NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
533475 | 2ky9 | 27741 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -4.617 14.827 -1.902 2 H2 MET 1 H2 MET 1 -4.951 16.486 -1.910 3 H3 MET 1 H3 MET 1 -3.349 15.949 -1.864 4 HA MET 1 HA MET 1 -3.938 16.743 -4.058 5 HB2 MET 1 HB2 MET 1 -3.644 13.708 -4.119 6 HB3 MET 1 HB3 MET 1 -3.076 14.861 -5.321 7 HG2 MET 1 HG2 MET 1 -1.969 14.437 -2.535 8 HG3 MET 1 HG3 MET 1 -1.194 14.031 -4.070 9 HE1 MET 1 HE1 MET 1 1.044 15.349 -3.322 10 HE2 MET 1 HE2 MET 1 0.283 15.734 -1.776 11 HE3 MET 1 HE3 MET 1 1.026 17.013 -2.737 12 H LYS 2 H LYS 2 -5.294 16.585 -5.934 13 HA LYS 2 HA LYS 2 -7.972 15.415 -5.475 14 HB2 LYS 2 HB2 LYS 2 -7.017 17.554 -7.429 15 HB3 LYS 2 HB3 LYS 2 -8.666 16.932 -7.373 16 HG2 LYS 2 HG2 LYS 2 -8.930 17.788 -5.081 17 HG3 LYS 2 HG3 LYS 2 -7.265 18.382 -5.098 18 HD2 LYS 2 HD2 LYS 2 -7.803 19.973 -6.868 19 HD3 LYS 2 HD3 LYS 2 -9.430 19.308 -7.028 20 HE2 LYS 2 HE2 LYS 2 -8.363 20.699 -4.545 21 HE3 LYS 2 HE3 LYS 2 -9.375 21.458 -5.776 22 HZ1 LYS 2 HZ1 LYS 2 -10.135 19.191 -4.010 23 HZ2 LYS 2 HZ2 LYS 2 -11.095 19.788 -5.267 24 HZ3 LYS 2 HZ3 LYS 2 -10.729 20.775 -3.946 25 H VAL 3 H VAL 3 -9.022 14.160 -7.129 26 HA VAL 3 HA VAL 3 -7.386 12.471 -8.729 27 HB VAL 3 HB VAL 3 -10.401 12.892 -8.989 28 HG11 VAL 3 HG11 VAL 3 -10.421 10.606 -9.981 29 HG12 VAL 3 HG12 VAL 3 -8.657 10.564 -9.917 30 HG13 VAL 3 HG13 VAL 3 -9.475 11.735 -10.954 31 HG21 VAL 3 HG21 VAL 3 -8.889 10.874 -7.271 32 HG22 VAL 3 HG22 VAL 3 -10.640 10.926 -7.491 33 HG23 VAL 3 HG23 VAL 3 -9.816 12.256 -6.678 34 H GLY 4 H GLY 4 -6.571 12.797 -10.669 35 HA2 GLY 4 HA2 GLY 4 -6.552 13.551 -12.951 36 HA3 GLY 4 HA3 GLY 4 -7.543 14.925 -12.485 37 H SER 5 H SER 5 -5.411 14.795 -10.021 38 HA SER 5 HA SER 5 -3.754 16.945 -11.051 39 HB2 SER 5 HB2 SER 5 -3.713 15.589 -8.313 40 HB3 SER 5 HB3 SER 5 -2.840 17.065 -8.736 41 HG SER 5 HG SER 5 -4.809 18.115 -8.999 42 H GLN 6 H GLN 6 -1.519 16.990 -11.203 43 HA GLN 6 HA GLN 6 -0.031 14.465 -11.472 44 HB2 GLN 6 HB2 GLN 6 0.709 17.360 -12.120 45 HB3 GLN 6 HB3 GLN 6 1.821 16.010 -12.312 46 HG2 GLN 6 HG2 GLN 6 -0.838 16.104 -13.754 47 HG3 GLN 6 HG3 GLN 6 0.602 16.884 -14.402 48 HE21 GLN 6 HE21 GLN 6 0.622 15.538 -16.224 49 HE22 GLN 6 HE22 GLN 6 1.059 13.872 -16.143 50 H VAL 7 H VAL 7 1.521 13.841 -9.999 51 HA VAL 7 HA VAL 7 2.559 15.724 -7.989 52 HB VAL 7 HB VAL 7 2.331 14.002 -6.157 53 HG11 VAL 7 HG11 VAL 7 -0.048 14.422 -5.643 54 HG12 VAL 7 HG12 VAL 7 -0.317 14.955 -7.303 55 HG13 VAL 7 HG13 VAL 7 0.751 15.878 -6.244 56 HG21 VAL 7 HG21 VAL 7 2.048 11.978 -7.543 57 HG22 VAL 7 HG22 VAL 7 0.473 12.557 -8.086 58 HG23 VAL 7 HG23 VAL 7 0.721 12.140 -6.389 59 H ILE 8 H ILE 8 4.594 15.109 -7.120 60 HA ILE 8 HA ILE 8 6.125 13.092 -8.648 61 HB ILE 8 HB ILE 8 7.199 15.352 -6.895 62 HG12 ILE 8 HG12 ILE 8 5.967 16.281 -8.857 63 HG13 ILE 8 HG13 ILE 8 7.692 16.605 -8.964 64 HG21 ILE 8 HG21 ILE 8 8.810 13.520 -7.110 65 HG22 ILE 8 HG22 ILE 8 9.375 14.918 -8.026 66 HG23 ILE 8 HG23 ILE 8 8.654 13.544 -8.869 67 HD11 ILE 8 HD11 ILE 8 7.931 14.809 -10.604 68 HD12 ILE 8 HD12 ILE 8 6.748 16.011 -11.117 69 HD13 ILE 8 HD13 ILE 8 6.204 14.461 -10.478 70 H ILE 9 H ILE 9 6.684 11.229 -7.605 71 HA ILE 9 HA ILE 9 5.908 10.812 -4.811 72 HB ILE 9 HB ILE 9 7.161 8.801 -6.732 73 HG12 ILE 9 HG12 ILE 9 4.186 9.305 -6.256 74 HG13 ILE 9 HG13 ILE 9 5.069 9.702 -7.724 75 HG21 ILE 9 HG21 ILE 9 6.170 7.074 -5.267 76 HG22 ILE 9 HG22 ILE 9 5.554 8.330 -4.192 77 HG23 ILE 9 HG23 ILE 9 7.294 8.105 -4.379 78 HD11 ILE 9 HD11 ILE 9 4.598 6.915 -6.651 79 HD12 ILE 9 HD12 ILE 9 5.465 7.322 -8.135 80 HD13 ILE 9 HD13 ILE 9 3.746 7.681 -7.990 81 H ASN 10 H ASN 10 7.365 11.070 -3.136 82 HA ASN 10 HA ASN 10 10.259 11.219 -3.731 83 HB2 ASN 10 HB2 ASN 10 10.446 12.297 -1.454 84 HB3 ASN 10 HB3 ASN 10 9.468 13.194 -2.607 85 HD21 ASN 10 HD21 ASN 10 9.397 11.298 0.345 86 HD22 ASN 10 HD22 ASN 10 7.797 11.755 0.817 87 H THR 11 H THR 11 8.146 9.855 -1.154 88 HA THR 11 HA THR 11 10.109 7.726 -0.583 89 HB THR 11 HB THR 11 7.490 8.433 0.838 90 HG1 THR 11 HG1 THR 11 8.675 9.592 2.207 91 HG21 THR 11 HG21 THR 11 9.700 6.529 1.696 92 HG22 THR 11 HG22 THR 11 8.076 6.064 1.184 93 HG23 THR 11 HG23 THR 11 8.301 6.983 2.672 94 H SER 12 H SER 12 9.503 5.486 -0.910 95 HA SER 12 HA SER 12 7.172 4.923 -2.561 96 HB2 SER 12 HB2 SER 12 8.511 4.356 -4.589 97 HB3 SER 12 HB3 SER 12 8.630 6.064 -4.176 98 HG SER 12 HG SER 12 10.569 4.058 -4.075 99 H HIS 13 H HIS 13 6.669 2.828 -2.677 100 HA HIS 13 HA HIS 13 8.060 0.802 -1.182 101 HB2 HIS 13 HB2 HIS 13 5.737 0.475 -3.144 102 HB3 HIS 13 HB3 HIS 13 6.218 -0.672 -1.898 103 HD2 HIS 13 HD2 HIS 13 6.348 2.301 0.149 104 HE1 HIS 13 HE1 HIS 13 2.215 1.498 -0.098 105 HE2 HIS 13 HE2 HIS 13 3.977 3.006 0.901 106 H MET 14 H MET 14 7.462 1.433 -4.636 107 HA MET 14 HA MET 14 9.540 -0.471 -5.489 108 HB2 MET 14 HB2 MET 14 7.555 1.200 -7.099 109 HB3 MET 14 HB3 MET 14 8.765 0.138 -7.819 110 HG2 MET 14 HG2 MET 14 6.504 -0.736 -6.004 111 HG3 MET 14 HG3 MET 14 6.566 -0.930 -7.760 112 HE1 MET 14 HE1 MET 14 7.058 -4.635 -6.543 113 HE2 MET 14 HE2 MET 14 6.118 -3.555 -7.571 114 HE3 MET 14 HE3 MET 14 6.006 -3.421 -5.815 115 H LYS 15 H LYS 15 11.476 0.164 -6.367 116 HA LYS 15 HA LYS 15 12.627 2.695 -5.895 117 HB2 LYS 15 HB2 LYS 15 14.010 0.700 -6.118 118 HB3 LYS 15 HB3 LYS 15 13.451 0.439 -7.765 119 HG2 LYS 15 HG2 LYS 15 14.588 2.593 -8.422 120 HG3 LYS 15 HG3 LYS 15 15.257 2.678 -6.788 121 HD2 LYS 15 HD2 LYS 15 16.471 0.581 -7.141 122 HD3 LYS 15 HD3 LYS 15 15.710 0.372 -8.723 123 HE2 LYS 15 HE2 LYS 15 16.835 2.445 -9.511 124 HE3 LYS 15 HE3 LYS 15 17.626 2.596 -7.940 125 HZ1 LYS 15 HZ1 LYS 15 17.959 0.356 -9.852 126 HZ2 LYS 15 HZ2 LYS 15 18.689 0.460 -8.331 127 HZ3 LYS 15 HZ3 LYS 15 19.083 1.578 -9.535 128 H GLY 16 H GLY 16 11.038 1.354 -8.756 129 HA2 GLY 16 HA2 GLY 16 11.617 3.386 -10.647 130 HA3 GLY 16 HA3 GLY 16 10.293 2.241 -10.732 131 H MET 17 H MET 17 9.742 3.741 -7.872 132 HA MET 17 HA MET 17 7.950 5.763 -9.066 133 HB2 MET 17 HB2 MET 17 7.904 4.581 -6.268 134 HB3 MET 17 HB3 MET 17 6.774 5.782 -6.884 135 HG2 MET 17 HG2 MET 17 6.237 4.035 -8.704 136 HG3 MET 17 HG3 MET 17 7.039 2.884 -7.636 137 HE1 MET 17 HE1 MET 17 4.732 3.208 -4.424 138 HE2 MET 17 HE2 MET 17 6.118 4.246 -4.750 139 HE3 MET 17 HE3 MET 17 6.220 2.513 -5.069 140 H LYS 18 H LYS 18 10.816 5.476 -7.010 141 HA LYS 18 HA LYS 18 10.585 8.047 -5.781 142 HB2 LYS 18 HB2 LYS 18 12.020 6.270 -4.832 143 HB3 LYS 18 HB3 LYS 18 13.078 6.358 -6.235 144 HG2 LYS 18 HG2 LYS 18 13.788 8.599 -5.645 145 HG3 LYS 18 HG3 LYS 18 12.593 8.690 -4.353 146 HD2 LYS 18 HD2 LYS 18 14.838 6.637 -4.350 147 HD3 LYS 18 HD3 LYS 18 15.037 8.252 -3.674 148 HE2 LYS 18 HE2 LYS 18 14.516 6.718 -1.874 149 HE3 LYS 18 HE3 LYS 18 13.143 7.792 -2.106 150 HZ1 LYS 18 HZ1 LYS 18 11.968 6.049 -3.234 151 HZ2 LYS 18 HZ2 LYS 18 12.514 5.469 -1.746 152 HZ3 LYS 18 HZ3 LYS 18 13.311 5.022 -3.166 153 H GLY 19 H GLY 19 10.722 9.930 -6.742 154 HA2 GLY 19 HA2 GLY 19 11.482 11.681 -8.101 155 HA3 GLY 19 HA3 GLY 19 12.586 10.577 -8.901 156 H ALA 20 H ALA 20 9.539 9.154 -8.895 157 HA ALA 20 HA ALA 20 9.139 9.693 -11.729 158 HB1 ALA 20 HB1 ALA 20 7.556 7.872 -9.881 159 HB2 ALA 20 HB2 ALA 20 8.916 7.384 -10.892 160 HB3 ALA 20 HB3 ALA 20 7.420 7.943 -11.640 161 H GLU 21 H GLU 21 7.300 10.555 -12.664 162 HA GLU 21 HA GLU 21 5.677 12.376 -11.021 163 HB2 GLU 21 HB2 GLU 21 6.816 13.299 -13.021 164 HB3 GLU 21 HB3 GLU 21 5.983 12.136 -14.045 165 HG2 GLU 21 HG2 GLU 21 3.814 13.183 -13.452 166 HG3 GLU 21 HG3 GLU 21 4.667 14.364 -12.455 167 H ALA 22 H ALA 22 4.004 11.282 -10.160 168 HA ALA 22 HA ALA 22 2.468 9.274 -11.627 169 HB1 ALA 22 HB1 ALA 22 3.080 8.843 -9.285 170 HB2 ALA 22 HB2 ALA 22 1.331 8.890 -9.483 171 HB3 ALA 22 HB3 ALA 22 2.175 10.268 -8.772 172 H THR 23 H THR 23 0.134 9.363 -11.700 173 HA THR 23 HA THR 23 -1.118 12.056 -11.640 174 HB THR 23 HB THR 23 -1.832 9.796 -13.581 175 HG1 THR 23 HG1 THR 23 -0.022 11.900 -13.765 176 HG21 THR 23 HG21 THR 23 -3.239 11.504 -14.694 177 HG22 THR 23 HG22 THR 23 -2.809 12.678 -13.450 178 HG23 THR 23 HG23 THR 23 -3.758 11.253 -13.024 179 H VAL 24 H VAL 24 -2.766 12.128 -10.200 180 HA VAL 24 HA VAL 24 -3.444 9.824 -8.611 181 HB VAL 24 HB VAL 24 -4.706 12.606 -8.574 182 HG11 VAL 24 HG11 VAL 24 -5.422 12.057 -6.262 183 HG12 VAL 24 HG12 VAL 24 -4.778 10.425 -6.447 184 HG13 VAL 24 HG13 VAL 24 -6.136 10.953 -7.441 185 HG21 VAL 24 HG21 VAL 24 -3.149 13.117 -6.712 186 HG22 VAL 24 HG22 VAL 24 -2.272 12.737 -8.194 187 HG23 VAL 24 HG23 VAL 24 -2.390 11.534 -6.907 188 H THR 25 H THR 25 -4.630 8.280 -9.684 189 HA THR 25 HA THR 25 -6.908 9.013 -11.396 190 HB THR 25 HB THR 25 -6.956 6.611 -12.024 191 HG1 THR 25 HG1 THR 25 -5.784 5.137 -10.992 192 HG21 THR 25 HG21 THR 25 -5.469 8.108 -13.303 193 HG22 THR 25 HG22 THR 25 -4.779 6.486 -13.185 194 HG23 THR 25 HG23 THR 25 -4.157 7.786 -12.166 195 H GLY 26 H GLY 26 -6.343 8.226 -8.146 196 HA2 GLY 26 HA2 GLY 26 -9.166 8.260 -7.551 197 HA3 GLY 26 HA3 GLY 26 -8.397 6.716 -7.196 198 H ALA 27 H ALA 27 -9.598 8.739 -5.378 199 HA ALA 27 HA ALA 27 -7.330 9.013 -3.487 200 HB1 ALA 27 HB1 ALA 27 -9.467 11.129 -3.972 201 HB2 ALA 27 HB2 ALA 27 -7.771 11.245 -4.443 202 HB3 ALA 27 HB3 ALA 27 -8.208 11.199 -2.734 203 H TYR 28 H TYR 28 -7.776 7.810 -1.729 204 HA TYR 28 HA TYR 28 -10.580 7.095 -1.051 205 HB2 TYR 28 HB2 TYR 28 -8.034 5.417 -0.934 206 HB3 TYR 28 HB3 TYR 28 -9.545 4.917 -0.187 207 HD1 TYR 28 HD1 TYR 28 -8.417 6.176 -3.575 208 HD2 TYR 28 HD2 TYR 28 -10.758 3.326 -1.410 209 HE1 TYR 28 HE1 TYR 28 -9.083 5.118 -5.691 210 HE2 TYR 28 HE2 TYR 28 -11.421 2.269 -3.522 211 HH TYR 28 HH TYR 28 -11.622 2.858 -5.907 212 H ASP 29 H ASP 29 -11.242 7.550 0.969 213 HA ASP 29 HA ASP 29 -9.295 8.218 3.091 214 HB2 ASP 29 HB2 ASP 29 -11.243 9.335 4.222 215 HB3 ASP 29 HB3 ASP 29 -10.840 10.033 2.662 216 H THR 30 H THR 30 -8.795 5.997 3.517 217 HA THR 30 HA THR 30 -10.795 4.593 5.203 218 HB THR 30 HB THR 30 -10.877 3.423 3.073 219 HG1 THR 30 HG1 THR 30 -10.154 1.319 3.841 220 HG21 THR 30 HG21 THR 30 -7.870 3.033 3.314 221 HG22 THR 30 HG22 THR 30 -8.689 4.053 2.127 222 HG23 THR 30 HG23 THR 30 -8.908 2.302 2.090 223 H THR 31 H THR 31 -9.775 2.871 6.580 224 HA THR 31 HA THR 31 -7.472 3.919 7.985 225 HB THR 31 HB THR 31 -8.730 1.188 8.516 226 HG1 THR 31 HG1 THR 31 -10.263 2.215 9.800 227 HG21 THR 31 HG21 THR 31 -6.658 1.764 9.769 228 HG22 THR 31 HG22 THR 31 -8.050 1.645 10.843 229 HG23 THR 31 HG23 THR 31 -7.438 3.233 10.374 230 H ALA 32 H ALA 32 -5.386 3.368 7.578 231 HA ALA 32 HA ALA 32 -4.792 1.126 5.725 232 HB1 ALA 32 HB1 ALA 32 -3.240 3.706 6.162 233 HB2 ALA 32 HB2 ALA 32 -4.299 3.362 4.794 234 HB3 ALA 32 HB3 ALA 32 -2.825 2.421 5.022 235 H TYR 33 H TYR 33 -2.816 -0.081 6.175 236 HA TYR 33 HA TYR 33 -1.891 -0.026 8.980 237 HB2 TYR 33 HB2 TYR 33 -3.072 -2.462 7.566 238 HB3 TYR 33 HB3 TYR 33 -2.177 -2.555 9.079 239 HD1 TYR 33 HD1 TYR 33 -3.103 -1.399 11.132 240 HD2 TYR 33 HD2 TYR 33 -5.418 -1.864 7.569 241 HE1 TYR 33 HE1 TYR 33 -5.147 -0.945 12.407 242 HE2 TYR 33 HE2 TYR 33 -7.470 -1.411 8.849 243 HH TYR 33 HH TYR 33 -7.419 -0.143 12.018 244 H VAL 34 H VAL 34 0.058 -0.856 9.385 245 HA VAL 34 HA VAL 34 1.825 -1.778 7.195 246 HB VAL 34 HB VAL 34 2.555 -0.735 9.989 247 HG11 VAL 34 HG11 VAL 34 4.359 -1.400 7.632 248 HG12 VAL 34 HG12 VAL 34 4.219 -2.327 9.127 249 HG13 VAL 34 HG13 VAL 34 4.886 -0.696 9.165 250 HG21 VAL 34 HG21 VAL 34 1.643 1.082 8.586 251 HG22 VAL 34 HG22 VAL 34 2.798 0.698 7.309 252 HG23 VAL 34 HG23 VAL 34 3.371 1.312 8.862 253 H VAL 35 H VAL 35 1.837 -4.011 7.145 254 HA VAL 35 HA VAL 35 1.604 -5.546 9.681 255 HB VAL 35 HB VAL 35 0.486 -7.365 8.423 256 HG11 VAL 35 HG11 VAL 35 -0.908 -5.735 9.601 257 HG12 VAL 35 HG12 VAL 35 -1.716 -6.290 8.135 258 HG13 VAL 35 HG13 VAL 35 -0.950 -4.699 8.171 259 HG21 VAL 35 HG21 VAL 35 1.395 -6.963 6.165 260 HG22 VAL 35 HG22 VAL 35 0.477 -5.461 6.039 261 HG23 VAL 35 HG23 VAL 35 -0.370 -7.008 6.116 262 H SER 36 H SER 36 2.830 -7.411 9.925 263 HA SER 36 HA SER 36 4.947 -7.974 7.917 264 HB2 SER 36 HB2 SER 36 5.916 -7.117 10.015 265 HB3 SER 36 HB3 SER 36 5.051 -8.341 10.944 266 HG SER 36 HG SER 36 7.431 -8.542 9.809 267 H TYR 37 H TYR 37 5.113 -10.073 7.172 268 HA TYR 37 HA TYR 37 3.625 -12.254 8.405 269 HB2 TYR 37 HB2 TYR 37 2.268 -12.746 6.362 270 HB3 TYR 37 HB3 TYR 37 1.817 -11.241 7.139 271 HD1 TYR 37 HD2 TYR 37 2.345 -9.054 6.051 272 HD2 TYR 37 HD1 TYR 37 3.170 -12.756 4.077 273 HE1 TYR 37 HE2 TYR 37 2.537 -7.874 3.914 274 HE2 TYR 37 HE1 TYR 37 3.365 -11.568 1.934 275 HH TYR 37 HH TYR 37 3.605 -8.181 1.735 276 H THR 38 H THR 38 4.019 -14.308 7.465 277 HA THR 38 HA THR 38 6.472 -14.478 5.796 278 HB THR 38 HB THR 38 5.382 -16.682 7.612 279 HG1 THR 38 HG1 THR 38 6.060 -15.098 8.987 280 HG21 THR 38 HG21 THR 38 8.110 -16.359 6.288 281 HG22 THR 38 HG22 THR 38 6.851 -17.482 5.769 282 HG23 THR 38 HG23 THR 38 7.623 -17.689 7.341 283 HA PRO 39 HA PRO 39 3.398 -15.692 2.587 284 HB2 PRO 39 HB2 PRO 39 6.007 -16.488 1.278 285 HB3 PRO 39 HB3 PRO 39 4.627 -15.616 0.595 286 HG2 PRO 39 HG2 PRO 39 6.798 -14.264 1.305 287 HG3 PRO 39 HG3 PRO 39 5.189 -13.604 1.679 288 HD2 PRO 39 HD2 PRO 39 7.159 -14.966 3.508 289 HD3 PRO 39 HD3 PRO 39 6.090 -13.580 3.830 290 H THR 40 H THR 40 2.255 -17.528 2.786 291 HA THR 40 HA THR 40 3.080 -19.864 4.130 292 HB THR 40 HB THR 40 0.860 -20.832 3.249 293 HG1 THR 40 HG1 THR 40 -0.480 -19.181 2.218 294 HG21 THR 40 HG21 THR 40 -0.552 -19.276 4.569 295 HG22 THR 40 HG22 THR 40 0.774 -18.114 4.619 296 HG23 THR 40 HG23 THR 40 0.940 -19.678 5.421 297 H ASN 41 H ASN 41 3.235 -19.124 0.729 298 HA ASN 41 HA ASN 41 3.575 -21.848 -0.207 299 HB2 ASN 41 HB2 ASN 41 4.040 -19.187 -1.613 300 HB3 ASN 41 HB3 ASN 41 4.075 -20.761 -2.405 301 HD21 ASN 41 HD21 ASN 41 2.118 -21.934 -2.599 302 HD22 ASN 41 HD22 ASN 41 0.587 -21.150 -2.477 303 H GLY 42 H GLY 42 5.562 -20.410 1.773 304 HA2 GLY 42 HA2 GLY 42 7.691 -21.089 2.394 305 HA3 GLY 42 HA3 GLY 42 7.904 -21.855 0.830 306 H GLY 43 H GLY 43 7.144 -18.485 1.690 307 HA2 GLY 43 HA2 GLY 43 9.467 -17.542 0.090 308 HA3 GLY 43 HA3 GLY 43 7.984 -16.641 0.361 309 H GLN 44 H GLN 44 10.523 -15.549 0.799 310 HA GLN 44 HA GLN 44 11.358 -15.561 3.510 311 HB2 GLN 44 HB2 GLN 44 12.800 -14.777 1.661 312 HB3 GLN 44 HB3 GLN 44 11.712 -13.427 1.363 313 HG2 GLN 44 HG2 GLN 44 12.242 -12.526 3.612 314 HG3 GLN 44 HG3 GLN 44 13.362 -13.859 3.875 315 HE21 GLN 44 HE21 GLN 44 14.441 -13.802 1.147 316 HE22 GLN 44 HE22 GLN 44 15.417 -12.387 1.046 317 H ARG 45 H ARG 45 10.706 -14.384 5.262 318 HA ARG 45 HA ARG 45 8.116 -13.375 5.464 319 HB2 ARG 45 HB2 ARG 45 9.391 -14.225 7.385 320 HB3 ARG 45 HB3 ARG 45 10.492 -12.856 7.297 321 HG2 ARG 45 HG2 ARG 45 8.655 -11.319 7.891 322 HG3 ARG 45 HG3 ARG 45 7.521 -12.673 7.927 323 HD2 ARG 45 HD2 ARG 45 9.908 -12.278 9.773 324 HD3 ARG 45 HD3 ARG 45 8.206 -12.057 10.201 325 HE ARG 45 HE ARG 45 9.067 -14.691 9.244 326 HH11 ARG 45 HH11 ARG 45 8.019 -12.787 11.929 327 HH12 ARG 45 HH12 ARG 45 7.763 -14.164 12.931 328 HH21 ARG 45 HH21 ARG 45 8.716 -16.419 10.528 329 HH22 ARG 45 HH22 ARG 45 8.146 -16.204 12.141 330 H VAL 46 H VAL 46 7.280 -11.595 4.689 331 HA VAL 46 HA VAL 46 8.837 -9.241 3.966 332 HB VAL 46 HB VAL 46 5.825 -9.689 3.762 333 HG11 VAL 46 HG11 VAL 46 6.464 -7.324 3.560 334 HG12 VAL 46 HG12 VAL 46 5.886 -7.944 2.014 335 HG13 VAL 46 HG13 VAL 46 7.618 -7.720 2.280 336 HG21 VAL 46 HG21 VAL 46 7.936 -10.291 1.648 337 HG22 VAL 46 HG22 VAL 46 6.189 -10.429 1.443 338 HG23 VAL 46 HG23 VAL 46 7.026 -11.490 2.572 339 H ASP 47 H ASP 47 9.352 -7.889 5.599 340 HA ASP 47 HA ASP 47 7.644 -7.707 8.008 341 HB2 ASP 47 HB2 ASP 47 9.989 -8.457 8.332 342 HB3 ASP 47 HB3 ASP 47 10.574 -6.960 7.609 343 H HIS 48 H HIS 48 6.773 -5.812 8.656 344 HA HIS 48 HA HIS 48 5.850 -3.753 8.567 345 HB2 HIS 48 HB2 HIS 48 8.689 -3.024 7.752 346 HB3 HIS 48 HB3 HIS 48 7.457 -1.826 8.133 347 HD1 HIS 48 HD1 HIS 48 9.217 -1.123 10.032 348 HD2 HIS 48 HD2 HIS 48 7.343 -4.790 10.581 349 HE1 HIS 48 HE1 HIS 48 9.595 -1.717 12.442 350 HE2 HIS 48 HE2 HIS 48 8.402 -3.906 12.764 351 H HIS 49 H HIS 49 5.298 -5.308 6.340 352 HA HIS 49 HA HIS 49 5.486 -3.970 3.836 353 HB2 HIS 49 HB2 HIS 49 4.988 -6.376 3.957 354 HB3 HIS 49 HB3 HIS 49 3.491 -6.060 4.818 355 HD2 HIS 49 HD2 HIS 49 1.355 -5.065 3.205 356 HE1 HIS 49 HE1 HIS 49 3.296 -5.947 -0.446 357 HE2 HIS 49 HE2 HIS 49 1.187 -5.056 0.619 358 H LYS 50 H LYS 50 4.245 -2.437 2.941 359 HA LYS 50 HA LYS 50 1.573 -1.818 3.919 360 HB2 LYS 50 HB2 LYS 50 2.020 0.549 4.345 361 HB3 LYS 50 HB3 LYS 50 3.035 -0.446 5.380 362 HG2 LYS 50 HG2 LYS 50 4.979 -0.010 3.939 363 HG3 LYS 50 HG3 LYS 50 3.964 0.914 2.825 364 HD2 LYS 50 HD2 LYS 50 3.455 2.478 4.759 365 HD3 LYS 50 HD3 LYS 50 4.690 1.629 5.689 366 HE2 LYS 50 HE2 LYS 50 6.408 2.323 4.128 367 HE3 LYS 50 HE3 LYS 50 5.204 3.000 3.030 368 HZ1 LYS 50 HZ1 LYS 50 5.763 3.973 5.772 369 HZ2 LYS 50 HZ2 LYS 50 4.645 4.632 4.691 370 HZ3 LYS 50 HZ3 LYS 50 6.294 4.700 4.341 371 H TRP 51 H TRP 51 0.893 -0.338 0.702 372 HA TRP 51 HA TRP 51 0.169 -0.511 3.564 373 HB2 TRP 51 HB2 TRP 51 -1.050 1.152 1.322 374 HB3 TRP 51 HB3 TRP 51 -1.719 1.051 2.950 375 HD1 TRP 51 HD1 TRP 51 0.955 2.823 0.949 376 HE1 TRP 51 HE1 TRP 51 2.195 4.482 2.460 377 HE3 TRP 51 HE3 TRP 51 -0.888 1.336 5.494 378 HZ2 TRP 51 HZ2 TRP 51 2.381 5.088 5.207 379 HZ3 TRP 51 HZ3 TRP 51 -0.120 2.512 7.516 380 HH2 TRP 51 HH2 TRP 51 1.486 4.353 7.370 381 H VAL 52 H VAL 52 -1.438 -1.727 4.248 382 HA VAL 52 HA VAL 52 -3.350 -2.970 2.351 383 HB VAL 52 HB VAL 52 -3.648 -4.858 3.952 384 HG11 VAL 52 HG11 VAL 52 -2.105 -5.159 2.055 385 HG12 VAL 52 HG12 VAL 52 -1.549 -6.071 3.458 386 HG13 VAL 52 HG13 VAL 52 -0.760 -4.552 3.026 387 HG21 VAL 52 HG21 VAL 52 -2.045 -5.234 5.806 388 HG22 VAL 52 HG22 VAL 52 -2.964 -3.748 6.043 389 HG23 VAL 52 HG23 VAL 52 -1.294 -3.668 5.480 390 H ILE 53 H ILE 53 -5.510 -2.767 2.898 391 HA ILE 53 HA ILE 53 -6.116 -0.858 5.091 392 HB ILE 53 HB ILE 53 -7.980 -0.005 3.627 393 HG12 ILE 53 HG12 ILE 53 -6.656 -1.752 1.488 394 HG13 ILE 53 HG13 ILE 53 -8.281 -1.956 2.133 395 HG21 ILE 53 HG21 ILE 53 -5.185 0.254 2.438 396 HG22 ILE 53 HG22 ILE 53 -5.836 1.210 3.772 397 HG23 ILE 53 HG23 ILE 53 -6.533 1.362 2.160 398 HD11 ILE 53 HD11 ILE 53 -8.948 0.172 1.111 399 HD12 ILE 53 HD12 ILE 53 -8.314 -0.960 -0.081 400 HD13 ILE 53 HD13 ILE 53 -7.313 0.378 0.475 401 H GLN 54 H GLN 54 -8.542 -0.880 5.682 402 HA GLN 54 HA GLN 54 -9.307 -3.154 6.945 403 HB2 GLN 54 HB2 GLN 54 -10.923 -0.817 5.918 404 HB3 GLN 54 HB3 GLN 54 -11.725 -2.127 6.777 405 HG2 GLN 54 HG2 GLN 54 -9.419 -0.510 7.913 406 HG3 GLN 54 HG3 GLN 54 -11.128 -0.187 8.226 407 HE21 GLN 54 HE21 GLN 54 -12.319 -1.699 9.442 408 HE22 GLN 54 HE22 GLN 54 -11.547 -2.846 10.473 409 H GLU 55 H GLU 55 -10.493 -2.304 3.649 410 HA GLU 55 HA GLU 55 -12.054 -4.741 3.441 411 HB2 GLU 55 HB2 GLU 55 -12.514 -3.931 1.072 412 HB3 GLU 55 HB3 GLU 55 -13.072 -2.884 2.366 413 HG2 GLU 55 HG2 GLU 55 -10.381 -2.308 1.153 414 HG3 GLU 55 HG3 GLU 55 -11.815 -1.936 0.202 415 H GLU 56 H GLU 56 -8.807 -4.185 3.167 416 HA GLU 56 HA GLU 56 -8.168 -6.000 0.973 417 HB2 GLU 56 HB2 GLU 56 -6.784 -3.925 2.021 418 HB3 GLU 56 HB3 GLU 56 -6.157 -5.159 3.089 419 HG2 GLU 56 HG2 GLU 56 -4.542 -5.138 1.446 420 HG3 GLU 56 HG3 GLU 56 -5.586 -6.422 0.852 421 H ILE 57 H ILE 57 -8.966 -6.201 4.287 422 HA ILE 57 HA ILE 57 -7.560 -8.772 4.783 423 HB ILE 57 HB ILE 57 -8.234 -6.520 6.736 424 HG12 ILE 57 HG12 ILE 57 -5.496 -7.457 5.746 425 HG13 ILE 57 HG13 ILE 57 -6.318 -6.006 5.186 426 HG21 ILE 57 HG21 ILE 57 -6.962 -7.821 8.419 427 HG22 ILE 57 HG22 ILE 57 -6.807 -9.149 7.268 428 HG23 ILE 57 HG23 ILE 57 -8.401 -8.680 7.867 429 HD11 ILE 57 HD11 ILE 57 -5.325 -6.511 7.995 430 HD12 ILE 57 HD12 ILE 57 -6.148 -5.050 7.439 431 HD13 ILE 57 HD13 ILE 57 -4.571 -5.481 6.779 432 H LYS 58 H LYS 58 -8.783 -10.462 5.534 433 HA LYS 58 HA LYS 58 -11.652 -10.386 5.496 434 HB2 LYS 58 HB2 LYS 58 -10.404 -12.384 4.815 435 HB3 LYS 58 HB3 LYS 58 -9.699 -12.536 6.415 436 HG2 LYS 58 HG2 LYS 58 -11.885 -13.091 7.361 437 HG3 LYS 58 HG3 LYS 58 -12.664 -12.815 5.801 438 HD2 LYS 58 HD2 LYS 58 -12.355 -15.224 6.241 439 HD3 LYS 58 HD3 LYS 58 -11.440 -14.708 4.823 440 HE2 LYS 58 HE2 LYS 58 -9.372 -14.640 6.184 441 HE3 LYS 58 HE3 LYS 58 -10.289 -15.145 7.608 442 HZ1 LYS 58 HZ1 LYS 58 -9.150 -16.989 6.566 443 HZ2 LYS 58 HZ2 LYS 58 -9.962 -16.710 5.113 444 HZ3 LYS 58 HZ3 LYS 58 -10.823 -17.204 6.479 445 H ASP 59 H ASP 59 -9.328 -11.101 8.084 446 HA ASP 59 HA ASP 59 -11.210 -11.303 10.195 447 HB2 ASP 59 HB2 ASP 59 -8.187 -10.947 10.289 448 HB3 ASP 59 HB3 ASP 59 -9.194 -11.447 11.654 449 H ALA 60 H ALA 60 -10.052 -8.462 8.717 450 HA ALA 60 HA ALA 60 -9.950 -6.575 10.721 451 HB1 ALA 60 HB1 ALA 60 -11.195 -6.245 7.970 452 HB2 ALA 60 HB2 ALA 60 -9.483 -6.083 8.360 453 HB3 ALA 60 HB3 ALA 60 -10.645 -4.935 9.023 454 H GLY 61 H GLY 61 -12.956 -7.668 9.010 455 HA2 GLY 61 HA2 GLY 61 -15.158 -7.617 9.634 456 HA3 GLY 61 HA3 GLY 61 -14.577 -7.639 11.286 457 H ASP 62 H ASP 62 -13.742 -4.975 9.207 458 HA ASP 62 HA ASP 62 -13.963 -2.756 9.366 459 HB2 ASP 62 HB2 ASP 62 -16.820 -3.438 10.144 460 HB3 ASP 62 HB3 ASP 62 -16.272 -1.801 9.792 461 H LYS 63 H LYS 63 -13.237 -4.326 11.891 462 HA LYS 63 HA LYS 63 -13.701 -2.219 13.929 463 HB2 LYS 63 HB2 LYS 63 -13.113 -3.754 15.607 464 HB3 LYS 63 HB3 LYS 63 -13.923 -4.788 14.439 465 HG2 LYS 63 HG2 LYS 63 -11.732 -5.552 13.594 466 HG3 LYS 63 HG3 LYS 63 -10.911 -4.492 14.737 467 HD2 LYS 63 HD2 LYS 63 -11.922 -5.773 16.616 468 HD3 LYS 63 HD3 LYS 63 -12.694 -6.854 15.450 469 HE2 LYS 63 HE2 LYS 63 -10.642 -7.857 16.365 470 HE3 LYS 63 HE3 LYS 63 -10.476 -7.565 14.635 471 HZ1 LYS 63 HZ1 LYS 63 -9.380 -5.836 16.783 472 HZ2 LYS 63 HZ2 LYS 63 -9.202 -5.575 15.126 473 HZ3 LYS 63 HZ3 LYS 63 -8.492 -6.927 15.847 474 H THR 64 H THR 64 -11.788 -1.387 15.155 475 HA THR 64 HA THR 64 -9.554 -0.740 13.423 476 HB THR 64 HB THR 64 -9.830 -0.112 16.405 477 HG1 THR 64 HG1 THR 64 -10.808 1.765 15.805 478 HG21 THR 64 HG21 THR 64 -7.517 0.158 15.573 479 HG22 THR 64 HG22 THR 64 -8.237 1.733 15.909 480 HG23 THR 64 HG23 THR 64 -8.103 1.166 14.245 481 H LEU 65 H LEU 65 -8.051 -2.264 13.037 482 HA LEU 65 HA LEU 65 -7.350 -4.392 14.838 483 HB2 LEU 65 HB2 LEU 65 -5.916 -3.438 12.332 484 HB3 LEU 65 HB3 LEU 65 -5.698 -4.993 13.118 485 HG LEU 65 HG LEU 65 -8.264 -4.056 11.765 486 HD11 LEU 65 HD11 LEU 65 -7.756 -5.687 10.005 487 HD12 LEU 65 HD12 LEU 65 -6.214 -6.065 10.778 488 HD13 LEU 65 HD13 LEU 65 -6.501 -4.453 10.117 489 HD21 LEU 65 HD21 LEU 65 -9.045 -6.374 12.056 490 HD22 LEU 65 HD22 LEU 65 -8.742 -5.594 13.603 491 HD23 LEU 65 HD23 LEU 65 -7.582 -6.762 12.964 492 H GLN 66 H GLN 66 -6.090 -4.154 16.573 493 HA GLN 66 HA GLN 66 -4.520 -1.751 17.054 494 HB2 GLN 66 HB2 GLN 66 -5.030 -4.191 18.816 495 HB3 GLN 66 HB3 GLN 66 -4.192 -2.735 19.347 496 HG2 GLN 66 HG2 GLN 66 -7.092 -2.911 18.472 497 HG3 GLN 66 HG3 GLN 66 -6.511 -2.769 20.132 498 HE21 GLN 66 HE21 GLN 66 -5.692 -0.751 20.844 499 HE22 GLN 66 HE22 GLN 66 -5.971 0.704 19.960 500 HA PRO 67 HA PRO 67 -0.337 -3.332 16.086 501 HB2 PRO 67 HB2 PRO 67 0.371 -1.965 18.690 502 HB3 PRO 67 HB3 PRO 67 1.192 -1.891 17.122 503 HG2 PRO 67 HG2 PRO 67 -0.357 0.134 17.888 504 HG3 PRO 67 HG3 PRO 67 -0.410 -0.433 16.204 505 HD2 PRO 67 HD2 PRO 67 -2.382 -0.921 18.433 506 HD3 PRO 67 HD3 PRO 67 -2.680 -0.620 16.707 507 H GLY 68 H GLY 68 0.095 -5.417 16.359 508 HA2 GLY 68 HA2 GLY 68 1.006 -7.239 17.685 509 HA3 GLY 68 HA3 GLY 68 0.024 -6.712 19.040 510 H ASP 69 H ASP 69 -2.200 -6.373 16.812 511 HA ASP 69 HA ASP 69 -3.478 -8.920 17.186 512 HB2 ASP 69 HB2 ASP 69 -4.673 -6.692 17.025 513 HB3 ASP 69 HB3 ASP 69 -4.279 -6.648 15.316 514 H GLN 70 H GLN 70 -3.850 -10.569 15.671 515 HA GLN 70 HA GLN 70 -2.237 -10.474 13.189 516 HB2 GLN 70 HB2 GLN 70 -2.162 -13.004 13.327 517 HB3 GLN 70 HB3 GLN 70 -1.246 -12.143 14.558 518 HG2 GLN 70 HG2 GLN 70 -3.014 -12.573 16.205 519 HG3 GLN 70 HG3 GLN 70 -3.965 -13.405 14.970 520 HE21 GLN 70 HE21 GLN 70 -0.951 -13.515 16.792 521 HE22 GLN 70 HE22 GLN 70 -0.735 -15.222 16.684 522 H VAL 71 H VAL 71 -3.148 -10.941 11.300 523 HA VAL 71 HA VAL 71 -5.978 -11.686 11.033 524 HB VAL 71 HB VAL 71 -6.317 -9.744 9.458 525 HG11 VAL 71 HG11 VAL 71 -7.162 -9.564 11.759 526 HG12 VAL 71 HG12 VAL 71 -6.617 -7.991 11.180 527 HG13 VAL 71 HG13 VAL 71 -5.611 -8.914 12.298 528 HG21 VAL 71 HG21 VAL 71 -3.631 -8.753 10.518 529 HG22 VAL 71 HG22 VAL 71 -4.726 -7.823 9.491 530 HG23 VAL 71 HG23 VAL 71 -3.961 -9.284 8.866 531 H ILE 72 H ILE 72 -6.541 -12.353 8.805 532 HA ILE 72 HA ILE 72 -4.207 -13.253 7.212 533 HB ILE 72 HB ILE 72 -7.063 -14.341 7.263 534 HG12 ILE 72 HG12 ILE 72 -5.814 -16.544 7.828 535 HG13 ILE 72 HG13 ILE 72 -4.378 -15.561 8.080 536 HG21 ILE 72 HG21 ILE 72 -4.825 -15.156 5.368 537 HG22 ILE 72 HG22 ILE 72 -6.327 -14.342 4.928 538 HG23 ILE 72 HG23 ILE 72 -6.370 -15.995 5.539 539 HD11 ILE 72 HD11 ILE 72 -5.487 -14.411 9.922 540 HD12 ILE 72 HD12 ILE 72 -5.481 -16.156 10.168 541 HD13 ILE 72 HD13 ILE 72 -6.957 -15.347 9.639 542 H LEU 73 H LEU 73 -3.934 -12.617 5.128 543 HA LEU 73 HA LEU 73 -5.395 -10.271 4.179 544 HB2 LEU 73 HB2 LEU 73 -2.949 -11.671 3.026 545 HB3 LEU 73 HB3 LEU 73 -3.555 -10.092 2.539 546 HG LEU 73 HG LEU 73 -2.420 -10.760 5.293 547 HD11 LEU 73 HD11 LEU 73 -1.155 -9.191 3.027 548 HD12 LEU 73 HD12 LEU 73 -0.668 -10.790 3.596 549 HD13 LEU 73 HD13 LEU 73 -0.485 -9.391 4.650 550 HD21 LEU 73 HD21 LEU 73 -2.498 -8.329 5.719 551 HD22 LEU 73 HD22 LEU 73 -4.107 -8.988 5.442 552 HD23 LEU 73 HD23 LEU 73 -3.299 -8.074 4.165 553 H GLU 74 H GLU 74 -7.088 -10.464 2.817 554 HA GLU 74 HA GLU 74 -7.596 -12.823 1.201 555 HB2 GLU 74 HB2 GLU 74 -9.086 -10.208 1.559 556 HB3 GLU 74 HB3 GLU 74 -9.603 -11.408 0.377 557 HG2 GLU 74 HG2 GLU 74 -9.313 -11.943 3.345 558 HG3 GLU 74 HG3 GLU 74 -10.826 -11.495 2.555 559 H ALA 75 H ALA 75 -6.551 -9.497 0.561 560 HA ALA 75 HA ALA 75 -6.408 -9.917 -2.319 561 HB1 ALA 75 HB1 ALA 75 -5.386 -7.609 -0.637 562 HB2 ALA 75 HB2 ALA 75 -6.977 -7.700 -1.396 563 HB3 ALA 75 HB3 ALA 75 -5.525 -7.636 -2.397 564 H SER 76 H SER 76 -4.335 -9.490 -3.486 565 HA SER 76 HA SER 76 -1.869 -10.094 -2.023 566 HB2 SER 76 HB2 SER 76 -1.188 -11.874 -3.591 567 HB3 SER 76 HB3 SER 76 -2.697 -12.319 -2.806 568 HG SER 76 HG SER 76 -3.475 -11.098 -4.941 569 H HIS 77 H HIS 77 -0.428 -8.599 -2.623 570 HA HIS 77 HA HIS 77 -0.591 -7.178 -5.170 571 HB2 HIS 77 HB2 HIS 77 1.240 -6.829 -2.747 572 HB3 HIS 77 HB3 HIS 77 1.237 -5.775 -4.156 573 HD2 HIS 77 HD2 HIS 77 -1.589 -6.867 -1.536 574 HE1 HIS 77 HE1 HIS 77 -1.908 -2.746 -2.437 575 HE2 HIS 77 HE2 HIS 77 -2.971 -4.692 -1.226 576 H MET 78 H MET 78 0.740 -10.034 -4.161 577 HA MET 78 HA MET 78 2.477 -10.384 -6.416 578 HB2 MET 78 HB2 MET 78 4.558 -10.854 -5.068 579 HB3 MET 78 HB3 MET 78 4.075 -9.164 -5.056 580 HG2 MET 78 HG2 MET 78 3.082 -9.456 -2.818 581 HG3 MET 78 HG3 MET 78 3.584 -11.153 -2.829 582 HE1 MET 78 HE1 MET 78 4.747 -10.533 -0.424 583 HE2 MET 78 HE2 MET 78 4.334 -8.828 -0.618 584 HE3 MET 78 HE3 MET 78 5.995 -9.298 -0.264 585 H LYS 79 H LYS 79 3.747 -12.610 -6.078 586 HA LYS 79 HA LYS 79 1.694 -14.606 -5.591 587 HB2 LYS 79 HB2 LYS 79 4.581 -14.939 -6.523 588 HB3 LYS 79 HB3 LYS 79 3.353 -16.202 -6.533 589 HG2 LYS 79 HG2 LYS 79 2.024 -14.824 -8.153 590 HG3 LYS 79 HG3 LYS 79 3.355 -13.664 -8.206 591 HD2 LYS 79 HD2 LYS 79 3.543 -16.604 -9.007 592 HD3 LYS 79 HD3 LYS 79 3.378 -15.256 -10.133 593 HE2 LYS 79 HE2 LYS 79 5.724 -15.687 -8.243 594 HE3 LYS 79 HE3 LYS 79 5.718 -16.062 -9.965 595 HZ1 LYS 79 HZ1 LYS 79 5.347 -13.701 -10.423 596 HZ2 LYS 79 HZ2 LYS 79 6.783 -13.956 -9.563 597 HZ3 LYS 79 HZ3 LYS 79 5.418 -13.363 -8.767 598 H GLY 80 H GLY 80 1.361 -15.477 -3.622 599 HA2 GLY 80 HA2 GLY 80 2.173 -17.025 -1.917 600 HA3 GLY 80 HA3 GLY 80 3.656 -16.092 -1.821 601 H MET 81 H MET 81 1.189 -13.880 -2.073 602 HA MET 81 HA MET 81 1.562 -13.060 0.689 603 HB2 MET 81 HB2 MET 81 1.738 -11.412 -1.128 604 HB3 MET 81 HB3 MET 81 0.076 -11.728 -1.610 605 HG2 MET 81 HG2 MET 81 -0.736 -10.803 0.499 606 HG3 MET 81 HG3 MET 81 0.925 -10.557 1.051 607 HE1 MET 81 HE1 MET 81 -0.209 -6.887 0.436 608 HE2 MET 81 HE2 MET 81 0.524 -8.022 1.569 609 HE3 MET 81 HE3 MET 81 -1.172 -8.200 1.116 610 H LYS 82 H LYS 82 -1.316 -13.765 -1.356 611 HA LYS 82 HA LYS 82 -3.270 -13.409 0.655 612 HB2 LYS 82 HB2 LYS 82 -3.885 -13.391 -1.710 613 HB3 LYS 82 HB3 LYS 82 -3.389 -15.072 -1.893 614 HG2 LYS 82 HG2 LYS 82 -5.206 -15.763 -0.343 615 HG3 LYS 82 HG3 LYS 82 -5.707 -14.076 -0.194 616 HD2 LYS 82 HD2 LYS 82 -6.276 -14.014 -2.584 617 HD3 LYS 82 HD3 LYS 82 -5.700 -15.673 -2.786 618 HE2 LYS 82 HE2 LYS 82 -8.182 -15.540 -2.619 619 HE3 LYS 82 HE3 LYS 82 -7.477 -16.510 -1.328 620 HZ1 LYS 82 HZ1 LYS 82 -9.228 -14.998 -0.550 621 HZ2 LYS 82 HZ2 LYS 82 -8.310 -13.669 -1.046 622 HZ3 LYS 82 HZ3 LYS 82 -7.742 -14.675 0.189 623 H GLY 83 H GLY 83 -3.961 -14.673 2.313 624 HA2 GLY 83 HA2 GLY 83 -4.554 -16.698 3.384 625 HA3 GLY 83 HA3 GLY 83 -3.468 -17.588 2.328 626 H ALA 84 H ALA 84 -1.557 -15.117 3.134 627 HA ALA 84 HA ALA 84 -0.115 -16.568 5.168 628 HB1 ALA 84 HB1 ALA 84 0.427 -13.805 4.024 629 HB2 ALA 84 HB2 ALA 84 1.075 -15.325 3.405 630 HB3 ALA 84 HB3 ALA 84 1.541 -14.760 5.010 631 H THR 85 H THR 85 0.303 -15.953 7.286 632 HA THR 85 HA THR 85 -1.784 -14.431 8.656 633 HB THR 85 HB THR 85 0.582 -15.976 9.820 634 HG1 THR 85 HG1 THR 85 -1.451 -17.310 10.466 635 HG21 THR 85 HG21 THR 85 -1.848 -14.790 11.232 636 HG22 THR 85 HG22 THR 85 -0.183 -14.228 11.393 637 HG23 THR 85 HG23 THR 85 -0.635 -15.827 11.987 638 H ALA 86 H ALA 86 -1.549 -12.350 9.094 639 HA ALA 86 HA ALA 86 1.083 -11.001 8.944 640 HB1 ALA 86 HB1 ALA 86 -0.149 -9.015 8.136 641 HB2 ALA 86 HB2 ALA 86 -1.669 -9.909 8.229 642 HB3 ALA 86 HB3 ALA 86 -0.424 -10.401 7.080 643 H GLU 87 H GLU 87 1.487 -9.342 10.497 644 HA GLU 87 HA GLU 87 -0.407 -9.141 12.772 645 HB2 GLU 87 HB2 GLU 87 1.530 -10.534 13.454 646 HB3 GLU 87 HB3 GLU 87 2.641 -9.257 12.960 647 HG2 GLU 87 HG2 GLU 87 1.602 -7.768 14.706 648 HG3 GLU 87 HG3 GLU 87 0.625 -9.141 15.232 649 H ILE 88 H ILE 88 -0.884 -7.117 13.383 650 HA ILE 88 HA ILE 88 -0.217 -4.880 11.761 651 HB ILE 88 HB ILE 88 -1.539 -4.830 14.515 652 HG12 ILE 88 HG12 ILE 88 -2.757 -6.404 13.039 653 HG13 ILE 88 HG13 ILE 88 -3.726 -4.980 13.387 654 HG21 ILE 88 HG21 ILE 88 -1.716 -2.811 12.239 655 HG22 ILE 88 HG22 ILE 88 -0.854 -2.594 13.763 656 HG23 ILE 88 HG23 ILE 88 -2.613 -2.727 13.760 657 HD11 ILE 88 HD11 ILE 88 -2.244 -5.538 10.822 658 HD12 ILE 88 HD12 ILE 88 -3.196 -4.090 11.161 659 HD13 ILE 88 HD13 ILE 88 -3.981 -5.666 11.090 660 H ASP 89 H ASP 89 1.842 -4.054 11.818 661 HA ASP 89 HA ASP 89 3.427 -3.770 14.212 662 HB2 ASP 89 HB2 ASP 89 3.806 -2.518 11.454 663 HB3 ASP 89 HB3 ASP 89 5.012 -2.578 12.734 664 H SER 90 H SER 90 1.311 -1.774 12.204 665 HA SER 90 HA SER 90 1.084 0.310 14.218 666 HB2 SER 90 HB2 SER 90 3.124 1.025 13.009 667 HB3 SER 90 HB3 SER 90 2.264 0.960 11.475 668 HG SER 90 HG SER 90 2.248 2.887 13.434 669 H ALA 91 H ALA 91 -0.831 1.405 14.077 670 HA ALA 91 HA ALA 91 -2.690 0.835 11.841 671 HB1 ALA 91 HB1 ALA 91 -4.493 1.459 13.415 672 HB2 ALA 91 HB2 ALA 91 -3.294 1.802 14.667 673 HB3 ALA 91 HB3 ALA 91 -3.504 0.154 14.073 674 H GLU 92 H GLU 92 -3.424 2.562 10.580 675 HA GLU 92 HA GLU 92 -2.357 5.266 11.201 676 HB2 GLU 92 HB2 GLU 92 -0.794 4.054 9.735 677 HB3 GLU 92 HB3 GLU 92 -2.083 3.710 8.595 678 HG2 GLU 92 HG2 GLU 92 -0.695 5.474 7.729 679 HG3 GLU 92 HG3 GLU 92 -2.288 6.123 8.108 680 H LYS 93 H LYS 93 -3.660 6.963 10.712 681 HA LYS 93 HA LYS 93 -6.006 6.600 8.929 682 HB2 LYS 93 HB2 LYS 93 -5.495 8.524 11.232 683 HB3 LYS 93 HB3 LYS 93 -6.773 8.806 10.054 684 HG2 LYS 93 HG2 LYS 93 -6.558 6.355 11.836 685 HG3 LYS 93 HG3 LYS 93 -7.588 7.759 12.143 686 HD2 LYS 93 HD2 LYS 93 -8.772 7.309 9.977 687 HD3 LYS 93 HD3 LYS 93 -7.796 5.849 9.777 688 HE2 LYS 93 HE2 LYS 93 -8.770 4.910 11.831 689 HE3 LYS 93 HE3 LYS 93 -9.703 6.390 12.082 690 HZ1 LYS 93 HZ1 LYS 93 -10.902 5.967 10.060 691 HZ2 LYS 93 HZ2 LYS 93 -11.002 4.610 11.066 692 HZ3 LYS 93 HZ3 LYS 93 -9.961 4.600 9.735 693 H THR 94 H THR 94 -5.106 6.990 6.971 694 HA THR 94 HA THR 94 -3.982 9.655 6.387 695 HB THR 94 HB THR 94 -2.048 8.137 6.634 696 HG1 THR 94 HG1 THR 94 -1.081 8.859 4.851 697 HG21 THR 94 HG21 THR 94 -3.277 6.487 4.392 698 HG22 THR 94 HG22 THR 94 -3.138 5.984 6.078 699 HG23 THR 94 HG23 THR 94 -1.683 6.240 5.116 700 H THR 95 H THR 95 -4.197 10.280 4.117 701 HA THR 95 HA THR 95 -6.441 9.001 2.714 702 HB THR 95 HB THR 95 -4.780 11.384 1.738 703 HG1 THR 95 HG1 THR 95 -6.010 12.676 2.925 704 HG21 THR 95 HG21 THR 95 -7.597 10.464 1.019 705 HG22 THR 95 HG22 THR 95 -6.170 10.303 -0.009 706 HG23 THR 95 HG23 THR 95 -6.792 11.905 0.390 707 H VAL 96 H VAL 96 -6.077 7.419 1.211 708 HA VAL 96 HA VAL 96 -3.309 6.977 0.246 709 HB VAL 96 HB VAL 96 -3.993 4.563 -0.136 710 HG11 VAL 96 HG11 VAL 96 -4.060 5.507 2.753 711 HG12 VAL 96 HG12 VAL 96 -2.612 5.204 1.789 712 HG13 VAL 96 HG13 VAL 96 -3.686 3.868 2.207 713 HG21 VAL 96 HG21 VAL 96 -6.446 4.798 -0.128 714 HG22 VAL 96 HG22 VAL 96 -6.416 5.282 1.569 715 HG23 VAL 96 HG23 VAL 96 -5.934 3.646 1.109 716 H TYR 97 H TYR 97 -2.980 6.876 -1.893 717 HA TYR 97 HA TYR 97 -5.214 7.590 -3.673 718 HB2 TYR 97 HB2 TYR 97 -2.258 8.327 -3.897 719 HB3 TYR 97 HB3 TYR 97 -3.528 8.835 -5.005 720 HD1 TYR 97 HD2 TYR 97 -5.278 10.472 -4.226 721 HD2 TYR 97 HD1 TYR 97 -1.912 9.495 -1.778 722 HE1 TYR 97 HE2 TYR 97 -5.693 12.468 -2.855 723 HE2 TYR 97 HE1 TYR 97 -2.333 11.495 -0.401 724 HH TYR 97 HH TYR 97 -3.436 13.579 -0.458 725 H MET 98 H MET 98 -5.532 6.482 -5.473 726 HA MET 98 HA MET 98 -3.734 4.339 -6.378 727 HB2 MET 98 HB2 MET 98 -6.158 3.869 -6.252 728 HB3 MET 98 HB3 MET 98 -6.507 5.261 -7.267 729 HG2 MET 98 HG2 MET 98 -5.430 4.183 -9.166 730 HG3 MET 98 HG3 MET 98 -4.976 2.810 -8.154 731 HE1 MET 98 HE1 MET 98 -8.433 4.713 -7.855 732 HE2 MET 98 HE2 MET 98 -9.406 3.835 -9.033 733 HE3 MET 98 HE3 MET 98 -8.072 4.853 -9.577 734 H VAL 99 H VAL 99 -2.200 4.860 -7.925 735 HA VAL 99 HA VAL 99 -2.546 7.350 -9.526 736 HB VAL 99 HB VAL 99 -0.109 7.849 -9.220 737 HG11 VAL 99 HG11 VAL 99 -1.693 7.781 -6.619 738 HG12 VAL 99 HG12 VAL 99 -1.767 9.042 -7.852 739 HG13 VAL 99 HG13 VAL 99 -0.278 8.790 -6.941 740 HG21 VAL 99 HG21 VAL 99 -0.158 5.632 -7.119 741 HG22 VAL 99 HG22 VAL 99 1.179 6.750 -7.396 742 HG23 VAL 99 HG23 VAL 99 0.725 5.595 -8.648 743 H ASP 100 H ASP 100 -1.401 7.535 -11.486 744 HA ASP 100 HA ASP 100 -0.407 5.072 -12.783 745 HB2 ASP 100 HB2 ASP 100 -2.380 6.154 -13.840 746 HB3 ASP 100 HB3 ASP 100 -1.516 7.682 -13.927 747 H TYR 101 H TYR 101 1.819 5.003 -12.926 748 HA TYR 101 HA TYR 101 3.352 7.511 -13.347 749 HB2 TYR 101 HB2 TYR 101 5.019 6.920 -11.699 750 HB3 TYR 101 HB3 TYR 101 3.459 6.800 -10.900 751 HD1 TYR 101 HD1 TYR 101 2.523 4.503 -10.334 752 HD2 TYR 101 HD2 TYR 101 6.443 4.967 -11.972 753 HE1 TYR 101 HE1 TYR 101 3.085 2.199 -9.670 754 HE2 TYR 101 HE2 TYR 101 6.995 2.673 -11.316 755 HH TYR 101 HH TYR 101 4.637 0.426 -10.253 756 H THR 102 H THR 102 5.576 7.094 -14.182 757 HA THR 102 HA THR 102 5.817 4.591 -15.762 758 HB THR 102 HB THR 102 7.375 7.200 -16.102 759 HG1 THR 102 HG1 THR 102 5.806 7.780 -17.393 760 HG21 THR 102 HG21 THR 102 7.330 4.704 -17.857 761 HG22 THR 102 HG22 THR 102 8.688 5.240 -16.863 762 HG23 THR 102 HG23 THR 102 8.161 6.209 -18.239 763 H SER 103 H SER 103 7.054 3.080 -14.822 764 HA SER 103 HA SER 103 8.702 3.329 -12.583 765 HB2 SER 103 HB2 SER 103 8.805 1.212 -14.781 766 HB3 SER 103 HB3 SER 103 9.599 1.072 -13.210 767 HG SER 103 HG SER 103 7.444 1.293 -12.287 768 H THR 104 H THR 104 10.204 4.923 -12.658 769 HA THR 104 HA THR 104 11.790 5.767 -14.792 770 HB THR 104 HB THR 104 13.208 6.899 -13.031 771 HG1 THR 104 HG1 THR 104 11.546 6.257 -10.947 772 HG21 THR 104 HG21 THR 104 11.413 8.356 -12.159 773 HG22 THR 104 HG22 THR 104 10.203 7.166 -12.639 774 HG23 THR 104 HG23 THR 104 11.156 7.999 -13.869 775 H THR 105 H THR 105 12.401 3.124 -12.548 776 HA THR 105 HA THR 105 15.159 2.733 -12.896 777 HB THR 105 HB THR 105 13.019 0.618 -12.355 778 HG1 THR 105 HG1 THR 105 13.288 1.143 -10.213 779 HG21 THR 105 HG21 THR 105 14.819 -0.626 -11.184 780 HG22 THR 105 HG22 THR 105 15.993 0.587 -11.698 781 HG23 THR 105 HG23 THR 105 15.193 -0.428 -12.899 782 H SER 106 H SER 106 12.427 1.622 -14.906 783 HA SER 106 HA SER 106 14.291 0.264 -16.806 784 HB2 SER 106 HB2 SER 106 12.325 -1.120 -17.475 785 HB3 SER 106 HB3 SER 106 12.672 -1.270 -15.752 786 HG SER 106 HG SER 106 10.447 -0.974 -16.088 787 H GLY 107 H GLY 107 11.283 2.132 -16.673 788 HA2 GLY 107 HA2 GLY 107 10.866 4.022 -18.175 789 HA3 GLY 107 HA3 GLY 107 11.620 3.088 -19.464 790 H GLU 108 H GLU 108 9.669 1.306 -17.291 791 HA GLU 108 HA GLU 108 7.684 0.726 -19.351 792 HB2 GLU 108 HB2 GLU 108 8.715 -1.132 -18.041 793 HB3 GLU 108 HB3 GLU 108 8.001 -0.493 -16.568 794 HG2 GLU 108 HG2 GLU 108 6.729 -2.412 -17.397 795 HG3 GLU 108 HG3 GLU 108 5.745 -0.949 -17.436 796 H LYS 109 H LYS 109 5.554 1.121 -19.250 797 HA LYS 109 HA LYS 109 4.532 3.241 -17.518 798 HB2 LYS 109 HB2 LYS 109 2.417 2.835 -19.086 799 HB3 LYS 109 HB3 LYS 109 3.841 3.661 -19.712 800 HG2 LYS 109 HG2 LYS 109 4.614 1.627 -20.790 801 HG3 LYS 109 HG3 LYS 109 3.297 0.697 -20.080 802 HD2 LYS 109 HD2 LYS 109 1.672 1.726 -21.484 803 HD3 LYS 109 HD3 LYS 109 2.775 3.025 -21.954 804 HE2 LYS 109 HE2 LYS 109 2.376 1.191 -23.698 805 HE3 LYS 109 HE3 LYS 109 4.057 1.583 -23.346 806 HZ1 LYS 109 HZ1 LYS 109 4.182 -0.361 -21.909 807 HZ2 LYS 109 HZ2 LYS 109 3.716 -0.799 -23.475 808 HZ3 LYS 109 HZ3 LYS 109 2.566 -0.738 -22.239 809 H VAL 110 H VAL 110 3.573 2.793 -15.632 810 HA VAL 110 HA VAL 110 1.990 0.301 -15.248 811 HB VAL 110 HB VAL 110 3.569 1.822 -13.110 812 HG11 VAL 110 HG11 VAL 110 1.576 0.746 -12.146 813 HG12 VAL 110 HG12 VAL 110 3.033 -0.097 -11.619 814 HG13 VAL 110 HG13 VAL 110 2.022 -0.794 -12.887 815 HG21 VAL 110 HG21 VAL 110 5.083 -0.150 -13.052 816 HG22 VAL 110 HG22 VAL 110 5.107 0.644 -14.628 817 HG23 VAL 110 HG23 VAL 110 4.206 -0.858 -14.413 818 H LYS 111 H LYS 111 -0.103 0.557 -14.574 819 HA LYS 111 HA LYS 111 -1.037 3.245 -13.732 820 HB2 LYS 111 HB2 LYS 111 -3.251 2.728 -14.713 821 HB3 LYS 111 HB3 LYS 111 -1.982 2.757 -15.921 822 HG2 LYS 111 HG2 LYS 111 -2.997 0.154 -14.744 823 HG3 LYS 111 HG3 LYS 111 -3.804 0.943 -16.105 824 HD2 LYS 111 HD2 LYS 111 -1.665 0.846 -17.392 825 HD3 LYS 111 HD3 LYS 111 -0.913 -0.010 -16.042 826 HE2 LYS 111 HE2 LYS 111 -1.579 -1.596 -17.774 827 HE3 LYS 111 HE3 LYS 111 -2.550 -1.855 -16.326 828 HZ1 LYS 111 HZ1 LYS 111 -3.918 -1.941 -18.279 829 HZ2 LYS 111 HZ2 LYS 111 -3.401 -0.412 -18.777 830 HZ3 LYS 111 HZ3 LYS 111 -4.338 -0.573 -17.380 831 H ASN 112 H ASN 112 -3.059 3.193 -12.512 832 HA ASN 112 HA ASN 112 -4.050 2.923 -10.521 833 HB2 ASN 112 HB2 ASN 112 -5.456 0.882 -10.345 834 HB3 ASN 112 HB3 ASN 112 -5.519 1.657 -11.913 835 HD21 ASN 112 HD21 ASN 112 -3.081 -0.702 -10.729 836 HD22 ASN 112 HD22 ASN 112 -3.471 -1.901 -11.893 837 H HIS 113 H HIS 113 -1.312 2.679 -10.068 838 HA HIS 113 HA HIS 113 -0.534 0.521 -8.441 839 HB2 HIS 113 HB2 HIS 113 1.140 2.063 -9.359 840 HB3 HIS 113 HB3 HIS 113 0.485 3.395 -8.405 841 HD2 HIS 113 HD2 HIS 113 1.387 3.557 -5.807 842 HE1 HIS 113 HE1 HIS 113 3.555 -0.071 -5.803 843 HE2 HIS 113 HE2 HIS 113 2.787 1.894 -4.407 844 H LYS 114 H LYS 114 -0.777 0.040 -6.330 845 HA LYS 114 HA LYS 114 -2.201 1.872 -4.490 846 HB2 LYS 114 HB2 LYS 114 -2.950 -1.035 -5.074 847 HB3 LYS 114 HB3 LYS 114 -3.680 -0.047 -3.808 848 HG2 LYS 114 HG2 LYS 114 -4.697 1.419 -5.428 849 HG3 LYS 114 HG3 LYS 114 -3.782 0.686 -6.748 850 HD2 LYS 114 HD2 LYS 114 -5.017 -1.466 -6.320 851 HD3 LYS 114 HD3 LYS 114 -6.015 -0.607 -5.137 852 HE2 LYS 114 HE2 LYS 114 -6.794 0.926 -6.905 853 HE3 LYS 114 HE3 LYS 114 -5.766 0.110 -8.085 854 HZ1 LYS 114 HZ1 LYS 114 -8.014 -0.644 -8.269 855 HZ2 LYS 114 HZ2 LYS 114 -8.060 -1.070 -6.632 856 HZ3 LYS 114 HZ3 LYS 114 -7.051 -1.908 -7.695 857 H TRP 115 H TRP 115 -0.401 0.465 -1.742 858 HA TRP 115 HA TRP 115 -1.825 2.714 -3.056 859 HB2 TRP 115 HB2 TRP 115 -1.723 1.935 -0.107 860 HB3 TRP 115 HB3 TRP 115 -2.539 3.364 -0.736 861 HD1 TRP 115 HD1 TRP 115 -3.123 -0.297 -0.074 862 HE1 TRP 115 HE1 TRP 115 -5.459 -0.971 -0.917 863 HE3 TRP 115 HE3 TRP 115 -4.273 3.910 -2.763 864 HZ2 TRP 115 HZ2 TRP 115 -7.510 0.122 -2.511 865 HZ3 TRP 115 HZ3 TRP 115 -6.440 4.010 -3.923 866 HH2 TRP 115 HH2 TRP 115 -8.027 2.153 -3.798 867 H VAL 116 H VAL 116 -1.181 4.849 -2.596 868 HA VAL 116 HA VAL 116 1.447 5.277 -1.255 869 HB VAL 116 HB VAL 116 1.819 7.262 -2.792 870 HG11 VAL 116 HG11 VAL 116 2.641 5.948 -4.724 871 HG12 VAL 116 HG12 VAL 116 1.708 4.554 -4.173 872 HG13 VAL 116 HG13 VAL 116 3.037 5.169 -3.189 873 HG21 VAL 116 HG21 VAL 116 -0.508 7.595 -3.545 874 HG22 VAL 116 HG22 VAL 116 -0.464 6.059 -4.410 875 HG23 VAL 116 HG23 VAL 116 0.572 7.392 -4.929 876 H THR 117 H THR 117 1.584 7.096 0.099 877 HA THR 117 HA THR 117 -1.048 8.273 0.852 878 HB THR 117 HB THR 117 -0.139 8.551 3.136 879 HG1 THR 117 HG1 THR 117 2.161 7.182 2.131 880 HG21 THR 117 HG21 THR 117 -0.052 6.177 3.774 881 HG22 THR 117 HG22 THR 117 0.200 5.724 2.087 882 HG23 THR 117 HG23 THR 117 -1.327 6.460 2.587 883 H GLU 118 H GLU 118 -0.924 10.390 1.998 884 HA GLU 118 HA GLU 118 0.111 12.450 0.419 885 HB2 GLU 118 HB2 GLU 118 -0.639 12.594 3.369 886 HB3 GLU 118 HB3 GLU 118 -0.526 13.962 2.268 887 HG2 GLU 118 HG2 GLU 118 -2.374 12.894 0.909 888 HG3 GLU 118 HG3 GLU 118 -2.551 11.714 2.205 889 H ASP 119 H ASP 119 1.472 10.895 3.293 890 HA ASP 119 HA ASP 119 3.739 12.475 3.806 891 HB2 ASP 119 HB2 ASP 119 3.011 10.778 5.387 892 HB3 ASP 119 HB3 ASP 119 3.206 9.497 4.196 893 H GLU 120 H GLU 120 3.254 9.834 1.503 894 HA GLU 120 HA GLU 120 6.077 9.626 0.792 895 HB2 GLU 120 HB2 GLU 120 3.627 8.082 -0.167 896 HB3 GLU 120 HB3 GLU 120 5.297 7.691 -0.581 897 HG2 GLU 120 HG2 GLU 120 5.797 7.244 1.778 898 HG3 GLU 120 HG3 GLU 120 4.153 7.686 2.230 899 H LEU 121 H LEU 121 3.705 11.729 -0.187 900 HA LEU 121 HA LEU 121 4.611 11.837 -3.011 901 HB2 LEU 121 HB2 LEU 121 1.852 12.558 -1.935 902 HB3 LEU 121 HB3 LEU 121 2.371 12.746 -3.605 903 HG LEU 121 HG LEU 121 1.965 10.114 -2.123 904 HD11 LEU 121 HD11 LEU 121 -0.129 11.229 -2.740 905 HD12 LEU 121 HD12 LEU 121 0.106 9.754 -3.673 906 HD13 LEU 121 HD13 LEU 121 0.399 11.328 -4.423 907 HD21 LEU 121 HD21 LEU 121 2.857 10.534 -4.997 908 HD22 LEU 121 HD22 LEU 121 2.441 8.985 -4.256 909 HD23 LEU 121 HD23 LEU 121 3.840 9.885 -3.680 910 H SER 122 H SER 122 4.939 13.831 -3.907 911 HA SER 122 HA SER 122 4.680 16.311 -2.285 912 HB2 SER 122 HB2 SER 122 6.755 15.801 -4.487 913 HB3 SER 122 HB3 SER 122 6.648 17.219 -3.439 914 HG SER 122 HG SER 122 7.135 14.572 -2.544 915 H ALA 123 H ALA 123 3.807 18.133 -3.517 916 HA ALA 123 HA ALA 123 2.114 17.351 -5.734 917 HB1 ALA 123 HB1 ALA 123 2.534 20.088 -4.499 918 HB2 ALA 123 HB2 ALA 123 1.305 18.912 -4.029 919 HB3 ALA 123 HB3 ALA 123 1.250 19.641 -5.634 920 H LYS 124 H LYS 124 2.137 18.204 -7.872 921 HA LYS 124 HA LYS 124 4.653 18.614 -9.133 922 HB2 LYS 124 HB2 LYS 124 2.669 17.669 -10.290 923 HB3 LYS 124 HB3 LYS 124 1.848 19.218 -10.167 924 HG2 LYS 124 HG2 LYS 124 2.690 18.943 -12.418 925 HG3 LYS 124 HG3 LYS 124 3.600 20.236 -11.625 926 HD2 LYS 124 HD2 LYS 124 5.412 18.552 -11.123 927 HD3 LYS 124 HD3 LYS 124 4.515 17.367 -12.078 928 HE2 LYS 124 HE2 LYS 124 4.752 18.800 -14.069 929 HE3 LYS 124 HE3 LYS 124 5.624 20.001 -13.112 930 HZ1 LYS 124 HZ1 LYS 124 7.357 18.382 -12.721 931 HZ2 LYS 124 HZ2 LYS 124 7.110 18.582 -14.381 932 HZ3 LYS 124 HZ3 LYS 124 6.510 17.209 -13.599 933 H LEU 125 H LEU 125 1.998 20.847 -8.327 934 HA LEU 125 HA LEU 125 3.281 23.251 -9.193 935 HB2 LEU 125 HB2 LEU 125 0.745 22.737 -8.818 936 HB3 LEU 125 HB3 LEU 125 1.047 23.123 -7.137 937 HG LEU 125 HG LEU 125 1.500 25.058 -9.450 938 HD11 LEU 125 HD11 LEU 125 -0.875 24.914 -7.570 939 HD12 LEU 125 HD12 LEU 125 -0.869 24.511 -9.288 940 HD13 LEU 125 HD13 LEU 125 -0.582 26.172 -8.778 941 HD21 LEU 125 HD21 LEU 125 2.870 25.664 -7.518 942 HD22 LEU 125 HD22 LEU 125 1.460 25.605 -6.459 943 HD23 LEU 125 HD23 LEU 125 1.564 26.830 -7.727 944 H GLU 126 H GLU 126 2.443 22.208 -5.854 945 HA GLU 126 HA GLU 126 4.573 23.834 -4.699 946 HB2 GLU 126 HB2 GLU 126 2.518 21.994 -3.395 947 HB3 GLU 126 HB3 GLU 126 3.663 23.006 -2.516 948 HG2 GLU 126 HG2 GLU 126 2.628 25.023 -3.479 949 HG3 GLU 126 HG3 GLU 126 1.488 24.024 -4.376 950 H HIS 127 H HIS 127 6.223 22.613 -5.920 951 HA HIS 127 HA HIS 127 6.909 19.913 -5.156 952 HB2 HIS 127 HB2 HIS 127 7.439 21.056 -7.399 953 HB3 HIS 127 HB3 HIS 127 8.720 21.923 -6.558 954 HD1 HIS 127 HD1 HIS 127 7.730 18.511 -7.743 955 HD2 HIS 127 HD2 HIS 127 11.023 20.390 -6.046 956 HE1 HIS 127 HE1 HIS 127 9.591 16.834 -7.851 957 HE2 HIS 127 HE2 HIS 127 11.597 18.027 -6.931 958 H HIS 128 H HIS 128 8.688 19.264 -3.869 959 HA HIS 128 HA HIS 128 10.053 19.186 -2.058 960 HB2 HIS 128 HB2 HIS 128 10.162 22.230 -2.077 961 HB3 HIS 128 HB3 HIS 128 11.186 21.172 -1.117 962 HD1 HIS 128 HD1 HIS 128 11.570 23.245 -3.835 963 HD2 HIS 128 HD2 HIS 128 12.511 19.239 -3.244 964 HE1 HIS 128 HE1 HIS 128 13.365 22.726 -5.505 965 HE2 HIS 128 HE2 HIS 128 14.016 20.345 -5.036 966 H HIS 129 H HIS 129 7.115 20.998 -1.973 967 HA HIS 129 HA HIS 129 6.934 21.547 0.813 968 HB2 HIS 129 HB2 HIS 129 5.660 22.838 -0.858 969 HB3 HIS 129 HB3 HIS 129 4.765 21.395 -1.321 970 HD1 HIS 129 HD1 HIS 129 2.478 21.488 -0.405 971 HD2 HIS 129 HD2 HIS 129 5.213 23.230 2.196 972 HE1 HIS 129 HE1 HIS 129 1.130 22.268 1.560 973 HE2 HIS 129 HE2 HIS 129 2.795 23.341 3.107 974 H HIS 130 H HIS 130 7.105 19.863 2.160 975 HA HIS 130 HA HIS 130 5.183 17.610 1.960 976 HB2 HIS 130 HB2 HIS 130 7.816 17.799 3.490 977 HB3 HIS 130 HB3 HIS 130 6.712 16.427 3.573 978 HD1 HIS 130 HD1 HIS 130 9.342 17.975 1.460 979 HD2 HIS 130 HD2 HIS 130 6.634 14.834 1.203 980 HE1 HIS 130 HE1 HIS 130 10.083 16.607 -0.505 981 HE2 HIS 130 HE2 HIS 130 8.285 14.885 -0.779 982 H HIS 131 H HIS 131 3.863 17.142 3.718 983 HA HIS 131 HA HIS 131 3.772 19.093 5.953 984 HB2 HIS 131 HB2 HIS 131 1.649 18.831 4.720 985 HB3 HIS 131 HB3 HIS 131 1.680 17.089 4.977 986 HD1 HIS 131 HD1 HIS 131 1.236 20.335 6.885 987 HD2 HIS 131 HD2 HIS 131 0.576 16.256 7.377 988 HE1 HIS 131 HE1 HIS 131 -0.026 20.112 9.045 989 HE2 HIS 131 HE2 HIS 131 -0.258 17.636 9.403 990 H HIS 132 H HIS 132 4.641 18.438 7.860 991 HA HIS 132 HA HIS 132 4.531 15.572 8.621 992 HB2 HIS 132 HB2 HIS 132 6.828 16.122 7.806 993 HB3 HIS 132 HB3 HIS 132 6.963 17.386 9.023 994 HD1 HIS 132 HD1 HIS 132 7.144 16.557 11.541 995 HD2 HIS 132 HD2 HIS 132 7.367 13.546 8.685 996 HE1 HIS 132 HE1 HIS 132 8.049 14.554 12.748 997 HE2 HIS 132 HE2 HIS 132 8.010 12.704 11.045 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -3.614 16.016 -2.439 2 H2 MET 1 H2 MET 1 -4.722 14.757 -2.215 3 H3 MET 1 H3 MET 1 -5.268 16.350 -2.332 4 HA MET 1 HA MET 1 -4.596 16.509 -4.592 5 HB2 MET 1 HB2 MET 1 -3.715 13.601 -4.348 6 HB3 MET 1 HB3 MET 1 -3.689 14.565 -5.819 7 HG2 MET 1 HG2 MET 1 -1.464 14.430 -5.024 8 HG3 MET 1 HG3 MET 1 -2.014 16.070 -4.685 9 HE1 MET 1 HE1 MET 1 0.493 14.984 -1.737 10 HE2 MET 1 HE2 MET 1 0.293 16.083 -3.102 11 HE3 MET 1 HE3 MET 1 0.549 14.360 -3.386 12 H LYS 2 H LYS 2 -6.033 15.917 -6.301 13 HA LYS 2 HA LYS 2 -8.384 14.285 -5.496 14 HB2 LYS 2 HB2 LYS 2 -8.794 16.725 -5.924 15 HB3 LYS 2 HB3 LYS 2 -8.203 16.529 -7.571 16 HG2 LYS 2 HG2 LYS 2 -10.096 15.060 -8.104 17 HG3 LYS 2 HG3 LYS 2 -10.646 15.121 -6.427 18 HD2 LYS 2 HD2 LYS 2 -11.048 17.561 -6.659 19 HD3 LYS 2 HD3 LYS 2 -10.515 17.485 -8.342 20 HE2 LYS 2 HE2 LYS 2 -12.396 15.987 -8.879 21 HE3 LYS 2 HE3 LYS 2 -12.910 16.002 -7.193 22 HZ1 LYS 2 HZ1 LYS 2 -14.220 17.501 -8.542 23 HZ2 LYS 2 HZ2 LYS 2 -12.832 18.356 -9.001 24 HZ3 LYS 2 HZ3 LYS 2 -13.336 18.368 -7.387 25 H VAL 3 H VAL 3 -9.453 13.028 -7.295 26 HA VAL 3 HA VAL 3 -7.710 11.508 -8.911 27 HB VAL 3 HB VAL 3 -10.713 11.907 -9.338 28 HG11 VAL 3 HG11 VAL 3 -10.647 9.693 -10.467 29 HG12 VAL 3 HG12 VAL 3 -8.892 9.647 -10.278 30 HG13 VAL 3 HG13 VAL 3 -9.637 10.877 -11.302 31 HG21 VAL 3 HG21 VAL 3 -10.239 11.137 -7.037 32 HG22 VAL 3 HG22 VAL 3 -9.283 9.795 -7.668 33 HG23 VAL 3 HG23 VAL 3 -11.021 9.860 -7.973 34 H GLY 4 H GLY 4 -6.776 11.937 -10.805 35 HA2 GLY 4 HA2 GLY 4 -6.601 12.802 -13.029 36 HA3 GLY 4 HA3 GLY 4 -7.729 14.080 -12.611 37 H SER 5 H SER 5 -5.721 14.023 -10.020 38 HA SER 5 HA SER 5 -4.093 16.264 -10.931 39 HB2 SER 5 HB2 SER 5 -4.173 14.848 -8.229 40 HB3 SER 5 HB3 SER 5 -3.314 16.354 -8.565 41 HG SER 5 HG SER 5 -5.192 17.417 -8.650 42 H GLN 6 H GLN 6 -1.834 16.308 -11.128 43 HA GLN 6 HA GLN 6 -0.439 13.692 -11.210 44 HB2 GLN 6 HB2 GLN 6 0.077 16.193 -12.866 45 HB3 GLN 6 HB3 GLN 6 1.166 14.805 -12.827 46 HG2 GLN 6 HG2 GLN 6 -0.720 13.376 -13.632 47 HG3 GLN 6 HG3 GLN 6 -1.705 14.825 -13.807 48 HE21 GLN 6 HE21 GLN 6 -0.820 12.869 -15.814 49 HE22 GLN 6 HE22 GLN 6 0.008 13.781 -17.022 50 H VAL 7 H VAL 7 1.468 13.437 -10.225 51 HA VAL 7 HA VAL 7 2.569 15.509 -8.456 52 HB VAL 7 HB VAL 7 2.487 13.927 -6.493 53 HG11 VAL 7 HG11 VAL 7 0.110 14.253 -5.912 54 HG12 VAL 7 HG12 VAL 7 -0.257 14.630 -7.596 55 HG13 VAL 7 HG13 VAL 7 0.790 15.700 -6.662 56 HG21 VAL 7 HG21 VAL 7 2.266 11.780 -7.698 57 HG22 VAL 7 HG22 VAL 7 0.648 12.234 -8.234 58 HG23 VAL 7 HG23 VAL 7 0.964 11.968 -6.517 59 H ILE 8 H ILE 8 4.706 15.035 -7.722 60 HA ILE 8 HA ILE 8 6.148 12.850 -9.088 61 HB ILE 8 HB ILE 8 7.247 15.189 -7.455 62 HG12 ILE 8 HG12 ILE 8 6.204 15.978 -9.558 63 HG13 ILE 8 HG13 ILE 8 7.953 16.152 -9.639 64 HG21 ILE 8 HG21 ILE 8 8.753 13.141 -9.139 65 HG22 ILE 8 HG22 ILE 8 8.793 13.283 -7.380 66 HG23 ILE 8 HG23 ILE 8 9.466 14.567 -8.381 67 HD11 ILE 8 HD11 ILE 8 8.077 14.126 -11.032 68 HD12 ILE 8 HD12 ILE 8 7.060 15.375 -11.745 69 HD13 ILE 8 HD13 ILE 8 6.317 13.982 -10.963 70 H ILE 9 H ILE 9 6.965 11.110 -7.970 71 HA ILE 9 HA ILE 9 5.928 10.657 -5.280 72 HB ILE 9 HB ILE 9 7.596 8.752 -6.986 73 HG12 ILE 9 HG12 ILE 9 4.541 8.936 -6.807 74 HG13 ILE 9 HG13 ILE 9 5.497 9.493 -8.176 75 HG21 ILE 9 HG21 ILE 9 6.582 6.994 -5.545 76 HG22 ILE 9 HG22 ILE 9 5.770 8.239 -4.597 77 HG23 ILE 9 HG23 ILE 9 7.534 8.141 -4.603 78 HD11 ILE 9 HD11 ILE 9 6.227 7.190 -8.590 79 HD12 ILE 9 HD12 ILE 9 4.473 7.358 -8.637 80 HD13 ILE 9 HD13 ILE 9 5.247 6.640 -7.225 81 H ASN 10 H ASN 10 7.070 10.943 -3.450 82 HA ASN 10 HA ASN 10 9.924 11.688 -3.582 83 HB2 ASN 10 HB2 ASN 10 8.391 13.269 -2.466 84 HB3 ASN 10 HB3 ASN 10 7.835 12.001 -1.377 85 HD21 ASN 10 HD21 ASN 10 8.445 13.010 0.482 86 HD22 ASN 10 HD22 ASN 10 10.076 13.339 0.926 87 H THR 11 H THR 11 7.793 9.777 -1.437 88 HA THR 11 HA THR 11 10.040 8.073 -0.570 89 HB THR 11 HB THR 11 7.215 8.327 0.569 90 HG1 THR 11 HG1 THR 11 8.016 9.705 1.999 91 HG21 THR 11 HG21 THR 11 8.146 6.104 1.030 92 HG22 THR 11 HG22 THR 11 8.084 7.064 2.508 93 HG23 THR 11 HG23 THR 11 9.619 6.837 1.671 94 H SER 12 H SER 12 9.900 5.775 -0.911 95 HA SER 12 HA SER 12 7.818 4.899 -2.811 96 HB2 SER 12 HB2 SER 12 10.797 4.987 -3.410 97 HB3 SER 12 HB3 SER 12 9.629 4.085 -4.380 98 HG SER 12 HG SER 12 8.785 6.622 -3.958 99 H HIS 13 H HIS 13 7.322 2.867 -2.860 100 HA HIS 13 HA HIS 13 8.455 0.984 -0.925 101 HB2 HIS 13 HB2 HIS 13 6.060 0.598 -2.778 102 HB3 HIS 13 HB3 HIS 13 6.437 -0.313 -1.317 103 HD2 HIS 13 HD2 HIS 13 6.956 2.718 0.361 104 HE1 HIS 13 HE1 HIS 13 2.777 2.865 -0.231 105 HE2 HIS 13 HE2 HIS 13 4.747 3.926 0.925 106 H MET 14 H MET 14 8.690 1.720 -4.258 107 HA MET 14 HA MET 14 10.157 -0.791 -4.872 108 HB2 MET 14 HB2 MET 14 8.376 0.820 -6.775 109 HB3 MET 14 HB3 MET 14 9.397 -0.532 -7.261 110 HG2 MET 14 HG2 MET 14 7.042 -0.686 -5.364 111 HG3 MET 14 HG3 MET 14 7.057 -1.207 -7.052 112 HE1 MET 14 HE1 MET 14 6.119 -3.621 -6.245 113 HE2 MET 14 HE2 MET 14 6.151 -3.079 -4.565 114 HE3 MET 14 HE3 MET 14 6.920 -4.599 -5.015 115 H LYS 15 H LYS 15 11.944 -0.532 -6.380 116 HA LYS 15 HA LYS 15 13.533 1.793 -5.954 117 HB2 LYS 15 HB2 LYS 15 15.147 0.724 -7.556 118 HB3 LYS 15 HB3 LYS 15 14.636 -0.335 -6.247 119 HG2 LYS 15 HG2 LYS 15 13.093 -1.504 -7.768 120 HG3 LYS 15 HG3 LYS 15 13.544 -0.417 -9.085 121 HD2 LYS 15 HD2 LYS 15 15.841 -1.282 -9.058 122 HD3 LYS 15 HD3 LYS 15 15.477 -2.291 -7.656 123 HE2 LYS 15 HE2 LYS 15 15.497 -3.595 -9.761 124 HE3 LYS 15 HE3 LYS 15 13.917 -3.630 -8.984 125 HZ1 LYS 15 HZ1 LYS 15 13.827 -3.300 -11.402 126 HZ2 LYS 15 HZ2 LYS 15 14.627 -1.824 -11.229 127 HZ3 LYS 15 HZ3 LYS 15 13.093 -2.043 -10.547 128 H GLY 16 H GLY 16 11.539 0.765 -8.705 129 HA2 GLY 16 HA2 GLY 16 12.379 2.874 -10.502 130 HA3 GLY 16 HA3 GLY 16 11.055 1.748 -10.746 131 H MET 17 H MET 17 10.347 2.944 -7.815 132 HA MET 17 HA MET 17 8.164 4.507 -8.925 133 HB2 MET 17 HB2 MET 17 7.823 2.802 -7.144 134 HB3 MET 17 HB3 MET 17 8.836 3.736 -6.054 135 HG2 MET 17 HG2 MET 17 7.157 5.612 -6.270 136 HG3 MET 17 HG3 MET 17 6.114 4.481 -7.130 137 HE1 MET 17 HE1 MET 17 5.199 2.247 -6.043 138 HE2 MET 17 HE2 MET 17 5.435 1.792 -4.355 139 HE3 MET 17 HE3 MET 17 6.795 1.745 -5.479 140 H LYS 18 H LYS 18 11.141 5.126 -7.141 141 HA LYS 18 HA LYS 18 10.446 7.671 -6.054 142 HB2 LYS 18 HB2 LYS 18 12.231 6.108 -5.174 143 HB3 LYS 18 HB3 LYS 18 13.261 6.589 -6.518 144 HG2 LYS 18 HG2 LYS 18 13.279 8.907 -5.718 145 HG3 LYS 18 HG3 LYS 18 12.148 8.490 -4.424 146 HD2 LYS 18 HD2 LYS 18 13.882 6.920 -3.494 147 HD3 LYS 18 HD3 LYS 18 15.011 7.498 -4.728 148 HE2 LYS 18 HE2 LYS 18 15.396 8.632 -2.585 149 HE3 LYS 18 HE3 LYS 18 14.842 9.782 -3.800 150 HZ1 LYS 18 HZ1 LYS 18 13.071 8.515 -1.781 151 HZ2 LYS 18 HZ2 LYS 18 12.674 9.774 -2.836 152 HZ3 LYS 18 HZ3 LYS 18 13.780 10.035 -1.594 153 H GLY 19 H GLY 19 10.295 9.556 -7.039 154 HA2 GLY 19 HA2 GLY 19 11.005 11.425 -8.266 155 HA3 GLY 19 HA3 GLY 19 12.160 10.428 -9.132 156 H ALA 20 H ALA 20 9.437 8.666 -9.394 157 HA ALA 20 HA ALA 20 8.975 9.386 -12.134 158 HB1 ALA 20 HB1 ALA 20 7.479 7.428 -10.362 159 HB2 ALA 20 HB2 ALA 20 8.879 7.057 -11.372 160 HB3 ALA 20 HB3 ALA 20 7.355 7.536 -12.121 161 H GLU 21 H GLU 21 7.026 10.166 -13.105 162 HA GLU 21 HA GLU 21 5.448 11.989 -11.434 163 HB2 GLU 21 HB2 GLU 21 6.367 12.782 -13.622 164 HB3 GLU 21 HB3 GLU 21 5.370 11.596 -14.459 165 HG2 GLU 21 HG2 GLU 21 3.330 12.722 -13.600 166 HG3 GLU 21 HG3 GLU 21 4.336 13.917 -12.783 167 H ALA 22 H ALA 22 3.936 10.875 -10.317 168 HA ALA 22 HA ALA 22 2.277 8.798 -11.510 169 HB1 ALA 22 HB1 ALA 22 1.301 8.604 -9.248 170 HB2 ALA 22 HB2 ALA 22 2.231 10.009 -8.724 171 HB3 ALA 22 HB3 ALA 22 3.064 8.530 -9.201 172 H THR 23 H THR 23 -0.026 8.912 -11.581 173 HA THR 23 HA THR 23 -1.310 11.569 -11.358 174 HB THR 23 HB THR 23 -1.906 9.519 -13.555 175 HG1 THR 23 HG1 THR 23 0.065 10.648 -13.920 