 -16.884 357 1HZ LYS 45 1HZ LYS 45 -1.938 6.753 -18.823 358 2HZ LYS 45 2HZ LYS 45 -2.405 6.631 -17.263 359 3HZ LYS 45 3HZ LYS 45 -0.923 7.212 -17.629 360 H GLU 46 H GLU 46 4.983 3.954 -18.891 361 HA GLU 46 HA GLU 46 5.448 2.476 -16.581 362 1HB GLU 46 1HB GLU 46 7.155 4.156 -16.090 363 2HB GLU 46 2HB GLU 46 7.178 3.792 -17.804 364 1HG GLU 46 1HG GLU 46 5.452 6.077 -16.833 365 2HG GLU 46 2HG GLU 46 7.184 6.320 -16.941 366 H ALA 47 H ALA 47 5.311 3.193 -14.303 367 HA ALA 47 HA ALA 47 3.746 5.477 -13.653 368 1HB ALA 47 1HB ALA 47 2.352 3.044 -14.276 369 2HB ALA 47 2HB ALA 47 1.687 4.583 -13.677 370 3HB ALA 47 3HB ALA 47 2.219 3.335 -12.525 371 H ALA 48 H ALA 48 3.118 5.187 -11.119 372 HA ALA 48 HA ALA 48 4.998 3.521 -9.720 373 1HB ALA 48 1HB ALA 48 5.396 6.478 -10.090 374 2HB ALA 48 2HB ALA 48 6.601 5.171 -10.002 375 3HB ALA 48 3HB ALA 48 5.805 5.749 -8.519 376 H CYS 49 H CYS 49 4.527 3.455 -7.411 377 HA CYS 49 HA CYS 49 1.788 3.688 -6.904 378 1HB CYS 49 1HB CYS 49 4.061 3.357 -4.934 379 2HB CYS 49 2HB CYS 49 2.364 3.073 -4.604 380 H ALA 50 H ALA 50 4.338 5.990 -7.015 381 HA ALA 50 HA ALA 50 2.982 7.764 -5.119 382 1HB ALA 50 1HB ALA 50 5.269 7.645 -4.583 383 2HB ALA 50 2HB ALA 50 5.161 9.121 -5.571 384 3HB ALA 50 3HB ALA 50 5.766 7.611 -6.292 385 H SER 51 H SER 51 2.583 6.876 -8.221 386 HA SER 51 HA SER 51 2.761 9.401 -9.493 387 1HB SER 51 1HB SER 51 1.765 8.260 -11.416 388 2HB SER 51 2HB SER 51 3.011 7.246 -10.716 389 HG SER 51 HG SER 51 0.820 6.250 -11.279 390 H CYS 52 H CYS 52 0.349 7.580 -7.649 391 HA CYS 52 HA CYS 52 -1.600 9.678 -8.271 392 1HB CYS 52 1HB CYS 52 -2.063 6.757 -7.602 393 2HB CYS 52 2HB CYS 52 -3.335 7.962 -7.584 394 H HIS 53 H HIS 53 -0.227 7.439 -5.889 395 HA HIS 53 HA HIS 53 -1.441 8.888 -3.616 396 1HB HIS 53 1HB HIS 53 0.465 6.484 -3.675 397 2HB HIS 53 2HB HIS 53 -0.492 7.094 -2.257 398 HD1 HIS 53 HD1 HIS 53 -3.190 7.057 -2.813 399 HD2 HIS 53 HD2 HIS 53 -0.741 4.374 -4.880 400 HE1 HIS 53 HE1 HIS 53 -4.737 5.177 -3.659 401 H THR 54 H THR 54 0.808 9.919 -5.604 402 HA THR 54 HA THR 54 2.697 11.103 -5.484 403 HB THR 54 HB THR 54 2.697 12.734 -3.543 404 HG1 THR 54 HG1 THR 54 1.852 11.605 -1.802 405 1HG2 THR 54 1HG2 THR 54 0.569 12.337 -5.453 406 2HG2 THR 54 2HG2 THR 54 -0.173 12.767 -3.893 407 3HG2 THR 54 3HG2 THR 54 1.031 13.849 -4.634 408 H ASN 55 H ASN 55 4.750 11.646 -4.103 409 HA ASN 55 HA ASN 55 6.056 9.305 -3.715 410 1HB ASN 55 1HB ASN 55 7.744 10.719 -2.426 411 2HB ASN 55 2HB ASN 55 7.282 11.398 -3.974 412 1HD2 ASN 55 2HD2 ASN 55 6.402 13.352 -4.083 413 2HD2 ASN 55 1HD2 ASN 55 5.943 14.342 -2.738 414 H ASN 56 H ASN 56 3.858 11.073 -1.600 415 HA ASN 56 HA ASN 56 4.414 9.118 0.483 416 1HB ASN 56 1HB ASN 56 5.088 11.741 0.801 417 2HB ASN 56 2HB ASN 56 3.404 11.848 1.274 418 1HD2 ASN 56 2HD2 ASN 56 3.656 12.187 3.401 419 2HD2 ASN 56 1HD2 ASN 56 4.343 11.060 4.522 420 HA PRO 57 HA PRO 57 0.021 8.532 -0.106 421 1HB PRO 57 1HB PRO 57 -0.389 6.670 1.818 422 2HB PRO 57 2HB PRO 57 0.639 6.315 0.391 423 1HG PRO 57 1HG PRO 57 1.810 7.143 3.187 424 2HG PRO 57 2HG PRO 57 2.045 5.794 2.028 425 1HD PRO 57 1HD PRO 57 3.508 8.188 2.023 426 2HD PRO 57 2HD PRO 57 3.248 7.175 0.570 427 H ALA 58 H ALA 58 1.414 9.084 3.225 428 HA ALA 58 HA ALA 58 -0.952 9.797 4.453 429 1HB ALA 58 1HB ALA 58 1.314 11.386 5.361 430 2HB ALA 58 2HB ALA 58 1.796 9.700 5.057 431 3HB ALA 58 3HB ALA 58 0.464 10.055 6.182 432 H ASN 59 H ASN 59 0.805 11.376 1.909 433 HA ASN 59 HA ASN 59 -0.255 13.958 2.575 434 1HB ASN 59 1HB ASN 59 2.044 13.278 1.345 435 2HB ASN 59 2HB ASN 59 1.038 13.315 -0.089 436 1HD2 ASN 59 2HD2 ASN 59 3.121 15.028 0.164 437 2HD2 ASN 59 1HD2 ASN 59 2.579 16.659 0.378 438 H VAL 60 H VAL 60 -1.278 15.158 0.471 439 HA VAL 60 HA VAL 60 -3.627 13.706 -0.169 440 HB VAL 60 HB VAL 60 -2.472 16.365 -0.993 441 1HG1 VAL 60 1HG1 VAL 60 -5.064 15.071 -1.885 442 2HG1 VAL 60 2HG1 VAL 60 -4.764 16.824 -1.967 443 3HG1 VAL 60 3HG1 VAL 60 -3.745 15.701 -2.900 444 1HG2 VAL 60 1HG2 VAL 60 -3.339 16.012 1.350 445 2HG2 VAL 60 2HG2 VAL 60 -4.144 17.309 0.435 446 3HG2 VAL 60 3HG2 VAL 60 -4.947 15.734 0.641 447 H GLY 61 H GLY 61 -4.197 12.596 -2.020 448 1HA GLY 61 1HA GLY 61 -3.231 11.047 -3.576 449 2HA GLY 61 2HA GLY 61 -2.032 12.252 -4.001 450 H LYS 62 H LYS 62 -3.302 11.218 -6.127 451 HA LYS 62 HA LYS 62 -5.752 12.483 -6.749 452 1HB LYS 62 1HB LYS 62 -4.354 14.492 -6.823 453 2HB LYS 62 2HB LYS 62 -3.252 13.716 -7.943 454 1HG LYS 62 1HG LYS 62 -5.033 13.518 -9.638 455 2HG LYS 62 2HG LYS 62 -6.223 14.138 -8.511 456 1HD LYS 62 1HD LYS 62 -4.556 16.216 -8.355 457 2HD LYS 62 2HD LYS 62 -3.976 15.615 -9.896 458 1HE LYS 62 1HE LYS 62 -6.649 15.517 -10.395 459 2HE LYS 62 2HE LYS 62 -6.649 16.799 -9.200 460 1HZ LYS 62 1HZ LYS 62 -4.574 17.130 -11.091 461 2HZ LYS 62 2HZ LYS 62 -6.033 17.061 -11.821 462 3HZ LYS 62 3HZ LYS 62 -5.753 18.172 -10.657 463 H ASN 63 H ASN 63 -6.716 11.395 -8.433 464 HA ASN 63 HA ASN 63 -5.118 9.260 -9.523 465 1HB ASN 63 1HB ASN 63 -8.115 9.870 -9.724 466 2HB ASN 63 2HB ASN 63 -7.357 8.434 -10.382 467 1HD2 ASN 63 2HD2 ASN 63 -9.419 8.505 -8.450 468 2HD2 ASN 63 1HD2 ASN 63 -8.843 7.795 -6.979 469 H ILE 64 H ILE 64 -4.569 9.154 -11.750 470 HA ILE 64 HA ILE 64 -5.051 11.561 -13.270 471 HB ILE 64 HB ILE 64 -3.401 10.744 -14.759 472 1HG1 ILE 64 1HG1 ILE 64 -3.859 8.075 -13.430 473 2HG1 ILE 64 2HG1 ILE 64 -3.976 8.488 -15.129 474 1HG2 ILE 64 1HG2 ILE 64 -2.913 11.304 -12.130 475 2HG2 ILE 64 2HG2 ILE 64 -2.088 9.740 -12.326 476 3HG2 ILE 64 3HG2 ILE 64 -1.668 11.106 -13.387 477 1HD1 ILE 64 1HD1 ILE 64 -1.363 9.201 -14.609 478 2HD1 ILE 64 2HD1 ILE 64 -1.580 7.821 -13.505 479 3HD1 ILE 64 3HD1 ILE 64 -1.864 7.617 -15.250 480 H VAL 65 H VAL 65 -7.116 9.283 -12.527 481 HA VAL 65 HA VAL 65 -7.865 8.450 -15.202 482 HB VAL 65 HB VAL 65 -8.949 7.874 -12.441 483 1HG1 VAL 65 1HG1 VAL 65 -10.411 7.785 -14.809 484 2HG1 VAL 65 2HG1 VAL 65 -9.873 6.105 -14.572 485 3HG1 VAL 65 3HG1 VAL 65 -10.793 6.934 -13.293 486 1HG2 VAL 65 1HG2 VAL 65 -6.881 6.691 -14.108 487 2HG2 VAL 65 2HG2 VAL 65 -7.296 6.371 -12.407 488 3HG2 VAL 65 3HG2 VAL 65 -8.151 5.509 -13.709 489 H THR 66 H THR 66 -9.450 10.144 -12.396 490 HA THR 66 HA THR 66 -11.052 11.602 -14.395 491 HB THR 66 HB THR 66 -12.878 11.479 -12.865 492 HG1 THR 66 HG1 THR 66 -12.381 11.001 -10.596 493 1HG2 THR 66 1HG2 THR 66 -11.237 8.949 -12.317 494 2HG2 THR 66 2HG2 THR 66 -12.974 9.142 -11.981 495 3HG2 THR 66 3HG2 THR 66 -12.385 9.159 -13.661 496 H GLY 67 H GLY 67 -8.838 11.779 -11.652 497 1HA GLY 67 1HA GLY 67 -8.471 14.602 -12.167 498 2HA GLY 67 2HA GLY 67 -7.549 13.577 -11.085 499 H LYS 68 H LYS 68 -9.347 12.516 -9.313 500 HA LYS 68 HA LYS 68 -10.720 14.872 -8.221 501 1HB LYS 68 1HB LYS 68 -12.056 12.780 -8.933 502 2HB LYS 68 2HB LYS 68 -11.357 12.005 -7.526 503 1HG LYS 68 1HG LYS 68 -12.216 14.473 -6.514 504 2HG LYS 68 2HG LYS 68 -13.466 14.071 -7.676 505 1HD LYS 68 1HD LYS 68 -12.477 12.102 -5.564 506 2HD LYS 68 2HD LYS 68 -13.827 13.186 -5.293 507 1HE LYS 68 1HE LYS 68 -14.719 