176 HG21 THR 23 HG21 THR 23 -3.356 11.285 -14.510 177 HG22 THR 23 HG22 THR 23 -3.009 12.329 -13.129 178 HG23 THR 23 HG23 THR 23 -3.905 10.824 -12.898 179 H VAL 24 H VAL 24 -3.122 11.497 -10.127 180 HA VAL 24 HA VAL 24 -3.641 9.149 -8.571 181 HB VAL 24 HB VAL 24 -5.080 11.841 -8.589 182 HG11 VAL 24 HG11 VAL 24 -5.886 11.246 -6.322 183 HG12 VAL 24 HG12 VAL 24 -5.157 9.645 -6.480 184 HG13 VAL 24 HG13 VAL 24 -6.487 10.119 -7.540 185 HG21 VAL 24 HG21 VAL 24 -3.665 12.403 -6.630 186 HG22 VAL 24 HG22 VAL 24 -2.685 12.096 -8.064 187 HG23 VAL 24 HG23 VAL 24 -2.810 10.867 -6.802 188 H THR 25 H THR 25 -4.858 7.485 -9.360 189 HA THR 25 HA THR 25 -7.152 7.932 -11.133 190 HB THR 25 HB THR 25 -7.329 5.480 -11.262 191 HG1 THR 25 HG1 THR 25 -5.883 4.164 -10.093 192 HG21 THR 25 HG21 THR 25 -5.148 4.910 -12.262 193 HG22 THR 25 HG22 THR 25 -4.433 6.354 -11.539 194 HG23 THR 25 HG23 THR 25 -5.686 6.513 -12.774 195 H GLY 26 H GLY 26 -6.461 7.467 -7.739 196 HA2 GLY 26 HA2 GLY 26 -9.266 7.750 -7.029 197 HA3 GLY 26 HA3 GLY 26 -8.540 6.215 -6.569 198 H ALA 27 H ALA 27 -9.551 8.612 -4.995 199 HA ALA 27 HA ALA 27 -7.202 8.932 -3.202 200 HB1 ALA 27 HB1 ALA 27 -7.547 11.046 -4.427 201 HB2 ALA 27 HB2 ALA 27 -7.918 11.246 -2.714 202 HB3 ALA 27 HB3 ALA 27 -9.228 11.099 -3.890 203 H TYR 28 H TYR 28 -7.705 7.737 -1.457 204 HA TYR 28 HA TYR 28 -10.497 7.582 -0.451 205 HB2 TYR 28 HB2 TYR 28 -8.209 5.596 -0.090 206 HB3 TYR 28 HB3 TYR 28 -9.854 5.389 0.500 207 HD1 TYR 28 HD1 TYR 28 -7.847 5.716 -2.661 208 HD2 TYR 28 HD2 TYR 28 -11.495 4.332 -0.903 209 HE1 TYR 28 HE1 TYR 28 -8.421 4.549 -4.751 210 HE2 TYR 28 HE2 TYR 28 -12.049 3.162 -2.986 211 HH TYR 28 HH TYR 28 -9.876 2.551 -5.420 212 H ASP 29 H ASP 29 -10.893 8.316 1.582 213 HA ASP 29 HA ASP 29 -8.632 8.893 3.416 214 HB2 ASP 29 HB2 ASP 29 -10.367 10.376 4.619 215 HB3 ASP 29 HB3 ASP 29 -9.784 10.935 3.058 216 H THR 30 H THR 30 -8.407 6.746 4.106 217 HA THR 30 HA THR 30 -10.452 5.720 5.991 218 HB THR 30 HB THR 30 -10.799 4.501 3.871 219 HG1 THR 30 HG1 THR 30 -10.774 2.472 4.754 220 HG21 THR 30 HG21 THR 30 -7.907 3.591 4.125 221 HG22 THR 30 HG22 THR 30 -8.539 4.687 2.893 222 HG23 THR 30 HG23 THR 30 -9.076 3.006 2.937 223 H THR 31 H THR 31 -9.384 3.635 7.156 224 HA THR 31 HA THR 31 -6.865 4.497 8.368 225 HB THR 31 HB THR 31 -8.492 1.968 8.961 226 HG1 THR 31 HG1 THR 31 -9.733 3.751 9.490 227 HG21 THR 31 HG21 THR 31 -6.145 1.818 9.768 228 HG22 THR 31 HG22 THR 31 -7.275 1.934 11.114 229 HG23 THR 31 HG23 THR 31 -6.343 3.351 10.629 230 H ALA 32 H ALA 32 -4.886 3.749 7.799 231 HA ALA 32 HA ALA 32 -4.592 1.366 6.074 232 HB1 ALA 32 HB1 ALA 32 -2.771 3.789 6.255 233 HB2 ALA 32 HB2 ALA 32 -3.918 3.460 4.958 234 HB3 ALA 32 HB3 ALA 32 -2.538 2.388 5.202 235 H TYR 33 H TYR 33 -3.072 -0.160 6.674 236 HA TYR 33 HA TYR 33 -2.034 0.012 9.440 237 HB2 TYR 33 HB2 TYR 33 -3.123 -2.385 7.900 238 HB3 TYR 33 HB3 TYR 33 -2.292 -2.524 9.448 239 HD1 TYR 33 HD1 TYR 33 -3.310 -1.571 11.508 240 HD2 TYR 33 HD2 TYR 33 -5.449 -1.592 7.808 241 HE1 TYR 33 HE1 TYR 33 -5.389 -1.109 12.710 242 HE2 TYR 33 HE2 TYR 33 -7.540 -1.135 9.029 243 HH TYR 33 HH TYR 33 -8.453 -1.367 11.298 244 H VAL 34 H VAL 34 -0.106 -0.867 9.960 245 HA VAL 34 HA VAL 34 1.840 -1.547 7.840 246 HB VAL 34 HB VAL 34 2.288 -1.016 10.832 247 HG11 VAL 34 HG11 VAL 34 4.317 -1.263 8.575 248 HG12 VAL 34 HG12 VAL 34 4.060 -2.427 9.879 249 HG13 VAL 34 HG13 VAL 34 4.688 -0.820 10.245 250 HG21 VAL 34 HG21 VAL 34 1.482 1.020 9.692 251 HG22 VAL 34 HG22 VAL 34 2.761 0.867 8.485 252 HG23 VAL 34 HG23 VAL 34 3.172 1.194 10.169 253 H VAL 35 H VAL 35 1.857 -3.750 7.388 254 HA VAL 35 HA VAL 35 1.271 -5.666 9.599 255 HB VAL 35 HB VAL 35 0.562 -7.302 7.821 256 HG11 VAL 35 HG11 VAL 35 -1.125 -6.015 9.056 257 HG12 VAL 35 HG12 VAL 35 -1.648 -6.271 7.391 258 HG13 VAL 35 HG13 VAL 35 -1.015 -4.698 7.884 259 HG21 VAL 35 HG21 VAL 35 1.774 -6.375 5.879 260 HG22 VAL 35 HG22 VAL 35 0.772 -4.923 5.920 261 HG23 VAL 35 HG23 VAL 35 0.045 -6.484 5.528 262 H SER 36 H SER 36 2.443 -7.560 9.801 263 HA SER 36 HA SER 36 4.948 -7.865 8.243 264 HB2 SER 36 HB2 SER 36 5.925 -8.894 10.329 265 HB3 SER 36 HB3 SER 36 5.498 -7.196 10.542 266 HG SER 36 HG SER 36 4.651 -8.164 12.293 267 H TYR 37 H TYR 37 5.113 -9.782 7.186 268 HA TYR 37 HA TYR 37 3.671 -12.175 7.971 269 HB2 TYR 37 HB2 TYR 37 2.392 -12.417 5.889 270 HB3 TYR 37 HB3 TYR 37 1.934 -10.932 6.698 271 HD1 TYR 37 HD2 TYR 37 2.526 -8.719 5.702 272 HD2 TYR 37 HD1 TYR 37 3.492 -12.358 3.669 273 HE1 TYR 37 HE2 TYR 37 2.889 -7.470 3.619 274 HE2 TYR 37 HE1 TYR 37 3.855 -11.100 1.589 275 HH TYR 37 HH TYR 37 4.117 -7.703 1.505 276 H THR 38 H THR 38 4.246 -14.032 6.711 277 HA THR 38 HA THR 38 6.739 -13.787 5.125 278 HB THR 38 HB THR 38 5.574 -16.285 6.454 279 HG1 THR 38 HG1 THR 38 7.295 -16.058 7.877 280 HG21 THR 38 HG21 THR 38 8.188 -15.930 4.927 281 HG22 THR 38 HG22 THR 38 6.794 -16.860 4.371 282 HG23 THR 38 HG23 THR 38 7.700 -17.386 5.793 283 HA PRO 39 HA PRO 39 3.801 -14.484 1.636 284 HB2 PRO 39 HB2 PRO 39 5.812 -14.685 -0.298 285 HB3 PRO 39 HB3 PRO 39 5.088 -13.164 0.234 286 HG2 PRO 39 HG2 PRO 39 7.659 -14.462 1.112 287 HG3 PRO 39 HG3 PRO 39 7.334 -12.752 0.746 288 HD2 PRO 39 HD2 PRO 39 7.468 -13.617 3.289 289 HD3 PRO 39 HD3 PRO 39 6.285 -12.376 2.819 290 H THR 40 H THR 40 3.011 -16.432 0.922 291 HA THR 40 HA THR 40 4.049 -18.843 2.044 292 HB THR 40 HB THR 40 2.119 -19.980 1.009 293 HG1 THR 40 HG1 THR 40 0.677 -18.288 -0.164 294 HG21 THR 40 HG21 THR 40 0.283 -18.676 2.035 295 HG22 THR 40 HG22 THR 40 1.338 -17.267 2.151 296 HG23 THR 40 HG23 THR 40 1.700 -18.715 3.091 297 H ASN 41 H ASN 41 5.035 -17.310 -0.796 298 HA ASN 41 HA ASN 41 5.895 -19.431 -2.421 299 HB2 ASN 41 HB2 ASN 41 6.023 -16.946 -2.910 300 HB3 ASN 41 HB3 ASN 41 7.389 -16.837 -1.813 301 HD21 ASN 41 HD21 ASN 41 9.395 -17.787 -2.464 302 HD22 ASN 41 HD22 ASN 41 9.703 -18.173 -4.116 303 H GLY 42 H GLY 42 7.014 -18.407 0.723 304 HA2 GLY 42 HA2 GLY 42 8.002 -19.844 2.293 305 HA3 GLY 42 HA3 GLY 42 8.589 -20.866 0.997 306 H GLY 43 H GLY 43 9.303 -17.482 0.599 307 HA2 GLY 43 HA2 GLY 43 12.140 -17.979 1.235 308 HA3 GLY 43 HA3 GLY 43 11.502 -16.723 0.192 309 H GLN 44 H GLN 44 12.092 -14.835 1.055 310 HA GLN 44 HA GLN 44 12.685 -14.403 3.814 311 HB2 GLN 44 HB2 GLN 44 13.888 -13.236 1.998 312 HB3 GLN 44 HB3 GLN 44 12.408 -12.410 1.524 313 HG2 GLN 44 HG2 GLN 44 12.379 -11.328 3.812 314 HG3 GLN 44 HG3 GLN 44 13.964 -12.035 4.108 315 HE21 GLN 44 HE21 GLN 44 15.764 -11.194 2.964 316 HE22 GLN 44 HE22 GLN 44 15.694 -9.667 2.163 317 H ARG 45 H ARG 45 11.315 -13.841 5.421 318 HA ARG 45 HA ARG 45 8.616 -13.122 5.218 319 HB2 ARG 45 HB2 ARG 45 9.586 -14.003 7.279 320 HB3 ARG 45 HB3 ARG 45 10.643 -12.605 7.437 321 HG2 ARG 45 HG2 ARG 45 8.677 -11.155 7.831 322 HG3 ARG 45 HG3 ARG 45 7.609 -12.551 7.646 323 HD2 ARG 45 HD2 ARG 45 9.716 -12.178 9.813 324 HD3 ARG 45 HD3 ARG 45 7.969 -12.031 10.021 325 HE ARG 45 HE ARG 45 7.811 -14.429 9.442 326 HH11 ARG 45 HH11 ARG 45 10.881 -13.286 10.590 327 HH12 ARG 45 HH12 ARG 45 11.344 -14.840 11.175 328 HH21 ARG 45 HH21 ARG 45 8.453 -16.400 10.188 329 HH22 ARG 45 HH22 ARG 45 9.994 -16.578 10.951 330 H VAL 46 H VAL 46 7.690 -11.292 4.528 331 HA VAL 46 HA VAL 46 9.140 -8.780 4.211 332 HB VAL 46 HB VAL 46 6.220 -9.453 3.617 333 HG11 VAL 46 HG11 VAL 46 6.516 -7.029 3.936 334 HG12 VAL 46 HG12 VAL 46 6.210 -7.389 2.238 335 HG13 VAL 46 HG13 VAL 46 7.850 -7.015 2.775 336 HG21 VAL 46 HG21 VAL 46 8.600 -9.336 1.718 337 HG22 VAL 46 HG22 VAL 46 6.921 -9.617 1.254 338 HG23 VAL 46 HG23 VAL 46 7.767 -10.800 2.249 339 H ASP 47 H ASP 47 9.355 -7.483 5.941 340 HA ASP 47 HA ASP 47 7.286 -7.415 8.063 341 HB2 ASP 47 HB2 ASP 47 8.976 -6.476 9.550 342 HB3 ASP 47 HB3 ASP 47 9.594 -7.963 8.831 343 H HIS 48 H HIS 48 6.417 -5.473 8.727 344 HA HIS 48 HA HIS 48 5.597 -3.355 8.619 345 HB2 HIS 48 HB2 HIS 48 8.464 -2.711 7.810 346 HB3 HIS 48 HB3 HIS 48 7.296 -1.554 8.444 347 HD1 HIS 48 HD1 HIS 48 10.103 -3.286 9.600 348 HD2 HIS 48 HD2 HIS 48 6.273 -2.806 11.117 349 HE1 HIS 48 HE1 HIS 48 10.282 -3.769 12.055 350 HE2 HIS 48 HE2 HIS 48 7.978 -3.362 12.969 351 H HIS 49 H HIS 49 5.046 -4.824 6.329 352 HA HIS 49 HA HIS 49 5.614 -3.635 3.852 353 HB2 HIS 49 HB2 HIS 49 4.688 -5.923 4.102 354 HB3 HIS 49 HB3 HIS 49 3.153 -5.253 4.650 355 HD2 HIS 49 HD2 HIS 49 1.515 -4.193 2.637 356 HE1 HIS 49 HE1 HIS 49 4.048 -5.315 -0.555 357 HE2 HIS 49 HE2 HIS 49 1.891 -4.176 0.079 358 H LYS 50 H LYS 50 4.853 -1.847 2.831 359 HA LYS 50 HA LYS 50 2.492 -0.427 3.902 360 HB2 LYS 50 HB2 LYS 50 5.108 0.791 2.898 361 HB3 LYS 50 HB3 LYS 50 3.689 1.703 3.409 362 HG2 LYS 50 HG2 LYS 50 3.938 0.838 5.699 363 HG3 LYS 50 HG3 LYS 50 5.339 -0.114 5.198 364 HD2 LYS 50 HD2 LYS 50 6.479 2.056 4.559 365 HD3 LYS 50 HD3 LYS 50 5.109 2.920 5.267 366 HE2 LYS 50 HE2 LYS 50 6.996 1.042 6.740 367 HE3 LYS 50 HE3 LYS 50 6.987 2.803 6.847 368 HZ1 LYS 50 HZ1 LYS 50 4.771 1.014 7.698 369 HZ2 LYS 50 HZ2 LYS 50 4.781 2.700 7.811 370 HZ3 LYS 50 HZ3 LYS 50 5.872 1.788 8.724 371 H TRP 51 H TRP 51 1.358 0.302 0.594 372 HA TRP 51 HA TRP 51 0.909 -0.180 3.489 373 HB2 TRP 51 HB2 TRP 51 -0.385 1.875 1.642 374 HB3 TRP 51 HB3 TRP 51 -0.984 1.516 3.257 375 HD1 TRP 51 HD1 TRP 51 1.881 3.349 1.471 376 HE1 TRP 51 HE1 TRP 51 3.139 4.783 3.201 377 HE3 TRP 51 HE3 TRP 51 -0.371 1.640 5.744 378 HZ2 TRP 51 HZ2 TRP 51 3.165 5.148 5.999 379 HZ3 TRP 51 HZ3 TRP 51 0.326 2.587 7.909 380 HH2 TRP 51 HH2 TRP 51 2.062 4.309 8.031 381 H VAL 52 H VAL 52 -1.048 -1.007 4.159 382 HA VAL 52 HA VAL 52 -2.929 -2.170 2.176 383 HB VAL 52 HB VAL 52 -3.465 -3.961 3.814 384 HG11 VAL 52 HG11 VAL 52 -1.431 -5.348 3.565 385 HG12 VAL 52 HG12 VAL 52 -0.505 -3.914 3.109 386 HG13 VAL 52 HG13 VAL 52 -1.818 -4.483 2.074 387 HG21 VAL 52 HG21 VAL 52 -2.039 -4.378 5.803 388 HG22 VAL 52 HG22 VAL 52 -2.874 -2.829 5.914 389 HG23 VAL 52 HG23 VAL 52 -1.164 -2.877 5.489 390 H ILE 53 H ILE 53 -5.250 -2.238 3.076 391 HA ILE 53 HA ILE 53 -5.679 -0.067 5.079 392 HB ILE 53 HB ILE 53 -7.607 0.811 3.855 393 HG12 ILE 53 HG12 ILE 53 -6.922 -1.146 1.608 394 HG13 ILE 53 HG13 ILE 53 -8.301 -1.302 2.690 395 HG21 ILE 53 HG21 ILE 53 -5.133 0.708 2.089 396 HG22 ILE 53 HG22 ILE 53 -5.420 1.832 3.420 397 HG23 ILE 53 HG23 ILE 53 -6.432 1.902 1.977 398 HD11 ILE 53 HD11 ILE 53 -8.999 -0.434 0.565 399 HD12 ILE 53 HD12 ILE 53 -7.834 0.884 0.668 400 HD13 ILE 53 HD13 ILE 53 -9.199 0.819 1.790 401 H GLN 54 H GLN 54 -7.751 -0.022 6.113 402 HA GLN 54 HA GLN 54 -8.717 -2.158 7.448 403 HB2 GLN 54 HB2 GLN 54 -9.325 0.180 7.909 404 HB3 GLN 54 HB3 GLN 54 -10.278 0.260 6.435 405 HG2 GLN 54 HG2 GLN 54 -11.783 0.088 8.296 406 HG3 GLN 54 HG3 GLN 54 -11.850 -1.428 7.404 407 HE21 GLN 54 HE21 GLN 54 -12.723 -2.435 9.280 408 HE22 GLN 54 HE22 GLN 54 -11.732 -2.853 10.630 409 H GLU 55 H GLU 55 -10.056 -1.027 4.307 410 HA GLU 55 HA GLU 55 -12.131 -3.054 4.248 411 HB2 GLU 55 HB2 GLU 55 -11.311 -0.855 2.315 412 HB3 GLU 55 HB3 GLU 55 -12.741 -1.865 2.113 413 HG2 GLU 55 HG2 GLU 55 -13.863 -0.885 3.937 414 HG3 GLU 55 HG3 GLU 55 -12.370 -0.289 4.663 415 H GLU 56 H GLU 56 -8.886 -3.045 3.299 416 HA GLU 56 HA GLU 56 -9.139 -4.966 1.099 417 HB2 GLU 56 HB2 GLU 56 -7.395 -3.283 0.931 418 HB3 GLU 56 HB3 GLU 56 -6.769 -3.668 2.523 419 HG2 GLU 56 HG2 GLU 56 -6.668 -5.634 0.223 420 HG3 GLU 56 HG3 GLU 56 -5.427 -4.408 0.459 421 H ILE 57 H ILE 57 -8.487 -4.884 4.533 422 HA ILE 57 HA ILE 57 -7.399 -7.576 4.718 423 HB ILE 57 HB ILE 57 -8.205 -5.588 6.902 424 HG12 ILE 57 HG12 ILE 57 -5.437 -6.367 5.835 425 HG13 ILE 57 HG13 ILE 57 -6.277 -4.866 5.462 426 HG21 ILE 57 HG21 ILE 57 -6.705 -8.225 7.203 427 HG22 ILE 57 HG22 ILE 57 -8.338 -7.885 7.783 428 HG23 ILE 57 HG23 ILE 57 -6.961 -7.038 8.485 429 HD11 ILE 57 HD11 ILE 57 -6.123 -4.210 7.821 430 HD12 ILE 57 HD12 ILE 57 -4.542 -4.522 7.108 431 HD13 ILE 57 HD13 ILE 57 -5.271 -5.716 8.180 432 H LYS 58 H LYS 58 -8.488 -9.412 5.170 433 HA LYS 58 HA LYS 58 -11.310 -9.512 4.804 434 HB2 LYS 58 HB2 LYS 58 -9.623 -11.233 4.036 435 HB3 LYS 58 HB3 LYS 58 -9.458 -11.763 5.706 436 HG2 LYS 58 HG2 LYS 58 -11.756 -12.523 5.756 437 HG3 LYS 58 HG3 LYS 58 -12.081 -11.798 4.180 438 HD2 LYS 58 HD2 LYS 58 -11.813 -14.206 3.911 439 HD3 LYS 58 HD3 LYS 58 -10.463 -13.379 3.130 440 HE2 LYS 58 HE2 LYS 58 -9.676 -15.346 4.353 441 HE3 LYS 58 HE3 LYS 58 -9.039 -13.880 5.094 442 HZ1 LYS 58 HZ1 LYS 58 -10.685 -14.030 6.814 443 HZ2 LYS 58 HZ2 LYS 58 -9.865 -15.509 6.717 444 HZ3 LYS 58 HZ3 LYS 58 -11.418 -15.359 6.069 445 H ASP 59 H ASP 59 -9.259 -9.777 7.676 446 HA ASP 59 HA ASP 59 -11.324 -10.681 9.467 447 HB2 ASP 59 HB2 ASP 59 -8.914 -11.229 9.748 448 HB3 ASP 59 HB3 ASP 59 -8.562 -9.534 10.045 449 H ALA 60 H ALA 60 -10.765 -7.631 8.118 450 HA ALA 60 HA ALA 60 -10.594 -5.641 9.856 451 HB1 ALA 60 HB1 ALA 60 -12.687 -5.689 7.668 452 HB2 ALA 60 HB2 ALA 60 -10.970 -5.354 7.447 453 HB3 ALA 60 HB3 ALA 60 -11.964 -4.247 8.395 454 H GLY 61 H GLY 61 -13.937 -6.860 9.130 455 HA2 GLY 61 HA2 GLY 61 -15.746 -7.210 10.474 456 HA3 GLY 61 HA3 GLY 61 -14.630 -7.260 11.820 457 H ASP 62 H ASP 62 -14.897 -4.345 9.911 458 HA ASP 62 HA ASP 62 -15.503 -2.222 10.338 459 HB2 ASP 62 HB2 ASP 62 -17.803 -3.171 10.565 460 HB3 ASP 62 HB3 ASP 62 -17.530 -3.418 12.281 461 H LYS 63 H LYS 63 -13.859 -4.038 12.566 462 HA LYS 63 HA LYS 63 -13.709 -2.010 14.699 463 HB2 LYS 63 HB2 LYS 63 -12.588 -3.673 16.060 464 HB3 LYS 63 HB3 LYS 63 -14.019 -4.412 15.352 465 HG2 LYS 63 HG2 LYS 63 -12.576 -5.528 13.658 466 HG3 LYS 63 HG3 LYS 63 -11.149 -4.821 14.424 467 HD2 LYS 63 HD2 LYS 63 -11.713 -6.054 16.526 468 HD3 LYS 63 HD3 LYS 63 -13.093 -6.792 15.705 469 HE2 LYS 63 HE2 LYS 63 -10.162 -7.157 14.975 470 HE3 LYS 63 HE3 LYS 63 -11.192 -8.342 15.774 471 HZ1 LYS 63 HZ1 LYS 63 -12.551 -8.459 13.782 472 HZ2 LYS 63 HZ2 LYS 63 -10.934 -8.809 13.418 473 HZ3 LYS 63 HZ3 LYS 63 -11.582 -7.300 13.018 474 H THR 64 H THR 64 -11.673 -1.165 15.410 475 HA THR 64 HA THR 64 -9.673 -0.811 13.290 476 HB THR 64 HB THR 64 -9.715 0.405 16.098 477 HG1 THR 64 HG1 THR 64 -11.326 0.958 14.210 478 HG21 THR 64 HG21 THR 64 -7.426 0.370 15.153 479 HG22 THR 64 HG22 THR 64 -8.053 2.017 15.197 480 HG23 THR 64 HG23 THR 64 -8.017 1.133 13.670 481 H LEU 65 H LEU 65 -8.107 -2.251 13.083 482 HA LEU 65 HA LEU 65 -7.660 -4.377 14.942 483 HB2 LEU 65 HB2 LEU 65 -6.170 -3.631 12.398 484 HB3 LEU 65 HB3 LEU 65 -6.036 -5.165 13.241 485 HG LEU 65 HG LEU 65 -8.647 -4.161 12.029 486 HD11 LEU 65 HD11 LEU 65 -8.257 -5.685 10.146 487 HD12 LEU 65 HD12 LEU 65 -6.654 -6.074 10.775 488 HD13 LEU 65 HD13 LEU 65 -7.014 -4.436 10.227 489 HD21 LEU 65 HD21 LEU 65 -8.923 -5.830 13.817 490 HD22 LEU 65 HD22 LEU 65 -7.839 -6.936 12.968 491 HD23 LEU 65 HD23 LEU 65 -9.389 -6.489 12.250 492 H GLN 66 H GLN 66 -6.268 -4.398 16.595 493 HA GLN 66 HA GLN 66 -4.412 -2.162 17.018 494 HB2 GLN 66 HB2 GLN 66 -5.334 -4.369 18.918 495 HB3 GLN 66 HB3 GLN 66 -4.375 -2.964 19.374 496 HG2 GLN 66 HG2 GLN 66 -7.241 -2.929 18.357 497 HG3 GLN 66 HG3 GLN 66 -6.719 -2.686 20.025 498 HE21 GLN 66 HE21 GLN 66 -6.917 -1.259 16.847 499 HE22 GLN 66 HE22 GLN 66 -6.555 0.358 17.331 500 HA PRO 67 HA PRO 67 -0.507 -4.445 16.421 501 HB2 PRO 67 HB2 PRO 67 0.151 -3.496 19.222 502 HB3 PRO 67 HB3 PRO 67 1.151 -3.462 17.757 503 HG2 PRO 67 HG2 PRO 67 -0.035 -1.233 18.581 504 HG3 PRO 67 HG3 PRO 67 -0.018 -1.631 16.847 505 HD2 PRO 67 HD2 PRO 67 -2.274 -1.882 18.832 506 HD3 PRO 67 HD3 PRO 67 -2.321 -1.383 17.127 507 H GLY 68 H GLY 68 -0.659 -6.608 16.466 508 HA2 GLY 68 HA2 GLY 68 -0.172 -8.667 17.720 509 HA3 GLY 68 HA3 GLY 68 -1.184 -8.067 19.021 510 H ASP 69 H ASP 69 -3.041 -7.161 16.529 511 HA ASP 69 HA ASP 69 -4.727 -9.480 16.391 512 HB2 ASP 69 HB2 ASP 69 -4.652 -6.817 14.943 513 HB3 ASP 69 HB3 ASP 69 -5.613 -8.109 14.235 514 H GLN 70 H GLN 70 -4.397 -11.286 15.168 515 HA GLN 70 HA GLN 70 -2.490 -11.142 12.903 516 HB2 GLN 70 HB2 GLN 70 -2.092 -12.858 14.756 517 HB3 GLN 70 HB3 GLN 70 -3.542 -13.690 14.209 518 HG2 GLN 70 HG2 GLN 70 -2.553 -14.228 12.105 519 HG3 GLN 70 HG3 GLN 70 -1.210 -13.118 12.360 520 HE21 GLN 70 HE21 GLN 70 0.471 -13.728 13.778 521 HE22 GLN 70 HE22 GLN 70 0.712 -15.374 14.235 522 H VAL 71 H VAL 71 -3.302 -11.132 10.921 523 HA VAL 71 HA VAL 71 -6.181 -11.654 10.449 524 HB VAL 71 HB VAL 71 -6.255 -9.580 9.089 525 HG11 VAL 71 HG11 VAL 71 -6.869 -9.373 11.468 526 HG12 VAL 71 HG12 VAL 71 -6.096 -7.889 10.907 527 HG13 VAL 71 HG13 VAL 71 -5.187 -9.039 11.893 528 HG21 VAL 71 HG21 VAL 71 -3.362 -9.130 9.951 529 HG22 VAL 71 HG22 VAL 71 -4.356 -7.953 9.087 530 HG23 VAL 71 HG23 VAL 71 -3.918 -9.476 8.311 531 H ILE 72 H ILE 72 -6.665 -11.734 8.007 532 HA ILE 72 HA ILE 72 -4.385 -12.798 6.411 533 HB ILE 72 HB ILE 72 -7.355 -13.386 5.981 534 HG12 ILE 72 HG12 ILE 72 -6.567 -14.507 8.039 535 HG13 ILE 72 HG13 ILE 72 -6.885 -15.691 6.781 536 HG21 ILE 72 HG21 ILE 72 -4.923 -14.575 4.583 537 HG22 ILE 72 HG22 ILE 72 -6.100 -13.470 3.872 538 HG23 ILE 72 HG23 ILE 72 -6.597 -15.093 4.347 539 HD11 ILE 72 HD11 ILE 72 -4.902 -16.273 8.011 540 HD12 ILE 72 HD12 ILE 72 -4.175 -14.703 7.671 541 HD13 ILE 72 HD13 ILE 72 -4.458 -15.851 6.358 542 H LEU 73 H LEU 73 -3.894 -11.810 4.503 543 HA LEU 73 HA LEU 73 -5.267 -9.328 3.747 544 HB2 LEU 73 HB2 LEU 73 -2.709 -10.579 2.660 545 HB3 LEU 73 HB3 LEU 73 -3.316 -8.977 2.256 546 HG LEU 73 HG LEU 73 -2.348 -9.856 5.014 547 HD11 LEU 73 HD11 LEU 73 -1.016 -8.014 2.997 548 HD12 LEU 73 HD12 LEU 73 -0.496 -9.645 3.425 549 HD13 LEU 73 HD13 LEU 73 -0.436 -8.363 4.630 550 HD21 LEU 73 HD21 LEU 73 -3.281 -7.108 4.091 551 HD22 LEU 73 HD22 LEU 73 -2.561 -7.480 5.662 552 HD23 LEU 73 HD23 LEU 73 -4.120 -8.173 5.225 553 H GLU 74 H GLU 74 -6.517 -9.099 1.963 554 HA GLU 74 HA GLU 74 -6.877 -11.385 0.112 555 HB2 GLU 74 HB2 GLU 74 -8.640 -8.945 0.517 556 HB3 GLU 74 HB3 GLU 74 -8.962 -10.247 -0.627 557 HG2 GLU 74 HG2 GLU 74 -8.922 -11.820 1.402 558 HG3 GLU 74 HG3 GLU 74 -8.991 -10.368 2.397 559 H ALA 75 H ALA 75 -5.204 -8.461 0.130 560 HA ALA 75 HA ALA 75 -5.149 -8.239 -2.823 561 HB1 ALA 75 HB1 ALA 75 -3.802 -6.510 -0.711 562 HB2 ALA 75 HB2 ALA 75 -5.297 -6.127 -1.565 563 HB3 ALA 75 HB3 ALA 75 -3.776 -6.221 -2.455 564 H SER 76 H SER 76 -3.158 -8.379 -3.969 565 HA SER 76 HA SER 76 -0.790 -9.359 -2.503 566 HB2 SER 76 HB2 SER 76 -0.271 -10.966 -4.324 567 HB3 SER 76 HB3 SER 76 -1.811 -11.349 -3.562 568 HG SER 76 HG SER 76 -1.410 -10.042 -6.051 569 H HIS 77 H HIS 77 0.737 -7.831 -2.816 570 HA HIS 77 HA HIS 77 1.251 -6.739 -5.492 571 HB2 HIS 77 HB2 HIS 77 2.830 -6.297 -2.904 572 HB3 HIS 77 HB3 HIS 77 2.884 -5.318 -4.367 573 HD2 HIS 77 HD2 HIS 77 -0.614 -5.171 -4.359 574 HE1 HIS 77 HE1 HIS 77 0.274 -2.839 -0.946 575 HE2 HIS 77 HE2 HIS 77 -1.484 -3.414 -2.663 576 H MET 78 H MET 78 2.021 -9.432 -3.549 577 HA MET 78 HA MET 78 4.555 -10.053 -4.956 578 HB2 MET 78 HB2 MET 78 3.998 -10.647 -2.013 579 HB3 MET 78 HB3 MET 78 5.506 -10.918 -2.882 580 HG2 MET 78 HG2 MET 78 5.683 -8.435 -3.186 581 HG3 MET 78 HG3 MET 78 4.267 -8.264 -2.143 582 HE1 MET 78 HE1 MET 78 5.550 -6.697 -0.457 583 HE2 MET 78 HE2 MET 78 6.957 -6.760 -1.522 584 HE3 MET 78 HE3 MET 78 7.140 -7.068 0.205 585 H LYS 79 H LYS 79 5.186 -12.421 -4.576 586 HA LYS 79 HA LYS 79 3.063 -14.206 -5.379 587 HB2 LYS 79 HB2 LYS 79 6.002 -14.740 -4.754 588 HB3 LYS 79 HB3 LYS 79 4.894 -15.926 -5.441 589 HG2 LYS 79 HG2 LYS 79 5.722 -13.311 -6.760 590 HG3 LYS 79 HG3 LYS 79 6.371 -14.913 -7.143 591 HD2 LYS 79 HD2 LYS 79 4.088 -15.645 -7.842 592 HD3 LYS 79 HD3 LYS 79 3.475 -14.022 -7.500 593 HE2 LYS 79 HE2 LYS 79 4.929 -13.088 -9.252 594 HE3 LYS 79 HE3 LYS 79 5.613 -14.686 -9.558 595 HZ1 LYS 79 HZ1 LYS 79 2.805 -13.852 -10.003 596 HZ2 LYS 79 HZ2 LYS 79 3.369 -15.433 -10.180 597 HZ3 LYS 79 HZ3 LYS 79 3.960 -14.205 -11.186 598 H GLY 80 H GLY 80 1.637 -14.822 -3.839 599 HA2 GLY 80 HA2 GLY 80 0.873 -16.146 -2.085 600 HA3 GLY 80 HA3 GLY 80 2.525 -16.350 -1.515 601 H MET 81 H MET 81 1.058 -13.198 -2.159 602 HA MET 81 HA MET 81 1.214 -12.429 0.669 603 HB2 MET 81 HB2 MET 81 2.041 -10.837 -1.013 604 HB3 MET 81 HB3 MET 81 0.476 -10.827 -1.816 605 HG2 MET 81 HG2 MET 81 -0.540 -9.778 0.168 606 HG3 MET 81 HG3 MET 81 1.027 -9.802 0.983 607 HE1 MET 81 HE1 MET 81 0.338 -5.983 0.045 608 HE2 MET 81 HE2 MET 81 0.550 -7.117 1.381 609 HE3 MET 81 HE3 MET 81 -0.917 -7.174 0.401 610 H LYS 82 H LYS 82 -1.270 -12.531 -1.928 611 HA LYS 82 HA LYS 82 -3.548 -12.179 -0.232 612 HB2 LYS 82 HB2 LYS 82 -3.683 -11.649 -2.613 613 HB3 LYS 82 HB3 LYS 82 -3.306 -13.313 -3.046 614 HG2 LYS 82 HG2 LYS 82 -5.446 -14.073 -2.105 615 HG3 LYS 82 HG3 LYS 82 -5.821 -12.424 -1.588 616 HD2 LYS 82 HD2 LYS 82 -5.930 -11.674 -3.913 617 HD3 LYS 82 HD3 LYS 82 -5.405 -13.262 -4.489 618 HE2 LYS 82 HE2 LYS 82 -8.002 -12.697 -3.008 619 HE3 LYS 82 HE3 LYS 82 -7.845 -12.942 -4.748 620 HZ1 LYS 82 HZ1 LYS 82 -7.207 -14.949 -2.652 621 HZ2 LYS 82 HZ2 LYS 82 -7.031 -15.184 -4.317 622 HZ3 LYS 82 HZ3 LYS 82 -8.568 -14.952 -3.654 623 H GLY 83 H GLY 83 -4.433 -13.626 1.124 624 HA2 GLY 83 HA2 GLY 83 -5.247 -15.668 1.908 625 HA3 GLY 83 HA3 GLY 83 -4.372 -16.515 0.644 626 H ALA 84 H ALA 84 -2.231 -14.375 2.052 627 HA ALA 84 HA ALA 84 -0.922 -16.430 3.667 628 HB1 ALA 84 HB1 ALA 84 0.426 -15.062 2.137 629 HB2 ALA 84 HB2 ALA 84 0.943 -14.831 3.806 630 HB3 ALA 84 HB3 ALA 84 -0.039 -13.599 3.004 631 H THR 85 H THR 85 -0.159 -15.994 5.807 632 HA THR 85 HA THR 85 -2.132 -14.681 7.510 633 HB THR 85 HB THR 85 0.336 -16.248 8.399 634 HG1 THR 85 HG1 THR 85 -0.917 -18.077 8.326 635 HG21 THR 85 HG21 THR 85 -0.752 -14.925 10.192 636 HG22 THR 85 HG22 THR 85 -0.993 -16.652 10.451 637 HG23 THR 85 HG23 THR 85 -2.308 -15.670 9.802 638 H ALA 86 H ALA 86 -1.842 -12.633 8.155 639 HA ALA 86 HA ALA 86 0.857 -11.418 8.309 640 HB1 ALA 86 HB1 ALA 86 -1.781 -10.048 7.633 641 HB2 ALA 86 HB2 ALA 86 -0.492 -10.427 6.490 642 HB3 ALA 86 HB3 ALA 86 -0.208 -9.251 7.773 643 H GLU 87 H GLU 87 1.097 -9.770 10.008 644 HA GLU 87 HA GLU 87 -0.939 -9.819 12.164 645 HB2 GLU 87 HB2 GLU 87 1.058 -11.191 12.816 646 HB3 GLU 87 HB3 GLU 87 2.089 -9.782 12.575 647 HG2 GLU 87 HG2 GLU 87 0.780 -8.598 14.376 648 HG3 GLU 87 HG3 GLU 87 -0.102 -10.100 14.660 649 H ILE 88 H ILE 88 -1.618 -7.845 12.734 650 HA ILE 88 HA ILE 88 -0.740 -5.424 11.578 651 HB ILE 88 HB ILE 88 -2.407 -5.801 14.112 652 HG12 ILE 88 HG12 ILE 88 -3.390 -6.989 12.155 653 HG13 ILE 88 HG13 ILE 88 -4.398 -5.646 12.676 654 HG21 ILE 88 HG21 ILE 88 -2.185 -3.361 12.296 655 HG22 ILE 88 HG22 ILE 88 -1.567 -3.498 13.943 656 HG23 ILE 88 HG23 ILE 88 -3.306 -3.531 13.652 657 HD11 ILE 88 HD11 ILE 88 -2.545 -5.651 10.295 658 HD12 ILE 88 HD12 ILE 88 -3.559 -4.299 10.807 659 HD13 ILE 88 HD13 ILE 88 -4.301 -5.802 10.260 660 H ASP 89 H ASP 89 1.353 -4.864 11.950 661 HA ASP 89 HA ASP 89 2.692 -4.865 14.487 662 HB2 ASP 89 HB2 ASP 89 3.943 -4.999 12.383 663 HB3 ASP 89 HB3 ASP 89 3.296 -3.454 11.850 664 H SER 90 H SER 90 0.755 -2.527 12.683 665 HA SER 90 HA SER 90 0.425 -0.727 14.894 666 HB2 SER 90 HB2 SER 90 2.693 0.008 14.209 667 HB3 SER 90 HB3 SER 90 2.127 0.288 12.562 668 HG SER 90 HG SER 90 1.784 2.238 13.308 669 H ALA 91 H ALA 91 -0.992 1.081 14.414 670 HA ALA 91 HA ALA 91 -2.679 0.803 11.978 671 HB1 ALA 91 HB1 ALA 91 -3.545 1.657 14.778 672 HB2 ALA 91 HB2 ALA 91 -3.874 0.094 14.027 673 HB3 ALA 91 HB3 ALA 91 -4.588 1.558 13.354 674 H GLU 92 H GLU 92 -3.435 2.770 11.001 675 HA GLU 92 HA GLU 92 -2.665 5.372 12.100 676 HB2 GLU 92 HB2 GLU 92 -0.613 4.656 10.920 677 HB3 GLU 92 HB3 GLU 92 -1.524 4.374 9.446 678 HG2 GLU 92 HG2 GLU 92 -0.231 6.457 9.343 679 HG3 GLU 92 HG3 GLU 92 -1.962 6.756 9.203 680 H LYS 93 H LYS 93 -4.140 6.933 11.578 681 HA LYS 93 HA LYS 93 -6.154 6.455 9.474 682 HB2 LYS 93 HB2 LYS 93 -5.983 8.390 11.810 683 HB3 LYS 93 HB3 LYS 93 -7.056 8.748 10.471 684 HG2 LYS 93 HG2 LYS 93 -8.283 7.721 12.300 685 HG3 LYS 93 HG3 LYS 93 -8.318 6.687 10.874 686 HD2 LYS 93 HD2 LYS 93 -6.730 5.146 11.856 687 HD3 LYS 93 HD3 LYS 93 -6.402 6.251 13.196 688 HE2 LYS 93 HE2 LYS 93 -7.885 4.377 13.870 689 HE3 LYS 93 HE3 LYS 93 -8.668 5.943 14.060 690 HZ1 LYS 93 HZ1 LYS 93 -9.833 5.543 11.952 691 HZ2 LYS 93 HZ2 LYS 93 -10.185 4.362 13.108 692 HZ3 LYS 93 HZ3 LYS 93 -9.119 4.014 11.846 693 H THR 94 H THR 94 -5.172 6.897 7.511 694 HA THR 94 HA THR 94 -4.093 9.612 7.018 695 HB THR 94 HB THR 94 -2.088 8.310 7.360 696 HG1 THR 94 HG1 THR 94 -2.503 8.562 4.539 697 HG21 THR 94 HG21 THR 94 -3.142 6.311 5.327 698 HG22 THR 94 HG22 THR 94 -2.996 6.036 7.065 699 HG23 THR 94 HG23 THR 94 -1.549 6.269 6.082 700 H THR 95 H THR 95 -4.199 10.310 4.769 701 HA THR 95 HA THR 95 -6.332 9.076 3.212 702 HB THR 95 HB THR 95 -4.540 11.452 2.499 703 HG1 THR 95 HG1 THR 95 -7.012 12.219 3.036 704 HG21 THR 95 HG21 THR 95 -6.318 12.033 0.861 705 HG22 THR 95 HG22 THR 95 -7.184 10.550 1.264 706 HG23 THR 95 HG23 THR 95 -5.602 10.460 0.485 707 H VAL 96 H VAL 96 -5.972 7.506 1.733 708 HA VAL 96 HA VAL 96 -3.218 6.902 0.865 709 HB VAL 96 HB VAL 96 -3.962 4.530 0.563 710 HG11 VAL 96 HG11 VAL 96 -4.292 5.604 3.389 711 HG12 VAL 96 HG12 VAL 96 -2.766 5.193 2.599 712 HG13 VAL 96 HG13 VAL 96 -3.941 3.926 2.956 713 HG21 VAL 96 HG21 VAL 96 -6.399 4.878 0.305 714 HG22 VAL 96 HG22 VAL 96 -6.518 5.397 1.987 715 HG23 VAL 96 HG23 VAL 96 -6.066 3.734 1.607 716 H TYR 97 H TYR 97 -2.811 6.656 -1.276 717 HA TYR 97 HA TYR 97 -4.986 7.318 -3.157 718 HB2 TYR 97 HB2 TYR 97 -2.004 7.917 -3.302 719 HB3 TYR 97 HB3 TYR 97 -3.128 8.218 -4.628 720 HD1 TYR 97 HD1 TYR 97 -2.135 9.282 -1.220 721 HD2 TYR 97 HD2 TYR 97 -4.725 10.069 -4.523 722 HE1 TYR 97 HE1 TYR 97 -2.755 11.438 -0.234 723 HE2 TYR 97 HE2 TYR 97 -5.325 12.233 -3.533 724 HH TYR 97 HH TYR 97 -3.619 13.556 -0.844 725 H MET 98 H MET 98 -5.289 6.249 -4.955 726 HA MET 98 HA MET 98 -3.555 4.004 -5.780 727 HB2 MET 98 HB2 MET 98 -5.978 3.503 -5.381 728 HB3 MET 98 HB3 MET 98 -6.423 4.736 -6.549 729 HG2 MET 98 HG2 MET 98 -5.394 3.427 -8.345 730 HG3 MET 98 HG3 MET 98 -4.890 2.202 -7.176 731 HE1 MET 98 HE1 MET 98 -8.051 4.021 -8.771 732 HE2 MET 98 HE2 MET 98 -8.372 4.131 -7.037 733 HE3 MET 98 HE3 MET 98 -9.368 3.092 -8.050 734 H VAL 99 H VAL 99 -2.202 4.504 -7.480 735 HA VAL 99 HA VAL 99 -2.742 6.924 -9.146 736 HB VAL 99 HB VAL 99 -0.302 7.521 -9.013 737 HG11 VAL 99 HG11 VAL 99 -1.714 7.473 -6.312 738 HG12 VAL 99 HG12 VAL 99 -1.913 8.698 -7.566 739 HG13 VAL 99 HG13 VAL 99 -0.360 8.522 -6.747 740 HG21 VAL 99 HG21 VAL 99 -0.156 5.388 -6.833 741 HG22 VAL 99 HG22 VAL 99 1.132 6.527 -7.240 742 HG23 VAL 99 HG23 VAL 99 0.629 5.308 -8.413 743 H ASP 100 H ASP 100 -1.178 7.077 -11.072 744 HA ASP 100 HA ASP 100 -0.111 4.498 -12.004 745 HB2 ASP 100 HB2 ASP 100 -1.031 4.687 -14.215 746 HB3 ASP 100 HB3 ASP 100 -2.358 4.831 -13.080 747 H TYR 101 H TYR 101 1.862 4.633 -13.009 748 HA TYR 101 HA TYR 101 3.000 7.188 -13.840 749 HB2 TYR 101 HB2 TYR 101 4.929 7.057 -12.256 750 HB3 TYR 101 HB3 TYR 101 3.403 7.305 -11.429 751 HD1 TYR 101 HD1 TYR 101 2.394 5.460 -10.065 752 HD2 TYR 101 HD2 TYR 101 6.254 5.020 -11.858 753 HE1 TYR 101 HE1 TYR 101 2.879 3.580 -8.567 754 HE2 TYR 101 HE2 TYR 101 6.728 3.129 -10.359 755 HH TYR 101 HH TYR 101 4.305 1.627 -8.456 756 H THR 102 H THR 102 5.452 6.816 -14.305 757 HA THR 102 HA THR 102 5.839 4.218 -15.700 758 HB THR 102 HB THR 102 7.108 6.920 -16.392 759 HG1 THR 102 HG1 THR 102 4.912 6.758 -17.016 760 HG21 THR 102 HG21 THR 102 7.349 4.247 -17.843 761 HG22 THR 102 HG22 THR 102 8.633 5.025 -16.914 762 HG23 THR 102 HG23 THR 102 8.027 5.784 -18.386 763 H SER 103 H SER 103 7.106 2.974 -14.466 764 HA SER 103 HA SER 103 8.777 3.767 -12.367 765 HB2 SER 103 HB2 SER 103 9.691 1.428 -12.470 766 HB3 SER 103 HB3 SER 103 7.929 1.484 -12.494 767 HG SER 103 HG SER 103 7.911 0.735 -14.474 768 H THR 104 H THR 104 10.608 4.845 -12.427 769 HA THR 104 HA THR 104 12.015 5.703 -14.661 770 HB THR 104 HB THR 104 13.738 6.533 -13.032 771 HG1 THR 104 HG1 THR 104 12.329 5.777 -10.791 772 HG21 THR 104 HG21 THR 104 12.239 8.003 -11.723 773 HG22 THR 104 HG22 THR 104 10.863 6.979 -12.133 774 HG23 THR 104 HG23 THR 104 11.698 7.883 -13.399 775 H THR 105 H THR 105 12.674 2.862 -12.640 776 HA THR 105 HA THR 105 15.282 2.344 -13.872 777 HB THR 105 HB THR 105 15.429 0.376 -12.391 778 HG1 THR 105 HG1 THR 105 13.217 -0.249 -12.367 779 HG21 THR 105 HG21 THR 105 15.379 1.502 -10.196 780 HG22 THR 105 HG22 THR 105 14.412 2.811 -10.876 781 HG23 THR 105 HG23 THR 105 16.070 2.561 -11.428 782 H SER 106 H SER 106 12.026 0.898 -13.912 783 HA SER 106 HA SER 106 12.906 -1.424 -15.466 784 HB2 SER 106 HB2 SER 106 10.136 -0.781 -14.369 785 HB3 SER 106 HB3 SER 106 10.690 -2.347 -14.973 786 HG SER 106 HG SER 106 11.414 -2.710 -13.040 787 H GLY 107 H GLY 107 11.031 1.503 -15.942 788 HA2 GLY 107 HA2 GLY 107 10.467 2.564 -17.955 789 HA3 GLY 107 HA3 GLY 107 10.843 1.091 -18.833 790 H GLU 108 H GLU 108 8.956 0.065 -16.393 791 HA GLU 108 HA GLU 108 6.685 -0.434 -18.099 792 HB2 GLU 108 HB2 GLU 108 7.488 -2.199 -16.639 793 HB3 GLU 108 HB3 GLU 108 7.307 -1.183 -15.213 794 HG2 GLU 108 HG2 GLU 108 4.862 -1.224 -15.469 795 HG3 GLU 108 HG3 GLU 108 5.019 -2.182 -16.942 796 H LYS 109 H LYS 109 4.766 0.592 -18.145 797 HA LYS 109 HA LYS 109 4.184 2.866 -16.440 798 HB2 LYS 109 HB2 LYS 109 2.640 1.568 -18.726 799 HB3 LYS 109 HB3 LYS 109 2.003 2.919 -17.799 800 HG2 LYS 109 HG2 LYS 109 2.942 3.763 -19.859 801 HG3 LYS 109 HG3 LYS 109 3.938 4.313 -18.511 802 HD2 LYS 109 HD2 LYS 109 5.578 2.494 -19.029 803 HD3 LYS 109 HD3 LYS 109 4.585 2.017 -20.409 804 HE2 LYS 109 HE2 LYS 109 4.995 4.191 -21.475 805 HE3 LYS 109 HE3 LYS 109 5.914 4.731 -20.067 806 HZ1 LYS 109 HZ1 LYS 109 6.643 2.471 -21.848 807 HZ2 LYS 109 HZ2 LYS 109 7.525 2.977 -20.495 808 HZ3 LYS 109 HZ3 LYS 109 7.371 3.996 -21.837 809 H VAL 110 H VAL 110 3.842 2.214 -14.407 810 HA VAL 110 HA VAL 110 2.359 -0.166 -13.653 811 HB VAL 110 HB VAL 110 3.490 2.065 -11.890 812 HG11 VAL 110 HG11 VAL 110 3.370 0.417 -10.042 813 HG12 VAL 110 HG12 VAL 110 2.592 -0.745 -11.121 814 HG13 VAL 110 HG13 VAL 110 1.772 0.762 -10.705 815 HG21 VAL 110 HG21 VAL 110 4.763 -0.605 -12.644 816 HG22 VAL 110 HG22 VAL 110 5.431 0.575 -11.511 817 HG23 VAL 110 HG23 VAL 110 5.274 0.986 -13.219 818 H LYS 111 H LYS 111 0.176 -0.103 -13.856 819 HA LYS 111 HA LYS 111 -1.291 2.451 -13.598 820 HB2 LYS 111 HB2 LYS 111 -2.015 -0.159 -14.990 821 HB3 LYS 111 HB3 LYS 111 -3.111 1.217 -14.863 822 HG2 LYS 111 HG2 LYS 111 -0.393 1.282 -16.230 823 HG3 LYS 111 HG3 LYS 111 -1.941 1.077 -17.063 824 HD2 LYS 111 HD2 LYS 111 -2.678 3.285 -16.329 825 HD3 LYS 111 HD3 LYS 111 -1.229 3.489 -15.348 826 HE2 LYS 111 HE2 LYS 111 0.158 3.543 -17.370 827 HE3 LYS 111 HE3 LYS 111 -1.269 3.261 -18.372 828 HZ1 LYS 111 HZ1 LYS 111 -0.887 5.625 -16.610 829 HZ2 LYS 111 HZ2 LYS 111 -2.159 5.371 -17.696 830 HZ3 LYS 111 HZ3 LYS 111 -0.587 5.601 -18.274 831 H ASN 112 H ASN 112 -2.808 2.778 -12.079 832 HA ASN 112 HA ASN 112 -4.126 2.587 -10.248 833 HB2 ASN 112 HB2 ASN 112 -4.524 -0.285 -11.190 834 HB3 ASN 112 HB3 ASN 112 -5.533 0.544 -10.011 835 HD21 ASN 112 HD21 ASN 112 -6.914 2.220 -10.729 836 HD22 ASN 112 HD22 ASN 112 -7.326 2.400 -12.392 837 H HIS 113 H HIS 113 -1.342 2.210 -9.877 838 HA HIS 113 HA HIS 113 -0.590 0.181 -8.124 839 HB2 HIS 113 HB2 HIS 113 1.040 1.664 -9.216 840 HB3 HIS 113 HB3 HIS 113 0.453 3.040 -8.285 841 HD2 HIS 113 HD2 HIS 113 1.677 3.386 -5.863 842 HE1 HIS 113 HE1 HIS 113 3.468 -0.441 -5.646 843 HE2 HIS 113 HE2 HIS 113 3.007 1.713 -4.398 844 H LYS 114 H LYS 114 -0.903 -0.212 -6.049 845 HA LYS 114 HA LYS 114 -1.822 1.774 -4.114 846 HB2 LYS 114 HB2 LYS 114 -3.846 0.391 -3.529 847 HB3 LYS 114 HB3 LYS 114 -3.935 1.116 -5.132 848 HG2 LYS 114 HG2 LYS 114 -3.416 -1.004 -6.189 849 HG3 LYS 114 HG3 LYS 114 -3.091 -1.758 -4.630 850 HD2 LYS 114 HD2 LYS 114 -5.273 -2.461 -5.464 851 HD3 LYS 114 HD3 LYS 114 -5.467 -1.496 -4.000 852 HE2 LYS 114 HE2 LYS 114 -6.130 0.448 -5.336 853 HE3 LYS 114 HE3 LYS 114 -5.834 -0.445 -6.831 854 HZ1 LYS 114 HZ1 LYS 114 -8.171 -0.407 -6.286 855 HZ2 LYS 114 HZ2 LYS 114 -7.870 -1.111 -4.778 856 HZ3 LYS 114 HZ3 LYS 114 -7.581 -1.990 -6.195 857 H TRP 115 H TRP 115 -0.657 -0.460 -1.515 858 HA TRP 115 HA TRP 115 -2.077 2.009 -2.325 859 HB2 TRP 115 HB2 TRP 115 -1.879 0.694 0.422 860 HB3 TRP 115 HB3 TRP 115 -2.666 2.239 0.114 861 HD1 TRP 115 HD1 TRP 115 -3.397 -1.438 0.163 862 HE1 TRP 115 HE1 TRP 115 -5.758 -1.879 -0.747 863 HE3 TRP 115 HE3 TRP 115 -4.401 3.195 -1.765 864 HZ2 TRP 115 HZ2 TRP 115 -7.775 -0.463 -2.111 865 HZ3 TRP 115 HZ3 TRP 115 -6.572 3.569 -2.856 866 HH2 TRP 115 HH2 TRP 115 -8.229 1.776 -3.023 867 H VAL 116 H VAL 116 -1.221 3.933 -2.024 868 HA VAL 116 HA VAL 116 1.250 4.324 -0.401 869 HB VAL 116 HB VAL 116 1.840 6.278 -1.845 870 HG11 VAL 116 HG11 VAL 116 1.598 3.683 -3.417 871 HG12 VAL 116 HG12 VAL 116 2.913 4.121 -2.324 872 HG13 VAL 116 HG13 VAL 116 2.670 5.031 -3.814 873 HG21 VAL 116 HG21 VAL 116 -0.402 6.854 -2.697 874 HG22 VAL 116 HG22 VAL 116 -0.443 5.369 -3.648 875 HG23 VAL 116 HG23 VAL 116 0.727 6.632 -4.035 876 H THR 117 H THR 117 1.351 6.749 0.344 877 HA THR 117 HA THR 117 -1.346 7.747 1.098 878 HB THR 117 HB THR 117 -0.500 8.625 3.193 879 HG1 THR 117 HG1 THR 117 2.002 7.570 3.287 880 HG21 THR 117 HG21 THR 117 0.154 6.570 4.398 881 HG22 THR 117 HG22 THR 117 0.474 5.765 2.861 882 HG23 THR 117 HG23 THR 117 -1.170 6.261 3.275 883 H GLU 118 H GLU 118 -1.149 10.195 1.829 884 HA GLU 118 HA GLU 118 -0.231 11.758 -0.357 885 HB2 GLU 118 HB2 GLU 118 -2.135 12.379 1.178 886 HB3 GLU 118 HB3 GLU 118 -0.958 12.762 2.432 887 HG2 GLU 118 HG2 GLU 118 -0.041 14.570 1.116 888 HG3 GLU 118 HG3 GLU 118 -0.995 14.115 -0.290 889 H ASP 119 H ASP 119 1.298 10.779 2.655 890 HA ASP 119 HA ASP 119 3.480 12.691 2.474 891 HB2 ASP 119 HB2 ASP 119 2.517 11.803 4.662 892 HB3 ASP 119 HB3 ASP 119 3.299 10.266 4.308 893 H GLU 120 H GLU 120 2.843 9.545 1.135 894 HA GLU 120 HA GLU 120 5.632 8.946 0.528 895 HB2 GLU 120 HB2 GLU 120 3.195 7.717 -0.827 896 HB3 GLU 120 HB3 GLU 120 4.830 7.065 -0.762 897 HG2 GLU 120 HG2 GLU 120 2.826 7.247 1.509 898 HG3 GLU 120 HG3 GLU 120 3.357 5.793 0.674 899 H LEU 121 H LEU 121 3.234 11.034 -0.734 900 HA LEU 121 HA LEU 121 4.474 11.203 -3.422 901 HB2 LEU 121 HB2 LEU 121 1.611 11.868 -2.599 902 HB3 LEU 121 HB3 LEU 121 2.271 12.020 -4.222 903 HG LEU 121 HG LEU 121 1.845 9.401 -2.715 904 HD11 LEU 121 HD11 LEU 121 0.321 10.560 -5.077 905 HD12 LEU 121 HD12 LEU 121 -0.274 10.410 -3.421 906 HD13 LEU 121 HD13 LEU 121 0.070 8.962 -4.365 907 HD21 LEU 121 HD21 LEU 121 2.841 9.853 -5.553 908 HD22 LEU 121 HD22 LEU 121 2.454 8.287 -4.833 909 HD23 LEU 121 HD23 LEU 121 3.791 9.238 -4.196 910 H SER 122 H SER 122 4.542 13.331 -4.335 911 HA SER 122 HA SER 122 4.075 15.674 -2.584 912 HB2 SER 122 HB2 SER 122 6.610 15.225 -4.244 913 HB3 SER 122 HB3 SER 122 6.201 16.716 -3.390 914 HG SER 122 HG SER 122 6.591 14.176 -2.189 915 H ALA 123 H ALA 123 3.090 17.371 -3.749 916 HA ALA 123 HA ALA 123 1.996 16.955 -6.299 917 HB1 ALA 123 HB1 ALA 123 2.534 19.623 -4.951 918 HB2 ALA 123 HB2 ALA 123 1.111 18.609 -4.714 919 HB3 ALA 123 HB3 ALA 123 1.408 19.339 -6.289 920 H LYS 124 H LYS 124 2.454 18.121 -8.364 921 HA LYS 124 HA LYS 124 5.018 17.644 -9.347 922 HB2 LYS 124 HB2 LYS 124 2.976 17.823 -10.726 923 HB3 LYS 124 HB3 LYS 124 2.907 19.551 -10.429 924 HG2 LYS 124 HG2 LYS 124 3.753 19.133 -12.658 925 HG3 LYS 124 HG3 LYS 124 5.034 19.846 -11.671 926 HD2 LYS 124 HD2 LYS 124 6.083 17.651 -11.384 927 HD3 LYS 124 HD3 LYS 124 4.751 16.867 -12.240 928 HE2 LYS 124 HE2 LYS 124 6.648 18.900 -13.468 929 HE3 LYS 124 HE3 LYS 124 6.781 17.150 -13.652 930 HZ1 LYS 124 HZ1 LYS 124 4.604 17.141 -14.724 931 HZ2 LYS 124 HZ2 LYS 124 5.689 18.139 -15.554 932 HZ3 LYS 124 HZ3 LYS 124 4.498 18.825 -14.570 933 H LEU 125 H LEU 125 3.692 20.689 -8.076 934 HA LEU 125 HA LEU 125 6.104 22.248 -8.322 935 HB2 LEU 125 HB2 LEU 125 3.921 23.355 -8.142 936 HB3 LEU 125 HB3 LEU 125 3.626 22.596 -6.589 937 HG LEU 125 HG LEU 125 5.600 23.920 -5.661 938 HD11 LEU 125 HD11 LEU 125 5.421 25.437 -8.280 939 HD12 LEU 125 HD12 LEU 125 6.763 24.415 -7.756 940 HD13 LEU 125 HD13 LEU 125 6.387 25.892 -6.874 941 HD21 LEU 125 HD21 LEU 125 3.264 25.546 -6.715 942 HD22 LEU 125 HD22 LEU 125 4.338 26.008 -5.392 943 HD23 LEU 125 HD23 LEU 125 3.290 24.604 -5.221 944 H GLU 126 H GLU 126 4.555 20.444 -5.657 945 HA GLU 126 HA GLU 126 6.231 21.335 -3.568 946 HB2 GLU 126 HB2 GLU 126 3.974 20.496 -3.134 947 HB3 GLU 126 HB3 GLU 126 4.411 18.899 -3.713 948 HG2 GLU 126 HG2 GLU 126 4.309 18.797 -1.331 949 HG3 GLU 126 HG3 GLU 126 6.004 18.687 -1.786 950 H HIS 127 H HIS 127 7.946 20.422 -2.484 951 HA HIS 127 HA HIS 127 9.057 17.832 -3.137 952 HB2 HIS 127 HB2 HIS 127 9.892 19.312 -5.001 953 HB3 HIS 127 HB3 HIS 127 10.691 20.326 -3.810 954 HD1 HIS 127 HD1 HIS 127 13.010 19.612 -3.092 955 HD2 HIS 127 HD2 HIS 127 11.019 16.649 -5.223 956 HE1 HIS 127 HE1 HIS 127 14.721 17.844 -3.536 957 HE2 HIS 127 HE2 HIS 127 13.550 16.160 -4.987 958 H HIS 128 H HIS 128 9.095 17.238 -0.982 959 HA HIS 128 HA HIS 128 11.171 18.523 0.685 960 HB2 HIS 128 HB2 HIS 128 8.335 17.911 1.554 961 HB3 HIS 128 HB3 HIS 128 9.637 17.878 2.734 962 HD1 HIS 128 HD1 HIS 128 7.614 20.234 0.642 963 HD2 HIS 128 HD2 HIS 128 10.682 20.393 3.440 964 HE1 HIS 128 HE1 HIS 128 7.787 22.643 1.303 965 HE2 HIS 128 HE2 HIS 128 9.491 22.671 3.150 966 H HIS 129 H HIS 129 12.699 16.946 0.435 967 HA HIS 129 HA HIS 129 12.122 14.136 0.378 968 HB2 HIS 129 HB2 HIS 129 14.531 13.780 0.258 969 HB3 HIS 129 HB3 HIS 129 14.082 15.098 -0.809 970 HD1 HIS 129 HD1 HIS 129 14.898 17.511 -0.124 971 HD2 HIS 129 HD2 HIS 129 16.359 14.433 2.260 972 HE1 HIS 129 HE1 HIS 129 16.792 18.508 1.175 973 HE2 HIS 129 HE2 HIS 129 17.562 16.677 2.711 974 H HIS 130 H HIS 130 11.928 12.711 2.030 975 HA HIS 130 HA HIS 130 13.073 13.244 4.672 976 HB2 HIS 130 HB2 HIS 130 10.871 12.924 5.834 977 HB3 HIS 130 HB3 HIS 130 10.974 14.406 4.902 978 HD1 HIS 130 HD1 HIS 130 9.057 14.864 3.402 979 HD2 HIS 130 HD2 HIS 130 9.271 10.843 4.425 980 HE1 HIS 130 HE1 HIS 130 6.967 13.830 2.499 981 HE2 HIS 130 HE2 HIS 130 6.985 11.492 3.397 982 H HIS 131 H HIS 131 12.449 11.078 2.278 983 HA HIS 131 HA HIS 131 13.413 8.817 3.717 984 HB2 HIS 131 HB2 HIS 131 10.452 8.993 3.247 985 HB3 HIS 131 HB3 HIS 131 11.184 7.456 2.825 986 HD1 HIS 131 HD1 HIS 131 9.932 9.378 5.687 987 HD2 HIS 131 HD2 HIS 131 12.432 6.114 5.080 988 HE1 HIS 131 HE1 HIS 131 10.066 8.220 7.903 989 HE2 HIS 131 HE2 HIS 131 11.433 6.157 7.461 990 H HIS 132 H HIS 132 13.572 6.870 2.299 991 HA HIS 132 HA HIS 132 14.264 7.508 -0.452 992 HB2 HIS 132 HB2 HIS 132 15.703 6.012 0.900 993 HB3 HIS 132 HB3 HIS 132 14.387 4.862 1.079 994 HD1 HIS 132 HD1 HIS 132 13.673 3.534 -1.092 995 HD2 HIS 132 HD2 HIS 132 17.167 5.761 -1.462 996 HE1 HIS 132 HE1 HIS 132 14.803 2.666 -3.160 997 HE2 HIS 132 HE2 HIS 132 16.966 3.944 -3.296 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -4.530 15.240 -2.146 2 H2 MET 1 H2 MET 1 -5.713 14.058 -2.421 3 H3 MET 1 H3 MET 1 -6.124 15.698 -2.474 4 HA MET 1 HA MET 1 -4.804 16.068 -4.402 5 HB2 MET 1 HB2 MET 1 -4.129 13.098 -4.234 6 HB3 MET 1 HB3 MET 1 -3.695 14.159 -5.571 7 HG2 MET 1 HG2 MET 1 -2.703 14.373 -2.721 8 HG3 MET 1 HG3 MET 1 -1.786 13.817 -4.126 9 HE1 MET 1 HE1 MET 1 0.147 15.624 -3.446 10 HE2 MET 1 HE2 MET 1 -0.849 16.144 -2.085 11 HE3 MET 1 HE3 MET 1 -0.200 17.336 -3.208 12 H LYS 2 H LYS 2 -6.412 16.482 -5.755 13 HA LYS 2 HA LYS 2 -8.769 14.922 -6.156 14 HB2 LYS 2 HB2 LYS 2 -8.632 17.416 -6.335 15 HB3 LYS 2 HB3 LYS 2 -7.631 17.247 -7.770 16 HG2 LYS 2 HG2 LYS 2 -9.622 16.040 -8.851 17 HG3 LYS 2 HG3 LYS 2 -10.569 16.551 -7.454 18 HD2 LYS 2 HD2 LYS 2 -10.942 18.138 -9.259 19 HD3 LYS 2 HD3 LYS 2 -10.011 18.939 -7.990 20 HE2 LYS 2 HE2 LYS 2 -7.934 18.569 -9.299 21 HE3 LYS 2 HE3 LYS 2 -8.876 17.786 -10.568 22 HZ1 LYS 2 HZ1 LYS 2 -9.087 20.614 -9.701 23 HZ2 LYS 2 HZ2 LYS 2 -10.082 19.887 -10.855 24 HZ3 LYS 2 HZ3 LYS 2 -8.426 20.049 -11.148 25 H VAL 3 H VAL 3 -9.459 13.875 -8.168 26 HA VAL 3 HA VAL 3 -7.568 12.349 -9.599 27 HB VAL 3 HB VAL 3 -10.401 13.071 -10.482 28 HG11 VAL 3 HG11 VAL 3 -10.332 10.980 -11.811 29 HG12 VAL 3 HG12 VAL 3 -8.645 10.739 -11.352 30 HG13 VAL 3 HG13 VAL 3 -9.100 12.123 -12.346 31 HG21 VAL 3 HG21 VAL 3 -10.387 12.063 -8.230 32 HG22 VAL 3 HG22 VAL 3 -9.454 10.691 -8.833 33 HG23 VAL 3 HG23 VAL 3 -11.102 10.961 -9.407 34 H GLY 4 H GLY 4 -6.319 12.788 -11.353 35 HA2 GLY 4 HA2 GLY 4 -5.722 13.806 -13.407 36 HA3 GLY 4 HA3 GLY 4 -6.761 15.172 -13.030 37 H SER 5 H SER 5 -5.104 14.540 -10.208 38 HA SER 5 HA SER 5 -3.511 16.928 -10.445 39 HB2 SER 5 HB2 SER 5 -4.563 16.370 -8.297 40 HB3 SER 5 HB3 SER 5 -3.645 14.868 -8.201 41 HG SER 5 HG SER 5 -2.917 17.354 -7.449 42 H GLN 6 H GLN 6 -1.422 17.126 -11.052 43 HA GLN 6 HA GLN 6 0.225 14.773 -11.613 44 HB2 GLN 6 HB2 GLN 6 0.907 17.724 -11.996 45 HB3 GLN 6 HB3 GLN 6 1.775 16.349 -12.672 46 HG2 GLN 6 HG2 GLN 6 -1.020 17.269 -13.403 47 HG3 GLN 6 HG3 GLN 6 0.442 17.438 -14.363 48 HE21 GLN 6 HE21 GLN 6 -2.044 15.255 -13.321 49 HE22 GLN 6 HE22 GLN 6 -1.644 13.980 -14.413 50 H VAL 7 H VAL 7 1.289 13.930 -9.954 51 HA VAL 7 HA VAL 7 2.720 15.648 -7.990 52 HB VAL 7 HB VAL 7 2.310 13.911 -6.229 53 HG11 VAL 7 HG11 VAL 7 -0.052 14.474 -5.757 54 HG12 VAL 7 HG12 VAL 7 -0.250 15.064 -7.409 55 HG13 VAL 7 HG13 VAL 7 0.851 15.890 -6.302 56 HG21 VAL 7 HG21 VAL 7 0.405 12.642 -8.246 57 HG22 VAL 7 HG22 VAL 7 0.569 12.173 -6.551 58 HG23 VAL 7 HG23 VAL 7 1.917 11.938 -7.665 59 H ILE 8 H ILE 8 4.666 14.740 -7.115 60 HA ILE 8 HA ILE 8 5.990 12.614 -8.688 61 HB ILE 8 HB ILE 8 7.183 14.745 -6.842 62 HG12 ILE 8 HG12 ILE 8 6.369 15.684 -8.992 63 HG13 ILE 8 HG13 ILE 8 8.122 15.764 -8.888 64 HG21 ILE 8 HG21 ILE 8 8.570 12.730 -6.735 65 HG22 ILE 8 HG22 ILE 8 9.417 13.988 -7.633 66 HG23 ILE 8 HG23 ILE 8 8.653 12.652 -8.496 67 HD11 ILE 8 HD11 ILE 8 8.284 13.795 -10.363 68 HD12 ILE 8 HD12 ILE 8 7.421 15.137 -11.112 69 HD13 ILE 8 HD13 ILE 8 6.521 13.758 -10.483 70 H ILE 9 H ILE 9 6.635 10.722 -7.659 71 HA ILE 9 HA ILE 9 5.585 10.152 -5.020 72 HB ILE 9 HB ILE 9 7.378 8.420 -6.773 73 HG12 ILE 9 HG12 ILE 9 4.326 8.435 -6.563 74 HG13 ILE 9 HG13 ILE 9 5.256 9.020 -7.940 75 HG21 ILE 9 HG21 ILE 9 6.535 6.523 -5.424 76 HG22 ILE 9 HG22 ILE 9 5.615 7.642 -4.415 77 HG23 ILE 9 HG23 ILE 9 7.378 7.699 -4.416 78 HD11 ILE 9 HD11 ILE 9 6.088 6.745 -8.326 79 HD12 ILE 9 HD12 ILE 9 4.329 6.839 -8.378 80 HD13 ILE 9 HD13 ILE 9 5.129 6.171 -6.957 81 H ASN 10 H ASN 10 6.626 10.582 -3.171 82 HA ASN 10 HA ASN 10 9.393 11.491 -3.110 83 HB2 ASN 10 HB2 ASN 10 7.717 12.806 -1.897 84 HB3 ASN 10 HB3 ASN 10 7.200 11.390 -0.986 85 HD21 ASN 10 HD21 ASN 10 8.482 10.659 0.738 86 HD22 ASN 10 HD22 ASN 10 9.750 11.620 1.413 87 H THR 11 H THR 11 7.417 9.133 -1.270 88 HA THR 11 HA THR 11 9.807 7.687 -0.334 89 HB THR 11 HB THR 11 6.852 7.375 0.373 90 HG1 THR 11 HG1 THR 11 7.752 8.223 2.455 91 HG21 THR 11 HG21 THR 11 9.265 6.020 1.633 92 HG22 THR 11 HG22 THR 11 7.990 5.226 0.708 93 HG23 THR 11 HG23 THR 11 7.616 5.962 2.266 94 H SER 12 H SER 12 10.240 5.540 -0.922 95 HA SER 12 HA SER 12 8.597 4.348 -3.085 96 HB2 SER 12 HB2 SER 12 10.683 3.767 -4.298 97 HB3 SER 12 HB3 SER 12 10.504 5.509 -4.118 98 HG SER 12 HG SER 12 12.641 4.608 -3.664 99 H HIS 13 H HIS 13 7.963 2.387 -2.540 100 HA HIS 13 HA HIS 13 9.371 0.653 -0.661 101 HB2 HIS 13 HB2 HIS 13 6.940 0.057 -2.420 102 HB3 HIS 13 HB3 HIS 13 7.489 -0.894 -1.040 103 HD2 HIS 13 HD2 HIS 13 5.541 2.405 -1.799 104 HE1 HIS 13 HE1 HIS 13 5.505 1.716 2.362 105 HE2 HIS 13 HE2 HIS 13 4.692 3.218 0.507 106 H MET 14 H MET 14 8.488 0.633 -4.083 107 HA MET 14 HA MET 14 10.725 -1.106 -4.869 108 HB2 MET 14 HB2 MET 14 8.605 0.328 -6.555 109 HB3 MET 14 HB3 MET 14 9.707 -0.891 -7.136 110 HG2 MET 14 HG2 MET 14 7.590 -1.942 -6.896 111 HG3 MET 14 HG3 MET 14 8.567 -2.509 -5.544 112 HE1 MET 14 HE1 MET 14 4.939 -2.298 -4.000 113 HE2 MET 14 HE2 MET 14 6.335 -3.345 -4.262 114 HE3 MET 14 HE3 MET 14 5.373 -2.793 -5.634 115 H LYS 15 H LYS 15 12.675 -0.157 -5.727 116 HA LYS 15 HA LYS 15 13.195 2.547 -5.037 117 HB2 LYS 15 HB2 LYS 15 15.436 2.238 -5.936 118 HB3 LYS 15 HB3 LYS 15 14.951 0.821 -5.013 119 HG2 LYS 15 HG2 LYS 15 14.484 -0.393 -7.124 120 HG3 LYS 15 HG3 LYS 15 14.984 1.028 -8.050 121 HD2 LYS 15 HD2 LYS 15 17.259 0.857 -7.050 122 HD3 LYS 15 HD3 LYS 15 16.754 -0.574 -6.151 123 HE2 LYS 15 HE2 LYS 15 18.023 -1.247 -8.110 124 HE3 LYS 15 HE3 LYS 15 16.343 -1.742 -8.310 125 HZ1 LYS 15 HZ1 LYS 15 15.990 0.202 -9.719 126 HZ2 LYS 15 HZ2 LYS 15 17.214 -0.790 -10.330 127 HZ3 LYS 15 HZ3 LYS 15 17.615 0.646 -9.540 128 H GLY 16 H GLY 16 12.068 1.195 -8.036 129 HA2 GLY 16 HA2 GLY 16 12.776 3.343 -9.802 130 HA3 GLY 16 HA3 GLY 16 11.626 2.059 -10.122 131 H MET 17 H MET 17 10.508 3.330 -7.329 132 HA MET 17 HA MET 17 8.428 4.922 -8.640 133 HB2 MET 17 HB2 MET 17 8.795 4.278 -5.682 134 HB3 MET 17 HB3 MET 17 7.331 4.897 -6.442 135 HG2 MET 17 HG2 MET 17 6.862 2.829 -7.467 136 HG3 MET 17 HG3 MET 17 8.513 2.240 -7.251 137 HE1 MET 17 HE1 MET 17 5.168 2.119 -4.134 138 HE2 MET 17 HE2 MET 17 4.990 2.182 -5.887 139 HE3 MET 17 HE3 MET 17 5.510 3.617 -4.996 140 H LYS 18 H LYS 18 11.309 5.416 -6.679 141 HA LYS 18 HA LYS 18 10.647 7.968 -5.590 142 HB2 LYS 18 HB2 LYS 18 12.411 6.308 -4.742 143 HB3 LYS 18 HB3 LYS 18 13.466 6.891 -6.021 144 HG2 LYS 18 HG2 LYS 18 13.402 9.162 -5.056 145 HG3 LYS 18 HG3 LYS 18 12.286 8.607 -3.802 146 HD2 LYS 18 HD2 LYS 18 14.085 6.976 -3.058 147 HD3 LYS 18 HD3 LYS 18 15.184 7.765 -4.194 148 HE2 LYS 18 HE2 LYS 18 14.816 9.918 -2.975 149 HE3 LYS 18 HE3 LYS 18 13.817 9.053 -1.806 150 HZ1 LYS 18 HZ1 LYS 18 16.697 8.606 -2.351 151 HZ2 LYS 18 HZ2 LYS 18 15.765 7.667 -1.294 152 HZ3 LYS 18 HZ3 LYS 18 16.029 9.305 -0.967 153 H GLY 19 H GLY 19 10.473 9.829 -6.662 154 HA2 GLY 19 HA2 GLY 19 11.046 11.632 -8.032 155 HA3 GLY 19 HA3 GLY 19 12.361 10.694 -8.722 156 H ALA 20 H ALA 20 9.636 8.771 -8.885 157 HA ALA 20 HA ALA 20 9.299 9.105 -11.718 158 HB1 ALA 20 HB1 ALA 20 7.685 7.410 -9.779 159 HB2 ALA 20 HB2 ALA 20 9.115 6.888 -10.670 160 HB3 ALA 20 HB3 ALA 20 7.637 7.296 -11.542 161 H GLU 21 H GLU 21 7.683 10.075 -12.831 162 HA GLU 21 HA GLU 21 6.142 12.127 -11.464 163 HB2 GLU 21 HB2 GLU 21 7.453 12.569 -13.548 164 HB3 GLU 21 HB3 GLU 21 6.389 11.489 -14.437 165 HG2 GLU 21 HG2 GLU 21 4.506 12.985 -14.087 166 HG3 GLU 21 HG3 GLU 21 5.484 14.037 -13.066 167 H ALA 22 H ALA 22 4.317 11.416 -10.515 168 HA ALA 22 HA ALA 22 2.609 9.355 -11.739 169 HB1 ALA 22 HB1 ALA 22 3.379 8.991 -9.429 170 HB2 ALA 22 HB2 ALA 22 1.620 9.112 -9.508 171 HB3 ALA 22 HB3 ALA 22 2.576 10.477 -8.922 172 H THR 23 H THR 23 0.302 9.555 -11.714 173 HA THR 23 HA THR 23 -0.926 12.230 -11.395 174 HB THR 23 HB THR 23 -1.558 10.247 -13.642 175 HG1 THR 23 HG1 THR 23 0.254 11.417 -14.171 176 HG21 THR 23 HG21 THR 23 -3.149 11.955 -14.475 177 HG22 THR 23 HG22 THR 23 -2.851 12.940 -13.043 178 HG23 THR 23 HG23 THR 23 -3.620 11.359 -12.882 179 H VAL 24 H VAL 24 -2.865 12.166 -10.282 180 HA VAL 24 HA VAL 24 -3.492 9.699 -8.853 181 HB VAL 24 HB VAL 24 -4.744 12.475 -8.601 182 HG11 VAL 24 HG11 VAL 24 -6.233 10.738 -7.693 183 HG12 VAL 24 HG12 VAL 24 -5.563 11.716 -6.389 184 HG13 VAL 24 HG13 VAL 24 -4.919 10.100 -6.697 185 HG21 VAL 24 HG21 VAL 24 -2.525 11.210 -6.934 186 HG22 VAL 24 HG22 VAL 24 -3.267 12.785 -6.650 187 HG23 VAL 24 HG23 VAL 24 -2.323 12.514 -8.110 188 H THR 25 H THR 25 -4.802 8.231 -9.871 189 HA THR 25 HA THR 25 -6.950 9.050 -11.688 190 HB THR 25 HB THR 25 -7.362 6.622 -12.019 191 HG1 THR 25 HG1 THR 25 -6.021 5.115 -10.950 192 HG21 THR 25 HG21 THR 25 -5.627 7.666 -13.414 193 HG22 THR 25 HG22 THR 25 -5.204 5.996 -13.039 194 HG23 THR 25 HG23 THR 25 -4.408 7.318 -12.184 195 H GLY 26 H GLY 26 -6.616 8.283 -8.309 196 HA2 GLY 26 HA2 GLY 26 -9.345 8.872 -7.735 197 HA3 GLY 26 HA3 GLY 26 -9.068 7.138 -7.634 198 H ALA 27 H ALA 27 -9.945 8.461 -5.448 199 HA ALA 27 HA ALA 27 -7.649 8.445 -3.573 200 HB1 ALA 27 HB1 ALA 27 -9.923 10.472 -3.556 201 HB2 ALA 27 HB2 ALA 27 -8.254 10.794 -4.032 202 HB3 ALA 27 HB3 ALA 27 -8.624 10.362 -2.363 203 H TYR 28 H TYR 28 -8.017 7.402 -1.657 204 HA TYR 28 HA TYR 28 -10.730 6.379 -0.995 205 HB2 TYR 28 HB2 TYR 28 -8.082 4.857 -0.820 206 HB3 TYR 28 HB3 TYR 28 -9.615 4.270 -0.189 207 HD1 TYR 28 HD1 TYR 28 -7.943 5.297 -3.408 208 HD2 TYR 28 HD2 TYR 28 -11.012 2.939 -1.586 209 HE1 TYR 28 HE1 TYR 28 -8.373 4.187 -5.560 210 HE2 TYR 28 HE2 TYR 28 -11.435 1.832 -3.733 211 HH TYR 28 HH TYR 28 -11.113 2.345 -6.184 212 H ASP 29 H ASP 29 -11.286 7.361 0.893 213 HA ASP 29 HA ASP 29 -9.226 8.039 2.902 214 HB2 ASP 29 HB2 ASP 29 -11.033 9.489 3.915 215 HB3 ASP 29 HB3 ASP 29 -10.537 9.958 2.295 216 H THR 30 H THR 30 -8.960 5.862 3.577 217 HA THR 30 HA THR 30 -11.035 4.835 5.436 218 HB THR 30 HB THR 30 -11.282 3.531 3.374 219 HG1 THR 30 HG1 THR 30 -11.620 1.912 4.671 220 HG21 THR 30 HG21 THR 30 -8.343 2.797 3.666 221 HG22 THR 30 HG22 THR 30 -9.035 3.809 2.396 222 HG23 THR 30 HG23 THR 30 -9.464 2.101 2.493 223 H THR 31 H THR 31 -10.096 3.021 6.856 224 HA THR 31 HA THR 31 -7.737 3.976 8.198 225 HB THR 31 HB THR 31 -8.982 1.252 8.775 226 HG1 THR 31 HG1 THR 31 -10.715 2.142 9.658 227 HG21 THR 31 HG21 THR 31 -6.973 1.939 10.076 228 HG22 THR 31 HG22 THR 31 -8.398 1.815 11.106 229 HG23 THR 31 HG23 THR 31 -7.817 3.403 10.600 230 H ALA 32 H ALA 32 -5.664 3.388 7.788 231 HA ALA 32 HA ALA 32 -5.109 1.093 5.986 232 HB1 ALA 32 HB1 ALA 32 -3.334 2.414 4.954 233 HB2 ALA 32 HB2 ALA 32 -3.674 3.769 6.037 234 HB3 ALA 32 HB3 ALA 32 -4.871 3.274 4.837 235 H TYR 33 H TYR 33 -3.065 0.029 6.327 236 HA TYR 33 HA TYR 33 -2.035 0.270 9.093 237 HB2 TYR 33 HB2 TYR 33 -3.016 -2.314 7.797 238 HB3 TYR 33 HB3 TYR 33 -2.235 -2.200 9.373 239 HD1 TYR 33 HD1 TYR 33 -3.404 -0.813 11.196 240 HD2 TYR 33 HD2 TYR 33 -5.394 -2.041 7.619 241 HE1 TYR 33 HE1 TYR 33 -5.574 -0.430 12.271 242 HE2 TYR 33 HE2 TYR 33 -7.569 -1.653 8.702 243 HH TYR 33 HH TYR 33 -8.506 -1.537 10.978 244 H VAL 34 H VAL 34 -0.078 -0.593 9.512 245 HA VAL 34 HA VAL 34 1.687 -1.463 7.303 246 HB VAL 34 HB VAL 34 2.388 -0.530 10.138 247 HG11 VAL 34 HG11 VAL 34 4.728 -0.461 9.360 248 HG12 VAL 34 HG12 VAL 34 4.232 -1.124 7.799 249 HG13 VAL 34 HG13 VAL 34 4.064 -2.094 9.264 250 HG21 VAL 34 HG21 VAL 34 1.506 1.332 8.776 251 HG22 VAL 34 HG22 VAL 34 2.688 0.983 7.514 252 HG23 VAL 34 HG23 VAL 34 3.229 1.542 9.097 253 H VAL 35 H VAL 35 2.419 -3.619 7.366 254 HA VAL 35 HA VAL 35 1.761 -5.301 9.711 255 HB VAL 35 HB VAL 35 1.137 -7.189 8.108 256 HG11 VAL 35 HG11 VAL 35 -1.176 -6.423 7.750 257 HG12 VAL 35 HG12 VAL 35 -0.689 -4.761 8.083 258 HG13 VAL 35 HG13 VAL 35 -0.592 -5.980 9.355 259 HG21 VAL 35 HG21 VAL 35 0.427 -6.610 5.806 260 HG22 VAL 35 HG22 VAL 35 2.146 -6.285 6.037 261 HG23 VAL 35 HG23 VAL 35 0.989 -4.952 6.038 262 H SER 36 H SER 36 2.825 -7.360 9.760 263 HA SER 36 HA SER 36 5.238 -7.733 8.099 264 HB2 SER 36 HB2 SER 36 5.969 -6.951 10.342 265 HB3 SER 36 HB3 SER 36 5.060 -8.256 11.106 266 HG SER 36 HG SER 36 6.682 -9.523 10.720 267 H TYR 37 H TYR 37 5.333 -9.753 7.211 268 HA TYR 37 HA TYR 37 3.761 -12.005 8.151 269 HB2 TYR 37 HB2 TYR 37 2.315 -12.194 6.163 270 HB3 TYR 37 HB3 TYR 37 2.014 -10.673 6.986 271 HD1 TYR 37 HD2 TYR 37 2.887 -8.518 5.983 272 HD2 TYR 37 HD1 TYR 37 3.099 -12.217 3.839 273 HE1 TYR 37 HE2 TYR 37 3.246 -7.296 3.893 274 HE2 TYR 37 HE1 TYR 37 3.467 -10.973 1.746 275 HH TYR 37 HH TYR 37 3.001 -8.694 0.848 276 H THR 38 H THR 38 4.054 -13.923 6.814 277 HA THR 38 HA THR 38 6.505 -13.870 5.129 278 HB THR 38 HB THR 38 5.319 -16.307 6.543 279 HG1 THR 38 HG1 THR 38 6.947 -16.044 8.031 280 HG21 THR 38 HG21 THR 38 7.446 -17.418 5.930 281 HG22 THR 38 HG22 THR 38 7.981 -15.961 5.091 282 HG23 THR 38 HG23 THR 38 6.599 -16.871 4.480 283 HA PRO 39 HA PRO 39 3.452 -14.789 1.794 284 HB2 PRO 39 HB2 PRO 39 5.391 -15.124 -0.186 285 HB3 PRO 39 HB3 PRO 39 4.691 -13.565 0.265 286 HG2 PRO 39 HG2 PRO 39 7.281 -14.823 1.160 287 HG3 PRO 39 HG3 PRO 39 6.963 -13.145 0.665 288 HD2 PRO 39 HD2 PRO 39 7.162 -13.798 3.264 289 HD3 PRO 39 HD3 PRO 39 5.966 -12.595 2.727 290 H THR 40 H THR 40 2.617 -16.755 1.301 291 HA THR 40 HA THR 40 3.662 -19.187 2.343 292 HB THR 40 HB THR 40 1.737 -20.288 1.157 293 HG1 THR 40 HG1 THR 40 1.441 -19.170 -0.690 294 HG21 THR 40 HG21 THR 40 1.356 -19.240 3.380 295 HG22 THR 40 HG22 THR 40 -0.074 -19.129 2.355 296 HG23 THR 40 HG23 THR 40 0.953 -17.714 2.586 297 H ASN 41 H ASN 41 4.419 -17.624 -0.584 298 HA ASN 41 HA ASN 41 5.153 -19.681 -2.315 299 HB2 ASN 41 HB2 ASN 41 5.042 -17.372 -3.030 300 HB3 ASN 41 HB3 ASN 41 6.242 -16.874 -1.847 301 HD21 ASN 41 HD21 ASN 41 8.396 -17.040 -2.371 302 HD22 ASN 41 HD22 ASN 41 8.976 -17.548 -3.913 303 H GLY 42 H GLY 42 6.567 -18.953 0.759 304 HA2 GLY 42 HA2 GLY 42 8.403 -19.827 1.860 305 HA3 GLY 42 HA3 GLY 42 8.759 -20.810 0.442 306 H GLY 43 H GLY 43 8.678 -17.376 1.326 307 HA2 GLY 43 HA2 GLY 43 11.304 -16.925 -0.005 308 HA3 GLY 43 HA3 GLY 43 9.921 -15.895 -0.352 309 H GLN 44 H GLN 44 11.214 -14.122 0.334 310 HA GLN 44 HA GLN 44 12.229 -13.810 2.990 311 HB2 GLN 44 HB2 GLN 44 13.138 -12.475 1.152 312 HB3 GLN 44 HB3 GLN 44 11.564 -11.762 0.830 313 HG2 GLN 44 HG2 GLN 44 12.998 -10.157 1.968 314 HG3 GLN 44 HG3 GLN 44 11.636 -10.590 3.002 315 HE21 GLN 44 HE21 GLN 44 12.640 -10.047 4.918 316 HE22 GLN 44 HE22 GLN 44 13.993 -10.900 5.561 317 H ARG 45 H ARG 45 10.938 -13.719 4.771 318 HA ARG 45 HA ARG 45 8.298 -12.864 5.003 319 HB2 ARG 45 HB2 ARG 45 9.529 -14.065 6.784 320 HB3 ARG 45 HB3 ARG 45 10.570 -12.681 7.045 321 HG2 ARG 45 HG2 ARG 45 7.588 -12.437 7.500 322 HG3 ARG 45 HG3 ARG 45 8.614 -13.197 8.715 323 HD2 ARG 45 HD2 ARG 45 8.896 -10.352 7.671 324 HD3 ARG 45 HD3 ARG 45 8.240 -10.828 9.238 325 HE ARG 45 HE ARG 45 10.501 -11.737 9.748 326 HH11 ARG 45 HH11 ARG 45 10.323 -9.316 7.284 327 HH12 ARG 45 HH12 ARG 45 11.882 -8.683 7.661 328 HH21 ARG 45 HH21 ARG 45 12.510 -10.923 10.149 329 HH22 ARG 45 HH22 ARG 45 13.105 -9.591 9.224 330 H VAL 46 H VAL 46 7.433 -10.944 4.526 331 HA VAL 46 HA VAL 46 9.092 -8.564 4.154 332 HB VAL 46 HB VAL 46 6.115 -8.939 3.573 333 HG11 VAL 46 HG11 VAL 46 8.061 -6.816 2.579 334 HG12 VAL 46 HG12 VAL 46 6.756 -6.571 3.743 335 HG13 VAL 46 HG13 VAL 46 6.376 -6.989 2.073 336 HG21 VAL 46 HG21 VAL 46 7.429 -10.571 2.283 337 HG22 VAL 46 HG22 VAL 46 8.475 -9.286 1.676 338 HG23 VAL 46 HG23 VAL 46 6.772 -9.329 1.217 339 H ASP 47 H ASP 47 9.360 -7.180 5.795 340 HA ASP 47 HA ASP 47 7.290 -6.919 7.911 341 HB2 ASP 47 HB2 ASP 47 9.046 -6.217 9.442 342 HB3 ASP 47 HB3 ASP 47 9.492 -7.762 8.729 343 H HIS 48 H HIS 48 6.909 -4.816 8.764 344 HA HIS 48 HA HIS 48 6.307 -2.627 8.629 345 HB2 HIS 48 HB2 HIS 48 9.001 -2.322 7.230 346 HB3 HIS 48 HB3 HIS 48 8.058 -0.999 7.907 347 HD1 HIS 48 HD1 HIS 48 10.962 -2.635 8.725 348 HD2 HIS 48 HD2 HIS 48 