12.166 -7.597 508 2HE LYS 68 2HE LYS 68 -13.627 10.852 -7.207 509 1HZ LYS 68 1HZ LYS 68 -14.942 11.361 -4.891 510 2HZ LYS 68 2HZ LYS 68 -16.105 11.504 -6.028 511 3HZ LYS 68 3HZ LYS 68 -15.240 10.124 -5.914 512 H GLU 69 H GLU 69 -9.173 15.832 -6.943 513 HA GLU 69 HA GLU 69 -7.073 14.944 -5.748 514 1HB GLU 69 1HB GLU 69 -7.707 16.424 -3.707 515 2HB GLU 69 2HB GLU 69 -7.653 17.183 -5.285 516 1HG GLU 69 1HG GLU 69 -10.279 15.980 -4.443 517 2HG GLU 69 2HG GLU 69 -9.773 17.439 -3.614 518 H ILE 70 H ILE 70 -6.766 12.859 -5.009 519 HA ILE 70 HA ILE 70 -8.767 11.589 -3.402 520 HB ILE 70 HB ILE 70 -6.005 10.791 -4.310 521 1HG1 ILE 70 1HG1 ILE 70 -8.067 11.007 -5.905 522 2HG1 ILE 70 2HG1 ILE 70 -7.005 9.617 -6.011 523 1HG2 ILE 70 1HG2 ILE 70 -6.609 9.788 -2.096 524 2HG2 ILE 70 2HG2 ILE 70 -8.013 9.031 -2.886 525 3HG2 ILE 70 3HG2 ILE 70 -6.364 8.610 -3.408 526 1HD1 ILE 70 1HD1 ILE 70 -9.422 9.528 -4.183 527 2HD1 ILE 70 2HD1 ILE 70 -9.599 9.227 -5.929 528 3HD1 ILE 70 3HD1 ILE 70 -8.547 8.178 -4.948 529 HA PRO 71 HA PRO 71 -7.392 13.134 0.468 530 1HB PRO 71 1HB PRO 71 -8.798 11.381 2.055 531 2HB PRO 71 2HB PRO 71 -9.584 12.687 1.108 532 1HG PRO 71 1HG PRO 71 -9.416 9.728 0.368 533 2HG PRO 71 2HG PRO 71 -10.715 10.965 0.381 534 1HD PRO 71 1HD PRO 71 -9.155 10.272 -1.857 535 2HD PRO 71 2HD PRO 71 -9.971 11.852 -1.649 536 HA PRO 72 HA PRO 72 -3.735 11.103 1.760 537 1HB PRO 72 1HB PRO 72 -5.128 10.847 4.450 538 2HB PRO 72 2HB PRO 72 -3.478 11.420 4.040 539 1HG PRO 72 1HG PRO 72 -5.675 13.266 4.490 540 2HG PRO 72 2HG PRO 72 -4.134 13.345 3.575 541 1HD PRO 72 1HD PRO 72 -6.965 13.149 2.603 542 2HD PRO 72 2HD PRO 72 -5.504 13.698 1.727 543 H LEU 73 H LEU 73 -3.058 8.928 1.679 544 HA LEU 73 HA LEU 73 -5.225 6.986 1.749 545 1HB LEU 73 1HB LEU 73 -4.168 6.441 -0.127 546 2HB LEU 73 2HB LEU 73 -2.711 7.308 0.315 547 HG LEU 73 HG LEU 73 -1.933 5.412 1.642 548 1HD1 LEU 73 1HD1 LEU 73 -4.666 4.636 1.588 549 2HD1 LEU 73 2HD1 LEU 73 -3.721 3.347 0.804 550 3HD1 LEU 73 3HD1 LEU 73 -3.308 3.876 2.453 551 1HD2 LEU 73 1HD2 LEU 73 -1.652 5.621 -0.932 552 2HD2 LEU 73 2HD2 LEU 73 -1.216 4.096 -0.124 553 3HD2 LEU 73 3HD2 LEU 73 -2.763 4.232 -0.995 554 H ALA 74 H ALA 74 -2.377 8.081 3.532 555 HA ALA 74 HA ALA 74 -1.505 6.026 4.944 556 1HB ALA 74 1HB ALA 74 -0.634 8.096 5.553 557 2HB ALA 74 2HB ALA 74 -2.242 8.840 5.728 558 3HB ALA 74 3HB ALA 74 -1.642 7.716 6.970 559 HA PRO 75 HA PRO 75 -5.460 4.268 6.245 560 1HB PRO 75 1HB PRO 75 -3.718 1.890 6.684 561 2HB PRO 75 2HB PRO 75 -5.145 2.106 5.618 562 1HG PRO 75 1HG PRO 75 -2.585 1.924 4.419 563 2HG PRO 75 2HG PRO 75 -4.070 2.834 3.992 564 1HD PRO 75 1HD PRO 75 -1.625 3.764 5.614 565 2HD PRO 75 2HD PRO 75 -2.302 4.500 4.130 566 H ARG 76 H ARG 76 -4.301 6.052 8.037 567 HA ARG 76 HA ARG 76 -4.717 4.678 10.437 568 1HB ARG 76 1HB ARG 76 -2.363 3.957 10.067 569 2HB ARG 76 2HB ARG 76 -1.863 5.625 9.866 570 1HG ARG 76 1HG ARG 76 -2.306 6.156 12.170 571 2HG ARG 76 2HG ARG 76 -3.253 4.701 12.410 572 1HD ARG 76 1HD ARG 76 -0.490 4.140 11.491 573 2HD ARG 76 2HD ARG 76 -0.542 4.990 13.022 574 HE ARG 76 HE ARG 76 -2.444 2.785 12.946 575 1HH1 ARG 76 1HH1 ARG 76 -2.034 0.948 14.243 576 2HH1 ARG 76 2HH1 ARG 76 -0.452 0.687 14.899 577 1HH2 ARG 76 1HH2 ARG 76 0.940 3.594 13.476 578 2HH2 ARG 76 2HH2 ARG 76 1.251 2.202 14.460 579 H VAL 77 H VAL 77 -3.005 7.511 8.931 580 HA VAL 77 HA VAL 77 -3.283 9.346 10.909 581 HB VAL 77 HB VAL 77 -3.435 9.574 7.909 582 1HG1 VAL 77 1HG1 VAL 77 -4.212 11.573 9.813 583 