7.488 -1.984 10.892 349 HE1 HIS 48 HE1 HIS 48 11.633 -2.806 11.133 350 HE2 HIS 48 HE2 HIS 48 9.487 -2.575 12.413 351 H HIS 49 H HIS 49 5.486 -4.401 6.435 352 HA HIS 49 HA HIS 49 5.541 -3.033 3.920 353 HB2 HIS 49 HB2 HIS 49 5.299 -5.466 3.989 354 HB3 HIS 49 HB3 HIS 49 3.818 -5.337 4.928 355 HD2 HIS 49 HD2 HIS 49 1.523 -5.185 3.443 356 HE1 HIS 49 HE1 HIS 49 3.384 -4.605 -0.308 357 HE2 HIS 49 HE2 HIS 49 1.174 -4.777 0.910 358 H LYS 50 H LYS 50 4.018 -1.737 2.990 359 HA LYS 50 HA LYS 50 1.461 -1.192 4.181 360 HB2 LYS 50 HB2 LYS 50 1.823 1.150 4.814 361 HB3 LYS 50 HB3 LYS 50 2.899 0.095 5.723 362 HG2 LYS 50 HG2 LYS 50 4.769 0.720 4.223 363 HG3 LYS 50 HG3 LYS 50 3.680 1.782 3.325 364 HD2 LYS 50 HD2 LYS 50 3.306 3.090 5.438 365 HD3 LYS 50 HD3 LYS 50 4.515 2.077 6.235 366 HE2 LYS 50 HE2 LYS 50 6.219 2.864 4.623 367 HE3 LYS 50 HE3 LYS 50 5.004 3.871 3.832 368 HZ1 LYS 50 HZ1 LYS 50 6.347 5.148 5.355 369 HZ2 LYS 50 HZ2 LYS 50 5.913 4.141 6.641 370 HZ3 LYS 50 HZ3 LYS 50 4.744 5.099 5.888 371 H TRP 51 H TRP 51 0.515 0.477 1.167 372 HA TRP 51 HA TRP 51 -0.007 -0.073 4.036 373 HB2 TRP 51 HB2 TRP 51 -1.556 1.691 2.090 374 HB3 TRP 51 HB3 TRP 51 -1.985 1.420 3.779 375 HD1 TRP 51 HD1 TRP 51 0.583 3.266 1.600 376 HE1 TRP 51 HE1 TRP 51 1.823 4.978 3.044 377 HE3 TRP 51 HE3 TRP 51 -1.246 1.940 6.192 378 HZ2 TRP 51 HZ2 TRP 51 2.011 5.691 5.770 379 HZ3 TRP 51 HZ3 TRP 51 -0.481 3.187 8.172 380 HH2 TRP 51 HH2 TRP 51 1.123 5.026 7.961 381 H VAL 52 H VAL 52 -1.684 -1.319 4.669 382 HA VAL 52 HA VAL 52 -3.354 -2.731 2.652 383 HB VAL 52 HB VAL 52 -3.435 -4.715 4.122 384 HG11 VAL 52 HG11 VAL 52 -0.558 -3.902 3.529 385 HG12 VAL 52 HG12 VAL 52 -1.675 -4.685 2.408 386 HG13 VAL 52 HG13 VAL 52 -1.116 -5.549 3.840 387 HG21 VAL 52 HG21 VAL 52 -1.947 -4.948 6.107 388 HG22 VAL 52 HG22 VAL 52 -3.148 -3.678 6.328 389 HG23 VAL 52 HG23 VAL 52 -1.479 -3.251 5.948 390 H ILE 53 H ILE 53 -5.615 -2.781 3.136 391 HA ILE 53 HA ILE 53 -6.378 -0.868 5.300 392 HB ILE 53 HB ILE 53 -8.147 0.022 3.850 393 HG12 ILE 53 HG12 ILE 53 -7.071 -1.861 1.683 394 HG13 ILE 53 HG13 ILE 53 -8.620 -2.030 2.503 395 HG21 ILE 53 HG21 ILE 53 -5.437 0.059 2.456 396 HG22 ILE 53 HG22 ILE 53 -5.940 1.119 3.775 397 HG23 ILE 53 HG23 ILE 53 -6.740 1.226 2.209 398 HD11 ILE 53 HD11 ILE 53 -7.787 0.173 0.626 399 HD12 ILE 53 HD12 ILE 53 -9.319 0.140 1.512 400 HD13 ILE 53 HD13 ILE 53 -8.956 -1.111 0.323 401 H GLN 54 H GLN 54 -8.711 -0.928 5.913 402 HA GLN 54 HA GLN 54 -9.623 -3.282 6.988 403 HB2 GLN 54 HB2 GLN 54 -11.145 -0.792 6.144 404 HB3 GLN 54 HB3 GLN 54 -11.942 -2.111 6.993 405 HG2 GLN 54 HG2 GLN 54 -9.550 -0.596 8.077 406 HG3 GLN 54 HG3 GLN 54 -11.229 -0.212 8.456 407 HE21 GLN 54 HE21 GLN 54 -12.421 -1.653 9.769 408 HE22 GLN 54 HE22 GLN 54 -11.637 -2.831 10.755 409 H GLU 55 H GLU 55 -10.457 -2.082 3.681 410 HA GLU 55 HA GLU 55 -12.412 -4.083 3.116 411 HB2 GLU 55 HB2 GLU 55 -12.367 -1.854 2.048 412 HB3 GLU 55 HB3 GLU 55 -10.806 -2.209 1.328 413 HG2 GLU 55 HG2 GLU 55 -12.556 -2.363 -0.342 414 HG3 GLU 55 HG3 GLU 55 -11.831 -3.948 -0.078 415 H GLU 56 H GLU 56 -8.948 -4.091 3.085 416 HA GLU 56 HA GLU 56 -8.683 -6.279 1.141 417 HB2 GLU 56 HB2 GLU 56 -7.110 -4.389 0.974 418 HB3 GLU 56 HB3 GLU 56 -6.577 -4.645 2.632 419 HG2 GLU 56 HG2 GLU 56 -5.476 -6.691 2.067 420 HG3 GLU 56 HG3 GLU 56 -6.254 -6.762 0.490 421 H ILE 57 H ILE 57 -8.775 -5.759 4.574 422 HA ILE 57 HA ILE 57 -7.557 -8.379 5.231 423 HB ILE 57 HB ILE 57 -8.238 -5.977 7.003 424 HG12 ILE 57 HG12 ILE 57 -5.492 -7.052 6.159 425 HG13 ILE 57 HG13 ILE 57 -6.267 -5.629 5.469 426 HG21 ILE 57 HG21 ILE 57 -6.880 -8.591 7.784 427 HG22 ILE 57 HG22 ILE 57 -8.478 -8.045 8.298 428 HG23 ILE 57 HG23 ILE 57 -7.042 -7.171 8.824 429 HD11 ILE 57 HD11 ILE 57 -4.551 -5.028 7.073 430 HD12 ILE 57 HD12 ILE 57 -5.376 -5.934 8.340 431 HD13 ILE 57 HD13 ILE 57 -6.136 -4.503 7.638 432 H LYS 58 H LYS 58 -8.854 -10.038 5.887 433 HA LYS 58 HA LYS 58 -11.721 -9.864 5.877 434 HB2 LYS 58 HB2 LYS 58 -10.551 -11.889 5.130 435 HB3 LYS 58 HB3 LYS 58 -9.841 -12.105 6.726 436 HG2 LYS 58 HG2 LYS 58 -12.101 -12.527 7.664 437 HG3 LYS 58 HG3 LYS 58 -12.802 -12.319 6.056 438 HD2 LYS 58 HD2 LYS 58 -12.546 -14.713 6.617 439 HD3 LYS 58 HD3 LYS 58 -11.550 -14.271 5.228 440 HE2 LYS 58 HE2 LYS 58 -9.553 -14.174 6.671 441 HE3 LYS 58 HE3 LYS 58 -10.537 -14.563 8.085 442 HZ1 LYS 58 HZ1 LYS 58 -10.170 -16.318 5.721 443 HZ2 LYS 58 HZ2 LYS 58 -11.034 -16.701 7.124 444 HZ3 LYS 58 HZ3 LYS 58 -9.359 -16.486 7.193 445 H ASP 59 H ASP 59 -9.409 -10.730 8.427 446 HA ASP 59 HA ASP 59 -11.252 -10.890 10.565 447 HB2 ASP 59 HB2 ASP 59 -8.223 -10.619 10.602 448 HB3 ASP 59 HB3 ASP 59 -9.206 -11.085 11.990 449 H ALA 60 H ALA 60 -10.099 -8.075 9.101 450 HA ALA 60 HA ALA 60 -9.748 -6.079 10.806 451 HB1 ALA 60 HB1 ALA 60 -11.770 -6.052 8.548 452 HB2 ALA 60 HB2 ALA 60 -10.029 -5.823 8.381 453 HB3 ALA 60 HB3 ALA 60 -10.995 -4.633 9.255 454 H GLY 61 H GLY 61 -13.121 -7.134 10.061 455 HA2 GLY 61 HA2 GLY 61 -15.019 -7.218 11.347 456 HA3 GLY 61 HA3 GLY 61 -13.978 -7.167 12.753 457 H ASP 62 H ASP 62 -14.021 -4.584 10.390 458 HA ASP 62 HA ASP 62 -14.569 -2.401 10.408 459 HB2 ASP 62 HB2 ASP 62 -16.815 -3.296 12.258 460 HB3 ASP 62 HB3 ASP 62 -16.732 -1.712 11.493 461 H LYS 63 H LYS 63 -12.811 -3.540 12.693 462 HA LYS 63 HA LYS 63 -13.043 -1.304 14.650 463 HB2 LYS 63 HB2 LYS 63 -11.977 -2.658 16.275 464 HB3 LYS 63 HB3 LYS 63 -13.056 -3.773 15.442 465 HG2 LYS 63 HG2 LYS 63 -11.061 -4.523 14.067 466 HG3 LYS 63 HG3 LYS 63 -10.043 -3.531 15.106 467 HD2 LYS 63 HD2 LYS 63 -9.903 -5.788 15.919 468 HD3 LYS 63 HD3 LYS 63 -10.873 -4.880 17.081 469 HE2 LYS 63 HE2 LYS 63 -12.938 -5.822 16.068 470 HE3 LYS 63 HE3 LYS 63 -11.953 -6.740 14.926 471 HZ1 LYS 63 HZ1 LYS 63 -10.940 -7.879 16.830 472 HZ2 LYS 63 HZ2 LYS 63 -12.609 -8.128 16.753 473 HZ3 LYS 63 HZ3 LYS 63 -11.970 -7.042 17.880 474 H THR 64 H THR 64 -10.930 -0.420 15.498 475 HA THR 64 HA THR 64 -8.933 0.005 13.407 476 HB THR 64 HB THR 64 -8.872 0.957 16.319 477 HG1 THR 64 HG1 THR 64 -9.875 2.743 15.637 478 HG21 THR 64 HG21 THR 64 -6.616 0.930 15.289 479 HG22 THR 64 HG22 THR 64 -7.177 2.586 15.515 480 HG23 THR 64 HG23 THR 64 -7.224 1.854 13.911 481 H LEU 65 H LEU 65 -7.517 -1.619 13.060 482 HA LEU 65 HA LEU 65 -6.898 -3.665 15.020 483 HB2 LEU 65 HB2 LEU 65 -5.864 -3.160 12.211 484 HB3 LEU 65 HB3 LEU 65 -5.405 -4.547 13.179 485 HG LEU 65 HG LEU 65 -8.268 -3.955 12.309 486 HD11 LEU 65 HD11 LEU 65 -6.904 -4.402 10.336 487 HD12 LEU 65 HD12 LEU 65 -7.980 -5.761 10.649 488 HD13 LEU 65 HD13 LEU 65 -6.270 -5.878 11.071 489 HD21 LEU 65 HD21 LEU 65 -8.733 -6.274 12.993 490 HD22 LEU 65 HD22 LEU 65 -8.136 -5.330 14.353 491 HD23 LEU 65 HD23 LEU 65 -7.063 -6.469 13.535 492 H GLN 66 H GLN 66 -4.897 -3.951 16.049 493 HA GLN 66 HA GLN 66 -3.201 -1.509 16.230 494 HB2 GLN 66 HB2 GLN 66 -4.267 -3.308 18.450 495 HB3 GLN 66 HB3 GLN 66 -3.034 -2.079 18.715 496 HG2 GLN 66 HG2 GLN 66 -5.849 -1.533 17.707 497 HG3 GLN 66 HG3 GLN 66 -5.309 -1.339 19.378 498 HE21 GLN 66 HE21 GLN 66 -5.110 -0.036 16.132 499 HE22 GLN 66 HE22 GLN 66 -4.416 1.480 16.579 500 HA PRO 67 HA PRO 67 0.683 -3.895 15.932 501 HB2 PRO 67 HB2 PRO 67 1.178 -2.822 18.726 502 HB3 PRO 67 HB3 PRO 67 2.305 -2.955 17.362 503 HG2 PRO 67 HG2 PRO 67 1.172 -0.608 17.904 504 HG3 PRO 67 HG3 PRO 67 1.328 -1.142 16.214 505 HD2 PRO 67 HD2 PRO 67 -1.114 -1.057 17.962 506 HD3 PRO 67 HD3 PRO 67 -0.971 -0.815 16.209 507 H GLY 68 H GLY 68 0.240 -6.026 15.989 508 HA2 GLY 68 HA2 GLY 68 0.766 -8.090 17.213 509 HA3 GLY 68 HA3 GLY 68 -0.108 -7.441 18.586 510 H ASP 69 H ASP 69 -2.184 -6.533 16.313 511 HA ASP 69 HA ASP 69 -3.971 -8.750 16.575 512 HB2 ASP 69 HB2 ASP 69 -4.063 -6.198 14.930 513 HB3 ASP 69 HB3 ASP 69 -5.288 -7.445 14.702 514 H GLN 70 H GLN 70 -3.294 -10.635 15.729 515 HA GLN 70 HA GLN 70 -2.077 -10.873 13.116 516 HB2 GLN 70 HB2 GLN 70 -1.550 -12.321 15.156 517 HB3 GLN 70 HB3 GLN 70 -3.079 -13.147 14.869 518 HG2 GLN 70 HG2 GLN 70 -2.323 -13.963 12.738 519 HG3 GLN 70 HG3 GLN 70 -0.877 -12.956 12.798 520 HE21 GLN 70 HE21 GLN 70 0.793 -13.521 14.278 521 HE22 GLN 70 HE22 GLN 70 0.939 -15.138 14.867 522 H VAL 71 H VAL 71 -3.088 -11.197 11.234 523 HA VAL 71 HA VAL 71 -5.988 -11.780 11.061 524 HB VAL 71 HB VAL 71 -6.242 -9.916 9.409 525 HG11 VAL 71 HG11 VAL 71 -5.198 -8.973 12.111 526 HG12 VAL 71 HG12 VAL 71 -6.852 -9.474 11.754 527 HG13 VAL 71 HG13 VAL 71 -6.194 -8.019 11.007 528 HG21 VAL 71 HG21 VAL 71 -3.907 -9.755 8.603 529 HG22 VAL 71 HG22 VAL 71 -3.389 -9.145 10.174 530 HG23 VAL 71 HG23 VAL 71 -4.471 -8.180 9.168 531 H ILE 72 H ILE 72 -6.670 -12.114 8.681 532 HA ILE 72 HA ILE 72 -4.541 -13.380 7.019 533 HB ILE 72 HB ILE 72 -7.546 -13.944 6.947 534 HG12 ILE 72 HG12 ILE 72 -6.504 -14.834 9.027 535 HG13 ILE 72 HG13 ILE 72 -7.057 -16.130 7.975 536 HG21 ILE 72 HG21 ILE 72 -6.538 -14.293 4.739 537 HG22 ILE 72 HG22 ILE 72 -6.983 -15.843 5.449 538 HG23 ILE 72 HG23 ILE 72 -5.294 -15.333 5.437 539 HD11 ILE 72 HD11 ILE 72 -4.927 -16.667 8.992 540 HD12 ILE 72 HD12 ILE 72 -4.197 -15.213 8.315 541 HD13 ILE 72 HD13 ILE 72 -4.740 -16.511 7.246 542 H LEU 73 H LEU 73 -4.294 -12.735 4.894 543 HA LEU 73 HA LEU 73 -5.603 -10.249 4.028 544 HB2 LEU 73 HB2 LEU 73 -3.262 -11.776 2.826 545 HB3 LEU 73 HB3 LEU 73 -3.836 -10.203 2.287 546 HG LEU 73 HG LEU 73 -2.612 -10.792 5.018 547 HD11 LEU 73 HD11 LEU 73 -1.451 -9.302 2.641 548 HD12 LEU 73 HD12 LEU 73 -0.949 -10.894 3.218 549 HD13 LEU 73 HD13 LEU 73 -0.691 -9.474 4.229 550 HD21 LEU 73 HD21 LEU 73 -2.640 -8.342 5.358 551 HD22 LEU 73 HD22 LEU 73 -4.270 -8.984 5.186 552 HD23 LEU 73 HD23 LEU 73 -3.514 -8.133 3.837 553 H GLU 74 H GLU 74 -7.268 -10.267 2.676 554 HA GLU 74 HA GLU 74 -8.132 -12.577 1.171 555 HB2 GLU 74 HB2 GLU 74 -9.203 -9.731 1.290 556 HB3 GLU 74 HB3 GLU 74 -9.988 -11.043 0.410 557 HG2 GLU 74 HG2 GLU 74 -9.503 -10.951 3.407 558 HG3 GLU 74 HG3 GLU 74 -11.038 -10.632 2.599 559 H ALA 75 H ALA 75 -6.812 -9.377 0.291 560 HA ALA 75 HA ALA 75 -6.858 -9.943 -2.569 561 HB1 ALA 75 HB1 ALA 75 -5.955 -7.679 -2.825 562 HB2 ALA 75 HB2 ALA 75 -5.671 -7.571 -1.085 563 HB3 ALA 75 HB3 ALA 75 -7.322 -7.660 -1.706 564 H SER 76 H SER 76 -4.750 -9.345 -3.810 565 HA SER 76 HA SER 76 -2.291 -10.147 -2.438 566 HB2 SER 76 HB2 SER 76 -1.671 -11.748 -4.235 567 HB3 SER 76 HB3 SER 76 -3.120 -12.259 -3.380 568 HG SER 76 HG SER 76 -2.800 -11.429 -6.006 569 H HIS 77 H HIS 77 -0.784 -8.647 -2.888 570 HA HIS 77 HA HIS 77 -0.786 -7.086 -5.340 571 HB2 HIS 77 HB2 HIS 77 1.092 -7.095 -2.928 572 HB3 HIS 77 HB3 HIS 77 1.154 -5.930 -4.246 573 HD2 HIS 77 HD2 HIS 77 -1.709 -7.005 -1.662 574 HE1 HIS 77 HE1 HIS 77 -1.673 -2.807 -2.168 575 HE2 HIS 77 HE2 HIS 77 -2.647 -4.733 -0.851 576 H MET 78 H MET 78 0.731 -9.934 -4.087 577 HA MET 78 HA MET 78 2.265 -10.422 -6.497 578 HB2 MET 78 HB2 MET 78 4.454 -10.685 -5.308 579 HB3 MET 78 HB3 MET 78 3.875 -9.027 -5.276 580 HG2 MET 78 HG2 MET 78 3.086 -9.350 -2.958 581 HG3 MET 78 HG3 MET 78 3.705 -11.006 -2.990 582 HE1 MET 78 HE1 MET 78 4.520 -8.795 -0.758 583 HE2 MET 78 HE2 MET 78 6.249 -9.115 -0.630 584 HE3 MET 78 HE3 MET 78 5.113 -10.459 -0.751 585 H LYS 79 H LYS 79 3.729 -12.553 -5.938 586 HA LYS 79 HA LYS 79 1.903 -14.669 -5.465 587 HB2 LYS 79 HB2 LYS 79 3.944 -16.157 -5.617 588 HB3 LYS 79 HB3 LYS 79 3.733 -15.055 -6.974 589 HG2 LYS 79 HG2 LYS 79 5.483 -13.580 -6.105 590 HG3 LYS 79 HG3 LYS 79 5.640 -14.569 -4.654 591 HD2 LYS 79 HD2 LYS 79 7.467 -15.043 -6.236 592 HD3 LYS 79 HD3 LYS 79 6.453 -16.463 -5.998 593 HE2 LYS 79 HE2 LYS 79 5.302 -15.975 -8.152 594 HE3 LYS 79 HE3 LYS 79 6.368 -14.588 -8.388 595 HZ1 LYS 79 HZ1 LYS 79 7.216 -17.429 -8.194 596 HZ2 LYS 79 HZ2 LYS 79 8.253 -16.110 -8.399 597 HZ3 LYS 79 HZ3 LYS 79 7.143 -16.504 -9.610 598 H GLY 80 H GLY 80 1.370 -15.799 -3.684 599 HA2 GLY 80 HA2 GLY 80 1.469 -16.768 -1.592 600 HA3 GLY 80 HA3 GLY 80 3.054 -16.064 -1.342 601 H MET 81 H MET 81 0.691 -13.753 -2.255 602 HA MET 81 HA MET 81 0.738 -12.511 0.389 603 HB2 MET 81 HB2 MET 81 1.083 -11.215 -1.735 604 HB3 MET 81 HB3 MET 81 -0.571 -11.577 -2.203 605 HG2 MET 81 HG2 MET 81 -0.618 -9.372 -1.379 606 HG3 MET 81 HG3 MET 81 -1.281 -10.350 -0.068 607 HE1 MET 81 HE1 MET 81 0.057 -7.248 0.007 608 HE2 MET 81 HE2 MET 81 0.773 -7.351 1.617 609 HE3 MET 81 HE3 MET 81 -0.843 -7.995 1.330 610 H LYS 82 H LYS 82 -1.823 -13.506 -1.929 611 HA LYS 82 HA LYS 82 -4.034 -13.293 -0.158 612 HB2 LYS 82 HB2 LYS 82 -4.351 -13.312 -2.591 613 HB3 LYS 82 HB3 LYS 82 -3.707 -14.948 -2.699 614 HG2 LYS 82 HG2 LYS 82 -5.650 -15.762 -1.340 615 HG3 LYS 82 HG3 LYS 82 -6.305 -14.123 -1.345 616 HD2 LYS 82 HD2 LYS 82 -6.522 -14.202 -3.802 617 HD3 LYS 82 HD3 LYS 82 -5.812 -15.822 -3.827 618 HE2 LYS 82 HE2 LYS 82 -7.726 -16.694 -2.542 619 HE3 LYS 82 HE3 LYS 82 -8.425 -15.076 -2.450 620 HZ1 LYS 82 HZ1 LYS 82 -8.652 -15.075 -4.846 621 HZ2 LYS 82 HZ2 LYS 82 -9.449 -16.406 -4.184 622 HZ3 LYS 82 HZ3 LYS 82 -7.961 -16.611 -4.946 623 H GLY 83 H GLY 83 -4.731 -14.635 1.451 624 HA2 GLY 83 HA2 GLY 83 -5.289 -16.663 2.482 625 HA3 GLY 83 HA3 GLY 83 -4.259 -17.533 1.357 626 H ALA 84 H ALA 84 -2.278 -15.154 2.268 627 HA ALA 84 HA ALA 84 -0.831 -16.745 4.200 628 HB1 ALA 84 HB1 ALA 84 0.390 -15.520 2.460 629 HB2 ALA 84 HB2 ALA 84 0.877 -14.969 4.063 630 HB3 ALA 84 HB3 ALA 84 -0.216 -13.984 3.084 631 H THR 85 H THR 85 -0.208 -16.036 6.265 632 HA THR 85 HA THR 85 -2.247 -14.518 7.719 633 HB THR 85 HB THR 85 0.136 -16.081 8.831 634 HG1 THR 85 HG1 THR 85 -1.118 -17.652 8.031 635 HG21 THR 85 HG21 THR 85 -0.761 -14.393 10.421 636 HG22 THR 85 HG22 THR 85 -1.107 -16.031 10.968 637 HG23 THR 85 HG23 THR 85 -2.383 -15.065 10.225 638 H ALA 86 H ALA 86 -1.940 -12.439 8.138 639 HA ALA 86 HA ALA 86 0.759 -11.228 8.197 640 HB1 ALA 86 HB1 ALA 86 -0.389 -9.066 7.812 641 HB2 ALA 86 HB2 ALA 86 -1.948 -9.897 7.778 642 HB3 ALA 86 HB3 ALA 86 -0.750 -10.223 6.525 643 H GLU 87 H GLU 87 1.152 -9.666 9.930 644 HA GLU 87 HA GLU 87 -0.868 -9.547 12.089 645 HB2 GLU 87 HB2 GLU 87 0.983 -11.145 12.712 646 HB3 GLU 87 HB3 GLU 87 2.132 -9.816 12.574 647 HG2 GLU 87 HG2 GLU 87 0.978 -8.619 14.396 648 HG3 GLU 87 HG3 GLU 87 -0.203 -9.922 14.521 649 H ILE 88 H ILE 88 -1.343 -7.517 12.635 650 HA ILE 88 HA ILE 88 -0.404 -5.301 11.181 651 HB ILE 88 HB ILE 88 -1.895 -5.274 13.847 652 HG12 ILE 88 HG12 ILE 88 -3.057 -6.616 12.065 653 HG13 ILE 88 HG13 ILE 88 -3.975 -5.216 12.590 654 HG21 ILE 88 HG21 ILE 88 -2.727 -3.030 13.154 655 HG22 ILE 88 HG22 ILE 88 -1.677 -3.089 11.735 656 HG23 ILE 88 HG23 ILE 88 -0.973 -3.060 13.352 657 HD11 ILE 88 HD11 ILE 88 -2.383 -5.420 10.038 658 HD12 ILE 88 HD12 ILE 88 -3.322 -4.021 10.556 659 HD13 ILE 88 HD13 ILE 88 -4.132 -5.542 10.193 660 H ASP 89 H ASP 89 1.588 -4.533 11.321 661 HA ASP 89 HA ASP 89 3.284 -4.641 13.654 662 HB2 ASP 89 HB2 ASP 89 4.165 -4.941 11.354 663 HB3 ASP 89 HB3 ASP 89 3.641 -3.319 10.922 664 H SER 90 H SER 90 1.329 -2.248 11.988 665 HA SER 90 HA SER 90 1.266 -0.403 14.197 666 HB2 SER 90 HB2 SER 90 3.408 0.314 13.200 667 HB3 SER 90 HB3 SER 90 2.651 0.479 11.618 668 HG SER 90 HG SER 90 2.253 2.450 12.215 669 H ALA 91 H ALA 91 -0.137 1.527 13.634 670 HA ALA 91 HA ALA 91 -2.212 0.884 11.612 671 HB1 ALA 91 HB1 ALA 91 -3.983 1.275 13.263 672 HB2 ALA 91 HB2 ALA 91 -2.779 1.565 14.525 673 HB3 ALA 91 HB3 ALA 91 -2.926 -0.034 13.796 674 H GLU 92 H GLU 92 -3.354 2.664 10.774 675 HA GLU 92 HA GLU 92 -3.010 5.334 11.894 676 HB2 GLU 92 HB2 GLU 92 -0.970 4.948 10.448 677 HB3 GLU 92 HB3 GLU 92 -2.024 4.739 9.063 678 HG2 GLU 92 HG2 GLU 92 -1.016 6.971 9.113 679 HG3 GLU 92 HG3 GLU 92 -2.772 7.051 9.219 680 H LYS 93 H LYS 93 -4.641 6.775 11.297 681 HA LYS 93 HA LYS 93 -6.560 5.978 9.185 682 HB2 LYS 93 HB2 LYS 93 -6.697 8.181 11.298 683 HB3 LYS 93 HB3 LYS 93 -7.840 8.062 9.970 684 HG2 LYS 93 HG2 LYS 93 -8.896 7.131 11.891 685 HG3 LYS 93 HG3 LYS 93 -8.508 5.793 10.810 686 HD2 LYS 93 HD2 LYS 93 -6.578 5.189 12.209 687 HD3 LYS 93 HD3 LYS 93 -6.872 6.586 13.252 688 HE2 LYS 93 HE2 LYS 93 -8.736 4.214 12.877 689 HE3 LYS 93 HE3 LYS 93 -7.727 4.532 14.290 690 HZ1 LYS 93 HZ1 LYS 93 -9.964 5.229 14.724 691 HZ2 LYS 93 HZ2 LYS 93 -10.002 6.193 13.334 692 HZ3 LYS 93 HZ3 LYS 93 -8.984 6.607 14.624 693 H THR 94 H THR 94 -5.495 6.417 7.281 694 HA THR 94 HA THR 94 -4.629 9.188 6.733 695 HB THR 94 HB THR 94 -2.547 8.017 7.290 696 HG1 THR 94 HG1 THR 94 -2.064 9.400 5.716 697 HG21 THR 94 HG21 THR 94 -3.246 6.026 5.097 698 HG22 THR 94 HG22 THR 94 -3.215 5.685 6.828 699 HG23 THR 94 HG23 THR 94 -1.720 6.091 5.987 700 H THR 95 H THR 95 -4.567 9.700 4.438 701 HA THR 95 HA THR 95 -6.705 8.328 2.977 702 HB THR 95 HB THR 95 -5.142 10.807 2.092 703 HG1 THR 95 HG1 THR 95 -7.698 11.196 3.012 704 HG21 THR 95 HG21 THR 95 -7.138 11.227 0.672 705 HG22 THR 95 HG22 THR 95 -7.864 9.720 1.234 706 HG23 THR 95 HG23 THR 95 -6.390 9.677 0.264 707 H VAL 96 H VAL 96 -6.284 6.833 1.423 708 HA VAL 96 HA VAL 96 -3.505 6.487 0.468 709 HB VAL 96 HB VAL 96 -4.112 4.049 0.055 710 HG11 VAL 96 HG11 VAL 96 -4.177 4.972 2.955 711 HG12 VAL 96 HG12 VAL 96 -2.732 4.697 1.978 712 HG13 VAL 96 HG13 VAL 96 -3.777 3.341 2.403 713 HG21 VAL 96 HG21 VAL 96 -6.574 4.208 0.100 714 HG22 VAL 96 HG22 VAL 96 -6.536 4.675 1.800 715 HG23 VAL 96 HG23 VAL 96 -6.014 3.059 1.318 716 H TYR 97 H TYR 97 -3.209 6.445 -1.710 717 HA TYR 97 HA TYR 97 -5.517 7.169 -3.384 718 HB2 TYR 97 HB2 TYR 97 -2.587 7.982 -3.573 719 HB3 TYR 97 HB3 TYR 97 -3.789 8.371 -4.803 720 HD1 TYR 97 HD1 TYR 97 -2.616 9.124 -1.392 721 HD2 TYR 97 HD2 TYR 97 -5.568 10.038 -4.345 722 HE1 TYR 97 HE1 TYR 97 -3.294 11.106 -0.117 723 HE2 TYR 97 HE2 TYR 97 -6.230 12.031 -3.067 724 HH TYR 97 HH TYR 97 -4.387 13.230 -0.427 725 H MET 98 H MET 98 -5.278 6.819 -5.625 726 HA MET 98 HA MET 98 -3.935 4.311 -6.444 727 HB2 MET 98 HB2 MET 98 -6.401 4.088 -6.225 728 HB3 MET 98 HB3 MET 98 -6.640 5.505 -7.236 729 HG2 MET 98 HG2 MET 98 -5.781 4.324 -9.160 730 HG3 MET 98 HG3 MET 98 -5.369 2.931 -8.164 731 HE1 MET 98 HE1 MET 98 -9.768 4.218 -8.868 732 HE2 MET 98 HE2 MET 98 -8.395 5.175 -9.429 733 HE3 MET 98 HE3 MET 98 -8.724 5.028 -7.700 734 H VAL 99 H VAL 99 -2.259 4.894 -7.812 735 HA VAL 99 HA VAL 99 -2.525 7.346 -9.484 736 HB VAL 99 HB VAL 99 -0.146 7.947 -8.975 737 HG11 VAL 99 HG11 VAL 99 -1.918 7.802 -6.500 738 HG12 VAL 99 HG12 VAL 99 -1.943 9.072 -7.726 739 HG13 VAL 99 HG13 VAL 99 -0.520 8.863 -6.705 740 HG21 VAL 99 HG21 VAL 99 0.732 5.734 -8.321 741 HG22 VAL 99 HG22 VAL 99 -0.273 5.739 -6.870 742 HG23 VAL 99 HG23 VAL 99 1.033 6.914 -7.042 743 H ASP 100 H ASP 100 -1.474 7.389 -11.456 744 HA ASP 100 HA ASP 100 -0.163 4.910 -12.406 745 HB2 ASP 100 HB2 ASP 100 -0.657 5.678 -14.695 746 HB3 ASP 100 HB3 ASP 100 -2.129 5.593 -13.737 747 H TYR 101 H TYR 101 1.940 4.978 -13.157 748 HA TYR 101 HA TYR 101 3.370 7.430 -13.701 749 HB2 TYR 101 HB2 TYR 101 5.116 7.139 -11.973 750 HB3 TYR 101 HB3 TYR 101 3.541 7.395 -11.239 751 HD1 TYR 101 HD1 TYR 101 2.350 5.471 -10.131 752 HD2 TYR 101 HD2 TYR 101 6.361 5.070 -11.566 753 HE1 TYR 101 HE1 TYR 101 2.663 3.492 -8.725 754 HE2 TYR 101 HE2 TYR 101 6.663 3.075 -10.155 755 HH TYR 101 HH TYR 101 4.023 1.527 -8.564 756 H THR 102 H THR 102 5.824 6.835 -13.997 757 HA THR 102 HA THR 102 6.096 4.183 -15.306 758 HB THR 102 HB THR 102 7.505 6.789 -16.075 759 HG1 THR 102 HG1 THR 102 5.107 5.832 -16.773 760 HG21 THR 102 HG21 THR 102 8.378 5.511 -18.011 761 HG22 THR 102 HG22 THR 102 7.640 4.038 -17.380 762 HG23 THR 102 HG23 THR 102 8.948 4.818 -16.490 763 H SER 103 H SER 103 7.266 2.911 -13.995 764 HA SER 103 HA SER 103 9.015 3.604 -11.945 765 HB2 SER 103 HB2 SER 103 8.996 1.070 -13.646 766 HB3 SER 103 HB3 SER 103 9.873 1.249 -12.124 767 HG SER 103 HG SER 103 7.536 0.350 -12.260 768 H THR 104 H THR 104 10.784 4.827 -12.144 769 HA THR 104 HA THR 104 12.196 5.522 -14.426 770 HB THR 104 HB THR 104 13.934 6.462 -12.898 771 HG1 THR 104 HG1 THR 104 13.109 6.072 -10.512 772 HG21 THR 104 HG21 THR 104 11.090 6.895 -11.882 773 HG22 THR 104 HG22 THR 104 11.847 7.758 -13.224 774 HG23 THR 104 HG23 THR 104 12.462 7.965 -11.584 775 H THR 105 H THR 105 12.815 2.795 -12.257 776 HA THR 105 HA THR 105 15.409 2.076 -13.123 777 HB THR 105 HB THR 105 13.194 0.358 -11.922 778 HG1 THR 105 HG1 THR 105 15.168 2.018 -10.881 779 HG21 THR 105 HG21 THR 105 14.962 -1.293 -11.333 780 HG22 THR 105 HG22 THR 105 16.134 -0.371 -12.277 781 HG23 THR 105 HG23 THR 105 14.767 -1.148 -13.078 782 H SER 106 H SER 106 12.239 0.665 -14.123 783 HA SER 106 HA SER 106 13.638 -0.966 -16.168 784 HB2 SER 106 HB2 SER 106 10.877 -1.352 -14.925 785 HB3 SER 106 HB3 SER 106 11.676 -2.470 -16.035 786 HG SER 106 HG SER 106 12.105 -3.216 -14.008 787 H GLY 107 H GLY 107 11.675 1.788 -16.034 788 HA2 GLY 107 HA2 GLY 107 10.557 3.012 -17.638 789 HA3 GLY 107 HA3 GLY 107 11.073 1.843 -18.840 790 H GLU 108 H GLU 108 9.443 0.341 -16.240 791 HA GLU 108 HA GLU 108 7.187 -0.423 -17.763 792 HB2 GLU 108 HB2 GLU 108 8.133 -1.887 -16.058 793 HB3 GLU 108 HB3 GLU 108 7.835 -0.697 -14.800 794 HG2 GLU 108 HG2 GLU 108 6.214 -2.489 -14.636 795 HG3 GLU 108 HG3 GLU 108 5.402 -0.992 -15.080 796 H LYS 109 H LYS 109 5.316 0.673 -18.099 797 HA LYS 109 HA LYS 109 4.471 2.953 -16.540 798 HB2 LYS 109 HB2 LYS 109 2.972 1.347 -18.666 799 HB3 LYS 109 HB3 LYS 109 2.393 2.846 -17.945 800 HG2 LYS 109 HG2 LYS 109 4.391 4.025 -18.886 801 HG3 LYS 109 HG3 LYS 109 4.861 2.523 -19.693 802 HD2 LYS 109 HD2 LYS 109 2.727 2.547 -20.966 803 HD3 LYS 109 HD3 LYS 109 2.247 4.032 -20.142 804 HE2 LYS 109 HE2 LYS 109 3.056 4.604 -22.341 805 HE3 LYS 109 HE3 LYS 109 4.238 5.169 -21.162 806 HZ1 LYS 109 HZ1 LYS 109 5.243 4.096 -23.103 807 HZ2 LYS 109 HZ2 LYS 109 4.463 2.648 -22.711 808 HZ3 LYS 109 HZ3 LYS 109 5.623 3.291 -21.667 809 H VAL 110 H VAL 110 4.066 2.384 -14.415 810 HA VAL 110 HA VAL 110 2.302 0.104 -13.766 811 HB VAL 110 HB VAL 110 3.824 1.947 -11.861 812 HG11 VAL 110 HG11 VAL 110 3.337 0.237 -10.129 813 HG12 VAL 110 HG12 VAL 110 2.356 -0.660 -11.292 814 HG13 VAL 110 HG13 VAL 110 1.861 0.954 -10.775 815 HG21 VAL 110 HG21 VAL 110 4.543 -0.867 -12.777 816 HG22 VAL 110 HG22 VAL 110 5.406 0.074 -11.556 817 HG23 VAL 110 HG23 VAL 110 5.381 0.619 -13.232 818 H LYS 111 H LYS 111 0.158 0.561 -13.810 819 HA LYS 111 HA LYS 111 -0.752 3.327 -13.240 820 HB2 LYS 111 HB2 LYS 111 -2.054 1.218 -15.009 821 HB3 LYS 111 HB3 LYS 111 -2.783 2.773 -14.605 822 HG2 LYS 111 HG2 LYS 111 -0.758 3.885 -15.671 823 HG3 LYS 111 HG3 LYS 111 -0.278 2.286 -16.255 824 HD2 LYS 111 HD2 LYS 111 -2.414 2.101 -17.499 825 HD3 LYS 111 HD3 LYS 111 -2.911 3.684 -16.893 826 HE2 LYS 111 HE2 LYS 111 -0.924 4.682 -18.064 827 HE3 LYS 111 HE3 LYS 111 -0.593 3.096 -18.767 828 HZ1 LYS 111 HZ1 LYS 111 -1.812 4.398 -20.326 829 HZ2 LYS 111 HZ2 LYS 111 -3.007 4.779 -19.191 830 HZ3 LYS 111 HZ3 LYS 111 -2.850 3.193 -19.755 831 H ASN 112 H ASN 112 -2.477 3.673 -11.915 832 HA ASN 112 HA ASN 112 -3.723 3.452 -10.037 833 HB2 ASN 112 HB2 ASN 112 -4.515 0.902 -11.503 834 HB3 ASN 112 HB3 ASN 112 -5.358 1.482 -10.067 835 HD21 ASN 112 HD21 ASN 112 -7.300 1.846 -11.109 836 HD22 ASN 112 HD22 ASN 112 -7.524 3.096 -12.279 837 H HIS 113 H HIS 113 -1.079 2.709 -9.600 838 HA HIS 113 HA HIS 113 -0.661 0.319 -8.177 839 HB2 HIS 113 HB2 HIS 113 1.162 1.816 -9.033 840 HB3 HIS 113 HB3 HIS 113 0.791 2.967 -7.756 841 HD2 HIS 113 HD2 HIS 113 1.625 2.184 -5.154 842 HE1 HIS 113 HE1 HIS 113 3.849 -1.145 -6.505 843 HE2 HIS 113 HE2 HIS 113 3.176 0.218 -4.491 844 H LYS 114 H LYS 114 -1.024 -0.300 -6.132 845 HA LYS 114 HA LYS 114 -2.151 1.546 -4.123 846 HB2 LYS 114 HB2 LYS 114 -3.339 -1.110 -5.060 847 HB3 LYS 114 HB3 LYS 114 -3.857 -0.282 -3.595 848 HG2 LYS 114 HG2 LYS 114 -4.659 1.624 -4.905 849 HG3 LYS 114 HG3 LYS 114 -4.055 0.889 -6.394 850 HD2 LYS 114 HD2 LYS 114 -5.670 -0.932 -6.207 851 HD3 LYS 114 HD3 LYS 114 -6.193 -0.358 -4.621 852 HE2 LYS 114 HE2 LYS 114 -7.030 1.728 -5.669 853 HE3 LYS 114 HE3 LYS 114 -6.539 1.121 -7.252 854 HZ1 LYS 114 HZ1 LYS 114 -8.540 -0.161 -5.474 855 HZ2 LYS 114 HZ2 LYS 114 -8.110 -0.668 -7.026 856 HZ3 LYS 114 HZ3 LYS 114 -8.903 0.811 -6.813 857 H TRP 115 H TRP 115 -0.736 -0.517 -1.504 858 HA TRP 115 HA TRP 115 -2.293 1.855 -2.365 859 HB2 TRP 115 HB2 TRP 115 -2.067 0.596 0.410 860 HB3 TRP 115 HB3 TRP 115 -3.058 1.991 -0.004 861 HD1 TRP 115 HD1 TRP 115 -3.104 -1.801 -0.057 862 HE1 TRP 115 HE1 TRP 115 -5.349 -2.637 -0.932 863 HE3 TRP 115 HE3 TRP 115 -5.032 2.645 -1.678 864 HZ2 TRP 115 HZ2 TRP 115 -7.647 -1.578 -2.148 865 HZ3 TRP 115 HZ3 TRP 115 -7.273 2.640 -2.676 866 HH2 TRP 115 HH2 TRP 115 -8.561 0.577 -2.909 867 H VAL 116 H VAL 116 -1.394 3.796 -2.233 868 HA VAL 116 HA VAL 116 1.036 4.313 -0.575 869 HB VAL 116 HB VAL 116 1.730 6.045 -2.257 870 HG11 VAL 116 HG11 VAL 116 2.608 4.496 -3.967 871 HG12 VAL 116 HG12 VAL 116 1.478 3.250 -3.436 872 HG13 VAL 116 HG13 VAL 116 2.752 3.804 -2.348 873 HG21 VAL 116 HG21 VAL 116 -0.477 6.515 -3.284 874 HG22 VAL 116 HG22 VAL 116 -0.495 4.907 -4.011 875 HG23 VAL 116 HG23 VAL 116 0.713 6.091 -4.519 876 H THR 117 H THR 117 1.218 6.656 0.141 877 HA THR 117 HA THR 117 -1.468 7.913 0.492 878 HB THR 117 HB THR 117 -0.601 8.877 2.649 879 HG1 THR 117 HG1 THR 117 1.554 7.059 2.198 880 HG21 THR 117 HG21 THR 117 -2.014 6.873 2.705 881 HG22 THR 117 HG22 THR 117 -0.776 6.792 3.960 882 HG23 THR 117 HG23 THR 117 -0.592 5.847 2.483 883 H GLU 118 H GLU 118 -1.324 10.277 1.145 884 HA GLU 118 HA GLU 118 -0.168 11.784 -0.973 885 HB2 GLU 118 HB2 GLU 118 -2.294 12.359 0.216 886 HB3 GLU 118 HB3 GLU 118 -1.367 12.789 1.641 887 HG2 GLU 118 HG2 GLU 118 -0.360 14.670 0.507 888 HG3 GLU 118 HG3 GLU 118 -1.051 14.173 -1.042 889 H ASP 119 H ASP 119 0.827 11.206 2.369 890 HA ASP 119 HA ASP 119 3.009 13.064 2.451 891 HB2 ASP 119 HB2 ASP 119 2.499 10.551 4.096 892 HB3 ASP 119 HB3 ASP 119 3.722 11.764 4.467 893 H GLU 120 H GLU 120 2.669 9.894 1.058 894 HA GLU 120 HA GLU 120 5.548 9.576 0.545 895 HB2 GLU 120 HB2 GLU 120 3.159 7.859 -0.275 896 HB3 GLU 120 HB3 GLU 120 4.853 7.447 -0.562 897 HG2 GLU 120 HG2 GLU 120 5.244 7.417 1.885 898 HG3 GLU 120 HG3 GLU 120 3.543 7.786 2.158 899 H LEU 121 H LEU 121 3.251 11.483 -0.736 900 HA LEU 121 HA LEU 121 4.418 11.502 -3.467 901 HB2 LEU 121 HB2 LEU 121 1.610 12.372 -2.625 902 HB3 LEU 121 HB3 LEU 121 2.265 12.477 -4.254 903 HG LEU 121 HG LEU 121 1.731 9.877 -2.753 904 HD11 LEU 121 HD11 LEU 121 0.146 11.136 -5.017 905 HD12 LEU 121 HD12 LEU 121 -0.365 11.008 -3.332 906 HD13 LEU 121 HD13 LEU 121 -0.151 9.550 -4.296 907 HD21 LEU 121 HD21 LEU 121 3.585 9.638 -4.342 908 HD22 LEU 121 HD22 LEU 121 2.590 10.309 -5.637 909 HD23 LEU 121 HD23 LEU 121 2.166 8.758 -4.906 910 H SER 122 H SER 122 4.193 13.800 -4.445 911 HA SER 122 HA SER 122 4.277 16.028 -2.537 912 HB2 SER 122 HB2 SER 122 6.594 15.397 -4.430 913 HB3 SER 122 HB3 SER 122 6.427 16.894 -3.515 914 HG SER 122 HG SER 122 6.212 15.049 -1.720 915 H ALA 123 H ALA 123 3.028 17.626 -3.381 916 HA ALA 123 HA ALA 123 1.999 17.580 -6.044 917 HB1 ALA 123 HB1 ALA 123 1.897 19.813 -3.978 918 HB2 ALA 123 HB2 ALA 123 0.723 18.509 -4.161 919 HB3 ALA 123 HB3 ALA 123 0.907 19.709 -5.439 920 H LYS 124 H LYS 124 3.191 18.068 -7.825 921 HA LYS 124 HA LYS 124 5.567 19.739 -7.639 922 HB2 LYS 124 HB2 LYS 124 5.569 17.583 -8.925 923 HB3 LYS 124 HB3 LYS 124 4.440 18.291 -10.076 924 HG2 LYS 124 HG2 LYS 124 6.147 20.011 -10.659 925 HG3 LYS 124 HG3 LYS 124 7.270 19.268 -9.521 926 HD2 LYS 124 HD2 LYS 124 7.843 18.522 -11.761 927 HD3 LYS 124 HD3 LYS 124 7.178 17.150 -10.875 928 HE2 LYS 124 HE2 LYS 124 6.268 17.146 -13.119 929 HE3 LYS 124 HE3 LYS 124 4.969 17.563 -12.001 930 HZ1 LYS 124 HZ1 LYS 124 6.528 19.486 -13.644 931 HZ2 LYS 124 HZ2 LYS 124 5.286 19.896 -12.573 932 HZ3 LYS 124 HZ3 LYS 124 4.946 18.974 -13.949 933 H LEU 125 H LEU 125 4.451 21.728 -7.136 934 HA LEU 125 HA LEU 125 2.987 23.178 -9.159 935 HB2 LEU 125 HB2 LEU 125 2.652 23.736 -6.810 936 HB3 LEU 125 HB3 LEU 125 4.368 24.014 -6.577 937 HG LEU 125 HG LEU 125 4.209 26.035 -8.067 938 HD11 LEU 125 HD11 LEU 125 2.018 26.975 -8.632 939 HD12 LEU 125 HD12 LEU 125 1.217 25.543 -7.986 940 HD13 LEU 125 HD13 LEU 125 2.257 25.411 -9.408 941 HD21 LEU 125 HD21 LEU 125 2.356 26.090 -5.658 942 HD22 LEU 125 HD22 LEU 125 3.127 27.488 -6.414 943 HD23 LEU 125 HD23 LEU 125 4.113 26.266 -5.618 944 H GLU 126 H GLU 126 6.263 23.516 -7.755 945 HA GLU 126 HA GLU 126 7.216 24.953 -10.156 946 HB2 GLU 126 HB2 GLU 126 8.429 24.633 -7.385 947 HB3 GLU 126 HB3 GLU 126 9.266 25.406 -8.723 948 HG2 GLU 126 HG2 GLU 126 7.353 27.077 -8.814 949 HG3 GLU 126 HG3 GLU 126 6.771 26.367 -7.305 950 H HIS 127 H HIS 127 9.553 24.543 -10.670 951 HA HIS 127 HA HIS 127 10.416 22.128 -11.556 952 HB2 HIS 127 HB2 HIS 127 12.793 23.108 -11.159 953 HB3 HIS 127 HB3 HIS 127 11.674 24.056 -12.130 954 HD1 HIS 127 HD1 HIS 127 13.184 23.984 -8.646 955 HD2 HIS 127 HD2 HIS 127 11.077 26.576 -11.120 956 HE1 HIS 127 HE1 HIS 127 13.144 26.186 -7.446 957 HE2 HIS 127 HE2 HIS 127 11.646 27.638 -8.836 958 H HIS 128 H HIS 128 10.990 20.204 -10.702 959 HA HIS 128 HA HIS 128 12.230 19.999 -8.030 960 HB2 HIS 128 HB2 HIS 128 9.798 18.471 -9.019 961 HB3 HIS 128 HB3 HIS 128 10.889 17.717 -7.860 962 HD1 HIS 128 HD1 HIS 128 8.816 20.892 -8.165 963 HD2 HIS 128 HD2 HIS 128 10.305 18.322 -5.267 964 HE1 HIS 128 HE1 HIS 128 7.876 21.716 -6.001 965 HE2 HIS 128 HE2 HIS 128 8.955 20.277 -4.250 966 H HIS 129 H HIS 129 14.251 19.384 -8.541 967 HA HIS 129 HA HIS 129 14.688 17.142 -10.443 968 HB2 HIS 129 HB2 HIS 129 15.807 19.376 -10.940 969 HB3 HIS 129 HB3 HIS 129 16.756 19.174 -9.473 970 HD1 HIS 129 HD1 HIS 129 16.207 17.539 -12.852 971 HD2 HIS 129 HD2 HIS 129 19.045 17.668 -9.822 972 HE1 HIS 129 HE1 HIS 129 18.197 16.313 -13.747 973 HE2 HIS 129 HE2 HIS 129 19.963 16.608 -11.991 974 H HIS 130 H HIS 130 14.759 15.249 -9.330 975 HA HIS 130 HA HIS 130 14.998 15.133 -6.516 976 HB2 HIS 130 HB2 HIS 130 14.798 12.685 -6.717 977 HB3 HIS 130 HB3 HIS 130 13.623 13.515 -7.721 978 HD1 HIS 130 HD1 HIS 130 16.754 11.427 -7.958 979 HD2 HIS 130 HD2 HIS 130 13.779 12.924 -10.445 980 HE1 HIS 130 HE1 HIS 130 17.084 10.279 -10.158 981 HE2 HIS 130 HE2 HIS 130 15.432 11.376 -11.697 982 H HIS 131 H HIS 131 16.634 14.936 -5.185 983 HA HIS 131 HA HIS 131 19.326 14.131 -6.146 984 HB2 HIS 131 HB2 HIS 131 20.211 15.658 -4.317 985 HB3 HIS 131 HB3 HIS 131 19.402 16.489 -5.633 986 HD1 HIS 131 HD1 HIS 131 16.917 17.373 -5.092 987 HD2 HIS 131 HD2 HIS 131 19.185 16.209 -1.809 988 HE1 HIS 131 HE1 HIS 131 15.765 18.360 -3.094 989 HE2 HIS 131 HE2 HIS 131 17.068 17.515 -1.116 990 H HIS 132 H HIS 132 19.946 12.230 -5.341 991 HA HIS 132 HA HIS 132 20.272 10.395 -4.080 992 HB2 HIS 132 HB2 HIS 132 19.804 12.238 -1.703 993 HB3 HIS 132 HB3 HIS 132 20.564 10.651 -1.634 994 HD1 HIS 132 HD1 HIS 132 21.305 14.193 -2.140 995 HD2 HIS 132 HD2 HIS 132 23.152 10.576 -3.031 996 HE1 HIS 132 HE1 HIS 132 23.684 14.771 -2.678 997 HE2 HIS 132 HE2 HIS 132 24.799 12.568 -3.150 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -2.663 15.429 -1.390 2 H2 MET 1 H2 MET 1 -4.039 14.452 -1.294 3 H3 MET 1 H3 MET 1 -4.189 16.130 -1.211 4 HA MET 1 HA MET 1 -3.500 16.395 -3.460 5 HB2 MET 1 HB2 MET 1 -3.322 13.349 -3.586 6 HB3 MET 1 HB3 MET 1 -2.994 14.471 -4.907 7 HG2 MET 1 HG2 MET 1 -1.381 14.120 -2.373 8 HG3 MET 1 HG3 MET 1 -0.905 13.675 -4.017 9 HE1 MET 1 HE1 MET 1 0.760 15.528 -1.890 10 HE2 MET 1 HE2 MET 1 1.414 16.739 -2.993 11 HE3 MET 1 HE3 MET 1 1.403 15.040 -3.462 12 H LYS 2 H LYS 2 -4.999 16.251 -5.244 13 HA LYS 2 HA LYS 2 -7.689 15.188 -4.560 14 HB2 LYS 2 HB2 LYS 2 -7.515 17.643 -4.978 15 HB3 LYS 2 HB3 LYS 2 -6.852 17.330 -6.578 16 HG2 LYS 2 HG2 LYS 2 -9.028 16.206 -7.189 17 HG3 LYS 2 HG3 LYS 2 -9.665 16.683 -5.613 18 HD2 LYS 2 HD2 LYS 2 -10.421 18.253 -7.323 19 HD3 LYS 2 HD3 LYS 2 -9.322 19.071 -6.212 20 HE2 LYS 2 HE2 LYS 2 -7.488 18.850 -7.862 21 HE3 LYS 2 HE3 LYS 2 -8.576 18.006 -8.967 22 HZ1 LYS 2 HZ1 LYS 2 -8.946 20.789 -8.004 23 HZ2 LYS 2 HZ2 LYS 2 -9.920 19.983 -9.126 24 HZ3 LYS 2 HZ3 LYS 2 -8.316 20.353 -9.507 25 H VAL 3 H VAL 3 -8.881 14.037 -6.257 26 HA VAL 3 HA VAL 3 -7.399 12.413 -8.061 27 HB VAL 3 HB VAL 3 -10.385 13.055 -8.143 28 HG11 VAL 3 HG11 VAL 3 -10.611 10.899 -9.363 29 HG12 VAL 3 HG12 VAL 3 -8.854 10.725 -9.375 30 HG13 VAL 3 HG13 VAL 3 -9.616 12.052 -10.256 31 HG21 VAL 3 HG21 VAL 3 -9.742 12.144 -5.939 32 HG22 VAL 3 HG22 VAL 3 -8.949 10.772 -6.717 33 HG23 VAL 3 HG23 VAL 3 -10.700 10.963 -6.836 34 H GLY 4 H GLY 4 -6.623 12.880 -9.980 35 HA2 GLY 4 HA2 GLY 4 -6.586 13.802 -12.196 36 HA3 GLY 4 HA3 GLY 4 -7.534 15.166 -11.625 37 H SER 5 H SER 5 -5.375 14.823 -9.209 38 HA SER 5 HA SER 5 -3.656 16.965 -10.076 39 HB2 SER 5 HB2 SER 5 -3.527 15.226 -7.565 40 HB3 SER 5 HB3 SER 5 -2.525 16.655 -7.849 41 HG SER 5 HG SER 5 -4.336 17.934 -7.771 42 H GLN 6 H GLN 6 -1.735 16.849 -11.035 43 HA GLN 6 HA GLN 6 -0.404 14.281 -11.554 44 HB2 GLN 6 HB2 GLN 6 0.230 17.109 -12.528 45 HB3 GLN 6 HB3 GLN 6 1.219 15.706 -12.910 46 HG2 GLN 6 HG2 GLN 6 -0.171 16.152 -14.802 47 HG3 GLN 6 HG3 GLN 6 -0.754 14.675 -14.045 48 HE21 GLN 6 HE21 GLN 6 -1.469 17.977 -12.907 49 HE22 GLN 6 HE22 GLN 6 -3.155 17.900 -13.261 50 H VAL 7 H VAL 7 1.113 13.548 -10.179 51 HA VAL 7 HA VAL 7 2.520 15.427 -8.351 52 HB VAL 7 HB VAL 7 2.359 13.719 -6.534 53 HG11 VAL 7 HG11 VAL 7 -0.027 14.066 -5.955 54 HG12 VAL 7 HG12 VAL 7 -0.361 14.576 -7.613 55 HG13 VAL 7 HG13 VAL 7 0.704 15.543 -6.589 56 HG21 VAL 7 HG21 VAL 7 2.097 11.668 -7.900 57 HG22 VAL 7 HG22 VAL 7 0.495 12.198 -8.420 58 HG23 VAL 7 HG23 VAL 7 0.785 11.795 -6.724 59 H ILE 8 H ILE 8 4.632 14.919 -7.829 60 HA ILE 8 HA ILE 8 6.014 12.707 -9.169 61 HB ILE 8 HB ILE 8 7.243 14.935 -7.468 62 HG12 ILE 8 HG12 ILE 8 6.083 15.992 -9.374 63 HG13 ILE 8 HG13 ILE 8 7.823 16.107 -9.590 64 HG21 ILE 8 HG21 ILE 8 8.528 13.037 -9.482 65 HG22 ILE 8 HG22 ILE 8 8.699 12.965 -7.726 66 HG23 ILE 8 HG23 ILE 8 9.361 14.334 -8.619 67 HD11 ILE 8 HD11 ILE 8 7.729 14.262 -11.207 68 HD12 ILE 8 HD12 ILE 8 6.712 15.623 -11.679 69 HD13 ILE 8 HD13 ILE 8 5.978 14.175 -10.992 70 H ILE 9 H ILE 9 6.692 10.934 -8.005 71 HA ILE 9 HA ILE 9 5.686 10.699 -5.243 72 HB ILE 9 HB ILE 9 6.718 8.459 -7.041 73 HG12 ILE 9 HG12 ILE 9 3.849 9.459 -6.670 74 HG13 ILE 9 HG13 ILE 9 4.802 9.583 -8.143 75 HG21 ILE 9 HG21 ILE 9 4.987 8.372 -4.531 76 HG22 ILE 9 HG22 ILE 9 6.686 7.905 -4.630 77 HG23 ILE 9 HG23 ILE 9 5.467 6.977 -5.500 78 HD11 ILE 9 HD11 ILE 9 3.832 7.024 -6.876 79 HD12 ILE 9 HD12 ILE 9 4.770 7.150 -8.366 80 HD13 ILE 9 HD13 ILE 9 3.142 7.823 -8.287 81 H ASN 10 H ASN 10 7.074 10.898 -3.569 82 HA ASN 10 HA ASN 10 9.958 11.079 -4.137 83 HB2 ASN 10 HB2 ASN 10 10.117 12.315 -1.995 84 HB3 ASN 10 HB3 ASN 10 8.972 13.055 -3.101 85 HD21 ASN 10 HD21 ASN 10 6.767 13.058 -2.561 86 HD22 ASN 10 HD22 ASN 10 6.204 12.649 -0.978 87 H THR 11 H THR 11 7.705 9.097 -2.340 88 HA THR 11 HA THR 11 9.930 7.521 -1.151 89 HB THR 11 HB THR 11 6.976 7.374 -0.357 90 HG1 THR 11 HG1 THR 11 7.555 8.660 1.424 91 HG21 THR 11 HG21 THR 11 9.485 6.387 1.061 92 HG22 THR 11 HG22 THR 11 8.304 5.368 0.230 93 HG23 THR 11 HG23 THR 11 7.835 6.266 1.674 94 H SER 12 H SER 12 9.984 5.247 -1.552 95 HA SER 12 HA SER 12 8.302 4.327 -3.823 96 HB2 SER 12 HB2 SER 12 10.305 3.176 -4.736 97 HB3 SER 12 HB3 SER 12 10.510 4.920 -4.661 98 HG SER 12 HG SER 12 12.122 3.142 -3.690 99 H HIS 13 H HIS 13 7.085 2.706 -3.186 100 HA HIS 13 HA HIS 13 7.966 0.518 -1.489 101 HB2 HIS 13 HB2 HIS 13 5.479 0.768 -3.252 102 HB3 HIS 13 HB3 HIS 13 5.759 -0.483 -2.045 103 HD2 HIS 13 HD2 HIS 13 6.698 2.925 -0.605 104 HE1 HIS 13 HE1 HIS 13 2.675 2.197 0.420 105 HE2 HIS 13 HE2 HIS 13 4.598 3.795 0.628 106 H MET 14 H MET 14 7.277 1.090 -4.936 107 HA MET 14 HA MET 14 8.988 -1.177 -5.757 108 HB2 MET 14 HB2 MET 14 7.271 0.699 -7.460 109 HB3 MET 14 HB3 MET 14 8.144 -0.715 -8.042 110 HG2 MET 14 HG2 MET 14 5.802 -0.721 -6.125 111 HG3 MET 14 HG3 MET 14 5.774 -1.207 -7.822 112 HE1 MET 14 HE1 MET 14 4.595 -3.525 -7.070 113 HE2 MET 14 HE2 MET 14 4.671 -3.023 -5.379 114 HE3 MET 14 HE3 MET 14 5.285 -4.605 -5.859 115 H LYS 15 H LYS 15 10.984 -0.787 -6.735 116 HA LYS 15 HA LYS 15 12.402 1.549 -6.075 117 HB2 LYS 15 HB2 LYS 15 14.252 0.564 -7.480 118 HB3 LYS 15 HB3 LYS 15 13.584 -0.519 -6.266 119 HG2 LYS 15 HG2 LYS 15 12.273 -1.692 -7.993 120 HG3 LYS 15 HG3 LYS 15 12.886 -0.585 -9.224 121 HD2 LYS 15 HD2 LYS 15 14.092 -2.736 -9.276 122 HD3 LYS 15 HD3 LYS 15 15.177 -1.409 -8.858 123 HE2 LYS 15 HE2 LYS 15 15.034 -2.048 -6.466 124 HE3 LYS 15 HE3 LYS 15 13.934 -3.366 -6.878 125 HZ1 LYS 15 HZ1 LYS 15 16.187 -4.140 -6.586 126 HZ2 LYS 15 HZ2 LYS 15 16.741 -3.101 -7.800 127 HZ3 LYS 15 HZ3 LYS 15 15.688 -4.368 -8.183 128 H GLY 16 H GLY 16 10.754 0.712 -9.092 129 HA2 GLY 16 HA2 GLY 16 11.847 2.878 -10.674 130 HA3 GLY 16 HA3 GLY 16 10.500 1.837 -11.097 131 H MET 17 H MET 17 9.813 3.056 -8.100 132 HA MET 17 HA MET 17 8.015 5.101 -9.235 133 HB2 MET 17 HB2 MET 17 7.089 3.116 -7.923 134 HB3 MET 17 HB3 MET 17 7.834 3.801 -6.482 135 HG2 MET 17 HG2 MET 17 6.436 5.756 -6.621 136 HG3 MET 17 HG3 MET 17 5.829 5.270 -8.202 137 HE1 MET 17 HE1 MET 17 4.754 3.087 -4.279 138 HE2 MET 17 HE2 MET 17 5.803 4.504 -4.342 139 HE3 MET 17 HE3 MET 17 6.355 2.962 -5.007 140 H LYS 18 H LYS 18 10.849 4.750 -7.272 141 HA LYS 18 HA LYS 18 10.797 7.155 -5.787 142 HB2 LYS 18 HB2 LYS 18 12.442 5.109 -5.661 143 HB3 LYS 18 HB3 LYS 18 13.345 5.931 -6.922 144 HG2 LYS 18 HG2 LYS 18 14.371 6.436 -4.809 145 HG3 LYS 18 HG3 LYS 18 13.582 7.912 -5.382 146 HD2 LYS 18 HD2 LYS 18 11.733 7.609 -3.831 147 HD3 LYS 18 HD3 LYS 18 12.283 5.987 -3.407 148 HE2 LYS 18 HE2 LYS 18 12.826 7.507 -1.602 149 HE3 LYS 18 HE3 LYS 18 14.322 6.982 -2.377 150 HZ1 LYS 18 HZ1 LYS 18 14.301 9.354 -1.897 151 HZ2 LYS 18 HZ2 LYS 18 12.943 9.562 -2.884 152 HZ3 LYS 18 HZ3 LYS 18 14.413 9.065 -3.560 153 H GLY 19 H GLY 19 10.678 9.189 -6.598 154 HA2 GLY 19 HA2 GLY 19 11.206 11.085 -7.812 155 HA3 GLY 19 HA3 GLY 19 12.431 10.175 -8.675 156 H ALA 20 H ALA 20 9.470 8.538 -8.905 157 HA ALA 20 HA ALA 20 9.359 9.001 -11.746 158 HB1 ALA 20 HB1 ALA 20 7.478 7.386 -9.989 159 HB2 ALA 20 HB2 ALA 20 8.930 6.779 -10.788 160 HB3 ALA 20 HB3 ALA 20 7.562 7.331 -11.755 161 H GLU 21 H GLU 21 7.745 9.915 -12.979 162 HA GLU 21 HA GLU 21 6.079 11.990 -11.785 163 HB2 GLU 21 HB2 GLU 21 6.427 11.168 -14.702 164 HB3 GLU 21 HB3 GLU 21 5.599 12.616 -14.130 165 HG2 GLU 21 HG2 GLU 21 7.743 13.424 -13.154 166 HG3 GLU 21 HG3 GLU 21 8.553 11.999 -13.809 167 H ALA 22 H ALA 22 3.865 11.883 -11.560 168 HA ALA 22 HA ALA 22 2.389 9.516 -12.497 169 HB1 ALA 22 HB1 ALA 22 3.364 8.897 -10.315 170 HB2 ALA 22 HB2 ALA 22 1.603 8.966 -10.241 171 HB3 ALA 22 HB3 ALA 22 2.569 10.281 -9.561 172 H THR 23 H THR 23 0.060 9.594 -11.879 173 HA THR 23 HA THR 23 -1.071 12.252 -11.253 174 HB THR 23 HB THR 23 -2.129 10.479 -13.516 175 HG1 THR 23 HG1 THR 23 -0.332 12.603 -13.477 176 HG21 THR 23 HG21 THR 23 -3.640 12.369 -14.024 177 HG22 THR 23 HG22 THR 23 -3.020 13.255 -12.629 178 HG23 THR 23 HG23 THR 23 -3.934 11.763 -12.391 179 H VAL 24 H VAL 24 -2.907 12.148 -9.965 180 HA VAL 24 HA VAL 24 -3.383 9.643 -8.547 181 HB VAL 24 HB VAL 24 -4.551 12.428 -8.073 182 HG11 VAL 24 HG11 VAL 24 -5.229 11.581 -5.837 183 HG12 VAL 24 HG12 VAL 24 -4.667 9.967 -6.274 184 HG13 VAL 24 HG13 VAL 24 -6.032 10.686 -7.132 185 HG21 VAL 24 HG21 VAL 24 -2.102 12.388 -7.748 186 HG22 VAL 24 HG22 VAL 24 -2.258 11.021 -6.642 187 HG23 VAL 24 HG23 VAL 24 -2.932 12.590 -6.201 188 H THR 25 H THR 25 -4.834 8.244 -9.405 189 HA THR 25 HA THR 25 -7.187 9.173 -10.916 190 HB THR 25 HB THR 25 -7.388 6.752 -11.588 191 HG1 THR 25 HG1 THR 25 -6.066 5.284 -10.783 192 HG21 THR 25 HG21 THR 25 -6.137 8.325 -13.028 193 HG22 THR 25 HG22 THR 25 -5.451 6.699 -13.089 194 HG23 THR 25 HG23 THR 25 -4.656 7.955 -12.138 195 H GLY 26 H GLY 26 -6.456 8.256 -7.724 196 HA2 GLY 26 HA2 GLY 26 -9.261 8.208 -7.009 197 HA3 GLY 26 HA3 GLY 26 -8.449 6.666 -6.753 198 H ALA 27 H ALA 27 -9.623 8.573 -4.784 199 HA ALA 27 HA ALA 27 -7.288 8.792 -2.972 200 HB1 ALA 27 HB1 ALA 27 -8.053 10.994 -2.167 201 HB2 ALA 27 HB2 ALA 27 -9.373 10.984 -3.341 202 HB3 ALA 27 HB3 ALA 27 -7.699 11.051 -3.895 203 H TYR 28 H TYR 28 -7.722 7.555 -1.235 204 HA TYR 28 HA TYR 28 -10.531 7.036 -0.397 205 HB2 TYR 28 HB2 TYR 28 -8.088 5.213 -0.352 206 HB3 TYR 28 HB3 TYR 28 -9.605 4.811 0.443 207 HD1 TYR 28 HD1 TYR 28 -8.262 5.738 -2.964 208 HD2 TYR 28 HD2 TYR 28 -11.201 3.542 -0.755 209 HE1 TYR 28 HE1 TYR 28 -9.065 4.708 -5.048 210 HE2 TYR 28 HE2 TYR 28 -11.998 2.519 -2.841 211 HH TYR 28 HH TYR 28 -12.000 3.016 -5.263 212 H ASP 29 H ASP 29 -10.974 8.028 1.526 213 HA ASP 29 HA ASP 29 -8.802 8.600 3.441 214 HB2 ASP 29 HB2 ASP 29 -10.460 10.085 4.583 215 HB3 ASP 29 HB3 ASP 29 -10.174 10.539 2.910 216 H THR 30 H THR 30 -8.492 6.448 4.135 217 HA THR 30 HA THR 30 -10.580 5.285 5.898 218 HB THR 30 HB THR 30 -10.771 4.116 3.745 219 HG1 THR 30 HG1 THR 30 -11.106 2.407 4.930 220 HG21 THR 30 HG21 THR 30 -8.504 4.495 2.840 221 HG22 THR 30 HG22 THR 30 -8.914 2.779 2.805 222 HG23 THR 30 HG23 THR 30 -7.826 3.398 4.049 223 H THR 31 H THR 31 -9.623 3.344 7.162 224 HA THR 31 HA THR 31 -7.143 4.134 8.453 225 HB THR 31 HB THR 31 -8.824 1.647 9.021 226 HG1 THR 31 HG1 THR 31 -10.162 2.935 10.044 227 HG21 THR 31 HG21 THR 31 -6.788 3.124 10.744 228 HG22 THR 31 HG22 THR 31 -6.528 1.556 9.974 229 HG23 THR 31 HG23 THR 31 -7.737 1.721 11.250 230 H ALA 32 H ALA 32 -5.236 3.463 7.807 231 HA ALA 32 HA ALA 32 -4.854 1.082 6.102 232 HB1 ALA 32 HB1 ALA 32 -2.785 2.151 5.312 233 HB2 ALA 32 HB2 ALA 32 -3.065 3.527 6.386 234 HB3 ALA 32 HB3 ALA 32 -4.168 3.216 5.044 235 H TYR 33 H TYR 33 -2.687 -0.002 6.514 236 HA TYR 33 HA TYR 33 -1.898 -0.038 9.348 237 HB2 TYR 33 HB2 TYR 33 -2.902 -2.504 7.842 238 HB3 TYR 33 HB3 TYR 33 -2.180 -2.527 9.446 239 HD1 TYR 33 HD1 TYR 33 -3.407 -1.318 11.352 240 HD2 TYR 33 HD2 TYR 33 -5.269 -2.107 7.580 241 HE1 TYR 33 HE1 TYR 33 -5.617 -0.988 12.369 242 HE2 TYR 33 HE2 TYR 33 -7.481 -1.785 8.605 243 HH TYR 33 HH TYR 33 -7.906 -0.387 11.676 244 H VAL 34 H VAL 34 0.093 -0.817 9.744 245 HA VAL 34 HA VAL 34 1.907 -1.598 7.540 246 HB VAL 34 HB VAL 34 2.568 -0.885 10.450 247 HG11 VAL 34 HG11 VAL 34 4.424 -1.208 8.057 248 HG12 VAL 34 HG12 VAL 34 4.263 -2.342 9.401 249 HG13 VAL 34 HG13 VAL 34 4.912 -0.728 9.684 250 HG21 VAL 34 HG21 VAL 34 1.653 1.098 9.315 251 HG22 VAL 34 HG22 VAL 34 2.805 0.899 7.992 252 HG23 VAL 34 HG23 VAL 34 3.384 1.303 9.611 253 H VAL 35 H VAL 35 2.248 -3.839 7.361 254 HA VAL 35 HA VAL 35 1.643 -5.555 9.728 255 HB VAL 35 HB VAL 35 0.768 -7.316 8.143 256 HG11 VAL 35 HG11 VAL 35 -1.467 -6.302 7.845 257 HG12 VAL 35 HG12 VAL 35 -0.790 -4.699 8.147 258 HG13 VAL 35 HG13 VAL 35 -0.790 -5.913 9.430 259 HG21 VAL 35 HG21 VAL 35 1.816 -6.532 6.041 260 HG22 VAL 35 HG22 VAL 35 0.819 -5.077 6.065 261 HG23 VAL 35 HG23 VAL 35 0.064 -6.659 5.846 262 H SER 36 H SER 36 2.801 -7.444 10.015 263 HA SER 36 HA SER 36 5.096 -8.014 8.217 264 HB2 SER 36 HB2 SER 36 6.237 -8.989 10.213 265 HB3 SER 36 HB3 SER 36 5.871 -7.281 10.456 266 HG SER 36 HG SER 36 4.517 -9.535 11.526 267 H TYR 37 H TYR 37 5.050 -10.030 7.266 268 HA TYR 37 HA TYR 37 3.366 -12.169 8.324 269 HB2 TYR 37 HB2 TYR 37 2.067 -12.425 6.201 270 HB3 TYR 37 HB3 TYR 37 1.709 -10.929 7.041 271 HD1 TYR 37 HD2 TYR 37 2.322 -8.759 6.070 272 HD2 TYR 37 HD1 TYR 37 3.227 -12.382 3.988 273 HE1 TYR 37 HE2 TYR 37 2.709 -7.491 4.017 274 HE2 TYR 37 HE1 TYR 37 3.619 -11.099 1.929 275 HH TYR 37 HH TYR 37 3.939 -7.713 1.917 276 H THR 38 H THR 38 3.713 -14.183 7.406 277 HA THR 38 HA THR 38 6.191 -14.525 5.822 278 HB THR 38 HB THR 38 4.605 -16.648 7.349 279 HG1 THR 38 HG1 THR 38 6.766 -16.478 8.594 280 HG21 THR 38 HG21 THR 38 6.614 -18.076 7.020 281 HG22 THR 38 HG22 THR 38 7.351 -16.808 6.041 282 HG23 THR 38 HG23 THR 38 5.895 -17.625 5.471 283 HA PRO 39 HA PRO 39 3.194 -14.807 2.306 284 HB2 PRO 39 HB2 PRO 39 5.790 -15.640 0.977 285 HB3 PRO 39 HB3 PRO 39 4.544 -14.517 0.410 286 HG2 PRO 39 HG2 PRO 39 6.792 -13.551 1.434 287 HG3 PRO 39 HG3 PRO 39 5.239 -12.797 1.858 288 HD2 PRO 39 HD2 PRO 39 6.947 -14.675 3.489 289 HD3 PRO 39 HD3 PRO 39 6.028 -13.245 4.010 290 H THR 40 H THR 40 2.123 -16.483 1.291 291 HA THR 40 HA THR 40 2.315 -19.141 2.287 292 HB THR 40 HB THR 40 0.574 -19.710 0.585 293 HG1 THR 40 HG1 THR 40 -0.052 -17.374 -0.428 294 HG21 THR 40 HG21 THR 40 -1.190 -18.194 1.384 295 HG22 THR 40 HG22 THR 40 0.028 -17.078 2.000 296 HG23 THR 40 HG23 THR 40 -0.141 -18.682 2.718 297 H ASN 41 H ASN 41 3.908 -17.605 -0.416 298 HA ASN 41 HA ASN 41 4.714 -19.848 -1.925 299 HB2 ASN 41 HB2 ASN 41 5.019 -17.403 -2.536 300 HB3 ASN 41 HB3 ASN 41 6.335 -17.320 -1.370 301 HD21 ASN 41 HD21 ASN 41 7.906 -16.838 -2.895 302 HD22 ASN 41 HD22 ASN 41 8.441 -17.964 -4.089 303 H GLY 42 H GLY 42 5.708 -18.748 1.217 304 HA2 GLY 42 HA2 GLY 42 6.670 -19.993 2.916 305 HA3 GLY 42 HA3 GLY 42 7.076 -21.250 1.761 306 H GLY 43 H GLY 43 8.138 -18.061 0.891 307 HA2 GLY 43 HA2 GLY 43 10.920 -18.838 1.123 308 HA3 GLY 43 HA3 GLY 43 10.287 -17.363 0.418 309 H GLN 44 H GLN 44 10.637 -15.519 1.527 310 HA GLN 44 HA GLN 44 11.581 -15.665 4.338 311 HB2 GLN 44 HB2 GLN 44 12.769 -13.548 3.928 312 HB3 GLN 44 HB3 GLN 44 13.263 -14.781 2.779 313 HG2 GLN 44 HG2 GLN 44 11.980 -13.743 1.007 314 HG3 GLN 44 HG3 GLN 44 11.253 -12.603 2.140 315 HE21 GLN 44 HE21 GLN 44 12.012 -10.823 0.953 316 HE22 GLN 44 HE22 GLN 44 13.676 -10.360 0.956 317 H ARG 45 H ARG 45 10.666 -14.414 5.922 318 HA ARG 45 HA ARG 45 8.041 -13.387 5.661 319 HB2 ARG 45 HB2 ARG 45 9.023 -14.234 7.799 320 HB3 ARG 45 HB3 ARG 45 10.085 -12.831 7.861 321 HG2 ARG 45 HG2 ARG 45 7.949 -11.398 7.911 322 HG3 ARG 45 HG3 ARG 45 7.063 -12.902 8.173 323 HD2 ARG 45 HD2 ARG 45 7.462 -11.836 10.309 324 HD3 ARG 45 HD3 ARG 45 8.447 -13.303 10.222 325 HE ARG 45 HE ARG 45 9.535 -10.601 9.674 326 HH11 ARG 45 HH11 ARG 45 9.912 -13.677 11.218 327 HH12 ARG 45 HH12 ARG 45 11.424 -13.235 11.924 328 HH21 ARG 45 HH21 ARG 45 11.440 -10.078 10.557 329 HH22 ARG 45 HH22 ARG 45 12.286 -11.214 11.554 330 H VAL 46 H VAL 46 7.286 -11.416 5.199 331 HA VAL 46 HA VAL 46 9.056 -9.184 4.523 332 HB VAL 46 HB VAL 46 6.020 -9.404 4.262 333 HG11 VAL 46 HG11 VAL 46 7.957 -7.456 2.930 334 HG12 VAL 46 HG12 VAL 46 6.817 -7.061 4.220 335 HG13 VAL 46 HG13 VAL 46 6.217 -7.544 2.633 336 HG21 VAL 46 HG21 VAL 46 6.387 -9.993 1.892 337 HG22 VAL 46 HG22 VAL 46 7.122 -11.188 2.960 338 HG23 VAL 46 HG23 VAL 46 8.134 -9.989 2.150 339 H ASP 47 H ASP 47 9.518 -7.678 6.052 340 HA ASP 47 HA ASP 47 7.723 -7.278 8.384 341 HB2 ASP 47 HB2 ASP 47 10.655 -6.528 8.000 342 HB3 ASP 47 HB3 ASP 47 9.701 -6.100 9.420 343 H HIS 48 H HIS 48 6.785 -5.356 8.768 344 HA HIS 48 HA HIS 48 5.920 -3.275 8.500 345 HB2 HIS 48 HB2 HIS 48 8.812 -2.733 7.757 346 HB3 HIS 48 HB3 HIS 48 7.620 -1.443 7.857 347 HD1 HIS 48 HD1 HIS 48 8.422 -0.224 9.883 348 HD2 HIS 48 HD2 HIS 48 8.021 -4.300 10.557 349 HE1 HIS 48 HE1 HIS 48 8.805 -0.534 12.339 350 HE2 HIS 48 HE2 HIS 48 8.286 -2.959 12.745 351 H HIS 49 H HIS 49 5.316 -4.949 6.358 352 HA HIS 49 HA HIS 49 5.592 -3.714 3.817 353 HB2 HIS 49 HB2 HIS 49 4.946 -6.094 4.082 354 HB3 HIS 49 HB3 HIS 49 3.405 -5.605 4.774 355 HD2 HIS 49 HD2 HIS 49 1.458 -4.818 2.937 356 HE1 HIS 49 HE1 HIS 49 3.825 -5.521 -0.494 357 HE2 HIS 49 HE2 HIS 49 1.562 -4.770 0.350 358 H LYS 50 H LYS 50 4.653 -1.979 3.032 359 HA LYS 50 HA LYS 50 2.099 -0.951 4.117 360 HB2 LYS 50 HB2 LYS 50 4.551 0.719 3.405 361 HB3 LYS 50 HB3 LYS 50 3.000 1.354 3.948 362 HG2 LYS 50 HG2 LYS 50 3.306 0.336 6.149 363 HG3 LYS 50 HG3 LYS 50 4.807 -0.429 5.621 364 HD2 LYS 50 HD2 LYS 50 4.299 2.556 5.938 365 HD3 LYS 50 HD3 LYS 50 5.308 1.540 6.971 366 HE2 LYS 50 HE2 LYS 50 5.825 2.293 4.077 367 HE3 LYS 50 HE3 LYS 50 6.751 2.798 5.490 368 HZ1 LYS 50 HZ1 LYS 50 7.345 0.419 5.815 369 HZ2 LYS 50 HZ2 LYS 50 7.928 1.070 4.368 370 HZ3 LYS 50 HZ3 LYS 50 6.578 0.055 4.351 371 H TRP 51 H TRP 51 1.145 0.129 0.820 372 HA TRP 51 HA TRP 51 0.586 -0.222 3.713 373 HB2 TRP 51 HB2 TRP 51 -0.696 1.680 1.697 374 HB3 TRP 51 HB3 TRP 51 -1.265 1.464 3.351 375 HD1 TRP 51 HD1 TRP 51 1.521 3.142 1.343 376 HE1 TRP 51 HE1 TRP 51 2.855 4.689 2.890 377 HE3 TRP 51 HE3 TRP 51 -0.525 1.765 5.836 378 HZ2 TRP 51 HZ2 TRP 51 3.026 5.274 5.643 379 HZ3 TRP 51 HZ3 TRP 51 0.280 2.874 7.886 380 HH2 TRP 51 HH2 TRP 51 2.023 4.596 7.790 381 H VAL 52 H VAL 52 -1.117 -1.393 4.362 382 HA VAL 52 HA VAL 52 -2.983 -2.554 2.358 383 HB VAL 52 HB VAL 52 -3.429 -4.429 3.915 384 HG11 VAL 52 HG11 VAL 52 -1.316 -5.680 3.634 385 HG12 VAL 52 HG12 VAL 52 -0.464 -4.176 3.273 386 HG13 VAL 52 HG13 VAL 52 -1.718 -4.764 2.178 387 HG21 VAL 52 HG21 VAL 52 -2.927 -3.333 6.068 388 HG22 VAL 52 HG22 VAL 52 -1.209 -3.288 5.667 389 HG23 VAL 52 HG23 VAL 52 -2.016 -4.839 5.915 390 H ILE 53 H ILE 53 -5.209 -2.362 2.807 391 HA ILE 53 HA ILE 53 -5.902 -0.538 5.058 392 HB ILE 53 HB ILE 53 -7.836 0.236 3.748 393 HG12 ILE 53 HG12 ILE 53 -6.783 -1.564 1.511 394 HG13 ILE 53 HG13 ILE 53 -8.275 -1.816 2.409 395 HG21 ILE 53 HG21 ILE 53 -5.230 0.457 2.186 396 HG22 ILE 53 HG22 ILE 53 -5.703 1.461 3.559 397 HG23 ILE 53 HG23 ILE 53 -6.611 1.550 2.049 398 HD11 ILE 53 HD11 ILE 53 -7.672 0.446 0.513 399 HD12 ILE 53 HD12 ILE 53 -9.157 0.285 1.456 400 HD13 ILE 53 HD13 ILE 53 -8.750 -0.921 0.234 401 H GLN 54 H GLN 54 -8.160 -0.784 5.880 402 HA GLN 54 HA GLN 54 -8.660 -3.237 7.014 403 HB2 GLN 54 HB2 GLN 54 -9.549 -1.055 7.795 404 HB3 GLN 54 HB3 GLN 54 -10.690 -1.039 6.456 405 HG2 GLN 54 HG2 GLN 54 -11.865 -2.965 7.370 406 HG3 GLN 54 HG3 GLN 54 -10.664 -3.143 8.648 407 HE21 GLN 54 HE21 GLN 54 -10.674 -1.641 10.368 408 HE22 GLN 54 HE22 GLN 54 -12.042 -0.644 10.687 409 H GLU 55 H GLU 55 -9.929 -2.103 3.866 410 HA GLU 55 HA GLU 55 -11.910 -4.106 3.469 411 HB2 GLU 55 HB2 GLU 55 -11.883 -1.955 2.268 412 HB3 GLU 55 HB3 GLU 55 -10.368 -2.379 1.491 413 HG2 GLU 55 HG2 GLU 55 -12.201 -2.610 -0.079 414 HG3 GLU 55 HG3 GLU 55 -11.498 -4.191 0.256 415 H GLU 56 H GLU 56 -8.444 -4.185 3.170 416 HA GLU 56 HA GLU 56 -8.374 -6.439 1.272 417 HB2 GLU 56 HB2 GLU 56 -6.160 -4.747 2.507 418 HB3 GLU 56 HB3 GLU 56 -5.886 -6.073 1.377 419 HG2 GLU 56 HG2 GLU 56 -7.221 -4.861 -0.331 420 HG3 GLU 56 HG3 GLU 56 -7.409 -3.521 0.797 421 H ILE 57 H ILE 57 -8.841 -6.178 4.496 422 HA ILE 57 HA ILE 57 -7.192 -8.516 5.257 423 HB ILE 57 HB ILE 57 -8.447 -6.307 6.952 424 HG12 ILE 57 HG12 ILE 57 -5.514 -7.018 6.443 425 HG13 ILE 57 HG13 ILE 57 -6.370 -5.683 5.684 426 HG21 ILE 57 HG21 ILE 57 -6.892 -8.743 7.903 427 HG22 ILE 57 HG22 ILE 57 -8.604 -8.415 8.198 428 HG23 ILE 57 HG23 ILE 57 -7.369 -7.379 8.915 429 HD11 ILE 57 HD11 ILE 57 -6.626 -4.617 7.875 430 HD12 ILE 57 HD12 ILE 57 -4.937 -4.908 7.458 431 HD13 ILE 57 HD13 ILE 57 -5.748 -5.957 8.620 432 H LYS 58 H LYS 58 -8.177 -10.358 5.842 433 HA LYS 58 HA LYS 58 -10.899 -10.825 5.115 434 HB2 LYS 58 HB2 LYS 58 -8.904 -12.397 4.826 435 HB3 LYS 58 HB3 LYS 58 -9.015 -12.745 6.549 436 HG2 LYS 58 HG2 LYS 58 -11.318 -13.620 6.197 437 HG3 LYS 58 HG3 LYS 58 -11.161 -13.276 4.468 438 HD2 LYS 58 HD2 LYS 58 -9.098 -14.820 4.502 439 HD3 LYS 58 HD3 LYS 58 -9.626 -15.322 6.114 440 HE2 LYS 58 HE2 LYS 58 -10.431 -16.917 4.475 441 HE3 LYS 58 HE3 LYS 58 -11.813 -16.022 5.105 442 HZ1 LYS 58 HZ1 LYS 58 -11.851 -14.690 3.138 443 HZ2 LYS 58 HZ2 LYS 58 -11.848 -16.313 2.680 444 HZ3 LYS 58 HZ3 LYS 58 -10.432 -15.401 2.557 445 H ASP 59 H ASP 59 -9.157 -10.778 8.201 446 HA ASP 59 HA ASP 59 -11.411 -11.571 9.823 447 HB2 ASP 59 HB2 ASP 59 -9.071 -12.189 10.388 448 HB3 ASP 59 HB3 ASP 59 -8.673 -10.493 10.609 449 H ALA 60 H ALA 60 -10.569 -8.590 8.400 450 HA ALA 60 HA ALA 60 -10.651 -6.603 10.236 451 HB1 ALA 60 HB1 ALA 60 -10.294 -6.261 7.839 452 HB2 ALA 60 HB2 ALA 60 -11.471 -5.114 8.480 453 HB3 ALA 60 HB3 ALA 60 -12.014 -6.506 7.539 454 H GLY 61 H GLY 61 -13.736 -7.713 8.610 455 HA2 GLY 61 HA2 GLY 61 -15.845 -7.929 9.412 456 HA3 GLY 61 HA3 GLY 61 -15.081 -8.163 10.970 457 H ASP 62 H ASP 62 -15.054 -5.100 9.152 458 HA ASP 62 HA ASP 62 -15.877 -3.033 9.534 459 HB2 ASP 62 HB2 ASP 62 -18.119 -4.004 9.614 460 HB3 ASP 62 HB3 ASP 62 -17.914 -4.455 11.295 461 H LYS 63 H LYS 63 -14.361 -4.814 11.992 462 HA LYS 63 HA LYS 63 -14.380 -2.646 13.994 463 HB2 LYS 63 HB2 LYS 63 -13.339 -4.137 15.561 464 HB3 LYS 63 HB3 LYS 63 -14.609 -5.051 14.762 465 HG2 LYS 63 HG2 LYS 63 -12.945 -6.196 13.374 466 HG3 LYS 63 HG3 LYS 63 -11.650 -5.243 14.104 467 HD2 LYS 63 HD2 LYS 63 -12.121 -6.269 16.298 468 HD3 LYS 63 HD3 LYS 63 -13.460 -7.187 15.603 469 HE2 LYS 63 HE2 LYS 63 -10.539 -7.475 14.795 470 HE3 LYS 63 HE3 LYS 63 -11.404 -8.555 15.889 471 HZ1 LYS 63 HZ1 LYS 63 -12.101 -8.076 13.042 472 HZ2 LYS 63 HZ2 LYS 63 -12.900 -9.131 14.091 473 HZ3 LYS 63 HZ3 LYS 63 -11.295 -9.436 13.641 474 H THR 64 H THR 64 -12.445 -1.704 14.797 475 HA THR 64 HA THR 64 -10.329 -1.310 12.807 476 HB THR 64 HB THR 64 -10.733 0.005 15.536 477 HG1 THR 64 HG1 THR 64 -12.203 0.452 13.615 478 HG21 THR 64 HG21 THR 64 -8.740 0.690 13.332 479 HG22 THR 64 HG22 THR 64 -8.338 0.042 14.925 480 HG23 THR 64 HG23 THR 64 -9.030 1.658 14.780 481 H LEU 65 H LEU 65 -8.410 -2.331 12.878 482 HA LEU 65 HA LEU 65 -7.718 -4.136 15.064 483 HB2 LEU 65 HB2 LEU 65 -6.289 -3.581 12.440 484 HB3 LEU 65 HB3 LEU 65 -5.927 -4.896 13.551 485 HG LEU 65 HG LEU 65 -8.566 -4.585 12.048 486 HD11 LEU 65 HD11 LEU 65 -6.752 -5.035 10.494 487 HD12 LEU 65 HD12 LEU 65 -7.814 -6.434 10.637 488 HD13 LEU 65 HD13 LEU 65 -6.244 -6.432 11.449 489 HD21 LEU 65 HD21 LEU 65 -9.026 -6.904 12.793 490 HD22 LEU 65 HD22 LEU 65 -8.865 -5.803 14.156 491 HD23 LEU 65 HD23 LEU 65 -7.539 -6.896 13.748 492 H GLN 66 H GLN 66 -5.811 -4.062 16.223 493 HA GLN 66 HA GLN 66 -4.445 -1.435 16.515 494 HB2 GLN 66 HB2 GLN 66 -5.324 -3.433 18.659 495 HB3 GLN 66 HB3 GLN 66 -4.167 -2.149 18.985 496 HG2 GLN 66 HG2 GLN 66 -6.301 -1.416 19.776 497 HG3 GLN 66 HG3 GLN 66 -5.907 -0.473 18.346 498 HE21 GLN 66 HE21 GLN 66 -7.183 -3.778 18.256 499 HE22 GLN 66 HE22 GLN 66 -8.710 -3.342 17.581 500 HA PRO 67 HA PRO 67 -0.434 -3.486 16.006 501 HB2 PRO 67 HB2 PRO 67 0.940 -2.540 18.298 502 HB3 PRO 67 HB3 PRO 67 0.865 -1.734 16.727 503 HG2 PRO 67 HG2 PRO 67 -0.808 -1.274 19.186 504 HG3 PRO 67 HG3 PRO 67 -0.135 -0.082 18.053 505 HD2 PRO 67 HD2 PRO 67 -2.723 -0.727 17.933 506 HD3 PRO 67 HD3 PRO 67 -1.798 -0.505 16.428 507 H GLY 68 H GLY 68 -0.330 -5.582 16.265 508 HA2 GLY 68 HA2 GLY 68 0.404 -7.482 17.636 509 HA3 GLY 68 HA3 GLY 68 -0.627 -6.889 18.925 510 H ASP 69 H ASP 69 -2.748 -6.366 16.635 511 HA ASP 69 HA ASP 69 -4.166 -8.826 16.854 512 HB2 ASP 69 HB2 ASP 69 -4.602 -6.314 15.209 513 HB3 ASP 69 HB3 ASP 69 -5.585 -7.739 14.890 514 H GLN 70 H GLN 70 -4.094 -10.621 15.658 515 HA GLN 70 HA GLN 70 -2.317 -10.710 13.285 516 HB2 GLN 70 HB2 GLN 70 -1.743 -12.117 15.359 517 HB3 GLN 70 HB3 GLN 70 -3.150 -13.104 14.975 518 HG2 GLN 70 HG2 GLN 70 -2.151 -13.659 12.778 519 HG3 GLN 70 HG3 GLN 70 -0.748 -12.663 13.170 520 HE21 GLN 70 HE21 GLN 70 0.763 -14.295 13.143 521 HE22 GLN 70 HE22 GLN 70 0.778 -15.609 14.263 522 H VAL 71 H VAL 71 -3.172 -11.246 11.369 523 HA VAL 71 HA VAL 71 -5.960 -12.159 11.074 524 HB VAL 71 HB VAL 71 -6.431 -10.316 9.463 525 HG11 VAL 71 HG11 VAL 71 -7.142 -10.015 11.802 526 HG12 VAL 71 HG12 VAL 71 -6.696 -8.466 11.087 527 HG13 VAL 71 HG13 VAL 71 -5.587 -9.274 12.197 528 HG21 VAL 71 HG21 VAL 71 -4.131 -9.813 8.702 529 HG22 VAL 71 HG22 VAL 71 -3.719 -9.176 10.294 530 HG23 VAL 71 HG23 VAL 71 -4.908 -8.340 9.292 531 H ILE 72 H ILE 72 -6.475 -12.494 8.638 532 HA ILE 72 HA ILE 72 -4.102 -13.398 7.085 533 HB ILE 72 HB ILE 72 -7.016 -14.301 6.873 534 HG12 ILE 72 HG12 ILE 72 -5.828 -15.253 8.833 535 HG13 ILE 72 HG13 ILE 72 -6.199 -16.503 7.654 536 HG21 ILE 72 HG21 ILE 72 -4.648 -15.226 5.197 537 HG22 ILE 72 HG22 ILE 72 -6.035 -14.297 4.625 538 HG23 ILE 72 HG23 ILE 72 -6.256 -15.955 5.183 539 HD11 ILE 72 HD11 ILE 72 -3.998 -16.817 8.614 540 HD12 ILE 72 HD12 ILE 72 -3.503 -15.211 8.085 541 HD13 ILE 72 HD13 ILE 72 -3.863 -16.462 6.893 542 H LEU 73 H LEU 73 -3.822 -12.657 4.972 543 HA LEU 73 HA LEU 73 -5.149 -10.135 4.283 544 HB2 LEU 73 HB2 LEU 73 -2.796 -11.569 3.007 545 HB3 LEU 73 HB3 LEU 73 -3.355 -9.963 2.560 546 HG LEU 73 HG LEU 73 -2.240 -10.706 5.302 547 HD11 LEU 73 HD11 LEU 73 -0.893 -9.179 3.055 548 HD12 LEU 73 HD12 LEU 73 -0.492 -10.811 3.595 549 HD13 LEU 73 HD13 LEU 73 -0.241 -9.443 4.675 550 HD21 LEU 73 HD21 LEU 73 -2.216 -8.273 5.740 551 HD22 LEU 73 HD22 LEU 73 -3.850 -8.858 5.447 552 HD23 LEU 73 HD23 LEU 73 -2.992 -7.976 4.180 553 H GLU 74 H GLU 74 -6.771 -10.000 2.855 554 HA GLU 74 HA GLU 74 -7.365 -12.078 0.882 555 HB2 GLU 74 HB2 GLU 74 -8.785 -9.503 1.677 556 HB3 GLU 74 HB3 GLU 74 -9.282 -10.423 0.258 557 HG2 GLU 74 HG2 GLU 74 -9.237 -11.465 3.113 558 HG3 GLU 74 HG3 GLU 74 -10.670 -10.941 2.229 559 H ALA 75 H ALA 75 -5.738 -8.959 0.941 560 HA ALA 75 HA ALA 75 -5.688 -8.713 -1.975 561 HB1 ALA 75 HB1 ALA 75 -4.191 -7.139 0.146 562 HB2 ALA 75 HB2 ALA 75 -5.711 -6.679 -0.621 563 HB3 ALA 75 HB3 ALA 75 -4.233 -6.761 -1.582 564 H SER 76 H SER 76 -3.767 -8.745 -3.221 565 HA SER 76 HA SER 76 -1.295 -9.811 -2.018 566 HB2 SER 76 HB2 SER 76 -2.478 -11.689 -3.223 567 HB3 SER 76 HB3 SER 76 -2.415 -10.744 -4.707 568 HG SER 76 HG SER 76 -0.322 -11.125 -4.881 569 H HIS 77 H HIS 77 0.233 -8.206 -2.365 570 HA HIS 77 HA HIS 77 0.154 -6.647 -4.860 571 HB2 HIS 77 HB2 HIS 77 1.813 -6.174 -2.338 572 HB3 HIS 77 HB3 HIS 77 1.570 -5.045 -3.667 573 HD2 HIS 77 HD2 HIS 77 -1.699 -4.976 -3.822 574 HE1 HIS 77 HE1 HIS 77 -1.465 -4.097 0.313 575 HE2 HIS 77 HE2 HIS 77 -2.948 -4.057 -1.732 576 H MET 78 H MET 78 1.681 -9.356 -3.571 577 HA MET 78 HA MET 78 3.905 -9.299 -5.523 578 HB2 MET 78 HB2 MET 78 4.220 -10.151 -2.605 579 HB3 MET 78 HB3 MET 78 5.471 -10.220 -3.840 580 HG2 MET 78 HG2 MET 78 5.425 -7.741 -3.986 581 HG3 MET 78 HG3 MET 78 4.221 -7.706 -2.694 582 HE1 MET 78 HE1 MET 78 4.694 -8.617 -0.254 583 HE2 MET 78 HE2 MET 78 6.272 -9.156 0.314 584 HE3 MET 78 HE3 MET 78 5.370 -10.139 -0.837 585 H LYS 79 H LYS 79 5.004 -11.719 -5.326 586 HA LYS 79 HA LYS 79 2.971 -13.662 -5.937 587 HB2 LYS 79 HB2 LYS 79 4.826 -15.259 -6.222 588 HB3 LYS 79 HB3 LYS 79 5.181 -13.737 -7.032 589 HG2 LYS 79 HG2 LYS 79 6.643 -13.083 -5.132 590 HG3 LYS 79 HG3 LYS 79 6.309 -14.635 -4.359 591 HD2 LYS 79 HD2 LYS 79 7.340 -15.798 -6.313 592 HD3 LYS 79 HD3 LYS 79 7.716 -14.223 -7.027 593 HE2 LYS 79 HE2 LYS 79 8.788 -15.302 -4.393 594 HE3 LYS 79 HE3 LYS 79 9.688 -15.138 -5.902 595 HZ1 LYS 79 HZ1 LYS 79 9.310 -12.729 -5.768 596 HZ2 LYS 79 HZ2 LYS 79 10.204 -13.320 -4.467 597 HZ3 LYS 79 HZ3 LYS 79 8.574 -12.929 -4.259 598 H GLY 80 H GLY 80 2.007 -15.165 -4.643 599 HA2 GLY 80 HA2 GLY 80 1.350 -16.354 -2.791 600 HA3 GLY 80 HA3 GLY 80 3.033 -16.356 -2.299 601 H MET 81 H MET 81 1.409 -13.292 -2.668 602 HA MET 81 HA MET 81 1.974 -12.581 0.074 603 HB2 MET 81 HB2 MET 81 2.347 -11.097 -1.922 604 HB3 MET 81 HB3 MET 81 0.610 -10.972 -2.127 605 HG2 MET 81 HG2 MET 81 2.037 -10.042 0.370 606 HG3 MET 81 HG3 MET 81 1.766 -9.011 -1.037 607 HE1 MET 81 HE1 MET 81 0.759 -7.918 1.664 608 HE2 MET 81 HE2 MET 81 -0.888 -7.437 1.250 609 HE3 MET 81 HE3 MET 81 0.426 -7.163 0.103 610 H LYS 82 H LYS 82 -1.031 -12.901 -1.880 611 HA LYS 82 HA LYS 82 -2.898 -12.532 0.213 612 HB2 LYS 82 HB2 LYS 82 -3.542 -12.477 -2.179 613 HB3 LYS 82 HB3 LYS 82 -3.226 -14.205 -2.313 614 HG2 LYS 82 HG2 LYS 82 -5.056 -14.677 -0.732 615 HG3 LYS 82 HG3 LYS 82 -5.340 -12.946 -0.528 616 HD2 LYS 82 HD2 LYS 82 -5.949 -12.782 -2.936 617 HD3 LYS 82 HD3 LYS 82 -5.704 -14.524 -3.107 618 HE2 LYS 82 HE2 LYS 82 -7.535 -14.966 -1.541 619 HE3 LYS 82 HE3 LYS 82 -7.741 -13.235 -1.247 620 HZ1 LYS 82 HZ1 LYS 82 -8.112 -14.569 -3.871 621 HZ2 LYS 82 HZ2 LYS 82 -8.388 -12.937 -3.525 622 HZ3 LYS 82 HZ3 LYS 82 -9.356 -14.125 -2.820 623 H GLY 83 H GLY 83 -3.671 -13.845 1.790 624 HA2 GLY 83 HA2 GLY 83 -4.399 -15.897 2.721 625 HA3 GLY 83 HA3 GLY 83 -3.270 -16.774 1.696 626 H ALA 84 H ALA 84 -1.365 -14.399 2.647 627 HA ALA 84 HA ALA 84 0.135 -15.990 4.456 628 HB1 ALA 84 HB1 ALA 84 0.456 -13.041 3.774 629 HB2 ALA 84 HB2 ALA 84 1.175 -14.395 2.897 630 HB3 ALA 84 HB3 ALA 84 1.665 -14.067 4.559 631 H THR 85 H THR 85 0.508 -15.809 6.638 632 HA THR 85 HA THR 85 -1.585 -14.702 8.303 633 HB THR 85 HB THR 85 1.014 -16.066 9.149 634 HG1 THR 85 HG1 THR 85 -0.011 -17.923 8.872 635 HG21 THR 85 HG21 THR 85 -0.166 -16.539 11.275 636 HG22 THR 85 HG22 THR 85 -1.564 -15.623 10.713 637 HG23 THR 85 HG23 THR 85 -0.032 -14.798 11.014 638 H ALA 86 H ALA 86 -1.583 -12.584 8.757 639 HA ALA 86 HA ALA 86 0.919 -11.007 8.745 640 HB1 ALA 86 HB1 ALA 86 -1.936 -10.097 8.205 641 HB2 ALA 86 HB2 ALA 86 -0.694 -10.393 6.987 642 HB3 ALA 86 HB3 ALA 86 -0.492 -9.076 8.142 643 H GLU 87 H GLU 87 1.292 -9.511 10.383 644 HA GLU 87 HA GLU 87 -0.622 -9.379 12.647 645 HB2 GLU 87 HB2 GLU 87 1.407 -10.788 13.178 646 HB3 GLU 87 HB3 GLU 87 2.426 -9.384 12.874 647 HG2 GLU 87 HG2 GLU 87 1.229 -8.186 14.732 648 HG3 GLU 87 HG3 GLU 87 0.339 -9.674 15.060 649 H ILE 88 H ILE 88 -1.214 -7.341 13.157 650 HA ILE 88 HA ILE 88 -0.379 -5.070 11.675 651 HB ILE 88 HB ILE 88 -1.872 -5.069 14.344 652 HG12 ILE 88 HG12 ILE 88 -3.063 -6.498 12.699 653 HG13 ILE 88 HG13 ILE 88 -3.977 -5.036 13.041 654 HG21 ILE 88 HG21 ILE 88 -1.782 -2.947 12.155 655 HG22 ILE 88 HG22 ILE 88 -1.005 -2.840 13.737 656 HG23 ILE 88 HG23 ILE 88 -2.765 -2.871 13.623 657 HD11 ILE 88 HD11 ILE 88 -2.329 -5.581 10.574 658 HD12 ILE 88 HD12 ILE 88 -3.196 -4.079 10.909 659 HD13 ILE 88 HD13 ILE 88 -4.088 -5.585 10.698 660 H ASP 89 H ASP 89 1.681 -4.371 11.852 661 HA ASP 89 HA ASP 89 3.244 -4.318 14.262 662 HB2 ASP 89 HB2 ASP 89 4.317 -4.694 12.091 663 HB3 ASP 89 HB3 ASP 89 3.669 -3.184 11.462 664 H SER 90 H SER 90 1.288 -2.056 12.383 665 HA SER 90 HA SER 90 1.099 -0.138 14.537 666 HB2 SER 90 HB2 SER 90 3.221 0.643 13.571 667 HB3 SER 90 HB3 SER 90 2.516 0.674 11.956 668 HG SER 90 HG SER 90 2.380 2.731 12.636 669 H ALA 91 H ALA 91 -0.674 1.284 14.279 670 HA ALA 91 HA ALA 91 -2.410 0.861 11.900 671 HB1 ALA 91 HB1 ALA 91 -4.347 1.262 13.372 672 HB2 ALA 91 HB2 ALA 91 -3.269 1.465 14.757 673 HB3 ALA 91 HB3 ALA 91 -3.383 -0.099 13.948 674 H GLU 92 H GLU 92 -3.101 2.634 10.801 675 HA GLU 92 HA GLU 92 -2.636 5.370 11.798 676 HB2 GLU 92 HB2 GLU 92 -0.509 4.876 10.743 677 HB3 GLU 92 HB3 GLU 92 -1.292 4.126 9.364 678 HG2 GLU 92 HG2 GLU 92 -0.415 6.234 8.647 679 HG3 GLU 92 HG3 GLU 92 -2.167 6.362 8.675 680 H LYS 93 H LYS 93 -4.414 6.589 11.286 681 HA LYS 93 HA LYS 93 -6.207 5.755 9.095 682 HB2 LYS 93 HB2 LYS 93 -6.605 7.930 11.201 683 HB3 LYS 93 HB3 LYS 93 -7.762 7.529 9.940 684 HG2 LYS 93 HG2 LYS 93 -8.600 6.448 11.850 685 HG3 LYS 93 HG3 LYS 93 -7.816 5.168 10.933 686 HD2 LYS 93 HD2 LYS 93 -7.189 4.767 13.184 687 HD3 LYS 93 HD3 LYS 93 -5.767 5.523 12.469 688 HE2 LYS 93 HE2 LYS 93 -7.849 6.974 14.143 689 HE3 LYS 93 HE3 LYS 93 -6.316 6.370 14.760 690 HZ1 LYS 93 HZ1 LYS 93 -6.202 8.712 14.288 691 HZ2 LYS 93 HZ2 LYS 93 -6.658 8.464 12.686 692 HZ3 LYS 93 HZ3 LYS 93 -5.176 7.877 13.240 693 H THR 94 H THR 94 -5.336 6.379 7.189 694 HA THR 94 HA THR 94 -4.581 9.203 6.745 695 HB THR 94 HB THR 94 -2.454 8.077 7.148 696 HG1 THR 94 HG1 THR 94 -1.962 9.425 5.569 697 HG21 THR 94 HG21 THR 94 -3.219 6.109 4.955 698 HG22 THR 94 HG22 THR 94 -3.115 5.737 6.678 699 HG23 THR 94 HG23 THR 94 -1.660 6.184 5.784 700 H THR 95 H THR 95 -4.662 9.860 4.508 701 HA THR 95 HA THR 95 -6.654 8.438 2.926 702 HB THR 95 HB THR 95 -5.169 11.012 2.203 703 HG1 THR 95 HG1 THR 95 -7.581 11.663 2.787 704 HG21 THR 95 HG21 THR 95 -7.041 11.367 0.610 705 HG22 THR 95 HG22 THR 95 -7.729 9.806 1.065 706 HG23 THR 95 HG23 THR 95 -6.172 9.874 0.234 707 H VAL 96 H VAL 96 -6.112 6.999 1.383 708 HA VAL 96 HA VAL 96 -3.306 6.758 0.500 709 HB VAL 96 HB VAL 96 -3.834 4.293 0.111 710 HG11 VAL 96 HG11 VAL 96 -3.951 5.249 3.003 711 HG12 VAL 96 HG12 VAL 96 -2.488 5.018 2.041 712 HG13 VAL 96 HG13 VAL 96 -3.488 3.629 2.467 713 HG21 VAL 96 HG21 VAL 96 -6.310 4.414 0.125 714 HG22 VAL 96 HG22 VAL 96 -6.292 4.865 1.831 715 HG23 VAL 96 HG23 VAL 96 -5.729 3.267 1.335 716 H TYR 97 H TYR 97 -2.968 6.608 -1.648 717 HA TYR 97 HA TYR 97 -5.197 7.442 -3.375 718 HB2 TYR 97 HB2 TYR 97 -2.234 8.175 -3.544 719 HB3 TYR 97 HB3 TYR 97 -3.494 8.746 -4.633 720 HD1 TYR 97 HD2 TYR 97 -5.201 10.388 -3.836 721 HD2 TYR 97 HD1 TYR 97 -1.969 9.168 -1.304 722 HE1 TYR 97 HE2 TYR 97 -5.639 12.288 -2.351 723 HE2 TYR 97 HE1 TYR 97 -2.427 11.075 0.183 724 HH TYR 97 HH TYR 97 -3.485 13.163 0.218 725 H MET 98 H MET 98 -5.450 6.556 -5.314 726 HA MET 98 HA MET 98 -3.731 4.404 -6.316 727 HB2 MET 98 HB2 MET 98 -6.293 4.320 -6.386 728 HB3 MET 98 HB3 MET 98 -6.240 5.646 -7.532 729 HG2 MET 98 HG2 MET 98 -4.715 4.059 -8.930 730 HG3 MET 98 HG3 MET 98 -5.406 2.791 -7.915 731 HE1 MET 98 HE1 MET 98 -8.285 2.871 -7.564 732 HE2 MET 98 HE2 MET 98 -9.319 3.629 -8.775 733 HE3 MET 98 HE3 MET 98 -8.390 4.630 -7.663 734 H VAL 99 H VAL 99 -2.031 4.993 -7.661 735 HA VAL 99 HA VAL 99 -2.144 7.538 -9.178 736 HB VAL 99 HB VAL 99 0.362 7.712 -8.877 737 HG11 VAL 99 HG11 VAL 99 -1.263 7.828 -6.300 738 HG12 VAL 99 HG12 VAL 99 -1.133 9.105 -7.512 739 HG13 VAL 99 HG13 VAL 99 0.286 8.633 -6.576 740 HG21 VAL 99 HG21 VAL 99 -0.011 5.511 -6.786 741 HG22 VAL 99 HG22 VAL 99 1.472 6.432 -7.049 742 HG23 VAL 99 HG23 VAL 99 0.871 5.354 -8.309 743 H ASP 100 H ASP 100 -1.118 7.602 -11.180 744 HA ASP 100 HA ASP 100 -0.298 5.040 -12.437 745 HB2 ASP 100 HB2 ASP 100 -2.327 5.759 -13.488 746 HB3 ASP 100 HB3 ASP 100 -1.857 7.455 -13.454 747 H TYR 101 H TYR 101 1.907 5.013 -12.741 748 HA TYR 101 HA TYR 101 3.346 7.540 -13.329 749 HB2 TYR 101 HB2 TYR 101 5.119 7.032 -11.782 750 HB3 TYR 101 HB3 TYR 101 3.611 6.889 -10.898 751 HD1 TYR 101 HD1 TYR 101 2.822 4.624 -10.126 752 HD2 TYR 101 HD2 TYR 101 6.567 5.077 -12.138 753 HE1 TYR 101 HE1 TYR 101 3.519 2.393 -9.366 754 HE2 TYR 101 HE2 TYR 101 7.250 2.845 -11.380 755 HH TYR 101 HH TYR 101 5.079 0.616 -10.016 756 H THR 102 H THR 102 5.596 7.167 -14.150 757 HA THR 102 HA THR 102 5.867 4.687 -15.775 758 HB THR 102 HB THR 102 7.133 7.420 -16.298 759 HG1 THR 102 HG1 THR 102 4.753 7.011 -16.731 760 HG21 THR 102 HG21 THR 102 8.576 5.572 -17.105 761 HG22 THR 102 HG22 THR 102 7.863 6.454 -18.458 762 HG23 THR 102 HG23 THR 102 7.206 4.885 -17.986 763 H SER 103 H SER 103 7.537 3.374 -15.286 764 HA SER 103 HA SER 103 9.001 3.661 -12.883 765 HB2 SER 103 HB2 SER 103 8.399 1.440 -13.636 766 HB3 SER 103 HB3 SER 103 9.285 1.648 -15.146 767 HG SER 103 HG SER 103 10.358 0.407 -13.431 768 H THR 104 H THR 104 10.863 4.642 -12.472 769 HA THR 104 HA THR 104 12.518 5.902 -14.423 770 HB THR 104 HB THR 104 14.001 6.465 -12.464 771 HG1 THR 104 HG1 THR 104 12.968 5.835 -10.346 772 HG21 THR 104 HG21 THR 104 11.034 6.938 -11.961 773 HG22 THR 104 HG22 THR 104 12.071 7.926 -12.995 774 HG23 THR 104 HG23 THR 104 12.362 7.862 -11.254 775 H THR 105 H THR 105 12.795 2.844 -12.624 776 HA THR 105 HA THR 105 15.569 2.409 -13.328 777 HB THR 105 HB THR 105 14.748 1.588 -11.161 778 HG1 THR 105 HG1 THR 105 15.357 -0.836 -11.808 779 HG21 THR 105 HG21 THR 105 12.437 0.941 -11.819 780 HG22 THR 105 HG22 THR 105 13.266 -0.366 -10.974 781 HG23 THR 105 HG23 THR 105 13.084 -0.425 -12.729 782 H SER 106 H SER 106 12.451 1.157 -14.538 783 HA SER 106 HA SER 106 13.897 -0.618 -16.455 784 HB2 SER 106 HB2 SER 106 11.881 -2.063 -16.436 785 HB3 SER 106 HB3 SER 106 12.544 -1.866 -14.814 786 HG SER 106 HG SER 106 10.232 -1.645 -14.965 787 H GLY 107 H GLY 107 11.570 1.976 -16.177 788 HA2 GLY 107 HA2 GLY 107 10.823 3.405 -17.863 789 HA3 GLY 107 HA3 GLY 107 11.465 2.313 -19.080 790 H GLU 108 H GLU 108 9.532 0.638 -16.834 791 HA GLU 108 HA GLU 108 7.488 0.167 -18.838 792 HB2 GLU 108 HB2 GLU 108 6.628 -1.568 -17.384 793 HB3 GLU 108 HB3 GLU 108 8.383 -1.681 -17.423 794 HG2 GLU 108 HG2 GLU 108 8.492 -0.560 -15.218 795 HG3 GLU 108 HG3 GLU 108 6.731 -0.485 -15.179 796 H LYS 109 H LYS 109 5.434 0.935 -18.917 797 HA LYS 109 HA LYS 109 4.706 3.191 -17.220 798 HB2 LYS 109 HB2 LYS 109 4.457 3.048 -19.789 799 HB3 LYS 109 HB3 LYS 109 3.087 1.990 -19.513 800 HG2 LYS 109 HG2 LYS 109 3.207 4.800 -18.378 801 HG3 LYS 109 HG3 LYS 109 2.629 4.470 -20.011 802 HD2 LYS 109 HD2 LYS 109 0.872 2.958 -19.009 803 HD3 LYS 109 HD3 LYS 109 1.406 3.472 -17.405 804 HE2 LYS 109 HE2 LYS 109 0.305 5.305 -19.569 805 HE3 LYS 109 HE3 LYS 109 -0.582 4.727 -18.156 806 HZ1 LYS 109 HZ1 LYS 109 1.849 6.431 -18.079 807 HZ2 LYS 109 HZ2 LYS 109 0.986 5.869 -16.735 808 HZ3 LYS 109 HZ3 LYS 109 0.262 6.949 -17.806 809 H VAL 110 H VAL 110 3.751 2.799 -15.318 810 HA VAL 110 HA VAL 110 2.104 0.369 -14.874 811 HB VAL 110 HB VAL 110 3.538 2.099 -12.801 812 HG11 VAL 110 HG11 VAL 110 1.536 1.000 -11.849 813 HG12 VAL 110 HG12 VAL 110 3.007 0.288 -11.186 814 HG13 VAL 110 HG13 VAL 110 2.101 -0.570 -12.434 815 HG21 VAL 110 HG21 VAL 110 5.171 0.887 -14.198 816 HG22 VAL 110 HG22 VAL 110 4.341 -0.638 -13.873 817 HG23 VAL 110 HG23 VAL 110 5.143 0.226 -12.558 818 H LYS 111 H LYS 111 -0.050 0.637 -14.473 819 HA LYS 111 HA LYS 111 -1.077 3.295 -13.636 820 HB2 LYS 111 HB2 LYS 111 -3.189 2.740 -14.913 821 HB3 LYS 111 HB3 LYS 111 -1.769 3.032 -15.900 822 HG2 LYS 111 HG2 LYS 111 -2.744 1.219 -16.977 823 HG3 LYS 111 HG3 LYS 111 -1.528 0.442 -15.967 824 HD2 LYS 111 HD2 LYS 111 -3.329 -0.093 -14.295 825 HD3 LYS 111 HD3 LYS 111 -4.517 0.610 -15.399 826 HE2 LYS 111 HE2 LYS 111 -2.757 -1.805 -15.958 827 HE3 LYS 111 HE3 LYS 111 -4.486 -1.831 -15.606 828 HZ1 LYS 111 HZ1 LYS 111 -4.872 -0.575 -17.634 829 HZ2 LYS 111 HZ2 LYS 111 -4.067 -2.022 -17.968 830 HZ3 LYS 111 HZ3 LYS 111 -3.216 -0.562 -17.968 831 H ASN 112 H ASN 112 -3.006 3.319 -12.412 832 HA ASN 112 HA ASN 112 -4.294 2.832 -10.589 833 HB2 ASN 112 HB2 ASN 112 -5.171 1.228 -12.434 834 HB3 ASN 112 HB3 ASN 112 -4.337 -0.052 -11.572 835 HD21 ASN 112 HD21 ASN 112 -7.239 0.631 -12.143 836 HD22 ASN 112 HD22 ASN 112 -8.024 0.484 -10.617 837 H HIS 113 H HIS 113 -1.407 2.665 -10.220 838 HA HIS 113 HA HIS 113 -0.730 0.448 -8.533 839 HB2 HIS 113 HB2 HIS 113 0.989 1.657 -9.855 840 HB3 HIS 113 HB3 HIS 113 0.726 3.105 -8.884 841 HD2 HIS 113 HD2 HIS 113 2.016 3.144 -6.432 842 HE1 HIS 113 HE1 HIS 113 3.614 -0.756 -6.704 843 HE2 HIS 113 HE2 HIS 113 3.356 1.282 -5.239 844 H LYS 114 H LYS 114 -0.674 0.317 -6.343 845 HA LYS 114 HA LYS 114 -1.311 2.462 -4.525 846 HB2 LYS 114 HB2 LYS 114 -3.585 1.607 -3.895 847 HB3 LYS 114 HB3 LYS 114 -3.510 2.229 -5.539 848 HG2 LYS 114 HG2 LYS 114 -3.258 -0.163 -6.333 849 HG3 LYS 114 HG3 LYS 114 -3.587 -0.677 -4.673 850 HD2 LYS 114 HD2 LYS 114 -5.789 0.544 -4.812 851 HD3 LYS 114 HD3 LYS 114 -5.447 0.879 -6.515 852 HE2 LYS 114 HE2 LYS 114 -5.297 -1.622 -6.880 853 HE3 LYS 114 HE3 LYS 114 -5.849 -1.833 -5.215 854 HZ1 LYS 114 HZ1 LYS 114 -7.351 -0.390 -7.316 855 HZ2 LYS 114 HZ2 LYS 114 -7.881 -0.740 -5.746 856 HZ3 LYS 114 HZ3 LYS 114 -7.627 -1.993 -6.854 857 H TRP 115 H TRP 115 -0.638 0.183 -1.798 858 HA TRP 115 HA TRP 115 -2.037 2.661 -2.634 859 HB2 TRP 115 HB2 TRP 115 -1.769 1.472 0.164 860 HB3 TRP 115 HB3 TRP 115 -2.705 2.902 -0.268 861 HD1 TRP 115 HD1 TRP 115 -2.976 -0.828 -0.039 862 HE1 TRP 115 HE1 TRP 115 -5.254 -1.592 -0.890 863 HE3 TRP 115 HE3 TRP 115 -4.616 3.549 -2.155 864 HZ2 TRP 115 HZ2 TRP 115 -7.451 -0.557 -2.258 865 HZ3 TRP 115 HZ3 TRP 115 -6.833 3.560 -3.223 866 HH2 TRP 115 HH2 TRP 115 -8.219 1.539 -3.280 867 H VAL 116 H VAL 116 -1.168 4.597 -2.356 868 HA VAL 116 HA VAL 116 1.377 4.956 -0.844 869 HB VAL 116 HB VAL 116 1.933 6.853 -2.396 870 HG11 VAL 116 HG11 VAL 116 1.593 4.170 -3.804 871 HG12 VAL 116 HG12 VAL 116 2.959 4.647 -2.794 872 HG13 VAL 116 HG13 VAL 116 2.668 5.472 -4.327 873 HG21 VAL 116 HG21 VAL 116 0.728 7.106 -4.556 874 HG22 VAL 116 HG22 VAL 116 -0.346 7.406 -3.188 875 HG23 VAL 116 HG23 VAL 116 -0.433 5.871 -4.055 876 H THR 117 H THR 117 1.502 6.854 0.475 877 HA THR 117 HA THR 117 -1.144 8.010 1.153 878 HB THR 117 HB THR 117 -0.120 8.639 3.347 879 HG1 THR 117 HG1 THR 117 2.105 7.060 2.536 880 HG21 THR 117 HG21 THR 117 0.165 5.697 2.639 881 HG22 THR 117 HG22 THR 117 -1.329 6.498 3.131 882 HG23 THR 117 HG23 THR 117 0.010 6.351 4.270 883 H GLU 118 H GLU 118 -0.795 10.242 2.347 884 HA GLU 118 HA GLU 118 -0.525 12.165 0.359 885 HB2 GLU 118 HB2 GLU 118 -1.884 12.423 2.419 886 HB3 GLU 118 HB3 GLU 118 -0.418 12.545 3.380 887 HG2 GLU 118 HG2 GLU 118 -1.311 14.752 3.099 888 HG3 GLU 118 HG3 GLU 118 0.163 14.644 2.143 889 H ASP 119 H ASP 119 1.746 11.461 3.043 890 HA ASP 119 HA ASP 119 3.700 13.422 2.384 891 HB2 ASP 119 HB2 ASP 119 4.040 10.861 3.996 892 HB3 ASP 119 HB3 ASP 119 5.168 12.215 3.982 893 H GLU 120 H GLU 120 3.048 10.406 0.869 894 HA GLU 120 HA GLU 120 5.824 9.904 0.018 895 HB2 GLU 120 HB2 GLU 120 3.291 8.268 -0.456 896 HB3 GLU 120 HB3 GLU 120 4.933 7.778 -0.885 897 HG2 GLU 120 HG2 GLU 120 5.535 7.953 1.561 898 HG3 GLU 120 HG3 GLU 120 3.826 8.209 1.906 899 H LEU 121 H LEU 121 3.217 11.709 -1.027 900 HA LEU 121 HA LEU 121 4.093 11.712 -3.866 901 HB2 LEU 121 HB2 LEU 121 1.416 12.630 -2.717 902 HB3 LEU 121 HB3 LEU 121 1.863 12.619 -4.418 903 HG LEU 121 HG LEU 121 1.415 10.168 -2.662 904 HD11 LEU 121 HD11 LEU 121 -0.665 11.309 -3.263 905 HD12 LEU 121 HD12 LEU 121 -0.542 9.750 -4.073 906 HD13 LEU 121 HD13 LEU 121 -0.235 11.239 -4.976 907 HD21 LEU 121 HD21 LEU 121 2.170 10.284 -5.604 908 HD22 LEU 121 HD22 LEU 121 1.719 8.828 -4.712 909 HD23 LEU 121 HD23 LEU 121 3.185 9.701 -4.281 910 H SER 122 H SER 122 4.172 13.873 -4.865 911 HA SER 122 HA SER 122 3.905 16.251 -3.145 912 HB2 SER 122 HB2 SER 122 6.439 15.666 -4.769 913 HB3 SER 122 HB3 SER 122 6.095 17.171 -3.915 914 HG SER 122 HG SER 122 5.817 15.393 -2.080 915 H ALA 123 H ALA 123 2.671 17.718 -4.271 916 HA ALA 123 HA ALA 123 1.696 17.163 -6.872 917 HB1 ALA 123 HB1 ALA 123 1.483 19.756 -5.303 918 HB2 ALA 123 HB2 ALA 123 0.385 18.381 -5.181 919 HB3 ALA 123 HB3 ALA 123 0.481 19.297 -6.686 920 H LYS 124 H LYS 124 2.150 18.047 -8.924 921 HA LYS 124 HA LYS 124 4.802 18.920 -9.441 922 HB2 LYS 124 HB2 LYS 124 3.534 17.603 -11.085 923 HB3 LYS 124 HB3 LYS 124 2.364 18.903 -11.270 924 HG2 LYS 124 HG2 LYS 124 3.924 18.828 -13.166 925 HG3 LYS 124 HG3 LYS 124 4.072 20.344 -12.274 926 HD2 LYS 124 HD2 LYS 124 6.101 19.417 -11.115 927 HD3 LYS 124 HD3 LYS 124 5.968 17.957 -12.103 928 HE2 LYS 124 HE2 LYS 124 6.332 19.278 -14.138 929 HE3 LYS 124 HE3 LYS 124 6.369 20.767 -13.193 930 HZ1 LYS 124 HZ1 LYS 124 8.312 18.538 -13.031 931 HZ2 LYS 124 HZ2 LYS 124 8.344 19.923 -12.060 932 HZ3 LYS 124 HZ3 LYS 124 8.572 20.054 -13.730 933 H LEU 125 H LEU 125 5.192 20.744 -8.276 934 HA LEU 125 HA LEU 125 4.171 23.333 -9.217 935 HB2 LEU 125 HB2 LEU 125 4.056 22.365 -6.326 936 HB3 LEU 125 HB3 LEU 125 3.953 24.064 -6.760 937 HG LEU 125 HG LEU 125 1.944 21.939 -7.629 938 HD11 LEU 125 HD11 LEU 125 1.818 22.257 -5.223 939 HD12 LEU 125 HD12 LEU 125 0.406 22.966 -6.001 940 HD13 LEU 125 HD13 LEU 125 1.708 24.009 -5.421 941 HD21 LEU 125 HD21 LEU 125 1.850 24.968 -7.929 942 HD22 LEU 125 HD22 LEU 125 0.545 23.853 -8.347 943 HD23 LEU 125 HD23 LEU 125 2.069 23.792 -9.229 944 H GLU 126 H GLU 126 5.702 24.946 -9.078 945 HA GLU 126 HA GLU 126 8.458 24.298 -8.487 946 HB2 GLU 126 HB2 GLU 126 7.159 26.960 -9.205 947 HB3 GLU 126 HB3 GLU 126 8.897 26.662 -9.148 948 HG2 GLU 126 HG2 GLU 126 8.678 25.031 -10.985 949 HG3 GLU 126 HG3 GLU 126 6.938 25.321 -11.041 950 H HIS 127 H HIS 127 5.818 25.462 -6.653 951 HA HIS 127 HA HIS 127 6.843 27.143 -4.719 952 HB2 HIS 127 HB2 HIS 127 4.437 26.449 -4.972 953 HB3 HIS 127 HB3 HIS 127 4.837 24.891 -4.257 954 HD1 HIS 127 HD1 HIS 127 4.785 28.572 -3.352 955 HD2 HIS 127 HD2 HIS 127 4.754 24.859 -1.491 956 HE1 HIS 127 HE1 HIS 127 4.357 29.043 -0.933 957 HE2 HIS 127 HE2 HIS 127 4.177 26.782 0.143 958 H HIS 128 H HIS 128 7.225 23.637 -4.945 959 HA HIS 128 HA HIS 128 9.322 23.763 -2.859 960 HB2 HIS 128 HB2 HIS 128 8.911 21.310 -2.459 961 HB3 HIS 128 HB3 HIS 128 7.578 22.352 -1.982 962 HD1 HIS 128 HD1 HIS 128 8.548 19.915 -4.713 963 HD2 HIS 128 HD2 HIS 128 5.146 21.736 -3.166 964 HE1 HIS 128 HE1 HIS 128 6.616 18.769 -5.817 965 HE2 HIS 128 HE2 HIS 128 4.572 19.898 -4.893 966 H HIS 129 H HIS 129 11.082 24.118 -4.081 967 HA HIS 129 HA HIS 129 11.783 22.947 -6.562 968 HB2 HIS 129 HB2 HIS 129 12.977 24.772 -4.684 969 HB3 HIS 129 HB3 HIS 129 14.144 23.479 -4.871 970 HD1 HIS 129 HD1 HIS 129 12.163 25.860 -7.068 971 HD2 HIS 129 HD2 HIS 129 15.802 23.862 -6.986 972 HE1 HIS 129 HE1 HIS 129 13.433 26.696 -9.064 973 HE2 HIS 129 HE2 HIS 129 15.595 25.428 -9.036 974 H HIS 130 H HIS 130 12.358 20.820 -7.008 975 HA HIS 130 HA HIS 130 12.125 18.832 -5.010 976 HB2 HIS 130 HB2 HIS 130 12.686 17.173 -6.749 977 HB3 HIS 130 HB3 HIS 130 11.519 18.349 -7.332 978 HD1 HIS 130 HD1 HIS 130 15.157 17.398 -7.700 979 HD2 HIS 130 HD2 HIS 130 12.279 19.692 -9.627 980 HE1 HIS 130 HE1 HIS 130 16.173 18.042 -9.894 981 HE2 HIS 130 HE2 HIS 130 14.332 19.230 -11.125 982 H HIS 131 H HIS 131 14.906 20.615 -5.970 983 HA HIS 131 HA HIS 131 16.366 19.560 -3.712 984 HB2 HIS 131 HB2 HIS 131 17.006 17.984 -5.597 985 HB3 HIS 131 HB3 HIS 131 17.681 19.358 -6.467 986 HD1 HIS 131 HD1 HIS 131 18.107 17.667 -3.088 987 HD2 HIS 131 HD2 HIS 131 20.348 19.698 -5.936 988 HE1 HIS 131 HE1 HIS 131 20.460 17.619 -2.244 989 HE2 HIS 131 HE2 HIS 131 21.803 18.846 -3.971 990 H HIS 132 H HIS 132 17.165 21.349 -2.721 991 HA HIS 132 HA HIS 132 18.402 23.527 -4.202 992 HB2 HIS 132 HB2 HIS 132 16.939 25.312 -3.214 993 HB3 HIS 132 HB3 HIS 132 16.109 24.284 -4.362 994 HD1 HIS 132 HD1 HIS 132 15.332 25.974 -1.463 995 HD2 HIS 132 HD2 HIS 132 14.806 22.006 -2.558 996 HE1 HIS 132 HE1 HIS 132 13.443 25.134 -0.045 997 HE2 HIS 132 HE2 HIS 132 13.020 22.809 -0.881 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -3.329 15.496 -1.398 2 H2 MET 1 H2 MET 1 -4.731 14.574 -1.533 3 H3 MET 1 H3 MET 1 -4.835 16.255 -1.467 4 HA MET 1 HA MET 1 -3.695 16.464 -3.563 5 HB2 MET 1 HB2 MET 1 -3.867 13.420 -3.710 6 HB3 MET 1 HB3 MET 1 -3.193 14.488 -4.936 7 HG2 MET 1 HG2 MET 1 -2.054 14.006 -2.171 8 HG3 MET 1 HG3 MET 1 -1.427 13.364 -3.693 9 HE1 MET 1 HE1 MET 1 0.999 14.342 -3.017 10 HE2 MET 1 HE2 MET 1 0.328 15.005 -1.525 11 HE3 MET 1 HE3 MET 1 1.277 16.033 -2.602 12 H LYS 2 H LYS 2 -4.891 16.531 -5.521 13 HA LYS 2 HA LYS 2 -7.782 15.965 -5.264 14 HB2 LYS 2 HB2 LYS 2 -7.108 18.321 -5.667 15 HB3 LYS 2 HB3 LYS 2 -6.261 17.843 -7.133 16 HG2 LYS 2 HG2 LYS 2 -8.434 17.156 -8.139 17 HG3 LYS 2 HG3 LYS 2 -9.260 17.685 -6.666 18 HD2 LYS 2 HD2 LYS 2 -8.435 20.000 -7.052 19 HD3 LYS 2 HD3 LYS 2 -7.637 19.463 -8.534 20 HE2 LYS 2 HE2 LYS 2 -9.838 18.856 -9.487 21 HE3 LYS 2 HE3 LYS 2 -10.631 19.400 -8.007 22 HZ1 LYS 2 HZ1 LYS 2 -9.827 21.629 -8.439 23 HZ2 LYS 2 HZ2 LYS 2 -10.728 21.059 -9.751 24 HZ3 LYS 2 HZ3 LYS 2 -9.041 21.107 -9.841 25 H VAL 3 H VAL 3 -8.843 14.640 -6.774 26 HA VAL 3 HA VAL 3 -7.371 12.879 -8.455 27 HB VAL 3 HB VAL 3 -10.371 13.431 -8.604 28 HG11 VAL 3 HG11 VAL 3 -9.537 12.177 -10.562 29 HG12 VAL 3 HG12 VAL 3 -10.524 11.130 -9.541 30 HG13 VAL 3 HG13 VAL 3 -8.764 10.999 -9.498 31 HG21 VAL 3 HG21 VAL 3 -9.737 12.830 -6.300 32 HG22 VAL 3 HG22 VAL 3 -8.883 11.402 -6.890 33 HG23 VAL 3 HG23 VAL 3 -10.636 11.509 -7.054 34 H GLY 4 H GLY 4 -6.875 12.954 -10.575 35 HA2 GLY 4 HA2 GLY 4 -6.836 13.711 -12.815 36 HA3 GLY 4 HA3 GLY 4 -7.771 15.124 -12.350 37 H SER 5 H SER 5 -5.458 14.962 -10.017 38 HA SER 5 HA SER 5 -3.773 16.990 -11.253 39 HB2 SER 5 HB2 SER 5 -3.724 15.797 -8.451 40 HB3 SER 5 HB3 SER 5 -2.697 17.127 -8.992 41 HG SER 5 HG SER 5 -5.304 17.630 -9.558 42 H GLN 6 H GLN 6 -1.550 16.930 -11.497 43 HA GLN 6 HA GLN 6 -0.233 14.317 -11.757 44 HB2 GLN 6 HB2 GLN 6 0.647 17.119 -12.582 45 HB3 GLN 6 HB3 GLN 6 1.658 15.691 -12.768 46 HG2 GLN 6 HG2 GLN 6 -1.047 16.048 -14.098 47 HG3 GLN 6 HG3 GLN 6 0.494 16.433 -14.854 48 HE21 GLN 6 HE21 GLN 6 0.195 14.941 -16.515 49 HE22 GLN 6 HE22 GLN 6 0.261 13.237 -16.269 50 H VAL 7 H VAL 7 0.957 13.548 -10.142 51 HA VAL 7 HA VAL 7 2.329 15.391 -8.256 52 HB VAL 7 HB VAL 7 2.142 13.639 -6.489 53 HG11 VAL 7 HG11 VAL 7 -0.264 13.902 -5.959 54 HG12 VAL 7 HG12 VAL 7 -0.570 14.461 -7.605 55 HG13 VAL 7 HG13 VAL 7 0.443 15.418 -6.523 56 HG21 VAL 7 HG21 VAL 7 0.370 12.129 -8.461 57 HG22 VAL 7 HG22 VAL 7 0.606 11.696 -6.766 58 HG23 VAL 7 HG23 VAL 7 1.961 11.619 -7.891 59 H ILE 8 H ILE 8 4.432 14.793 -7.640 60 HA ILE 8 HA ILE 8 5.771 12.647 -9.165 61 HB ILE 8 HB ILE 8 7.065 14.970 -7.655 62 HG12 ILE 8 HG12 ILE 8 5.786 15.864 -9.561 63 HG13 ILE 8 HG13 ILE 8 7.509 16.000 -9.876 64 HG21 ILE 8 HG21 ILE 8 8.566 13.038 -7.849 65 HG22 ILE 8 HG22 ILE 8 9.135 14.353 -8.877 66 HG23 ILE 8 HG23 ILE 8 8.302 12.971 -9.594 67 HD11 ILE 8 HD11 ILE 8 6.308 15.353 -11.863 68 HD12 ILE 8 HD12 ILE 8 5.641 13.940 -11.051 69 HD13 ILE 8 HD13 ILE 8 7.378 14.044 -11.360 70 H ILE 9 H ILE 9 6.718 10.975 -8.054 71 HA ILE 9 HA ILE 9 5.802 10.502 -5.352 72 HB ILE 9 HB ILE 9 7.644 8.778 -7.068 73 HG12 ILE 9 HG12 ILE 9 4.590 8.716 -6.857 74 HG13 ILE 9 HG13 ILE 9 5.512 9.229 -8.265 75 HG21 ILE 9 HG21 ILE 9 6.884 6.905 -5.644 76 HG22 ILE 9 HG22 ILE 9 5.931 8.025 -4.667 77 HG23 ILE 9 HG23 ILE 9 7.693 8.148 -4.688 78 HD11 ILE 9 HD11 ILE 9 5.433 6.433 -7.126 79 HD12 ILE 9 HD12 ILE 9 6.351 6.946 -8.545 80 HD13 ILE 9 HD13 ILE 9 4.589 7.010 -8.562 81 H ASN 10 H ASN 10 6.825 11.447 -3.681 82 HA ASN 10 HA ASN 10 9.558 12.461 -3.891 83 HB2 ASN 10 HB2 ASN 10 7.687 13.865 -2.970 84 HB3 ASN 10 HB3 ASN 10 7.515 12.732 -1.632 85 HD21 ASN 10 HD21 ASN 10 7.959 14.346 -0.111 86 HD22 ASN 10 HD22 ASN 10 9.542 14.995 0.119 87 H THR 11 H THR 11 7.757 10.075 -2.036 88 HA THR 11 HA THR 11 10.273 8.726 -1.247 89 HB THR 11 HB THR 11 7.782 9.178 0.462 90 HG1 THR 11 HG1 THR 11 9.349 9.978 1.930 91 HG21 THR 11 HG21 THR 11 10.038 7.225 1.064 92 HG22 THR 11 HG22 THR 11 8.370 6.781 0.686 93 HG23 THR 11 HG23 THR 11 8.734 7.668 2.169 94 H SER 12 H SER 12 10.206 6.473 -1.520 95 HA SER 12 HA SER 12 7.752 5.241 -2.561 96 HB2 SER 12 HB2 SER 12 8.844 4.440 -4.595 97 HB3 SER 12 HB3 SER 12 8.964 6.197 -4.525 98 HG SER 12 HG SER 12 11.098 6.004 -3.906 99 H HIS 13 H HIS 13 7.847 2.997 -2.784 100 HA HIS 13 HA HIS 13 9.417 1.617 -0.740 101 HB2 HIS 13 HB2 HIS 13 7.115 0.570 -2.466 102 HB3 HIS 13 HB3 HIS 13 7.773 -0.190 -1.021 103 HD2 HIS 13 HD2 HIS 13 6.215 3.448 -1.599 104 HE1 HIS 13 HE1 HIS 13 4.539 1.671 1.840 105 HE2 HIS 13 HE2 HIS 13 4.407 3.625 0.241 106 H MET 14 H MET 14 9.428 2.074 -4.142 107 HA MET 14 HA MET 14 11.431 -0.069 -4.592 108 HB2 MET 14 HB2 MET 14 9.247 0.744 -6.573 109 HB3 MET 14 HB3 MET 14 10.474 -0.487 -6.835 110 HG2 MET 14 HG2 MET 14 9.449 -1.933 -5.183 111 HG3 MET 14 HG3 MET 14 8.312 -0.661 -4.719 112 HE1 MET 14 HE1 MET 14 5.882 -3.150 -6.532 113 HE2 MET 14 HE2 MET 14 6.198 -2.228 -5.061 114 HE3 MET 14 HE3 MET 14 7.234 -3.590 -5.491 115 H LYS 15 H LYS 15 13.114 0.498 -6.041 116 HA LYS 15 HA LYS 15 14.107 3.085 -5.868 117 HB2 LYS 15 HB2 LYS 15 15.865 2.375 -7.493 118 HB3 LYS 15 HB3 LYS 15 15.590 1.201 -6.212 119 HG2 LYS 15 HG2 LYS 15 14.399 -0.281 -7.703 120 HG3 LYS 15 HG3 LYS 15 14.363 0.936 -8.981 121 HD2 LYS 15 HD2 LYS 15 16.058 -0.780 -9.469 122 HD3 LYS 15 HD3 LYS 15 16.825 0.787 -9.206 123 HE2 LYS 15 HE2 LYS 15 18.090 -1.008 -8.108 124 HE3 LYS 15 HE3 LYS 15 17.433 0.102 -6.909 125 HZ1 LYS 15 HZ1 LYS 15 17.179 -2.226 -6.274 126 HZ2 LYS 15 HZ2 LYS 15 16.236 -2.515 -7.645 127 HZ3 LYS 15 HZ3 LYS 15 15.679 -1.466 -6.445 128 H GLY 16 H GLY 16 12.357 1.667 -8.613 129 HA2 GLY 16 HA2 GLY 16 12.885 3.859 -10.432 130 HA3 GLY 16 HA3 GLY 16 11.867 2.464 -10.733 131 H MET 17 H MET 17 10.551 3.392 -7.977 132 HA MET 17 HA MET 17 8.452 4.958 -9.272 133 HB2 MET 17 HB2 MET 17 8.604 4.168 -6.338 134 HB3 MET 17 HB3 MET 17 7.187 4.730 -7.215 135 HG2 MET 17 HG2 MET 17 7.577 2.604 -8.684 136 HG3 MET 17 HG3 MET 17 8.550 2.056 -7.323 137 HE1 MET 17 HE1 MET 17 7.420 2.115 -4.714 138 HE2 MET 17 HE2 MET 17 5.677 2.268 -4.475 139 HE3 MET 17 HE3 MET 17 6.616 3.663 -5.000 140 H LYS 18 H LYS 18 11.180 5.480 -7.103 141 HA LYS 18 HA LYS 18 10.497 8.056 -6.140 142 HB2 LYS 18 HB2 LYS 18 12.244 6.763 -5.034 143 HB3 LYS 18 HB3 LYS 18 13.224 6.739 -6.495 144 HG2 LYS 18 HG2 LYS 18 14.097 8.334 -4.825 145 HG3 LYS 18 HG3 LYS 18 13.621 9.145 -6.321 146 HD2 LYS 18 HD2 LYS 18 11.404 9.712 -5.165 147 HD3 LYS 18 HD3 LYS 18 12.128 9.113 -3.666 148 HE2 LYS 18 HE2 LYS 18 13.244 11.379 -5.356 149 HE3 LYS 18 HE3 LYS 18 12.262 11.587 -3.907 150 HZ1 LYS 18 HZ1 LYS 18 14.908 10.242 -4.001 151 HZ2 LYS 18 HZ2 LYS 18 13.971 10.506 -2.619 152 HZ3 LYS 18 HZ3 LYS 18 14.624 11.820 -3.458 153 H GLY 19 H GLY 19 10.349 9.919 -7.185 154 HA2 GLY 19 HA2 GLY 19 10.969 11.713 -8.535 155 HA3 GLY 19 HA3 GLY 19 12.192 10.720 -9.308 156 H ALA 20 H ALA 20 9.307 8.998 -9.327 157 HA ALA 20 HA ALA 20 8.984 9.331 -12.188 158 HB1 ALA 20 HB1 ALA 20 7.408 7.621 -10.221 159 HB2 ALA 20 HB2 ALA 20 8.829 7.114 -11.140 160 HB3 ALA 20 HB3 ALA 20 7.335 7.516 -11.985 161 H GLU 21 H GLU 21 7.129 10.003 -13.308 162 HA GLU 21 HA GLU 21 5.428 11.984 -12.010 163 HB2 GLU 21 HB2 GLU 21 5.436 11.072 -14.919 164 HB3 GLU 21 HB3 GLU 21 4.520 12.422 -14.269 165 HG2 GLU 21 HG2 GLU 21 6.337 13.439 -15.284 166 HG3 GLU 21 HG3 GLU 21 6.784 13.425 -13.589 167 H ALA 22 H ALA 22 3.835 11.158 -10.839 168 HA ALA 22 HA ALA 22 2.209 8.877 -11.785 169 HB1 ALA 22 HB1 ALA 22 3.197 8.649 -9.542 170 HB2 ALA 22 HB2 ALA 22 1.435 8.686 -9.456 171 HB3 ALA 22 HB3 ALA 22 2.371 10.117 -9.013 172 H THR 23 H THR 23 -0.100 8.978 -11.698 173 HA THR 23 HA THR 23 -1.307 11.703 -11.701 174 HB THR 23 HB THR 23 -2.246 9.318 -13.377 175 HG1 THR 23 HG1 THR 23 -0.391 11.316 -13.874 176 HG21 THR 23 HG21 THR 23 -3.688 10.973 -14.525 177 HG22 THR 23 HG22 THR 23 -3.114 12.249 -13.448 178 HG23 THR 23 HG23 THR 23 -4.074 10.914 -12.804 179 H VAL 24 H VAL 24 -2.771 11.978 -10.099 180 HA VAL 24 HA VAL 24 -3.665 9.805 -8.411 181 HB VAL 24 HB VAL 24 -4.556 12.731 -8.448 182 HG11 VAL 24 HG11 VAL 24 -5.380 12.334 -6.137 183 HG12 VAL 24 HG12 VAL 24 -4.990 10.620 -6.293 184 HG13 VAL 24 HG13 VAL 24 -6.237 11.337 -7.315 185 HG21 VAL 24 HG21 VAL 24 -2.998 13.049 -6.552 186 HG22 VAL 24 HG22 VAL 24 -2.140 12.510 -7.996 187 HG23 VAL 24 HG23 VAL 24 -2.473 11.368 -6.692 188 H THR 25 H THR 25 -5.094 8.375 -9.350 189 HA THR 25 HA THR 25 -7.453 9.463 -10.832 190 HB THR 25 HB THR 25 -7.553 7.235 -11.981 191 HG1 THR 25 HG1 THR 25 -5.046 6.396 -11.545 192 HG21 THR 25 HG21 THR 25 -5.621 7.602 -13.472 193 HG22 THR 25 HG22 THR 25 -4.887 8.675 -12.279 194 HG23 THR 25 HG23 THR 25 -6.397 9.136 -13.071 195 H GLY 26 H GLY 26 -6.609 8.000 -7.916 196 HA2 GLY 26 HA2 GLY 26 -9.445 7.460 -7.336 197 HA3 GLY 26 HA3 GLY 26 -8.278 6.178 -7.033 198 H ALA 27 H ALA 27 -9.954 8.520 -5.497 199 HA ALA 27 HA ALA 27 -7.842 9.165 -3.514 200 HB1 ALA 27 HB1 ALA 27 -9.369 10.946 -2.740 201 HB2 ALA 27 HB2 ALA 27 -10.544 10.478 -3.975 202 HB3 ALA 27 HB3 ALA 27 -8.967 11.115 -4.451 203 H TYR 28 H TYR 28 -7.806 7.859 -1.763 204 HA TYR 28 HA TYR 28 -10.345 6.779 -0.645 205 HB2 TYR 28 HB2 TYR 28 -7.659 5.313 -0.739 206 HB3 TYR 28 HB3 TYR 28 -9.150 4.691 -0.046 207 HD1 TYR 28 HD1 TYR 28 -7.583 5.737 -3.279 208 HD2 TYR 28 HD2 TYR 28 -10.693 3.444 -1.438 209 HE1 TYR 28 HE1 TYR 28 -8.127 4.733 -5.449 210 HE2 TYR 28 HE2 TYR 28 -11.229 2.439 -3.622 211 HH TYR 28 HH TYR 28 -10.959 3.058 -6.068 212 H ASP 29 H ASP 29 -10.660 7.621 1.338 213 HA ASP 29 HA ASP 29 -8.346 8.092 3.141 214 HB2 ASP 29 HB2 ASP 29 -9.777 9.775 4.316 215 HB3 ASP 29 HB3 ASP 29 -9.430 10.206 2.648 216 H THR 30 H THR 30 -8.264 5.996 3.876 217 HA THR 30 HA THR 30 -10.359 5.166 5.810 218 HB THR 30 HB THR 30 -10.764 3.873 3.744 219 HG1 THR 30 HG1 THR 30 -10.912 1.933 4.740 220 HG21 THR 30 HG21 THR 30 -8.490 3.909 2.768 221 HG22 THR 30 HG22 THR 30 -9.119 2.263 2.874 222 HG23 THR 30 HG23 THR 30 -7.927 2.824 4.046 223 H THR 31 H THR 31 -9.366 3.106 7.096 224 HA THR 31 HA THR 31 -6.882 3.980 8.306 225 HB THR 31 HB THR 31 -8.290 1.336 8.899 226 HG1 THR 31 HG1 THR 31 -9.085 2.949 10.716 227 HG21 THR 31 HG21 THR 31 -6.037 1.637 9.916 228 HG22 THR 31 HG22 THR 31 -7.301 1.626 11.146 229 HG23 THR 31 HG23 THR 31 -6.573 3.154 10.646 230 H ALA 32 H ALA 32 -4.877 3.341 7.724 231 HA ALA 32 HA ALA 32 -4.481 1.034 5.899 232 HB1 ALA 32 HB1 ALA 32 -3.975 3.209 4.865 233 HB2 ALA 32 HB2 ALA 32 -2.512 2.238 5.037 234 HB3 ALA 32 HB3 ALA 32 -2.826 3.571 6.155 235 H TYR 33 H TYR 33 -3.227 -0.596 6.658 236 HA TYR 33 HA TYR 33 -2.015 -0.357 9.329 237 HB2 TYR 33 HB2 TYR 33 -2.933 -2.843 7.817 238 HB3 TYR 33 HB3 TYR 33 -2.316 -2.819 9.469 239 HD1 TYR 33 HD1 TYR 33 -3.609 -1.261 11.159 240 HD2 TYR 33 HD2 TYR 33 -5.285 -2.673 7.490 241 HE1 TYR 33 HE1 TYR 33 -5.865 -0.813 12.011 242 HE2 TYR 33 HE2 TYR 33 -7.536 -2.225 8.356 243 HH TYR 33 HH TYR 33 -8.127 -0.335 11.078 244 H VAL 34 H VAL 34 -0.045 -1.132 9.817 245 HA VAL 34 HA VAL 34 1.844 -1.988 7.700 246 HB VAL 34 HB VAL 34 2.219 -0.624 10.408 247 HG11 VAL 34 HG11 VAL 34 4.451 -1.858 8.760 248 HG12 VAL 34 HG12 VAL 34 3.908 -2.420 10.341 249 HG13 VAL 34 HG13 VAL 34 4.666 -0.835 10.183 250 HG21 VAL 34 HG21 VAL 34 1.808 0.840 8.453 251 HG22 VAL 34 HG22 VAL 34 3.188 0.127 7.613 252 HG23 VAL 34 HG23 VAL 34 3.442 1.075 9.080 253 H VAL 35 H VAL 35 2.137 -4.200 7.624 254 HA VAL 35 HA VAL 35 1.562 -5.830 10.061 255 HB VAL 35 HB VAL 35 0.426 -7.525 8.649 256 HG11 VAL 35 HG11 VAL 35 -0.956 -5.795 9.732 257 HG12 VAL 35 HG12 VAL 35 -1.663 -6.280 8.190 258 HG13 VAL 35 HG13 VAL 35 -0.787 -4.751 8.316 259 HG21 VAL 35 HG21 VAL 35 0.765 -5.560 6.336 260 HG22 VAL 35 HG22 VAL 35 -0.202 -7.037 6.282 261 HG23 VAL 35 HG23 VAL 35 1.548 -7.135 6.484 262 H SER 36 H SER 36 2.763 -7.722 10.377 263 HA SER 36 HA SER 36 5.018 -8.269 8.511 264 HB2 SER 36 HB2 SER 36 4.768 -8.933 11.479 265 HB3 SER 36 HB3 SER 36 6.131 -9.389 10.453 266 HG SER 36 HG SER 36 5.332 -6.837 11.336 267 H TYR 37 H TYR 37 5.153 -10.259 7.521 268 HA TYR 37 HA TYR 37 3.637 -12.568 8.389 269 HB2 TYR 37 HB2 TYR 37 2.203 -12.780 6.407 270 HB3 TYR 37 HB3 TYR 37 1.868 -11.263 7.224 271 HD1 TYR 37 HD2 TYR 37 2.675 -9.092 6.211 272 HD2 TYR 37 HD1 TYR 37 3.009 -12.793 4.094 273 HE1 TYR 37 HE2 TYR 37 2.980 -7.878 4.116 274 HE2 TYR 37 HE1 TYR 37 3.330 -11.555 1.988 275 HH TYR 37 HH TYR 37 3.937 -8.176 1.927 276 H THR 38 H THR 38 3.974 -14.448 7.068 277 HA THR 38 HA THR 38 6.385 -14.398 5.337 278 HB THR 38 HB THR 38 5.293 -16.784 6.912 279 HG1 THR 38 HG1 THR 38 7.167 -16.492 8.191 280 HG21 THR 38 HG21 THR 38 7.865 -16.519 5.289 281 HG22 THR 38 HG22 THR 38 6.456 -17.479 4.831 282 HG23 THR 38 HG23 THR 38 7.405 -17.922 6.251 283 HA PRO 39 HA PRO 39 3.168 -15.236 2.099 284 HB2 PRO 39 HB2 PRO 39 5.745 -15.722 0.584 285 HB3 PRO 39 HB3 PRO 39 4.308 -14.815 0.093 286 HG2 PRO 39 HG2 PRO 39 6.479 -13.505 0.894 287 HG3 PRO 39 HG3 PRO 39 4.868 -12.949 1.401 288 HD2 PRO 39 HD2 PRO 39 6.934 -14.479 2.976 289 HD3 PRO 39 HD3 PRO 39 5.853 -13.168 3.505 290 H THR 40 H THR 40 2.162 -17.167 2.114 291 HA THR 40 HA THR 40 3.340 -19.494 3.268 292 HB THR 40 HB THR 40 1.101 -20.546 2.919 293 HG1 THR 40 HG1 THR 40 -0.206 -19.759 1.458 294 HG21 THR 40 HG21 THR 40 1.450 -19.109 4.906 295 HG22 THR 40 HG22 THR 40 -0.207 -18.983 4.316 296 HG23 THR 40 HG23 THR 40 0.946 -17.693 3.978 297 H ASN 41 H ASN 41 3.342 -18.488 0.018 298 HA ASN 41 HA ASN 41 3.534 -21.074 -1.241 299 HB2 ASN 41 HB2 ASN 41 2.831 -18.925 -2.381 300 HB3 ASN 41 HB3 ASN 41 4.491 -18.363 -2.269 301 HD21 ASN 41 HD21 ASN 41 6.058 -19.327 -3.622 302 HD22 ASN 41 HD22 ASN 41 5.616 -20.268 -4.997 303 H GLY 42 H GLY 42 5.564 -19.657 0.948 304 HA2 GLY 42 HA2 GLY 42 7.717 -20.264 1.612 305 HA3 GLY 42 HA3 GLY 42 7.973 -21.072 0.072 306 H GLY 43 H GLY 43 6.865 -17.752 0.564 307 HA2 GLY 43 HA2 GLY 43 8.984 -16.716 -1.176 308 HA3 GLY 43 HA3 GLY 43 7.540 -15.862 -0.655 309 H GLN 44 H GLN 44 9.384 -14.204 -0.454 310 HA GLN 44 HA GLN 44 11.197 -14.359 1.771 311 HB2 GLN 44 HB2 GLN 44 10.353 -11.859 0.232 312 HB3 GLN 44 HB3 GLN 44 11.769 -12.021 1.258 313 HG2 GLN 44 HG2 GLN 44 12.650 -12.116 -0.900 314 HG3 GLN 44 HG3 GLN 44 12.555 -13.817 -0.449 315 HE21 GLN 44 HE21 GLN 44 11.189 -11.297 -2.462 316 HE22 GLN 44 HE22 GLN 44 10.338 -12.351 -3.533 317 H ARG 45 H ARG 45 10.449 -14.255 3.882 318 HA ARG 45 HA ARG 45 8.179 -13.137 4.934 319 HB2 ARG 45 HB2 ARG 45 9.393 -14.331 6.530 320 HB3 ARG 45 HB3 ARG 45 10.939 -13.692 6.007 321 HG2 ARG 45 HG2 ARG 45 10.516 -12.970 8.270 322 HG3 ARG 45 HG3 ARG 45 10.462 -11.568 7.210 323 HD2 ARG 45 HD2 ARG 45 8.693 -11.297 8.769 324 HD3 ARG 45 HD3 ARG 45 7.923 -11.772 7.259 325 HE ARG 45 HE ARG 45 7.883 -14.089 8.262 326 HH11 ARG 45 HH11 ARG 45 7.747 -11.269 10.285 327 HH12 ARG 45 HH12 ARG 45 6.895 -12.097 11.539 328 HH21 ARG 45 HH21 ARG 45 6.779 -15.099 9.867 329 HH22 ARG 45 HH22 ARG 45 6.345 -14.233 11.298 330 H VAL 46 H VAL 46 7.352 -11.186 4.808 331 HA VAL 46 HA VAL 46 9.059 -8.782 4.576 332 HB VAL 46 HB VAL 46 6.088 -9.050 3.895 333 HG11 VAL 46 HG11 VAL 46 6.710 -6.743 4.510 334 HG12 VAL 46 HG12 VAL 46 6.359 -6.850 2.786 335 HG13 VAL 46 HG13 VAL 46 8.034 -6.767 3.339 336 HG21 VAL 46 HG21 VAL 46 8.468 -8.985 1.999 337 HG22 VAL 46 HG22 VAL 46 6.768 -8.981 1.523 338 HG23 VAL 46 HG23 VAL 46 7.452 -10.389 2.336 339 H ASP 47 H ASP 47 9.320 -7.723 6.438 340 HA ASP 47 HA ASP 47 7.239 -7.800 8.558 341 HB2 ASP 47 HB2 ASP 47 10.183 -7.000 8.687 342 HB3 ASP 47 HB3 ASP 47 9.059 -6.849 10.035 343 H HIS 48 H HIS 48 6.309 -5.932 9.285 344 HA HIS 48 HA HIS 48 5.391 -3.869 9.189 345 HB2 HIS 48 HB2 HIS 48 8.301 -3.127 8.656 346 HB3 HIS 48 HB3 HIS 48 7.043 -1.936 8.962 347 HD1 HIS 48 HD1 HIS 48 7.816 -1.081 11.193 348 HD2 HIS 48 HD2 HIS 48 7.452 -5.207 11.120 349 HE1 HIS 48 HE1 HIS 48 8.110 -1.812 13.571 350 HE2 HIS 48 HE2 HIS 48 7.684 -4.282 13.520 351 H HIS 49 H HIS 49 5.029 -5.329 6.891 352 HA HIS 49 HA HIS 49 5.458 -4.039 4.427 353 HB2 HIS 49 HB2 HIS 49 4.711 -6.397 4.573 354 HB3 HIS 49 HB3 HIS 49 3.161 -5.881 5.225 355 HD2 HIS 49 HD2 HIS 49 1.288 -5.075 3.344 356 HE1 HIS 49 HE1 HIS 49 3.791 -5.612 -0.017 357 HE2 HIS 49 HE2 HIS 49 1.496 -4.901 0.768 358 H LYS 50 H LYS 50 4.521 -2.381 3.457 359 HA LYS 50 HA LYS 50 1.843 -1.458 4.123 360 HB2 LYS 50 HB2 LYS 50 2.584 0.861 4.547 361 HB3 LYS 50 HB3 LYS 50 3.287 -0.246 5.721 362 HG2 LYS 50 HG2 LYS 50 5.422 -0.208 4.461 363 HG3 LYS 50 HG3 LYS 50 4.705 0.917 3.307 364 HD2 LYS 50 HD2 LYS 50 4.370 2.544 5.210 365 HD3 LYS 50 HD3 LYS 50 5.259 1.427 6.255 366 HE2 LYS 50 HE2 LYS 50 6.320 2.801 3.766 367 HE3 LYS 50 HE3 LYS 50 6.750 3.186 5.430 368 HZ1 LYS 50 HZ1 LYS 50 8.441 1.834 4.346 369 HZ2 LYS 50 HZ2 LYS 50 7.314 0.608 4.050 370 HZ3 LYS 50 HZ3 LYS 50 7.751 0.996 5.637 371 H TRP 51 H TRP 51 1.674 -0.166 0.774 372 HA TRP 51 HA TRP 51 0.616 -0.180 3.536 373 HB2 TRP 51 HB2 TRP 51 -0.211 1.554 1.170 374 HB3 TRP 51 HB3 TRP 51 -0.991 1.567 2.752 375 HD1 TRP 51 HD1 TRP 51 2.050 2.933 0.915 376 HE1 TRP 51 HE1 TRP 51 3.347 4.506 2.475 377 HE3 TRP 51 HE3 TRP 51 -0.393 1.930 5.317 378 HZ2 TRP 51 HZ2 TRP 51 3.355 5.228 5.202 379 HZ3 TRP 51 HZ3 TRP 51 0.324 3.111 7.356 380 HH2 TRP 51 HH2 TRP 51 2.161 4.730 7.300 381 H VAL 52 H VAL 52 -1.085 -1.293 4.008 382 HA VAL 52 HA VAL 52 -2.918 -2.389 1.947 383 HB VAL 52 HB VAL 52 -3.403 -4.346 3.454 384 HG11 VAL 52 HG11 VAL 52 -1.396 -5.674 2.891 385 HG12 VAL 52 HG12 VAL 52 -0.502 -4.193 2.543 386 HG13 VAL 52 HG13 VAL 52 -1.883 -4.646 1.540 387 HG21 VAL 52 HG21 VAL 52 -1.838 -4.957 5.282 388 HG22 VAL 52 HG22 VAL 52 -2.635 -3.418 5.617 389 HG23 VAL 52 HG23 VAL 52 -0.965 -3.439 5.049 390 H ILE 53 H ILE 53 -5.162 -2.362 2.554 391 HA ILE 53 HA ILE 53 -5.738 -0.439 4.759 392 HB ILE 53 HB ILE 53 -7.691 0.340 3.496 393 HG12 ILE 53 HG12 ILE 53 -6.810 -1.600 1.299 394 HG13 ILE 53 HG13 ILE 53 -8.262 -1.760 2.282 395 HG21 ILE 53 HG21 ILE 53 -5.531 1.481 3.133 396 HG22 ILE 53 HG22 ILE 53 -6.511 1.519 1.668 397 HG23 ILE 53 HG23 ILE 53 -5.161 0.387 1.796 398 HD11 ILE 53 HD11 ILE 53 -8.819 -0.958 0.093 399 HD12 ILE 53 HD12 ILE 53 -7.686 0.384 0.242 400 HD13 ILE 53 HD13 ILE 53 -9.127 0.324 1.265 401 H GLN 54 H GLN 54 -7.967 -0.598 5.692 402 HA GLN 54 HA GLN 54 -8.488 -2.995 6.949 403 HB2 GLN 54 HB2 GLN 54 -9.302 -0.760 7.675 404 HB3 GLN 54 HB3 GLN 54 -10.485 -0.766 6.373 405 HG2 GLN 54 HG2 GLN 54 -11.528 -2.803 7.430 406 HG3 GLN 54 HG3 GLN 54 -10.406 -2.618 8.778 407 HE21 GLN 54 HE21 GLN 54 -12.071 -2.280 10.277 408 HE22 GLN 54 HE22 GLN 54 -13.020 -0.841 10.295 409 H GLU 55 H GLU 55 -9.843 -1.907 3.834 410 HA GLU 55 HA GLU 55 -11.934 -3.837 3.628 411 HB2 GLU 55 HB2 GLU 55 -11.916 -1.634 2.469 412 HB3 GLU 55 HB3 GLU 55 -10.548 -2.156 1.501 413 HG2 GLU 55 HG2 GLU 55 -12.604 -2.240 0.202 414 HG3 GLU 55 HG3 GLU 55 -11.940 -3.861 0.408 415 H GLU 56 H GLU 56 -8.520 -4.050 3.145 416 HA GLU 56 HA GLU 56 -8.640 -6.304 1.244 417 HB2 GLU 56 HB2 GLU 56 -6.313 -4.654 2.320 418 HB3 GLU 56 HB3 GLU 56 -6.120 -6.035 1.244 419 HG2 GLU 56 HG2 GLU 56 -7.470 -4.873 -0.474 420 HG3 GLU 56 HG3 GLU 56 -7.602 -3.479 0.596 421 H ILE 57 H ILE 57 -9.062 -6.146 4.437 422 HA ILE 57 HA ILE 57 -7.612 -8.675 5.010 423 HB ILE 57 HB ILE 57 -8.165 -6.350 6.923 424 HG12 ILE 57 HG12 ILE 57 -5.511 -7.548 5.971 425 HG13 ILE 57 HG13 ILE 57 -6.189 -6.023 5.415 426 HG21 ILE 57 HG21 ILE 57 -8.541 -8.447 8.130 427 HG22 ILE 57 HG22 ILE 57 -7.036 -7.710 8.673 428 HG23 ILE 57 HG23 ILE 57 -6.989 -9.084 7.568 429 HD11 ILE 57 HD11 ILE 57 -5.259 -6.625 8.226 430 HD12 ILE 57 HD12 ILE 57 -5.923 -5.087 7.660 431 HD13 ILE 57 HD13 ILE 57 -4.397 -5.682 7.011 432 H LYS 58 H LYS 58 -8.802 -10.331 5.835 433 HA LYS 58 HA LYS 58 -11.669 -10.306 5.727 434 HB2 LYS 58 HB2 LYS 58 -10.347 -12.297 5.132 435 HB3 LYS 58 HB3 LYS 58 -9.693 -12.385 6.764 436 HG2 LYS 58 HG2 LYS 58 -11.924 -12.926 7.654 437 HG3 LYS 58 HG3 LYS 58 -12.620 -12.769 6.038 438 HD2 LYS 58 HD2 LYS 58 -12.267 -15.142 6.633 439 HD3 LYS 58 HD3 LYS 58 -11.285 -14.672 5.242 440 HE2 LYS 58 HE2 LYS 58 -10.029 -16.102 6.814 441 HE3 LYS 58 HE3 LYS 58 -9.299 -14.503 6.679 442 HZ1 LYS 58 HZ1 LYS 58 -11.115 -15.343 8.875 443 HZ2 LYS 58 HZ2 LYS 58 -10.267 -13.883 8.764 444 HZ3 LYS 58 HZ3 LYS 58 -9.429 -15.333 8.969 445 H ASP 59 H ASP 59 -9.371 -10.806 8.377 446 HA ASP 59 HA ASP 59 -11.257 -10.995 10.479 447 HB2 ASP 59 HB2 ASP 59 -8.260 -10.455 10.598 448 HB3 ASP 59 HB3 ASP 59 -9.263 -10.960 11.963 449 H ALA 60 H ALA 60 -10.290 -8.202 8.831 450 HA ALA 60 HA ALA 60 -10.094 -6.106 10.462 451 HB1 ALA 60 HB1 ALA 60 -12.001 -6.240 8.120 452 HB2 ALA 60 HB2 ALA 60 -10.262 -5.965 8.025 453 HB3 ALA 60 HB3 ALA 60 -11.300 -4.771 8.808 454 H GLY 61 H GLY 61 -13.350 -7.552 9.776 455 HA2 GLY 61 HA2 GLY 61 -15.103 -7.926 11.208 456 HA3 GLY 61 HA3 GLY 61 -14.013 -7.565 12.526 457 H ASP 62 H ASP 62 -14.576 -5.100 10.151 458 HA ASP 62 HA ASP 62 -15.446 -3.029 10.176 459 HB2 ASP 62 HB2 ASP 62 -17.490 -4.211 12.106 460 HB3 ASP 62 HB3 ASP 62 -17.622 -2.604 11.391 461 H LYS 63 H LYS 63 -13.591 -4.089 12.470 462 HA LYS 63 HA LYS 63 -13.729 -1.714 14.248 463 HB2 LYS 63 HB2 LYS 63 -12.356 -3.002 15.861 464 HB3 LYS 63 HB3 LYS 63 -13.861 -3.836 15.501 465 HG2 LYS 63 HG2 LYS 63 -12.788 -5.507 14.226 466 HG3 LYS 63 HG3 LYS 63 -11.312 -4.563 14.036 467 HD2 LYS 63 HD2 LYS 63 -12.279 -5.757 16.670 468 HD3 LYS 63 HD3 LYS 63 -11.075 -6.496 15.610 469 HE2 LYS 63 HE2 LYS 63 -9.613 -4.502 15.906 470 HE3 LYS 63 HE3 LYS 63 -10.810 -3.797 16.994 471 HZ1 LYS 63 HZ1 LYS 63 -9.253 -6.279 17.423 472 HZ2 LYS 63 HZ2 LYS 63 -10.489 -5.743 18.445 473 HZ3 LYS 63 HZ3 LYS 63 -9.088 -4.814 18.252 474 H THR 64 H THR 64 -11.570 -0.928 15.002 475 HA THR 64 HA THR 64 -9.631 -0.657 12.827 476 HB THR 64 HB THR 64 -9.478 0.433 15.678 477 HG1 THR 64 HG1 THR 64 -10.016 2.431 14.372 478 HG21 THR 64 HG21 THR 64 -7.261 0.336 14.548 479 HG22 THR 64 HG22 THR 64 -7.798 2.003 14.761 480 HG23 THR 64 HG23 THR 64 -7.928 1.233 13.179 481 H LEU 65 H LEU 65 -8.067 -2.175 12.574 482 HA LEU 65 HA LEU 65 -7.522 -4.196 14.546 483 HB2 LEU 65 HB2 LEU 65 -6.189 -3.576 11.886 484 HB3 LEU 65 HB3 LEU 65 -5.871 -5.008 12.847 485 HG LEU 65 HG LEU 65 -8.607 -4.308 11.704 486 HD11 LEU 65 HD11 LEU 65 -8.214 -6.050 10.018 487 HD12 LEU 65 HD12 LEU 65 -6.566 -6.264 10.609 488 HD13 LEU 65 HD13 LEU 65 -7.050 -4.735 9.870 489 HD21 LEU 65 HD21 LEU 65 -9.210 -6.624 12.276 490 HD22 LEU 65 HD22 LEU 65 -8.717 -5.730 13.713 491 HD23 LEU 65 HD23 LEU 65 -7.606 -6.886 12.970 492 H GLN 66 H GLN 66 -6.080 -4.080 16.118 493 HA GLN 66 HA GLN 66 -4.253 -1.751 16.301 494 HB2 GLN 66 HB2 GLN 66 -5.820 -3.226 18.473 495 HB3 GLN 66 HB3 GLN 66 -4.702 -1.895 18.778 496 HG2 GLN 66 HG2 GLN 66 -6.118 -0.331 17.594 497 HG3 GLN 66 HG3 GLN 66 -7.148 -1.634 17.002 498 HE21 GLN 66 HE21 GLN 66 -6.365 0.369 19.737 499 HE22 GLN 66 HE22 GLN 66 -7.731 -0.068 20.699 500 HA PRO 67 HA PRO 67 -0.528 -4.236 16.842 501 HB2 PRO 67 HB2 PRO 67 -0.302 -2.811 19.513 502 HB3 PRO 67 HB3 PRO 67 0.952 -3.125 18.299 503 HG2 PRO 67 HG2 PRO 67 -0.174 -0.724 18.423 504 HG3 PRO 67 HG3 PRO 67 0.139 -1.467 16.839 505 HD2 PRO 67 HD2 PRO 67 -2.465 -1.144 18.300 506 HD3 PRO 67 HD3 PRO 67 -2.136 -1.114 16.555 507 H GLY 68 H GLY 68 -0.785 -6.338 17.198 508 HA2 GLY 68 HA2 GLY 68 -0.581 -8.197 18.838 509 HA3 GLY 68 HA3 GLY 68 -1.736 -7.364 19.863 510 H ASP 69 H ASP 69 -3.212 -6.804 17.105 511 HA ASP 69 HA ASP 69 -4.847 -9.200 17.074 512 HB2 ASP 69 HB2 ASP 69 -4.899 -6.664 15.383 513 HB3 ASP 69 HB3 ASP 69 -6.005 -8.007 15.097 514 H GLN 70 H GLN 70 -4.532 -10.971 15.903 515 HA GLN 70 HA GLN 70 -2.573 -10.991 13.675 516 HB2 GLN 70 HB2 GLN 70 -2.145 -12.685 15.415 517 HB3 GLN 70 HB3 GLN 70 -3.784 -13.310 15.259 518 HG2 GLN 70 HG2 GLN 70 -3.296 -14.061 12.967 519 HG3 GLN 70 HG3 GLN 70 -1.666 -13.403 13.079 520 HE21 GLN 70 HE21 GLN 70 -0.128 -14.496 14.349 521 HE22 GLN 70 HE22 GLN 70 -0.372 -16.119 14.886 522 H VAL 71 H VAL 71 -3.332 -11.046 11.637 523 HA VAL 71 HA VAL 71 -6.196 -11.621 11.116 524 HB VAL 71 HB VAL 71 -6.178 -9.808 9.453 525 HG11 VAL 71 HG11 VAL 71 -6.850 -9.199 11.734 526 HG12 VAL 71 HG12 VAL 71 -6.009 -7.849 10.972 527 HG13 VAL 71 HG13 VAL 71 -5.172 -8.848 12.162 528 HG21 VAL 71 HG21 VAL 71 -3.817 -9.884 8.739 529 HG22 VAL 71 HG22 VAL 71 -3.302 -9.255 10.304 530 HG23 VAL 71 HG23 VAL 71 -4.256 -8.242 9.217 531 H ILE 72 H ILE 72 -6.598 -11.917 8.689 532 HA ILE 72 HA ILE 72 -4.383 -13.258 7.235 533 HB ILE 72 HB ILE 72 -7.375 -13.852 7.021 534 HG12 ILE 72 HG12 ILE 72 -6.373 -14.793 9.098 535 HG13 ILE 72 HG13 ILE 72 -6.879 -16.065 7.994 536 HG21 ILE 72 HG21 ILE 72 -5.064 -15.156 5.525 537 HG22 ILE 72 HG22 ILE 72 -6.307 -14.112 4.833 538 HG23 ILE 72 HG23 ILE 72 -6.748 -15.692 5.476 539 HD11 ILE 72 HD11 ILE 72 -4.542 -16.400 7.322 540 HD12 ILE 72 HD12 ILE 72 -4.770 -16.597 9.058 541 HD13 ILE 72 HD13 ILE 72 -4.043 -15.118 8.431 542 H LEU 73 H LEU 73 -3.978 -12.533 5.181 543 HA LEU 73 HA LEU 73 -5.119 -9.986 4.351 544 HB2 LEU 73 HB2 LEU 73 -2.953 -11.690 3.056 545 HB3 LEU 73 HB3 LEU 73 -3.337 -10.027 2.633 546 HG LEU 73 HG LEU 73 -2.237 -10.909 5.344 547 HD11 LEU 73 HD11 LEU 73 -0.760 -9.549 3.063 548 HD12 LEU 73 HD12 LEU 73 -0.562 -11.229 3.569 549 HD13 LEU 73 HD13 LEU 73 -0.104 -9.926 4.661 550 HD21 LEU 73 HD21 LEU 73 -1.890 -8.508 5.773 551 HD22 LEU 73 HD22 LEU 73 -3.594 -8.863 5.513 552 HD23 LEU 73 HD23 LEU 73 -2.647 -8.107 4.228 553 H GLU 74 H GLU 74 -6.915 -9.909 3.108 554 HA GLU 74 HA GLU 74 -7.713 -12.006 1.260 555 HB2 GLU 74 HB2 GLU 74 -8.891 -9.252 1.823 556 HB3 GLU 74 HB3 GLU 74 -9.586 -10.399 0.677 557 HG2 GLU 74 HG2 GLU 74 -9.239 -10.848 3.655 558 HG3 GLU 74 HG3 GLU 74 -10.750 -10.442 2.844 559 H ALA 75 H ALA 75 -6.023 -8.925 1.059 560 HA ALA 75 HA ALA 75 -5.988 -8.863 -1.852 561 HB1 ALA 75 HB1 ALA 75 -4.339 -7.286 0.163 562 HB2 ALA 75 HB2 ALA 75 -5.856 -6.765 -0.572 563 HB3 ALA 75 HB3 ALA 75 -4.425 -6.979 -1.576 564 H SER 76 H SER 76 -4.146 -9.196 -3.151 565 HA SER 76 HA SER 76 -1.729 -10.353 -1.942 566 HB2 SER 76 HB2 SER 76 -3.097 -12.291 -2.634 567 HB3 SER 76 HB3 SER 76 -3.230 -11.641 -4.267 568 HG SER 76 HG SER 76 -1.355 -12.452 -4.692 569 H HIS 77 H HIS 77 -0.079 -9.164 -2.637 570 HA HIS 77 HA HIS 77 0.028 -8.059 -5.371 571 HB2 HIS 77 HB2 HIS 77 1.797 -7.508 -2.930 572 HB3 HIS 77 HB3 HIS 77 1.889 -6.671 -4.477 573 HD2 HIS 77 HD2 HIS 77 -0.914 -7.085 -1.662 574 HE1 HIS 77 HE1 HIS 77 -1.033 -3.186 -3.286 575 HE2 HIS 77 HE2 HIS 77 -1.872 -4.686 -1.437 576 H MET 78 H MET 78 1.367 -10.492 -3.274 577 HA MET 78 HA MET 78 3.340 -11.354 -5.323 578 HB2 MET 78 HB2 MET 78 3.721 -11.608 -2.306 579 HB3 MET 78 HB3 MET 78 4.887 -12.018 -3.559 580 HG2 MET 78 HG2 MET 78 5.061 -9.620 -4.156 581 HG3 MET 78 HG3 MET 78 3.918 -9.231 -2.863 582 HE1 MET 78 HE1 MET 78 5.988 -10.353 0.318 583 HE2 MET 78 HE2 MET 78 4.847 -11.333 -0.599 584 HE3 MET 78 HE3 MET 78 4.470 -9.647 -0.233 585 H LYS 79 H LYS 79 3.849 -13.709 -5.205 586 HA LYS 79 HA LYS 79 1.628 -15.416 -4.958 587 HB2 LYS 79 HB2 LYS 79 3.189 -17.333 -5.234 588 HB3 LYS 79 HB3 LYS 79 3.447 -16.075 -6.427 589 HG2 LYS 79 HG2 LYS 79 5.191 -16.291 -3.952 590 HG3 LYS 79 HG3 LYS 79 5.522 -17.243 -5.397 591 HD2 LYS 79 HD2 LYS 79 5.422 -14.197 -5.272 592 HD3 LYS 79 HD3 LYS 79 6.895 -15.172 -5.287 593 HE2 LYS 79 HE2 LYS 79 6.306 -16.020 -7.541 594 HE3 LYS 79 HE3 LYS 79 4.827 -15.059 -7.517 595 HZ1 LYS 79 HZ1 LYS 79 7.591 -13.979 -7.433 596 HZ2 LYS 79 HZ2 LYS 79 6.170 -13.063 -7.425 597 HZ3 LYS 79 HZ3 LYS 79 6.567 -13.991 -8.779 598 H GLY 80 H GLY 80 0.720 -16.491 -3.308 599 HA2 GLY 80 HA2 GLY 80 0.387 -17.524 -1.264 600 HA3 GLY 80 HA3 GLY 80 2.099 -17.347 -0.918 601 H MET 81 H MET 81 0.530 -14.385 -1.759 602 HA MET 81 HA MET 81 0.725 -13.406 0.984 603 HB2 MET 81 HB2 MET 81 1.529 -12.023 -0.929 604 HB3 MET 81 HB3 MET 81 -0.116 -11.918 -1.544 605 HG2 MET 81 HG2 MET 81 -0.805 -10.688 0.455 606 HG3 MET 81 HG3 MET 81 0.819 -10.850 1.134 607 HE1 MET 81 HE1 MET 81 0.682 -7.042 0.261 608 HE2 MET 81 HE2 MET 81 0.977 -8.240 1.521 609 HE3 MET 81 HE3 MET 81 -0.652 -8.020 0.873 610 H LYS 82 H LYS 82 -1.898 -13.816 -1.457 611 HA LYS 82 HA LYS 82 -4.065 -13.398 0.341 612 HB2 LYS 82 HB2 LYS 82 -4.529 -13.417 -2.054 613 HB3 LYS 82 HB3 LYS 82 -3.912 -15.055 -2.222 614 HG2 LYS 82 HG2 LYS 82 -6.389 -14.979 -2.317 615 HG3 LYS 82 HG3 LYS 82 -5.810 -15.951 -0.961 616 HD2 LYS 82 HD2 LYS 82 -6.191 -13.959 0.544 617 HD3 LYS 82 HD3 LYS 82 -6.898 -13.110 -0.833 618 HE2 LYS 82 HE2 LYS 82 -7.955 -15.690 0.374 619 HE3 LYS 82 HE3 LYS 82 -8.616 -14.080 0.659 620 HZ1 LYS 82 HZ1 LYS 82 -8.506 -15.473 -1.960 621 HZ2 LYS 82 HZ2 LYS 82 -9.125 -13.921 -1.702 622 HZ3 LYS 82 HZ3 LYS 82 -9.878 -15.260 -1.000 623 H GLY 83 H GLY 83 -4.596 -14.574 2.073 624 HA2 GLY 83 HA2 GLY 83 -5.122 -16.511 3.286 625 HA3 GLY 83 HA3 GLY 83 -4.203 -17.491 2.154 626 H ALA 84 H ALA 84 -2.188 -14.933 2.799 627 HA ALA 84 HA ALA 84 -0.503 -16.404 4.586 628 HB1 ALA 84 HB1 ALA 84 -0.298 -13.492 3.720 629 HB2 ALA 84 HB2 ALA 84 0.431 -14.872 2.896 630 HB3 ALA 84 HB3 ALA 84 0.971 -14.432 4.515 631 H THR 85 H THR 85 -0.203 -16.213 6.747 632 HA THR 85 HA THR 85 -2.126 -14.798 8.388 633 HB THR 85 HB THR 85 0.321 -16.428 9.223 634 HG1 THR 85 HG1 THR 85 -1.777 -17.781 9.827 635 HG21 THR 85 HG21 THR 85 -0.390 -14.904 11.031 636 HG22 THR 85 HG22 THR 85 -0.783 -16.573 11.443 637 HG23 THR 85 HG23 THR 85 -2.053 -15.484 10.881 638 H ALA 86 H ALA 86 -1.872 -12.702 8.888 639 HA ALA 86 HA ALA 86 0.821 -11.457 8.954 640 HB1 ALA 86 HB1 ALA 86 -0.284 -9.348 8.281 641 HB2 ALA 86 HB2 ALA 86 -1.842 -10.180 8.210 642 HB3 ALA 86 HB3 ALA 86 -0.556 -10.621 7.089 643 H GLU 87 H GLU 87 1.138 -9.817 10.580 644 HA GLU 87 HA GLU 87 -0.839 -9.764 12.804 645 HB2 GLU 87 HB2 GLU 87 1.355 -11.186 13.113 646 HB3 GLU 87 HB3 GLU 87 2.178 -9.642 13.238 647 HG2 GLU 87 HG2 GLU 87 -0.057 -10.592 15.062 648 HG3 GLU 87 HG3 GLU 87 1.662 -10.704 15.423 649 H ILE 88 H ILE 88 -1.335 -7.746 13.519 650 HA ILE 88 HA ILE 88 -0.567 -5.463 11.944 651 HB ILE 88 HB ILE 88 -2.248 -5.475 14.494 652 HG12 ILE 88 HG12 ILE 88 -3.197 -7.063 12.811 653 HG13 ILE 88 HG13 ILE 88 -4.255 -5.693 13.109 654 HG21 ILE 88 HG21 ILE 88 -2.144 -3.446 12.221 655 HG22 ILE 88 HG22 ILE 88 -1.499 -3.223 13.848 656 HG23 ILE 88 HG23 ILE 88 -3.237 -3.388 13.609 657 HD11 ILE 88 HD11 ILE 88 -3.515 -4.683 10.990 658 HD12 ILE 88 HD12 ILE 88 -4.233 -6.280 10.773 659 HD13 ILE 88 HD13 ILE 88 -2.483 -6.088 10.702 660 H ASP 89 H ASP 89 1.498 -4.687 12.297 661 HA ASP 89 HA ASP 89 2.773 -4.401 14.839 662 HB2 ASP 89 HB2 ASP 89 3.263 -2.895 12.228 663 HB3 ASP 89 HB3 ASP 89 4.331 -2.840 13.631 664 H SER 90 H SER 90 0.648 -2.364 12.920 665 HA SER 90 HA SER 90 0.122 -0.465 14.994 666 HB2 SER 90 HB2 SER 90 2.336 0.414 14.401 667 HB3 SER 90 HB3 SER 90 1.914 0.438 12.688 668 HG SER 90 HG SER 90 0.579 2.143 13.026 669 H ALA 91 H ALA 91 -1.450 1.103 14.402 670 HA ALA 91 HA ALA 91 -2.846 0.730 11.806 671 HB1 ALA 91 HB1 ALA 91 -4.890 1.520 12.954 672 HB2 ALA 91 HB2 ALA 91 -3.992 1.669 14.469 673 HB3 ALA 91 HB3 ALA 91 -4.235 0.082 13.739 674 H GLU 92 H GLU 92 -2.967 2.526 10.501 675 HA GLU 92 HA GLU 92 -2.056 5.150 11.564 676 HB2 GLU 92 HB2 GLU 92 -0.243 4.045 10.285 677 HB3 GLU 92 HB3 GLU 92 -1.301 3.878 8.895 678 HG2 GLU 92 HG2 GLU 92 0.238 5.697 8.519 679 HG3 GLU 92 HG3 GLU 92 -1.393 6.345 8.676 680 H LYS 93 H LYS 93 -3.322 6.867 11.076 681 HA LYS 93 HA LYS 93 -5.348 6.651 8.946 682 HB2 LYS 93 HB2 LYS 93 -5.013 8.540 11.296 683 HB3 LYS 93 HB3 LYS 93 -5.985 9.034 9.914 684 HG2 LYS 93 HG2 LYS 93 -6.465 6.555 11.606 685 HG3 LYS 93 HG3 LYS 93 -7.368 8.074 11.707 686 HD2 LYS 93 HD2 LYS 