2HG1 VAL 77 2HG1 VAL 77 -2.687 12.074 9.044 584 3HG1 VAL 77 3HG1 VAL 77 -4.107 11.695 8.040 585 1HG2 VAL 77 1HG2 VAL 77 -1.321 8.820 9.157 586 2HG2 VAL 77 2HG2 VAL 77 -1.158 10.169 8.006 587 3HG2 VAL 77 3HG2 VAL 77 -1.225 10.494 9.755 588 H ASN 78 H ASN 78 -5.759 8.224 8.550 589 HA ASN 78 HA ASN 78 -7.670 9.871 10.004 590 1HB ASN 78 1HB ASN 78 -8.250 8.507 7.348 591 2HB ASN 78 2HB ASN 78 -9.008 9.937 8.020 592 1HD2 ASN 78 2HD2 ASN 78 -8.267 10.171 5.534 593 2HD2 ASN 78 1HD2 ASN 78 -6.833 11.119 5.320 594 H THR 79 H THR 79 -9.584 8.820 10.847 595 HA THR 79 HA THR 79 -9.289 5.989 11.278 596 HB THR 79 HB THR 79 -11.789 7.167 12.216 597 HG1 THR 79 HG1 THR 79 -10.913 9.212 12.342 598 1HG2 THR 79 1HG2 THR 79 -9.481 5.708 13.257 599 2HG2 THR 79 2HG2 THR 79 -9.844 7.100 14.305 600 3HG2 THR 79 3HG2 THR 79 -11.100 5.882 13.976 601 H LYS 80 H LYS 80 -10.492 7.833 8.733 602 HA LYS 80 HA LYS 80 -12.625 5.920 8.167 603 1HB LYS 80 1HB LYS 80 -11.924 8.647 7.074 604 2HB LYS 80 2HB LYS 80 -13.054 7.588 6.255 605 1HG LYS 80 1HG LYS 80 -14.538 8.736 7.627 606 2HG LYS 80 2HG LYS 80 -14.155 7.391 8.683 607 1HD LYS 80 1HD LYS 80 -12.488 8.727 9.890 608 2HD LYS 80 2HD LYS 80 -12.643 10.042 8.743 609 1HE LYS 80 1HE LYS 80 -14.023 10.790 10.489 610 2HE LYS 80 2HE LYS 80 -15.193 10.028 9.431 611 1HZ LYS 80 1HZ LYS 80 -13.945 8.300 11.364 612 2HZ LYS 80 2HZ LYS 80 -14.951 9.432 11.975 613 3HZ LYS 80 3HZ LYS 80 -15.501 8.361 10.871 614 H ARG 81 H ARG 81 -10.131 4.732 8.167 615 HA ARG 81 HA ARG 81 -9.870 4.223 5.336 616 1HB ARG 81 1HB ARG 81 -7.536 4.819 7.221 617 2HB ARG 81 2HB ARG 81 -7.332 4.115 5.629 618 1HG ARG 81 1HG ARG 81 -8.995 6.601 5.733 619 2HG ARG 81 2HG ARG 81 -7.299 6.813 6.119 620 1HD ARG 81 1HD ARG 81 -6.586 5.964 3.985 621 2HD ARG 81 2HD ARG 81 -8.153 5.257 3.647 622 HE ARG 81 HE ARG 81 -7.388 8.065 3.287 623 1HH1 ARG 81 1HH1 ARG 81 -8.910 9.461 2.309 624 2HH1 ARG 81 2HH1 ARG 81 -10.563 8.969 2.156 625 1HH2 ARG 81 1HH2 ARG 81 -10.080 5.833 3.687 626 2HH2 ARG 81 2HH2 ARG 81 -11.233 6.891 2.945 627 H PHE 82 H PHE 82 -8.597 2.098 4.961 628 HA PHE 82 HA PHE 82 -8.715 -0.107 5.284 629 1HB PHE 82 1HB PHE 82 -7.225 1.206 7.576 630 2HB PHE 82 2HB PHE 82 -7.509 -0.517 7.721 631 HD1 PHE 82 HD1 PHE 82 -4.957 -0.552 7.764 632 HD2 PHE 82 HD2 PHE 82 -7.189 0.542 4.326 633 HE1 PHE 82 HE1 PHE 82 -2.954 -1.005 6.320 634 HE2 PHE 82 HE2 PHE 82 -5.187 0.090 2.881 635 HZ PHE 82 HZ PHE 82 -3.093 -0.679 3.896 636 H THR 83 H THR 83 -11.200 0.207 5.548 637 HA THR 83 HA THR 83 -12.099 -0.292 8.273 638 HB THR 83 HB THR 83 -13.743 -0.031 5.711 639 HG1 THR 83 HG1 THR 83 -12.659 1.927 7.615 640 1HG2 THR 83 1HG2 THR 83 -14.219 0.421 8.692 641 2HG2 THR 83 2HG2 THR 83 -15.237 1.203 7.458 642 3HG2 THR 83 3HG2 THR 83 -15.176 -0.573 7.567 643 H ASP 84 H ASP 84 -12.825 -1.798 5.051 644 HA ASP 84 HA ASP 84 -13.486 -4.209 6.403 645 1HB ASP 84 1HB ASP 84 -14.608 -3.339 4.292 646 2HB ASP 84 2HB ASP 84 -13.130 -3.684 3.415 647 H ILE 85 H ILE 85 -11.516 -5.022 7.348 648 HA ILE 85 HA ILE 85 -9.099 -5.102 5.854 649 HB ILE 85 HB ILE 85 -9.477 -4.964 8.394 650 1HG1 ILE 85 1HG1 ILE 85 -7.389 -6.896 7.349 651 2HG1 ILE 85 2HG1 ILE 85 -7.289 -5.155 7.181 652 1HG2 ILE 85 1HG2 ILE 85 -10.930 -6.921 8.603 653 2HG2 ILE 85 2HG2 ILE 85 -9.608 -7.971 8.042 654 3HG2 ILE 85 3HG2 ILE 85 -9.456 -7.097 9.585 655 1HD1 ILE 85 1HD1 ILE 85 -7.896 -5.573 9.915 656 2HD1 ILE 85 2HD1 ILE 85 -6.687 -6.814 9.504 657 3HD1 ILE 85 3HD1 ILE 85 -6.325 -5.093 9.229 658 H ASP 86 H ASP 