93 -8.131 7.770 9.359 687 HD3 LYS 93 HD3 LYS 93 -7.230 6.252 9.263 688 HE2 LYS 93 HE2 LYS 93 -9.603 5.825 9.653 689 HE3 LYS 93 HE3 LYS 93 -8.652 5.304 11.042 690 HZ1 LYS 93 HZ1 LYS 93 -9.285 7.321 12.196 691 HZ2 LYS 93 HZ2 LYS 93 -10.664 6.478 11.695 692 HZ3 LYS 93 HZ3 LYS 93 -10.164 7.856 10.852 693 H THR 94 H THR 94 -4.210 6.815 7.117 694 HA THR 94 HA THR 94 -3.106 9.460 6.433 695 HB THR 94 HB THR 94 -1.135 8.047 6.783 696 HG1 THR 94 HG1 THR 94 -0.388 9.037 5.083 697 HG21 THR 94 HG21 THR 94 -0.712 5.997 5.467 698 HG22 THR 94 HG22 THR 94 -2.328 6.102 4.763 699 HG23 THR 94 HG23 THR 94 -2.134 5.801 6.492 700 H THR 95 H THR 95 -3.486 10.050 4.238 701 HA THR 95 HA THR 95 -5.778 8.713 3.015 702 HB THR 95 HB THR 95 -4.326 11.165 1.917 703 HG1 THR 95 HG1 THR 95 -5.084 12.179 3.608 704 HG21 THR 95 HG21 THR 95 -6.535 11.674 0.907 705 HG22 THR 95 HG22 THR 95 -7.201 10.196 1.598 706 HG23 THR 95 HG23 THR 95 -5.949 10.098 0.358 707 H VAL 96 H VAL 96 -5.626 7.336 1.281 708 HA VAL 96 HA VAL 96 -2.947 6.844 0.122 709 HB VAL 96 HB VAL 96 -3.624 4.423 -0.148 710 HG11 VAL 96 HG11 VAL 96 -3.466 5.408 2.733 711 HG12 VAL 96 HG12 VAL 96 -2.097 5.098 1.661 712 HG13 VAL 96 HG13 VAL 96 -3.125 3.762 2.185 713 HG21 VAL 96 HG21 VAL 96 -6.078 4.635 0.061 714 HG22 VAL 96 HG22 VAL 96 -5.911 5.128 1.746 715 HG23 VAL 96 HG23 VAL 96 -5.456 3.493 1.256 716 H TYR 97 H TYR 97 -2.854 6.670 -2.061 717 HA TYR 97 HA TYR 97 -5.324 7.115 -3.613 718 HB2 TYR 97 HB2 TYR 97 -2.556 8.317 -4.082 719 HB3 TYR 97 HB3 TYR 97 -3.930 8.513 -5.168 720 HD1 TYR 97 HD2 TYR 97 -5.999 9.751 -4.343 721 HD2 TYR 97 HD1 TYR 97 -2.343 9.740 -2.126 722 HE1 TYR 97 HE2 TYR 97 -6.774 11.691 -3.059 723 HE2 TYR 97 HE1 TYR 97 -3.133 11.679 -0.843 724 HH TYR 97 HH TYR 97 -6.366 12.784 -0.935 725 H MET 98 H MET 98 -5.657 5.990 -5.409 726 HA MET 98 HA MET 98 -3.761 3.961 -6.331 727 HB2 MET 98 HB2 MET 98 -6.168 3.417 -6.053 728 HB3 MET 98 HB3 MET 98 -6.599 4.648 -7.224 729 HG2 MET 98 HG2 MET 98 -4.785 2.386 -8.026 730 HG3 MET 98 HG3 MET 98 -6.526 2.136 -7.933 731 HE1 MET 98 HE1 MET 98 -7.923 4.520 -10.665 732 HE2 MET 98 HE2 MET 98 -7.846 4.785 -8.925 733 HE3 MET 98 HE3 MET 98 -8.286 3.195 -9.557 734 H VAL 99 H VAL 99 -2.245 4.559 -7.772 735 HA VAL 99 HA VAL 99 -2.716 6.907 -9.553 736 HB VAL 99 HB VAL 99 -0.370 7.623 -9.249 737 HG11 VAL 99 HG11 VAL 99 -0.531 8.511 -6.942 738 HG12 VAL 99 HG12 VAL 99 -1.841 7.381 -6.592 739 HG13 VAL 99 HG13 VAL 99 -2.070 8.649 -7.797 740 HG21 VAL 99 HG21 VAL 99 0.692 5.461 -8.734 741 HG22 VAL 99 HG22 VAL 99 -0.140 5.394 -7.179 742 HG23 VAL 99 HG23 VAL 99 1.074 6.640 -7.478 743 H ASP 100 H ASP 100 -1.431 7.044 -11.478 744 HA ASP 100 HA ASP 100 -0.214 4.510 -12.460 745 HB2 ASP 100 HB2 ASP 100 -1.450 6.724 -14.177 746 HB3 ASP 100 HB3 ASP 100 -0.898 5.138 -14.717 747 H TYR 101 H TYR 101 2.024 4.712 -12.626 748 HA TYR 101 HA TYR 101 3.216 7.401 -13.083 749 HB2 TYR 101 HB2 TYR 101 5.019 6.912 -11.497 750 HB3 TYR 101 HB3 TYR 101 3.468 6.736 -10.689 751 HD1 TYR 101 HD1 TYR 101 2.695 4.517 -9.922 752 HD2 TYR 101 HD2 TYR 101 6.461 4.920 -11.905 753 HE1 TYR 101 HE1 TYR 101 3.320 2.262 -9.214 754 HE2 TYR 101 HE2 TYR 101 7.076 2.650 -11.190 755 HH TYR 101 HH TYR 101 4.758 0.488 -9.800 756 H THR 102 H THR 102 5.457 7.365 -13.948 757 HA THR 102 HA THR 102 6.014 5.024 -15.694 758 HB THR 102 HB THR 102 7.095 7.868 -15.953 759 HG1 THR 102 HG1 THR 102 5.090 6.615 -17.545 760 HG21 THR 102 HG21 THR 102 7.193 5.526 -17.904 761 HG22 THR 102 HG22 THR 102 8.574 6.167 -17.012 762 HG23 THR 102 HG23 THR 102 7.776 7.158 -18.236 763 H SER 103 H SER 103 7.497 3.657 -14.785 764 HA SER 103 HA SER 103 9.225 4.231 -12.648 765 HB2 SER 103 HB2 SER 103 10.274 2.045 -13.061 766 HB3 SER 103 HB3 SER 103 8.528 1.914 -13.266 767 HG SER 103 HG SER 103 8.780 1.532 -15.343 768 H THR 104 H THR 104 11.062 5.335 -12.547 769 HA THR 104 HA THR 104 12.401 6.507 -14.770 770 HB THR 104 HB THR 104 13.979 7.420 -13.058 771 HG1 THR 104 HG1 THR 104 12.797 6.598 -10.805 772 HG21 THR 104 HG21 THR 104 11.065 7.558 -12.169 773 HG22 THR 104 HG22 THR 104 11.813 8.589 -13.393 774 HG23 THR 104 HG23 THR 104 12.341 8.692 -11.714 775 H THR 105 H THR 105 12.893 3.503 -13.073 776 HA THR 105 HA THR 105 15.724 3.233 -13.775 777 HB THR 105 HB THR 105 14.839 2.454 -11.545 778 HG1 THR 105 HG1 THR 105 15.957 0.269 -12.985 779 HG21 THR 105 HG21 THR 105 13.620 0.159 -13.135 780 HG22 THR 105 HG22 THR 105 12.709 1.414 -12.293 781 HG23 THR 105 HG23 THR 105 13.699 0.276 -11.377 782 H SER 106 H SER 106 12.827 2.532 -15.387 783 HA SER 106 HA SER 106 14.112 0.523 -17.170 784 HB2 SER 106 HB2 SER 106 11.256 0.337 -16.091 785 HB3 SER 106 HB3 SER 106 11.976 -0.759 -17.271 786 HG SER 106 HG SER 106 13.400 -1.480 -15.704 787 H GLY 107 H GLY 107 11.581 2.981 -16.767 788 HA2 GLY 107 HA2 GLY 107 10.899 4.561 -18.398 789 HA3 GLY 107 HA3 GLY 107 11.507 3.514 -19.669 790 H GLU 108 H GLU 108 9.882 1.538 -17.635 791 HA GLU 108 HA GLU 108 7.566 1.271 -19.355 792 HB2 GLU 108 HB2 GLU 108 8.692 -0.740 -18.539 793 HB3 GLU 108 HB3 GLU 108 8.453 -0.255 -16.868 794 HG2 GLU 108 HG2 GLU 108 6.898 -2.020 -17.417 795 HG3 GLU 108 HG3 GLU 108 6.002 -0.528 -17.160 796 H LYS 109 H LYS 109 5.425 1.741 -18.840 797 HA LYS 109 HA LYS 109 4.943 3.424 -16.460 798 HB2 LYS 109 HB2 LYS 109 4.319 4.339 -18.688 799 HB3 LYS 109 HB3 LYS 109 3.187 3.008 -18.918 800 HG2 LYS 109 HG2 LYS 109 1.824 3.795 -17.035 801 HG3 LYS 109 HG3 LYS 109 3.007 5.052 -16.671 802 HD2 LYS 109 HD2 LYS 109 1.104 6.037 -17.845 803 HD3 LYS 109 HD3 LYS 109 2.543 6.119 -18.865 804 HE2 LYS 109 HE2 LYS 109 1.739 4.103 -20.103 805 HE3 LYS 109 HE3 LYS 109 0.272 4.107 -19.119 806 HZ1 LYS 109 HZ1 LYS 109 1.169 6.215 -21.000 807 HZ2 LYS 109 HZ2 LYS 109 -0.164 6.365 -19.969 808 HZ3 LYS 109 HZ3 LYS 109 -0.160 5.185 -21.181 809 H VAL 110 H VAL 110 3.580 2.858 -14.894 810 HA VAL 110 HA VAL 110 2.467 0.110 -14.800 811 HB VAL 110 HB VAL 110 3.511 1.791 -12.470 812 HG11 VAL 110 HG11 VAL 110 1.672 0.319 -11.739 813 HG12 VAL 110 HG12 VAL 110 3.209 -0.249 -11.086 814 HG13 VAL 110 HG13 VAL 110 2.478 -1.080 -12.463 815 HG21 VAL 110 HG21 VAL 110 4.751 -0.662 -13.785 816 HG22 VAL 110 HG22 VAL 110 5.363 0.150 -12.340 817 HG23 VAL 110 HG23 VAL 110 5.360 0.995 -13.890 818 H LYS 111 H LYS 111 0.339 -0.085 -14.365 819 HA LYS 111 HA LYS 111 -1.264 2.382 -14.093 820 HB2 LYS 111 HB2 LYS 111 -1.897 -0.311 -15.372 821 HB3 LYS 111 HB3 LYS 111 -3.142 0.881 -15.041 822 HG2 LYS 111 HG2 LYS 111 -2.560 1.075 -17.350 823 HG3 LYS 111 HG3 LYS 111 -1.934 2.502 -16.525 824 HD2 LYS 111 HD2 LYS 111 -0.292 1.704 -18.156 825 HD3 LYS 111 HD3 LYS 111 0.344 1.477 -16.527 826 HE2 LYS 111 HE2 LYS 111 0.855 -0.489 -17.872 827 HE3 LYS 111 HE3 LYS 111 -0.323 -0.930 -16.637 828 HZ1 LYS 111 HZ1 LYS 111 -0.943 -1.892 -18.722 829 HZ2 LYS 111 HZ2 LYS 111 -0.879 -0.394 -19.503 830 HZ3 LYS 111 HZ3 LYS 111 -2.062 -0.687 -18.337 831 H ASN 112 H ASN 112 -2.648 2.655 -12.458 832 HA ASN 112 HA ASN 112 -3.821 2.432 -10.525 833 HB2 ASN 112 HB2 ASN 112 -4.269 -0.410 -11.516 834 HB3 ASN 112 HB3 ASN 112 -5.246 0.405 -10.302 835 HD21 ASN 112 HD21 ASN 112 -5.255 2.987 -11.772 836 HD22 ASN 112 HD22 ASN 112 -6.326 2.733 -13.094 837 H HIS 113 H HIS 113 -1.103 2.166 -10.038 838 HA HIS 113 HA HIS 113 -0.307 -0.018 -8.451 839 HB2 HIS 113 HB2 HIS 113 1.289 1.601 -9.407 840 HB3 HIS 113 HB3 HIS 113 0.664 2.869 -8.355 841 HD2 HIS 113 HD2 HIS 113 1.702 2.904 -5.793 842 HE1 HIS 113 HE1 HIS 113 4.153 -0.508 -6.265 843 HE2 HIS 113 HE2 HIS 113 3.398 1.307 -4.671 844 H LYS 114 H LYS 114 -0.571 -0.557 -6.338 845 HA LYS 114 HA LYS 114 -1.937 1.273 -4.451 846 HB2 LYS 114 HB2 LYS 114 -2.628 -1.673 -4.874 847 HB3 LYS 114 HB3 LYS 114 -3.373 -0.599 -3.691 848 HG2 LYS 114 HG2 LYS 114 -4.320 0.764 -5.519 849 HG3 LYS 114 HG3 LYS 114 -3.563 -0.302 -6.709 850 HD2 LYS 114 HD2 LYS 114 -4.925 -2.208 -5.777 851 HD3 LYS 114 HD3 LYS 114 -5.746 -1.054 -4.718 852 HE2 LYS 114 HE2 LYS 114 -7.117 -1.481 -6.691 853 HE3 LYS 114 HE3 LYS 114 -6.534 0.182 -6.741 854 HZ1 LYS 114 HZ1 LYS 114 -4.807 -0.530 -8.289 855 HZ2 LYS 114 HZ2 LYS 114 -6.347 -0.889 -8.887 856 HZ3 LYS 114 HZ3 LYS 114 -5.389 -2.118 -8.231 857 H TRP 115 H TRP 115 -0.132 -0.125 -1.691 858 HA TRP 115 HA TRP 115 -1.551 2.120 -3.006 859 HB2 TRP 115 HB2 TRP 115 -1.459 1.347 -0.055 860 HB3 TRP 115 HB3 TRP 115 -2.245 2.792 -0.677 861 HD1 TRP 115 HD1 TRP 115 -2.940 -0.799 0.074 862 HE1 TRP 115 HE1 TRP 115 -5.280 -1.424 -0.741 863 HE3 TRP 115 HE3 TRP 115 -3.944 3.321 -2.795 864 HZ2 TRP 115 HZ2 TRP 115 -7.297 -0.358 -2.384 865 HZ3 TRP 115 HZ3 TRP 115 -6.106 3.432 -3.964 866 HH2 TRP 115 HH2 TRP 115 -7.750 1.631 -3.759 867 H VAL 116 H VAL 116 -0.820 4.179 -2.805 868 HA VAL 116 HA VAL 116 1.681 4.730 -1.291 869 HB VAL 116 HB VAL 116 2.116 6.629 -2.901 870 HG11 VAL 116 HG11 VAL 116 2.072 3.863 -4.174 871 HG12 VAL 116 HG12 VAL 116 3.354 4.523 -3.156 872 HG13 VAL 116 HG13 VAL 116 3.031 5.237 -4.736 873 HG21 VAL 116 HG21 VAL 116 -0.177 6.924 -3.785 874 HG22 VAL 116 HG22 VAL 116 -0.082 5.355 -4.589 875 HG23 VAL 116 HG23 VAL 116 0.976 6.674 -5.098 876 H THR 117 H THR 117 1.734 6.714 -0.137 877 HA THR 117 HA THR 117 -0.928 7.719 0.632 878 HB THR 117 HB THR 117 0.163 8.623 2.655 879 HG1 THR 117 HG1 THR 117 2.576 7.366 1.812 880 HG21 THR 117 HG21 THR 117 -0.659 6.304 2.717 881 HG22 THR 117 HG22 THR 117 0.791 6.486 3.707 882 HG23 THR 117 HG23 THR 117 0.899 5.729 2.117 883 H GLU 118 H GLU 118 -1.203 9.959 1.179 884 HA GLU 118 HA GLU 118 -0.494 11.892 -0.739 885 HB2 GLU 118 HB2 GLU 118 -2.499 11.947 0.743 886 HB3 GLU 118 HB3 GLU 118 -1.465 12.231 2.136 887 HG2 GLU 118 HG2 GLU 118 -0.832 14.424 1.244 888 HG3 GLU 118 HG3 GLU 118 -1.795 14.128 -0.209 889 H ASP 119 H ASP 119 0.941 10.980 2.326 890 HA ASP 119 HA ASP 119 2.734 13.112 2.752 891 HB2 ASP 119 HB2 ASP 119 1.980 11.430 4.466 892 HB3 ASP 119 HB3 ASP 119 2.988 10.219 3.679 893 H GLU 120 H GLU 120 3.056 10.132 0.830 894 HA GLU 120 HA GLU 120 5.949 10.589 0.423 895 HB2 GLU 120 HB2 GLU 120 6.099 8.319 -0.326 896 HB3 GLU 120 HB3 GLU 120 5.155 8.334 1.157 897 HG2 GLU 120 HG2 GLU 120 3.079 8.127 -0.197 898 HG3 GLU 120 HG3 GLU 120 4.064 8.045 -1.662 899 H LEU 121 H LEU 121 3.389 11.861 -0.974 900 HA LEU 121 HA LEU 121 4.509 11.827 -3.727 901 HB2 LEU 121 HB2 LEU 121 1.601 12.278 -2.890 902 HB3 LEU 121 HB3 LEU 121 2.211 12.396 -4.534 903 HG LEU 121 HG LEU 121 2.099 9.835 -2.878 904 HD11 LEU 121 HD11 LEU 121 0.358 10.696 -5.218 905 HD12 LEU 121 HD12 LEU 121 -0.144 10.575 -3.530 906 HD13 LEU 121 HD13 LEU 121 0.311 9.122 -4.413 907 HD21 LEU 121 HD21 LEU 121 2.927 10.228 -5.777 908 HD22 LEU 121 HD22 LEU 121 2.722 8.671 -4.966 909 HD23 LEU 121 HD23 LEU 121 3.984 9.779 -4.434 910 H SER 122 H SER 122 4.232 13.945 -4.850 911 HA SER 122 HA SER 122 3.757 16.318 -3.130 912 HB2 SER 122 HB2 SER 122 6.206 15.943 -4.928 913 HB3 SER 122 HB3 SER 122 5.767 17.457 -4.139 914 HG SER 122 HG SER 122 6.206 16.558 -2.173 915 H ALA 123 H ALA 123 2.265 17.584 -4.122 916 HA ALA 123 HA ALA 123 1.379 17.070 -6.803 917 HB1 ALA 123 HB1 ALA 123 -0.268 18.846 -6.388 918 HB2 ALA 123 HB2 ALA 123 0.580 19.312 -4.912 919 HB3 ALA 123 HB3 ALA 123 -0.193 17.731 -5.023 920 H LYS 124 H LYS 124 2.368 17.805 -8.601 921 HA LYS 124 HA LYS 124 3.842 20.384 -8.516 922 HB2 LYS 124 HB2 LYS 124 5.431 18.545 -8.656 923 HB3 LYS 124 HB3 LYS 124 4.568 17.838 -10.018 924 HG2 LYS 124 HG2 LYS 124 5.202 19.653 -11.474 925 HG3 LYS 124 HG3 LYS 124 5.860 20.586 -10.129 926 HD2 LYS 124 HD2 LYS 124 6.982 17.937 -11.134 927 HD3 LYS 124 HD3 LYS 124 7.619 19.530 -11.549 928 HE2 LYS 124 HE2 LYS 124 8.041 19.924 -9.092 929 HE3 LYS 124 HE3 LYS 124 7.565 18.250 -8.790 930 HZ1 LYS 124 HZ1 LYS 124 9.938 18.445 -8.933 931 HZ2 LYS 124 HZ2 LYS 124 9.841 19.165 -10.460 932 HZ3 LYS 124 HZ3 LYS 124 9.381 17.551 -10.257 933 H LEU 125 H LEU 125 2.911 21.881 -9.696 934 HA LEU 125 HA LEU 125 1.432 21.228 -12.165 935 HB2 LEU 125 HB2 LEU 125 0.424 23.386 -12.075 936 HB3 LEU 125 HB3 LEU 125 0.325 22.731 -10.453 937 HG LEU 125 HG LEU 125 2.394 24.812 -11.312 938 HD11 LEU 125 HD11 LEU 125 0.151 25.759 -11.521 939 HD12 LEU 125 HD12 LEU 125 1.013 26.484 -10.169 940 HD13 LEU 125 HD13 LEU 125 -0.235 25.270 -9.868 941 HD21 LEU 125 HD21 LEU 125 3.077 23.518 -9.330 942 HD22 LEU 125 HD22 LEU 125 1.564 23.933 -8.524 943 HD23 LEU 125 HD23 LEU 125 2.735 25.197 -8.916 944 H GLU 126 H GLU 126 1.738 23.161 -13.845 945 HA GLU 126 HA GLU 126 4.333 22.945 -14.962 946 HB2 GLU 126 HB2 GLU 126 2.132 24.933 -15.638 947 HB3 GLU 126 HB3 GLU 126 3.490 24.504 -16.679 948 HG2 GLU 126 HG2 GLU 126 2.631 22.249 -16.960 949 HG3 GLU 126 HG3 GLU 126 1.368 22.530 -15.761 950 H HIS 127 H HIS 127 6.051 24.382 -15.065 951 HA HIS 127 HA HIS 127 6.349 26.414 -13.040 952 HB2 HIS 127 HB2 HIS 127 8.131 25.596 -15.369 953 HB3 HIS 127 HB3 HIS 127 8.587 26.806 -14.173 954 HD1 HIS 127 HD1 HIS 127 10.181 25.822 -12.578 955 HD2 HIS 127 HD2 HIS 127 7.324 23.050 -13.748 956 HE1 HIS 127 HE1 HIS 127 10.738 23.724 -11.332 957 HE2 HIS 127 HE2 HIS 127 8.872 22.148 -11.889 958 H HIS 128 H HIS 128 6.972 28.693 -13.526 959 HA HIS 128 HA HIS 128 4.978 29.917 -15.180 960 HB2 HIS 128 HB2 HIS 128 5.757 30.858 -12.991 961 HB3 HIS 128 HB3 HIS 128 7.305 31.254 -13.728 962 HD1 HIS 128 HD1 HIS 128 7.448 33.592 -14.579 963 HD2 HIS 128 HD2 HIS 128 3.511 32.284 -14.404 964 HE1 HIS 128 HE1 HIS 128 6.060 35.575 -15.205 965 HE2 HIS 128 HE2 HIS 128 3.690 34.754 -15.152 966 H HIS 129 H HIS 129 5.517 29.068 -17.237 967 HA HIS 129 HA HIS 129 7.495 30.658 -18.758 968 HB2 HIS 129 HB2 HIS 129 8.292 28.269 -18.323 969 HB3 HIS 129 HB3 HIS 129 6.920 27.698 -19.263 970 HD1 HIS 129 HD1 HIS 129 7.492 27.241 -21.645 971 HD2 HIS 129 HD2 HIS 129 10.013 30.112 -20.003 972 HE1 HIS 129 HE1 HIS 129 9.174 27.755 -23.432 973 HE2 HIS 129 HE2 HIS 129 10.732 29.431 -22.396 974 H HIS 130 H HIS 130 4.296 29.512 -18.352 975 HA HIS 130 HA HIS 130 3.265 30.033 -20.977 976 HB2 HIS 130 HB2 HIS 130 1.969 29.824 -18.235 977 HB3 HIS 130 HB3 HIS 130 1.030 30.262 -19.655 978 HD1 HIS 130 HD1 HIS 130 -0.027 28.365 -20.817 979 HD2 HIS 130 HD2 HIS 130 3.298 27.143 -18.642 980 HE1 HIS 130 HE1 HIS 130 0.033 25.866 -21.030 981 HE2 HIS 130 HE2 HIS 130 1.962 25.141 -19.593 982 H HIS 131 H HIS 131 1.742 31.833 -21.439 983 HA HIS 131 HA HIS 131 2.968 34.396 -20.813 984 HB2 HIS 131 HB2 HIS 131 0.670 33.723 -22.706 985 HB3 HIS 131 HB3 HIS 131 1.498 35.275 -22.610 986 HD1 HIS 131 HD1 HIS 131 1.447 32.385 -24.625 987 HD2 HIS 131 HD2 HIS 131 4.504 34.754 -23.117 988 HE1 HIS 131 HE1 HIS 131 3.410 31.968 -26.123 989 HE2 HIS 131 HE2 HIS 131 5.152 33.596 -25.335 990 H HIS 132 H HIS 132 2.305 34.323 -18.525 991 HA HIS 132 HA HIS 132 0.075 36.049 -18.023 992 HB2 HIS 132 HB2 HIS 132 -1.122 33.836 -18.197 993 HB3 HIS 132 HB3 HIS 132 -0.180 33.243 -16.836 994 HD1 HIS 132 HD1 HIS 132 -0.723 34.286 -14.490 995 HD2 HIS 132 HD2 HIS 132 -3.307 35.439 -17.531 996 HE1 HIS 132 HE1 HIS 132 -2.719 35.273 -13.332 997 HE2 HIS 132 HE2 HIS 132 -4.319 35.837 -15.182 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -3.070 15.054 -2.004 2 H2 MET 1 H2 MET 1 -4.187 13.794 -2.156 3 H3 MET 1 H3 MET 1 -4.718 15.397 -2.126 4 HA MET 1 HA MET 1 -3.632 15.861 -4.196 5 HB2 MET 1 HB2 MET 1 -2.956 12.883 -4.264 6 HB3 MET 1 HB3 MET 1 -2.574 14.076 -5.505 7 HG2 MET 1 HG2 MET 1 -1.402 13.883 -2.728 8 HG3 MET 1 HG3 MET 1 -0.582 13.604 -4.268 9 HE1 MET 1 HE1 MET 1 1.250 15.295 -2.972 10 HE2 MET 1 HE2 MET 1 0.116 15.704 -1.684 11 HE3 MET 1 HE3 MET 1 0.881 16.985 -2.625 12 H LYS 2 H LYS 2 -5.626 16.313 -5.051 13 HA LYS 2 HA LYS 2 -7.792 14.435 -5.091 14 HB2 LYS 2 HB2 LYS 2 -9.101 16.150 -6.249 15 HB3 LYS 2 HB3 LYS 2 -8.259 16.845 -4.873 16 HG2 LYS 2 HG2 LYS 2 -7.130 17.077 -7.672 17 HG3 LYS 2 HG3 LYS 2 -8.383 18.183 -7.101 18 HD2 LYS 2 HD2 LYS 2 -6.892 18.865 -5.219 19 HD3 LYS 2 HD3 LYS 2 -5.637 17.784 -5.840 20 HE2 LYS 2 HE2 LYS 2 -5.252 20.135 -6.514 21 HE3 LYS 2 HE3 LYS 2 -5.505 19.088 -7.910 22 HZ1 LYS 2 HZ1 LYS 2 -7.526 20.901 -6.703 23 HZ2 LYS 2 HZ2 LYS 2 -7.801 19.867 -8.012 24 HZ3 LYS 2 HZ3 LYS 2 -6.709 21.140 -8.166 25 H VAL 3 H VAL 3 -8.996 13.813 -7.043 26 HA VAL 3 HA VAL 3 -7.325 12.304 -8.768 27 HB VAL 3 HB VAL 3 -10.336 12.759 -8.996 28 HG11 VAL 3 HG11 VAL 3 -8.601 10.550 -10.179 29 HG12 VAL 3 HG12 VAL 3 -9.421 11.827 -11.081 30 HG13 VAL 3 HG13 VAL 3 -10.366 10.598 -10.238 31 HG21 VAL 3 HG21 VAL 3 -9.743 11.863 -6.774 32 HG22 VAL 3 HG22 VAL 3 -8.810 10.565 -7.522 33 HG23 VAL 3 HG23 VAL 3 -10.563 10.622 -7.727 34 H GLY 4 H GLY 4 -6.573 12.655 -10.728 35 HA2 GLY 4 HA2 GLY 4 -6.679 13.437 -12.997 36 HA3 GLY 4 HA3 GLY 4 -7.555 14.858 -12.449 37 H SER 5 H SER 5 -5.346 14.714 -10.152 38 HA SER 5 HA SER 5 -3.618 16.725 -11.362 39 HB2 SER 5 HB2 SER 5 -3.637 15.559 -8.541 40 HB3 SER 5 HB3 SER 5 -2.700 16.963 -9.067 41 HG SER 5 HG SER 5 -4.584 18.094 -9.367 42 H GLN 6 H GLN 6 -1.316 16.615 -11.440 43 HA GLN 6 HA GLN 6 -0.140 13.889 -11.386 44 HB2 GLN 6 HB2 GLN 6 -0.076 15.101 -13.627 45 HB3 GLN 6 HB3 GLN 6 0.986 16.297 -12.891 46 HG2 GLN 6 HG2 GLN 6 2.701 14.614 -12.505 47 HG3 GLN 6 HG3 GLN 6 1.618 13.332 -13.041 48 HE21 GLN 6 HE21 GLN 6 2.943 12.627 -14.694 49 HE22 GLN 6 HE22 GLN 6 3.257 13.552 -16.115 50 H VAL 7 H VAL 7 1.799 13.586 -10.253 51 HA VAL 7 HA VAL 7 2.689 15.695 -8.401 52 HB VAL 7 HB VAL 7 2.565 14.168 -6.454 53 HG11 VAL 7 HG11 VAL 7 -0.133 14.393 -7.840 54 HG12 VAL 7 HG12 VAL 7 0.632 15.636 -6.851 55 HG13 VAL 7 HG13 VAL 7 0.118 14.121 -6.112 56 HG21 VAL 7 HG21 VAL 7 1.215 12.161 -8.311 57 HG22 VAL 7 HG22 VAL 7 1.365 11.988 -6.560 58 HG23 VAL 7 HG23 VAL 7 2.809 11.988 -7.574 59 H ILE 8 H ILE 8 4.805 15.351 -7.526 60 HA ILE 8 HA ILE 8 6.488 13.260 -8.729 61 HB ILE 8 HB ILE 8 7.264 15.549 -6.847 62 HG12 ILE 8 HG12 ILE 8 6.512 16.368 -9.074 63 HG13 ILE 8 HG13 ILE 8 8.223 16.671 -8.809 64 HG21 ILE 8 HG21 ILE 8 8.837 13.675 -6.624 65 HG22 ILE 8 HG22 ILE 8 9.618 15.019 -7.454 66 HG23 ILE 8 HG23 ILE 8 9.066 13.617 -8.375 67 HD11 ILE 8 HD11 ILE 8 7.794 15.972 -11.082 68 HD12 ILE 8 HD12 ILE 8 7.057 14.474 -10.517 69 HD13 ILE 8 HD13 ILE 8 8.779 14.769 -10.253 70 H ILE 9 H ILE 9 6.996 11.463 -7.620 71 HA ILE 9 HA ILE 9 5.830 10.946 -5.002 72 HB ILE 9 HB ILE 9 7.539 9.143 -6.783 73 HG12 ILE 9 HG12 ILE 9 4.485 9.261 -6.641 74 HG13 ILE 9 HG13 ILE 9 5.428 10.071 -7.886 75 HG21 ILE 9 HG21 ILE 9 5.651 8.405 -4.507 76 HG22 ILE 9 HG22 ILE 9 7.414 8.326 -4.459 77 HG23 ILE 9 HG23 ILE 9 6.514 7.265 -5.543 78 HD11 ILE 9 HD11 ILE 9 4.560 8.049 -8.767 79 HD12 ILE 9 HD12 ILE 9 5.194 7.114 -7.422 80 HD13 ILE 9 HD13 ILE 9 6.302 7.850 -8.582 81 H ASN 10 H ASN 10 6.934 11.055 -3.084 82 HA ASN 10 HA ASN 10 9.799 11.759 -3.129 83 HB2 ASN 10 HB2 ASN 10 7.792 11.971 -0.847 84 HB3 ASN 10 HB3 ASN 10 9.442 12.589 -0.833 85 HD21 ASN 10 HD21 ASN 10 7.016 14.047 -0.394 86 HD22 ASN 10 HD22 ASN 10 6.944 15.274 -1.603 87 H THR 11 H THR 11 7.676 9.853 -0.942 88 HA THR 11 HA THR 11 9.838 7.936 -0.384 89 HB THR 11 HB THR 11 7.040 8.243 0.796 90 HG1 THR 11 HG1 THR 11 9.649 8.769 1.824 91 HG21 THR 11 HG21 THR 11 9.187 6.222 1.556 92 HG22 THR 11 HG22 THR 11 7.619 5.852 0.829 93 HG23 THR 11 HG23 THR 11 7.702 6.516 2.463 94 H SER 12 H SER 12 9.719 5.754 -1.003 95 HA SER 12 HA SER 12 7.568 5.009 -2.887 96 HB2 SER 12 HB2 SER 12 9.211 4.137 -4.472 97 HB3 SER 12 HB3 SER 12 9.538 5.838 -4.156 98 HG SER 12 HG SER 12 11.240 5.232 -2.814 99 H HIS 13 H HIS 13 6.882 3.010 -2.781 100 HA HIS 13 HA HIS 13 7.911 1.008 -0.961 101 HB2 HIS 13 HB2 HIS 13 5.617 0.829 -2.975 102 HB3 HIS 13 HB3 HIS 13 5.913 -0.267 -1.627 103 HD2 HIS 13 HD2 HIS 13 4.962 3.564 -2.066 104 HE1 HIS 13 HE1 HIS 13 3.323 2.067 1.509 105 HE2 HIS 13 HE2 HIS 13 3.641 4.104 0.070 106 H MET 14 H MET 14 7.583 1.519 -4.460 107 HA MET 14 HA MET 14 9.489 -0.645 -5.108 108 HB2 MET 14 HB2 MET 14 7.933 1.206 -6.990 109 HB3 MET 14 HB3 MET 14 8.888 -0.192 -7.468 110 HG2 MET 14 HG2 MET 14 7.290 -1.632 -6.192 111 HG3 MET 14 HG3 MET 14 6.299 -0.207 -5.897 112 HE1 MET 14 HE1 MET 14 4.188 -1.509 -7.017 113 HE2 MET 14 HE2 MET 14 5.198 -2.920 -7.344 114 HE3 MET 14 HE3 MET 14 4.235 -2.205 -8.636 115 H LYS 15 H LYS 15 11.649 -0.135 -5.541 116 HA LYS 15 HA LYS 15 12.751 2.371 -5.002 117 HB2 LYS 15 HB2 LYS 15 14.872 1.579 -6.073 118 HB3 LYS 15 HB3 LYS 15 14.205 0.478 -4.880 119 HG2 LYS 15 HG2 LYS 15 13.648 0.011 -7.819 120 HG3 LYS 15 HG3 LYS 15 15.211 -0.441 -7.130 121 HD2 LYS 15 HD2 LYS 15 13.982 -1.817 -5.410 122 HD3 LYS 15 HD3 LYS 15 12.477 -1.467 -6.263 123 HE2 LYS 15 HE2 LYS 15 13.241 -2.672 -8.222 124 HE3 LYS 15 HE3 LYS 15 14.861 -2.849 -7.542 125 HZ1 LYS 15 HZ1 LYS 15 13.941 -4.240 -5.795 126 HZ2 LYS 15 HZ2 LYS 15 13.581 -4.874 -7.318 127 HZ3 LYS 15 HZ3 LYS 15 12.385 -4.070 -6.442 128 H GLY 16 H GLY 16 11.762 1.106 -8.175 129 HA2 GLY 16 HA2 GLY 16 12.781 3.313 -9.723 130 HA3 GLY 16 HA3 GLY 16 11.669 2.076 -10.273 131 H MET 17 H MET 17 10.343 3.416 -7.530 132 HA MET 17 HA MET 17 8.415 4.955 -9.126 133 HB2 MET 17 HB2 MET 17 7.610 3.114 -7.622 134 HB3 MET 17 HB3 MET 17 8.208 4.008 -6.230 135 HG2 MET 17 HG2 MET 17 6.607 5.748 -6.575 136 HG3 MET 17 HG3 MET 17 6.162 5.108 -8.151 137 HE1 MET 17 HE1 MET 17 4.924 3.322 -4.111 138 HE2 MET 17 HE2 MET 17 5.742 4.868 -4.324 139 HE3 MET 17 HE3 MET 17 6.615 3.360 -4.613 140 H LYS 18 H LYS 18 10.942 5.382 -6.766 141 HA LYS 18 HA LYS 18 10.111 7.861 -5.629 142 HB2 LYS 18 HB2 LYS 18 11.771 6.288 -4.596 143 HB3 LYS 18 HB3 LYS 18 12.938 6.736 -5.834 144 HG2 LYS 18 HG2 LYS 18 12.969 9.046 -5.011 145 HG3 LYS 18 HG3 LYS 18 11.714 8.664 -3.834 146 HD2 LYS 18 HD2 LYS 18 13.865 8.709 -2.703 147 HD3 LYS 18 HD3 LYS 18 13.269 7.048 -2.730 148 HE2 LYS 18 HE2 LYS 18 15.674 7.129 -3.236 149 HE3 LYS 18 HE3 LYS 18 14.768 6.542 -4.630 150 HZ1 LYS 18 HZ1 LYS 18 16.499 8.186 -5.187 151 HZ2 LYS 18 HZ2 LYS 18 15.663 9.350 -4.290 152 HZ3 LYS 18 HZ3 LYS 18 14.950 8.673 -5.665 153 H GLY 19 H GLY 19 10.126 9.810 -6.496 154 HA2 GLY 19 HA2 GLY 19 10.935 11.718 -7.582 155 HA3 GLY 19 HA3 GLY 19 12.139 10.744 -8.403 156 H ALA 20 H ALA 20 9.511 8.973 -8.965 157 HA ALA 20 HA ALA 20 9.248 9.813 -11.693 158 HB1 ALA 20 HB1 ALA 20 7.674 7.704 -10.168 159 HB2 ALA 20 HB2 ALA 20 9.183 7.436 -11.043 160 HB3 ALA 20 HB3 ALA 20 7.724 7.894 -11.925 161 H GLU 21 H GLU 21 7.277 10.366 -12.793 162 HA GLU 21 HA GLU 21 5.570 12.198 -11.276 163 HB2 GLU 21 HB2 GLU 21 5.828 11.774 -14.281 164 HB3 GLU 21 HB3 GLU 21 4.779 12.959 -13.518 165 HG2 GLU 21 HG2 GLU 21 6.525 14.336 -13.927 166 HG3 GLU 21 HG3 GLU 21 7.083 13.730 -12.384 167 H ALA 22 H ALA 22 4.026 11.093 -10.238 168 HA ALA 22 HA ALA 22 2.426 9.011 -11.558 169 HB1 ALA 22 HB1 ALA 22 3.098 8.599 -9.255 170 HB2 ALA 22 HB2 ALA 22 1.344 8.740 -9.347 171 HB3 ALA 22 HB3 ALA 22 2.307 10.082 -8.722 172 H THR 23 H THR 23 0.083 9.136 -11.608 173 HA THR 23 HA THR 23 -1.087 11.851 -11.414 174 HB THR 23 HB THR 23 -1.671 9.896 -13.696 175 HG1 THR 23 HG1 THR 23 -0.507 12.463 -13.995 176 HG21 THR 23 HG21 THR 23 -2.984 11.767 -14.669 177 HG22 THR 23 HG22 THR 23 -2.676 12.737 -13.227 178 HG23 THR 23 HG23 THR 23 -3.656 11.272 -13.113 179 H VAL 24 H VAL 24 -2.966 11.880 -10.303 180 HA VAL 24 HA VAL 24 -3.582 9.507 -8.760 181 HB VAL 24 HB VAL 24 -4.856 12.275 -8.594 182 HG11 VAL 24 HG11 VAL 24 -6.214 10.550 -7.474 183 HG12 VAL 24 HG12 VAL 24 -5.479 11.624 -6.284 184 HG13 VAL 24 HG13 VAL 24 -4.806 10.014 -6.549 185 HG21 VAL 24 HG21 VAL 24 -3.256 12.757 -6.776 186 HG22 VAL 24 HG22 VAL 24 -2.408 12.430 -8.287 187 HG23 VAL 24 HG23 VAL 24 -2.474 11.194 -7.028 188 H THR 25 H THR 25 -4.799 8.028 -9.833 189 HA THR 25 HA THR 25 -7.080 8.838 -11.513 190 HB THR 25 HB THR 25 -7.066 6.501 -12.330 191 HG1 THR 25 HG1 THR 25 -5.293 5.134 -11.582 192 HG21 THR 25 HG21 THR 25 -4.854 6.489 -13.455 193 HG22 THR 25 HG22 THR 25 -4.272 7.716 -12.328 194 HG23 THR 25 HG23 THR 25 -5.561 8.109 -13.467 195 H GLY 26 H GLY 26 -6.475 7.777 -8.325 196 HA2 GLY 26 HA2 GLY 26 -9.325 7.564 -7.771 197 HA3 GLY 26 HA3 GLY 26 -8.400 6.097 -7.466 198 H ALA 27 H ALA 27 -9.836 7.891 -5.570 199 HA ALA 27 HA ALA 27 -7.626 8.361 -3.656 200 HB1 ALA 27 HB1 ALA 27 -8.648 10.495 -2.946 201 HB2 ALA 27 HB2 ALA 27 -9.890 10.329 -4.194 202 HB3 ALA 27 HB3 ALA 27 -8.197 10.543 -4.649 203 H TYR 28 H TYR 28 -8.008 7.282 -1.809 204 HA TYR 28 HA TYR 28 -10.769 6.395 -1.118 205 HB2 TYR 28 HB2 TYR 28 -8.165 4.819 -0.843 206 HB3 TYR 28 HB3 TYR 28 -9.746 4.259 -0.321 207 HD1 TYR 28 HD1 TYR 28 -8.010 5.454 -3.466 208 HD2 TYR 28 HD2 TYR 28 -10.912 2.800 -1.781 209 HE1 TYR 28 HE1 TYR 28 -8.314 4.392 -5.664 210 HE2 TYR 28 HE2 TYR 28 -11.213 1.740 -3.977 211 HH TYR 28 HH TYR 28 -10.896 2.266 -6.362 212 H ASP 29 H ASP 29 -11.380 7.235 0.820 213 HA ASP 29 HA ASP 29 -9.370 8.065 2.811 214 HB2 ASP 29 HB2 ASP 29 -11.194 9.382 3.847 215 HB3 ASP 29 HB3 ASP 29 -10.969 9.798 2.153 216 H THR 30 H THR 30 -8.812 6.013 3.617 217 HA THR 30 HA THR 30 -10.818 4.597 5.290 218 HB THR 30 HB THR 30 -10.675 3.388 3.154 219 HG1 THR 30 HG1 THR 30 -10.650 1.500 4.131 220 HG21 THR 30 HG21 THR 30 -8.423 4.067 2.423 221 HG22 THR 30 HG22 THR 30 -8.594 2.310 2.396 222 HG23 THR 30 HG23 THR 30 -7.700 3.087 3.704 223 H THR 31 H THR 31 -9.560 2.759 6.599 224 HA THR 31 HA THR 31 -7.188 3.926 7.899 225 HB THR 31 HB THR 31 -8.568 1.277 8.557 226 HG1 THR 31 HG1 THR 31 -10.138 2.558 9.177 227 HG21 THR 31 HG21 THR 31 -6.294 1.515 9.527 228 HG22 THR 31 HG22 THR 31 -7.534 1.552 10.782 229 HG23 THR 31 HG23 THR 31 -6.767 3.054 10.257 230 H ALA 32 H ALA 32 -5.128 3.262 7.399 231 HA ALA 32 HA ALA 32 -4.692 0.824 5.780 232 HB1 ALA 32 HB1 ALA 32 -2.935 3.295 5.964 233 HB2 ALA 32 HB2 ALA 32 -4.050 2.930 4.643 234 HB3 ALA 32 HB3 ALA 32 -2.659 1.884 4.936 235 H TYR 33 H TYR 33 -2.649 -0.323 6.246 236 HA TYR 33 HA TYR 33 -1.790 -0.201 9.071 237 HB2 TYR 33 HB2 TYR 33 -2.779 -2.727 7.662 238 HB3 TYR 33 HB3 TYR 33 -2.036 -2.689 9.257 239 HD1 TYR 33 HD1 TYR 33 -3.262 -1.614 11.174 240 HD2 TYR 33 HD2 TYR 33 -5.136 -2.182 7.374 241 HE1 TYR 33 HE1 TYR 33 -5.462 -1.272 12.204 242 HE2 TYR 33 HE2 TYR 33 -7.336 -1.835 8.409 243 HH TYR 33 HH TYR 33 -8.365 -2.035 10.683 244 H VAL 34 H VAL 34 0.190 -0.993 9.508 245 HA VAL 34 HA VAL 34 2.030 -1.783 7.322 246 HB VAL 34 HB VAL 34 2.658 -0.816 10.167 247 HG11 VAL 34 HG11 VAL 34 4.545 -1.272 7.821 248 HG12 VAL 34 HG12 VAL 34 4.429 -2.273 9.271 249 HG13 VAL 34 HG13 VAL 34 4.997 -0.608 9.394 250 HG21 VAL 34 HG21 VAL 34 1.665 1.005 8.834 251 HG22 VAL 34 HG22 VAL 34 2.857 0.746 7.560 252 HG23 VAL 34 HG23 VAL 34 3.374 1.322 9.148 253 H VAL 35 H VAL 35 2.117 -4.034 7.187 254 HA VAL 35 HA VAL 35 1.870 -5.629 9.699 255 HB VAL 35 HB VAL 35 0.722 -7.413 8.416 256 HG11 VAL 35 HG11 VAL 35 -1.474 -6.302 8.176 257 HG12 VAL 35 HG12 VAL 35 -0.686 -4.723 8.231 258 HG13 VAL 35 HG13 VAL 35 -0.641 -5.781 9.643 259 HG21 VAL 35 HG21 VAL 35 0.717 -5.447 6.085 260 HG22 VAL 35 HG22 VAL 35 -0.156 -6.982 6.124 261 HG23 VAL 35 HG23 VAL 35 1.609 -6.968 6.161 262 H SER 36 H SER 36 3.077 -7.471 9.935 263 HA SER 36 HA SER 36 5.201 -8.058 7.945 264 HB2 SER 36 HB2 SER 36 6.071 -7.332 10.156 265 HB3 SER 36 HB3 SER 36 5.149 -8.606 10.954 266 HG SER 36 HG SER 36 7.281 -9.260 10.652 267 H TYR 37 H TYR 37 5.342 -10.187 7.192 268 HA TYR 37 HA TYR 37 3.911 -12.381 8.389 269 HB2 TYR 37 HB2 TYR 37 2.477 -12.890 6.397 270 HB3 TYR 37 HB3 TYR 37 2.017 -11.411 7.212 271 HD1 TYR 37 HD2 TYR 37 2.383 -9.202 6.127 272 HD2 TYR 37 HD1 TYR 37 3.318 -12.835 4.069 273 HE1 TYR 37 HE2 TYR 37 2.441 -7.983 3.997 274 HE2 TYR 37 HE1 TYR 37 3.373 -11.611 1.937 275 HH TYR 37 HH TYR 37 3.418 -8.207 1.761 276 H THR 38 H THR 38 4.253 -14.405 7.326 277 HA THR 38 HA THR 38 6.598 -14.495 5.504 278 HB THR 38 HB THR 38 5.560 -16.745 7.294 279 HG1 THR 38 HG1 THR 38 6.580 -15.031 8.471 280 HG21 THR 38 HG21 THR 38 8.087 -16.588 5.593 281 HG22 THR 38 HG22 THR 38 6.677 -17.597 5.259 282 HG23 THR 38 HG23 THR 38 7.663 -17.913 6.687 283 HA PRO 39 HA PRO 39 3.203 -15.061 2.488 284 HB2 PRO 39 HB2 PRO 39 5.591 -16.036 0.897 285 HB3 PRO 39 HB3 PRO 39 4.276 -14.960 0.401 286 HG2 PRO 39 HG2 PRO 39 6.617 -13.914 1.053 287 HG3 PRO 39 HG3 PRO 39 5.125 -13.137 1.627 288 HD2 PRO 39 HD2 PRO 39 7.073 -14.855 3.142 289 HD3 PRO 39 HD3 PRO 39 6.166 -13.426 3.685 290 H THR 40 H THR 40 2.022 -16.723 1.495 291 HA THR 40 HA THR 40 2.046 -19.305 2.635 292 HB THR 40 HB THR 40 0.219 -19.873 1.091 293 HG1 THR 40 HG1 THR 40 -0.329 -18.459 -0.601 294 HG21 THR 40 HG21 THR 40 -0.370 -18.420 3.011 295 HG22 THR 40 HG22 THR 40 -1.373 -18.061 1.606 296 HG23 THR 40 HG23 THR 40 -0.040 -16.986 2.032 297 H ASN 41 H ASN 41 3.563 -18.073 -0.310 298 HA ASN 41 HA ASN 41 4.230 -20.592 -1.490 299 HB2 ASN 41 HB2 ASN 41 5.998 -19.329 -2.750 300 HB3 ASN 41 HB3 ASN 41 4.407 -18.589 -2.855 301 HD21 ASN 41 HD21 ASN 41 4.198 -16.492 -2.246 302 HD22 ASN 41 HD22 ASN 41 5.454 -15.541 -1.546 303 H GLY 42 H GLY 42 5.493 -18.889 1.242 304 HA2 GLY 42 HA2 GLY 42 6.715 -19.749 3.002 305 HA3 GLY 42 HA3 GLY 42 7.005 -21.209 2.075 306 H GLY 43 H GLY 43 7.888 -18.161 0.574 307 HA2 GLY 43 HA2 GLY 43 10.710 -18.896 0.664 308 HA3 GLY 43 HA3 GLY 43 9.975 -17.618 -0.287 309 H GLN 44 H GLN 44 11.001 -15.734 0.276 310 HA GLN 44 HA GLN 44 12.139 -15.219 2.830 311 HB2 GLN 44 HB2 GLN 44 12.592 -12.947 1.911 312 HB3 GLN 44 HB3 GLN 44 13.084 -14.226 0.808 313 HG2 GLN 44 HG2 GLN 44 11.003 -13.865 -0.511 314 HG3 GLN 44 HG3 GLN 44 10.558 -12.551 0.571 315 HE21 GLN 44 HE21 GLN 44 13.299 -11.491 0.752 316 HE22 GLN 44 HE22 GLN 44 13.600 -10.734 -0.765 317 H ARG 45 H ARG 45 11.158 -14.486 4.646 318 HA ARG 45 HA ARG 45 8.539 -13.639 4.989 319 HB2 ARG 45 HB2 ARG 45 10.121 -14.311 6.818 320 HB3 ARG 45 HB3 ARG 45 10.979 -12.786 6.615 321 HG2 ARG 45 HG2 ARG 45 8.808 -11.602 7.228 322 HG3 ARG 45 HG3 ARG 45 8.144 -13.188 7.641 323 HD2 ARG 45 HD2 ARG 45 10.534 -11.817 8.932 324 HD3 ARG 45 HD3 ARG 45 8.946 -12.077 9.659 325 HE ARG 45 HE ARG 45 9.708 -14.596 9.148 326 HH11 ARG 45 HH11 ARG 45 11.479 -12.028 10.671 327 HH12 ARG 45 HH12 ARG 45 12.369 -13.108 11.679 328 HH21 ARG 45 HH21 ARG 45 10.868 -15.937 10.459 329 HH22 ARG 45 HH22 ARG 45 12.023 -15.284 11.565 330 H VAL 46 H VAL 46 7.466 -11.746 4.668 331 HA VAL 46 HA VAL 46 8.936 -9.316 3.816 332 HB VAL 46 HB VAL 46 6.012 -10.059 3.336 333 HG11 VAL 46 HG11 VAL 46 7.604 -7.662 2.315 334 HG12 VAL 46 HG12 VAL 46 6.285 -7.611 3.488 335 HG13 VAL 46 HG13 VAL 46 5.961 -8.081 1.821 336 HG21 VAL 46 HG21 VAL 46 8.360 -10.039 1.392 337 HG22 VAL 46 HG22 VAL 46 6.680 -10.387 0.977 338 HG23 VAL 46 HG23 VAL 46 7.568 -11.479 2.039 339 H ASP 47 H ASP 47 9.222 -7.938 5.451 340 HA ASP 47 HA ASP 47 7.277 -7.768 7.679 341 HB2 ASP 47 HB2 ASP 47 9.126 -6.766 8.995 342 HB3 ASP 47 HB3 ASP 47 9.542 -8.372 8.394 343 H HIS 48 H HIS 48 6.513 -5.771 8.389 344 HA HIS 48 HA HIS 48 5.722 -3.651 8.297 345 HB2 HIS 48 HB2 HIS 48 8.483 -2.993 7.187 346 HB3 HIS 48 HB3 HIS 48 7.398 -1.874 8.001 347 HD1 HIS 48 HD1 HIS 48 10.260 -3.866 8.662 348 HD2 HIS 48 HD2 HIS 48 6.847 -2.950 10.821 349 HE1 HIS 48 HE1 HIS 48 10.833 -4.369 11.047 350 HE2 HIS 48 HE2 HIS 48 8.782 -3.729 12.350 351 H HIS 49 H HIS 49 5.095 -5.238 6.040 352 HA HIS 49 HA HIS 49 5.337 -3.981 3.536 353 HB2 HIS 49 HB2 HIS 49 4.694 -6.367 3.833 354 HB3 HIS 49 HB3 HIS 49 3.141 -5.872 4.497 355 HD2 HIS 49 HD2 HIS 49 1.337 -4.728 2.567 356 HE1 HIS 49 HE1 HIS 49 3.538 -6.191 -0.735 357 HE2 HIS 49 HE2 HIS 49 1.449 -4.967 -0.013 358 H LYS 50 H LYS 50 4.446 -2.178 2.785 359 HA LYS 50 HA LYS 50 1.926 -1.120 3.943 360 HB2 LYS 50 HB2 LYS 50 4.259 0.450 2.787 361 HB3 LYS 50 HB3 LYS 50 2.769 1.142 3.417 362 HG2 LYS 50 HG2 LYS 50 3.385 0.327 5.689 363 HG3 LYS 50 HG3 LYS 50 4.905 -0.303 5.032 364 HD2 LYS 50 HD2 LYS 50 4.015 2.617 5.060 365 HD3 LYS 50 HD3 LYS 50 5.278 1.904 6.067 366 HE2 LYS 50 HE2 LYS 50 6.707 1.558 4.161 367 HE3 LYS 50 HE3 LYS 50 5.413 1.940 3.032 368 HZ1 LYS 50 HZ1 LYS 50 7.069 3.719 3.362 369 HZ2 LYS 50 HZ2 LYS 50 6.513 3.900 4.950 370 HZ3 LYS 50 HZ3 LYS 50 5.473 4.195 3.648 371 H TRP 51 H TRP 51 0.632 -0.255 0.702 372 HA TRP 51 HA TRP 51 0.334 -0.581 3.636 373 HB2 TRP 51 HB2 TRP 51 -1.280 1.148 1.697 374 HB3 TRP 51 HB3 TRP 51 -1.600 1.003 3.422 375 HD1 TRP 51 HD1 TRP 51 0.720 2.743 0.946 376 HE1 TRP 51 HE1 TRP 51 2.157 4.451 2.203 377 HE3 TRP 51 HE3 TRP 51 -0.510 1.486 5.767 378 HZ2 TRP 51 HZ2 TRP 51 2.705 5.198 4.855 379 HZ3 TRP 51 HZ3 TRP 51 0.518 2.759 7.610 380 HH2 TRP 51 HH2 TRP 51 2.098 4.577 7.157 381 H VAL 52 H VAL 52 -1.329 -1.817 4.428 382 HA VAL 52 HA VAL 52 -3.216 -3.058 2.487 383 HB VAL 52 HB VAL 52 -3.540 -4.940 4.103 384 HG11 VAL 52 HG11 VAL 52 -2.001 -5.234 2.203 385 HG12 VAL 52 HG12 VAL 52 -1.432 -6.143 3.604 386 HG13 VAL 52 HG13 VAL 52 -0.656 -4.616 3.170 387 HG21 VAL 52 HG21 VAL 52 -1.918 -5.323 5.937 388 HG22 VAL 52 HG22 VAL 52 -2.829 -3.834 6.189 389 HG23 VAL 52 HG23 VAL 52 -1.166 -3.758 5.605 390 H ILE 53 H ILE 53 -5.387 -2.687 2.875 391 HA ILE 53 HA ILE 53 -5.861 -0.688 5.024 392 HB ILE 53 HB ILE 53 -7.608 0.328 3.687 393 HG12 ILE 53 HG12 ILE 53 -7.007 -1.753 1.529 394 HG13 ILE 53 HG13 ILE 53 -8.479 -1.676 2.491 395 HG21 ILE 53 HG21 ILE 53 -6.227 1.264 1.862 396 HG22 ILE 53 HG22 ILE 53 -5.072 -0.057 2.049 397 HG23 ILE 53 HG23 ILE 53 -5.298 1.109 3.354 398 HD11 ILE 53 HD11 ILE 53 -7.548 0.333 0.441 399 HD12 ILE 53 HD12 ILE 53 -8.985 0.523 1.450 400 HD13 ILE 53 HD13 ILE 53 -8.888 -0.801 0.291 401 H GLN 54 H GLN 54 -8.051 -0.544 5.890 402 HA GLN 54 HA GLN 54 -8.854 -2.751 7.264 403 HB2 GLN 54 HB2 GLN 54 -9.342 -0.390 7.821 404 HB3 GLN 54 HB3 GLN 54 -10.512 -0.318 6.509 405 HG2 GLN 54 HG2 GLN 54 -11.928 -1.955 7.668 406 HG3 GLN 54 HG3 GLN 54 -10.743 -2.074 8.972 407 HE21 GLN 54 HE21 GLN 54 -10.535 -0.333 10.420 408 HE22 GLN 54 HE22 GLN 54 -11.738 0.892 10.545 409 H GLU 55 H GLU 55 -10.275 -1.639 4.147 410 HA GLU 55 HA GLU 55 -12.313 -3.652 4.045 411 HB2 GLU 55 HB2 GLU 55 -12.440 -1.478 2.832 412 HB3 GLU 55 HB3 GLU 55 -11.090 -1.973 1.817 413 HG2 GLU 55 HG2 GLU 55 -12.480 -3.850 0.943 414 HG3 GLU 55 HG3 GLU 55 -13.830 -3.272 1.919 415 H GLU 56 H GLU 56 -8.936 -3.585 3.214 416 HA GLU 56 HA GLU 56 -8.976 -5.717 1.218 417 HB2 GLU 56 HB2 GLU 56 -7.485 -3.764 0.973 418 HB3 GLU 56 HB3 GLU 56 -6.687 -4.134 2.492 419 HG2 GLU 56 HG2 GLU 56 -5.597 -6.035 1.570 420 HG3 GLU 56 HG3 GLU 56 -6.650 -6.050 0.157 421 H ILE 57 H ILE 57 -8.829 -5.470 4.596 422 HA ILE 57 HA ILE 57 -7.735 -8.204 4.991 423 HB ILE 57 HB ILE 57 -8.121 -5.958 7.034 424 HG12 ILE 57 HG12 ILE 57 -5.532 -7.087 5.855 425 HG13 ILE 57 HG13 ILE 57 -6.241 -5.532 5.435 426 HG21 ILE 57 HG21 ILE 57 -6.894 -8.718 7.417 427 HG22 ILE 57 HG22 ILE 57 -8.422 -8.151 8.094 428 HG23 ILE 57 HG23 ILE 57 -6.903 -7.431 8.623 429 HD11 ILE 57 HD11 ILE 57 -5.151 -6.315 8.142 430 HD12 ILE 57 HD12 ILE 57 -5.856 -4.749 7.728 431 HD13 ILE 57 HD13 ILE 57 -4.366 -5.279 6.950 432 H LYS 58 H LYS 58 -9.041 -9.767 5.919 433 HA LYS 58 HA LYS 58 -11.911 -9.443 5.879 434 HB2 LYS 58 HB2 LYS 58 -10.787 -11.517 5.178 435 HB3 LYS 58 HB3 LYS 58 -10.156 -11.756 6.794 436 HG2 LYS 58 HG2 LYS 58 -12.317 -12.284 7.667 437 HG3 LYS 58 HG3 LYS 58 -13.128 -11.699 6.209 438 HD2 LYS 58 HD2 LYS 58 -13.051 -14.182 6.292 439 HD3 LYS 58 HD3 LYS 58 -12.207 -13.527 4.889 440 HE2 LYS 58 HE2 LYS 58 -10.043 -13.769 6.300 441 HE3 LYS 58 HE3 LYS 58 -11.013 -14.766 7.390 442 HZ1 LYS 58 HZ1 LYS 58 -10.526 -15.260 4.499 443 HZ2 LYS 58 HZ2 LYS 58 -11.515 -16.208 5.495 444 HZ3 LYS 58 HZ3 LYS 58 -9.853 -16.115 5.796 445 H ASP 59 H ASP 59 -9.583 -10.304 8.425 446 HA ASP 59 HA ASP 59 -11.431 -10.379 10.571 447 HB2 ASP 59 HB2 ASP 59 -8.401 -10.142 10.633 448 HB3 ASP 59 HB3 ASP 59 -9.416 -10.611 12.002 449 H ALA 60 H ALA 60 -10.175 -7.606 9.008 450 HA ALA 60 HA ALA 60 -9.752 -5.731 10.935 451 HB1 ALA 60 HB1 ALA 60 -11.236 -5.295 8.338 452 HB2 ALA 60 HB2 ALA 60 -9.483 -5.329 8.534 453 HB3 ALA 60 HB3 ALA 60 -10.430 -4.047 9.296 454 H GLY 61 H GLY 61 -13.005 -6.565 9.632 455 HA2 GLY 61 HA2 GLY 61 -15.080 -6.456 10.605 456 HA3 GLY 61 HA3 GLY 61 -14.254 -6.387 12.152 457 H ASP 62 H ASP 62 -13.777 -3.938 9.709 458 HA ASP 62 HA ASP 62 -14.075 -1.721 9.605 459 HB2 ASP 62 HB2 ASP 62 -16.611 -2.235 11.207 460 HB3 ASP 62 HB3 ASP 62 -16.234 -0.726 10.379 461 H LYS 63 H LYS 63 -12.741 -2.972 12.104 462 HA LYS 63 HA LYS 63 -12.763 -0.537 13.826 463 HB2 LYS 63 HB2 LYS 63 -12.199 -1.883 15.757 464 HB3 LYS 63 HB3 LYS 63 -13.600 -2.612 14.984 465 HG2 LYS 63 HG2 LYS 63 -12.163 -4.324 13.970 466 HG3 LYS 63 HG3 LYS 63 -10.744 -3.596 14.729 467 HD2 LYS 63 HD2 LYS 63 -11.642 -4.122 16.955 468 HD3 LYS 63 HD3 LYS 63 -13.121 -4.770 16.234 469 HE2 LYS 63 HE2 LYS 63 -11.777 -6.541 15.121 470 HE3 LYS 63 HE3 LYS 63 -10.318 -5.901 15.883 471 HZ1 LYS 63 HZ1 LYS 63 -11.195 -7.792 17.085 472 HZ2 LYS 63 HZ2 LYS 63 -12.676 -7.010 17.312 473 HZ3 LYS 63 HZ3 LYS 63 -11.280 -6.399 18.044 474 H THR 64 H THR 64 -10.592 -0.533 15.202 475 HA THR 64 HA THR 64 -8.333 -0.384 13.350 476 HB THR 64 HB THR 64 -8.502 0.310 16.319 477 HG1 THR 64 HG1 THR 64 -9.695 1.740 15.096 478 HG21 THR 64 HG21 THR 64 -6.168 -0.240 15.685 479 HG22 THR 64 HG22 THR 64 -6.347 1.484 16.008 480 HG23 THR 64 HG23 THR 64 -6.259 0.906 14.341 481 H LEU 65 H LEU 65 -7.295 -2.263 12.952 482 HA LEU 65 HA LEU 65 -6.911 -4.369 14.869 483 HB2 LEU 65 HB2 LEU 65 -5.481 -3.825 12.243 484 HB3 LEU 65 HB3 LEU 65 -5.443 -5.335 13.142 485 HG LEU 65 HG LEU 65 -7.937 -4.115 11.891 486 HD11 LEU 65 HD11 LEU 65 -7.789 -5.940 10.245 487 HD12 LEU 65 HD12 LEU 65 -6.235 -6.423 10.922 488 HD13 LEU 65 HD13 LEU 65 -6.411 -4.843 10.157 489 HD21 LEU 65 HD21 LEU 65 -9.002 -6.297 12.420 490 HD22 LEU 65 HD22 LEU 65 -8.516 -5.421 13.866 491 HD23 LEU 65 HD23 LEU 65 -7.548 -6.788 13.294 492 H GLN 66 H GLN 66 -5.480 -4.353 16.482 493 HA GLN 66 HA GLN 66 -3.725 -2.028 16.770 494 HB2 GLN 66 HB2 GLN 66 -4.621 -4.114 18.801 495 HB3 GLN 66 HB3 GLN 66 -3.739 -2.631 19.175 496 HG2 GLN 66 HG2 GLN 66 -5.651 -1.288 18.360 497 HG3 GLN 66 HG3 GLN 66 -6.524 -2.771 17.970 498 HE21 GLN 66 HE21 GLN 66 -5.391 -0.712 20.549 499 HE22 GLN 66 HE22 GLN 66 -6.370 -1.401 21.785 500 HA PRO 67 HA PRO 67 0.243 -3.965 16.072 501 HB2 PRO 67 HB2 PRO 67 0.990 -2.682 18.713 502 HB3 PRO 67 HB3 PRO 67 1.873 -2.687 17.176 503 HG2 PRO 67 HG2 PRO 67 0.499 -0.532 17.863 504 HG3 PRO 67 HG3 PRO 67 0.417 -1.118 16.187 505 HD2 PRO 67 HD2 PRO 67 -1.616 -1.391 18.395 506 HD3 PRO 67 HD3 PRO 67 -1.863 -1.093 16.659 507 H GLY 68 H GLY 68 0.555 -6.092 16.313 508 HA2 GLY 68 HA2 GLY 68 1.469 -7.895 17.691 509 HA3 GLY 68 HA3 GLY 68 0.440 -7.366 19.008 510 H ASP 69 H ASP 69 -1.857 -7.081 16.903 511 HA ASP 69 HA ASP 69 -2.890 -9.769 17.292 512 HB2 ASP 69 HB2 ASP 69 -4.096 -7.322 15.936 513 HB3 ASP 69 HB3 ASP 69 -4.956 -8.843 16.180 514 H GLN 70 H GLN 70 -3.650 -11.198 15.638 515 HA GLN 70 HA GLN 70 -2.116 -11.013 13.107 516 HB2 GLN 70 HB2 GLN 70 -3.014 -13.457 14.669 517 HB3 GLN 70 HB3 GLN 70 -2.423 -13.546 13.012 518 HG2 GLN 70 HG2 GLN 70 -0.274 -12.507 13.801 519 HG3 GLN 70 HG3 GLN 70 -0.865 -12.657 15.457 520 HE21 GLN 70 HE21 GLN 70 1.450 -13.919 14.119 521 HE22 GLN 70 HE22 GLN 70 1.242 -15.617 14.342 522 H VAL 71 H VAL 71 -3.130 -11.145 11.191 523 HA VAL 71 HA VAL 71 -6.028 -11.662 11.007 524 HB VAL 71 HB VAL 71 -6.350 -9.582 9.668 525 HG11 VAL 71 HG11 VAL 71 -6.907 -9.514 12.060 526 HG12 VAL 71 HG12 VAL 71 -6.280 -7.952 11.542 527 HG13 VAL 71 HG13 VAL 71 -5.251 -9.050 12.459 528 HG21 VAL 71 HG21 VAL 71 -3.484 -8.885 10.466 529 HG22 VAL 71 HG22 VAL 71 -4.607 -7.794 9.650 530 HG23 VAL 71 HG23 VAL 71 -4.048 -9.253 8.833 531 H ILE 72 H ILE 72 -6.768 -12.066 8.790 532 HA ILE 72 HA ILE 72 -4.646 -13.157 7.031 533 HB ILE 72 HB ILE 72 -7.608 -13.851 7.286 534 HG12 ILE 72 HG12 ILE 72 -6.707 -16.218 7.558 535 HG13 ILE 72 HG13 ILE 72 -5.077 -15.561 7.536 536 HG21 ILE 72 HG21 ILE 72 -5.782 -14.779 5.030 537 HG22 ILE 72 HG22 ILE 72 -7.191 -13.726 4.874 538 HG23 ILE 72 HG23 ILE 72 -7.401 -15.408 5.361 539 HD11 ILE 72 HD11 ILE 72 -5.850 -16.100 9.782 540 HD12 ILE 72 HD12 ILE 72 -7.189 -14.965 9.611 541 HD13 ILE 72 HD13 ILE 72 -5.524 -14.376 9.614 542 H LEU 73 H LEU 73 -4.344 -12.400 5.004 543 HA LEU 73 HA LEU 73 -5.629 -9.899 4.181 544 HB2 LEU 73 HB2 LEU 73 -3.322 -11.436 2.911 545 HB3 LEU 73 HB3 LEU 73 -3.832 -9.806 2.485 546 HG LEU 73 HG LEU 73 -2.623 -10.643 5.163 547 HD11 LEU 73 HD11 LEU 73 -1.412 -9.038 2.890 548 HD12 LEU 73 HD12 LEU 73 -0.962 -10.674 3.381 549 HD13 LEU 73 HD13 LEU 73 -0.664 -9.320 4.468 550 HD21 LEU 73 HD21 LEU 73 -2.564 -8.233 5.700 551 HD22 LEU 73 HD22 LEU 73 -4.215 -8.801 5.472 552 HD23 LEU 73 HD23 LEU 73 -3.423 -7.870 4.198 553 H GLU 74 H GLU 74 -7.418 -9.963 2.889 554 HA GLU 74 HA GLU 74 -8.077 -12.286 1.246 555 HB2 GLU 74 HB2 GLU 74 -9.529 -9.638 1.607 556 HB3 GLU 74 HB3 GLU 74 -10.147 -10.999 0.668 557 HG2 GLU 74 HG2 GLU 74 -9.553 -11.025 3.641 558 HG3 GLU 74 HG3 GLU 74 -11.149 -10.850 2.918 559 H ALA 75 H ALA 75 -6.130 -9.641 0.691 560 HA ALA 75 HA ALA 75 -6.381 -9.960 -2.251 561 HB1 ALA 75 HB1 ALA 75 -7.266 -7.749 -1.568 562 HB2 ALA 75 HB2 ALA 75 -5.808 -7.597 -2.552 563 HB3 ALA 75 HB3 ALA 75 -5.719 -7.374 -0.803 564 H SER 76 H SER 76 -4.322 -9.065 -3.333 565 HA SER 76 HA SER 76 -1.853 -9.518 -1.844 566 HB2 SER 76 HB2 SER 76 -1.070 -11.238 -3.493 567 HB3 SER 76 HB3 SER 76 -2.442 -11.787 -2.546 568 HG SER 76 HG SER 76 -2.499 -10.811 -5.209 569 H HIS 77 H HIS 77 -0.465 -7.985 -2.454 570 HA HIS 77 HA HIS 77 -0.595 -6.592 -4.998 571 HB2 HIS 77 HB2 HIS 77 1.500 -6.399 -2.782 572 HB3 HIS 77 HB3 HIS 77 1.268 -5.256 -4.100 573 HD2 HIS 77 HD2 HIS 77 -2.230 -5.714 -3.008 574 HE1 HIS 77 HE1 HIS 77 -0.604 -2.911 -0.288 575 HE2 HIS 77 HE2 HIS 77 -2.698 -4.121 -1.011 576 H MET 78 H MET 78 0.826 -9.450 -3.837 577 HA MET 78 HA MET 78 2.402 -9.932 -6.215 578 HB2 MET 78 HB2 MET 78 4.529 -10.379 -4.934 579 HB3 MET 78 HB3 MET 78 4.057 -8.685 -4.955 580 HG2 MET 78 HG2 MET 78 3.104 -8.944 -2.675 581 HG3 MET 78 HG3 MET 78 3.693 -10.614 -2.655 582 HE1 MET 78 HE1 MET 78 6.091 -8.628 -0.216 583 HE2 MET 78 HE2 MET 78 4.940 -9.957 -0.342 584 HE3 MET 78 HE3 MET 78 4.383 -8.290 -0.505 585 H LYS 79 H LYS 79 3.741 -12.162 -5.705 586 HA LYS 79 HA LYS 79 1.709 -14.136 -5.479 587 HB2 LYS 79 HB2 LYS 79 3.511 -15.788 -5.840 588 HB3 LYS 79 HB3 LYS 79 3.611 -14.450 -6.975 589 HG2 LYS 79 HG2 LYS 79 5.481 -13.475 -5.724 590 HG3 LYS 79 HG3 LYS 79 5.345 -14.735 -4.497 591 HD2 LYS 79 HD2 LYS 79 7.202 -15.220 -6.032 592 HD3 LYS 79 HD3 LYS 79 5.946 -16.451 -6.165 593 HE2 LYS 79 HE2 LYS 79 5.099 -15.338 -8.224 594 HE3 LYS 79 HE3 LYS 79 6.388 -14.139 -8.093 595 HZ1 LYS 79 HZ1 LYS 79 6.791 -17.059 -8.449 596 HZ2 LYS 79 HZ2 LYS 79 8.008 -15.885 -8.381 597 HZ3 LYS 79 HZ3 LYS 79 6.916 -15.894 -9.667 598 H GLY 80 H GLY 80 1.086 -15.462 -3.869 599 HA2 GLY 80 HA2 GLY 80 0.996 -16.640 -1.907 600 HA3 GLY 80 HA3 GLY 80 2.694 -16.281 -1.653 601 H MET 81 H MET 81 0.583 -13.555 -2.031 602 HA MET 81 HA MET 81 0.990 -12.822 0.778 603 HB2 MET 81 HB2 MET 81 1.589 -11.166 -0.899 604 HB3 MET 81 HB3 MET 81 -0.006 -11.254 -1.625 605 HG2 MET 81 HG2 MET 81 -0.990 -10.251 0.384 606 HG3 MET 81 HG3 MET 81 0.607 -10.191 1.141 607 HE1 MET 81 HE1 MET 81 -0.057 -7.526 1.521 608 HE2 MET 81 HE2 MET 81 -1.532 -7.717 0.570 609 HE3 MET 81 HE3 MET 81 -0.382 -6.436 0.176 610 H LYS 82 H LYS 82 -1.734 -13.236 -1.516 611 HA LYS 82 HA LYS 82 -3.825 -12.818 0.367 612 HB2 LYS 82 HB2 LYS 82 -4.046 -12.748 -2.170 613 HB3 LYS 82 HB3 LYS 82 -4.017 -14.507 -2.165 614 HG2 LYS 82 HG2 LYS 82 -6.074 -14.571 -0.845 615 HG3 LYS 82 HG3 LYS 82 -6.060 -12.817 -0.694 616 HD2 LYS 82 HD2 LYS 82 -7.578 -12.997 -2.422 617 HD3 LYS 82 HD3 LYS 82 -6.098 -12.926 -3.380 618 HE2 LYS 82 HE2 LYS 82 -7.550 -15.475 -2.574 619 HE3 LYS 82 HE3 LYS 82 -7.674 -14.692 -4.147 620 HZ1 LYS 82 HZ1 LYS 82 -5.199 -15.841 -2.973 621 HZ2 LYS 82 HZ2 LYS 82 -5.320 -15.109 -4.493 622 HZ3 LYS 82 HZ3 LYS 82 -6.147 -16.546 -4.187 623 H GLY 83 H GLY 83 -4.687 -14.138 1.882 624 HA2 GLY 83 HA2 GLY 83 -5.417 -16.163 2.842 625 HA3 GLY 83 HA3 GLY 83 -4.311 -17.055 1.811 626 H ALA 84 H ALA 84 -2.279 -14.810 2.694 627 HA ALA 84 HA ALA 84 -0.976 -16.363 4.710 628 HB1 ALA 84 HB1 ALA 84 -0.289 -13.580 3.691 629 HB2 ALA 84 HB2 ALA 84 0.316 -15.106 3.041 630 HB3 ALA 84 HB3 ALA 84 0.759 -14.609 4.674 631 H THR 85 H THR 85 -0.680 -15.971 6.842 632 HA THR 85 HA THR 85 -2.536 -14.150 8.227 633 HB THR 85 HB THR 85 -0.691 -16.302 9.381 634 HG1 THR 85 HG1 THR 85 -3.245 -16.867 9.790 635 HG21 THR 85 HG21 THR 85 -1.115 -14.545 11.064 636 HG22 THR 85 HG22 THR 85 -2.000 -16.014 11.482 637 HG23 THR 85 HG23 THR 85 -2.851 -14.649 10.757 638 H ALA 86 H ALA 86 -1.736 -12.115 8.358 639 HA ALA 86 HA ALA 86 1.098 -11.601 8.911 640 HB1 ALA 86 HB1 ALA 86 -0.013 -10.357 7.084 641 HB2 ALA 86 HB2 ALA 86 0.514 -9.267 8.364 642 HB3 ALA 86 HB3 ALA 86 -1.192 -9.708 8.229 643 H GLU 87 H GLU 87 1.566 -9.882 10.535 644 HA GLU 87 HA GLU 87 -0.395 -9.604 12.716 645 HB2 GLU 87 HB2 GLU 87 1.617 -9.453 14.327 646 HB3 GLU 87 HB3 GLU 87 1.136 -11.051 13.783 647 HG2 GLU 87 HG2 GLU 87 3.294 -9.695 12.210 648 HG3 GLU 87 HG3 GLU 87 3.711 -10.195 13.847 649 H ILE 88 H ILE 88 -0.578 -7.574 13.576 650 HA ILE 88 HA ILE 88 0.123 -5.413 11.828 651 HB ILE 88 HB ILE 88 -1.131 -5.198 14.604 652 HG12 ILE 88 HG12 ILE 88 -2.457 -6.779 13.221 653 HG13 ILE 88 HG13 ILE 88 -3.349 -5.296 13.532 654 HG21 ILE 88 HG21 ILE 88 -1.272 -3.292 12.230 655 HG22 ILE 88 HG22 ILE 88 -0.348 -3.041 13.714 656 HG23 ILE 88 HG23 ILE 88 -2.110 -3.082 13.772 657 HD11 ILE 88 HD11 ILE 88 -1.952 -6.012 10.953 658 HD12 ILE 88 HD12 ILE 88 -2.862 -4.530 11.260 659 HD13 ILE 88 HD13 ILE 88 -3.685 -6.088 11.267 660 H ASP 89 H ASP 89 2.064 -4.386 11.854 661 HA ASP 89 HA ASP 89 3.728 -4.167 14.236 662 HB2 ASP 89 HB2 ASP 89 4.112 -2.839 11.520 663 HB3 ASP 89 HB3 ASP 89 5.327 -3.017 12.786 664 H SER 90 H SER 90 1.679 -2.111 12.202 665 HA SER 90 HA SER 90 1.270 -0.140 14.290 666 HB2 SER 90 HB2 SER 90 2.662 0.705 11.703 667 HB3 SER 90 HB3 SER 90 1.972 1.828 12.879 668 HG SER 90 HG SER 90 3.446 0.620 14.417 669 H ALA 91 H ALA 91 -0.510 1.262 13.862 670 HA ALA 91 HA ALA 91 -2.126 0.715 11.419 671 HB1 ALA 91 HB1 ALA 91 -4.167 0.923 12.799 672 HB2 ALA 91 HB2 ALA 91 -3.181 1.145 14.249 673 HB3 ALA 91 HB3 ALA 91 -3.145 -0.390 13.378 674 H GLU 92 H GLU 92 -3.249 2.515 10.535 675 HA GLU 92 HA GLU 92 -3.038 5.182 11.713 676 HB2 GLU 92 HB2 GLU 92 -0.811 4.796 10.597 677 HB3 GLU 92 HB3 GLU 92 -1.638 4.550 9.068 678 HG2 GLU 92 HG2 GLU 92 -2.440 6.864 9.100 679 HG3 GLU 92 HG3 GLU 92 -1.694 7.119 10.675 680 H LYS 93 H LYS 93 -4.821 6.411 11.102 681 HA LYS 93 HA LYS 93 -6.539 5.485 8.889 682 HB2 LYS 93 HB2 LYS 93 -6.978 7.701 10.946 683 HB3 LYS 93 HB3 LYS 93 -8.094 7.348 9.636 684 HG2 LYS 93 HG2 LYS 93 -9.026 6.331 11.551 685 HG3 LYS 93 HG3 LYS 93 -8.340 5.009 10.601 686 HD2 LYS 93 HD2 LYS 93 -6.396 4.902 12.105 687 HD3 LYS 93 HD3 LYS 93 -6.984 6.304 13.005 688 HE2 LYS 93 HE2 LYS 93 -8.995 4.995 13.672 689 HE3 LYS 93 HE3 LYS 93 -8.342 3.589 12.826 690 HZ1 LYS 93 HZ1 LYS 93 -7.064 4.986 15.115 691 HZ2 LYS 93 HZ2 LYS 93 -6.440 3.639 14.309 692 HZ3 LYS 93 HZ3 LYS 93 -7.878 3.504 15.187 693 H THR 94 H THR 94 -5.601 6.056 6.997 694 HA THR 94 HA THR 94 -4.848 8.871 6.490 695 HB THR 94 HB THR 94 -2.739 7.827 7.071 696 HG1 THR 94 HG1 THR 94 -1.609 8.175 5.129 697 HG21 THR 94 HG21 THR 94 -3.318 5.697 4.979 698 HG22 THR 94 HG22 THR 94 -3.337 5.456 6.729 699 HG23 THR 94 HG23 THR 94 -1.827 5.861 5.910 700 H THR 95 H THR 95 -4.772 9.435 4.197 701 HA THR 95 HA THR 95 -6.789 7.979 2.657 702 HB THR 95 HB THR 95 -5.340 10.576 1.953 703 HG1 THR 95 HG1 THR 95 -6.956 10.326 3.872 704 HG21 THR 95 HG21 THR 95 -7.183 10.916 0.323 705 HG22 THR 95 HG22 THR 95 -7.850 9.335 0.739 706 HG23 THR 95 HG23 THR 95 -6.275 9.450 -0.051 707 H VAL 96 H VAL 96 -6.291 6.586 1.048 708 HA VAL 96 HA VAL 96 -3.494 6.378 0.091 709 HB VAL 96 HB VAL 96 -3.941 3.921 -0.277 710 HG11 VAL 96 HG11 VAL 96 -3.665 3.248 2.089 711 HG12 VAL 96 HG12 VAL 96 -4.186 4.851 2.611 712 HG13 VAL 96 HG13 VAL 96 -2.684 4.665 1.703 713 HG21 VAL 96 HG21 VAL 96 -6.468 4.417 1.357 714 HG22 VAL 96 HG22 VAL 96 -5.844 2.833 0.882 715 HG23 VAL 96 HG23 VAL 96 -6.411 3.963 -0.348 716 H TYR 97 H TYR 97 -3.204 6.148 -2.116 717 HA TYR 97 HA TYR 97 -5.530 6.827 -3.809 718 HB2 TYR 97 HB2 TYR 97 -2.614 7.656 -4.164 719 HB3 TYR 97 HB3 TYR 97 -3.961 8.157 -5.179 720 HD1 TYR 97 HD2 TYR 97 -5.802 9.620 -4.129 721 HD2 TYR 97 HD1 TYR 97 -2.074 8.892 -2.171 722 HE1 TYR 97 HE2 TYR 97 -6.179 11.564 -2.678 723 HE2 TYR 97 HE1 TYR 97 -2.463 10.838 -0.717 724 HH TYR 97 HH TYR 97 -3.703 12.815 -0.558 725 H MET 98 H MET 98 -5.751 5.904 -5.795 726 HA MET 98 HA MET 98 -3.865 3.843 -6.745 727 HB2 MET 98 HB2 MET 98 -6.310 3.357 -6.835 728 HB3 MET 98 HB3 MET 98 -6.567 4.779 -7.837 729 HG2 MET 98 HG2 MET 98 -5.291 3.773 -9.651 730 HG3 MET 98 HG3 MET 98 -4.890 2.387 -8.636 731 HE1 MET 98 HE1 MET 98 -9.178 3.285 -10.159 732 HE2 MET 98 HE2 MET 98 -7.783 4.287 -10.547 733 HE3 MET 98 HE3 MET 98 -8.411 4.252 -8.897 734 H VAL 99 H VAL 99 -2.190 4.600 -7.987 735 HA VAL 99 HA VAL 99 -2.551 7.098 -9.573 736 HB VAL 99 HB VAL 99 -0.166 7.672 -9.139 737 HG11 VAL 99 HG11 VAL 99 -1.826 7.402 -6.601 738 HG12 VAL 99 HG12 VAL 99 -1.897 8.733 -7.760 739 HG13 VAL 99 HG13 VAL 99 -0.433 8.470 -6.813 740 HG21 VAL 99 HG21 VAL 99 0.738 5.425 -8.644 741 HG22 VAL 99 HG22 VAL 99 -0.186 5.365 -7.141 742 HG23 VAL 99 HG23 VAL 99 1.113 6.548 -7.333 743 H ASP 100 H ASP 100 -1.199 7.361 -11.456 744 HA ASP 100 HA ASP 100 -0.061 4.892 -12.650 745 HB2 ASP 100 HB2 ASP 100 -2.110 5.618 -13.813 746 HB3 ASP 100 HB3 ASP 100 -1.488 7.259 -13.951 747 H TYR 101 H TYR 101 2.139 5.053 -12.736 748 HA TYR 101 HA TYR 101 3.408 7.641 -13.433 749 HB2 TYR 101 HB2 TYR 101 5.174 7.333 -11.793 750 HB3 TYR 101 HB3 TYR 101 3.635 7.243 -10.954 751 HD1 TYR 101 HD1 TYR 101 2.849 5.049 -10.001 752 HD2 TYR 101 HD2 TYR 101 6.670 5.392 -11.893 753 HE1 TYR 101 HE1 TYR 101 3.551 2.915 -9.000 754 HE2 TYR 101 HE2 TYR 101 7.361 3.263 -10.896 755 HH TYR 101 HH TYR 101 5.177 1.135 -9.363 756 H THR 102 H THR 102 5.795 7.248 -14.062 757 HA THR 102 HA THR 102 6.123 4.643 -15.468 758 HB THR 102 HB THR 102 7.318 7.323 -16.327 759 HG1 THR 102 HG1 THR 102 4.927 6.929 -16.580 760 HG21 THR 102 HG21 THR 102 7.904 6.140 -18.417 761 HG22 THR 102 HG22 THR 102 7.267 4.632 -17.757 762 HG23 THR 102 HG23 THR 102 8.692 5.382 -17.032 763 H SER 103 H SER 103 7.606 3.423 -14.511 764 HA SER 103 HA SER 103 9.279 4.068 -12.395 765 HB2 SER 103 HB2 SER 103 8.671 1.753 -12.833 766 HB3 SER 103 HB3 SER 103 9.499 1.775 -14.388 767 HG SER 103 HG SER 103 10.778 0.761 -12.818 768 H THR 104 H THR 104 11.117 5.154 -12.231 769 HA THR 104 HA THR 104 12.470 6.372 -14.401 770 HB THR 104 HB THR 104 14.043 7.248 -12.697 771 HG1 THR 104 HG1 THR 104 14.153 6.411 -10.694 772 HG21 THR 104 HG21 THR 104 12.435 8.392 -11.202 773 HG22 THR 104 HG22 THR 104 11.171 7.259 -11.682 774 HG23 THR 104 HG23 THR 104 11.849 8.379 -12.867 775 H THR 105 H THR 105 13.085 3.387 -12.642 776 HA THR 105 HA THR 105 15.865 3.170 -13.476 777 HB THR 105 HB THR 105 15.255 2.339 -11.243 778 HG1 THR 105 HG1 THR 105 16.926 1.287 -12.739 779 HG21 THR 105 HG21 THR 105 13.678 0.161 -12.663 780 HG22 THR 105 HG22 THR 105 12.978 1.471 -11.713 781 HG23 THR 105 HG23 THR 105 13.987 0.255 -10.924 782 H SER 106 H SER 106 12.783 1.778 -14.538 783 HA SER 106 HA SER 106 14.174 -0.089 -16.390 784 HB2 SER 106 HB2 SER 106 12.052 -1.352 -16.453 785 HB3 SER 106 HB3 SER 106 12.596 -1.130 -14.791 786 HG SER 106 HG SER 106 10.311 -0.724 -15.219 787 H GLY 107 H GLY 107 12.056 2.686 -16.324 788 HA2 GLY 107 HA2 GLY 107 11.264 4.036 -18.041 789 HA3 GLY 107 HA3 GLY 107 11.972 2.940 -19.217 790 H GLU 108 H GLU 108 10.081 1.307 -16.967 791 HA GLU 108 HA GLU 108 7.923 0.800 -18.897 792 HB2 GLU 108 HB2 GLU 108 9.034 -1.122 -17.814 793 HB3 GLU 108 HB3 GLU 108 8.599 -0.511 -16.227 794 HG2 GLU 108 HG2 GLU 108 7.152 -2.368 -16.851 795 HG3 GLU 108 HG3 GLU 108 6.216 -0.877 -16.715 796 H LYS 109 H LYS 109 5.761 1.386 -18.562 797 HA LYS 109 HA LYS 109 5.205 3.322 -16.444 798 HB2 LYS 109 HB2 LYS 109 4.383 3.706 -18.794 799 HB3 LYS 109 HB3 LYS 109 3.298 2.329 -18.610 800 HG2 LYS 109 HG2 LYS 109 2.245 3.531 -16.641 801 HG3 LYS 109 HG3 LYS 109 3.248 4.924 -17.029 802 HD2 LYS 109 HD2 LYS 109 1.136 5.406 -17.985 803 HD3 LYS 109 HD3 LYS 109 2.136 4.905 -19.348 804 HE2 LYS 109 HE2 LYS 109 0.236 3.023 -17.902 805 HE3 LYS 109 HE3 LYS 109 -0.234 3.980 -19.305 806 HZ1 LYS 109 HZ1 LYS 109 0.365 1.775 -19.972 807 HZ2 LYS 109 HZ2 LYS 109 1.873 1.893 -19.227 808 HZ3 LYS 109 HZ3 LYS 109 1.516 2.857 -20.572 809 H VAL 110 H VAL 110 4.388 2.772 -14.552 810 HA VAL 110 HA VAL 110 3.043 0.164 -14.156 811 HB VAL 110 HB VAL 110 4.199 2.027 -12.038 812 HG11 VAL 110 HG11 VAL 110 2.320 0.709 -11.137 813 HG12 VAL 110 HG12 VAL 110 3.842 0.123 -10.468 814 HG13 VAL 110 HG13 VAL 110 3.040 -0.783 -11.752 815 HG21 VAL 110 HG21 VAL 110 5.993 0.329 -11.781 816 HG22 VAL 110 HG22 VAL 110 5.987 1.012 -13.408 817 HG23 VAL 110 HG23 VAL 110 5.314 -0.595 -13.125 818 H LYS 111 H LYS 111 0.911 0.193 -14.094 819 HA LYS 111 HA LYS 111 -0.539 2.732 -13.640 820 HB2 LYS 111 HB2 LYS 111 -2.292 1.709 -15.223 821 HB3 LYS 111 HB3 LYS 111 -0.792 2.261 -15.937 822 HG2 LYS 111 HG2 LYS 111 -1.098 0.258 -17.059 823 HG3 LYS 111 HG3 LYS 111 -0.043 -0.246 -15.743 824 HD2 LYS 111 HD2 LYS 111 -1.791 -1.898 -16.014 825 HD3 LYS 111 HD3 LYS 111 -2.056 -1.052 -14.488 826 HE2 LYS 111 HE2 LYS 111 -3.781 0.366 -15.612 827 HE3 LYS 111 HE3 LYS 111 -3.545 -0.560 -17.097 828 HZ1 LYS 111 HZ1 LYS 111 -4.455 -1.677 -14.501 829 HZ2 LYS 111 HZ2 LYS 111 -4.289 -2.532 -15.953 830 HZ3 LYS 111 HZ3 LYS 111 -5.454 -1.314 -15.817 831 H ASN 112 H ASN 112 -2.576 2.654 -12.635 832 HA ASN 112 HA ASN 112 -3.957 2.193 -10.879 833 HB2 ASN 112 HB2 ASN 112 -3.671 -0.679 -11.853 834 HB3 ASN 112 HB3 ASN 112 -4.895 -0.125 -10.718 835 HD21 ASN 112 HD21 ASN 112 -6.587 -0.738 -12.037 836 HD22 ASN 112 HD22 ASN 112 -6.980 0.088 -13.504 837 H HIS 113 H HIS 113 -1.141 2.322 -10.252 838 HA HIS 113 HA HIS 113 -0.266 0.268 -8.522 839 HB2 HIS 113 HB2 HIS 113 1.347 1.802 -9.515 840 HB3 HIS 113 HB3 HIS 113 0.606 3.181 -8.700 841 HD2 HIS 113 HD2 HIS 113 1.619 3.738 -6.233 842 HE1 HIS 113 HE1 HIS 113 3.743 0.120 -5.695 843 HE2 HIS 113 HE2 HIS 113 3.018 2.284 -4.610 844 H LYS 114 H LYS 114 -0.778 -0.215 -6.500 845 HA LYS 114 HA LYS 114 -1.978 1.735 -4.634 846 HB2 LYS 114 HB2 LYS 114 -3.179 -0.988 -5.329 847 HB3 LYS 114 HB3 LYS 114 -3.746 0.050 -4.026 848 HG2 LYS 114 HG2 LYS 114 -4.414 1.759 -5.668 849 HG3 LYS 114 HG3 LYS 114 -3.826 0.746 -6.985 850 HD2 LYS 114 HD2 LYS 114 -6.044 -0.103 -5.082 851 HD3 LYS 114 