86 -11.977 -6.783 5.520 659 HA ASP 86 HA ASP 86 -10.664 -9.278 4.886 660 1HB ASP 86 1HB ASP 86 -12.931 -9.013 6.162 661 2HB ASP 86 2HB ASP 86 -13.625 -8.639 4.597 662 H LYS 87 H LYS 87 -11.921 -6.326 3.480 663 HA LYS 87 HA LYS 87 -12.057 -7.553 0.826 664 1HB LYS 87 1HB LYS 87 -14.045 -6.311 1.578 665 2HB LYS 87 2HB LYS 87 -13.074 -4.871 1.812 666 1HG LYS 87 1HG LYS 87 -12.406 -5.579 -0.791 667 2HG LYS 87 2HG LYS 87 -14.083 -6.079 -0.709 668 1HD LYS 87 1HD LYS 87 -13.144 -3.318 0.188 669 2HD LYS 87 2HD LYS 87 -13.662 -3.653 -1.452 670 1HE LYS 87 1HE LYS 87 -15.717 -4.758 0.123 671 2HE LYS 87 2HE LYS 87 -15.287 -3.292 0.982 672 1HZ LYS 87 1HZ LYS 87 -15.500 -2.116 -1.144 673 2HZ LYS 87 2HZ LYS 87 -16.031 -3.488 -1.853 674 3HZ LYS 87 3HZ LYS 87 -16.903 -2.796 -0.658 675 H VAL 88 H VAL 88 -10.661 -4.736 2.632 676 HA VAL 88 HA VAL 88 -9.174 -3.606 0.684 677 HB VAL 88 HB VAL 88 -9.423 -3.362 3.375 678 1HG1 VAL 88 1HG1 VAL 88 -7.693 -5.197 3.647 679 2HG1 VAL 88 2HG1 VAL 88 -6.503 -4.061 2.968 680 3HG1 VAL 88 3HG1 VAL 88 -7.341 -3.669 4.489 681 1HG2 VAL 88 1HG2 VAL 88 -8.917 -1.598 1.689 682 2HG2 VAL 88 2HG2 VAL 88 -7.973 -1.432 3.189 683 3HG2 VAL 88 3HG2 VAL 88 -7.209 -2.098 1.726 684 H GLU 89 H GLU 89 -8.764 -6.793 2.140 685 HA GLU 89 HA GLU 89 -6.081 -7.103 1.372 686 1HB GLU 89 1HB GLU 89 -7.059 -8.463 3.156 687 2HB GLU 89 2HB GLU 89 -8.252 -9.129 2.059 688 1HG GLU 89 1HG GLU 89 -5.583 -9.522 0.953 689 2HG GLU 89 2HG GLU 89 -5.633 -10.132 2.595 690 H ASP 90 H ASP 90 -9.254 -8.062 -0.079 691 HA ASP 90 HA ASP 90 -8.076 -9.377 -2.248 692 1HB ASP 90 1HB ASP 90 -10.835 -8.087 -2.008 693 2HB ASP 90 2HB ASP 90 -10.372 -9.247 -3.237 694 H GLU 91 H GLU 91 -9.510 -6.087 -1.701 695 HA GLU 91 HA GLU 91 -9.354 -5.161 -4.265 696 1HB GLU 91 1HB GLU 91 -9.233 -3.821 -1.554 697 2HB GLU 91 2HB GLU 91 -9.041 -2.858 -3.005 698 1HG GLU 91 1HG GLU 91 -11.333 -4.790 -3.009 699 2HG GLU 91 2HG GLU 91 -11.470 -3.441 -1.898 700 H PHE 92 H PHE 92 -6.795 -5.986 -2.074 701 HA PHE 92 HA PHE 92 -4.874 -4.181 -3.203 702 1HB PHE 92 1HB PHE 92 -5.207 -6.097 -1.001 703 2HB PHE 92 2HB PHE 92 -3.707 -6.449 -1.836 704 HD1 PHE 92 HD1 PHE 92 -2.559 -3.948 -2.538 705 HD2 PHE 92 HD2 PHE 92 -4.808 -4.914 0.928 706 HE1 PHE 92 HE1 PHE 92 -1.426 -2.091 -1.285 707 HE2 PHE 92 HE2 PHE 92 -3.676 -3.057 2.181 708 HZ PHE 92 HZ PHE 92 -1.998 -1.668 1.059 709 H THR 93 H THR 93 -6.138 -7.399 -3.879 710 HA THR 93 HA THR 93 -3.823 -8.090 -5.504 711 HB THR 93 HB THR 93 -6.227 -9.458 -4.321 712 HG1 THR 93 HG1 THR 93 -4.420 -10.946 -3.930 713 1HG2 THR 93 1HG2 THR 93 -4.725 -10.456 -6.799 714 2HG2 THR 93 2HG2 THR 93 -5.809 -11.446 -5.795 715 3HG2 THR 93 3HG2 THR 93 -6.462 -10.076 -6.725 716 H LYS 94 H LYS 94 -7.108 -6.805 -5.810 717 HA LYS 94 HA LYS 94 -7.217 -7.320 -8.624 718 1HB LYS 94 1HB LYS 94 -8.955 -5.549 -6.880 719 2HB LYS 94 2HB LYS 94 -9.309 -6.050 -8.521 720 1HG LYS 94 1HG LYS 94 -9.857 -8.214 -7.899 721 2HG LYS 94 2HG LYS 94 -8.672 -8.264 -6.609 722 1HD LYS 94 1HD LYS 94 -10.833 -8.253 -5.542 723 2HD LYS 94 2HD LYS 94 -10.153 -6.658 -5.289 724 1HE LYS 94 1HE LYS 94 -11.593 -6.651 -7.806 725 2HE LYS 94 2HE LYS 94 -12.632 -7.338 -6.573 726 1HZ LYS 94 1HZ LYS 94 -11.591 -5.271 -5.285 727 2HZ LYS 94 2HZ LYS 94 -11.616 -4.670 -6.803 728 3HZ LYS 94 3HZ LYS 94 -12.997 -5.204 -6.114 729 H HIS 95 H HIS 95 -6.220 -4.771 -6.456 730 HA HIS 95 HA HIS 95 -6.052 -2.643 -8.390 731 1HB HIS 95 1HB HIS 95 -6.202 -2.481 -5.858 732 2HB HIS 95 2HB HIS 95 -4.458 -2.986 -5.795 733 HD1 HIS 95 HD1 HIS 95 -5.039 -0.799 -8.596 734 HD2 HIS 95 HD2 HIS 95 -4.298 -0.305 -4.512 735 HE1 HIS 95 HE1 HIS 95 -4.253 1.637 -8.298 736 H CYS 96 H CYS 96 -3.476 -4.680 -6.878 737 HA CYS 96 HA CYS 96 -1.353 -3.819 -8.506 738 1HB CYS 96 1HB CYS 96 -1.955 -6.308 -6.911 739 2HB CYS 96 2HB CYS 96 -0.501 -6.246 -7.939 740 H ASN 97 H ASN 97 -4.099 -5.947 -9.241 741 HA ASN 97 HA ASN 97 -2.748 -7.144 -11.438 742 1HB ASN 97 1HB ASN 97 -5.288 -7.456 -10.019 743 2HB ASN 97 2HB ASN 97 -5.584 -7.408 -11.745 744 1HD2 ASN 97 2HD2 ASN 97 -4.780 -9.318 -9.160 745 2HD2 ASN 97 1HD2 ASN 97 -4.127 -10.704 -9.968 746 H ASP 98 H ASP 98 -4.250 -4.128 -10.756 747 HA ASP 98 HA ASP 98 -4.808 -3.728 -13.590 748 1HB ASP 98 1HB ASP 98 -6.216 -2.915 -11.103 749 2HB ASP 98 2HB ASP 98 -6.010 -1.603 -12.246 750 H ILE 99 H ILE 99 -2.444 -3.333 -11.370 751 HA ILE 99 HA ILE 99 -1.751 -0.643 -12.327 752 HB ILE 99 HB ILE 99 -1.258 -1.856 -9.606 753 1HG1 ILE 99 1HG1 ILE 99 -3.568 -1.014 -10.044 754 2HG1 ILE 99 2HG1 ILE 99 -2.729 -0.187 -8.746 755 1HG2 ILE 99 1HG2 ILE 99 0.228 0.141 -11.045 756 2HG2 ILE 99 2HG2 ILE 99 -0.566 0.877 -9.633 757 3HG2 ILE 99 3HG2 ILE 99 0.506 -0.527 -9.420 758 1HD1 ILE 99 1HD1 ILE 99 -2.300 1.039 -11.418 759 2HD1 ILE 99 2HD1 ILE 99 -3.987 1.077 -10.851 760 3HD1 ILE 99 3HD1 ILE 99 -2.700 1.809 -9.863 761 H LEU 100 H LEU 100 -0.490 -3.790 -11.035 762 HA LEU 100 HA LEU 100 1.974 -3.290 -12.518 763 1HB LEU 100 1HB LEU 100 1.223 -5.212 -10.322 764 2HB LEU 100 2HB LEU 100 2.715 -5.357 -11.230 765 HG LEU 100 HG LEU 100 1.893 -2.965 -9.559 766 1HD1 LEU 100 1HD1 LEU 100 2.761 -5.385 -8.630 767 2HD1 LEU 100 2HD1 LEU 100 4.291 -4.491 -8.803 768 3HD1 LEU 100 3HD1 LEU 100 2.980 -3.826 -7.800 769 1HD2 LEU 100 1HD2 LEU 100 3.861 -3.239 -11.649 770 2HD2 LEU 100 2HD2 LEU 100 3.397 -1.803 -10.704 771 3HD2 LEU 100 3HD2 LEU 100 4.655 -2.904 -10.092 772 H GLY 101 H GLY 101 -0.972 -5.250 -12.452 773 1HA GLY 101 1HA GLY 101 -0.077 -6.522 -14.959 774 2HA GLY 101 2HA GLY 101 -1.734 -6.175 -14.508 775 H ALA 102 H ALA 102 -0.584 -7.104 -11.606 776 HA ALA 102 HA ALA 102 -1.753 -9.672 -11.767 777 1HB ALA 102 1HB ALA 102 0.924 -9.587 -12.597 778 2HB ALA 102 2HB ALA 102 1.000 -10.141 -10.908 779 3HB ALA 102 3HB ALA 102 0.014 -11.030 -12.092 780 H ASP 103 H ASP 103 -0.820 -10.877 -9.497 781 HA ASP 103 HA ASP 103 -1.678 -8.981 -7.542 782 1HB ASP 103 1HB ASP 103 -2.270 -11.532 -7.746 783 2HB ASP 103 2HB ASP 103 -0.708 -11.812 -7.002 784 H CYS 104 H CYS 104 -0.309 -7.878 -6.228 785 HA CYS 104 HA CYS 104 2.506 -7.921 -6.550 786 1HB CYS 104 1HB CYS 104 0.639 -6.778 -4.450 787 2HB CYS 104 2HB CYS 104 2.406 -6.572 -4.357 788 H SER 105 H SER 105 4.160 -8.455 -4.800 789 HA SER 105 HA SER 105 3.729 -11.096 -3.982 790 1HB SER 105 1HB SER 105 5.896 -9.231 -2.939 791 2HB SER 105 2HB SER 105 5.965 -10.977 -3.068 792 HG SER 105 HG SER 105 5.401 -9.818 -5.523 793 HA PRO 106 HA PRO 106 1.767 -10.616 -0.077 794 1HB PRO 106 1HB PRO 106 2.838 -12.816 1.226 795 2HB PRO 106 2HB PRO 106 1.597 -12.924 -0.064 796 1HG PRO 106 1HG PRO 106 4.740 -13.497 -0.598 797 2HG PRO 106 2HG PRO 106 3.091 -14.174 -0.799 798 1HD PRO 106 1HD PRO 106 4.435 -12.416 -2.594 799 2HD PRO 106 2HD PRO 106 2.673 -12.727 -2.569 800 H SER 107 H SER 107 5.302 -10.673 -0.468 801 HA SER 107 HA SER 107 5.695 -9.940 2.273 802 1HB SER 107 1HB SER 107 8.063 -9.964 1.739 803 2HB SER 107 2HB SER 107 7.323 -11.373 1.006 804 HG SER 107 HG SER 107 7.908 -8.884 -0.362 805 H GLU 108 H GLU 108 