HD3 LYS 114 -6.344 0.746 -6.594 852 HE2 LYS 114 HE2 LYS 114 -6.721 -1.607 -6.932 853 HE3 LYS 114 HE3 LYS 114 -5.271 -1.146 -7.817 854 HZ1 LYS 114 HZ1 LYS 114 -5.097 -3.275 -6.615 855 HZ2 LYS 114 HZ2 LYS 114 -5.238 -2.443 -5.148 856 HZ3 LYS 114 HZ3 LYS 114 -3.917 -2.160 -6.164 857 H TRP 115 H TRP 115 -0.470 -0.101 -1.910 858 HA TRP 115 HA TRP 115 -2.040 2.208 -2.915 859 HB2 TRP 115 HB2 TRP 115 -1.711 1.194 -0.052 860 HB3 TRP 115 HB3 TRP 115 -2.709 2.558 -0.544 861 HD1 TRP 115 HD1 TRP 115 -2.892 -1.141 -0.021 862 HE1 TRP 115 HE1 TRP 115 -5.164 -2.042 -0.765 863 HE3 TRP 115 HE3 TRP 115 -4.605 2.981 -2.522 864 HZ2 TRP 115 HZ2 TRP 115 -7.388 -1.154 -2.232 865 HZ3 TRP 115 HZ3 TRP 115 -6.823 2.862 -3.573 866 HH2 TRP 115 HH2 TRP 115 -8.185 0.834 -3.440 867 H VAL 116 H VAL 116 -1.423 4.308 -2.437 868 HA VAL 116 HA VAL 116 1.118 4.845 -0.994 869 HB VAL 116 HB VAL 116 1.568 6.776 -2.598 870 HG11 VAL 116 HG11 VAL 116 2.617 5.394 -4.356 871 HG12 VAL 116 HG12 VAL 116 1.669 3.998 -3.840 872 HG13 VAL 116 HG13 VAL 116 2.873 4.695 -2.756 873 HG21 VAL 116 HG21 VAL 116 -0.505 5.396 -4.362 874 HG22 VAL 116 HG22 VAL 116 0.520 6.753 -4.840 875 HG23 VAL 116 HG23 VAL 116 -0.700 6.970 -3.584 876 H THR 117 H THR 117 1.125 6.758 0.277 877 HA THR 117 HA THR 117 -1.578 7.830 0.841 878 HB THR 117 HB THR 117 -0.691 8.538 3.049 879 HG1 THR 117 HG1 THR 117 1.701 7.132 2.411 880 HG21 THR 117 HG21 THR 117 -0.388 6.287 4.024 881 HG22 THR 117 HG22 THR 117 -0.142 5.620 2.409 882 HG23 THR 117 HG23 THR 117 -1.707 6.309 2.851 883 H GLU 118 H GLU 118 -1.704 10.055 1.666 884 HA GLU 118 HA GLU 118 -0.892 12.079 -0.075 885 HB2 GLU 118 HB2 GLU 118 -2.810 12.239 1.494 886 HB3 GLU 118 HB3 GLU 118 -1.711 12.262 2.860 887 HG2 GLU 118 HG2 GLU 118 -2.371 14.489 2.618 888 HG3 GLU 118 HG3 GLU 118 -0.771 14.437 1.887 889 H ASP 119 H ASP 119 0.559 10.950 2.913 890 HA ASP 119 HA ASP 119 2.525 12.858 3.437 891 HB2 ASP 119 HB2 ASP 119 1.739 11.016 4.960 892 HB3 ASP 119 HB3 ASP 119 2.622 9.856 3.975 893 H GLU 120 H GLU 120 2.578 10.087 1.253 894 HA GLU 120 HA GLU 120 5.474 10.163 0.839 895 HB2 GLU 120 HB2 GLU 120 3.348 8.272 -0.258 896 HB3 GLU 120 HB3 GLU 120 5.094 8.051 -0.405 897 HG2 GLU 120 HG2 GLU 120 5.305 7.813 2.016 898 HG3 GLU 120 HG3 GLU 120 3.592 8.158 2.235 899 H LEU 121 H LEU 121 3.030 11.935 -0.561 900 HA LEU 121 HA LEU 121 4.270 11.954 -3.272 901 HB2 LEU 121 HB2 LEU 121 1.344 12.491 -2.576 902 HB3 LEU 121 HB3 LEU 121 2.045 12.572 -4.188 903 HG LEU 121 HG LEU 121 1.763 10.036 -2.513 904 HD11 LEU 121 HD11 LEU 121 0.181 10.907 -4.958 905 HD12 LEU 121 HD12 LEU 121 -0.412 10.847 -3.296 906 HD13 LEU 121 HD13 LEU 121 0.038 9.358 -4.119 907 HD21 LEU 121 HD21 LEU 121 2.739 10.348 -5.374 908 HD22 LEU 121 HD22 LEU 121 2.469 8.818 -4.531 909 HD23 LEU 121 HD23 LEU 121 3.728 9.917 -3.975 910 H SER 122 H SER 122 4.079 14.089 -4.418 911 HA SER 122 HA SER 122 3.481 16.472 -2.797 912 HB2 SER 122 HB2 SER 122 5.602 17.614 -3.426 913 HB3 SER 122 HB3 SER 122 5.906 16.176 -2.455 914 HG SER 122 HG SER 122 6.521 15.083 -4.313 915 H ALA 123 H ALA 123 2.316 17.902 -3.972 916 HA ALA 123 HA ALA 123 1.390 17.198 -6.554 917 HB1 ALA 123 HB1 ALA 123 0.954 19.772 -5.004 918 HB2 ALA 123 HB2 ALA 123 -0.025 18.310 -4.892 919 HB3 ALA 123 HB3 ALA 123 0.008 19.230 -6.396 920 H LYS 124 H LYS 124 1.905 17.869 -8.581 921 HA LYS 124 HA LYS 124 4.202 19.672 -8.979 922 HB2 LYS 124 HB2 LYS 124 4.163 17.365 -9.999 923 HB3 LYS 124 HB3 LYS 124 2.790 17.851 -10.977 924 HG2 LYS 124 HG2 LYS 124 4.634 17.984 -12.441 925 HG3 LYS 124 HG3 LYS 124 4.335 19.661 -11.986 926 HD2 LYS 124 HD2 LYS 124 6.404 17.964 -10.536 927 HD3 LYS 124 HD3 LYS 124 6.808 18.796 -12.035 928 HE2 LYS 124 HE2 LYS 124 6.458 20.950 -11.023 929 HE3 LYS 124 HE3 LYS 124 5.707 20.242 -9.602 930 HZ1 LYS 124 HZ1 LYS 124 7.810 19.267 -9.001 931 HZ2 LYS 124 HZ2 LYS 124 7.944 20.944 -9.158 932 HZ3 LYS 124 HZ3 LYS 124 8.535 19.929 -10.376 933 H LEU 125 H LEU 125 3.508 21.786 -8.994 934 HA LEU 125 HA LEU 125 1.185 22.577 -10.669 935 HB2 LEU 125 HB2 LEU 125 2.614 24.049 -8.416 936 HB3 LEU 125 HB3 LEU 125 1.439 24.823 -9.465 937 HG LEU 125 HG LEU 125 -0.269 23.103 -8.648 938 HD11 LEU 125 HD11 LEU 125 1.818 22.527 -6.532 939 HD12 LEU 125 HD12 LEU 125 1.235 21.403 -7.764 940 HD13 LEU 125 HD13 LEU 125 0.139 21.980 -6.512 941 HD21 LEU 125 HD21 LEU 125 -0.738 24.311 -6.552 942 HD22 LEU 125 HD22 LEU 125 -0.291 25.416 -7.849 943 HD23 LEU 125 HD23 LEU 125 0.881 25.019 -6.591 944 H GLU 126 H GLU 126 4.410 23.853 -9.810 945 HA GLU 126 HA GLU 126 4.758 25.434 -12.148 946 HB2 GLU 126 HB2 GLU 126 7.074 25.753 -11.396 947 HB3 GLU 126 HB3 GLU 126 5.967 25.928 -10.042 948 HG2 GLU 126 HG2 GLU 126 7.422 23.313 -10.548 949 HG3 GLU 126 HG3 GLU 126 8.205 24.642 -9.694 950 H HIS 127 H HIS 127 6.731 25.120 -13.604 951 HA HIS 127 HA HIS 127 7.667 24.090 -15.384 952 HB2 HIS 127 HB2 HIS 127 7.736 21.716 -13.479 953 HB3 HIS 127 HB3 HIS 127 8.531 21.721 -15.050 954 HD1 HIS 127 HD1 HIS 127 9.161 22.513 -11.580 955 HD2 HIS 127 HD2 HIS 127 10.523 23.918 -15.247 956 HE1 HIS 127 HE1 HIS 127 11.280 23.760 -11.075 957 HE2 HIS 127 HE2 HIS 127 12.086 24.597 -13.304 958 H HIS 128 H HIS 128 4.800 24.213 -15.249 959 HA HIS 128 HA HIS 128 3.558 21.946 -16.389 960 HB2 HIS 128 HB2 HIS 128 1.836 23.652 -17.252 961 HB3 HIS 128 HB3 HIS 128 2.093 23.594 -15.517 962 HD1 HIS 128 HD1 HIS 128 2.502 25.791 -14.404 963 HD2 HIS 128 HD2 HIS 128 3.172 26.006 -18.507 964 HE1 HIS 128 HE1 HIS 128 2.915 28.214 -14.897 965 HE2 HIS 128 HE2 HIS 128 3.480 28.295 -17.339 966 H HIS 129 H HIS 129 3.914 20.993 -18.299 967 HA HIS 129 HA HIS 129 5.837 22.145 -20.148 968 HB2 HIS 129 HB2 HIS 129 4.436 19.441 -20.325 969 HB3 HIS 129 HB3 HIS 129 5.925 19.920 -21.137 970 HD1 HIS 129 HD1 HIS 129 4.584 18.718 -17.881 971 HD2 HIS 129 HD2 HIS 129 8.230 19.919 -19.464 972 HE1 HIS 129 HE1 HIS 129 6.292 18.061 -16.179 973 HE2 HIS 129 HE2 HIS 129 8.482 18.843 -17.126 974 H HIS 130 H HIS 130 4.898 23.739 -21.426 975 HA HIS 130 HA HIS 130 2.429 23.536 -22.807 976 HB2 HIS 130 HB2 HIS 130 3.561 25.708 -22.539 977 HB3 HIS 130 HB3 HIS 130 4.913 25.163 -23.528 978 HD1 HIS 130 HD1 HIS 130 1.229 26.032 -23.819 979 HD2 HIS 130 HD2 HIS 130 4.567 25.545 -26.250 980 HE1 HIS 130 HE1 HIS 130 0.499 26.743 -26.114 981 HE2 HIS 130 HE2 HIS 130 2.467 26.247 -27.594 982 H HIS 131 H HIS 131 1.861 22.244 -24.447 983 HA HIS 131 HA HIS 131 3.538 20.272 -25.523 984 HB2 HIS 131 HB2 HIS 131 1.132 19.920 -25.386 985 HB3 HIS 131 HB3 HIS 131 0.829 21.256 -26.491 986 HD1 HIS 131 HD1 HIS 131 2.584 17.858 -26.559 987 HD2 HIS 131 HD2 HIS 131 0.516 20.432 -29.089 988 HE1 HIS 131 HE1 HIS 131 2.439 16.661 -28.759 989 HE2 HIS 131 HE2 HIS 131 1.325 18.294 -30.308 990 H HIS 132 H HIS 132 4.753 20.084 -27.311 991 HA HIS 132 HA HIS 132 4.755 22.231 -29.374 992 HB2 HIS 132 HB2 HIS 132 7.088 20.459 -28.500 993 HB3 HIS 132 HB3 HIS 132 7.147 21.671 -29.778 994 HD1 HIS 132 HD1 HIS 132 7.773 21.258 -26.245 995 HD2 HIS 132 HD2 HIS 132 6.626 24.399 -28.707 996 HE1 HIS 132 HE1 HIS 132 8.243 23.337 -24.928 997 HE2 HIS 132 HE2 HIS 132 7.713 25.216 -26.513 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -3.258 15.979 -1.482 2 H2 MET 1 H2 MET 1 -4.574 14.921 -1.373 3 H3 MET 1 H3 MET 1 -4.836 16.588 -1.500 4 HA MET 1 HA MET 1 -3.967 16.649 -3.699 5 HB2 MET 1 HB2 MET 1 -3.712 13.614 -3.586 6 HB3 MET 1 HB3 MET 1 -3.195 14.688 -4.880 7 HG2 MET 1 HG2 MET 1 -1.938 14.396 -2.142 8 HG3 MET 1 HG3 MET 1 -1.269 13.873 -3.692 9 HE1 MET 1 HE1 MET 1 1.046 15.121 -3.312 10 HE2 MET 1 HE2 MET 1 0.472 15.547 -1.699 11 HE3 MET 1 HE3 MET 1 1.159 16.787 -2.745 12 H LYS 2 H LYS 2 -5.506 16.535 -5.369 13 HA LYS 2 HA LYS 2 -8.037 15.092 -4.764 14 HB2 LYS 2 HB2 LYS 2 -7.676 17.672 -6.368 15 HB3 LYS 2 HB3 LYS 2 -9.210 16.871 -6.025 16 HG2 LYS 2 HG2 LYS 2 -8.837 17.272 -3.586 17 HG3 LYS 2 HG3 LYS 2 -7.358 18.150 -3.978 18 HD2 LYS 2 HD2 LYS 2 -10.181 18.927 -4.822 19 HD3 LYS 2 HD3 LYS 2 -9.244 19.684 -3.534 20 HE2 LYS 2 HE2 LYS 2 -7.568 20.419 -5.235 21 HE3 LYS 2 HE3 LYS 2 -8.577 19.711 -6.499 22 HZ1 LYS 2 HZ1 LYS 2 -10.367 21.227 -5.805 23 HZ2 LYS 2 HZ2 LYS 2 -8.992 22.046 -6.346 24 HZ3 LYS 2 HZ3 LYS 2 -9.313 21.944 -4.692 25 H VAL 3 H VAL 3 -9.271 14.345 -6.695 26 HA VAL 3 HA VAL 3 -7.611 12.801 -8.400 27 HB VAL 3 HB VAL 3 -10.604 13.321 -8.653 28 HG11 VAL 3 HG11 VAL 3 -10.697 11.217 -9.967 29 HG12 VAL 3 HG12 VAL 3 -8.936 11.108 -9.915 30 HG13 VAL 3 HG13 VAL 3 -9.712 12.441 -10.773 31 HG21 VAL 3 HG21 VAL 3 -10.006 12.344 -6.465 32 HG22 VAL 3 HG22 VAL 3 -9.138 11.035 -7.272 33 HG23 VAL 3 HG23 VAL 3 -10.889 11.174 -7.450 34 H GLY 4 H GLY 4 -6.733 13.210 -10.292 35 HA2 GLY 4 HA2 GLY 4 -6.601 14.100 -12.516 36 HA3 GLY 4 HA3 GLY 4 -7.571 15.470 -12.003 37 H SER 5 H SER 5 -5.432 15.057 -9.527 38 HA SER 5 HA SER 5 -3.746 17.258 -10.376 39 HB2 SER 5 HB2 SER 5 -2.892 17.293 -8.112 40 HB3 SER 5 HB3 SER 5 -4.628 17.018 -8.023 41 HG SER 5 HG SER 5 -4.255 14.884 -7.547 42 H GLN 6 H GLN 6 -1.547 17.266 -10.768 43 HA GLN 6 HA GLN 6 -0.143 14.718 -11.199 44 HB2 GLN 6 HB2 GLN 6 0.579 17.595 -11.908 45 HB3 GLN 6 HB3 GLN 6 1.679 16.241 -12.155 46 HG2 GLN 6 HG2 GLN 6 -0.025 15.206 -13.664 47 HG3 GLN 6 HG3 GLN 6 -1.007 16.664 -13.495 48 HE21 GLN 6 HE21 GLN 6 0.360 15.442 -15.845 49 HE22 GLN 6 HE22 GLN 6 1.327 16.702 -16.512 50 H VAL 7 H VAL 7 1.276 13.949 -9.772 51 HA VAL 7 HA VAL 7 2.701 15.753 -7.909 52 HB VAL 7 HB VAL 7 2.584 14.000 -6.133 53 HG11 VAL 7 HG11 VAL 7 -0.163 14.935 -7.052 54 HG12 VAL 7 HG12 VAL 7 0.972 15.858 -6.065 55 HG13 VAL 7 HG13 VAL 7 0.248 14.383 -5.424 56 HG21 VAL 7 HG21 VAL 7 2.216 11.995 -7.524 57 HG22 VAL 7 HG22 VAL 7 0.606 12.571 -7.958 58 HG23 VAL 7 HG23 VAL 7 0.963 12.128 -6.288 59 H ILE 8 H ILE 8 4.827 15.078 -7.373 60 HA ILE 8 HA ILE 8 6.059 13.014 -9.093 61 HB ILE 8 HB ILE 8 7.436 15.174 -7.426 62 HG12 ILE 8 HG12 ILE 8 6.126 16.206 -9.256 63 HG13 ILE 8 HG13 ILE 8 7.851 16.368 -9.562 64 HG21 ILE 8 HG21 ILE 8 8.908 13.242 -7.792 65 HG22 ILE 8 HG22 ILE 8 9.476 14.625 -8.728 66 HG23 ILE 8 HG23 ILE 8 8.609 13.314 -9.533 67 HD11 ILE 8 HD11 ILE 8 6.640 15.855 -11.590 68 HD12 ILE 8 HD12 ILE 8 5.997 14.378 -10.875 69 HD13 ILE 8 HD13 ILE 8 7.730 14.531 -11.183 70 H ILE 9 H ILE 9 6.950 11.182 -8.182 71 HA ILE 9 HA ILE 9 6.155 10.522 -5.462 72 HB ILE 9 HB ILE 9 7.752 8.781 -7.398 73 HG12 ILE 9 HG12 ILE 9 4.710 8.968 -7.159 74 HG13 ILE 9 HG13 ILE 9 5.657 9.579 -8.509 75 HG21 ILE 9 HG21 ILE 9 6.798 6.899 -6.129 76 HG22 ILE 9 HG22 ILE 9 5.942 8.027 -5.075 77 HG23 ILE 9 HG23 ILE 9 7.707 7.979 -5.067 78 HD11 ILE 9 HD11 ILE 9 6.354 7.275 -9.041 79 HD12 ILE 9 HD12 ILE 9 4.605 7.488 -9.089 80 HD13 ILE 9 HD13 ILE 9 5.352 6.679 -7.712 81 H ASN 10 H ASN 10 7.464 11.113 -3.741 82 HA ASN 10 HA ASN 10 10.354 11.497 -4.162 83 HB2 ASN 10 HB2 ASN 10 10.358 12.569 -1.910 84 HB3 ASN 10 HB3 ASN 10 9.249 13.336 -3.034 85 HD21 ASN 10 HD21 ASN 10 8.105 14.272 -1.326 86 HD22 ASN 10 HD22 ASN 10 7.045 13.361 -0.315 87 H THR 11 H THR 11 8.163 9.340 -2.501 88 HA THR 11 HA THR 11 10.415 7.683 -1.493 89 HB THR 11 HB THR 11 7.717 8.178 -0.150 90 HG1 THR 11 HG1 THR 11 9.105 9.886 0.202 91 HG21 THR 11 HG21 THR 11 8.413 5.854 0.268 92 HG22 THR 11 HG22 THR 11 8.575 6.817 1.740 93 HG23 THR 11 HG23 THR 11 10.007 6.412 0.794 94 H SER 12 H SER 12 10.216 5.475 -1.826 95 HA SER 12 HA SER 12 7.784 4.284 -2.904 96 HB2 SER 12 HB2 SER 12 10.325 4.410 -4.596 97 HB3 SER 12 HB3 SER 12 8.906 3.430 -4.970 98 HG SER 12 HG SER 12 7.942 5.783 -4.645 99 H HIS 13 H HIS 13 7.650 2.155 -2.413 100 HA HIS 13 HA HIS 13 9.800 0.740 -1.069 101 HB2 HIS 13 HB2 HIS 13 7.056 -0.227 -2.017 102 HB3 HIS 13 HB3 HIS 13 8.151 -1.140 -0.977 103 HD2 HIS 13 HD2 HIS 13 5.974 2.147 -0.776 104 HE1 HIS 13 HE1 HIS 13 6.959 0.852 3.128 105 HE2 HIS 13 HE2 HIS 13 5.786 2.632 1.750 106 H MET 14 H MET 14 8.492 0.946 -4.306 107 HA MET 14 HA MET 14 10.351 -1.076 -5.377 108 HB2 MET 14 HB2 MET 14 8.288 0.632 -6.838 109 HB3 MET 14 HB3 MET 14 9.181 -0.707 -7.525 110 HG2 MET 14 HG2 MET 14 6.941 -1.428 -7.102 111 HG3 MET 14 HG3 MET 14 7.978 -2.223 -5.921 112 HE1 MET 14 HE1 MET 14 4.709 -1.824 -5.820 113 HE2 MET 14 HE2 MET 14 4.492 -1.514 -4.095 114 HE3 MET 14 HE3 MET 14 5.593 -2.784 -4.630 115 H LYS 15 H LYS 15 12.303 -0.449 -6.196 116 HA LYS 15 HA LYS 15 13.329 2.152 -5.919 117 HB2 LYS 15 HB2 LYS 15 15.395 1.348 -6.836 118 HB3 LYS 15 HB3 LYS 15 14.703 0.045 -5.889 119 HG2 LYS 15 HG2 LYS 15 14.645 0.222 -8.927 120 HG3 LYS 15 HG3 LYS 15 15.786 -0.732 -7.977 121 HD2 LYS 15 HD2 LYS 15 13.876 -2.065 -7.081 122 HD3 LYS 15 HD3 LYS 15 12.774 -1.138 -8.102 123 HE2 LYS 15 HE2 LYS 15 13.260 -3.263 -9.170 124 HE3 LYS 15 HE3 LYS 15 14.012 -1.974 -10.113 125 HZ1 LYS 15 HZ1 LYS 15 15.419 -3.672 -8.123 126 HZ2 LYS 15 HZ2 LYS 15 16.129 -2.501 -9.119 127 HZ3 LYS 15 HZ3 LYS 15 15.462 -3.899 -9.792 128 H GLY 16 H GLY 16 11.759 0.681 -8.678 129 HA2 GLY 16 HA2 GLY 16 12.700 2.528 -10.686 130 HA3 GLY 16 HA3 GLY 16 11.429 1.335 -10.866 131 H MET 17 H MET 17 10.343 2.842 -8.280 132 HA MET 17 HA MET 17 8.496 4.544 -9.823 133 HB2 MET 17 HB2 MET 17 8.415 3.502 -6.964 134 HB3 MET 17 HB3 MET 17 7.174 4.531 -7.670 135 HG2 MET 17 HG2 MET 17 6.542 2.820 -9.221 136 HG3 MET 17 HG3 MET 17 7.931 1.829 -8.786 137 HE1 MET 17 HE1 MET 17 4.742 2.623 -5.526 138 HE2 MET 17 HE2 MET 17 4.820 3.617 -6.981 139 HE3 MET 17 HE3 MET 17 6.142 3.660 -5.810 140 H LYS 18 H LYS 18 11.118 4.805 -7.557 141 HA LYS 18 HA LYS 18 10.469 7.287 -6.349 142 HB2 LYS 18 HB2 LYS 18 11.992 5.700 -5.301 143 HB3 LYS 18 HB3 LYS 18 13.120 5.833 -6.647 144 HG2 LYS 18 HG2 LYS 18 13.600 8.156 -6.059 145 HG3 LYS 18 HG3 LYS 18 12.404 8.107 -4.763 146 HD2 LYS 18 HD2 LYS 18 14.881 6.334 -4.870 147 HD3 LYS 18 HD3 LYS 18 14.796 7.869 -4.000 148 HE2 LYS 18 HE2 LYS 18 12.969 6.969 -2.594 149 HE3 LYS 18 HE3 LYS 18 13.066 5.432 -3.459 150 HZ1 LYS 18 HZ1 LYS 18 15.287 5.121 -2.641 151 HZ2 LYS 18 HZ2 LYS 18 14.253 5.420 -1.335 152 HZ3 LYS 18 HZ3 LYS 18 15.281 6.640 -1.900 153 H GLY 19 H GLY 19 10.467 9.235 -7.240 154 HA2 GLY 19 HA2 GLY 19 11.357 11.129 -8.309 155 HA3 GLY 19 HA3 GLY 19 12.492 10.118 -9.180 156 H ALA 20 H ALA 20 9.426 8.730 -9.416 157 HA ALA 20 HA ALA 20 9.205 9.463 -12.238 158 HB1 ALA 20 HB1 ALA 20 7.526 7.523 -10.597 159 HB2 ALA 20 HB2 ALA 20 8.963 7.108 -11.535 160 HB3 ALA 20 HB3 ALA 20 7.513 7.687 -12.354 161 H GLU 21 H GLU 21 7.254 10.194 -13.257 162 HA GLU 21 HA GLU 21 5.695 12.145 -11.769 163 HB2 GLU 21 HB2 GLU 21 5.600 11.346 -14.707 164 HB3 GLU 21 HB3 GLU 21 4.626 12.623 -13.995 165 HG2 GLU 21 HG2 GLU 21 6.404 13.728 -15.037 166 HG3 GLU 21 HG3 GLU 21 6.776 13.766 -13.326 167 H ALA 22 H ALA 22 3.957 11.543 -10.648 168 HA ALA 22 HA ALA 22 2.261 9.274 -11.511 169 HB1 ALA 22 HB1 ALA 22 3.256 9.033 -9.282 170 HB2 ALA 22 HB2 ALA 22 1.501 9.164 -9.172 171 HB3 ALA 22 HB3 ALA 22 2.518 10.552 -8.770 172 H THR 23 H THR 23 0.006 9.472 -11.530 173 HA THR 23 HA THR 23 -1.166 12.200 -11.380 174 HB THR 23 HB THR 23 -2.107 10.010 -13.302 175 HG1 THR 23 HG1 THR 23 -1.006 11.140 -14.922 176 HG21 THR 23 HG21 THR 23 -3.341 11.830 -14.416 177 HG22 THR 23 HG22 THR 23 -2.709 12.996 -13.253 178 HG23 THR 23 HG23 THR 23 -3.819 11.732 -12.717 179 H VAL 24 H VAL 24 -2.739 12.316 -9.842 180 HA VAL 24 HA VAL 24 -3.552 9.978 -8.340 181 HB VAL 24 HB VAL 24 -4.467 12.879 -8.115 182 HG11 VAL 24 HG11 VAL 24 -5.339 12.282 -5.862 183 HG12 VAL 24 HG12 VAL 24 -4.984 10.584 -6.180 184 HG13 VAL 24 HG13 VAL 24 -6.196 11.427 -7.147 185 HG21 VAL 24 HG21 VAL 24 -2.934 12.999 -6.175 186 HG22 VAL 24 HG22 VAL 24 -2.060 12.581 -7.651 187 HG23 VAL 24 HG23 VAL 24 -2.434 11.330 -6.462 188 H THR 25 H THR 25 -4.955 8.599 -9.278 189 HA THR 25 HA THR 25 -7.224 9.580 -10.902 190 HB THR 25 HB THR 25 -7.468 7.194 -11.626 191 HG1 THR 25 HG1 THR 25 -5.212 6.090 -10.962 192 HG21 THR 25 HG21 THR 25 -6.068 8.711 -12.977 193 HG22 THR 25 HG22 THR 25 -5.407 7.075 -12.996 194 HG23 THR 25 HG23 THR 25 -4.660 8.315 -11.986 195 H GLY 26 H GLY 26 -6.598 8.479 -7.714 196 HA2 GLY 26 HA2 GLY 26 -9.444 8.489 -7.085 197 HA3 GLY 26 HA3 GLY 26 -8.624 6.955 -6.801 198 H ALA 27 H ALA 27 -9.858 8.959 -4.913 199 HA ALA 27 HA ALA 27 -7.554 9.324 -3.067 200 HB1 ALA 27 HB1 ALA 27 -8.527 11.467 -2.310 201 HB2 ALA 27 HB2 ALA 27 -9.832 11.306 -3.489 202 HB3 ALA 27 HB3 ALA 27 -8.170 11.515 -4.039 203 H TYR 28 H TYR 28 -7.869 8.257 -1.175 204 HA TYR 28 HA TYR 28 -10.621 7.572 -0.266 205 HB2 TYR 28 HB2 TYR 28 -8.142 5.796 -0.288 206 HB3 TYR 28 HB3 TYR 28 -9.611 5.394 0.587 207 HD1 TYR 28 HD1 TYR 28 -8.447 6.206 -2.907 208 HD2 TYR 28 HD2 TYR 28 -11.228 4.040 -0.486 209 HE1 TYR 28 HE1 TYR 28 -9.285 5.043 -4.912 210 HE2 TYR 28 HE2 TYR 28 -12.069 2.884 -2.487 211 HH TYR 28 HH TYR 28 -12.157 3.098 -4.863 212 H ASP 29 H ASP 29 -11.048 8.257 1.761 213 HA ASP 29 HA ASP 29 -8.845 8.812 3.667 214 HB2 ASP 29 HB2 ASP 29 -10.495 10.275 4.855 215 HB3 ASP 29 HB3 ASP 29 -10.159 10.798 3.210 216 H THR 30 H THR 30 -8.627 6.582 4.206 217 HA THR 30 HA THR 30 -10.716 5.472 6.005 218 HB THR 30 HB THR 30 -11.073 4.417 3.818 219 HG1 THR 30 HG1 THR 30 -11.505 2.741 5.014 220 HG21 THR 30 HG21 THR 30 -8.813 4.702 2.852 221 HG22 THR 30 HG22 THR 30 -9.362 3.031 2.727 222 HG23 THR 30 HG23 THR 30 -8.184 3.477 3.961 223 H THR 31 H THR 31 -9.807 3.382 7.118 224 HA THR 31 HA THR 31 -7.333 4.063 8.469 225 HB THR 31 HB THR 31 -9.011 1.536 8.809 226 HG1 THR 31 HG1 THR 31 -10.162 3.522 9.246 227 HG21 THR 31 HG21 THR 31 -6.731 1.330 9.774 228 HG22 THR 31 HG22 THR 31 -7.956 1.379 11.042 229 HG23 THR 31 HG23 THR 31 -6.984 2.813 10.698 230 H ALA 32 H ALA 32 -5.371 3.399 7.900 231 HA ALA 32 HA ALA 32 -4.919 1.144 6.052 232 HB1 ALA 32 HB1 ALA 32 -2.662 2.108 5.728 233 HB2 ALA 32 HB2 ALA 32 -3.032 3.388 6.888 234 HB3 ALA 32 HB3 ALA 32 -3.915 3.296 5.363 235 H TYR 33 H TYR 33 -2.969 -0.241 6.635 236 HA TYR 33 HA TYR 33 -2.522 -0.490 9.548 237 HB2 TYR 33 HB2 TYR 33 -3.299 -2.805 7.707 238 HB3 TYR 33 HB3 TYR 33 -2.762 -2.986 9.376 239 HD1 TYR 33 HD1 TYR 33 -4.144 -1.722 11.202 240 HD2 TYR 33 HD2 TYR 33 -5.642 -2.525 7.280 241 HE1 TYR 33 HE1 TYR 33 -6.438 -1.364 12.000 242 HE2 TYR 33 HE2 TYR 33 -7.934 -2.170 8.094 243 HH TYR 33 HH TYR 33 -9.191 -2.216 10.190 244 H VAL 34 H VAL 34 -0.519 -0.957 10.141 245 HA VAL 34 HA VAL 34 1.564 -1.557 8.138 246 HB VAL 34 HB VAL 34 1.882 -0.785 11.085 247 HG11 VAL 34 HG11 VAL 34 3.943 -0.869 8.845 248 HG12 VAL 34 HG12 VAL 34 3.829 -2.003 10.194 249 HG13 VAL 34 HG13 VAL 34 4.242 -0.316 10.496 250 HG21 VAL 34 HG21 VAL 34 0.813 1.066 9.853 251 HG22 VAL 34 HG22 VAL 34 2.093 1.021 8.638 252 HG23 VAL 34 HG23 VAL 34 2.468 1.494 10.297 253 H VAL 35 H VAL 35 1.778 -3.740 7.825 254 HA VAL 35 HA VAL 35 1.425 -5.579 10.140 255 HB VAL 35 HB VAL 35 0.514 -7.295 8.605 256 HG11 VAL 35 HG11 VAL 35 -1.703 -6.286 8.186 257 HG12 VAL 35 HG12 VAL 35 -1.022 -4.673 8.419 258 HG13 VAL 35 HG13 VAL 35 -1.073 -5.813 9.766 259 HG21 VAL 35 HG21 VAL 35 -0.130 -6.760 6.265 260 HG22 VAL 35 HG22 VAL 35 1.615 -6.631 6.491 261 HG23 VAL 35 HG23 VAL 35 0.629 -5.171 6.417 262 H SER 36 H SER 36 2.868 -7.207 10.437 263 HA SER 36 HA SER 36 4.995 -7.692 8.415 264 HB2 SER 36 HB2 SER 36 5.085 -8.271 11.411 265 HB3 SER 36 HB3 SER 36 6.378 -8.615 10.258 266 HG SER 36 HG SER 36 5.499 -6.176 11.302 267 H TYR 37 H TYR 37 5.219 -9.769 7.612 268 HA TYR 37 HA TYR 37 3.573 -11.941 8.650 269 HB2 TYR 37 HB2 TYR 37 2.306 -12.296 6.568 270 HB3 TYR 37 HB3 TYR 37 1.944 -10.728 7.265 271 HD1 TYR 37 HD2 TYR 37 2.677 -8.646 6.125 272 HD2 TYR 37 HD1 TYR 37 3.414 -12.471 4.369 273 HE1 TYR 37 HE2 TYR 37 3.109 -7.581 3.965 274 HE2 TYR 37 HE1 TYR 37 3.855 -11.393 2.204 275 HH TYR 37 HH TYR 37 4.287 -8.009 1.893 276 H THR 38 H THR 38 3.944 -13.945 7.690 277 HA THR 38 HA THR 38 6.427 -14.218 6.092 278 HB THR 38 HB THR 38 4.986 -16.355 7.730 279 HG1 THR 38 HG1 THR 38 6.041 -14.995 9.127 280 HG21 THR 38 HG21 THR 38 6.984 -17.758 7.248 281 HG22 THR 38 HG22 THR 38 7.614 -16.487 6.197 282 HG23 THR 38 HG23 THR 38 6.123 -17.323 5.766 283 HA PRO 39 HA PRO 39 3.364 -15.056 2.751 284 HB2 PRO 39 HB2 PRO 39 5.366 -15.667 0.861 285 HB3 PRO 39 HB3 PRO 39 4.634 -14.080 1.113 286 HG2 PRO 39 HG2 PRO 39 7.230 -15.161 2.129 287 HG3 PRO 39 HG3 PRO 39 6.826 -13.513 1.616 288 HD2 PRO 39 HD2 PRO 39 7.066 -14.189 4.231 289 HD3 PRO 39 HD3 PRO 39 5.900 -12.965 3.691 290 H THR 40 H THR 40 2.326 -16.930 2.706 291 HA THR 40 HA THR 40 3.234 -19.229 4.062 292 HB THR 40 HB THR 40 0.852 -18.627 3.967 293 HG1 THR 40 HG1 THR 40 0.558 -21.060 2.777 294 HG21 THR 40 HG21 THR 40 0.924 -19.497 1.052 295 HG22 THR 40 HG22 THR 40 0.704 -17.840 1.622 296 HG23 THR 40 HG23 THR 40 -0.524 -19.062 1.965 297 H ASN 41 H ASN 41 3.762 -18.368 0.810 298 HA ASN 41 HA ASN 41 4.107 -21.045 -0.277 299 HB2 ASN 41 HB2 ASN 41 3.309 -18.971 -1.549 300 HB3 ASN 41 HB3 ASN 41 4.965 -18.388 -1.493 301 HD21 ASN 41 HD21 ASN 41 4.007 -21.773 -2.018 302 HD22 ASN 41 HD22 ASN 41 4.559 -21.847 -3.647 303 H GLY 42 H GLY 42 5.883 -19.629 1.992 304 HA2 GLY 42 HA2 GLY 42 7.932 -20.245 2.862 305 HA3 GLY 42 HA3 GLY 42 8.275 -21.153 1.400 306 H GLY 43 H GLY 43 7.603 -17.709 2.005 307 HA2 GLY 43 HA2 GLY 43 10.032 -16.963 0.445 308 HA3 GLY 43 HA3 GLY 43 8.570 -16.000 0.571 309 H GLN 44 H GLN 44 10.659 -14.547 1.008 310 HA GLN 44 HA GLN 44 11.771 -14.464 3.619 311 HB2 GLN 44 HB2 GLN 44 11.362 -12.124 1.697 312 HB3 GLN 44 HB3 GLN 44 12.461 -12.147 3.072 313 HG2 GLN 44 HG2 GLN 44 12.686 -13.792 0.539 314 HG3 GLN 44 HG3 GLN 44 13.697 -12.423 1.001 315 HE21 GLN 44 HE21 GLN 44 15.179 -12.704 2.758 316 HE22 GLN 44 HE22 GLN 44 15.729 -14.279 3.200 317 H ARG 45 H ARG 45 10.729 -14.007 5.530 318 HA ARG 45 HA ARG 45 8.166 -12.921 5.821 319 HB2 ARG 45 HB2 ARG 45 9.253 -14.146 7.650 320 HB3 ARG 45 HB3 ARG 45 10.465 -12.880 7.823 321 HG2 ARG 45 HG2 ARG 45 8.669 -11.283 8.497 322 HG3 ARG 45 HG3 ARG 45 7.483 -12.579 8.357 323 HD2 ARG 45 HD2 ARG 45 9.816 -12.510 10.305 324 HD3 ARG 45 HD3 ARG 45 8.126 -12.173 10.698 325 HE ARG 45 HE ARG 45 8.447 -14.747 9.492 326 HH11 ARG 45 HH11 ARG 45 8.815 -13.170 12.564 327 HH12 ARG 45 HH12 ARG 45 8.541 -14.634 13.437 328 HH21 ARG 45 HH21 ARG 45 8.124 -16.575 10.651 329 HH22 ARG 45 HH22 ARG 45 8.155 -16.518 12.378 330 H VAL 46 H VAL 46 7.476 -10.965 5.313 331 HA VAL 46 HA VAL 46 9.285 -8.709 4.954 332 HB VAL 46 HB VAL 46 6.272 -8.851 4.497 333 HG11 VAL 46 HG11 VAL 46 8.314 -6.814 3.511 334 HG12 VAL 46 HG12 VAL 46 7.070 -6.536 4.734 335 HG13 VAL 46 HG13 VAL 46 6.605 -6.855 3.064 336 HG21 VAL 46 HG21 VAL 46 7.425 -10.512 3.102 337 HG22 VAL 46 HG22 VAL 46 8.525 -9.270 2.496 338 HG23 VAL 46 HG23 VAL 46 6.804 -9.192 2.108 339 H ASP 47 H ASP 47 9.675 -7.286 6.542 340 HA ASP 47 HA ASP 47 7.940 -7.109 8.910 341 HB2 ASP 47 HB2 ASP 47 10.363 -7.381 9.284 342 HB3 ASP 47 HB3 ASP 47 10.701 -5.942 8.329 343 H HIS 48 H HIS 48 6.425 -5.557 8.966 344 HA HIS 48 HA HIS 48 5.201 -3.675 8.713 345 HB2 HIS 48 HB2 HIS 48 7.967 -2.413 8.575 346 HB3 HIS 48 HB3 HIS 48 6.478 -1.484 8.712 347 HD1 HIS 48 HD1 HIS 48 7.230 -0.544 11.018 348 HD2 HIS 48 HD2 HIS 48 6.836 -4.674 10.935 349 HE1 HIS 48 HE1 HIS 48 7.241 -1.272 13.420 350 HE2 HIS 48 HE2 HIS 48 7.157 -3.782 13.331 351 H HIS 49 H HIS 49 4.965 -4.981 6.496 352 HA HIS 49 HA HIS 49 5.670 -3.769 4.042 353 HB2 HIS 49 HB2 HIS 49 4.851 -6.129 4.318 354 HB3 HIS 49 HB3 HIS 49 3.232 -5.508 4.616 355 HD2 HIS 49 HD2 HIS 49 1.880 -4.540 2.318 356 HE1 HIS 49 HE1 HIS 49 4.782 -5.992 -0.398 357 HE2 HIS 49 HE2 HIS 49 2.519 -4.889 -0.172 358 H LYS 50 H LYS 50 4.814 -2.107 2.902 359 HA LYS 50 HA LYS 50 2.178 -0.996 3.584 360 HB2 LYS 50 HB2 LYS 50 4.773 0.572 3.310 361 HB3 LYS 50 HB3 LYS 50 3.182 1.320 3.341 362 HG2 LYS 50 HG2 LYS 50 2.836 0.514 5.642 363 HG3 LYS 50 HG3 LYS 50 4.421 -0.275 5.616 364 HD2 LYS 50 HD2 LYS 50 5.527 1.897 5.338 365 HD3 LYS 50 HD3 LYS 50 3.964 2.714 5.256 366 HE2 LYS 50 HE2 LYS 50 3.509 2.023 7.596 367 HE3 LYS 50 HE3 LYS 50 5.099 1.257 7.667 368 HZ1 LYS 50 HZ1 LYS 50 4.590 4.140 7.185 369 HZ2 LYS 50 HZ2 LYS 50 6.110 3.409 7.275 370 HZ3 LYS 50 HZ3 LYS 50 5.118 3.467 8.643 371 H TRP 51 H TRP 51 1.779 0.052 0.147 372 HA TRP 51 HA TRP 51 0.894 0.078 2.969 373 HB2 TRP 51 HB2 TRP 51 0.001 1.755 0.599 374 HB3 TRP 51 HB3 TRP 51 -0.834 1.759 2.148 375 HD1 TRP 51 HD1 TRP 51 2.264 3.138 0.427 376 HE1 TRP 51 HE1 TRP 51 3.436 4.789 2.001 377 HE3 TRP 51 HE3 TRP 51 -0.408 2.221 4.699 378 HZ2 TRP 51 HZ2 TRP 51 3.272 5.600 4.711 379 HZ3 TRP 51 HZ3 TRP 51 0.160 3.479 6.740 380 HH2 TRP 51 HH2 TRP 51 1.963 5.135 6.744 381 H VAL 52 H VAL 52 -0.652 -1.164 3.632 382 HA VAL 52 HA VAL 52 -2.762 -2.165 1.811 383 HB VAL 52 HB VAL 52 -3.145 -4.057 3.396 384 HG11 VAL 52 HG11 VAL 52 -1.197 -5.449 2.796 385 HG12 VAL 52 HG12 VAL 52 -0.295 -4.004 2.332 386 HG13 VAL 52 HG13 VAL 52 -1.736 -4.472 1.427 387 HG21 VAL 52 HG21 VAL 52 -2.252 -3.062 5.473 388 HG22 VAL 52 HG22 VAL 52 -0.613 -3.146 4.827 389 HG23 VAL 52 HG23 VAL 52 -1.507 -4.633 5.161 390 H ILE 53 H ILE 53 -4.869 -1.801 2.497 391 HA ILE 53 HA ILE 53 -5.277 -0.307 5.028 392 HB ILE 53 HB ILE 53 -7.121 0.938 4.078 393 HG12 ILE 53 HG12 ILE 53 -6.665 -0.484 1.417 394 HG13 ILE 53 HG13 ILE 53 -7.982 -0.852 2.520 395 HG21 ILE 53 HG21 ILE 53 -4.744 1.070 2.190 396 HG22 ILE 53 HG22 ILE 53 -4.896 1.908 3.737 397 HG23 ILE 53 HG23 ILE 53 -5.963 2.330 2.400 398 HD11 ILE 53 HD11 ILE 53 -7.556 1.750 1.062 399 HD12 ILE 53 HD12 ILE 53 -8.889 1.390 2.163 400 HD13 ILE 53 HD13 ILE 53 -8.722 0.490 0.656 401 H GLN 54 H GLN 54 -7.847 -0.416 5.460 402 HA GLN 54 HA GLN 54 -8.554 -2.806 6.522 403 HB2 GLN 54 HB2 GLN 54 -9.609 -0.451 6.708 404 HB3 GLN 54 HB3 GLN 54 -10.606 -0.912 5.336 405 HG2 GLN 54 HG2 GLN 54 -11.545 -2.772 6.652 406 HG3 GLN 54 HG3 GLN 54 -10.528 -2.316 8.022 407 HE21 GLN 54 HE21 GLN 54 -12.196 -1.816 9.421 408 HE22 GLN 54 HE22 GLN 54 -13.276 -0.495 9.178 409 H GLU 55 H GLU 55 -9.020 -1.894 3.106 410 HA GLU 55 HA GLU 55 -10.897 -3.888 2.413 411 HB2 GLU 55 HB2 GLU 55 -10.493 -1.727 1.199 412 HB3 GLU 55 HB3 GLU 55 -8.967 -2.375 0.616 413 HG2 GLU 55 HG2 GLU 55 -10.531 -2.587 -1.157 414 HG3 GLU 55 HG3 GLU 55 -10.261 -4.207 -0.531 415 H GLU 56 H GLU 56 -7.366 -4.046 2.669 416 HA GLU 56 HA GLU 56 -7.078 -6.231 0.743 417 HB2 GLU 56 HB2 GLU 56 -5.131 -4.662 2.465 418 HB3 GLU 56 HB3 GLU 56 -4.616 -6.169 1.723 419 HG2 GLU 56 HG2 GLU 56 -3.939 -4.231 0.383 420 HG3 GLU 56 HG3 GLU 56 -5.035 -5.288 -0.496 421 H ILE 57 H ILE 57 -8.035 -6.129 3.975 422 HA ILE 57 HA ILE 57 -6.754 -8.696 4.712 423 HB ILE 57 HB ILE 57 -7.810 -6.448 6.483 424 HG12 ILE 57 HG12 ILE 57 -4.949 -7.400 5.976 425 HG13 ILE 57 HG13 ILE 57 -5.655 -5.925 5.330 426 HG21 ILE 57 HG21 ILE 57 -6.513 -9.070 7.312 427 HG22 ILE 57 HG22 ILE 57 -8.194 -8.604 7.586 428 HG23 ILE 57 HG23 ILE 57 -6.895 -7.730 8.396 429 HD11 ILE 57 HD11 ILE 57 -5.109 -6.516 8.241 430 HD12 ILE 57 HD12 ILE 57 -5.838 -5.035 7.612 431 HD13 ILE 57 HD13 ILE 57 -4.181 -5.456 7.180 432 H LYS 58 H LYS 58 -7.981 -10.411 5.326 433 HA LYS 58 HA LYS 58 -10.725 -10.662 4.689 434 HB2 LYS 58 HB2 LYS 58 -9.165 -12.568 4.648 435 HB3 LYS 58 HB3 LYS 58 -8.923 -12.443 6.386 436 HG2 LYS 58 HG2 LYS 58 -11.225 -13.135 6.807 437 HG3 LYS 58 HG3 LYS 58 -11.586 -13.104 5.079 438 HD2 LYS 58 HD2 LYS 58 -11.251 -15.414 5.838 439 HD3 LYS 58 HD3 LYS 58 -9.985 -14.950 4.698 440 HE2 LYS 58 HE2 LYS 58 -9.050 -16.232 6.563 441 HE3 LYS 58 HE3 LYS 58 -8.429 -14.586 6.581 442 HZ1 LYS 58 HZ1 LYS 58 -9.070 -15.450 8.784 443 HZ2 LYS 58 HZ2 LYS 58 -10.680 -15.522 8.273 444 HZ3 LYS 58 HZ3 LYS 58 -9.885 -14.033 8.364 445 H ASP 59 H ASP 59 -9.074 -10.532 7.813 446 HA ASP 59 HA ASP 59 -11.476 -10.929 9.355 447 HB2 ASP 59 HB2 ASP 59 -8.630 -10.312 10.247 448 HB3 ASP 59 HB3 ASP 59 -9.941 -10.838 11.308 449 H ALA 60 H ALA 60 -10.244 -8.140 7.930 450 HA ALA 60 HA ALA 60 -10.354 -6.024 9.540 451 HB1 ALA 60 HB1 ALA 60 -11.724 -6.175 6.848 452 HB2 ALA 60 HB2 ALA 60 -10.000 -5.926 7.122 453 HB3 ALA 60 HB3 ALA 60 -11.158 -4.704 7.648 454 H GLY 61 H GLY 61 -13.448 -7.209 8.041 455 HA2 GLY 61 HA2 GLY 61 -15.573 -7.297 8.885 456 HA3 GLY 61 HA3 GLY 61 -14.844 -7.262 10.475 457 H ASP 62 H ASP 62 -14.465 -4.586 8.229 458 HA ASP 62 HA ASP 62 -14.887 -2.382 8.348 459 HB2 ASP 62 HB2 ASP 62 -17.536 -3.352 9.489 460 HB3 ASP 62 HB3 ASP 62 -17.227 -1.662 9.100 461 H LYS 63 H LYS 63 -13.737 -3.828 10.803 462 HA LYS 63 HA LYS 63 -14.151 -1.699 12.839 463 HB2 LYS 63 HB2 LYS 63 -13.679 -3.250 14.537 464 HB3 LYS 63 HB3 LYS 63 -14.565 -4.234 13.383 465 HG2 LYS 63 HG2 LYS 63 -12.298 -5.022 12.508 466 HG3 LYS 63 HG3 LYS 63 -11.571 -4.209 13.888 467 HD2 LYS 63 HD2 LYS 63 -11.825 -6.572 14.393 468 HD3 LYS 63 HD3 LYS 63 -12.933 -5.652 15.412 469 HE2 LYS 63 HE2 LYS 63 -14.802 -6.226 13.890 470 HE3 LYS 63 HE3 LYS 63 -13.693 -7.134 12.860 471 HZ1 LYS 63 HZ1 LYS 63 -14.258 -7.761 15.708 472 HZ2 LYS 63 HZ2 LYS 63 -13.299 -8.667 14.646 473 HZ3 LYS 63 HZ3 LYS 63 -14.963 -8.536 14.386 474 H THR 64 H THR 64 -12.175 -1.133 14.122 475 HA THR 64 HA THR 64 -9.788 -0.827 12.459 476 HB THR 64 HB THR 64 -10.314 0.163 15.297 477 HG1 THR 64 HG1 THR 64 -11.319 1.010 13.016 478 HG21 THR 64 HG21 THR 64 -7.885 -0.004 14.818 479 HG22 THR 64 HG22 THR 64 -8.401 1.680 14.929 480 HG23 THR 64 HG23 THR 64 -8.109 0.951 13.348 481 H LEU 65 H LEU 65 -8.448 -2.502 12.377 482 HA LEU 65 HA LEU 65 -8.190 -4.531 14.403 483 HB2 LEU 65 HB2 LEU 65 -6.491 -3.992 11.941 484 HB3 LEU 65 HB3 LEU 65 -6.445 -5.456 12.907 485 HG LEU 65 HG LEU 65 -8.897 -4.521 11.355 486 HD11 LEU 65 HD11 LEU 65 -6.867 -6.624 10.553 487 HD12 LEU 65 HD12 LEU 65 -7.093 -5.043 9.798 488 HD13 LEU 65 HD13 LEU 65 -8.372 -6.250 9.706 489 HD21 LEU 65 HD21 LEU 65 -9.766 -6.784 11.753 490 HD22 LEU 65 HD22 LEU 65 -9.446 -5.963 13.277 491 HD23 LEU 65 HD23 LEU 65 -8.325 -7.195 12.689 492 H GLN 66 H GLN 66 -6.843 -4.489 16.094 493 HA GLN 66 HA GLN 66 -5.312 -2.012 16.566 494 HB2 GLN 66 HB2 GLN 66 -6.514 -4.079 18.456 495 HB3 GLN 66 HB3 GLN 66 -5.672 -2.623 18.987 496 HG2 GLN 66 HG2 GLN 66 -7.381 -1.190 18.173 497 HG3 GLN 66 HG3 GLN 66 -8.072 -2.448 17.151 498 HE21 GLN 66 HE21 GLN 66 -10.115 -2.124 17.980 499 HE22 GLN 66 HE22 GLN 66 -10.573 -2.607 19.571 500 HA PRO 67 HA PRO 67 -1.200 -3.872 16.744 501 HB2 PRO 67 HB2 PRO 67 -1.036 -2.593 19.483 502 HB3 PRO 67 HB3 PRO 67 0.148 -2.577 18.164 503 HG2 PRO 67 HG2 PRO 67 -1.382 -0.442 18.572 504 HG3 PRO 67 HG3 PRO 67 -1.076 -0.998 16.913 505 HD2 PRO 67 HD2 PRO 67 -3.547 -1.318 18.597 506 HD3 PRO 67 HD3 PRO 67 -3.399 -1.022 16.851 507 H GLY 68 H GLY 68 -1.030 -6.006 17.008 508 HA2 GLY 68 HA2 GLY 68 -0.481 -7.878 18.486 509 HA3 GLY 68 HA3 GLY 68 -1.715 -7.318 19.603 510 H ASP 69 H ASP 69 -3.474 -6.839 17.044 511 HA ASP 69 HA ASP 69 -4.784 -9.384 16.956 512 HB2 ASP 69 HB2 ASP 69 -5.127 -6.810 15.381 513 HB3 ASP 69 HB3 ASP 69 -6.009 -8.265 14.917 514 H GLN 70 H GLN 70 -4.570 -11.040 15.544 515 HA GLN 70 HA GLN 70 -2.508 -10.829 13.433 516 HB2 GLN 70 HB2 GLN 70 -2.073 -12.367 15.442 517 HB3 GLN 70 HB3 GLN 70 -3.375 -13.382 14.840 518 HG2 GLN 70 HG2 GLN 70 -2.134 -13.819 12.788 519 HG3 GLN 70 HG3 GLN 70 -0.863 -12.700 13.286 520 HE21 GLN 70 HE21 GLN 70 0.758 -14.262 13.267 521 HE22 GLN 70 HE22 GLN 70 0.844 -15.533 14.431 522 H VAL 71 H VAL 71 -3.192 -11.099 11.405 523 HA VAL 71 HA VAL 71 -5.957 -11.980 10.824 524 HB VAL 71 HB VAL 71 -6.247 -9.978 9.358 525 HG11 VAL 71 HG11 VAL 71 -5.610 -9.256 12.247 526 HG12 VAL 71 HG12 VAL 71 -7.147 -9.881 11.646 527 HG13 VAL 71 HG13 VAL 71 -6.590 -8.285 11.143 528 HG21 VAL 71 HG21 VAL 71 -3.875 -9.491 8.854 529 HG22 VAL 71 HG22 VAL 71 -3.602 -9.007 10.528 530 HG23 VAL 71 HG23 VAL 71 -4.674 -8.053 9.498 531 H ILE 72 H ILE 72 -6.319 -12.338 8.451 532 HA ILE 72 HA ILE 72 -3.857 -13.208 7.026 533 HB ILE 72 HB ILE 72 -6.717 -14.181 6.607 534 HG12 ILE 72 HG12 ILE 72 -5.858 -14.979 8.771 535 HG13 ILE 72 HG13 ILE 72 -5.963 -16.321 7.641 536 HG21 ILE 72 HG21 ILE 72 -4.136 -15.190 5.351 537 HG22 ILE 72 HG22 ILE 72 -5.442 -14.337 4.526 538 HG23 ILE 72 HG23 ILE 72 -5.721 -15.951 5.178 539 HD11 ILE 72 HD11 ILE 72 -3.450 -14.863 8.457 540 HD12 ILE 72 HD12 ILE 72 -3.529 -16.183 7.287 541 HD13 ILE 72 HD13 ILE 72 -3.961 -16.469 8.972 542 H LEU 73 H LEU 73 -3.479 -12.543 4.932 543 HA LEU 73 HA LEU 73 -4.882 -10.155 3.983 544 HB2 LEU 73 HB2 LEU 73 -2.409 -11.555 2.890 545 HB3 LEU 73 HB3 LEU 73 -2.982 -9.961 2.417 546 HG LEU 73 HG LEU 73 -1.918 -10.706 5.184 547 HD11 LEU 73 HD11 LEU 73 -0.609 -9.038 3.010 548 HD12 LEU 73 HD12 LEU 73 -0.138 -10.668 3.496 549 HD13 LEU 73 HD13 LEU 73 0.030 -9.332 4.631 550 HD21 LEU 73 HD21 LEU 73 -2.018 -8.297 5.693 551 HD22 LEU 73 HD22 LEU 73 -3.619 -8.944 5.350 552 HD23 LEU 73 HD23 LEU 73 -2.778 -7.985 4.129 553 H GLU 74 H GLU 74 -6.493 -10.277 2.504 554 HA GLU 74 HA GLU 74 -6.852 -12.591 0.746 555 HB2 GLU 74 HB2 GLU 74 -8.551 -10.093 1.108 556 HB3 GLU 74 HB3 GLU 74 -8.947 -11.402 -0.005 557 HG2 GLU 74 HG2 GLU 74 -8.786 -11.537 3.010 558 HG3 GLU 74 HG3 GLU 74 -10.233 -11.673 2.010 559 H ALA 75 H ALA 75 -5.811 -9.221 0.422 560 HA ALA 75 HA ALA 75 -5.510 -9.470 -2.473 561 HB1 ALA 75 HB1 ALA 75 -4.459 -7.246 -2.363 562 HB2 ALA 75 HB2 ALA 75 -4.506 -7.301 -0.598 563 HB3 ALA 75 HB3 ALA 75 -6.010 -7.263 -1.519 564 H SER 76 H SER 76 -3.413 -9.234 -3.506 565 HA SER 76 HA SER 76 -1.070 -10.137 -2.004 566 HB2 SER 76 HB2 SER 76 -2.247 -12.202 -2.861 567 HB3 SER 76 HB3 SER 76 -2.033 -11.603 -4.504 568 HG SER 76 HG SER 76 0.019 -12.124 -4.435 569 H HIS 77 H HIS 77 0.576 -8.850 -2.589 570 HA HIS 77 HA HIS 77 0.583 -7.362 -5.110 571 HB2 HIS 77 HB2 HIS 77 2.362 -7.228 -2.630 572 HB3 HIS 77 HB3 HIS 77 2.497 -6.139 -4.003 573 HD2 HIS 77 HD2 HIS 77 -1.081 -6.017 -3.895 574 HE1 HIS 77 HE1 HIS 77 0.000 -3.669 -0.547 575 HE2 HIS 77 HE2 HIS 77 -1.776 -4.101 -2.296 576 H MET 78 H MET 78 1.853 -10.281 -3.920 577 HA MET 78 HA MET 78 3.763 -10.635 -6.082 578 HB2 MET 78 HB2 MET 78 5.693 -11.113 -4.559 579 HB3 MET 78 HB3 MET 78 5.180 -9.432 -4.495 580 HG2 MET 78 HG2 MET 78 4.036 -9.809 -2.384 581 HG3 MET 78 HG3 MET 78 4.403 -11.537 -2.465 582 HE1 MET 78 HE1 MET 78 5.374 -11.416 -0.028 583 HE2 MET 78 HE2 MET 78 5.073 -9.678 0.060 584 HE3 MET 78 HE3 MET 78 6.664 -10.322 0.471 585 H LYS 79 H LYS 79 5.022 -12.810 -5.633 586 HA LYS 79 HA LYS 79 3.129 -14.897 -5.726 587 HB2 LYS 79 HB2 LYS 79 5.250 -14.866 -6.967 588 HB3 LYS 79 HB3 LYS 79 6.158 -14.968 -5.467 589 HG2 LYS 79 HG2 LYS 79 5.404 -17.240 -5.087 590 HG3 LYS 79 HG3 LYS 79 4.281 -17.143 -6.451 591 HD2 LYS 79 HD2 LYS 79 6.172 -16.939 -8.019 592 HD3 LYS 79 HD3 LYS 79 7.315 -16.949 -6.675 593 HE2 LYS 79 HE2 LYS 79 5.459 -19.264 -7.326 594 HE3 LYS 79 HE3 LYS 79 7.116 -19.135 -7.914 595 HZ1 LYS 79 HZ1 LYS 79 7.927 -19.182 -5.675 596 HZ2 LYS 79 HZ2 LYS 79 6.899 -20.508 -5.904 597 HZ3 LYS 79 HZ3 LYS 79 6.362 -19.155 -5.047 598 H GLY 80 H GLY 80 1.953 -15.405 -3.923 599 HA2 GLY 80 HA2 GLY 80 1.663 -16.920 -2.140 600 HA3 GLY 80 HA3 GLY 80 3.355 -16.768 -1.721 601 H MET 81 H MET 81 1.763 -13.741 -2.156 602 HA MET 81 HA MET 81 2.049 -13.058 0.627 603 HB2 MET 81 HB2 MET 81 2.496 -11.382 -1.095 604 HB3 MET 81 HB3 MET 81 0.846 -11.498 -1.689 605 HG2 MET 81 HG2 MET 81 -0.001 -10.532 0.387 606 HG3 MET 81 HG3 MET 81 1.636 -10.486 1.052 607 HE1 MET 81 HE1 MET 81 1.234 -7.862 1.601 608 HE2 MET 81 HE2 MET 81 -0.378 -7.959 0.887 609 HE3 MET 81 HE3 MET 81 0.740 -6.692 0.378 610 H LYS 82 H LYS 82 -0.811 -13.524 -1.503 611 HA LYS 82 HA LYS 82 -2.779 -13.268 0.530 612 HB2 LYS 82 HB2 LYS 82 -3.284 -13.273 -1.952 613 HB3 LYS 82 HB3 LYS 82 -3.015 -15.014 -1.963 614 HG2 LYS 82 HG2 LYS 82 -4.866 -15.218 -0.236 615 HG3 LYS 82 HG3 LYS 82 -5.178 -13.498 -0.468 616 HD2 LYS 82 HD2 LYS 82 -5.576 -14.033 -2.935 617 HD3 LYS 82 HD3 LYS 82 -5.521 -15.742 -2.488 618 HE2 LYS 82 HE2 LYS 82 -7.515 -13.658 -1.517 619 HE3 LYS 82 HE3 LYS 82 -7.843 -15.025 -2.580 620 HZ1 LYS 82 HZ1 LYS 82 -7.448 -16.529 -0.769 621 HZ2 LYS 82 HZ2 LYS 82 -8.568 -15.364 -0.262 622 HZ3 LYS 82 HZ3 LYS 82 -6.961 -15.270 0.246 623 H GLY 83 H GLY 83 -3.510 -14.675 2.083 624 HA2 GLY 83 HA2 GLY 83 -3.932 -16.766 3.100 625 HA3 GLY 83 HA3 GLY 83 -2.804 -17.542 1.998 626 H ALA 84 H ALA 84 -1.054 -14.985 2.862 627 HA ALA 84 HA ALA 84 0.581 -16.328 4.768 628 HB1 ALA 84 HB1 ALA 84 1.476 -14.738 3.113 629 HB2 ALA 84 HB2 ALA 84 1.904 -14.257 4.754 630 HB3 ALA 84 HB3 ALA 84 0.609 -13.414 3.895 631 H THR 85 H THR 85 0.812 -16.007 6.949 632 HA THR 85 HA THR 85 -1.377 -14.811 8.432 633 HB THR 85 HB THR 85 1.155 -16.101 9.546 634 HG1 THR 85 HG1 THR 85 -0.362 -17.954 9.770 635 HG21 THR 85 HG21 THR 85 -0.236 -16.468 11.570 636 HG22 THR 85 HG22 THR 85 -1.577 -15.613 10.803 637 HG23 THR 85 HG23 THR 85 -0.090 -14.748 11.201 638 H ALA 86 H ALA 86 -1.384 -12.716 8.944 639 HA ALA 86 HA ALA 86 1.116 -11.126 9.042 640 HB1 ALA 86 HB1 ALA 86 -1.687 -10.208 8.279 641 HB2 ALA 86 HB2 ALA 86 -0.362 -10.513 7.155 642 HB3 ALA 86 HB3 ALA 86 -0.239 -9.194 8.321 643 H GLU 87 H GLU 87 1.315 -9.578 10.709 644 HA GLU 87 HA GLU 87 -0.718 -9.613 12.864 645 HB2 GLU 87 HB2 GLU 87 1.392 -10.825 13.498 646 HB3 GLU 87 HB3 GLU 87 2.302 -9.346 13.210 647 HG2 GLU 87 HG2 GLU 87 0.958 -8.230 15.012 648 HG3 GLU 87 HG3 GLU 87 0.175 -9.776 15.332 649 H ILE 88 H ILE 88 -1.517 -7.668 13.379 650 HA ILE 88 HA ILE 88 -0.740 -5.230 12.113 651 HB ILE 88 HB ILE 88 -2.510 -5.534 14.587 652 HG12 ILE 88 HG12 ILE 88 -3.370 -6.970 12.743 653 HG13 ILE 88 HG13 ILE 88 -4.470 -5.654 13.121 654 HG21 ILE 88 HG21 ILE 88 -3.531 -3.392 13.891 655 HG22 ILE 88 HG22 ILE 88 -2.406 -3.288 12.536 656 HG23 ILE 88 HG23 ILE 88 -1.800 -3.214 14.191 657 HD11 ILE 88 HD11 ILE 88 -2.591 -5.754 10.764 658 HD12 ILE 88 HD12 ILE 88 -3.726 -4.450 11.128 659 HD13 ILE 88 HD13 ILE 88 -4.325 -6.061 10.735 660 H ASP 89 H ASP 89 1.363 -4.596 12.613 661 HA ASP 89 HA ASP 89 2.481 -4.476 15.255 662 HB2 ASP 89 HB2 ASP 89 3.254 -2.873 12.771 663 HB3 ASP 89 HB3 ASP 89 4.246 -3.091 14.214 664 H SER 90 H SER 90 0.517 -2.378 13.308 665 HA SER 90 HA SER 90 -0.202 -0.559 15.364 666 HB2 SER 90 HB2 SER 90 2.033 0.404 14.995 667 HB3 SER 90 HB3 SER 90 1.757 0.480 13.256 668 HG SER 90 HG SER 90 0.520 2.204 13.513 669 H ALA 91 H ALA 91 -1.900 0.839 14.680 670 HA ALA 91 HA ALA 91 -2.990 0.348 11.960 671 HB1 ALA 91 HB1 ALA 91 -5.185 1.001 12.877 672 HB2 ALA 91 HB2 ALA 91 -4.458 1.273 14.462 673 HB3 ALA 91 HB3 ALA 91 -4.506 -0.353 13.783 674 H GLU 92 H GLU 92 -3.138 2.077 10.619 675 HA GLU 92 HA GLU 92 -2.012 4.659 11.561 676 HB2 GLU 92 HB2 GLU 92 -0.484 3.342 10.137 677 HB3 GLU 92 HB3 GLU 92 -1.708 3.218 8.884 678 HG2 GLU 92 HG2 GLU 92 -0.094 4.848 8.196 679 HG3 GLU 92 HG3 GLU 92 -1.590 5.693 8.580 680 H LYS 93 H LYS 93 -3.386 6.398 11.382 681 HA LYS 93 HA LYS 93 -5.559 6.379 9.391 682 HB2 LYS 93 HB2 LYS 93 -4.904 8.309 11.662 683 HB3 LYS 93 HB3 LYS 93 -6.194 8.590 10.496 684 HG2 LYS 93 HG2 LYS 93 -6.031 6.221 12.389 685 HG3 LYS 93 HG3 LYS 93 -7.029 7.661 12.628 686 HD2 LYS 93 HD2 LYS 93 -8.288 7.123 10.551 687 HD3 LYS 93 HD3 LYS 93 -7.292 5.678 10.327 688 HE2 LYS 93 HE2 LYS 93 -9.466 5.107 11.318 689 HE3 LYS 93 HE3 LYS 93 -8.152 4.749 12.438 690 HZ1 LYS 93 HZ1 LYS 93 -10.030 5.816 13.537 691 HZ2 LYS 93 HZ2 LYS 93 -9.871 7.173 12.539 692 HZ3 LYS 93 HZ3 LYS 93 -8.643 6.777 13.631 693 H THR 94 H THR 94 -4.526 6.630 7.447 694 HA THR 94 HA THR 94 -3.384 9.285 6.881 695 HB THR 94 HB THR 94 -1.443 7.763 7.078 696 HG1 THR 94 HG1 THR 94 -0.575 8.774 5.435 697 HG21 THR 94 HG21 THR 94 -2.528 5.616 6.483 698 HG22 THR 94 HG22 THR 94 -1.096 5.908 5.495 699 HG23 THR 94 HG23 THR 94 -2.703 6.166 4.813 700 H THR 95 H THR 95 -3.652 9.955 4.669 701 HA THR 95 HA THR 95 -6.020 8.823 3.365 702 HB THR 95 HB THR 95 -4.388 11.256 2.520 703 HG1 THR 95 HG1 THR 95 -5.281 12.026 4.301 704 HG21 THR 95 HG21 THR 95 -6.429 11.902 1.264 705 HG22 THR 95 HG22 THR 95 -7.212 10.396 1.746 706 HG23 THR 95 HG23 THR 95 -5.803 10.357 0.684 707 H VAL 96 H VAL 96 -5.941 7.546 1.561 708 HA VAL 96 HA VAL 96 -3.274 6.884 0.459 709 HB VAL 96 HB VAL 96 -4.163 4.534 0.090 710 HG11 VAL 96 HG11 VAL 96 -3.953 5.435 2.992 711 HG12 VAL 96 HG12 VAL 96 -2.605 5.018 1.930 712 HG13 VAL 96 HG13 VAL 96 -3.762 3.777 2.411 713 HG21 VAL 96 HG21 VAL 96 -6.586 4.982 0.271 714 HG22 VAL 96 HG22 VAL 96 -6.398 5.405 1.974 715 HG23 VAL 96 HG23 VAL 96 -6.093 3.751 1.437 716 H TYR 97 H TYR 97 -3.100 6.792 -1.716 717 HA TYR 97 HA TYR 97 -5.457 7.547 -3.335 718 HB2 TYR 97 HB2 TYR 97 -2.527 8.311 -3.749 719 HB3 TYR 97 HB3 TYR 97 -3.865 8.797 -4.788 720 HD1 TYR 97 HD2 TYR 97 -5.559 10.441 -3.975 721 HD2 TYR 97 HD1 TYR 97 -2.154 9.433 -1.593 722 HE1 TYR 97 HE2 TYR 97 -5.973 12.397 -2.549 723 HE2 TYR 97 HE1 TYR 97 -2.584 11.386 -0.161 724 HH TYR 97 HH TYR 97 -3.703 13.455 -0.116 725 H MET 98 H MET 98 -5.889 6.479 -5.173 726 HA MET 98 HA MET 98 -4.139 4.360 -6.196 727 HB2 MET 98 HB2 MET 98 -6.605 3.991 -6.182 728 HB3 MET 98 HB3 MET 98 -6.834 5.417 -7.188 729 HG2 MET 98 HG2 MET 98 -5.614 4.326 -9.023 730 HG3 MET 98 HG3 MET 98 -5.355 2.904 -8.012 731 HE1 MET 98 HE1 MET 98 -8.649 5.150 -8.341 732 HE2 MET 98 HE2 MET 98 -9.510 4.236 -9.579 733 HE3 MET 98 HE3 MET 98 -8.007 5.064 -9.984 734 H VAL 99 H VAL 99 -2.495 4.976 -7.535 735 HA VAL 99 HA VAL 99 -2.789 7.461 -9.151 736 HB VAL 99 HB VAL 99 -0.310 7.793 -8.990 737 HG11 VAL 99 HG11 VAL 99 -0.298 8.706 -6.684 738 HG12 VAL 99 HG12 VAL 99 -1.763 7.794 -6.314 739 HG13 VAL 99 HG13 VAL 99 -1.806 9.075 -7.526 740 HG21 VAL 99 HG21 VAL 99 1.006 6.619 -7.243 741 HG22 VAL 99 HG22 VAL 99 0.415 5.491 -8.465 742 HG23 VAL 99 HG23 VAL 99 -0.379 5.578 -6.892 743 H ASP 100 H ASP 100 -1.756 7.579 -11.138 744 HA ASP 100 HA ASP 100 -1.161 5.060 -12.561 745 HB2 ASP 100 HB2 ASP 100 -3.389 6.168 -13.067 746 HB3 ASP 100 HB3 ASP 100 -2.526 7.614 -13.559 747 H TYR 101 H TYR 101 0.947 5.084 -13.372 748 HA TYR 101 HA TYR 101 2.314 7.588 -14.012 749 HB2 TYR 101 HB2 TYR 101 4.153 7.236 -12.374 750 HB3 TYR 101 HB3 TYR 101 2.612 7.513 -11.580 751 HD1 TYR 101 HD1 TYR 101 1.465 5.666 -10.388 752 HD2 TYR 101 HD2 TYR 101 5.309 5.073 -12.148 753 HE1 TYR 101 HE1 TYR 101 1.763 3.640 -9.060 754 HE2 TYR 101 HE2 TYR 101 5.599 3.032 -10.815 755 HH TYR 101 HH TYR 101 4.721 2.010 -8.746 756 H THR 102 H THR 102 4.746 7.069 -14.433 757 HA THR 102 HA THR 102 5.062 4.462 -15.822 758 HB THR 102 HB THR 102 6.332 7.139 -16.573 759 HG1 THR 102 HG1 THR 102 5.073 6.689 -18.557 760 HG21 THR 102 HG21 THR 102 7.882 5.259 -17.036 761 HG22 THR 102 HG22 THR 102 7.269 5.965 -18.532 762 HG23 THR 102 HG23 THR 102 6.608 4.438 -17.944 763 H SER 103 H SER 103 6.398 3.193 -14.666 764 HA SER 103 HA SER 103 8.275 3.946 -12.699 765 HB2 SER 103 HB2 SER 103 7.407 1.639 -12.847 766 HB3 SER 103 HB3 SER 103 8.176 1.419 -14.418 767 HG SER 103 HG SER 103 9.197 0.954 -12.026 768 H THR 104 H THR 104 10.168 4.989 -12.939 769 HA THR 104 HA THR 104 11.283 5.831 -15.375 770 HB THR 104 HB THR 104 13.268 6.582 -14.020 771 HG1 THR 104 HG1 THR 104 11.960 5.664 -11.684 772 HG21 THR 104 HG21 THR 104 10.583 7.204 -12.734 773 HG22 THR 104 HG22 THR 104 11.274 8.037 -14.129 774 HG23 THR 104 HG23 THR 104 12.057 8.157 -12.553 775 H THR 105 H THR 105 12.346 3.163 -13.239 776 HA THR 105 HA THR 105 14.773 2.549 -14.582 777 HB THR 105 HB THR 105 13.043 0.774 -12.808 778 HG1 THR 105 HG1 THR 105 14.991 1.420 -11.383 779 HG21 THR 105 HG21 THR 105 15.093 -0.561 -12.408 780 HG22 THR 105 HG22 THR 105 15.951 0.385 -13.624 781 HG23 THR 105 HG23 THR 105 14.596 -0.640 -14.101 782 H SER 106 H SER 106 11.569 0.940 -14.758 783 HA SER 106 HA SER 106 12.375 -0.889 -16.856 784 HB2 SER 106 HB2 SER 106 9.602 -0.341 -15.715 785 HB3 SER 106 HB3 SER 106 10.040 -1.703 -16.749 786 HG SER 106 HG SER 106 10.420 -2.648 -14.913 787 H GLY 107 H GLY 107 10.977 2.288 -16.765 788 HA2 GLY 107 HA2 GLY 107 10.225 3.743 -18.383 789 HA3 GLY 107 HA3 GLY 107 10.830 2.632 -19.598 790 H GLU 108 H GLU 108 8.565 1.381 -17.309 791 HA GLU 108 HA GLU 108 6.481 1.193 -19.404 792 HB2 GLU 108 HB2 GLU 108 7.391 -0.986 -18.778 793 HB3 GLU 108 HB3 GLU 108 7.078 -0.676 -17.074 794 HG2 GLU 108 HG2 GLU 108 4.681 -0.758 -17.434 795 HG3 GLU 108 HG3 GLU 108 4.900 -0.849 -19.181 796 H LYS 109 H LYS 109 4.342 1.592 -18.945 797 HA LYS 109 HA LYS 109 3.729 3.444 -16.818 798 HB2 LYS 109 HB2 LYS 109 1.986 2.222 -19.000 799 HB3 LYS 109 HB3 LYS 109 1.451 3.482 -17.890 800 HG2 LYS 109 HG2 LYS 109 3.151 5.015 -18.794 801 HG3 LYS 109 HG3 LYS 109 3.720 3.756 -19.895 802 HD2 LYS 109 HD2 LYS 109 1.563 3.751 -21.059 803 HD3 LYS 109 HD3 LYS 109 0.900 4.913 -19.906 804 HE2 LYS 109 HE2 LYS 109 1.517 6.018 -22.013 805 HE3 LYS 109 HE3 LYS 109 2.520 6.608 -20.688 806 HZ1 LYS 109 HZ1 LYS 109 3.812 6.181 -22.684 807 HZ2 LYS 109 HZ2 LYS 109 3.335 4.561 -22.678 808 HZ3 LYS 109 HZ3 LYS 109 4.299 5.160 -21.427 809 H VAL 110 H VAL 110 3.561 2.562 -14.814 810 HA VAL 110 HA VAL 110 1.987 0.122 -14.296 811 HB VAL 110 HB VAL 110 3.479 1.924 -12.334 812 HG11 VAL 110 HG11 VAL 110 3.157 0.088 -10.683 813 HG12 VAL 110 HG12 VAL 110 2.135 -0.768 -11.841 814 HG13 VAL 110 HG13 VAL 110 1.627 0.799 -11.198 815 HG21 VAL 110 HG21 VAL 110 4.296 -0.784 -13.462 816 HG22 VAL 110 HG22 VAL 110 5.160 0.100 -12.200 817 HG23 VAL 110 HG23 VAL 110 5.049 0.771 -13.830 818 H LYS 111 H LYS 111 -0.162 0.354 -14.095 819 HA LYS 111 HA LYS 111 -1.306 3.052 -13.621 820 HB2 LYS 111 HB2 LYS 111 -2.361 0.801 -15.392 821 HB3 LYS 111 HB3 LYS 111 -3.087 2.401 -15.209 822 HG2 LYS 111 HG2 LYS 111 -0.959 3.399 -16.115 823 HG3 LYS 111 HG3 LYS 111 -0.376 1.762 -16.433 824 HD2 LYS 111 HD2 LYS 111 -2.871 3.015 -17.643 825 HD3 LYS 111 HD3 LYS 111 -1.308 2.886 -18.447 826 HE2 LYS 111 HE2 LYS 111 -1.491 0.388 -18.284 827 HE3 LYS 111 HE3 LYS 111 -3.108 0.592 -17.602 828 HZ1 LYS 111 HZ1 LYS 111 -3.805 1.675 -19.632 829 HZ2 LYS 111 HZ2 LYS 111 -3.151 0.156 -19.987 830 HZ3 LYS 111 HZ3 LYS 111 -2.244 1.553 -20.276 831 H ASN 112 H ASN 112 -3.208 3.252 -12.428 832 HA ASN 112 HA ASN 112 -4.602 2.922 -10.656 833 HB2 ASN 112 HB2 ASN 112 -4.882 0.180 -11.948 834 HB3 ASN 112 HB3 ASN 112 -5.942 0.770 -10.672 835 HD21 ASN 112 HD21 ASN 112 -7.426 2.401 -11.137 836 HD22 ASN 112 HD22 ASN 112 -7.819 2.848 -12.756 837 H HIS 113 H HIS 113 -1.836 2.481 -10.070 838 HA HIS 113 HA HIS 113 -1.326 0.178 -8.512 839 HB2 HIS 113 HB2 HIS 113 0.532 1.392 -9.410 840 HB3 HIS 113 HB3 HIS 113 0.020 2.887 -8.634 841 HD2 HIS 113 HD2 HIS 113 1.406 3.425 -6.399 842 HE1 HIS 113 HE1 HIS 113 2.535 -0.535 -5.442 843 HE2 HIS 113 HE2 HIS 113 2.508 1.864 -4.648 844 H LYS 114 H LYS 114 -1.612 -0.314 -6.424 845 HA LYS 114 HA LYS 114 -2.615 1.669 -4.478 846 HB2 LYS 114 HB2 LYS 114 -3.851 -1.062 -5.055 847 HB3 LYS 114 HB3 LYS 114 -4.264 -0.072 -3.658 848 HG2 LYS 114 HG2 LYS 114 -5.145 1.683 -5.149 849 HG3 LYS 114 HG3 LYS 114 -4.716 0.712 -6.562 850 HD2 LYS 114 HD2 LYS 114 -6.298 -1.040 -5.862 851 HD3 LYS 114 HD3 LYS 114 -6.682 -0.137 -4.394 852 HE2 LYS 114 HE2 LYS 114 -7.626 1.691 -5.775 853 HE3 LYS 114 HE3 LYS 114 -7.251 0.775 -7.239 854 HZ1 LYS 114 HZ1 LYS 114 -9.083 -0.119 -5.080 855 HZ2 LYS 114 HZ2 LYS 114 -8.760 -0.948 -6.515 856 HZ3 LYS 114 HZ3 LYS 114 -9.568 0.537 -6.565 857 H TRP 115 H TRP 115 -0.871 -0.049 -1.857 858 HA TRP 115 HA TRP 115 -2.141 2.370 -3.017 859 HB2 TRP 115 HB2 TRP 115 -1.871 1.513 -0.105 860 HB3 TRP 115 HB3 TRP 115 -2.568 3.042 -0.629 861 HD1 TRP 115 HD1 TRP 115 -3.478 -0.552 -0.009 862 HE1 TRP 115 HE1 TRP 115 -5.948 -0.924 -0.601 863 HE3 TRP 115 HE3 TRP 115 -4.414 3.863 -2.423 864 HZ2 TRP 115 HZ2 TRP 115 -8.017 0.448 -1.920 865 HZ3 TRP 115 HZ3 TRP 115 -6.669 4.253 -3.323 866 HH2 TRP 115 HH2 TRP 115 -8.433 2.576 -3.074 867 H VAL 116 H VAL 116 -1.309 4.388 -2.620 868 HA VAL 116 HA VAL 116 1.324 4.702 -1.279 869 HB VAL 116 HB VAL 116 1.757 6.702 -2.741 870 HG11 VAL 116 HG11 VAL 116 2.433 5.490 -4.784 871 HG12 VAL 116 HG12 VAL 116 1.432 4.116 -4.309 872 HG13 VAL 116 HG13 VAL 116 2.827 4.570 -3.330 873 HG21 VAL 116 HG21 VAL 116 -0.574 7.224 -3.357 874 HG22 VAL 116 HG22 VAL 116 -0.664 5.753 -4.326 875 HG23 VAL 116 HG23 VAL 116 0.428 7.057 -4.801 876 H THR 117 H THR 117 1.567 6.829 -0.208 877 HA THR 117 HA THR 117 -1.024 8.107 0.536 878 HB THR 117 HB THR 117 -0.023 8.702 2.731 879 HG1 THR 117 HG1 THR 117 2.134 6.945 2.147 880 HG21 THR 117 HG21 THR 117 0.121 5.733 2.111 881 HG22 THR 117 HG22 THR 117 -1.334 6.627 2.559 882 HG23 THR 117 HG23 THR 117 -0.020 6.439 3.724 883 H GLU 118 H GLU 118 -0.889 10.417 1.159 884 HA GLU 118 HA GLU 118 0.410 12.034 -0.749 885 HB2 GLU 118 HB2 GLU 118 -1.624 12.746 0.427 886 HB3 GLU 118 HB3 GLU 118 -0.757 12.817 1.956 887 HG2 GLU 118 HG2 GLU 118 0.547 14.704 1.222 888 HG3 GLU 118 HG3 GLU 118 -0.032 14.540 -0.433 889 H ASP 119 H ASP 119 1.331 11.156 2.547 890 HA ASP 119 HA ASP 119 3.596 12.837 2.833 891 HB2 ASP 119 HB2 ASP 119 2.380 11.666 4.707 892 HB3 ASP 119 HB3 ASP 119 3.058 10.139 4.152 893 H GLU 120 H GLU 120 3.116 9.698 1.324 894 HA GLU 120 HA GLU 120 5.938 9.115 0.879 895 HB2 GLU 120 HB2 GLU 120 4.293 7.330 1.390 896 HB3 GLU 120 HB3 GLU 120 3.404 7.709 -0.078 897 HG2 GLU 120 HG2 GLU 120 5.169 6.871 -1.466 898 HG3 GLU 120 HG3 GLU 120 6.283 6.768 -0.106 899 H LEU 121 H LEU 121 3.601 11.034 -0.638 900 HA LEU 121 HA LEU 121 5.013 11.057 -3.246 901 HB2 LEU 121 HB2 LEU 121 2.189 12.010 -2.577 902 HB3 LEU 121 HB3 LEU 121 2.941 12.108 -4.164 903 HG LEU 121 HG LEU 121 2.253 9.514 -2.714 904 HD11 LEU 121 HD11 LEU 121 0.810 10.840 -5.035 905 HD12 LEU 121 HD12 LEU 121 0.221 10.693 -3.377 906 HD13 LEU 121 HD13 LEU 121 0.446 9.248 -4.357 907 HD21 LEU 121 HD21 LEU 121 3.294 9.940 -5.539 908 HD22 LEU 121 HD22 LEU 121 2.766 8.399 -4.855 909 HD23 LEU 121 HD23 LEU 121 4.177 9.215 -4.190 910 H SER 122 H SER 122 4.918 13.345 -4.255 911 HA SER 122 HA SER 122 4.975 15.569 -2.296 912 HB2 SER 122 HB2 SER 122 7.345 14.942 -2.715 913 HB3 SER 122 HB3 SER 122 7.093 15.089 -4.453 914 HG SER 122 HG SER 122 8.051 16.963 -3.378 915 H ALA 123 H ALA 123 4.012 17.422 -3.087 916 HA ALA 123 HA ALA 123 2.396 17.223 -5.440 917 HB1 ALA 123 HB1 ALA 123 2.929 19.616 -3.655 918 HB2 ALA 123 HB2 ALA 123 1.643 18.426 -3.451 919 HB3 ALA 123 HB3 ALA 123 1.642 19.487 -4.858 920 H LYS 124 H LYS 124 2.628 18.180 -7.455 921 HA LYS 124 HA LYS 124 5.344 18.927 -8.245 922 HB2 LYS 124 HB2 LYS 124 3.989 17.235 -9.507 923 HB3 LYS 124 HB3 LYS 124 2.854 18.506 -9.946 924 HG2 LYS 124 HG2 LYS 124 4.733 19.673 -11.155 925 HG3 LYS 124 HG3 LYS 124 5.763 18.275 -10.806 926 HD2 LYS 124 HD2 LYS 124 4.183 16.813 -12.031 927 HD3 LYS 124 HD3 LYS 124 3.157 18.208 -12.376 928 HE2 LYS 124 HE2 LYS 124 5.095 19.211 -13.640 929 HE3 LYS 124 HE3 LYS 124 5.964 17.693 -13.408 930 HZ1 LYS 124 HZ1 LYS 124 4.174 16.555 -14.583 931 HZ2 LYS 124 HZ2 LYS 124 4.886 17.745 -15.550 932 HZ3 LYS 124 HZ3 LYS 124 3.377 18.025 -14.834 933 H LEU 125 H LEU 125 4.974 20.963 -6.862 934 HA LEU 125 HA LEU 125 3.976 23.196 -8.556 935 HB2 LEU 125 HB2 LEU 125 4.033 22.928 -5.526 936 HB3 LEU 125 HB3 LEU 125 3.917 24.496 -6.295 937 HG LEU 125 HG LEU 125 1.714 23.888 -5.614 938 HD11 LEU 125 HD11 LEU 125 0.442 23.887 -7.685 939 HD12 LEU 125 HD12 LEU 125 1.874 23.400 -8.594 940 HD13 LEU 125 HD13 LEU 125 1.825 24.975 -7.796 941 HD21 LEU 125 HD21 LEU 125 1.989 21.248 -7.073 942 HD22 LEU 125 HD22 LEU 125 0.553 21.838 -6.232 943 HD23 LEU 125 HD23 LEU 125 2.019 21.477 -5.324 944 H GLU 126 H GLU 126 6.570 22.114 -6.383 945 HA GLU 126 HA GLU 126 8.211 24.472 -6.770 946 HB2 GLU 126 HB2 GLU 126 8.762 21.799 -5.419 947 HB3 GLU 126 HB3 GLU 126 9.902 23.142 -5.433 948 HG2 GLU 126 HG2 GLU 126 8.337 24.534 -4.183 949 HG3 GLU 126 HG3 GLU 126 7.119 23.263 -4.237 950 H HIS 127 H HIS 127 10.362 24.474 -7.624 951 HA HIS 127 HA HIS 127 10.794 22.999 -10.065 952 HB2 HIS 127 HB2 HIS 127 12.714 24.801 -8.524 953 HB3 HIS 127 HB3 HIS 127 12.937 24.237 -10.175 954 HD1 HIS 127 HD1 HIS 127 11.303 26.867 -8.173 955 HD2 HIS 127 HD2 HIS 127 11.149 25.462 -12.079 956 HE1 HIS 127 HE1 HIS 127 10.116 28.649 -9.476 957 HE2 HIS 127 HE2 HIS 127 10.139 27.831 -11.859 958 H HIS 128 H HIS 128 10.826 20.831 -9.447 959 HA HIS 128 HA HIS 128 12.507 19.809 -7.313 960 HB2 HIS 128 HB2 HIS 128 11.507 17.550 -8.061 961 HB3 HIS 128 HB3 HIS 128 10.387 18.759 -7.447 962 HD1 HIS 128 HD1 HIS 128 11.551 17.313 -10.774 963 HD2 HIS 128 HD2 HIS 128 8.333 19.405 -9.172 964 HE1 HIS 128 HE1 HIS 128 9.831 17.394 -12.595 965 HE2 HIS 128 HE2 HIS 128 8.025 18.880 -11.682 966 H HIS 129 H HIS 129 14.478 20.687 -8.440 967 HA HIS 129 HA HIS 129 15.624 18.965 -10.529 968 HB2 HIS 129 HB2 HIS 129 16.697 21.474 -9.170 969 HB3 HIS 129 HB3 HIS 129 17.545 20.594 -10.437 970 HD1 HIS 129 HD1 HIS 129 15.289 23.358 -9.993 971 HD2 HIS 129 HD2 HIS 129 15.903 20.503 -12.953 972 HE1 HIS 129 HE1 HIS 129 14.199 24.285 -12.051 973 HE2 HIS 129 HE2 HIS 129 14.747 22.634 -13.867 974 H HIS 130 H HIS 130 15.265 18.575 -7.337 975 HA HIS 130 HA HIS 130 17.834 17.136 -6.949 976 HB2 HIS 130 HB2 HIS 130 15.871 18.153 -4.841 977 HB3 HIS 130 HB3 HIS 130 17.332 17.230 -4.507 978 HD1 HIS 130 HD1 HIS 130 19.260 18.623 -3.840 979 HD2 HIS 130 HD2 HIS 130 16.605 20.756 -6.218 980 HE1 HIS 130 HE1 HIS 130 20.121 20.974 -3.867 981 HE2 HIS 130 HE2 HIS 130 18.360 22.281 -5.083 982 H HIS 131 H HIS 131 17.540 15.010 -7.460 983 HA HIS 131 HA HIS 131 15.036 13.589 -7.039 984 HB2 HIS 131 HB2 HIS 131 16.578 13.016 -8.937 985 HB3 HIS 131 HB3 HIS 131 17.795 12.488 -7.782 986 HD1 HIS 131 HD1 HIS 131 16.934 10.371 -6.192 987 HD2 HIS 131 HD2 HIS 131 14.924 11.015 -9.780 988 HE1 HIS 131 HE1 HIS 131 15.739 8.228 -6.692 989 HE2 HIS 131 HE2 HIS 131 14.575 8.615 -8.883 990 H HIS 132 H HIS 132 14.458 12.728 -5.090 991 HA HIS 132 HA HIS 132 16.483 12.358 -2.969 992 HB2 HIS 132 HB2 HIS 132 13.436 12.511 -2.791 993 HB3 HIS 132 HB3 HIS 132 14.529 12.366 -1.416 994 HD1 HIS 132 HD1 HIS 132 15.931 14.475 -0.780 995 HD2 HIS 132 HD2 HIS 132 13.266 15.104 -3.912 996 HE1 HIS 132 HE1 HIS 132 15.797 16.962 -1.062 997 HE2 HIS 132 HE2 HIS 132 14.100 17.325 -2.873 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -4.357 16.234 -0.999 2 H2 MET 1 H2 MET 1 -4.976 14.716 -1.417 3 H3 MET 1 H3 MET 1 -6.022 15.949 -0.916 4 HA MET 1 HA MET 1 -5.578 17.242 -2.826 5 HB2 MET 1 HB2 MET 1 -4.078 16.446 -4.624 6 HB3 MET 1 HB3 MET 1 -3.208 16.647 -3.112 7 HG2 MET 1 HG2 MET 1 -3.347 14.190 -2.746 8 HG3 MET 1 HG3 MET 1 -4.128 14.031 -4.319 9 HE1 MET 1 HE1 MET 1 -1.073 16.394 -3.245 10 HE2 MET 1 HE2 MET 1 0.270 15.349 -3.709 11 HE3 MET 1 HE3 MET 1 -0.803 14.871 -2.394 12 H LYS 2 H LYS 2 -6.579 16.841 -4.963 13 HA LYS 2 HA LYS 2 -8.681 14.789 -4.664 14 HB2 LYS 2 HB2 LYS 2 -9.327 17.190 -4.719 15 HB3 LYS 2 HB3 LYS 2 -8.615 17.352 -6.319 16 HG2 LYS 2 HG2 LYS 2 -10.310 15.993 -7.319 17 HG3 LYS 2 HG3 LYS 2 -10.880 15.421 -5.751 18 HD2 LYS 2 HD2 LYS 2 -12.441 