5.589 -8.446 -0.982 806 HA GLU 108 HA GLU 108 6.618 -5.973 -0.138 807 1HB GLU 108 1HB GLU 108 4.834 -6.511 -2.548 808 2HB GLU 108 2HB GLU 108 5.950 -5.175 -2.344 809 1HG GLU 108 1HG GLU 108 7.123 -7.920 -2.059 810 2HG GLU 108 2HG GLU 108 6.589 -7.478 -3.668 811 H LYS 109 H LYS 109 3.691 -7.559 0.533 812 HA LYS 109 HA LYS 109 2.117 -5.119 0.610 813 1HB LYS 109 1HB LYS 109 1.271 -7.390 -0.226 814 2HB LYS 109 2HB LYS 109 1.255 -7.892 1.452 815 1HG LYS 109 1HG LYS 109 -0.863 -7.020 1.452 816 2HG LYS 109 2HG LYS 109 -0.042 -5.489 1.679 817 1HD LYS 109 1HD LYS 109 -1.579 -5.190 -0.162 818 2HD LYS 109 2HD LYS 109 0.033 -5.221 -0.849 819 1HE LYS 109 1HE LYS 109 -0.412 -7.822 -1.116 820 2HE LYS 109 2HE LYS 109 -2.098 -7.378 -0.936 821 1HZ LYS 109 1HZ LYS 109 -0.482 -5.861 -2.809 822 2HZ LYS 109 2HZ LYS 109 -0.955 -7.363 -3.243 823 3HZ LYS 109 3HZ LYS 109 -2.072 -6.231 -2.874 824 H ALA 110 H ALA 110 2.859 -7.817 2.938 825 HA ALA 110 HA ALA 110 2.095 -6.514 5.211 826 1HB ALA 110 1HB ALA 110 3.443 -8.895 4.480 827 2HB ALA 110 2HB ALA 110 2.783 -8.469 6.077 828 3HB ALA 110 3HB ALA 110 4.478 -8.093 5.686 829 H ASN 111 H ASN 111 4.812 -5.858 3.105 830 HA ASN 111 HA ASN 111 6.339 -4.553 5.106 831 1HB ASN 111 1HB ASN 111 7.089 -5.617 2.792 832 2HB ASN 111 2HB ASN 111 6.622 -4.070 2.114 833 1HD2 ASN 111 2HD2 ASN 111 7.404 -2.149 3.563 834 2HD2 ASN 111 1HD2 ASN 111 9.084 -2.170 3.981 835 H PHE 112 H PHE 112 4.340 -3.582 2.221 836 HA PHE 112 HA PHE 112 4.620 -0.845 2.500 837 1HB PHE 112 1HB PHE 112 3.645 -2.118 0.548 838 2HB PHE 112 2HB PHE 112 2.289 -2.612 1.541 839 HD1 PHE 112 HD1 PHE 112 0.335 -1.531 1.016 840 HD2 PHE 112 HD2 PHE 112 3.973 0.639 0.764 841 HE1 PHE 112 HE1 PHE 112 -0.934 0.513 0.300 842 HE2 PHE 112 HE2 PHE 112 2.704 2.683 0.048 843 HZ PHE 112 HZ PHE 112 0.266 2.596 -0.176 844 H ILE 113 H ILE 113 2.146 -3.103 3.879 845 HA ILE 113 HA ILE 113 0.539 -1.154 5.026 846 HB ILE 113 HB ILE 113 1.026 -4.062 5.440 847 1HG1 ILE 113 1HG1 ILE 113 -1.721 -3.176 5.228 848 2HG1 ILE 113 2HG1 ILE 113 -0.756 -2.458 3.954 849 1HG2 ILE 113 1HG2 ILE 113 0.845 -3.192 7.729 850 2HG2 ILE 113 2HG2 ILE 113 -0.690 -2.398 7.303 851 3HG2 ILE 113 3HG2 ILE 113 -0.569 -4.174 7.275 852 1HD1 ILE 113 1HD1 ILE 113 0.235 -4.920 3.719 853 2HD1 ILE 113 2HD1 ILE 113 -1.286 -5.373 4.523 854 3HD1 ILE 113 3HD1 ILE 113 -1.325 -4.500 2.973 855 H ALA 114 H ALA 114 3.573 -2.706 6.138 856 HA ALA 114 HA ALA 114 3.477 -1.764 8.768 857 1HB ALA 114 1HB ALA 114 5.836 -2.345 8.804 858 2HB ALA 114 2HB ALA 114 4.964 -3.567 7.848 859 3HB ALA 114 3HB ALA 114 5.915 -2.306 7.027 860 H TYR 115 H TYR 115 5.373 -0.546 5.974 861 HA TYR 115 HA TYR 115 6.306 1.817 7.102 862 1HB TYR 115 1HB TYR 115 6.435 0.601 4.658 863 2HB TYR 115 2HB TYR 115 5.413 1.999 4.284 864 HD1 TYR 115 HD1 TYR 115 8.701 0.998 5.738 865 HD2 TYR 115 HD2 TYR 115 6.337 4.160 4.043 866 HE1 TYR 115 HE1 TYR 115 10.716 2.439 5.615 867 HE2 TYR 115 HE2 TYR 115 8.352 5.600 3.920 868 HH TYR 115 HH TYR 115 10.607 5.807 4.974 869 H LEU 116 H LEU 116 3.028 1.057 5.843 870 HA LEU 116 HA LEU 116 2.218 3.779 5.789 871 1HB LEU 116 1HB LEU 116 0.891 1.113 5.539 872 2HB LEU 116 2HB LEU 116 -0.098 2.529 5.834 873 HG LEU 116 HG LEU 116 1.643 1.918 3.449 874 1HD1 LEU 116 1HD1 LEU 116 -0.842 1.203 3.740 875 2HD1 LEU 116 2HD1 LEU 116 -1.191 2.914 3.394 876 3HD1 LEU 116 3HD1 LEU 116 -0.306 1.929 2.205 877 1HD2 LEU 116 1HD2 LEU 116 0.785 4.591 4.478 878 2HD2 LEU 116 2HD2 LEU 116 2.280 4.108 3.642 879 3HD2 LEU 116 3HD2 LEU 116 0.768 4.300 2.722 880 H LEU 117 H LEU 117 2.106 1.095 8.174 881 HA LEU 117 HA LEU 117 0.726 2.835 10.048 882 1HB LEU 117 1HB LEU 117 0.317 0.935 11.322 883 2HB LEU 117 2HB LEU 117 0.109 0.426 9.658 884 HG LEU 117 HG LEU 117 2.732 -0.220 10.056 885 1HD1 LEU 117 1HD1 LEU 117 1.830 0.354 12.636 886 2HD1 LEU 117 2HD1 LEU 117 1.815 -1.422 12.530 887 3HD1 LEU 117 3HD1 LEU 117 3.310 -0.523 12.179 888 1HD2 LEU 117 1HD2 LEU 117 0.846 -1.584 9.101 889 2HD2 LEU 117 2HD2 LEU 117 2.024 -2.491 10.079 890 3HD2 LEU 117 3HD2 LEU 117 0.439 -2.062 10.767 891 H THR 118 H THR 118 3.577 3.247 8.978 892 HA THR 118 HA THR 118 4.890 3.252 11.618 893 HB THR 118 HB THR 118 6.024 2.834 8.804 894 HG1 THR 118 HG1 THR 118 6.609 0.794 9.989 895 1HG2 THR 118 1HG2 THR 118 7.402 4.128 10.797 896 2HG2 THR 118 2HG2 THR 118 7.687 2.435 11.265 897 3HG2 THR 118 3HG2 THR 118 8.177 3.007 9.652 898 H GLU 119 H GLU 119 5.186 4.884 8.387 899 HA GLU 119 HA GLU 119 5.734 7.311 9.861 900 1HB GLU 119 1HB GLU 119 5.939 6.723 6.874 901 2HB GLU 119 2HB GLU 119 6.457 8.206 7.652 902 1HG GLU 119 1HG GLU 119 7.750 6.268 9.180 903 2HG GLU 119 2HG GLU 119 7.783 5.553 7.580 904 H THR 120 H THR 120 3.938 8.462 10.448 905 HA THR 120 HA THR 120 1.921 8.905 8.359 906 HB THR 120 HB THR 120 0.267 8.782 10.398 907 HG1 THR 120 HG1 THR 120 1.911 8.649 12.036 908 1HG2 THR 120 1HG2 THR 120 1.673 6.429 9.094 909 2HG2 THR 120 2HG2 THR 120 0.521 6.131 10.418 910 3HG2 THR 120 3HG2 THR 120 -0.023 6.946 8.932 911 H LYS 121 H LYS 121 3.859 10.695 8.470 912 HA LYS 121 HA LYS 121 2.605 12.876 9.971 913 1HB LYS 121 1HB LYS 121 5.588 12.362 9.773 914 2HB LYS 121 2HB LYS 121 4.840 13.773 10.495 915 1HG LYS 121 1HG LYS 121 3.870 12.495 12.277 916 2HG LYS 121 2HG LYS 121 4.108 10.976 11.436 917 1HD LYS 121 1HD LYS 121 6.350 10.832 12.018 918 2HD LYS 121 2HD LYS 121 6.589 12.568 11.974 919 1HE LYS 121 1HE LYS 121 6.742 11.782 14.298 920 2HE LYS 121 2HE LYS 121 5.327 12.801 14.122 921 1HZ LYS 121 1HZ LYS 121 4.827 10.041 13.598 922 2HZ LYS 121 2HZ LYS 121 5.311 10.333 15.130 923 3HZ LYS 121 3HZ LYS 121 3.994 11.091 14.531 924 HA PRO 122 HA PRO 122 2.310 14.025 5.635 925 1HB PRO 122 1HB PRO 122 0.910 16.307 7.039 926 2HB PRO 122 2HB PRO 122 0.394 15.296 5.650 927 1HG PRO 122 1HG PRO 122 -0.704 14.827 8.152 928 2HG PRO 122 2HG PRO 122 -0.242 13.648 6.881 929 1HD PRO 122 1HD PRO 122 1.284 14.526 9.392 930 2HD PRO 122 2HD PRO 122 0.963 12.866 8.805 931 H THR 123 H THR 123 3.285 15.801 4.390 932 HA THR 123 HA THR 123 4.604 17.901 5.852 933 HB THR 123 HB THR 123 6.161 15.940 6.127 934 HG1 THR 123 HG1 THR 123 7.595 17.600 5.852 935 1HG2 THR 123 1HG2 THR 123 5.456 15.108 3.642 936 2HG2 THR 123 2HG2 THR 123 6.840 16.136 3.197 937 3HG2 THR 123 3HG2 THR 123 7.067 14.771 4.318 938 H LYS 124 H LYS 124 2.598 18.419 4.253 939 HA LYS 124 HA LYS 124 2.817 18.446 1.575 940 1HB LYS 124 1HB LYS 124 1.429 20.449 1.600 941 2HB LYS 124 2HB LYS 124 0.898 19.306 2.816 942 1HG LYS 124 1HG LYS 124 0.997 21.064 4.266 943 2HG LYS 124 2HG LYS 124 2.730 20.805 4.254 944 1HD LYS 124 1HD LYS 124 1.742 22.420 1.961 945 2HD LYS 124 2HD LYS 124 1.467 23.166 3.522 946 1HE LYS 124 1HE LYS 124 3.675 23.661 3.774 947 2HE LYS 124 2HE LYS 124 4.157 22.017 3.407 948 1HZ LYS 124 1HZ LYS 124 3.748 22.610 1.036 949 2HZ LYS 124 2HZ LYS 124 3.608 24.171 1.497 950 3HZ LYS 124 3HZ LYS 124 5.014 23.373 1.730 No H/Q in entry = 950
Contact the webmaster for help, if required. Sunday, May 19, 2024 1:40:33 PM GMT (wattos1)