17.071 -6.692 19 HD3 LYS 2 HD3 LYS 2 -11.716 17.671 -5.202 20 HE2 LYS 2 HE2 LYS 2 -10.146 19.054 -6.533 21 HE3 LYS 2 HE3 LYS 2 -10.904 18.470 -8.018 22 HZ1 LYS 2 HZ1 LYS 2 -11.747 20.630 -7.353 23 HZ2 LYS 2 HZ2 LYS 2 -12.268 19.998 -5.871 24 HZ3 LYS 2 HZ3 LYS 2 -12.976 19.467 -7.310 25 H VAL 3 H VAL 3 -9.550 13.775 -6.645 26 HA VAL 3 HA VAL 3 -7.606 12.447 -8.186 27 HB VAL 3 HB VAL 3 -10.601 12.690 -8.746 28 HG11 VAL 3 HG11 VAL 3 -10.363 10.551 -9.992 29 HG12 VAL 3 HG12 VAL 3 -8.613 10.614 -9.761 30 HG13 VAL 3 HG13 VAL 3 -9.421 11.848 -10.730 31 HG21 VAL 3 HG21 VAL 3 -9.097 10.571 -7.149 32 HG22 VAL 3 HG22 VAL 3 -10.821 10.542 -7.530 33 HG23 VAL 3 HG23 VAL 3 -10.173 11.805 -6.485 34 H GLY 4 H GLY 4 -6.741 12.816 -10.127 35 HA2 GLY 4 HA2 GLY 4 -6.660 13.671 -12.374 36 HA3 GLY 4 HA3 GLY 4 -7.621 15.050 -11.866 37 H SER 5 H SER 5 -5.512 14.789 -9.405 38 HA SER 5 HA SER 5 -3.811 16.931 -10.303 39 HB2 SER 5 HB2 SER 5 -3.688 15.293 -7.732 40 HB3 SER 5 HB3 SER 5 -2.773 16.769 -8.045 41 HG SER 5 HG SER 5 -5.598 16.516 -7.898 42 H GLN 6 H GLN 6 -1.720 16.866 -11.041 43 HA GLN 6 HA GLN 6 -0.404 14.251 -11.439 44 HB2 GLN 6 HB2 GLN 6 0.137 16.979 -12.689 45 HB3 GLN 6 HB3 GLN 6 1.194 15.595 -12.923 46 HG2 GLN 6 HG2 GLN 6 -0.205 15.757 -14.852 47 HG3 GLN 6 HG3 GLN 6 -0.737 14.350 -13.937 48 HE21 GLN 6 HE21 GLN 6 -2.792 14.351 -14.852 49 HE22 GLN 6 HE22 GLN 6 -3.977 15.554 -14.502 50 H VAL 7 H VAL 7 1.279 13.647 -10.229 51 HA VAL 7 HA VAL 7 2.631 15.593 -8.444 52 HB VAL 7 HB VAL 7 2.508 13.962 -6.565 53 HG11 VAL 7 HG11 VAL 7 0.128 14.282 -5.985 54 HG12 VAL 7 HG12 VAL 7 -0.234 14.701 -7.659 55 HG13 VAL 7 HG13 VAL 7 0.813 15.745 -6.697 56 HG21 VAL 7 HG21 VAL 7 2.276 11.849 -7.843 57 HG22 VAL 7 HG22 VAL 7 0.660 12.324 -8.363 58 HG23 VAL 7 HG23 VAL 7 0.978 12.004 -6.658 59 H ILE 8 H ILE 8 4.716 15.040 -7.773 60 HA ILE 8 HA ILE 8 6.158 12.954 -9.258 61 HB ILE 8 HB ILE 8 7.268 15.134 -7.423 62 HG12 ILE 8 HG12 ILE 8 6.180 16.175 -9.378 63 HG13 ILE 8 HG13 ILE 8 7.926 16.344 -9.503 64 HG21 ILE 8 HG21 ILE 8 8.732 13.313 -9.378 65 HG22 ILE 8 HG22 ILE 8 8.817 13.239 -7.619 66 HG23 ILE 8 HG23 ILE 8 9.463 14.641 -8.470 67 HD11 ILE 8 HD11 ILE 8 6.222 14.353 -11.012 68 HD12 ILE 8 HD12 ILE 8 7.977 14.511 -11.138 69 HD13 ILE 8 HD13 ILE 8 6.934 15.834 -11.652 70 H ILE 9 H ILE 9 6.776 11.092 -8.300 71 HA ILE 9 HA ILE 9 5.964 10.445 -5.588 72 HB ILE 9 HB ILE 9 7.554 8.760 -7.582 73 HG12 ILE 9 HG12 ILE 9 4.521 8.779 -7.165 74 HG13 ILE 9 HG13 ILE 9 5.348 9.518 -8.533 75 HG21 ILE 9 HG21 ILE 9 5.943 7.894 -5.149 76 HG22 ILE 9 HG22 ILE 9 7.703 7.886 -5.293 77 HG23 ILE 9 HG23 ILE 9 6.735 6.808 -6.296 78 HD11 ILE 9 HD11 ILE 9 6.145 7.316 -9.246 79 HD12 ILE 9 HD12 ILE 9 4.387 7.375 -9.130 80 HD13 ILE 9 HD13 ILE 9 5.322 6.572 -7.871 81 H ASN 10 H ASN 10 7.249 11.055 -3.854 82 HA ASN 10 HA ASN 10 10.078 11.718 -4.284 83 HB2 ASN 10 HB2 ASN 10 8.583 13.317 -3.070 84 HB3 ASN 10 HB3 ASN 10 8.348 12.118 -1.801 85 HD21 ASN 10 HD21 ASN 10 9.208 13.533 -0.235 86 HD22 ASN 10 HD22 ASN 10 10.894 13.883 -0.139 87 H THR 11 H THR 11 8.238 9.787 -1.874 88 HA THR 11 HA THR 11 10.551 8.033 -1.350 89 HB THR 11 HB THR 11 7.715 7.942 -0.230 90 HG1 THR 11 HG1 THR 11 8.876 8.721 1.707 91 HG21 THR 11 HG21 THR 11 8.768 5.730 -0.084 92 HG22 THR 11 HG22 THR 11 8.640 6.455 1.520 93 HG23 THR 11 HG23 THR 11 10.193 6.443 0.683 94 H SER 12 H SER 12 10.588 5.842 -2.052 95 HA SER 12 HA SER 12 8.485 5.005 -3.971 96 HB2 SER 12 HB2 SER 12 10.240 4.303 -5.569 97 HB3 SER 12 HB3 SER 12 10.324 6.031 -5.254 98 HG SER 12 HG SER 12 12.006 4.003 -4.189 99 H HIS 13 H HIS 13 7.745 3.047 -3.481 100 HA HIS 13 HA HIS 13 9.056 1.117 -1.816 101 HB2 HIS 13 HB2 HIS 13 6.687 0.750 -3.712 102 HB3 HIS 13 HB3 HIS 13 7.176 -0.386 -2.458 103 HD2 HIS 13 HD2 HIS 13 5.797 3.339 -2.596 104 HE1 HIS 13 HE1 HIS 13 4.562 1.462 0.990 105 HE2 HIS 13 HE2 HIS 13 4.375 3.546 -0.447 106 H MET 14 H MET 14 8.759 1.596 -5.310 107 HA MET 14 HA MET 14 10.852 -0.451 -5.836 108 HB2 MET 14 HB2 MET 14 8.824 0.722 -7.796 109 HB3 MET 14 HB3 MET 14 9.978 -0.529 -8.154 110 HG2 MET 14 HG2 MET 14 7.866 -1.602 -7.912 111 HG3 MET 14 HG3 MET 14 8.776 -1.976 -6.451 112 HE1 MET 14 HE1 MET 14 5.526 -2.284 -6.705 113 HE2 MET 14 HE2 MET 14 5.041 -1.635 -5.139 114 HE3 MET 14 HE3 MET 14 6.432 -2.712 -5.250 115 H LYS 15 H LYS 15 12.731 0.256 -6.985 116 HA LYS 15 HA LYS 15 13.573 2.850 -6.295 117 HB2 LYS 15 HB2 LYS 15 15.714 2.263 -7.520 118 HB3 LYS 15 HB3 LYS 15 15.197 1.125 -6.292 119 HG2 LYS 15 HG2 LYS 15 15.875 -0.318 -7.964 120 HG3 LYS 15 HG3 LYS 15 14.149 -0.202 -8.296 121 HD2 LYS 15 HD2 LYS 15 14.652 1.509 -10.064 122 HD3 LYS 15 HD3 LYS 15 16.375 1.275 -9.757 123 HE2 LYS 15 HE2 LYS 15 14.432 -0.837 -10.757 124 HE3 LYS 15 HE3 LYS 15 15.656 -0.011 -11.721 125 HZ1 LYS 15 HZ1 LYS 15 17.362 -1.028 -10.344 126 HZ2 LYS 15 HZ2 LYS 15 16.374 -2.204 -11.046 127 HZ3 LYS 15 HZ3 LYS 15 16.181 -1.807 -9.416 128 H GLY 16 H GLY 16 12.318 1.727 -9.391 129 HA2 GLY 16 HA2 GLY 16 13.186 4.017 -10.938 130 HA3 GLY 16 HA3 GLY 16 12.075 2.763 -11.456 131 H MET 17 H MET 17 10.832 3.822 -8.627 132 HA MET 17 HA MET 17 8.750 5.400 -9.951 133 HB2 MET 17 HB2 MET 17 8.978 4.343 -7.102 134 HB3 MET 17 HB3 MET 17 7.564 5.177 -7.752 135 HG2 MET 17 HG2 MET 17 7.087 3.390 -9.240 136 HG3 MET 17 HG3 MET 17 8.658 2.642 -8.983 137 HE1 MET 17 HE1 MET 17 6.527 4.055 -5.939 138 HE2 MET 17 HE2 MET 17 5.496 2.660 -5.616 139 HE3 MET 17 HE3 MET 17 5.285 3.595 -7.100 140 H LYS 18 H LYS 18 11.452 5.870 -7.765 141 HA LYS 18 HA LYS 18 10.666 8.367 -6.668 142 HB2 LYS 18 HB2 LYS 18 12.416 6.823 -5.720 143 HB3 LYS 18 HB3 LYS 18 13.505 7.322 -7.005 144 HG2 LYS 18 HG2 LYS 18 13.609 9.572 -6.163 145 HG3 LYS 18 HG3 LYS 18 12.278 9.277 -5.038 146 HD2 LYS 18 HD2 LYS 18 13.718 7.638 -3.815 147 HD3 LYS 18 HD3 LYS 18 15.053 8.022 -4.907 148 HE2 LYS 18 HE2 LYS 18 13.673 10.013 -3.070 149 HE3 LYS 18 HE3 LYS 18 15.210 9.216 -2.730 150 HZ1 LYS 18 HZ1 LYS 18 14.686 11.029 -5.026 151 HZ2 LYS 18 HZ2 LYS 18 16.160 10.275 -4.672 152 HZ3 LYS 18 HZ3 LYS 18 15.529 11.437 -3.617 153 H GLY 19 H GLY 19 10.593 10.319 -7.588 154 HA2 GLY 19 HA2 GLY 19 11.179 12.151 -8.900 155 HA3 GLY 19 HA3 GLY 19 12.346 11.165 -9.767 156 H ALA 20 H ALA 20 9.543 9.380 -9.759 157 HA ALA 20 HA ALA 20 9.079 9.892 -12.571 158 HB1 ALA 20 HB1 ALA 20 7.661 7.951 -10.723 159 HB2 ALA 20 HB2 ALA 20 9.097 7.596 -11.683 160 HB3 ALA 20 HB3 ALA 20 7.573 7.970 -12.488 161 H GLU 21 H GLU 21 7.108 10.431 -13.560 162 HA GLU 21 HA GLU 21 5.454 12.348 -12.088 163 HB2 GLU 21 HB2 GLU 21 5.608 11.678 -15.061 164 HB3 GLU 21 HB3 GLU 21 4.612 12.957 -14.368 165 HG2 GLU 21 HG2 GLU 21 6.641 14.101 -13.545 166 HG3 GLU 21 HG3 GLU 21 7.640 12.818 -14.219 167 H ALA 22 H ALA 22 3.946 11.250 -10.896 168 HA ALA 22 HA ALA 22 2.207 9.212 -12.091 169 HB1 ALA 22 HB1 ALA 22 3.101 8.818 -9.833 170 HB2 ALA 22 HB2 ALA 22 1.340 8.916 -9.806 171 HB3 ALA 22 HB3 ALA 22 2.312 10.284 -9.250 172 H THR 23 H THR 23 -0.118 9.355 -11.826 173 HA THR 23 HA THR 23 -1.303 12.055 -11.497 174 HB THR 23 HB THR 23 -2.240 9.959 -13.528 175 HG1 THR 23 HG1 THR 23 -0.488 10.888 -14.451 176 HG21 THR 23 HG21 THR 23 -3.791 11.711 -14.329 177 HG22 THR 23 HG22 THR 23 -3.229 12.810 -13.068 178 HG23 THR 23 HG23 THR 23 -4.104 11.340 -12.632 179 H VAL 24 H VAL 24 -2.961 12.078 -10.059 180 HA VAL 24 HA VAL 24 -3.573 9.733 -8.488 181 HB VAL 24 HB VAL 24 -4.803 12.533 -8.360 182 HG11 VAL 24 HG11 VAL 24 -5.563 11.918 -6.080 183 HG12 VAL 24 HG12 VAL 24 -4.966 10.274 -6.319 184 HG13 VAL 24 HG13 VAL 24 -6.294 10.884 -7.308 185 HG21 VAL 24 HG21 VAL 24 -3.279 12.931 -6.453 186 HG22 VAL 24 HG22 VAL 24 -2.375 12.579 -7.925 187 HG23 VAL 24 HG23 VAL 24 -2.555 11.336 -6.685 188 H THR 25 H THR 25 -4.846 8.208 -9.486 189 HA THR 25 HA THR 25 -7.108 9.014 -11.209 190 HB THR 25 HB THR 25 -7.161 6.637 -11.924 191 HG1 THR 25 HG1 THR 25 -5.918 5.131 -11.001 192 HG21 THR 25 HG21 THR 25 -5.688 8.172 -13.171 193 HG22 THR 25 HG22 THR 25 -4.981 6.559 -13.095 194 HG23 THR 25 HG23 THR 25 -4.366 7.838 -12.046 195 H GLY 26 H GLY 26 -6.520 7.986 -7.998 196 HA2 GLY 26 HA2 GLY 26 -9.370 7.932 -7.410 197 HA3 GLY 26 HA3 GLY 26 -8.528 6.415 -7.105 198 H ALA 27 H ALA 27 -9.787 8.570 -5.298 199 HA ALA 27 HA ALA 27 -7.461 8.997 -3.487 200 HB1 ALA 27 HB1 ALA 27 -9.795 10.908 -3.911 201 HB2 ALA 27 HB2 ALA 27 -8.154 11.131 -4.522 202 HB3 ALA 27 HB3 ALA 27 -8.452 11.137 -2.784 203 H TYR 28 H TYR 28 -7.667 7.955 -1.596 204 HA TYR 28 HA TYR 28 -10.334 7.491 -0.372 205 HB2 TYR 28 HB2 TYR 28 -8.042 5.524 -0.753 206 HB3 TYR 28 HB3 TYR 28 -9.203 5.302 0.550 207 HD1 TYR 28 HD1 TYR 28 -9.048 5.693 -3.198 208 HD2 TYR 28 HD2 TYR 28 -11.208 4.108 0.135 209 HE1 TYR 28 HE1 TYR 28 -10.576 4.531 -4.733 210 HE2 TYR 28 HE2 TYR 28 -12.723 2.945 -1.404 211 HH TYR 28 HH TYR 28 -13.517 3.211 -3.758 212 H ASP 29 H ASP 29 -10.460 8.418 1.582 213 HA ASP 29 HA ASP 29 -8.014 8.945 3.175 214 HB2 ASP 29 HB2 ASP 29 -9.399 10.654 4.382 215 HB3 ASP 29 HB3 ASP 29 -9.214 10.981 2.665 216 H THR 30 H THR 30 -7.841 6.810 3.964 217 HA THR 30 HA THR 30 -9.888 5.900 5.910 218 HB THR 30 HB THR 30 -10.380 4.744 3.804 219 HG1 THR 30 HG1 THR 30 -10.406 2.684 4.625 220 HG21 THR 30 HG21 THR 30 -7.532 3.683 3.887 221 HG22 THR 30 HG22 THR 30 -8.150 4.867 2.731 222 HG23 THR 30 HG23 THR 30 -8.778 3.217 2.729 223 H THR 31 H THR 31 -9.036 3.793 7.033 224 HA THR 31 HA THR 31 -6.597 4.471 8.431 225 HB THR 31 HB THR 31 -8.407 2.027 8.759 226 HG1 THR 31 HG1 THR 31 -9.114 3.344 10.643 227 HG21 THR 31 HG21 THR 31 -6.302 3.166 10.654 228 HG22 THR 31 HG22 THR 31 -6.172 1.647 9.765 229 HG23 THR 31 HG23 THR 31 -7.396 1.832 11.019 230 H ALA 32 H ALA 32 -4.609 3.817 7.836 231 HA ALA 32 HA ALA 32 -4.231 1.522 5.997 232 HB1 ALA 32 HB1 ALA 32 -2.415 3.914 6.456 233 HB2 ALA 32 HB2 ALA 32 -3.515 3.710 5.092 234 HB3 ALA 32 HB3 ALA 32 -2.151 2.609 5.293 235 H TYR 33 H TYR 33 -3.594 -0.242 7.087 236 HA TYR 33 HA TYR 33 -2.260 -0.126 9.670 237 HB2 TYR 33 HB2 TYR 33 -3.254 -2.522 8.060 238 HB3 TYR 33 HB3 TYR 33 -2.633 -2.600 9.706 239 HD1 TYR 33 HD1 TYR 33 -3.898 -1.156 11.500 240 HD2 TYR 33 HD2 TYR 33 -5.603 -2.241 7.732 241 HE1 TYR 33 HE1 TYR 33 -6.148 -0.788 12.407 242 HE2 TYR 33 HE2 TYR 33 -7.856 -1.867 8.649 243 HH TYR 33 HH TYR 33 -8.429 -0.233 11.528 244 H VAL 34 H VAL 34 -0.303 -1.016 10.160 245 HA VAL 34 HA VAL 34 1.542 -1.866 7.997 246 HB VAL 34 HB VAL 34 2.209 -1.014 10.871 247 HG11 VAL 34 HG11 VAL 34 4.060 -1.532 8.513 248 HG12 VAL 34 HG12 VAL 34 3.895 -2.542 9.951 249 HG13 VAL 34 HG13 VAL 34 4.561 -0.917 10.092 250 HG21 VAL 34 HG21 VAL 34 1.333 0.911 9.607 251 HG22 VAL 34 HG22 VAL 34 2.480 0.606 8.300 252 HG23 VAL 34 HG23 VAL 34 3.064 1.102 9.890 253 H VAL 35 H VAL 35 1.800 -4.072 7.853 254 HA VAL 35 HA VAL 35 1.193 -5.770 10.236 255 HB VAL 35 HB VAL 35 0.449 -7.560 8.650 256 HG11 VAL 35 HG11 VAL 35 -1.234 -6.089 9.681 257 HG12 VAL 35 HG12 VAL 35 -1.734 -6.568 8.059 258 HG13 VAL 35 HG13 VAL 35 -1.088 -4.949 8.340 259 HG21 VAL 35 HG21 VAL 35 1.722 -6.885 6.635 260 HG22 VAL 35 HG22 VAL 35 0.724 -5.439 6.471 261 HG23 VAL 35 HG23 VAL 35 0.001 -7.036 6.268 262 H SER 36 H SER 36 2.210 -7.940 10.219 263 HA SER 36 HA SER 36 4.654 -8.255 8.577 264 HB2 SER 36 HB2 SER 36 5.942 -9.090 10.478 265 HB3 SER 36 HB3 SER 36 5.325 -7.487 10.887 266 HG SER 36 HG SER 36 3.822 -8.402 12.220 267 H TYR 37 H TYR 37 4.909 -10.331 7.782 268 HA TYR 37 HA TYR 37 3.335 -12.571 8.776 269 HB2 TYR 37 HB2 TYR 37 2.242 -12.982 6.544 270 HB3 TYR 37 HB3 TYR 37 1.672 -11.528 7.346 271 HD1 TYR 37 HD2 TYR 37 2.233 -9.290 6.455 272 HD2 TYR 37 HD1 TYR 37 3.513 -12.828 4.420 273 HE1 TYR 37 HE2 TYR 37 2.725 -7.965 4.453 274 HE2 TYR 37 HE1 TYR 37 4.010 -11.489 2.420 275 HH TYR 37 HH TYR 37 4.189 -8.123 2.456 276 H THR 38 H THR 38 3.864 -14.570 7.832 277 HA THR 38 HA THR 38 6.470 -14.742 6.442 278 HB THR 38 HB THR 38 4.872 -16.963 7.822 279 HG1 THR 38 HG1 THR 38 6.546 -16.727 9.442 280 HG21 THR 38 HG21 THR 38 7.746 -16.946 6.794 281 HG22 THR 38 HG22 THR 38 6.402 -17.835 6.068 282 HG23 THR 38 HG23 THR 38 6.981 -18.265 7.679 283 HA PRO 39 HA PRO 39 3.758 -15.314 2.741 284 HB2 PRO 39 HB2 PRO 39 6.435 -15.926 1.492 285 HB3 PRO 39 HB3 PRO 39 5.151 -14.842 0.931 286 HG2 PRO 39 HG2 PRO 39 7.346 -13.823 2.054 287 HG3 PRO 39 HG3 PRO 39 5.751 -13.139 2.441 288 HD2 PRO 39 HD2 PRO 39 7.452 -15.032 4.075 289 HD3 PRO 39 HD3 PRO 39 6.523 -13.609 4.605 290 H THR 40 H THR 40 2.667 -17.131 2.299 291 HA THR 40 HA THR 40 3.153 -19.597 3.532 292 HB THR 40 HB THR 40 1.229 -20.466 2.137 293 HG1 THR 40 HG1 THR 40 0.759 -17.918 1.095 294 HG21 THR 40 HG21 THR 40 -0.478 -18.927 3.036 295 HG22 THR 40 HG22 THR 40 0.774 -17.738 3.396 296 HG23 THR 40 HG23 THR 40 0.756 -19.283 4.250 297 H ASN 41 H ASN 41 4.191 -18.564 0.364 298 HA ASN 41 HA ASN 41 4.505 -21.158 -0.834 299 HB2 ASN 41 HB2 ASN 41 5.691 -19.954 -2.632 300 HB3 ASN 41 HB3 ASN 41 4.195 -19.131 -2.209 301 HD21 ASN 41 HD21 ASN 41 6.735 -18.164 -3.452 302 HD22 ASN 41 HD22 ASN 41 7.206 -16.810 -2.491 303 H GLY 42 H GLY 42 6.225 -19.850 1.689 304 HA2 GLY 42 HA2 GLY 42 8.261 -20.523 2.648 305 HA3 GLY 42 HA3 GLY 42 8.714 -21.307 1.141 306 H GLY 43 H GLY 43 7.614 -18.002 1.685 307 HA2 GLY 43 HA2 GLY 43 9.892 -16.918 0.169 308 HA3 GLY 43 HA3 GLY 43 8.414 -16.069 0.601 309 H GLN 44 H GLN 44 11.089 -15.059 0.941 310 HA GLN 44 HA GLN 44 12.114 -15.184 3.534 311 HB2 GLN 44 HB2 GLN 44 13.302 -14.059 1.686 312 HB3 GLN 44 HB3 GLN 44 12.089 -12.786 1.647 313 HG2 GLN 44 HG2 GLN 44 12.756 -12.121 3.953 314 HG3 GLN 44 HG3 GLN 44 14.010 -13.358 3.929 315 HE21 GLN 44 HE21 GLN 44 15.845 -13.027 2.606 316 HE22 GLN 44 HE22 GLN 44 16.249 -11.468 1.988 317 H ARG 45 H ARG 45 11.328 -14.586 5.463 318 HA ARG 45 HA ARG 45 8.748 -13.738 5.941 319 HB2 ARG 45 HB2 ARG 45 10.665 -14.806 7.492 320 HB3 ARG 45 HB3 ARG 45 10.853 -13.149 8.033 321 HG2 ARG 45 HG2 ARG 45 8.222 -14.656 8.109 322 HG3 ARG 45 HG3 ARG 45 9.356 -14.605 9.453 323 HD2 ARG 45 HD2 ARG 45 9.015 -12.239 9.733 324 HD3 ARG 45 HD3 ARG 45 8.072 -12.139 8.239 325 HE ARG 45 HE ARG 45 6.666 -13.936 9.662 326 HH11 ARG 45 HH11 ARG 45 7.866 -10.830 10.608 327 HH12 ARG 45 HH12 ARG 45 6.521 -10.526 11.644 328 HH21 ARG 45 HH21 ARG 45 4.967 -13.507 10.965 329 HH22 ARG 45 HH22 ARG 45 4.898 -12.021 11.839 330 H VAL 46 H VAL 46 7.725 -11.833 5.935 331 HA VAL 46 HA VAL 46 9.249 -9.343 5.448 332 HB VAL 46 HB VAL 46 6.322 -9.958 4.813 333 HG11 VAL 46 HG11 VAL 46 8.051 -7.605 3.938 334 HG12 VAL 46 HG12 VAL 46 6.735 -7.539 5.111 335 HG13 VAL 46 HG13 VAL 46 6.388 -7.915 3.423 336 HG21 VAL 46 HG21 VAL 46 8.727 -9.940 2.947 337 HG22 VAL 46 HG22 VAL 46 7.045 -10.161 2.467 338 HG23 VAL 46 HG23 VAL 46 7.834 -11.370 3.475 339 H ASP 47 H ASP 47 9.304 -7.872 7.019 340 HA ASP 47 HA ASP 47 7.092 -7.652 8.983 341 HB2 ASP 47 HB2 ASP 47 10.075 -7.144 9.328 342 HB3 ASP 47 HB3 ASP 47 8.876 -6.534 10.470 343 H HIS 48 H HIS 48 6.381 -5.629 9.561 344 HA HIS 48 HA HIS 48 5.617 -3.519 9.255 345 HB2 HIS 48 HB2 HIS 48 8.550 -3.029 8.585 346 HB3 HIS 48 HB3 HIS 48 7.378 -1.733 8.799 347 HD1 HIS 48 HD1 HIS 48 8.303 -0.724 10.925 348 HD2 HIS 48 HD2 HIS 48 7.588 -4.789 11.270 349 HE1 HIS 48 HE1 HIS 48 8.641 -1.254 13.350 350 HE2 HIS 48 HE2 HIS 48 7.990 -3.668 13.556 351 H HIS 49 H HIS 49 5.104 -5.197 7.081 352 HA HIS 49 HA HIS 49 5.597 -3.986 4.549 353 HB2 HIS 49 HB2 HIS 49 4.985 -6.404 4.867 354 HB3 HIS 49 HB3 HIS 49 3.353 -5.912 5.299 355 HD2 HIS 49 HD2 HIS 49 1.698 -5.235 3.148 356 HE1 HIS 49 HE1 HIS 49 4.587 -6.023 0.160 357 HE2 HIS 49 HE2 HIS 49 2.205 -5.319 0.607 358 H LYS 50 H LYS 50 4.402 -2.572 3.343 359 HA LYS 50 HA LYS 50 1.779 -1.605 4.147 360 HB2 LYS 50 HB2 LYS 50 2.590 0.784 4.297 361 HB3 LYS 50 HB3 LYS 50 3.177 -0.251 5.593 362 HG2 LYS 50 HG2 LYS 50 5.369 -0.441 4.467 363 HG3 LYS 50 HG3 LYS 50 4.785 0.573 3.145 364 HD2 LYS 50 HD2 LYS 50 6.170 1.883 4.717 365 HD3 LYS 50 HD3 LYS 50 4.509 2.475 4.697 366 HE2 LYS 50 HE2 LYS 50 5.359 2.402 6.993 367 HE3 LYS 50 HE3 LYS 50 4.052 1.236 6.799 368 HZ1 LYS 50 HZ1 LYS 50 5.898 0.314 8.039 369 HZ2 LYS 50 HZ2 LYS 50 6.949 0.603 6.752 370 HZ3 LYS 50 HZ3 LYS 50 5.698 -0.518 6.581 371 H TRP 51 H TRP 51 1.414 -0.291 0.787 372 HA TRP 51 HA TRP 51 0.551 -0.157 3.612 373 HB2 TRP 51 HB2 TRP 51 -0.464 1.415 1.204 374 HB3 TRP 51 HB3 TRP 51 -1.048 1.587 2.860 375 HD1 TRP 51 HD1 TRP 51 1.812 2.634 0.581 376 HE1 TRP 51 HE1 TRP 51 3.323 4.293 1.824 377 HE3 TRP 51 HE3 TRP 51 -0.174 2.207 5.285 378 HZ2 TRP 51 HZ2 TRP 51 3.644 5.308 4.428 379 HZ3 TRP 51 HZ3 TRP 51 0.793 3.563 7.100 380 HH2 TRP 51 HH2 TRP 51 2.665 5.084 6.679 381 H VAL 52 H VAL 52 -1.016 -1.386 4.305 382 HA VAL 52 HA VAL 52 -3.041 -2.548 2.464 383 HB VAL 52 HB VAL 52 -3.343 -4.422 4.046 384 HG11 VAL 52 HG11 VAL 52 -1.238 -5.653 3.653 385 HG12 VAL 52 HG12 VAL 52 -0.416 -4.145 3.249 386 HG13 VAL 52 HG13 VAL 52 -1.718 -4.741 2.219 387 HG21 VAL 52 HG21 VAL 52 -1.804 -4.818 5.955 388 HG22 VAL 52 HG22 VAL 52 -2.730 -3.333 6.170 389 HG23 VAL 52 HG23 VAL 52 -1.043 -3.248 5.668 390 H ILE 53 H ILE 53 -5.250 -2.321 3.161 391 HA ILE 53 HA ILE 53 -5.664 -0.461 5.458 392 HB ILE 53 HB ILE 53 -7.429 0.736 4.186 393 HG12 ILE 53 HG12 ILE 53 -6.479 -0.883 1.767 394 HG13 ILE 53 HG13 ILE 53 -8.042 -1.052 2.563 395 HG21 ILE 53 HG21 ILE 53 -4.720 0.800 2.798 396 HG22 ILE 53 HG22 ILE 53 -5.156 1.677 4.265 397 HG23 ILE 53 HG23 ILE 53 -5.945 2.071 2.739 398 HD11 ILE 53 HD11 ILE 53 -8.606 1.252 1.892 399 HD12 ILE 53 HD12 ILE 53 -8.260 0.202 0.518 400 HD13 ILE 53 HD13 ILE 53 -7.054 1.369 1.056 401 H GLN 54 H GLN 54 -8.138 -0.256 5.933 402 HA GLN 54 HA GLN 54 -9.046 -2.513 7.159 403 HB2 GLN 54 HB2 GLN 54 -9.884 -0.260 7.642 404 HB3 GLN 54 HB3 GLN 54 -10.732 -0.218 6.104 405 HG2 GLN 54 HG2 GLN 54 -12.368 -0.626 7.795 406 HG3 GLN 54 HG3 GLN 54 -12.162 -2.136 6.916 407 HE21 GLN 54 HE21 GLN 54 -13.245 -1.722 9.578 408 HE22 GLN 54 HE22 GLN 54 -12.266 -2.647 10.655 409 H GLU 55 H GLU 55 -10.197 -1.492 3.850 410 HA GLU 55 HA GLU 55 -12.071 -3.683 3.679 411 HB2 GLU 55 HB2 GLU 55 -12.522 -2.835 1.373 412 HB3 GLU 55 HB3 GLU 55 -12.674 -1.607 2.615 413 HG2 GLU 55 HG2 GLU 55 -11.608 -0.454 0.907 414 HG3 GLU 55 HG3 GLU 55 -10.270 -0.900 1.955 415 H GLU 56 H GLU 56 -8.767 -3.595 3.282 416 HA GLU 56 HA GLU 56 -8.422 -5.482 1.112 417 HB2 GLU 56 HB2 GLU 56 -6.748 -3.720 1.709 418 HB3 GLU 56 HB3 GLU 56 -6.493 -4.479 3.268 419 HG2 GLU 56 HG2 GLU 56 -5.894 -5.894 0.662 420 HG3 GLU 56 HG3 GLU 56 -4.727 -4.826 1.424 421 H ILE 57 H ILE 57 -8.925 -5.585 4.544 422 HA ILE 57 HA ILE 57 -7.798 -8.298 4.860 423 HB ILE 57 HB ILE 57 -8.662 -6.231 6.939 424 HG12 ILE 57 HG12 ILE 57 -5.853 -7.107 6.069 425 HG13 ILE 57 HG13 ILE 57 -6.618 -5.585 5.632 426 HG21 ILE 57 HG21 ILE 57 -8.933 -8.496 7.844 427 HG22 ILE 57 HG22 ILE 57 -7.565 -7.697 8.615 428 HG23 ILE 57 HG23 ILE 57 -7.285 -8.914 7.367 429 HD11 ILE 57 HD11 ILE 57 -5.827 -6.435 8.420 430 HD12 ILE 57 HD12 ILE 57 -6.576 -4.896 7.980 431 HD13 ILE 57 HD13 ILE 57 -4.966 -5.299 7.381 432 H LYS 58 H LYS 58 -9.069 -10.033 5.108 433 HA LYS 58 HA LYS 58 -11.889 -10.086 4.898 434 HB2 LYS 58 HB2 LYS 58 -10.495 -12.003 4.275 435 HB3 LYS 58 HB3 LYS 58 -9.900 -12.157 5.925 436 HG2 LYS 58 HG2 LYS 58 -12.181 -12.790 6.671 437 HG3 LYS 58 HG3 LYS 58 -12.752 -12.665 5.005 438 HD2 LYS 58 HD2 LYS 58 -12.312 -15.019 5.616 439 HD3 LYS 58 HD3 LYS 58 -11.230 -14.488 4.326 440 HE2 LYS 58 HE2 LYS 58 -10.035 -15.839 5.995 441 HE3 LYS 58 HE3 LYS 58 -9.411 -14.191 5.960 442 HZ1 LYS 58 HZ1 LYS 58 -11.382 -15.183 7.948 443 HZ2 LYS 58 HZ2 LYS 58 -10.598 -13.683 7.953 444 HZ3 LYS 58 HZ3 LYS 58 -9.715 -15.100 8.212 445 H ASP 59 H ASP 59 -9.739 -10.468 7.666 446 HA ASP 59 HA ASP 59 -11.735 -10.973 9.635 447 HB2 ASP 59 HB2 ASP 59 -8.789 -10.263 9.916 448 HB3 ASP 59 HB3 ASP 59 -9.816 -10.888 11.212 449 H ALA 60 H ALA 60 -10.932 -8.055 8.175 450 HA ALA 60 HA ALA 60 -10.837 -6.013 9.907 451 HB1 ALA 60 HB1 ALA 60 -12.747 -6.167 7.558 452 HB2 ALA 60 HB2 ALA 60 -11.034 -5.757 7.475 453 HB3 ALA 60 HB3 ALA 60 -12.157 -4.684 8.312 454 H GLY 61 H GLY 61 -14.071 -7.359 8.958 455 HA2 GLY 61 HA2 GLY 61 -16.016 -7.621 10.105 456 HA3 GLY 61 HA3 GLY 61 -15.051 -7.597 11.564 457 H ASP 62 H ASP 62 -15.005 -4.737 9.582 458 HA ASP 62 HA ASP 62 -15.587 -2.592 9.919 459 HB2 ASP 62 HB2 ASP 62 -18.059 -3.904 11.098 460 HB3 ASP 62 HB3 ASP 62 -17.901 -2.148 11.023 461 H LYS 63 H LYS 63 -14.238 -4.237 12.240 462 HA LYS 63 HA LYS 63 -14.475 -2.170 14.362 463 HB2 LYS 63 HB2 LYS 63 -13.462 -3.796 15.891 464 HB3 LYS 63 HB3 LYS 63 -14.853 -4.525 15.096 465 HG2 LYS 63 HG2 LYS 63 -13.339 -5.714 13.547 466 HG3 LYS 63 HG3 LYS 63 -11.945 -4.999 14.362 467 HD2 LYS 63 HD2 LYS 63 -12.527 -6.185 16.437 468 HD3 LYS 63 HD3 LYS 63 -13.980 -6.846 15.676 469 HE2 LYS 63 HE2 LYS 63 -11.106 -7.424 14.864 470 HE3 LYS 63 HE3 LYS 63 -12.197 -8.525 15.708 471 HZ1 LYS 63 HZ1 LYS 63 -13.660 -8.453 13.748 472 HZ2 LYS 63 HZ2 LYS 63 -12.130 -9.079 13.392 473 HZ3 LYS 63 HZ3 LYS 63 -12.520 -7.499 12.936 474 H THR 64 H THR 64 -12.489 -1.373 15.339 475 HA THR 64 HA THR 64 -10.379 -0.790 13.453 476 HB THR 64 HB THR 64 -10.610 -0.079 16.415 477 HG1 THR 64 HG1 THR 64 -10.935 2.079 15.129 478 HG21 THR 64 HG21 THR 64 -8.699 1.020 14.305 479 HG22 THR 64 HG22 THR 64 -8.245 0.027 15.692 480 HG23 THR 64 HG23 THR 64 -8.882 1.653 15.940 481 H LEU 65 H LEU 65 -8.877 -2.298 12.992 482 HA LEU 65 HA LEU 65 -8.098 -4.418 14.783 483 HB2 LEU 65 HB2 LEU 65 -6.956 -3.547 12.103 484 HB3 LEU 65 HB3 LEU 65 -6.496 -5.013 12.949 485 HG LEU 65 HG LEU 65 -9.296 -4.413 11.892 486 HD11 LEU 65 HD11 LEU 65 -8.840 -6.130 10.189 487 HD12 LEU 65 HD12 LEU 65 -7.187 -6.294 10.786 488 HD13 LEU 65 HD13 LEU 65 -7.717 -4.777 10.056 489 HD21 LEU 65 HD21 LEU 65 -9.797 -6.781 12.411 490 HD22 LEU 65 HD22 LEU 65 -9.399 -5.868 13.864 491 HD23 LEU 65 HD23 LEU 65 -8.205 -6.958 13.155 492 H GLN 66 H GLN 66 -6.457 -4.450 16.176 493 HA GLN 66 HA GLN 66 -4.646 -2.105 16.418 494 HB2 GLN 66 HB2 GLN 66 -6.085 -3.648 18.639 495 HB3 GLN 66 HB3 GLN 66 -4.936 -2.336 18.902 496 HG2 GLN 66 HG2 GLN 66 -6.436 -0.738 17.836 497 HG3 GLN 66 HG3 GLN 66 -7.548 -2.031 17.385 498 HE21 GLN 66 HE21 GLN 66 -9.275 -1.099 18.469 499 HE22 GLN 66 HE22 GLN 66 -9.389 -1.057 20.189 500 HA PRO 67 HA PRO 67 -0.973 -4.787 16.878 501 HB2 PRO 67 HB2 PRO 67 -0.838 -3.417 19.578 502 HB3 PRO 67 HB3 PRO 67 0.488 -3.832 18.475 503 HG2 PRO 67 HG2 PRO 67 -0.456 -1.350 18.497 504 HG3 PRO 67 HG3 PRO 67 -0.096 -2.132 16.940 505 HD2 PRO 67 HD2 PRO 67 -2.758 -1.576 18.213 506 HD3 PRO 67 HD3 PRO 67 -2.323 -1.639 16.493 507 H GLY 68 H GLY 68 -1.245 -6.858 17.174 508 HA2 GLY 68 HA2 GLY 68 -1.205 -8.784 18.731 509 HA3 GLY 68 HA3 GLY 68 -2.481 -7.997 19.648 510 H ASP 69 H ASP 69 -3.491 -7.307 16.676 511 HA ASP 69 HA ASP 69 -5.250 -9.620 16.450 512 HB2 ASP 69 HB2 ASP 69 -5.120 -6.956 15.010 513 HB3 ASP 69 HB3 ASP 69 -6.142 -8.248 14.391 514 H GLN 70 H GLN 70 -4.042 -11.390 15.741 515 HA GLN 70 HA GLN 70 -2.722 -11.508 13.211 516 HB2 GLN 70 HB2 GLN 70 -4.122 -13.704 14.796 517 HB3 GLN 70 HB3 GLN 70 -3.323 -14.015 13.267 518 HG2 GLN 70 HG2 GLN 70 -1.689 -14.662 14.743 519 HG3 GLN 70 HG3 GLN 70 -1.215 -12.994 14.452 520 HE21 GLN 70 HE21 GLN 70 -0.605 -14.734 16.719 521 HE22 GLN 70 HE22 GLN 70 -1.170 -13.911 18.126 522 H VAL 71 H VAL 71 -3.576 -11.257 11.222 523 HA VAL 71 HA VAL 71 -6.413 -11.856 10.644 524 HB VAL 71 HB VAL 71 -6.518 -9.798 9.233 525 HG11 VAL 71 HG11 VAL 71 -7.369 -9.646 11.541 526 HG12 VAL 71 HG12 VAL 71 -6.656 -8.110 11.048 527 HG13 VAL 71 HG13 VAL 71 -5.764 -9.189 12.123 528 HG21 VAL 71 HG21 VAL 71 -3.765 -9.129 10.374 529 HG22 VAL 71 HG22 VAL 71 -4.752 -8.039 9.398 530 HG23 VAL 71 HG23 VAL 71 -4.121 -9.527 8.692 531 H ILE 72 H ILE 72 -6.820 -12.316 8.331 532 HA ILE 72 HA ILE 72 -4.439 -13.333 6.873 533 HB ILE 72 HB ILE 72 -7.367 -14.075 6.408 534 HG12 ILE 72 HG12 ILE 72 -6.621 -14.873 8.639 535 HG13 ILE 72 HG13 ILE 72 -6.886 -16.222 7.544 536 HG21 ILE 72 HG21 ILE 72 -4.829 -15.348 5.298 537 HG22 ILE 72 HG22 ILE 72 -5.997 -14.389 4.390 538 HG23 ILE 72 HG23 ILE 72 -6.472 -15.952 5.053 539 HD11 ILE 72 HD11 ILE 72 -4.457 -16.434 7.225 540 HD12 ILE 72 HD12 ILE 72 -4.918 -16.566 8.921 541 HD13 ILE 72 HD13 ILE 72 -4.198 -15.074 8.324 542 H LEU 73 H LEU 73 -3.974 -12.638 4.817 543 HA LEU 73 HA LEU 73 -5.141 -10.092 3.979 544 HB2 LEU 73 HB2 LEU 73 -2.757 -11.620 2.863 545 HB3 LEU 73 HB3 LEU 73 -3.199 -9.964 2.464 546 HG LEU 73 HG LEU 73 -2.241 -10.953 5.187 547 HD11 LEU 73 HD11 LEU 73 -0.856 -9.170 3.159 548 HD12 LEU 73 HD12 LEU 73 -0.438 -10.844 3.532 549 HD13 LEU 73 HD13 LEU 73 -0.240 -9.597 4.760 550 HD21 LEU 73 HD21 LEU 73 -2.251 -8.583 5.884 551 HD22 LEU 73 HD22 LEU 73 -3.873 -9.139 5.487 552 HD23 LEU 73 HD23 LEU 73 -2.988 -8.124 4.346 553 H GLU 74 H GLU 74 -6.525 -9.827 2.343 554 HA GLU 74 HA GLU 74 -7.249 -12.055 0.546 555 HB2 GLU 74 HB2 GLU 74 -8.554 -9.341 1.009 556 HB3 GLU 74 HB3 GLU 74 -9.170 -10.552 -0.109 557 HG2 GLU 74 HG2 GLU 74 -8.837 -11.074 2.863 558 HG3 GLU 74 HG3 GLU 74 -10.309 -10.405 2.159 559 H ALA 75 H ALA 75 -5.844 -8.814 0.373 560 HA ALA 75 HA ALA 75 -5.311 -9.110 -2.517 561 HB1 ALA 75 HB1 ALA 75 -4.640 -6.828 -0.618 562 HB2 ALA 75 HB2 ALA 75 -5.995 -6.879 -1.748 563 HB3 ALA 75 HB3 ALA 75 -4.339 -6.836 -2.359 564 H SER 76 H SER 76 -3.107 -8.842 -3.289 565 HA SER 76 HA SER 76 -0.905 -9.399 -1.438 566 HB2 SER 76 HB2 SER 76 -0.105 -11.334 -2.739 567 HB3 SER 76 HB3 SER 76 -1.730 -11.637 -2.140 568 HG SER 76 HG SER 76 -2.529 -11.127 -4.210 569 H HIS 77 H HIS 77 0.749 -8.099 -1.947 570 HA HIS 77 HA HIS 77 1.066 -6.878 -4.569 571 HB2 HIS 77 HB2 HIS 77 2.780 -6.643 -2.053 572 HB3 HIS 77 HB3 HIS 77 2.875 -5.599 -3.467 573 HD2 HIS 77 HD2 HIS 77 -0.726 -5.524 -3.251 574 HE1 HIS 77 HE1 HIS 77 0.451 -3.003 -0.060 575 HE2 HIS 77 HE2 HIS 77 -1.482 -3.781 -1.486 576 H MET 78 H MET 78 1.698 -9.858 -3.577 577 HA MET 78 HA MET 78 3.563 -10.586 -5.573 578 HB2 MET 78 HB2 MET 78 5.403 -11.437 -4.075 579 HB3 MET 78 HB3 MET 78 5.274 -9.683 -4.073 580 HG2 MET 78 HG2 MET 78 4.060 -9.768 -1.930 581 HG3 MET 78 HG3 MET 78 4.205 -11.530 -1.927 582 HE1 MET 78 HE1 MET 78 6.644 -10.126 0.866 583 HE2 MET 78 HE2 MET 78 5.224 -11.130 0.577 584 HE3 MET 78 HE3 MET 78 5.139 -9.384 0.326 585 H LYS 79 H LYS 79 3.915 -12.988 -5.591 586 HA LYS 79 HA LYS 79 1.548 -14.379 -4.698 587 HB2 LYS 79 HB2 LYS 79 2.666 -14.800 -6.910 588 HB3 LYS 79 HB3 LYS 79 4.012 -15.551 -6.057 589 HG2 LYS 79 HG2 LYS 79 2.553 -17.328 -5.224 590 HG3 LYS 79 HG3 LYS 79 1.137 -16.531 -5.919 591 HD2 LYS 79 HD2 LYS 79 2.120 -16.855 -8.201 592 HD3 LYS 79 HD3 LYS 79 3.470 -17.729 -7.470 593 HE2 LYS 79 HE2 LYS 79 1.920 -19.452 -6.642 594 HE3 LYS 79 HE3 LYS 79 0.550 -18.564 -7.311 595 HZ1 LYS 79 HZ1 LYS 79 2.767 -19.806 -8.845 596 HZ2 LYS 79 HZ2 LYS 79 1.535 -18.869 -9.528 597 HZ3 LYS 79 HZ3 LYS 79 1.162 -20.337 -8.775 598 H GLY 80 H GLY 80 1.316 -15.853 -3.033 599 HA2 GLY 80 HA2 GLY 80 2.089 -17.263 -1.248 600 HA3 GLY 80 HA3 GLY 80 3.613 -16.389 -1.218 601 H MET 81 H MET 81 2.244 -13.765 -1.366 602 HA MET 81 HA MET 81 1.748 -13.186 1.384 603 HB2 MET 81 HB2 MET 81 2.678 -11.490 -0.090 604 HB3 MET 81 HB3 MET 81 1.294 -11.585 -1.165 605 HG2 MET 81 HG2 MET 81 -0.134 -10.591 0.568 606 HG3 MET 81 HG3 MET 81 1.243 -10.525 1.671 607 HE1 MET 81 HE1 MET 81 -0.706 -8.006 0.649 608 HE2 MET 81 HE2 MET 81 0.535 -6.755 0.576 609 HE3 MET 81 HE3 MET 81 0.512 -7.883 1.926 610 H LYS 82 H LYS 82 -0.417 -13.664 -1.414 611 HA LYS 82 HA LYS 82 -2.895 -13.285 -0.090 612 HB2 LYS 82 HB2 LYS 82 -2.771 -13.314 -2.523 613 HB3 LYS 82 HB3 LYS 82 -2.131 -14.949 -2.529 614 HG2 LYS 82 HG2 LYS 82 -4.473 -14.914 -3.240 615 HG3 LYS 82 HG3 LYS 82 -4.279 -15.831 -1.747 616 HD2 LYS 82 HD2 LYS 82 -5.115 -13.870 -0.462 617 HD3 LYS 82 HD3 LYS 82 -5.337 -12.992 -1.981 618 HE2 LYS 82 HE2 LYS 82 -6.981 -14.680 -2.724 619 HE3 LYS 82 HE3 LYS 82 -6.743 -15.588 -1.230 620 HZ1 LYS 82 HZ1 LYS 82 -8.739 -14.211 -1.186 621 HZ2 LYS 82 HZ2 LYS 82 -7.800 -12.821 -1.395 622 HZ3 LYS 82 HZ3 LYS 82 -7.639 -13.745 0.011 623 H GLY 83 H GLY 83 -3.691 -14.462 1.583 624 HA2 GLY 83 HA2 GLY 83 -4.501 -16.390 2.634 625 HA3 GLY 83 HA3 GLY 83 -3.463 -17.390 1.631 626 H ALA 84 H ALA 84 -1.616 -14.847 2.815 627 HA ALA 84 HA ALA 84 -0.237 -16.545 4.722 628 HB1 ALA 84 HB1 ALA 84 0.350 -13.675 3.916 629 HB2 ALA 84 HB2 ALA 84 1.055 -15.120 3.190 630 HB3 ALA 84 HB3 ALA 84 1.407 -14.722 4.871 631 H THR 85 H THR 85 -0.037 -16.233 6.909 632 HA THR 85 HA THR 85 -2.155 -14.803 8.298 633 HB THR 85 HB THR 85 0.175 -16.392 9.493 634 HG1 THR 85 HG1 THR 85 -2.274 -17.541 9.728 635 HG21 THR 85 HG21 THR 85 -0.812 -14.800 11.121 636 HG22 THR 85 HG22 THR 85 -1.218 -16.462 11.548 637 HG23 THR 85 HG23 THR 85 -2.426 -15.434 10.775 638 H ALA 86 H ALA 86 -1.924 -12.710 8.654 639 HA ALA 86 HA ALA 86 0.701 -11.413 8.975 640 HB1 ALA 86 HB1 ALA 86 -1.996 -10.208 8.220 641 HB2 ALA 86 HB2 ALA 86 -0.653 -10.519 7.118 642 HB3 ALA 86 HB3 ALA 86 -0.481 -9.312 8.391 643 H GLU 87 H GLU 87 0.847 -9.810 10.690 644 HA GLU 87 HA GLU 87 -1.262 -9.847 12.761 645 HB2 GLU 87 HB2 GLU 87 0.809 -11.414 13.198 646 HB3 GLU 87 HB3 GLU 87 1.704 -9.930 13.485 647 HG2 GLU 87 HG2 GLU 87 -0.815 -10.635 15.029 648 HG3 GLU 87 HG3 GLU 87 0.775 -11.216 15.517 649 H ILE 88 H ILE 88 -1.764 -7.829 13.457 650 HA ILE 88 HA ILE 88 -0.883 -5.551 12.020 651 HB ILE 88 HB ILE 88 -2.487 -5.608 14.620 652 HG12 ILE 88 HG12 ILE 88 -3.587 -6.945 12.828 653 HG13 ILE 88 HG13 ILE 88 -4.522 -5.512 13.231 654 HG21 ILE 88 HG21 ILE 88 -2.235 -3.383 12.555 655 HG22 ILE 88 HG22 ILE 88 -1.596 -3.365 14.200 656 HG23 ILE 88 HG23 ILE 88 -3.339 -3.374 13.935 657 HD11 ILE 88 HD11 ILE 88 -3.692 -4.411 11.192 658 HD12 ILE 88 HD12 ILE 88 -4.523 -5.926 10.841 659 HD13 ILE 88 HD13 ILE 88 -2.762 -5.860 10.797 660 H ASP 89 H ASP 89 1.203 -4.985 12.233 661 HA ASP 89 HA ASP 89 2.755 -5.025 14.642 662 HB2 ASP 89 HB2 ASP 89 3.875 -5.357 12.529 663 HB3 ASP 89 HB3 ASP 89 3.174 -3.894 11.846 664 H SER 90 H SER 90 1.004 -2.584 12.814 665 HA SER 90 HA SER 90 0.916 -0.710 15.031 666 HB2 SER 90 HB2 SER 90 2.284 0.113 12.416 667 HB3 SER 90 HB3 SER 90 1.823 1.224 13.705 668 HG SER 90 HG SER 90 3.335 -0.793 14.693 669 H ALA 91 H ALA 91 -0.751 0.856 14.773 670 HA ALA 91 HA ALA 91 -2.503 0.567 12.383 671 HB1 ALA 91 HB1 ALA 91 -4.386 1.240 13.831 672 HB2 ALA 91 HB2 ALA 91 -3.298 1.349 15.219 673 HB3 ALA 91 HB3 ALA 91 -3.599 -0.212 14.452 674 H GLU 92 H GLU 92 -2.750 2.345 11.160 675 HA GLU 92 HA GLU 92 -2.320 5.059 12.237 676 HB2 GLU 92 HB2 GLU 92 -0.163 4.314 11.193 677 HB3 GLU 92 HB3 GLU 92 -1.004 3.991 9.687 678 HG2 GLU 92 HG2 GLU 92 0.235 6.091 9.566 679 HG3 GLU 92 HG3 GLU 92 -1.496 6.374 9.415 680 H LYS 93 H LYS 93 -3.438 6.694 11.029 681 HA LYS 93 HA LYS 93 -5.337 5.746 8.969 682 HB2 LYS 93 HB2 LYS 93 -7.055 7.300 9.855 683 HB3 LYS 93 HB3 LYS 93 -6.652 6.027 10.988 684 HG2 LYS 93 HG2 LYS 93 -5.635 8.884 11.187 685 HG3 LYS 93 HG3 LYS 93 -7.061 8.282 12.024 686 HD2 LYS 93 HD2 LYS 93 -4.186 7.354 12.453 687 HD3 LYS 93 HD3 LYS 93 -5.124 8.379 13.543 688 HE2 LYS 93 HE2 LYS 93 -5.696 5.471 12.861 689 HE3 LYS 93 HE3 LYS 93 -5.049 6.082 14.384 690 HZ1 LYS 93 HZ1 LYS 93 -7.758 6.587 13.277 691 HZ2 LYS 93 HZ2 LYS 93 -7.148 7.325 14.669 692 HZ3 LYS 93 HZ3 LYS 93 -7.374 5.655 14.632 693 H THR 94 H THR 94 -4.300 6.453 7.229 694 HA THR 94 HA THR 94 -3.689 9.331 6.916 695 HB THR 94 HB THR 94 -1.529 8.378 7.444 696 HG1 THR 94 HG1 THR 94 -0.456 9.131 5.699 697 HG21 THR 94 HG21 THR 94 -2.012 6.312 5.261 698 HG22 THR 94 HG22 THR 94 -1.944 5.995 6.997 699 HG23 THR 94 HG23 THR 94 -0.500 6.535 6.142 700 H THR 95 H THR 95 -3.615 10.044 4.641 701 HA THR 95 HA THR 95 -5.792 8.794 3.185 702 HB THR 95 HB THR 95 -4.161 11.262 2.403 703 HG1 THR 95 HG1 THR 95 -5.676 12.433 3.544 704 HG21 THR 95 HG21 THR 95 -6.969 10.388 1.589 705 HG22 THR 95 HG22 THR 95 -5.543 10.345 0.549 706 HG23 THR 95 HG23 THR 95 -6.175 11.892 1.112 707 H VAL 96 H VAL 96 -5.571 7.466 1.443 708 HA VAL 96 HA VAL 96 -2.896 6.980 0.283 709 HB VAL 96 HB VAL 96 -3.590 4.549 0.027 710 HG11 VAL 96 HG11 VAL 96 -3.061 3.902 2.359 711 HG12 VAL 96 HG12 VAL 96 -3.356 5.559 2.890 712 HG13 VAL 96 HG13 VAL 96 -2.019 5.210 1.792 713 HG21 VAL 96 HG21 VAL 96 -6.037 4.797 0.282 714 HG22 VAL 96 HG22 VAL 96 -5.829 5.295 1.962 715 HG23 VAL 96 HG23 VAL 96 -5.404 3.654 1.470 716 H TYR 97 H TYR 97 -2.836 6.622 -1.921 717 HA TYR 97 HA TYR 97 -5.283 7.255 -3.467 718 HB2 TYR 97 HB2 TYR 97 -2.434 8.181 -4.076 719 HB3 TYR 97 HB3 TYR 97 -3.884 8.598 -4.988 720 HD1 TYR 97 HD2 TYR 97 -5.617 10.126 -3.935 721 HD2 TYR 97 HD1 TYR 97 -1.836 9.395 -2.076 722 HE1 TYR 97 HE2 TYR 97 -5.930 12.108 -2.517 723 HE2 TYR 97 HE1 TYR 97 -2.165 11.371 -0.659 724 HH TYR 97 HH TYR 97 -3.396 13.462 -0.653 725 H MET 98 H MET 98 -5.636 6.133 -5.324 726 HA MET 98 HA MET 98 -3.716 4.155 -6.308 727 HB2 MET 98 HB2 MET 98 -6.111 3.552 -6.335 728 HB3 MET 98 HB3 MET 98 -6.483 4.976 -7.299 729 HG2 MET 98 HG2 MET 98 -5.198 4.070 -9.175 730 HG3 MET 98 HG3 MET 98 -4.754 2.660 -8.214 731 HE1 MET 98 HE1 MET 98 -9.119 3.524 -9.530 732 HE2 MET 98 HE2 MET 98 -7.784 4.635 -9.835 733 HE3 MET 98 HE3 MET 98 -8.360 4.378 -8.188 734 H VAL 99 H VAL 99 -2.186 4.754 -7.764 735 HA VAL 99 HA VAL 99 -2.599 7.209 -9.406 736 HB VAL 99 HB VAL 99 -0.124 7.629 -9.305 737 HG11 VAL 99 HG11 VAL 99 -1.514 7.632 -6.593 738 HG12 VAL 99 HG12 VAL 99 -1.633 8.890 -7.824 739 HG13 VAL 99 HG13 VAL 99 -0.093 8.590 -7.020 740 HG21 VAL 99 HG21 VAL 99 0.669 5.349 -8.752 741 HG22 VAL 99 HG22 VAL 99 -0.082 5.458 -7.158 742 HG23 VAL 99 HG23 VAL 99 1.263 6.522 -7.573 743 H ASP 100 H ASP 100 -1.675 7.307 -11.458 744 HA ASP 100 HA ASP 100 -0.761 4.786 -12.727 745 HB2 ASP 100 HB2 ASP 100 -3.006 5.654 -13.496 746 HB3 ASP 100 HB3 ASP 100 -2.247 7.170 -13.962 747 H TYR 101 H TYR 101 1.355 4.909 -13.405 748 HA TYR 101 HA TYR 101 2.613 7.463 -14.114 749 HB2 TYR 101 HB2 TYR 101 4.446 7.231 -12.476 750 HB3 TYR 101 HB3 TYR 101 2.898 7.365 -11.657 751 HD1 TYR 101 HD1 TYR 101 1.943 5.422 -10.439 752 HD2 TYR 101 HD2 TYR 101 5.762 5.139 -12.343 753 HE1 TYR 101 HE1 TYR 101 2.431 3.384 -9.174 754 HE2 TYR 101 HE2 TYR 101 6.238 3.096 -11.072 755 HH TYR 101 HH TYR 101 5.514 1.969 -9.002 756 H THR 102 H THR 102 5.058 7.031 -14.564 757 HA THR 102 HA THR 102 5.498 4.361 -15.794 758 HB THR 102 HB THR 102 6.460 7.046 -16.900 759 HG1 THR 102 HG1 THR 102 4.137 6.084 -17.201 760 HG21 THR 102 HG21 THR 102 6.862 4.232 -18.005 761 HG22 THR 102 HG22 THR 102 8.124 5.276 -17.342 762 HG23 THR 102 HG23 THR 102 7.294 5.725 -18.835 763 H SER 103 H SER 103 7.237 3.343 -14.989 764 HA SER 103 HA SER 103 9.026 4.346 -13.057 765 HB2 SER 103 HB2 SER 103 8.581 1.938 -13.290 766 HB3 SER 103 HB3 SER 103 9.287 1.930 -14.903 767 HG SER 103 HG SER 103 10.606 1.220 -12.983 768 H THR 104 H THR 104 10.672 5.740 -13.324 769 HA THR 104 HA THR 104 11.656 6.780 -15.736 770 HB THR 104 HB THR 104 13.493 7.792 -14.344 771 HG1 THR 104 HG1 THR 104 12.368 6.724 -11.998 772 HG21 THR 104 HG21 THR 104 12.046 9.120 -12.830 773 HG22 THR 104 HG22 THR 104 10.732 7.970 -13.071 774 HG23 THR 104 HG23 THR 104 11.308 8.942 -14.425 775 H THR 105 H THR 105 13.011 4.235 -13.653 776 HA THR 105 HA THR 105 15.406 3.811 -15.204 777 HB THR 105 HB THR 105 15.783 1.805 -13.796 778 HG1 THR 105 HG1 THR 105 13.948 0.848 -13.265 779 HG21 THR 105 HG21 THR 105 16.423 4.001 -12.861 780 HG22 THR 105 HG22 THR 105 15.876 2.915 -11.583 781 HG23 THR 105 HG23 THR 105 14.808 4.192 -12.171 782 H SER 106 H SER 106 12.459 1.780 -14.774 783 HA SER 106 HA SER 106 13.284 -0.225 -16.646 784 HB2 SER 106 HB2 SER 106 10.486 0.256 -15.517 785 HB3 SER 106 HB3 SER 106 11.064 -1.232 -16.270 786 HG SER 106 HG SER 106 11.177 -1.437 -14.036 787 H GLY 107 H GLY 107 11.152 2.596 -16.880 788 HA2 GLY 107 HA2 GLY 107 10.284 3.675 -18.761 789 HA3 GLY 107 HA3 GLY 107 10.854 2.364 -19.783 790 H GLU 108 H GLU 108 9.258 0.944 -17.236 791 HA GLU 108 HA GLU 108 7.013 0.110 -18.766 792 HB2 GLU 108 HB2 GLU 108 8.184 -1.363 -17.197 793 HB3 GLU 108 HB3 GLU 108 7.795 -0.304 -15.849 794 HG2 GLU 108 HG2 GLU 108 5.385 -0.841 -16.140 795 HG3 GLU 108 HG3 GLU 108 5.806 -1.923 -17.473 796 H LYS 109 H LYS 109 5.003 0.921 -18.845 797 HA LYS 109 HA LYS 109 4.111 3.140 -17.187 798 HB2 LYS 109 HB2 LYS 109 2.869 1.639 -19.525 799 HB3 LYS 109 HB3 LYS 109 1.939 2.800 -18.592 800 HG2 LYS 109 HG2 LYS 109 2.744 3.880 -20.594 801 HG3 LYS 109 HG3 LYS 109 3.556 4.585 -19.200 802 HD2 LYS 109 HD2 LYS 109 5.152 4.307 -21.016 803 HD3 LYS 109 HD3 LYS 109 5.575 3.214 -19.699 804 HE2 LYS 109 HE2 LYS 109 4.510 1.339 -20.924 805 HE3 LYS 109 HE3 LYS 109 4.118 2.434 -22.254 806 HZ1 LYS 109 HZ1 LYS 109 6.134 1.115 -22.639 807 HZ2 LYS 109 HZ2 LYS 109 6.871 1.839 -21.298 808 HZ3 LYS 109 HZ3 LYS 109 6.456 2.775 -22.644 809 H VAL 110 H VAL 110 3.693 2.511 -15.123 810 HA VAL 110 HA VAL 110 2.300 -0.005 -14.509 811 HB VAL 110 HB VAL 110 3.427 2.098 -12.599 812 HG11 VAL 110 HG11 VAL 110 1.640 0.790 -11.526 813 HG12 VAL 110 HG12 VAL 110 3.205 0.350 -10.848 814 HG13 VAL 110 HG13 VAL 110 2.417 -0.721 -12.010 815 HG21 VAL 110 HG21 VAL 110 4.637 -0.559 -13.483 816 HG22 VAL 110 HG22 VAL 110 5.306 0.515 -12.253 817 HG23 VAL 110 HG23 VAL 110 5.217 1.048 -13.930 818 H LYS 111 H LYS 111 0.152 -0.063 -14.351 819 HA LYS 111 HA LYS 111 -1.401 2.433 -13.971 820 HB2 LYS 111 HB2 LYS 111 -3.225 1.306 -15.195 821 HB3 LYS 111 HB3 LYS 111 -1.748 1.393 -16.146 822 HG2 LYS 111 HG2 LYS 111 -1.274 -0.999 -15.541 823 HG3 LYS 111 HG3 LYS 111 -2.844 -1.063 -14.734 824 HD2 LYS 111 HD2 LYS 111 -2.399 -0.479 -17.693 825 HD3 LYS 111 HD3 LYS 111 -2.916 -2.030 -17.026 826 HE2 LYS 111 HE2 LYS 111 -4.982 -0.937 -16.160 827 HE3 LYS 111 HE3 LYS 111 -4.467 0.586 -16.885 828 HZ1 LYS 111 HZ1 LYS 111 -4.546 -0.473 -19.056 829 HZ2 LYS 111 HZ2 LYS 111 -6.047 -0.550 -18.285 830 HZ3 LYS 111 HZ3 LYS 111 -5.068 -1.923 -18.356 831 H ASN 112 H ASN 112 -3.115 2.530 -12.581 832 HA ASN 112 HA ASN 112 -4.475 2.162 -10.797 833 HB2 ASN 112 HB2 ASN 112 -4.346 -0.755 -11.674 834 HB3 ASN 112 HB3 ASN 112 -5.566 -0.061 -10.613 835 HD21 ASN 112 HD21 ASN 112 -7.095 1.394 -11.504 836 HD22 ASN 112 HD22 ASN 112 -7.433 1.405 -13.195 837 H HIS 113 H HIS 113 -1.701 2.231 -10.157 838 HA HIS 113 HA HIS 113 -0.821 0.154 -8.439 839 HB2 HIS 113 HB2 HIS 113 0.766 1.676 -9.495 840 HB3 HIS 113 HB3 HIS 113 0.073 3.060 -8.660 841 HD2 HIS 113 HD2 HIS 113 1.067 3.533 -6.130 842 HE1 HIS 113 HE1 HIS 113 3.603 0.154 -5.999 843 HE2 HIS 113 HE2 HIS 113 2.774 2.180 -4.733 844 H LYS 114 H LYS 114 -1.345 -0.324 -6.394 845 HA LYS 114 HA LYS 114 -2.423 1.730 -4.543 846 HB2 LYS 114 HB2 LYS 114 -3.464 -1.117 -4.915 847 HB3 LYS 114 HB3 LYS 114 -3.969 -0.033 -3.623 848 HG2 LYS 114 HG2 LYS 114 -4.892 1.526 -5.347 849 HG3 LYS 114 HG3 LYS 114 -4.470 0.351 -6.598 850 HD2 LYS 114 HD2 LYS 114 -5.989 -1.305 -5.595 851 HD3 LYS 114 HD3 LYS 114 -6.352 -0.208 -4.263 852 HE2 LYS 114 HE2 LYS 114 -8.200 -0.103 -5.779 853 HE3 LYS 114 HE3 LYS 114 -7.301 1.399 -5.987 854 HZ1 LYS 114 HZ1 LYS 114 -6.261 0.437 -7.957 855 HZ2 LYS 114 HZ2 LYS 114 -7.946 0.468 -8.099 856 HZ3 LYS 114 HZ3 LYS 114 -7.156 -0.985 -7.748 857 H TRP 115 H TRP 115 -0.646 0.243 -1.802 858 HA TRP 115 HA TRP 115 -1.961 2.570 -3.102 859 HB2 TRP 115 HB2 TRP 115 -1.807 1.805 -0.150 860 HB3 TRP 115 HB3 TRP 115 -2.496 3.308 -0.750 861 HD1 TRP 115 HD1 TRP 115 -3.375 -0.324 -0.172 862 HE1 TRP 115 HE1 TRP 115 -5.830 -0.707 -0.814 863 HE3 TRP 115 HE3 TRP 115 -4.340 4.123 -2.507 864 HZ2 TRP 115 HZ2 TRP 115 -7.901 0.659 -2.128 865 HZ3 TRP 115 HZ3 TRP 115 -6.586 4.507 -3.436 866 HH2 TRP 115 HH2 TRP 115 -8.333 2.805 -3.248 867 H VAL 116 H VAL 116 -1.235 4.693 -2.498 868 HA VAL 116 HA VAL 116 1.429 4.968 -1.220 869 HB VAL 116 HB VAL 116 1.938 6.880 -2.873 870 HG11 VAL 116 HG11 VAL 116 2.846 5.395 -4.626 871 HG12 VAL 116 HG12 VAL 116 1.854 4.064 -4.023 872 HG13 VAL 116 HG13 VAL 116 3.134 4.739 -3.012 873 HG21 VAL 116 HG21 VAL 116 -0.342 7.166 -3.792 874 HG22 VAL 116 HG22 VAL 116 -0.264 5.557 -4.514 875 HG23 VAL 116 HG23 VAL 116 0.821 6.830 -5.077 876 H THR 117 H THR 117 1.638 6.742 0.127 877 HA THR 117 HA THR 117 -0.824 8.186 0.830 878 HB THR 117 HB THR 117 0.432 8.930 2.865 879 HG1 THR 117 HG1 THR 117 2.542 7.311 1.804 880 HG21 THR 117 HG21 THR 117 0.618 6.722 3.952 881 HG22 THR 117 HG22 THR 117 0.564 5.932 2.377 882 HG23 THR 117 HG23 THR 117 -0.843 6.821 2.967 883 H GLU 118 H GLU 118 -0.835 10.512 1.227 884 HA GLU 118 HA GLU 118 0.465 12.138 -0.711 885 HB2 GLU 118 HB2 GLU 118 -1.709 12.705 0.366 886 HB3 GLU 118 HB3 GLU 118 -0.883 12.972 1.895 887 HG2 GLU 118 HG2 GLU 118 0.249 14.917 1.032 888 HG3 GLU 118 HG3 GLU 118 -0.294 14.578 -0.612 889 H ASP 119 H ASP 119 1.361 11.147 2.506 890 HA ASP 119 HA ASP 119 3.403 12.994 3.124 891 HB2 ASP 119 HB2 ASP 119 3.202 10.066 3.961 892 HB3 ASP 119 HB3 ASP 119 4.158 11.308 4.765 893 H GLU 120 H GLU 120 3.407 10.043 1.161 894 HA GLU 120 HA GLU 120 6.318 10.180 0.748 895 HB2 GLU 120 HB2 GLU 120 6.202 7.977 -0.129 896 HB3 GLU 120 HB3 GLU 120 5.181 8.003 1.299 897 HG2 GLU 120 HG2 GLU 120 3.184 8.103 -0.112 898 HG3 GLU 120 HG3 GLU 120 4.187 8.146 -1.564 899 H LEU 121 H LEU 121 3.718 11.629 -0.711 900 HA LEU 121 HA LEU 121 4.935 11.618 -3.428 901 HB2 LEU 121 HB2 LEU 121 2.054 12.240 -2.632 902 HB3 LEU 121 HB3 LEU 121 2.700 12.345 -4.264 903 HG LEU 121 HG LEU 121 2.377 9.782 -2.642 904 HD11 LEU 121 HD11 LEU 121 0.227 10.670 -3.402 905 HD12 LEU 121 HD12 LEU 121 0.635 9.199 -4.280 906 HD13 LEU 121 HD13 LEU 121 0.830 10.770 -5.061 907 HD21 LEU 121 HD21 LEU 121 3.380 10.129 -5.492 908 HD22 LEU 121 HD22 LEU 121 3.036 8.589 -4.702 909 HD23 LEU 121 HD23 LEU 121 4.338 9.609 -4.102 910 H SER 122 H SER 122 4.613 13.768 -4.572 911 HA SER 122 HA SER 122 4.388 16.138 -2.838 912 HB2 SER 122 HB2 SER 122 6.769 15.594 -4.676 913 HB3 SER 122 HB3 SER 122 6.439 17.149 -3.911 914 HG SER 122 HG SER 122 6.500 14.981 -2.191 915 H ALA 123 H ALA 123 2.974 17.529 -3.790 916 HA ALA 123 HA ALA 123 1.902 17.190 -6.398 917 HB1 ALA 123 HB1 ALA 123 1.763 19.650 -4.612 918 HB2 ALA 123 HB2 ALA 123 0.657 18.277 -4.560 919 HB3 ALA 123 HB3 ALA 123 0.715 19.304 -5.991 920 H LYS 124 H LYS 124 2.206 18.376 -8.352 921 HA LYS 124 HA LYS 124 4.911 19.262 -8.815 922 HB2 LYS 124 HB2 LYS 124 3.596 17.900 -10.465 923 HB3 LYS 124 HB3 LYS 124 2.551 19.284 -10.746 924 HG2 LYS 124 HG2 LYS 124 4.217 19.034 -12.535 925 HG3 LYS 124 HG3 LYS 124 4.433 20.560 -11.672 926 HD2 LYS 124 HD2 LYS 124 6.323 19.621 -10.416 927 HD3 LYS 124 HD3 LYS 124 6.067 18.040 -11.162 928 HE2 LYS 124 HE2 LYS 124 6.817 20.564 -12.679 929 HE3 LYS 124 HE3 LYS 124 7.955 19.316 -12.175 930 HZ1 LYS 124 HZ1 LYS 124 6.676 17.718 -13.520 931 HZ2 LYS 124 HZ2 LYS 124 7.343 18.964 -14.445 932 HZ3 LYS 124 HZ3 LYS 124 5.697 18.981 -14.072 933 H LEU 125 H LEU 125 4.847 21.009 -7.296 934 HA LEU 125 HA LEU 125 3.893 23.610 -8.388 935 HB2 LEU 125 HB2 LEU 125 4.381 22.839 -5.474 936 HB3 LEU 125 HB3 LEU 125 3.856 24.419 -6.035 937 HG LEU 125 HG LEU 125 2.220 21.856 -6.274 938 HD11 LEU 125 HD11 LEU 125 2.461 22.539 -3.927 939 HD12 LEU 125 HD12 LEU 125 0.808 22.769 -4.487 940 HD13 LEU 125 HD13 LEU 125 1.882 24.161 -4.322 941 HD21 LEU 125 HD21 LEU 125 1.676 23.457 -8.060 942 HD22 LEU 125 HD22 LEU 125 1.423 24.732 -6.866 943 HD23 LEU 125 HD23 LEU 125 0.346 23.333 -6.908 944 H GLU 126 H GLU 126 6.417 21.821 -6.701 945 HA GLU 126 HA GLU 126 8.535 23.671 -7.612 946 HB2 GLU 126 HB2 GLU 126 7.890 24.229 -5.237 947 HB3 GLU 126 HB3 GLU 126 8.266 22.575 -4.768 948 HG2 GLU 126 HG2 GLU 126 10.643 23.129 -5.763 949 HG3 GLU 126 HG3 GLU 126 10.137 24.808 -5.556 950 H HIS 127 H HIS 127 10.653 22.620 -7.729 951 HA HIS 127 HA HIS 127 11.028 19.843 -7.016 952 HB2 HIS 127 HB2 HIS 127 9.827 19.724 -9.257 953 HB3 HIS 127 HB3 HIS 127 11.183 20.577 -9.982 954 HD1 HIS 127 HD1 HIS 127 10.204 17.260 -8.535 955 HD2 HIS 127 HD2 HIS 127 13.457 18.970 -10.478 956 HE1 HIS 127 HE1 HIS 127 11.686 15.346 -9.160 957 HE2 HIS 127 HE2 HIS 127 13.560 16.383 -10.471 958 H HIS 128 H HIS 128 12.796 20.567 -5.775 959 HA HIS 128 HA HIS 128 15.078 21.870 -7.083 960 HB2 HIS 128 HB2 HIS 128 14.561 21.016 -4.216 961 HB3 HIS 128 HB3 HIS 128 16.167 21.500 -4.742 962 HD1 HIS 128 HD1 HIS 128 13.148 22.864 -3.324 963 HD2 HIS 128 HD2 HIS 128 16.168 24.271 -5.810 964 HE1 HIS 128 HE1 HIS 128 13.053 25.364 -3.159 965 HE2 HIS 128 HE2 HIS 128 15.022 26.169 -4.485 966 H HIS 129 H HIS 129 16.846 20.841 -7.853 967 HA HIS 129 HA HIS 129 17.139 17.989 -7.836 968 HB2 HIS 129 HB2 HIS 129 18.019 19.500 -9.654 969 HB3 HIS 129 HB3 HIS 129 19.238 20.096 -8.528 970 HD1 HIS 129 HD1 HIS 129 18.146 16.552 -9.512 971 HD2 HIS 129 HD2 HIS 129 21.584 18.873 -9.205 972 HE1 HIS 129 HE1 HIS 129 20.040 15.030 -10.132 973 HE2 HIS 129 HE2 HIS 129 22.111 16.439 -9.892 974 H HIS 130 H HIS 130 18.485 20.615 -5.879 975 HA HIS 130 HA HIS 130 19.881 18.743 -4.087 976 HB2 HIS 130 HB2 HIS 130 19.722 21.789 -4.118 977 HB3 HIS 130 HB3 HIS 130 20.576 20.861 -2.887 978 HD1 HIS 130 HD1 HIS 130 20.715 21.624 -6.600 979 HD2 HIS 130 HD2 HIS 130 23.132 20.095 -3.584 980 HE1 HIS 130 HE1 HIS 130 22.985 21.353 -7.628 981 HE2 HIS 130 HE2 HIS 130 24.389 20.302 -5.830 982 H HIS 131 H HIS 131 18.493 17.689 -2.760 983 HA HIS 131 HA HIS 131 15.897 18.815 -2.038 984 HB2 HIS 131 HB2 HIS 131 17.106 16.079 -1.447 985 HB3 HIS 131 HB3 HIS 131 15.439 16.544 -1.119 986 HD1 HIS 131 HD1 HIS 131 13.794 16.199 -2.989 987 HD2 HIS 131 HD2 HIS 131 17.728 15.979 -4.302 988 HE1 HIS 131 HE1 HIS 131 13.664 15.415 -5.366 989 HE2 HIS 131 HE2 HIS 131 16.042 15.427 -6.175 990 H HIS 132 H HIS 132 15.061 18.923 0.123 991 HA HIS 132 HA HIS 132 16.766 19.935 2.157 992 HB2 HIS 132 HB2 HIS 132 13.863 19.040 2.195 993 HB3 HIS 132 HB3 HIS 132 14.661 19.671 3.630 994 HD1 HIS 132 HD1 HIS 132 12.635 21.436 3.377 995 HD2 HIS 132 HD2 HIS 132 15.709 21.733 0.594 996 HE1 HIS 132 HE1 HIS 132 12.459 23.747 2.436 997 HE2 HIS 132 HE2 HIS 132 14.301 23.897 0.727 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -4.042 15.622 -1.450 2 H2 MET 1 H2 MET 1 -5.359 14.613 -1.787 3 H3 MET 1 H3 MET 1 -5.563 16.292 -1.752 4 HA MET 1 HA MET 1 -4.155 16.573 -3.649 5 HB2 MET 1 HB2 MET 1 -4.001 13.523 -3.650 6 HB3 MET 1 HB3 MET 1 -3.378 14.567 -4.924 7 HG2 MET 1 HG2 MET 1 -2.388 14.486 -2.061 8 HG3 MET 1 HG3 MET 1 -1.585 13.780 -3.471 9 HE1 MET 1 HE1 MET 1 0.671 15.153 -2.808 10 HE2 MET 1 HE2 MET 1 -0.179 15.834 -1.420 11 HE3 MET 1 HE3 MET 1 0.682 16.895 -2.537 12 H LYS 2 H LYS 2 -5.434 17.135 -5.309 13 HA LYS 2 HA LYS 2 -8.175 16.279 -5.452 14 HB2 LYS 2 HB2 LYS 2 -7.408 18.637 -5.858 15 HB3 LYS 2 HB3 LYS 2 -6.593 18.108 -7.321 16 HG2 LYS 2 HG2 LYS 2 -8.670 19.162 -7.941 17 HG3 LYS 2 HG3 LYS 2 -8.807 17.430 -8.269 18 HD2 LYS 2 HD2 LYS 2 -10.075 17.146 -6.141 19 HD3 LYS 2 HD3 LYS 2 -9.954 18.883 -5.843 20 HE2 LYS 2 HE2 LYS 2 -11.257 19.313 -7.911 21 HE3 LYS 2 HE3 LYS 2 -11.379 17.573 -8.191 22 HZ1 LYS 2 HZ1 LYS 2 -12.455 18.997 -5.814 23 HZ2 LYS 2 HZ2 LYS 2 -12.646 17.354 -6.168 24 HZ3 LYS 2 HZ3 LYS 2 -13.365 18.522 -7.156 25 H VAL 3 H VAL 3 -9.123 14.840 -6.885 26 HA VAL 3 HA VAL 3 -7.592 13.134 -8.569 27 HB VAL 3 HB VAL 3 -10.613 13.591 -8.564 28 HG11 VAL 3 HG11 VAL 3 -9.924 12.540 -10.685 29 HG12 VAL 3 HG12 VAL 3 -10.784 11.373 -9.683 30 HG13 VAL 3 HG13 VAL 3 -9.025 11.302 -9.803 31 HG21 VAL 3 HG21 VAL 3 -9.772 12.803 -6.375 32 HG22 VAL 3 HG22 VAL 3 -8.957 11.448 -7.160 33 HG23 VAL 3 HG23 VAL 3 -10.720 11.540 -7.168 34 H GLY 4 H GLY 4 -6.991 13.328 -10.608 35 HA2 GLY 4 HA2 GLY 4 -7.067 14.117 -12.880 36 HA3 GLY 4 HA3 GLY 4 -7.881 15.572 -12.330 37 H SER 5 H SER 5 -5.738 15.455 -10.013 38 HA SER 5 HA SER 5 -3.822 17.255 -11.321 39 HB2 SER 5 HB2 SER 5 -4.815 17.897 -9.122 40 HB3 SER 5 HB3 SER 5 -4.085 16.483 -8.374 41 HG SER 5 HG SER 5 -2.853 18.414 -8.088 42 H GLN 6 H GLN 6 -1.447 16.969 -10.876 43 HA GLN 6 HA GLN 6 -0.652 14.117 -10.613 44 HB2 GLN 6 HB2 GLN 6 1.021 14.414 -12.368 45 HB3 GLN 6 HB3 GLN 6 -0.576 14.816 -12.981 46 HG2 GLN 6 HG2 GLN 6 -0.005 17.245 -12.657 47 HG3 GLN 6 HG3 GLN 6 1.633 16.748 -12.239 48 HE21 GLN 6 HE21 GLN 6 1.595 14.563 -14.288 49 HE22 GLN 6 HE22 GLN 6 1.771 15.365 -15.802 50 H VAL 7 H VAL 7 1.468 13.711 -9.789 51 HA VAL 7 HA VAL 7 2.663 15.808 -8.086 52 HB VAL 7 HB VAL 7 2.625 14.252 -6.096 53 HG11 VAL 7 HG11 VAL 7 0.257 14.603 -5.455 54 HG12 VAL 7 HG12 VAL 7 -0.143 14.981 -7.133 55 HG13 VAL 7 HG13 VAL 7 0.938 16.038 -6.225 56 HG21 VAL 7 HG21 VAL 7 1.069 12.316 -6.073 57 HG22 VAL 7 HG22 VAL 7 2.350 12.100 -7.268 58 HG23 VAL 7 HG23 VAL 7 0.730 12.570 -7.788 59 H ILE 8 H ILE 8 4.770 15.212 -7.204 60 HA ILE 8 HA ILE 8 6.218 12.978 -8.465 61 HB ILE 8 HB ILE 8 7.174 15.331 -6.768 62 HG12 ILE 8 HG12 ILE 8 6.658 15.845 -9.159 63 HG13 ILE 8 HG13 ILE 8 8.362 16.072 -8.785 64 HG21 ILE 8 HG21 ILE 8 8.901 13.046 -7.812 65 HG22 ILE 8 HG22 ILE 8 8.568 13.426 -6.121 66 HG23 ILE 8 HG23 ILE 8 9.517 14.543 -7.101 67 HD11 ILE 8 HD11 ILE 8 8.049 15.036 -10.960 68 HD12 ILE 8 HD12 ILE 8 7.179 13.693 -10.222 69 HD13 ILE 8 HD13 ILE 8 8.891 13.941 -9.864 70 H ILE 9 H ILE 9 6.724 11.139 -7.330 71 HA ILE 9 HA ILE 9 5.725 10.891 -4.569 72 HB ILE 9 HB ILE 9 6.769 8.662 -6.375 73 HG12 ILE 9 HG12 ILE 9 3.929 9.697 -5.946 74 HG13 ILE 9 HG13 ILE 9 4.819 9.640 -7.460 75 HG21 ILE 9 HG21 ILE 9 5.608 7.150 -4.801 76 HG22 ILE 9 HG22 ILE 9 5.113 8.531 -3.819 77 HG23 ILE 9 HG23 ILE 9 6.823 8.114 -3.961 78 HD11 ILE 9 HD11 ILE 9 3.101 7.940 -7.373 79 HD12 ILE 9 HD12 ILE 9 3.799 7.260 -5.905 80 HD13 ILE 9 HD13 ILE 9 4.696 7.194 -7.425 81 H ASN 10 H ASN 10 7.057 10.842 -2.868 82 HA ASN 10 HA ASN 10 9.922 11.308 -3.244 83 HB2 ASN 10 HB2 ASN 10 8.169 11.759 -0.786 84 HB3 ASN 10 HB3 ASN 10 9.825 12.329 -1.004 85 HD21 ASN 10 HD21 ASN 10 6.522 12.658 -2.156 86 HD22 ASN 10 HD22 ASN 10 6.709 14.236 -2.816 87 H THR 11 H THR 11 7.933 9.633 -0.766 88 HA THR 11 HA THR 11 9.950 7.529 -0.394 89 HB THR 11 HB THR 11 7.301 8.128 1.010 90 HG1 THR 11 HG1 THR 11 8.557 8.801 2.637 91 HG21 THR 11 HG21 THR 11 9.160 5.766 1.540 92 HG22 THR 11 HG22 THR 11 7.491 5.666 0.955 93 HG23 THR 11 HG23 THR 11 7.828 6.261 2.587 94 H SER 12 H SER 12 9.636 5.434 -1.117 95 HA SER 12 HA SER 12 7.086 4.612 -2.288 96 HB2 SER 12 HB2 SER 12 9.669 4.676 -3.897 97 HB3 SER 12 HB3 SER 12 8.223 3.791 -4.387 98 HG SER 12 HG SER 12 7.524 6.290 -3.783 99 H HIS 13 H HIS 13 6.668 2.568 -2.005 100 HA HIS 13 HA HIS 13 8.508 0.766 -0.647 101 HB2 HIS 13 HB2 HIS 13 5.669 0.154 -1.601 102 HB3 HIS 13 HB3 HIS 13 6.559 -0.608 -0.275 103 HD2 HIS 13 HD2 HIS 13 4.379 2.531 -0.961 104 HE1 HIS 13 HE1 HIS 13 5.702 2.780 3.021 105 HE2 HIS 13 HE2 HIS 13 4.352 3.888 1.203 106 H MET 14 H MET 14 7.263 1.311 -3.865 107 HA MET 14 HA MET 14 8.793 -0.925 -5.036 108 HB2 MET 14 HB2 MET 14 7.113 1.213 -6.446 109 HB3 MET 14 HB3 MET 14 7.768 -0.253 -7.171 110 HG2 MET 14 HG2 MET 14 5.601 -0.104 -5.065 111 HG3 MET 14 HG3 MET 14 5.381 -0.478 -6.776 112 HE1 MET 14 HE1 MET 14 4.054 -2.720 -6.250 113 HE2 MET 14 HE2 MET 14 4.165 -2.335 -4.529 114 HE3 MET 14 HE3 MET 14 4.626 -3.935 -5.107 115 H LYS 15 H LYS 15 10.924 -0.540 -5.677 116 HA LYS 15 HA LYS 15 12.210 1.923 -5.154 117 HB2 LYS 15 HB2 LYS 15 14.231 0.926 -6.191 118 HB3 LYS 15 HB3 LYS 15 13.459 -0.142 -5.026 119 HG2 LYS 15 HG2 LYS 15 12.559 -1.537 -6.779 120 HG3 LYS 15 HG3 LYS 15 13.050 -0.385 -8.019 121 HD2 LYS 15 HD2 LYS 15 14.566 -2.308 -8.003 122 HD3 LYS 15 HD3 LYS 15 15.431 -0.846 -7.538 123 HE2 LYS 15 HE2 LYS 15 14.348 -2.789 -5.478 124 HE3 LYS 15 HE3 LYS 15 15.928 -3.006 -6.217 125 HZ1 LYS 15 HZ1 LYS 15 16.466 -0.719 -5.388 126 HZ2 LYS 15 HZ2 LYS 15 16.258 -1.893 -4.191 127 HZ3 LYS 15 HZ3 LYS 15 15.033 -0.772 -4.489 128 H GLY 16 H GLY 16 10.889 0.686 -8.177 129 HA2 GLY 16 HA2 GLY 16 12.105 2.628 -9.929 130 HA3 GLY 16 HA3 GLY 16 10.798 1.529 -10.327 131 H MET 17 H MET 17 9.780 3.098 -7.623 132 HA MET 17 HA MET 17 8.087 4.933 -9.207 133 HB2 MET 17 HB2 MET 17 6.959 3.084 -7.940 134 HB3 MET 17 HB3 MET 17 7.595 3.744 -6.438 135 HG2 MET 17 HG2 MET 17 6.269 5.757 -6.715 136 HG3 MET 17 HG3 MET 17 5.741 5.229 -8.312 137 HE1 MET 17 HE1 MET 17 5.469 4.608 -4.427 138 HE2 MET 17 HE2 MET 17 6.076 3.053 -5.000 139 HE3 MET 17 HE3 MET 17 4.432 3.182 -4.376 140 H LYS 18 H LYS 18 10.514 4.783 -6.738 141 HA LYS 18 HA LYS 18 9.981 7.206 -5.373 142 HB2 LYS 18 HB2 LYS 18 11.364 5.266 -4.525 143 HB3 LYS 18 HB3 LYS 18 12.666 5.789 -5.589 144 HG2 LYS 18 HG2 LYS 18 12.868 7.897 -4.391 145 HG3 LYS 18 HG3 LYS 18 11.442 7.522 -3.419 146 HD2 LYS 18 HD2 LYS 18 12.668 5.591 -2.414 147 HD3 LYS 18 HD3 LYS 18 14.100 6.034 -3.353 148 HE2 LYS 18 HE2 LYS 18 12.757 7.735 -1.213 149 HE3 LYS 18 HE3 LYS 18 14.290 6.873 -1.054 150 HZ1 LYS 18 HZ1 LYS 18 14.702 9.180 -1.505 151 HZ2 LYS 18 HZ2 LYS 18 13.717 9.151 -2.876 152 HZ3 LYS 18 HZ3 LYS 18 15.169 8.284 -2.860 153 H GLY 19 H GLY 19 10.234 9.193 -6.025 154 HA2 GLY 19 HA2 GLY 19 11.188 11.111 -6.904 155 HA3 GLY 19 HA3 GLY 19 12.393 10.141 -7.729 156 H ALA 20 H ALA 20 9.491 8.734 -8.486 157 HA ALA 20 HA ALA 20 9.706 9.658 -11.230 158 HB1 ALA 20 HB1 ALA 20 7.869 7.554 -10.031 159 HB2 ALA 20 HB2 ALA 20 9.468 7.264 -10.717 160 HB3 ALA 20 HB3 ALA 20 8.157 7.830 -11.752 161 H GLU 21 H GLU 21 7.865 10.197 -12.551 162 HA GLU 21 HA GLU 21 6.119 12.200 -11.372 163 HB2 GLU 21 HB2 GLU 21 6.409 11.286 -14.270 164 HB3 GLU 21 HB3 GLU 21 5.370 12.604 -13.740 165 HG2 GLU 21 HG2 GLU 21 7.322 13.581 -14.644 166 HG3 GLU 21 HG3 GLU 21 7.402 13.800 -12.904 167 H ALA 22 H ALA 22 4.226 11.652 -10.534 168 HA ALA 22 HA ALA 22 2.666 9.349 -11.565 169 HB1 ALA 22 HB1 ALA 22 3.437 9.071 -9.254 170 HB2 ALA 22 HB2 ALA 22 1.678 9.183 -9.330 171 HB3 ALA 22 HB3 ALA 22 2.629 10.571 -8.791 172 H THR 23 H THR 23 0.304 9.528 -11.434 173 HA THR 23 HA THR 23 -0.805 12.283 -11.339 174 HB THR 23 HB THR 23 -1.590 10.141 -13.380 175 HG1 THR 23 HG1 THR 23 0.376 11.098 -13.941 176 HG21 THR 23 HG21 THR 23 -3.004 11.902 -14.388 177 HG22 THR 23 HG22 THR 23 -2.574 13.011 -13.083 178 HG23 THR 23 HG23 THR 23 -3.516 11.558 -12.733 179 H VAL 24 H VAL 24 -2.489 12.471 -9.998 180 HA VAL 24 HA VAL 24 -3.505 10.204 -8.486 181 HB VAL 24 HB VAL 24 -4.316 13.147 -8.322 182 HG11 VAL 24 HG11 VAL 24 -5.212 12.589 -6.079 183 HG12 VAL 24 HG12 VAL 24 -4.829 10.887 -6.341 184 HG13 VAL 24 HG13 VAL 24 -6.043 11.684 -7.348 185 HG21 VAL 24 HG21 VAL 24 -1.916 12.875 -7.838 186 HG22 VAL 24 HG22 VAL 24 -2.283 11.642 -6.626 187 HG23 VAL 24 HG23 VAL 24 -2.808 13.310 -6.376 188 H THR 25 H THR 25 -4.931 8.946 -9.676 189 HA THR 25 HA THR 25 -7.304 10.261 -10.905 190 HB THR 25 HB THR 25 -7.635 8.031 -12.109 191 HG1 THR 25 HG1 THR 25 -4.957 7.370 -11.857 192 HG21 THR 25 HG21 THR 25 -6.690 9.987 -13.275 193 HG22 THR 25 HG22 THR 25 -5.944 8.491 -13.846 194 HG23 THR 25 HG23 THR 25 -5.073 9.542 -12.727 195 H GLY 26 H GLY 26 -6.526 8.856 -8.030 196 HA2 GLY 26 HA2 GLY 26 -9.334 8.290 -7.447 197 HA3 GLY 26 HA3 GLY 26 -8.233 6.930 -7.262 198 H ALA 27 H ALA 27 -9.866 8.502 -5.278 199 HA ALA 27 HA ALA 27 -7.731 8.905 -3.273 200 HB1 ALA 27 HB1 ALA 27 -10.057 10.831 -3.711 201 HB2 ALA 27 HB2 ALA 27 -8.364 11.148 -4.099 202 HB3 ALA 27 HB3 ALA 27 -8.854 10.934 -2.420 203 H TYR 28 H TYR 28 -8.124 7.276 -1.887 204 HA TYR 28 HA TYR 28 -10.878 6.678 -0.946 205 HB2 TYR 28 HB2 TYR 28 -8.392 4.932 -1.178 206 HB3 TYR 28 HB3 TYR 28 -9.766 4.457 -0.189 207 HD1 TYR 28 HD1 TYR 28 -9.044 5.576 -3.728 208 HD2 TYR 28 HD2 TYR 28 -11.389 3.067 -1.172 209 HE1 TYR 28 HE1 TYR 28 -10.107 4.549 -5.698 210 HE2 TYR 28 HE2 TYR 28 -12.446 2.050 -3.137 211 HH TYR 28 HH TYR 28 -12.874 2.508 -5.463 212 H ASP 29 H ASP 29 -11.301 7.463 1.060 213 HA ASP 29 HA ASP 29 -9.063 7.953 2.939 214 HB2 ASP 29 HB2 ASP 29 -10.563 9.502 4.129 215 HB3 ASP 29 HB3 ASP 29 -10.417 9.947 2.436 216 H THR 30 H THR 30 -8.752 5.891 3.702 217 HA THR 30 HA THR 30 -10.864 4.689 5.421 218 HB THR 30 HB THR 30 -10.901 3.451 3.282 219 HG1 THR 30 HG1 THR 30 -11.211 1.729 4.463 220 HG21 THR 30 HG21 THR 30 -8.607 3.901 2.490 221 HG22 THR 30 HG22 THR 30 -8.941 2.167 2.487 222 HG23 THR 30 HG23 THR 30 -7.953 2.869 3.768 223 H THR 31 H THR 31 -9.753 2.749 6.731 224 HA THR 31 HA THR 31 -7.350 3.758 8.043 225 HB THR 31 HB THR 31 -8.650 1.045 8.585 226 HG1 THR 31 HG1 THR 31 -10.014 2.060 10.025 227 HG21 THR 31 HG21 THR 31 -6.429 1.439 9.626 228 HG22 THR 31 HG22 THR 31 -7.700 1.373 10.849 229 HG23 THR 31 HG23 THR 31 -7.034 2.931 10.355 230 H ALA 32 H ALA 32 -5.312 3.211 7.413 231 HA ALA 32 HA ALA 32 -4.886 0.852 5.664 232 HB1 ALA 32 HB1 ALA 32 -3.143 3.327 5.944 233 HB2 ALA 32 HB2 ALA 32 -4.255 3.000 4.613 234 HB3 ALA 32 HB3 ALA 32 -2.850 1.960 4.860 235 H TYR 33 H TYR 33 -2.874 -0.365 6.085 236 HA TYR 33 HA TYR 33 -2.033 -0.331 8.919 237 HB2 TYR 33 HB2 TYR 33 -3.022 -2.793 7.402 238 HB3 TYR 33 HB3 TYR 33 -2.296 -2.826 9.006 239 HD1 TYR 33 HD1 TYR 33 -3.490 -1.556 10.900 240 HD2 TYR 33 HD2 TYR 33 -5.392 -2.417 7.169 241 HE1 TYR 33 HE1 TYR 33 -5.685 -1.175 11.927 242 HE2 TYR 33 HE2 TYR 33 -7.589 -2.045 8.210 243 HH TYR 33 HH TYR 33 -8.614 -2.064 10.441 244 H VAL 34 H VAL 34 -0.041 -1.054 9.350 245 HA VAL 34 HA VAL 34 1.818 -1.787 7.178 246 HB VAL 34 HB VAL 34 2.431 -1.189 10.126 247 HG11 VAL 34 HG11 VAL 34 4.287 -1.288 7.714 248 HG12 VAL 34 HG12 VAL 34 4.180 -2.504 8.989 249 HG13 VAL 34 HG13 VAL 34 4.761 -0.883 9.367 250 HG21 VAL 34 HG21 VAL 34 1.428 0.816 9.110 251 HG22 VAL 34 HG22 VAL 34 2.588 0.749 7.781 252 HG23 VAL 34 HG23 VAL 34 3.146 1.076 9.425 253 H VAL 35 H VAL 35 1.744 -4.014 6.831 254 HA VAL 35 HA VAL 35 1.332 -5.806 9.178 255 HB VAL 35 HB VAL 35 0.653 -7.578 7.529 256 HG11 VAL 35 HG11 VAL 35 -1.606 -6.659 7.086 257 HG12 VAL 35 HG12 VAL 35 -1.020 -5.034 7.458 258 HG13 VAL 35 HG13 VAL 35 -1.051 -6.272 8.718 259 HG21 VAL 35 HG21 VAL 35 0.731 -5.323 5.472 260 HG22 VAL 35 HG22 VAL 35 0.058 -6.934 5.196 261 HG23 VAL 35 HG23 VAL 35 1.784 -6.739 5.500 262 H SER 36 H SER 36 2.485 -7.755 9.309 263 HA SER 36 HA SER 36 5.018 -7.992 7.799 264 HB2 SER 36 HB2 SER 36 4.711 -8.191 10.837 265 HB3 SER 36 HB3 SER 36 6.176 -8.609 9.946 266 HG SER 36 HG SER 36 5.948 -6.393 10.914 267 H TYR 37 H TYR 37 5.307 -10.073 7.055 268 HA TYR 37 HA TYR 37 3.850 -12.328 8.150 269 HB2 TYR 37 HB2 TYR 37 2.408 -12.744 6.218 270 HB3 TYR 37 HB3 TYR 37 2.070 -11.135 6.833 271 HD1 TYR 37 HD2 TYR 37 2.856 -9.111 5.541 272 HD2 TYR 37 HD1 TYR 37 3.267 -13.060 3.947 273 HE1 TYR 37 HE2 TYR 37 3.239 -8.178 3.304 274 HE2 TYR 37 HE1 TYR 37 3.656 -12.118 1.709 275 HH TYR 37 HH TYR 37 4.259 -8.772 1.208 276 H THR 38 H THR 38 4.285 -14.299 7.007 277 HA THR 38 HA THR 38 6.810 -14.275 5.448 278 HB THR 38 HB THR 38 5.472 -16.678 6.793 279 HG1 THR 38 HG1 THR 38 6.575 -16.191 8.542 280 HG21 THR 38 HG21 THR 38 8.256 -16.373 5.583 281 HG22 THR 38 HG22 THR 38 6.929 -17.303 4.877 282 HG23 THR 38 HG23 THR 38 7.647 -17.806 6.409 283 HA PRO 39 HA PRO 39 4.027 -15.123 1.884 284 HB2 PRO 39 HB2 PRO 39 6.069 -15.914 0.129 285 HB3 PRO 39 HB3 PRO 39 5.558 -14.240 0.395 286 HG2 PRO 39 HG2 PRO 39 7.861 -15.745 1.638 287 HG3 PRO 39 HG3 PRO 39 7.825 -14.088 0.997 288 HD2 PRO 39 HD2 PRO 39 7.696 -14.525 3.640 289 HD3 PRO 39 HD3 PRO 39 6.712 -13.240 2.899 290 H THR 40 H THR 40 3.084 -17.016 1.095 291 HA THR 40 HA THR 40 3.455 -19.484 2.421 292 HB THR 40 HB THR 40 1.844 -20.449 0.819 293 HG1 THR 40 HG1 THR 40 1.634 -19.655 -1.131 294 HG21 THR 40 HG21 THR 40 0.919 -18.999 2.607 295 HG22 THR 40 HG22 THR 40 -0.046 -18.896 1.134 296 HG23 THR 40 HG23 THR 40 1.071 -17.593 1.547 297 H ASN 41 H ASN 41 5.089 -18.199 -0.352 298 HA ASN 41 HA ASN 41 6.154 -20.617 -1.464 299 HB2 ASN 41 HB2 ASN 41 7.093 -17.724 -1.570 300 HB3 ASN 41 HB3 ASN 41 7.898 -19.020 -2.446 301 HD21 ASN 41 HD21 ASN 41 4.353 -18.877 -2.123 302 HD22 ASN 41 HD22 ASN 41 4.073 -18.496 -3.775 303 H GLY 42 H GLY 42 7.012 -18.688 1.326 304 HA2 GLY 42 HA2 GLY 42 8.060 -19.443 3.223 305 HA3 GLY 42 HA3 GLY 42 8.531 -20.905 2.377 306 H GLY 43 H GLY 43 9.393 -17.665 1.152 307 HA2 GLY 43 HA2 GLY 43 12.237 -18.246 1.619 308 HA3 GLY 43 HA3 GLY 43 11.566 -17.023 0.548 309 H GLN 44 H GLN 44 12.250 -15.068 1.244 310 HA GLN 44 HA GLN 44 12.908 -14.453 3.971 311 HB2 GLN 44 HB2 GLN 44 14.113 -13.473 2.046 312 HB3 GLN 44 HB3 GLN 44 12.656 -12.647 1.519 313 HG2 GLN 44 HG2 GLN 44 13.496 -11.995 4.303 314 HG3 GLN 44 HG3 GLN 44 14.662 -11.533 3.071 315 HE21 GLN 44 HE21 GLN 44 14.087 -9.919 1.560 316 HE22 GLN 44 HE22 GLN 44 12.752 -8.859 1.829 317 H ARG 45 H ARG 45 11.447 -14.004 5.522 318 HA ARG 45 HA ARG 45 8.731 -13.489 5.265 319 HB2 ARG 45 HB2 ARG 45 9.765 -14.237 7.369 320 HB3 ARG 45 HB3 ARG 45 10.611 -12.702 7.534 321 HG2 ARG 45 HG2 ARG 45 8.374 -11.560 7.715 322 HG3 ARG 45 HG3 ARG 45 7.610 -13.152 7.707 323 HD2 ARG 45 HD2 ARG 45 9.583 -12.122 9.780 324 HD3 ARG 45 HD3 ARG 45 7.837 -12.247 9.989 325 HE ARG 45 HE ARG 45 8.355 -14.776 9.497 326 HH11 ARG 45 HH11 ARG 45 10.329 -12.660 11.417 327 HH12 ARG 45 HH12 ARG 45 10.806 -13.923 12.491 328 HH21 ARG 45 HH21 ARG 45 8.997 -16.362 10.905 329 HH22 ARG 45 HH22 ARG 45 10.077 -15.985 12.200 330 H VAL 46 H VAL 46 7.897 -11.817 4.088 331 HA VAL 46 HA VAL 46 9.126 -9.235 3.825 332 HB VAL 46 HB VAL 46 6.296 -10.079 3.028 333 HG11 VAL 46 HG11 VAL 46 7.948 -7.688 2.096 334 HG12 VAL 46 HG12 VAL 46 6.511 -7.625 3.120 335 HG13 VAL 46 HG13 VAL 46 6.374 -8.162 1.446 336 HG21 VAL 46 HG21 VAL 46 7.973 -11.517 1.931 337 HG22 VAL 46 HG22 VAL 46 8.840 -10.093 1.350 338 HG23 VAL 46 HG23 VAL 46 7.216 -10.441 0.752 339 H ASP 47 H ASP 47 9.176 -7.876 5.512 340 HA ASP 47 HA ASP 47 6.879 -7.713 7.386 341 HB2 ASP 47 HB2 ASP 47 8.396 -7.111 9.174 342 HB3 ASP 47 HB3 ASP 47 8.959 -8.608 8.443 343 H HIS 48 H HIS 48 6.434 -5.590 8.270 344 HA HIS 48 HA HIS 48 5.803 -3.412 8.014 345 HB2 HIS 48 HB2 HIS 48 8.668 -3.173 6.996 346 HB3 HIS 48 HB3 HIS 48 7.628 -1.779 7.258 347 HD1 HIS 48 HD1 HIS 48 9.303 -0.908 9.031 348 HD2 HIS 48 HD2 HIS 48 7.546 -4.543 10.006 349 HE1 HIS 48 HE1 HIS 48 9.751 -1.230 11.472 350 HE2 HIS 48 HE2 HIS 48 8.432 -3.277 12.082 351 H HIS 49 H HIS 49 5.158 -5.232 5.852 352 HA HIS 49 HA HIS 49 5.402 -4.069 3.287 353 HB2 HIS 49 HB2 HIS 49 4.829 -6.469 3.704 354 HB3 HIS 49 HB3 HIS 49 3.238 -5.978 4.279 355 HD2 HIS 49 HD2 HIS 49 1.512 -4.925 2.216 356 HE1 HIS 49 HE1 HIS 49 3.828 -6.608 -0.895 357 HE2 HIS 49 HE2 HIS 49 1.706 -5.361 -0.328 358 H LYS 50 H LYS 50 4.360 -2.438 2.353 359 HA LYS 50 HA LYS 50 1.837 -1.353 3.423 360 HB2 LYS 50 HB2 LYS 50 4.454 0.161 3.065 361 HB3 LYS 50 HB3 LYS 50 2.904 0.977 3.221 362 HG2 LYS 50 HG2 LYS 50 2.617 0.151 5.478 363 HG3 LYS 50 HG3 LYS 50 4.055 -0.868 5.343 364 HD2 LYS 50 HD2 LYS 50 4.320 2.123 4.939 365 HD3 LYS 50 HD3 LYS 50 4.154 1.490 6.575 366 HE2 LYS 50 HE2 LYS 50 6.525 1.863 5.791 367 HE3 LYS 50 HE3 LYS 50 6.183 0.256 6.416 368 HZ1 LYS 50 HZ1 LYS 50 6.264 0.920 3.524 369 HZ2 LYS 50 HZ2 LYS 50 6.147 -0.616 4.211 370 HZ3 LYS 50 HZ3 LYS 50 7.561 0.289 4.389 371 H TRP 51 H TRP 51 1.008 -0.169 0.123 372 HA TRP 51 HA TRP 51 0.420 -0.393 3.022 373 HB2 TRP 51 HB2 TRP 51 -0.721 1.512 0.932 374 HB3 TRP 51 HB3 TRP 51 -1.393 1.335 2.552 375 HD1 TRP 51 HD1 TRP 51 1.499 2.962 0.691 376 HE1 TRP 51 HE1 TRP 51 2.840 4.411 2.329 377 HE3 TRP 51 HE3 TRP 51 -0.699 1.490 5.085 378 HZ2 TRP 51 HZ2 TRP 51 2.987 4.862 5.114 379 HZ3 TRP 51 HZ3 TRP 51 0.098 2.482 7.195 380 HH2 TRP 51 HH2 TRP 51 1.901 4.140 7.206 381 H VAL 52 H VAL 52 -1.265 -1.512 3.706 382 HA VAL 52 HA VAL 52 -3.143 -2.751 1.771 383 HB VAL 52 HB VAL 52 -3.543 -4.573 3.393 384 HG11 VAL 52 HG11 VAL 52 -1.400 -5.778 3.150 385 HG12 VAL 52 HG12 VAL 52 -0.590 -4.265 2.732 386 HG13 VAL 52 HG13 VAL 52 -1.835 -4.923 1.666 387 HG21 VAL 52 HG21 VAL 52 -2.112 -4.893 5.393 388 HG22 VAL 52 HG22 VAL 52 -3.054 -3.405 5.510 389 HG23 VAL 52 HG23 VAL 52 -1.340 -3.332 5.095 390 H ILE 53 H ILE 53 -5.348 -2.514 2.162 391 HA ILE 53 HA ILE 53 -6.030 -0.424 4.159 392 HB ILE 53 HB ILE 53 -8.088 -0.013 2.847 393 HG12 ILE 53 HG12 ILE 53 -7.000 -2.061 0.852 394 HG13 ILE 53 HG13 ILE 53 -8.399 -2.311 1.890 395 HG21 ILE 53 HG21 ILE 53 -7.011 1.051 0.890 396 HG22 ILE 53 HG22 ILE 53 -5.553 0.097 1.168 397 HG23 ILE 53 HG23 ILE 53 -6.065 1.295 2.360 398 HD11 ILE 53 HD11 ILE 53 -8.159 -0.290 -0.337 399 HD12 ILE 53 HD12 ILE 53 -9.567 -0.490 0.712 400 HD13 ILE 53 HD13 ILE 53 -9.075 -1.796 -0.366 401 H GLN 54 H GLN 54 -8.065 -0.565 5.331 402 HA GLN 54 HA GLN 54 -8.616 -2.786 6.790 403 HB2 GLN 54 HB2 GLN 54 -9.365 -0.447 7.225 404 HB3 GLN 54 HB3 GLN 54 -10.594 -0.614 5.976 405 HG2 GLN 54 HG2 GLN 54 -11.699 -2.369 7.302 406 HG3 GLN 54 HG3 GLN 54 -10.460 -2.210 8.550 407 HE21 GLN 54 HE21 GLN 54 -11.909 -1.573 10.150 408 HE22 GLN 54 HE22 GLN 54 -12.711 -0.047 10.129 409 H GLU 55 H GLU 55 -10.186 -1.934 3.700 410 HA GLU 55 HA GLU 55 -12.121 -4.054 3.720 411 HB2 GLU 55 HB2 GLU 55 -12.408 -1.891 2.518 412 HB3 GLU 55 HB3 GLU 55 -11.103 -2.333 1.423 413 HG2 GLU 55 HG2 GLU 55 -12.429 -4.188 0.537 414 HG3 GLU 55 HG3 GLU 55 -13.715 -3.851 1.697 415 H GLU 56 H GLU 56 -8.786 -4.066 3.111 416 HA GLU 56 HA GLU 56 -8.743 -6.269 1.153 417 HB2 GLU 56 HB2 GLU 56 -7.289 -4.343 0.766 418 HB3 GLU 56 HB3 GLU 56 -6.562 -4.497 2.355 419 HG2 GLU 56 HG2 GLU 56 -5.215 -6.285 1.722 420 HG3 GLU 56 HG3 GLU 56 -6.305 -6.785 0.431 421 H ILE 57 H ILE 57 -8.605 -5.755 4.533 422 HA ILE 57 HA ILE 57 -7.355 -8.374 5.115 423 HB ILE 57 HB ILE 57 -7.926 -5.988 6.938 424 HG12 ILE 57 HG12 ILE 57 -5.294 -7.201 5.958 425 HG13 ILE 57 HG13 ILE 57 -5.963 -5.648 5.471 426 HG21 ILE 57 HG21 ILE 57 -8.283 -8.052 8.222 427 HG22 ILE 57 HG22 ILE 57 -6.804 -7.254 8.754 428 HG23 ILE 57 HG23 ILE 57 -6.710 -8.672 7.706 429 HD11 ILE 57 HD11 ILE 57 -5.654 -4.835 7.787 430 HD12 ILE 57 HD12 ILE 57 -4.149 -5.340 7.022 431 HD13 ILE 57 HD13 ILE 57 -4.924 -6.387 8.210 432 H LYS 58 H LYS 58 -8.575 -10.015 5.866 433 HA LYS 58 HA LYS 58 -11.406 -10.032 5.783 434 HB2 LYS 58 HB2 LYS 58 -10.026 -12.041 5.380 435 HB3 LYS 58 HB3 LYS 58 -9.466 -12.019 7.048 436 HG2 LYS 58 HG2 LYS 58 -11.728 -12.521 7.847 437 HG3 LYS 58 HG3 LYS 58 -12.354 -12.438 6.195 438 HD2 LYS 58 HD2 LYS 58 -10.932 -14.376 5.574 439 HD3 LYS 58 HD3 LYS 58 -10.327 -14.461 7.233 440 HE2 LYS 58 HE2 LYS 58 -12.546 -15.021 8.061 441 HE3 LYS 58 HE3 LYS 58 -13.252 -14.770 6.461 442 HZ1 LYS 58 HZ1 LYS 58 -11.981 -16.627 5.635 443 HZ2 LYS 58 HZ2 LYS 58 -12.920 -17.109 6.956 444 HZ3 LYS 58 HZ3 LYS 58 -11.260 -16.852 7.144 445 H ASP 59 H ASP 59 -9.172 -10.283 8.539 446 HA ASP 59 HA ASP 59 -11.183 -10.378 10.561 447 HB2 ASP 59 HB2 ASP 59 -8.170 -9.998 10.735 448 HB3 ASP 59 HB3 ASP 59 -9.218 -10.277 12.130 449 H ALA 60 H ALA 60 -10.028 -7.628 8.875 450 HA ALA 60 HA ALA 60 -9.659 -5.676 10.756 451 HB1 ALA 60 HB1 ALA 60 -11.049 -5.338 8.093 452 HB2 ALA 60 HB2 ALA 60 -9.304 -5.400 8.346 453 HB3 ALA 60 HB3 ALA 60 -10.246 -4.072 9.026 454 H GLY 61 H GLY 61 -12.889 -6.695 9.491 455 HA2 GLY 61 HA2 GLY 61 -14.872 -6.868 10.628 456 HA3 GLY 61 HA3 GLY 61 -13.958 -6.607 12.101 457 H ASP 62 H ASP 62 -14.196 -4.192 9.519 458 HA ASP 62 HA ASP 62 -14.841 -2.030 9.475 459 HB2 ASP 62 HB2 ASP 62 -17.093 -3.000 11.279 460 HB3 ASP 62 HB3 ASP 62 -17.055 -1.410 10.524 461 H LYS 63 H LYS 63 -13.148 -3.079 11.855 462 HA LYS 63 HA LYS 63 -13.306 -0.661 13.584 463 HB2 LYS 63 HB2 LYS 63 -12.501 -1.984 15.466 464 HB3 LYS 63 HB3 LYS 63 -13.930 -2.767 14.799 465 HG2 LYS 63 HG2 LYS 63 -12.524 -4.425 13.671 466 HG3 LYS 63 HG3 LYS 63 -11.066 -3.612 14.244 467 HD2 LYS 63 HD2 LYS 63 -11.739 -4.128 16.590 468 HD3 LYS 63 HD3 LYS 63 -13.151 -4.999 15.980 469 HE2 LYS 63 HE2 LYS 63 -11.686 -6.620 14.849 470 HE3 LYS 63 HE3 LYS 63 -10.259 -5.708 15.345 471 HZ1 LYS 63 HZ1 LYS 63 -12.160 -7.095 17.154 472 HZ2 LYS 63 HZ2 LYS 63 -10.828 -6.180 17.651 473 HZ3 LYS 63 HZ3 LYS 63 -10.592 -7.595 16.762 474 H THR 64 H THR 64 -11.119 -0.267 14.725 475 HA THR 64 HA THR 64 -8.985 -0.219 12.681 476 HB THR 64 HB THR 64 -9.099 1.364 15.299 477 HG1 THR 64 HG1 THR 64 -10.088 2.953 14.203 478 HG21 THR 64 HG21 THR 64 -6.820 1.179 14.339 479 HG22 THR 64 HG22 THR 64 -7.432 2.831 14.201 480 HG23 THR 64 HG23 THR 64 -7.424 1.774 12.789 481 H LEU 65 H LEU 65 -7.427 -1.740 12.862 482 HA LEU 65 HA LEU 65 -7.321 -3.559 15.129 483 HB2 LEU 65 HB2 LEU 65 -5.585 -3.461 12.626 484 HB3 LEU 65 HB3 LEU 65 -5.695 -4.810 13.749 485 HG LEU 65 HG LEU 65 -8.064 -3.804 12.110 486 HD11 LEU 65 HD11 LEU 65 -6.211 -6.115 11.448 487 HD12 LEU 65 HD12 LEU 65 -6.337 -4.588 10.569 488 HD13 LEU 65 HD13 LEU 65 -7.702 -5.701 10.595 489 HD21 LEU 65 HD21 LEU 65 -9.100 -5.953 12.692 490 HD22 LEU 65 HD22 LEU 65 -8.684 -5.050 14.146 491 HD23 LEU 65 HD23 LEU 65 -7.676 -6.407 13.635 492 H GLN 66 H GLN 66 -5.585 -3.840 16.590 493 HA GLN 66 HA GLN 66 -3.953 -1.428 17.029 494 HB2 GLN 66 HB2 GLN 66 -4.443 -3.818 18.865 495 HB3 GLN 66 HB3 GLN 66 -3.538 -2.377 19.300 496 HG2 GLN 66 HG2 GLN 66 -5.669 -2.167 20.321 497 HG3 GLN 66 HG3 GLN 66 -5.666 -1.048 18.961 498 HE21 GLN 66 HE21 GLN 66 -7.946 -1.026 18.944 499 HE22 GLN 66 HE22 GLN 66 -8.870 -2.350 18.341 500 HA PRO 67 HA PRO 67 0.040 -3.339 15.911 501 HB2 PRO 67 HB2 PRO 67 1.061 -2.022 18.431 502 HB3 PRO 67 HB3 PRO 67 1.712 -1.958 16.785 503 HG2 PRO 67 HG2 PRO 67 0.376 0.132 17.778 504 HG3 PRO 67 HG3 PRO 67 0.136 -0.356 16.086 505 HD2 PRO 67 HD2 PRO 67 -1.644 -0.847 18.475 506 HD3 PRO 67 HD3 PRO 67 -2.082 -0.410 16.806 507 H GLY 68 H GLY 68 0.454 -5.416 16.256 508 HA2 GLY 68 HA2 GLY 68 1.377 -7.187 17.652 509 HA3 GLY 68 HA3 GLY 68 0.374 -6.629 18.975 510 H ASP 69 H ASP 69 -1.914 -6.403 16.773 511 HA ASP 69 HA ASP 69 -3.023 -9.027 17.207 512 HB2 ASP 69 HB2 ASP 69 -3.943 -6.673 15.509 513 HB3 ASP 69 HB3 ASP 69 -4.829 -8.198 15.552 514 H GLN 70 H GLN 70 -3.603 -10.611 15.606 515 HA GLN 70 HA GLN 70 -2.009 -10.566 13.105 516 HB2 GLN 70 HB2 GLN 70 -2.661 -12.979 14.852 517 HB3 GLN 70 HB3 GLN 70 -1.894 -13.070 13.266 518 HG2 GLN 70 HG2 GLN 70 -0.008 -11.698 14.149 519 HG3 GLN 70 HG3 GLN 70 -0.744 -11.745 15.750 520 HE21 GLN 70 HE21 GLN 70 1.858 -12.734 14.863 521 HE22 GLN 70 HE22 GLN 70 1.899 -14.413 15.265 522 H VAL 71 H VAL 71 -2.999 -11.191 11.240 523 HA VAL 71 HA VAL 71 -5.920 -11.596 11.195 524 HB VAL 71 HB VAL 71 -6.126 -9.848 9.439 525 HG11 VAL 71 HG11 VAL 71 -6.580 -9.183 11.761 526 HG12 VAL 71 HG12 VAL 71 -5.853 -7.842 10.877 527 HG13 VAL 71 HG13 VAL 71 -4.876 -8.784 12.004 528 HG21 VAL 71 HG21 VAL 71 -3.839 -9.909 8.500 529 HG22 VAL 71 HG22 VAL 71 -3.187 -9.222 9.988 530 HG23 VAL 71 HG23 VAL 71 -4.262 -8.260 8.969 531 H ILE 72 H ILE 72 -6.695 -12.042 8.895 532 HA ILE 72 HA ILE 72 -4.740 -13.568 7.251 533 HB ILE 72 HB ILE 72 -7.766 -13.973 7.490 534 HG12 ILE 72 HG12 ILE 72 -6.548 -14.861 9.446 535 HG13 ILE 72 HG13 ILE 72 -7.211 -16.178 8.488 536 HG21 ILE 72 HG21 ILE 72 -7.499 -15.938 5.994 537 HG22 ILE 72 HG22 ILE 72 -5.803 -15.517 5.739 538 HG23 ILE 72 HG23 ILE 72 -7.076 -14.432 5.176 539 HD11 ILE 72 HD11 ILE 72 -4.325 -15.283 8.542 540 HD12 ILE 72 HD12 ILE 72 -4.971 -16.581 7.534 541 HD13 ILE 72 HD13 ILE 72 -5.004 -16.728 9.290 542 H LEU 73 H LEU 73 -4.585 -13.088 5.094 543 HA LEU 73 HA LEU 73 -5.823 -10.582 4.148 544 HB2 LEU 73 HB2 LEU 73 -3.485 -12.164 3.017 545 HB3 LEU 73 HB3 LEU 73 -4.001 -10.564 2.493 546 HG LEU 73 HG LEU 73 -2.885 -11.228 5.258 547 HD11 LEU 73 HD11 LEU 73 -1.562 -9.801 2.933 548 HD12 LEU 73 HD12 LEU 73 -1.161 -11.410 3.544 549 HD13 LEU 73 HD13 LEU 73 -0.882 -9.994 4.554 550 HD21 LEU 73 HD21 LEU 73 -2.818 -8.788 5.624 551 HD22 LEU 73 HD22 LEU 73 -4.467 -9.346 5.362 552 HD23 LEU 73 HD23 LEU 73 -3.602 -8.519 4.064 553 H GLU 74 H GLU 74 -7.580 -10.750 2.875 554 HA GLU 74 HA GLU 74 -8.222 -13.123 1.322 555 HB2 GLU 74 HB2 GLU 74 -9.645 -10.440 1.577 556 HB3 GLU 74 HB3 GLU 74 -10.265 -11.794 0.631 557 HG2 GLU 74 HG2 GLU 74 -9.797 -11.754 3.631 558 HG3 GLU 74 HG3 GLU 74 -11.357 -11.685 2.814 559 H ALA 75 H ALA 75 -6.669 -10.083 0.665 560 HA ALA 75 HA ALA 75 -6.787 -10.531 -2.268 561 HB1 ALA 75 HB1 ALA 75 -6.014 -8.201 -2.470 562 HB2 ALA 75 HB2 ALA 75 -5.909 -8.074 -0.711 563 HB3 ALA 75 HB3 ALA 75 -7.479 -8.297 -1.487 564 H SER 76 H SER 76 -4.690 -9.783 -3.400 565 HA SER 76 HA SER 76 -2.242 -10.655 -1.989 566 HB2 SER 76 HB2 SER 76 -2.990 -12.648 -3.179 567 HB3 SER 76 HB3 SER 76 -3.228 -11.731 -4.669 568 HG SER 76 HG SER 76 -1.206 -12.957 -4.492 569 H HIS 77 H HIS 77 -0.771 -8.930 -2.200 570 HA HIS 77 HA HIS 77 -0.492 -7.499 -4.700 571 HB2 HIS 77 HB2 HIS 77 1.137 -7.460 -2.115 572 HB3 HIS 77 HB3 HIS 77 1.404 -6.381 -3.479 573 HD2 HIS 77 HD2 HIS 77 -2.341 -6.557 -2.954 574 HE1 HIS 77 HE1 HIS 77 -0.926 -3.346 -0.592 575 HE2 HIS 77 HE2 HIS 77 -2.971 -4.558 -1.426 576 H MET 78 H MET 78 0.764 -10.408 -3.285 577 HA MET 78 HA MET 78 2.606 -10.860 -5.502 578 HB2 MET 78 HB2 MET 78 4.568 -11.343 -4.094 579 HB3 MET 78 HB3 MET 78 4.050 -9.682 -3.866 580 HG2 MET 78 HG2 MET 78 3.013 -10.266 -1.724 581 HG3 MET 78 HG3 MET 78 3.446 -11.960 -1.965 582 HE1 MET 78 HE1 MET 78 5.565 -8.636 -2.644 583 HE2 MET 78 HE2 MET 78 6.506 -8.575 -1.153 584 HE3 MET 78 HE3 MET 78 4.758 -8.352 -1.100 585 H LYS 79 H LYS 79 3.354 -13.086 -5.645 586 HA LYS 79 HA LYS 79 1.483 -15.085 -4.871 587 HB2 LYS 79 HB2 LYS 79 2.869 -15.217 -6.924 588 HB3 LYS 79 HB3 LYS 79 4.324 -15.349 -5.944 589 HG2 LYS 79 HG2 LYS 79 3.570 -17.536 -5.089 590 HG3 LYS 79 HG3 LYS 79 2.076 -17.395 -6.021 591 HD2 LYS 79 HD2 LYS 79 3.720 -18.870 -7.150 592 HD3 LYS 79 HD3 LYS 79 3.346 -17.448 -8.127 593 HE2 LYS 79 HE2 LYS 79 5.454 -16.383 -7.387 594 HE3 LYS 79 HE3 LYS 79 5.823 -17.788 -6.389 595 HZ1 LYS 79 HZ1 LYS 79 5.574 -17.772 -9.341 596 HZ2 LYS 79 HZ2 LYS 79 5.907 -19.127 -8.394 597 HZ3 LYS 79 HZ3 LYS 79 7.016 -17.854 -8.462 598 H GLY 80 H GLY 80 1.226 -15.340 -2.693 599 HA2 GLY 80 HA2 GLY 80 2.295 -16.752 -0.838 600 HA3 GLY 80 HA3 GLY 80 3.591 -15.570 -0.905 601 H MET 81 H MET 81 1.121 -13.667 -1.529 602 HA MET 81 HA MET 81 0.992 -12.505 1.095 603 HB2 MET 81 HB2 MET 81 1.112 -11.196 -1.020 604 HB3 MET 81 HB3 MET 81 -0.465 -11.805 -1.492 605 HG2 MET 81 HG2 MET 81 -0.761 -9.585 -0.721 606 HG3 MET 81 HG3 MET 81 -1.411 -10.638 0.538 607 HE1 MET 81 HE1 MET 81 -0.174 -7.394 0.515 608 HE2 MET 81 HE2 MET 81 0.329 -7.372 2.207 609 HE3 MET 81 HE3 MET 81 -1.232 -8.063 1.760 610 H LYS 82 H LYS 82 -1.569 -13.710 -1.125 611 HA LYS 82 HA LYS 82 -3.717 -13.452 0.718 612 HB2 LYS 82 HB2 LYS 82 -4.037 -13.378 -1.729 613 HB3 LYS 82 HB3 LYS 82 -3.553 -15.067 -1.859 614 HG2 LYS 82 HG2 LYS 82 -5.542 -15.708 -0.493 615 HG3 LYS 82 HG3 LYS 82 -6.032 -14.011 -0.450 616 HD2 LYS 82 HD2 LYS 82 -6.296 -14.015 -2.904 617 HD3 LYS 82 HD3 LYS 82 -5.738 -15.692 -2.977 618 HE2 LYS 82 HE2 LYS 82 -8.278 -14.699 -1.624 619 HE3 LYS 82 HE3 LYS 82 -8.181 -15.595 -3.140 620 HZ1 LYS 82 HZ1 LYS 82 -7.170 -17.447 -1.853 621 HZ2 LYS 82 HZ2 LYS 82 -8.763 -17.096 -1.412 622 HZ3 LYS 82 HZ3 LYS 82 -7.488 -16.585 -0.431 623 H GLY 83 H GLY 83 -4.485 -14.812 2.255 624 HA2 GLY 83 HA2 GLY 83 -5.194 -16.880 3.131 625 HA3 GLY 83 HA3 GLY 83 -4.067 -17.723 2.084 626 H ALA 84 H ALA 84 -1.876 -15.821 2.948 627 HA ALA 84 HA ALA 84 -0.802 -17.355 5.096 628 HB1 ALA 84 HB1 ALA 84 0.173 -14.714 3.940 629 HB2 ALA 84 HB2 ALA 84 0.620 -16.323 3.369 630 HB3 ALA 84 HB3 ALA 84 1.104 -15.798 4.982 631 H THR 85 H THR 85 -0.113 -16.552 7.182 632 HA THR 85 HA THR 85 -2.103 -14.856 8.504 633 HB THR 85 HB THR 85 0.293 -16.294 9.752 634 HG1 THR 85 HG1 THR 85 -1.324 -17.823 10.411 635 HG21 THR 85 HG21 THR 85 -0.527 -14.425 11.164 636 HG22 THR 85 HG22 THR 85 -0.928 -15.978 11.900 637 HG23 THR 85 HG23 THR 85 -2.174 -15.056 11.055 638 H ALA 86 H ALA 86 -1.801 -12.730 8.585 639 HA ALA 86 HA ALA 86 0.891 -11.524 8.376 640 HB1 ALA 86 HB1 ALA 86 -1.847 -10.269 7.939 641 HB2 ALA 86 HB2 ALA 86 -0.713 -10.754 6.677 642 HB3 ALA 86 HB3 ALA 86 -0.297 -9.436 7.774 643 H GLU 87 H GLU 87 1.513 -9.965 9.937 644 HA GLU 87 HA GLU 87 -0.116 -9.809 12.410 645 HB2 GLU 87 HB2 GLU 87 2.024 -11.084 12.671 646 HB3 GLU 87 HB3 GLU 87 2.925 -9.666 12.146 647 HG2 GLU 87 HG2 GLU 87 2.125 -8.425 14.131 648 HG3 GLU 87 HG3 GLU 87 1.204 -9.840 14.644 649 H ILE 88 H ILE 88 -0.988 -7.845 12.656 650 HA ILE 88 HA ILE 88 -0.301 -5.484 11.294 651 HB ILE 88 HB ILE 88 -1.737 -5.696 13.988 652 HG12 ILE 88 HG12 ILE 88 -2.845 -7.085 12.241 653 HG13 ILE 88 HG13 ILE 88 -3.854 -5.730 12.729 654 HG21 ILE 88 HG21 ILE 88 -1.804 -3.426 11.950 655 HG22 ILE 88 HG22 ILE 88 -1.006 -3.386 13.523 656 HG23 ILE 88 HG23 ILE 88 -2.763 -3.509 13.433 657 HD11 ILE 88 HD11 ILE 88 -2.241 -5.942 10.187 658 HD12 ILE 88 HD12 ILE 88 -3.187 -4.531 10.671 659 HD13 ILE 88 HD13 ILE 88 -3.991 -6.066 10.351 660 H ASP 89 H ASP 89 1.821 -4.877 11.412 661 HA ASP 89 HA ASP 89 3.445 -4.776 13.760 662 HB2 ASP 89 HB2 ASP 89 4.414 -4.982 11.500 663 HB3 ASP 89 HB3 ASP 89 3.695 -3.455 11.013 664 H SER 90 H SER 90 1.387 -2.527 12.005 665 HA SER 90 HA SER 90 0.955 -0.805 14.243 666 HB2 SER 90 HB2 SER 90 3.191 0.079 13.496 667 HB3 SER 90 HB3 SER 90 2.496 0.448 11.917 668 HG SER 90 HG SER 90 2.400 2.296 13.147 669 H ALA 91 H ALA 91 -0.558 0.978 13.690 670 HA ALA 91 HA ALA 91 -2.135 0.542 11.203 671 HB1 ALA 91 HB1 ALA 91 -4.189 0.961 12.499 672 HB2 ALA 91 HB2 ALA 91 -3.243 1.102 13.985 673 HB3 ALA 91 HB3 ALA 91 -3.319 -0.439 13.128 674 H GLU 92 H GLU 92 -2.794 2.377 10.160 675 HA GLU 92 HA GLU 92 -2.426 5.023 11.405 676 HB2 GLU 92 HB2 GLU 92 -0.335 4.565 10.182 677 HB3 GLU 92 HB3 GLU 92 -1.234 4.180 8.723 678 HG2 GLU 92 HG2 GLU 92 -0.190 6.419 8.639 679 HG3 GLU 92 HG3 GLU 92 -1.945 6.481 8.479 680 H LYS 93 H LYS 93 -4.161 6.260 11.109 681 HA LYS 93 HA LYS 93 -6.214 5.552 9.146 682 HB2 LYS 93 HB2 LYS 93 -6.715 6.203 11.587 683 HB3 LYS 93 HB3 LYS 93 -6.236 7.839 11.170 684 HG2 LYS 93 HG2 LYS 93 -8.642 7.691 11.112 685 HG3 LYS 93 HG3 LYS 93 -8.050 7.912 9.459 686 HD2 LYS 93 HD2 LYS 93 -8.336 5.515 9.007 687 HD3 LYS 93 HD3 LYS 93 -8.821 5.230 10.683 688 HE2 LYS 93 HE2 LYS 93 -10.805 6.690 10.324 689 HE3 LYS 93 HE3 LYS 93 -10.336 6.888 8.634 690 HZ1 LYS 93 HZ1 LYS 93 -11.989 5.214 8.784 691 HZ2 LYS 93 HZ2 LYS 93 -11.148 4.389 9.994 692 HZ3 LYS 93 HZ3 LYS 93 -10.530 4.437 8.424 693 H THR 94 H THR 94 -5.456 6.160 7.158 694 HA THR 94 HA THR 94 -4.602 8.950 6.671 695 HB THR 94 HB THR 94 -2.505 7.776 6.956 696 HG1 THR 94 HG1 THR 94 -2.476 7.720 4.199 697 HG21 THR 94 HG21 THR 94 -3.246 5.447 6.618 698 HG22 THR 94 HG22 THR 94 -1.846 5.820 5.612 699 HG23 THR 94 HG23 THR 94 -3.453 5.760 4.888 700 H THR 95 H THR 95 -4.766 9.636 4.430 701 HA THR 95 HA THR 95 -6.820 8.220 2.896 702 HB THR 95 HB THR 95 -5.440 10.854 2.191 703 HG1 THR 95 HG1 THR 95 -6.666 11.775 3.644 704 HG21 THR 95 HG21 THR 95 -7.481 11.253 0.820 705 HG22 THR 95 HG22 THR 95 -8.092 9.657 1.261 706 HG23 THR 95 HG23 THR 95 -6.626 9.801 0.287 707 H VAL 96 H VAL 96 -6.315 6.962 1.165 708 HA VAL 96 HA VAL 96 -3.513 6.806 0.249 709 HB VAL 96 HB VAL 96 -3.968 4.358 -0.250 710 HG11 VAL 96 HG11 VAL 96 -4.137 5.157 2.685 711 HG12 VAL 96 HG12 VAL 96 -2.658 5.019 1.730 712 HG13 VAL 96 HG13 VAL 96 -3.623 3.581 2.073 713 HG21 VAL 96 HG21 VAL 96 -6.448 4.399 -0.247 714 HG22 VAL 96 HG22 VAL 96 -6.452 4.771 1.478 715 HG23 VAL 96 HG23 VAL 96 -5.841 3.214 0.913 716 H TYR 97 H TYR 97 -3.180 6.785 -1.934 717 HA TYR 97 HA TYR 97 -5.503 7.509 -3.613 718 HB2 TYR 97 HB2 TYR 97 -2.618 8.494 -3.744 719 HB3 TYR 97 HB3 TYR 97 -3.882 8.943 -4.887 720 HD1 TYR 97 HD1 TYR 97 -2.679 9.366 -1.405 721 HD2 TYR 97 HD2 TYR 97 -5.634 10.551 -4.261 722 HE1 TYR 97 HE1 TYR 97 -3.378 11.200 0.069 723 HE2 TYR 97 HE2 TYR 97 -6.314 12.394 -2.786 724 HH TYR 97 HH TYR 97 -4.494 13.311 0.001 725 H MET 98 H MET 98 -5.508 7.000 -5.786 726 HA MET 98 HA MET 98 -3.887 4.698 -6.686 727 HB2 MET 98 HB2 MET 98 -6.378 4.482 -6.745 728 HB3 MET 98 HB3 MET 98 -6.476 5.887 -7.800 729 HG2 MET 98 HG2 MET 98 -5.248 4.675 -9.539 730 HG3 MET 98 HG3 MET 98 -5.104 3.280 -8.472 731 HE1 MET 98 HE1 MET 98 -7.444 5.347 -10.839 732 HE2 MET 98 HE2 MET 98 -8.166 5.714 -9.271 733 HE3 MET 98 HE3 MET 98 -9.039 4.716 -10.435 734 H VAL 99 H VAL 99 -2.109 5.280 -7.915 735 HA VAL 99 HA VAL 99 -2.202 7.811 -9.479 736 HB VAL 99 HB VAL 99 0.242 8.121 -8.975 737 HG11 VAL 99 HG11 VAL 99 -0.063 8.977 -6.665 738 HG12 VAL 99 HG12 VAL 99 -1.566 8.062 -6.521 739 HG13 VAL 99 HG13 VAL 99 -1.445 9.379 -7.691 740 HG21 VAL 99 HG21 VAL 99 0.842 5.781 -8.419 741 HG22 VAL 99 HG22 VAL 99 -0.158 5.855 -6.966 742 HG23 VAL 99 HG23 VAL 99 1.283 6.866 -7.096 743 H ASP 100 H ASP 100 -1.120 7.917 -11.471 744 HA ASP 100 HA ASP 100 -0.214 5.358 -12.681 745 HB2 ASP 100 HB2 ASP 100 -0.955 7.875 -14.238 746 HB3 ASP 100 HB3 ASP 100 -0.916 6.203 -14.804 747 H TYR 101 H TYR 101 1.998 5.215 -13.064 748 HA TYR 101 HA TYR 101 3.565 7.657 -13.592 749 HB2 TYR 101 HB2 TYR 101 5.289 7.089 -11.967 750 HB3 TYR 101 HB3 TYR 101 3.743 7.162 -11.142 751 HD1 TYR 101 HD1 TYR 101 2.652 5.026 -10.339 752 HD2 TYR 101 HD2 TYR 101 6.567 5.006 -12.053 753 HE1 TYR 101 HE1 TYR 101 3.055 2.788 -9.420 754 HE2 TYR 101 HE2 TYR 101 6.961 2.766 -11.133 755 HH TYR 101 HH TYR 101 4.457 0.841 -9.835 756 H THR 102 H THR 102 5.765 7.220 -14.385 757 HA THR 102 HA THR 102 6.086 4.646 -15.839 758 HB THR 102 HB THR 102 7.668 7.233 -16.295 759 HG1 THR 102 HG1 THR 102 6.358 7.523 -18.109 760 HG21 THR 102 HG21 THR 102 8.876 5.154 -16.982 761 HG22 THR 102 HG22 THR 102 8.437 6.143 -18.376 762 HG23 THR 102 HG23 THR 102 7.494 4.703 -17.993 763 H SER 103 H SER 103 7.404 3.220 -14.794 764 HA SER 103 HA SER 103 8.905 3.866 -12.475 765 HB2 SER 103 HB2 SER 103 9.711 1.543 -12.531 766 HB3 SER 103 HB3 SER 103 7.987 1.591 -12.907 767 HG SER 103 HG SER 103 8.782 1.644 -15.197 768 H THR 104 H THR 104 10.888 4.677 -12.253 769 HA THR 104 HA THR 104 12.453 5.585 -14.447 770 HB THR 104 HB THR 104 14.040 6.406 -12.696 771 HG1 THR 104 HG1 THR 104 13.489 5.973 -10.481 772 HG21 THR 104 HG21 THR 104 12.021 7.759 -13.226 773 HG22 THR 104 HG22 THR 104 12.491 7.926 -11.535 774 HG23 THR 104 HG23 THR 104 11.122 6.902 -11.968 775 H THR 105 H THR 105 12.902 2.913 -12.114 776 HA THR 105 HA THR 105 15.552 2.222 -13.044 777 HB THR 105 HB THR 105 15.412 0.317 -11.476 778 HG1 THR 105 HG1 THR 105 13.552 -0.430 -10.784 779 HG21 THR 105 HG21 THR 105 15.073 1.533 -9.353 780 HG22 THR 105 HG22 THR 105 14.275 2.846 -10.222 781 HG23 THR 105 HG23 THR 105 15.987 2.515 -10.501 782 H SER 106 H SER 106 12.313 0.734 -13.324 783 HA SER 106 HA SER 106 13.241 -1.500 -14.922 784 HB2 SER 106 HB2 SER 106 11.432 -1.839 -13.300 785 HB3 SER 106 HB3 SER 106 10.421 -0.651 -14.123 786 HG SER 106 HG SER 106 10.451 -2.069 -15.969 787 H GLY 107 H GLY 107 11.581 1.573 -15.576 788 HA2 GLY 107 HA2 GLY 107 11.239 2.668 -17.612 789 HA3 GLY 107 HA3 GLY 107 11.886 1.281 -18.467 790 H GLU 108 H GLU 108 9.600 0.215 -16.342 791 HA GLU 108 HA GLU 108 7.644 -0.352 -18.424 792 HB2 GLU 108 HB2 GLU 108 8.269 -2.116 -16.826 793 HB3 GLU 108 HB3 GLU 108 7.714 -1.140 -15.474 794 HG2 GLU 108 HG2 GLU 108 6.068 -2.843 -15.940 795 HG3 GLU 108 HG3 GLU 108 5.391 -1.274 -16.358 796 H LYS 109 H LYS 109 5.636 0.503 -18.625 797 HA LYS 109 HA LYS 109 4.916 2.910 -17.130 798 HB2 LYS 109 HB2 LYS 109 3.558 1.523 -19.497 799 HB3 LYS 109 HB3 LYS 109 2.995 3.020 -18.768 800 HG2 LYS 109 HG2 LYS 109 4.163 3.603 -20.771 801 HG3 LYS 109 HG3 LYS 109 5.179 4.100 -19.416 802 HD2 LYS 109 HD2 LYS 109 6.607 2.107 -19.746 803 HD3 LYS 109 HD3 LYS 109 5.562 1.558 -21.060 804 HE2 LYS 109 HE2 LYS 109 7.166 4.143 -21.071 805 HE3 LYS 109 HE3 LYS 109 7.647 2.647 -21.871 806 HZ1 LYS 109 HZ1 LYS 109 6.591 4.249 -23.378 807 HZ2 LYS 109 HZ2 LYS 109 5.162 4.157 -22.481 808 HZ3 LYS 109 HZ3 LYS 109 5.737 2.793 -23.297 809 H VAL 110 H VAL 110 3.865 2.673 -15.244 810 HA VAL 110 HA VAL 110 2.025 0.368 -14.811 811 HB VAL 110 HB VAL 110 3.520 1.961 -12.671 812 HG11 VAL 110 HG11 VAL 110 1.371 1.086 -11.831 813 HG12 VAL 110 HG12 VAL 110 2.715 0.218 -11.089 814 HG13 VAL 110 HG13 VAL 110 1.791 -0.537 -12.390 815 HG21 VAL 110 HG21 VAL 110 4.892 -0.081 -12.320 816 HG22 VAL 110 HG22 VAL 110 5.109 0.578 -13.945 817 HG23 VAL 110 HG23 VAL 110 4.098 -0.847 -13.700 818 H LYS 111 H LYS 111 -0.094 0.911 -14.653 819 HA LYS 111 HA LYS 111 -0.825 3.729 -14.050 820 HB2 LYS 111 HB2 LYS 111 -2.782 3.510 -15.487 821 HB3 LYS 111 HB3 LYS 111 -1.328 3.148 -16.410 822 HG2 LYS 111 HG2 LYS 111 -1.804 0.781 -16.390 823 HG3 LYS 111 HG3 LYS 111 -3.119 1.002 -15.228 824 HD2 LYS 111 HD2 LYS 111 -4.394 2.294 -16.914 825 HD3 LYS 111 HD3 LYS 111 -3.086 2.076 -18.080 826 HE2 LYS 111 HE2 LYS 111 -3.474 -0.345 -18.104 827 HE3 LYS 111 HE3 LYS 111 -4.696 -0.190 -16.838 828 HZ1 LYS 111 HZ1 LYS 111 -4.881 1.016 -19.545 829 HZ2 LYS 111 HZ2 LYS 111 -6.062 1.082 -18.339 830 HZ3 LYS 111 HZ3 LYS 111 -5.667 -0.399 -19.052 831 H ASN 112 H ASN 112 -2.728 4.073 -12.873 832 HA ASN 112 HA ASN 112 -4.055 3.858 -11.049 833 HB2 ASN 112 HB2 ASN 112 -4.717 1.195 -12.376 834 HB3 ASN 112 HB3 ASN 112 -5.708 1.993 -11.162 835 HD21 ASN 112 HD21 ASN 112 -5.362 4.697 -12.223 836 HD22 ASN 112 HD22 ASN 112 -6.259 4.747 -13.689 837 H HIS 113 H HIS 113 -1.384 3.088 -10.563 838 HA HIS 113 HA HIS 113 -0.953 0.775 -9.063 839 HB2 HIS 113 HB2 HIS 113 0.919 2.102 -9.842 840 HB3 HIS 113 HB3 HIS 113 0.395 3.501 -8.910 841 HD2 HIS 113 HD2 HIS 113 1.256 3.579 -6.288 842 HE1 HIS 113 HE1 HIS 113 3.231 -0.158 -6.350 843 HE2 HIS 113 HE2 HIS 113 2.633 1.854 -4.939 844 H LYS 114 H LYS 114 -1.226 0.191 -6.982 845 HA LYS 114 HA LYS 114 -2.353 2.043 -4.980 846 HB2 LYS 114 HB2 LYS 114 -3.470 -0.728 -5.640 847 HB3 LYS 114 HB3 LYS 114 -4.027 0.316 -4.333 848 HG2 LYS 114 HG2 LYS 114 -4.813 1.974 -5.978 849 HG3 LYS 114 HG3 LYS 114 -4.237 0.949 -7.298 850 HD2 LYS 114 HD2 LYS 114 -5.817 -0.842 -6.536 851 HD3 LYS 114 HD3 LYS 114 -6.436 0.265 -5.305 852 HE2 LYS 114 HE2 LYS 114 -7.932 0.268 -7.215 853 HE3 LYS 114 HE3 LYS 114 -7.122 1.831 -7.132 854 HZ1 LYS 114 HZ1 LYS 114 -6.503 -0.415 -8.970 855 HZ2 LYS 114 HZ2 LYS 114 -5.541 0.964 -8.822 856 HZ3 LYS 114 HZ3 LYS 114 -7.131 1.103 -9.379 857 H TRP 115 H TRP 115 -0.641 0.180 -2.418 858 HA TRP 115 HA TRP 115 -2.048 2.610 -3.383 859 HB2 TRP 115 HB2 TRP 115 -1.806 1.506 -0.548 860 HB3 TRP 115 HB3 TRP 115 -2.603 3.018 -0.970 861 HD1 TRP 115 HD1 TRP 115 -3.292 -0.658 -0.628 862 HE1 TRP 115 HE1 TRP 115 -5.707 -1.154 -1.330 863 HE3 TRP 115 HE3 TRP 115 -4.442 3.816 -2.850 864 HZ2 TRP 115 HZ2 TRP 115 -7.819 0.144 -2.656 865 HZ3 TRP 115 HZ3 TRP 115 -6.687 4.103 -3.819 866 HH2 TRP 115 HH2 TRP 115 -8.342 2.300 -3.722 867 H VAL 116 H VAL 116 -1.372 4.627 -2.678 868 HA VAL 116 HA VAL 116 1.244 4.926 -1.302 869 HB VAL 116 HB VAL 116 1.665 7.033 -2.594 870 HG11 VAL 116 HG11 VAL 116 1.370 4.594 -4.396 871 HG12 VAL 116 HG12 VAL 116 2.755 4.963 -3.366 872 HG13 VAL 116 HG13 VAL 116 2.372 6.010 -4.732 873 HG21 VAL 116 HG21 VAL 116 -0.660 7.602 -3.208 874 HG22 VAL 116 HG22 VAL 116 -0.731 6.213 -4.294 875 HG23 VAL 116 HG23 VAL 116 0.366 7.551 -4.645 876 H THR 117 H THR 117 1.359 6.781 0.122 877 HA THR 117 HA THR 117 -1.267 7.929 0.911 878 HB THR 117 HB THR 117 -0.154 8.615 3.044 879 HG1 THR 117 HG1 THR 117 2.079 7.083 2.150 880 HG21 THR 117 HG21 THR 117 -1.328 6.451 2.981 881 HG22 THR 117 HG22 THR 117 0.087 6.358 4.033 882 HG23 THR 117 HG23 THR 117 0.144 5.656 2.416 883 H GLU 118 H GLU 118 -1.332 10.211 1.528 884 HA GLU 118 HA GLU 118 -0.303 11.970 -0.431 885 HB2 GLU 118 HB2 GLU 118 -2.406 12.329 0.836 886 HB3 GLU 118 HB3 GLU 118 -1.480 12.619 2.301 887 HG2 GLU 118 HG2 GLU 118 -0.581 14.673 1.415 888 HG3 GLU 118 HG3 GLU 118 -1.263 14.343 -0.183 889 H ASP 119 H ASP 119 0.916 11.026 2.719 890 HA ASP 119 HA ASP 119 2.950 12.949 3.135 891 HB2 ASP 119 HB2 ASP 119 2.850 10.023 3.977 892 HB3 ASP 119 HB3 ASP 119 3.924 11.243 4.661 893 H GLU 120 H GLU 120 2.797 10.190 1.001 894 HA GLU 120 HA GLU 120 5.649 10.248 0.306 895 HB2 GLU 120 HB2 GLU 120 3.370 8.549 -0.798 896 HB3 GLU 120 HB3 GLU 120 5.084 8.340 -1.172 897 HG2 GLU 120 HG2 GLU 120 5.525 7.766 1.186 898 HG3 GLU 120 HG3 GLU 120 3.817 7.997 1.563 899 H LEU 121 H LEU 121 3.159 12.249 -0.527 900 HA LEU 121 HA LEU 121 3.824 12.359 -3.421 901 HB2 LEU 121 HB2 LEU 121 1.109 12.995 -2.176 902 HB3 LEU 121 HB3 LEU 121 1.510 13.067 -3.887 903 HG LEU 121 HG LEU 121 1.315 10.554 -2.180 904 HD11 LEU 121 HD11 LEU 121 -0.444 11.503 -4.463 905 HD12 LEU 121 HD12 LEU 121 -0.864 11.513 -2.747 906 HD13 LEU 121 HD13 LEU 121 -0.612 9.982 -3.579 907 HD21 LEU 121 HD21 LEU 121 2.010 10.759 -5.129 908 HD22 LEU 121 HD22 LEU 121 1.714 9.265 -4.235 909 HD23 LEU 121 HD23 LEU 121 3.101 10.269 -3.828 910 H SER 122 H SER 122 4.264 14.349 -4.242 911 HA SER 122 HA SER 122 3.752 16.803 -2.645 912 HB2 SER 122 HB2 SER 122 6.323 16.181 -4.190 913 HB3 SER 122 HB3 SER 122 5.937 17.738 -3.451 914 HG SER 122 HG SER 122 5.626 16.055 -1.522 915 H ALA 123 H ALA 123 2.563 18.241 -3.818 916 HA ALA 123 HA ALA 123 1.522 17.685 -6.347 917 HB1 ALA 123 HB1 ALA 123 1.629 20.378 -4.949 918 HB2 ALA 123 HB2 ALA 123 0.399 19.132 -4.717 919 HB3 ALA 123 HB3 ALA 123 0.547 19.939 -6.277 920 H LYS 124 H LYS 124 2.368 17.819 -8.331 921 HA LYS 124 HA LYS 124 5.042 18.884 -8.684 922 HB2 LYS 124 HB2 LYS 124 4.394 16.654 -9.543 923 HB3 LYS 124 HB3 LYS 124 3.239 17.405 -10.642 924 HG2 LYS 124 HG2 LYS 124 5.085 18.520 -11.832 925 HG3 LYS 124 HG3 LYS 124 6.253 17.820 -10.704 926 HD2 LYS 124 HD2 LYS 124 5.645 15.551 -11.477 927 HD3 LYS 124 HD3 LYS 124 4.449 16.236 -12.585 928 HE2 LYS 124 HE2 LYS 124 7.434 16.817 -12.715 929 HE3 LYS 124 HE3 LYS 124 6.605 15.607 -13.693 930 HZ1 LYS 124 HZ1 LYS 124 5.257 17.356 -14.663 931 HZ2 LYS 124 HZ2 LYS 124 6.901 17.664 -14.898 932 HZ3 LYS 124 HZ3 LYS 124 6.043 18.521 -13.722 933 H LEU 125 H LEU 125 4.593 21.136 -8.469 934 HA LEU 125 HA LEU 125 3.331 22.576 -10.666 935 HB2 LEU 125 HB2 LEU 125 5.012 23.463 -8.284 936 HB3 LEU 125 HB3 LEU 125 4.541 24.584 -9.548 937 HG LEU 125 HG LEU 125 2.121 24.116 -8.997 938 HD11 LEU 125 HD11 LEU 125 3.214 22.635 -6.590 939 HD12 LEU 125 HD12 LEU 125 2.329 21.916 -7.937 940 HD13 LEU 125 HD13 LEU 125 1.524 23.064 -6.869 941 HD21 LEU 125 HD21 LEU 125 2.074 25.506 -6.968 942 HD22 LEU 125 HD22 LEU 125 3.249 26.117 -8.130 943 HD23 LEU 125 HD23 LEU 125 3.797 25.214 -6.714 944 H GLU 126 H GLU 126 4.677 24.233 -11.888 945 HA GLU 126 HA GLU 126 6.771 23.039 -13.367 946 HB2 GLU 126 HB2 GLU 126 7.015 25.245 -14.456 947 HB3 GLU 126 HB3 GLU 126 5.323 24.778 -14.308 948 HG2 GLU 126 HG2 GLU 126 5.202 26.260 -12.242 949 HG3 GLU 126 HG3 GLU 126 6.815 26.841 -12.652 950 H HIS 127 H HIS 127 6.842 24.930 -10.432 951 HA HIS 127 HA HIS 127 9.553 25.766 -10.404 952 HB2 HIS 127 HB2 HIS 127 7.719 26.652 -8.898 953 HB3 HIS 127 HB3 HIS 127 7.774 25.137 -8.003 954 HD1 HIS 127 HD1 HIS 127 9.510 28.386 -8.417 955 HD2 HIS 127 HD2 HIS 127 10.131 24.821 -6.373 956 HE1 HIS 127 HE1 HIS 127 11.312 28.879 -6.749 957 HE2 HIS 127 HE2 HIS 127 11.570 26.753 -5.431 958 H HIS 128 H HIS 128 11.125 24.267 -10.757 959 HA HIS 128 HA HIS 128 11.065 21.598 -9.569 960 HB2 HIS 128 HB2 HIS 128 13.164 22.933 -11.341 961 HB3 HIS 128 HB3 HIS 128 13.150 21.230 -10.880 962 HD1 HIS 128 HD1 HIS 128 12.230 23.311 -13.622 963 HD2 HIS 128 HD2 HIS 128 10.497 20.012 -11.778 964 HE1 HIS 128 HE1 HIS 128 10.633 22.360 -15.305 965 HE2 HIS 128 HE2 HIS 128 9.723 20.282 -14.226 966 H HIS 129 H HIS 129 11.742 21.301 -7.538 967 HA HIS 129 HA HIS 129 13.289 23.125 -6.005 968 HB2 HIS 129 HB2 HIS 129 13.367 21.236 -4.306 969 HB3 HIS 129 HB3 HIS 129 11.760 21.709 -4.835 970 HD1 HIS 129 HD1 HIS 129 10.372 19.990 -6.136 971 HD2 HIS 129 HD2 HIS 129 14.147 18.605 -5.083 972 HE1 HIS 129 HE1 HIS 129 10.320 17.521 -6.561 973 HE2 HIS 129 HE2 HIS 129 12.513 16.685 -5.674 974 H HIS 130 H HIS 130 14.210 20.344 -7.936 975 HA HIS 130 HA HIS 130 16.999 21.152 -7.914 976 HB2 HIS 130 HB2 HIS 130 16.755 19.562 -5.913 977 HB3 HIS 130 HB3 HIS 130 16.340 18.288 -7.050 978 HD1 HIS 130 HD1 HIS 130 18.354 17.974 -9.001 979 HD2 HIS 130 HD2 HIS 130 19.412 19.594 -5.329 980 HE1 HIS 130 HE1 HIS 130 20.839 17.713 -8.852 981 HE2 HIS 130 HE2 HIS 130 21.470 18.897 -6.729 982 H HIS 131 H HIS 131 17.430 21.193 -10.043 983 HA HIS 131 HA HIS 131 15.966 19.637 -12.004 984 HB2 HIS 131 HB2 HIS 131 17.193 20.905 -13.680 985 HB3 HIS 131 HB3 HIS 131 16.678 22.006 -12.413 986 HD1 HIS 131 HD1 HIS 131 19.722 20.625 -14.057 987 HD2 HIS 131 HD2 HIS 131 18.811 23.058 -10.813 988 HE1 HIS 131 HE1 HIS 131 21.879 21.741 -13.428 989 HE2 HIS 131 HE2 HIS 131 21.315 23.177 -11.443 990 H HIS 132 H HIS 132 17.384 18.668 -13.914 991 HA HIS 132 HA HIS 132 18.875 16.440 -12.973 992 HB2 HIS 132 HB2 HIS 132 17.584 16.435 -15.095 993 HB3 HIS 132 HB3 HIS 132 18.712 17.585 -15.802 994 HD1 HIS 132 HD1 HIS 132 21.194 16.657 -16.215 995 HD2 HIS 132 HD2 HIS 132 18.330 13.778 -15.323 996 HE1 HIS 132 HE1 HIS 132 22.216 14.470 -16.888 997 HE2 HIS 132 HE2 HIS 132 20.477 12.741 -16.332 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -4.139 15.657 -1.786 2 H2 MET 1 H2 MET 1 -5.233 14.372 -1.891 3 H3 MET 1 H3 MET 1 -5.798 15.969 -1.892 4 HA MET 1 HA MET 1 -4.708 16.396 -3.982 5 HB2 MET 1 HB2 MET 1 -4.004 13.425 -3.886 6 HB3 MET 1 HB3 MET 1 -3.768 14.472 -5.281 7 HG2 MET 1 HG2 MET 1 -2.393 14.794 -2.603 8 HG3 MET 1 HG3 MET 1 -1.681 14.077 -4.052 9 HE1 MET 1 HE1 MET 1 -0.317 16.502 -2.422 10 HE2 MET 1 HE2 MET 1 0.218 17.511 -3.768 11 HE3 MET 1 HE3 MET 1 0.389 15.758 -3.858 12 H LYS 2 H LYS 2 -6.463 16.733 -5.228 13 HA LYS 2 HA LYS 2 -8.808 15.092 -5.165 14 HB2 LYS 2 HB2 LYS 2 -9.739 16.642 -6.797 15 HB3 LYS 2 HB3 LYS 2 -8.856 17.557 -5.580 16 HG2 LYS 2 HG2 LYS 2 -6.924 17.697 -7.198 17 HG3 LYS 2 HG3 LYS 2 -7.953 16.935 -8.407 18 HD2 LYS 2 HD2 LYS 2 -8.170 19.212 -8.929 19 HD3 LYS 2 HD3 LYS 2 -9.602 18.919 -7.947 20 HE2 LYS 2 HE2 LYS 2 -7.013 20.133 -6.907 21 HE3 LYS 2 HE3 LYS 2 -8.422 21.063 -7.405 22 HZ1 LYS 2 HZ1 LYS 2 -8.340 20.807 -5.022 23 HZ2 LYS 2 HZ2 LYS 2 -8.318 19.127 -5.158 24 HZ3 LYS 2 HZ3 LYS 2 -9.686 19.994 -5.640 25 H VAL 3 H VAL 3 -9.660 13.712 -6.805 26 HA VAL 3 HA VAL 3 -7.742 12.159 -8.227 27 HB VAL 3 HB VAL 3 -10.788 12.108 -8.404 28 HG11 VAL 3 HG11 VAL 3 -10.528 9.848 -9.418 29 HG12 VAL 3 HG12 VAL 3 -8.780 10.085 -9.482 30 HG13 VAL 3 HG13 VAL 3 -9.844 11.109 -10.445 31 HG21 VAL 3 HG21 VAL 3 -9.914 11.558 -6.156 32 HG22 VAL 3 HG22 VAL 3 -8.849 10.334 -6.853 33 HG23 VAL 3 HG23 VAL 3 -10.601 10.123 -6.924 34 H GLY 4 H GLY 4 -7.128 12.161 -10.294 35 HA2 GLY 4 HA2 GLY 4 -7.183 12.719 -12.619 36 HA3 GLY 4 HA3 GLY 4 -8.206 14.095 -12.252 37 H SER 5 H SER 5 -5.912 14.287 -9.924 38 HA SER 5 HA SER 5 -4.547 16.495 -11.074 39 HB2 SER 5 HB2 SER 5 -3.932 14.903 -8.548 40 HB3 SER 5 HB3 SER 5 -3.109 16.401 -8.991 41 HG SER 5 HG SER 5 -5.386 16.130 -7.701 42 H GLN 6 H GLN 6 -2.659 16.674 -12.166 43 HA GLN 6 HA GLN 6 -0.890 14.394 -12.625 44 HB2 GLN 6 HB2 GLN 6 -0.634 17.320 -13.468 45 HB3 GLN 6 HB3 GLN 6 0.450 16.023 -13.972 46 HG2 GLN 6 HG2 GLN 6 -2.504 16.248 -14.645 47 HG3 GLN 6 HG3 GLN 6 -1.155 16.583 -15.723 48 HE21 GLN 6 HE21 GLN 6 -3.013 14.075 -14.184 49 HE22 GLN 6 HE22 GLN 6 -2.367 12.767 -15.104 50 H VAL 7 H VAL 7 0.554 13.859 -11.126 51 HA VAL 7 HA VAL 7 1.776 15.911 -9.358 52 HB VAL 7 HB VAL 7 1.806 14.245 -7.494 53 HG11 VAL 7 HG11 VAL 7 -0.583 14.394 -6.873 54 HG12 VAL 7 HG12 VAL 7 -0.996 14.832 -8.532 55 HG13 VAL 7 HG13 VAL 7 -0.001 15.914 -7.555 56 HG21 VAL 7 HG21 VAL 7 1.709 12.150 -8.793 57 HG22 VAL 7 HG22 VAL 7 0.062 12.522 -9.306 58 HG23 VAL 7 HG23 VAL 7 0.403 12.196 -7.605 59 H ILE 8 H ILE 8 3.805 15.014 -8.248 60 HA ILE 8 HA ILE 8 5.261 12.977 -9.814 61 HB ILE 8 HB ILE 8 6.415 15.643 -8.842 62 HG12 ILE 8 HG12 ILE 8 6.027 14.376 -11.585 63 HG13 ILE 8 HG13 ILE 8 5.409 15.915 -11.010 64 HG21 ILE 8 HG21 ILE 8 7.992 13.278 -9.941 65 HG22 ILE 8 HG22 ILE 8 8.046 13.875 -8.279 66 HG23 ILE 8 HG23 ILE 8 8.643 14.883 -9.598 67 HD11 ILE 8 HD11 ILE 8 7.137 16.226 -12.652 68 HD12 ILE 8 HD12 ILE 8 8.274 15.270 -11.707 69 HD13 ILE 8 HD13 ILE 8 7.703 16.825 -11.091 70 H ILE 9 H ILE 9 6.367 11.507 -8.632 71 HA ILE 9 HA ILE 9 5.578 11.244 -5.835 72 HB ILE 9 HB ILE 9 6.952 9.254 -7.706 73 HG12 ILE 9 HG12 ILE 9 4.003 9.480 -6.913 74 HG13 ILE 9 HG13 ILE 9 4.668 9.924 -8.479 75 HG21 ILE 9 HG21 ILE 9 6.294 7.517 -6.061 76 HG22 ILE 9 HG22 ILE 9 5.668 8.769 -4.984 77 HG23 ILE 9 HG23 ILE 9 7.393 8.698 -5.348 78 HD11 ILE 9 HD11 ILE 9 4.580 7.144 -7.312 79 HD12 ILE 9 HD12 ILE 9 5.252 7.581 -8.887 80 HD13 ILE 9 HD13 ILE 9 3.531 7.795 -8.570 81 H ASN 10 H ASN 10 6.924 12.101 -4.331 82 HA ASN 10 HA ASN 10 9.752 12.602 -4.951 83 HB2 ASN 10 HB2 ASN 10 9.679 14.024 -2.863 84 HB3 ASN 10 HB3 ASN 10 8.574 14.531 -4.129 85 HD21 ASN 10 HD21 ASN 10 6.349 14.295 -3.800 86 HD22 ASN 10 HD22 ASN 10 5.679 14.014 -2.232 87 H THR 11 H THR 11 7.824 11.116 -2.345 88 HA THR 11 HA THR 11 10.146 9.518 -1.430 89 HB THR 11 HB THR 11 7.396 9.808 -0.109 90 HG1 THR 11 HG1 THR 11 8.268 11.781 0.152 91 HG21 THR 11 HG21 THR 11 8.590 7.743 0.549 92 HG22 THR 11 HG22 THR 11 8.510 8.883 1.893 93 HG23 THR 11 HG23 THR 11 10.012 8.702 0.989 94 H SER 12 H SER 12 9.966 7.190 -1.476 95 HA SER 12 HA SER 12 7.642 5.948 -2.694 96 HB2 SER 12 HB2 SER 12 8.617 6.881 -4.709 97 HB3 SER 12 HB3 SER 12 10.224 6.295 -4.287 98 HG SER 12 HG SER 12 9.490 4.827 -5.669 99 H HIS 13 H HIS 13 7.702 3.739 -2.871 100 HA HIS 13 HA HIS 13 9.398 2.275 -1.015 101 HB2 HIS 13 HB2 HIS 13 7.323 1.041 -2.878 102 HB3 HIS 13 HB3 HIS 13 7.852 0.465 -1.303 103 HD2 HIS 13 HD2 HIS 13 7.205 3.406 0.275 104 HE1 HIS 13 HE1 HIS 13 3.287 2.542 -1.040 105 HE2 HIS 13 HE2 HIS 13 4.721 4.093 0.333 106 H MET 14 H MET 14 8.751 2.452 -4.490 107 HA MET 14 HA MET 14 10.807 0.488 -5.215 108 HB2 MET 14 HB2 MET 14 9.052 2.116 -7.114 109 HB3 MET 14 HB3 MET 14 9.900 0.610 -7.458 110 HG2 MET 14 HG2 MET 14 7.481 0.964 -5.668 111 HG3 MET 14 HG3 MET 14 7.519 0.201 -7.260 112 HE1 MET 14 HE1 MET 14 6.247 -1.918 -6.211 113 HE2 MET 14 HE2 MET 14 6.258 -1.191 -4.601 114 HE3 MET 14 HE3 MET 14 6.857 -2.834 -4.832 115 H LYS 15 H LYS 15 12.867 1.127 -5.893 116 HA LYS 15 HA LYS 15 13.683 3.844 -5.627 117 HB2 LYS 15 HB2 LYS 15 15.928 3.049 -6.274 118 HB3 LYS 15 HB3 LYS 15 15.189 2.025 -5.062 119 HG2 LYS 15 HG2 LYS 15 16.086 0.401 -6.417 120 HG3 LYS 15 HG3 LYS 15 14.490 0.545 -7.147 121 HD2 LYS 15 HD2 LYS 15 16.200 0.437 -8.892 122 HD3 LYS 15 HD3 LYS 15 15.436 2.027 -8.910 123 HE2 LYS 15 HE2 LYS 15 17.856 2.244 -9.202 124 HE3 LYS 15 HE3 LYS 15 17.373 2.955 -7.662 125 HZ1 LYS 15 HZ1 LYS 15 18.142 0.990 -6.526 126 HZ2 LYS 15 HZ2 LYS 15 19.388 1.592 -7.494 127 HZ3 LYS 15 HZ3 LYS 15 18.517 0.232 -7.988 128 H GLY 16 H GLY 16 12.425 2.129 -8.340 129 HA2 GLY 16 HA2 GLY 16 13.357 4.062 -10.343 130 HA3 GLY 16 HA3 GLY 16 12.341 2.659 -10.627 131 H MET 17 H MET 17 10.788 3.966 -8.127 132 HA MET 17 HA MET 17 8.804 5.262 -9.860 133 HB2 MET 17 HB2 MET 17 8.022 3.508 -8.316 134 HB3 MET 17 HB3 MET 17 8.620 4.408 -6.942 135 HG2 MET 17 HG2 MET 17 6.953 6.100 -7.211 136 HG3 MET 17 HG3 MET 17 6.496 5.490 -8.797 137 HE1 MET 17 HE1 MET 17 5.172 3.731 -4.742 138 HE2 MET 17 HE2 MET 17 5.901 5.318 -4.983 139 HE3 MET 17 HE3 MET 17 6.892 3.863 -5.108 140 H LYS 18 H LYS 18 11.189 6.151 -7.458 141 HA LYS 18 HA LYS 18 10.103 8.692 -6.758 142 HB2 LYS 18 HB2 LYS 18 12.381 9.260 -5.909 143 HB3 LYS 18 HB3 LYS 18 11.738 7.758 -5.283 144 HG2 LYS 18 HG2 LYS 18 14.027 7.346 -5.636 145 HG3 LYS 18 HG3 LYS 18 13.207 6.541 -6.968 146 HD2 LYS 18 HD2 LYS 18 15.319 7.704 -7.647 147 HD3 LYS 18 HD3 LYS 18 13.902 8.280 -8.520 148 HE2 LYS 18 HE2 LYS 18 15.336 10.160 -7.896 149 HE3 LYS 18 HE3 LYS 18 13.804 10.262 -7.036 150 HZ1 LYS 18 HZ1 LYS 18 15.678 10.762 -5.600 151 HZ2 LYS 18 HZ2 LYS 18 16.346 9.236 -5.892 152 HZ3 LYS 18 HZ3 LYS 18 14.873 9.372 -5.073 153 H GLY 19 H GLY 19 10.428 10.709 -7.574 154 HA2 GLY 19 HA2 GLY 19 11.113 12.415 -8.999 155 HA3 GLY 19 HA3 GLY 19 12.227 11.295 -9.766 156 H ALA 20 H ALA 20 9.428 9.635 -9.918 157 HA ALA 20 HA ALA 20 8.994 10.230 -12.714 158 HB1 ALA 20 HB1 ALA 20 7.440 8.326 -12.656 159 HB2 ALA 20 HB2 ALA 20 7.590 8.241 -10.897 160 HB3 ALA 20 HB3 ALA 20 8.989 7.902 -11.919 161 H GLU 21 H GLU 21 7.024 10.875 -13.657 162 HA GLU 21 HA GLU 21 5.348 12.592 -11.938 163 HB2 GLU 21 HB2 GLU 21 4.604 13.627 -14.137 164 HB3 GLU 21 HB3 GLU 21 6.281 13.886 -13.688 165 HG2 GLU 21 HG2 GLU 21 6.979 12.156 -15.296 166 HG3 GLU 21 HG3 GLU 21 5.301 11.889 -15.735 167 H ALA 22 H ALA 22 3.562 11.714 -11.227 168 HA ALA 22 HA ALA 22 2.295 9.433 -12.603 169 HB1 ALA 22 HB1 ALA 22 3.105 9.053 -10.314 170 HB2 ALA 22 HB2 ALA 22 1.350 8.889 -10.397 171 HB3 ALA 22 HB3 ALA 22 2.071 10.353 -9.721 172 H THR 23 H THR 23 -0.096 9.194 -12.225 173 HA THR 23 HA THR 23 -1.628 11.746 -12.179 174 HB THR 23 HB THR 23 -2.299 9.227 -13.792 175 HG1 THR 23 HG1 THR 23 -0.600 10.468 -14.727 176 HG21 THR 23 HG21 THR 23 -4.133 10.578 -14.774 177 HG22 THR 23 HG22 THR 23 -3.738 11.916 -13.693 178 HG23 THR 23 HG23 THR 23 -4.346 10.396 -13.030 179 H VAL 24 H VAL 24 -3.002 11.839 -10.471 180 HA VAL 24 HA VAL 24 -3.535 9.625 -8.716 181 HB VAL 24 HB VAL 24 -4.874 12.377 -8.795 182 HG11 VAL 24 HG11 VAL 24 -5.522 11.943 -6.440 183 HG12 VAL 24 HG12 VAL 24 -4.845 10.316 -6.547 184 HG13 VAL 24 HG13 VAL 24 -6.242 10.758 -7.531 185 HG21 VAL 24 HG21 VAL 24 -2.509 11.432 -7.117 186 HG22 VAL 24 HG22 VAL 24 -3.296 13.007 -6.989 187 HG23 VAL 24 HG23 VAL 24 -2.436 12.572 -8.466 188 H THR 25 H THR 25 -5.055 8.088 -9.038 189 HA THR 25 HA THR 25 -7.539 8.690 -10.540 190 HB THR 25 HB THR 25 -7.509 6.293 -11.361 191 HG1 THR 25 HG1 THR 25 -4.811 5.948 -11.130 192 HG21 THR 25 HG21 THR 25 -6.815 8.110 -12.859 193 HG22 THR 25 HG22 THR 25 -5.830 6.675 -13.142 194 HG23 THR 25 HG23 THR 25 -5.169 8.030 -12.227 195 H GLY 26 H GLY 26 -6.287 7.624 -7.548 196 HA2 GLY 26 HA2 GLY 26 -9.026 7.127 -6.627 197 HA3 GLY 26 HA3 GLY 26 -7.858 5.832 -6.379 198 H ALA 27 H ALA 27 -9.327 7.654 -4.446 199 HA ALA 27 HA ALA 27 -7.016 8.313 -2.734 200 HB1 ALA 27 HB1 ALA 27 -9.267 10.279 -3.318 201 HB2 ALA 27 HB2 ALA 27 -7.605 10.412 -3.893 202 HB3 ALA 27 HB3 ALA 27 -7.949 10.526 -2.166 203 H TYR 28 H TYR 28 -7.334 7.497 -0.723 204 HA TYR 28 HA TYR 28 -10.071 6.935 0.280 205 HB2 TYR 28 HB2 TYR 28 -7.733 4.985 0.117 206 HB3 TYR 28 HB3 TYR 28 -9.114 4.708 1.168 207 HD1 TYR 28 HD1 TYR 28 -8.058 4.971 -2.401 208 HD2 TYR 28 HD2 TYR 28 -11.196 3.849 0.279 209 HE1 TYR 28 HE1 TYR 28 -9.262 3.883 -4.255 210 HE2 TYR 28 HE2 TYR 28 -12.389 2.765 -1.572 211 HH TYR 28 HH TYR 28 -10.953 2.237 -4.659 212 H ASP 29 H ASP 29 -10.383 7.605 2.325 213 HA ASP 29 HA ASP 29 -8.090 7.935 4.188 214 HB2 ASP 29 HB2 ASP 29 -10.896 9.131 4.238 215 HB3 ASP 29 HB3 ASP 29 -9.795 9.223 5.611 216 H THR 30 H THR 30 -7.849 5.772 4.704 217 HA THR 30 HA THR 30 -9.949 4.508 6.375 218 HB THR 30 HB THR 30 -10.161 3.483 4.145 219 HG1 THR 30 HG1 THR 30 -10.541 1.753 5.290 220 HG21 THR 30 HG21 THR 30 -7.224 2.739 4.387 221 HG22 THR 30 HG22 THR 30 -7.908 3.909 3.255 222 HG23 THR 30 HG23 THR 30 -8.318 2.199 3.113 223 H THR 31 H THR 31 -8.986 2.538 7.583 224 HA THR 31 HA THR 31 -6.579 3.344 8.962 225 HB THR 31 HB THR 31 -7.891 0.606 9.303 226 HG1 THR 31 HG1 THR 31 -9.599 1.533 10.121 227 HG21 THR 31 HG21 THR 31 -5.756 0.997 10.514 228 HG22 THR 31 HG22 THR 31 -7.105 0.856 11.641 229 HG23 THR 31 HG23 THR 31 -6.443 2.446 11.260 230 H ALA 32 H ALA 32 -4.651 3.046 8.011 231 HA ALA 32 HA ALA 32 -4.173 0.811 6.145 232 HB1 ALA 32 HB1 ALA 32 -2.603 3.390 6.509 233 HB2 ALA 32 HB2 ALA 32 -3.758 3.055 5.219 234 HB3 ALA 32 HB3 ALA 32 -2.262 2.125 5.322 235 H TYR 33 H TYR 33 -3.235 -0.895 7.097 236 HA TYR 33 HA TYR 33 -1.953 -0.636 9.712 237 HB2 TYR 33 HB2 TYR 33 -2.766 -3.127 8.144 238 HB3 TYR 33 HB3 TYR 33 -2.121 -3.135 9.780 239 HD1 TYR 33 HD1 TYR 33 -3.490 -2.196 11.668 240 HD2 TYR 33 HD2 TYR 33 -5.113 -2.599 7.737 241 HE1 TYR 33 HE1 TYR 33 -5.760 -1.959 12.575 242 HE2 TYR 33 HE2 TYR 33 -7.374 -2.368 8.659 243 HH TYR 33 HH TYR 33 -8.036 -1.207 11.694 244 H VAL 34 H VAL 34 0.070 -1.353 10.219 245 HA VAL 34 HA VAL 34 1.966 -2.170 8.105 246 HB VAL 34 HB VAL 34 2.505 -1.605 11.072 247 HG11 VAL 34 HG11 VAL 34 4.439 -1.823 8.732 248 HG12 VAL 34 HG12 VAL 34 4.219 -3.024 10.006 249 HG13 VAL 34 HG13 VAL 34 4.873 -1.436 10.400 250 HG21 VAL 34 HG21 VAL 34 1.651 0.427 9.984 251 HG22 VAL 34 HG22 VAL 34 2.866 0.276 8.711 252 HG23 VAL 34 HG23 VAL 34 3.364 0.599 10.373 253 H VAL 35 H VAL 35 2.232 -4.381 7.830 254 HA VAL 35 HA VAL 35 1.541 -6.188 10.094 255 HB VAL 35 HB VAL 35 0.607 -7.839 8.430 256 HG11 VAL 35 HG11 VAL 35 -0.918 -6.427 9.756 257 HG12 VAL 35 HG12 VAL 35 -1.584 -6.720 8.149 258 HG13 VAL 35 HG13 VAL 35 -0.846 -5.160 8.525 259 HG21 VAL 35 HG21 VAL 35 1.705 -7.014 6.375 260 HG22 VAL 35 HG22 VAL 35 0.772 -5.519 6.456 261 HG23 VAL 35 HG23 VAL 35 -0.047 -7.055 6.164 262 H SER 36 H SER 36 2.685 -8.046 10.362 263 HA SER 36 HA SER 36 4.978 -8.629 8.570 264 HB2 SER 36 HB2 SER 36 6.029 -9.737 10.549 265 HB3 SER 36 HB3 SER 36 5.713 -8.030 10.852 266 HG SER 36 HG SER 36 4.809 -8.827 12.596 267 H TYR 37 H TYR 37 4.870 -10.547 7.489 268 HA TYR 37 HA TYR 37 3.254 -12.787 8.426 269 HB2 TYR 37 HB2 TYR 37 1.804 -12.895 6.414 270 HB3 TYR 37 HB3 TYR 37 1.519 -11.416 7.320 271 HD1 TYR 37 HD2 TYR 37 2.320 -9.215 6.410 272 HD2 TYR 37 HD1 TYR 37 2.658 -12.805 4.109 273 HE1 TYR 37 HE2 TYR 37 2.688 -7.887 4.386 274 HE2 TYR 37 HE1 TYR 37 3.035 -11.467 2.085 275 HH TYR 37 HH TYR 37 3.704 -8.113 2.200 276 H THR 38 H THR 38 3.546 -14.710 7.143 277 HA THR 38 HA THR 38 6.025 -14.695 5.507 278 HB THR 38 HB THR 38 4.957 -17.091 7.069 279 HG1 THR 38 HG1 THR 38 5.591 -15.519 8.555 280 HG21 THR 38 HG21 THR 38 7.678 -16.561 5.798 281 HG22 THR 38 HG22 THR 38 6.443 -17.650 5.160 282 HG23 THR 38 HG23 THR 38 7.227 -18.009 6.701 283 HA PRO 39 HA PRO 39 2.975 -15.655 2.198 284 HB2 PRO 39 HB2 PRO 39 5.033 -16.162 0.302 285 HB3 PRO 39 HB3 PRO 39 4.201 -14.626 0.557 286 HG2 PRO 39 HG2 PRO 39 6.847 -15.570 1.609 287 HG3 PRO 39 HG3 PRO 39 6.358 -13.944 1.088 288 HD2 PRO 39 HD2 PRO 39 6.598 -14.560 3.691 289 HD3 PRO 39 HD3 PRO 39 5.313 -13.472 3.135 290 H THR 40 H THR 40 1.977 -17.552 2.140 291 HA THR 40 HA THR 40 3.007 -19.967 3.208 292 HB THR 40 HB THR 40 0.806 -20.958 2.509 293 HG1 THR 40 HG1 THR 40 -0.469 -18.777 1.703 294 HG21 THR 40 HG21 THR 40 0.568 -18.215 3.804 295 HG22 THR 40 HG22 THR 40 0.953 -19.717 4.648 296 HG23 THR 40 HG23 THR 40 -0.628 -19.511 3.892 297 H ASN 41 H ASN 41 3.043 -18.787 -0.065 298 HA ASN 41 HA ASN 41 3.337 -21.219 -1.487 299 HB2 ASN 41 HB2 ASN 41 2.780 -19.005 -2.504 300 HB3 ASN 41 HB3 ASN 41 4.406 -18.440 -2.166 301 HD21 ASN 41 HD21 ASN 41 6.096 -19.144 -3.486 302 HD22 ASN 41 HD22 ASN 41 5.828 -19.994 -4.962 303 H GLY 42 H GLY 42 5.420 -19.919 0.832 304 HA2 GLY 42 HA2 GLY 42 7.458 -20.805 1.567 305 HA3 GLY 42 HA3 GLY 42 7.697 -21.579 0.007 306 H GLY 43 H GLY 43 7.150 -18.195 1.045 307 HA2 GLY 43 HA2 GLY 43 9.477 -17.312 -0.571 308 HA3 GLY 43 HA3 GLY 43 8.124 -16.313 -0.068 309 H GLN 44 H GLN 44 9.517 -14.746 0.758 310 HA GLN 44 HA GLN 44 11.020 -15.407 3.244 311 HB2 GLN 44 HB2 GLN 44 12.181 -13.203 2.902 312 HB3 GLN 44 HB3 GLN 44 12.464 -14.342 1.592 313 HG2 GLN 44 HG2 GLN 44 10.828 -13.152 0.189 314 HG3 GLN 44 HG3 GLN 44 10.508 -12.020 1.501 315 HE21 GLN 44 HE21 GLN 44 11.143 -10.250 0.233 316 HE22 GLN 44 HE22 GLN 44 12.793 -9.936 -0.156 317 H ARG 45 H ARG 45 10.313 -14.571 5.178 318 HA ARG 45 HA ARG 45 7.738 -13.523 5.508 319 HB2 ARG 45 HB2 ARG 45 8.984 -14.672 7.329 320 HB3 ARG 45 HB3 ARG 45 10.090 -13.303 7.445 321 HG2 ARG 45 HG2 ARG 45 7.962 -11.882 7.960 322 HG3 ARG 45 HG3 ARG 45 7.162 -13.432 8.238 323 HD2 ARG 45 HD2 ARG 45 7.961 -12.472 10.346 324 HD3 ARG 45 HD3 ARG 45 8.844 -13.965 9.988 325 HE ARG 45 HE ARG 45 10.107 -11.504 9.088 326 HH11 ARG 45 HH11 ARG 45 9.963 -13.798 11.677 327 HH12 ARG 45 HH12 ARG 45 11.487 -13.301 12.317 328 HH21 ARG 45 HH21 ARG 45 12.002 -10.896 9.917 329 HH22 ARG 45 HH22 ARG 45 12.640 -11.681 11.321 330 H VAL 46 H VAL 46 6.976 -11.562 5.089 331 HA VAL 46 HA VAL 46 8.713 -9.313 4.496 332 HB VAL 46 HB VAL 46 5.666 -9.473 4.396 333 HG11 VAL 46 HG11 VAL 46 7.574 -7.500 3.066 334 HG12 VAL 46 HG12 VAL 46 6.481 -7.150 4.409 335 HG13 VAL 46 HG13 VAL 46 5.824 -7.564 2.826 336 HG21 VAL 46 HG21 VAL 46 7.665 -9.978 2.154 337 HG22 VAL 46 HG22 VAL 46 5.906 -9.964 2.000 338 HG23 VAL 46 HG23 VAL 46 6.692 -11.209 2.967 339 H ASP 47 H ASP 47 9.410 -8.076 6.100 340 HA ASP 47 HA ASP 47 7.901 -7.755 8.613 341 HB2 ASP 47 HB2 ASP 47 10.797 -7.153 7.874 342 HB3 ASP 47 HB3 ASP 47 10.090 -6.749 9.439 343 H HIS 48 H HIS 48 6.968 -5.870 9.182 344 HA HIS 48 HA HIS 48 5.986 -3.841 9.004 345 HB2 HIS 48 HB2 HIS 48 8.862 -3.098 8.359 346 HB3 HIS 48 HB3 HIS 48 7.607 -1.886 8.555 347 HD1 HIS 48 HD1 HIS 48 8.630 -0.830 10.640 348 HD2 HIS 48 HD2 HIS 48 7.870 -4.889 11.075 349 HE1 HIS 48 HE1 HIS 48 8.917 -1.314 13.085 350 HE2 HIS 48 HE2 HIS 48 8.224 -3.710 13.340 351 H HIS 49 H HIS 49 5.024 -5.086 7.001 352 HA HIS 49 HA HIS 49 5.585 -4.078 4.380 353 HB2 HIS 49 HB2 HIS 49 4.591 -6.333 4.781 354 HB3 HIS 49 HB3 HIS 49 3.110 -5.577 5.362 355 HD2 HIS 49 HD2 HIS 49 1.367 -4.710 3.384 356 HE1 HIS 49 HE1 HIS 49 3.746 -5.946 0.118 357 HE2 HIS 49 HE2 HIS 49 1.553 -4.891 0.804 358 H LYS 50 H LYS 50 4.931 -2.216 3.477 359 HA LYS 50 HA LYS 50 2.371 -0.962 4.238 360 HB2 LYS 50 HB2 LYS 50 5.058 0.418 3.768 361 HB3 LYS 50 HB3 LYS 50 3.526 1.282 3.701 362 HG2 LYS 50 HG2 LYS 50 3.095 0.776 6.063 363 HG3 LYS 50 HG3 LYS 50 4.590 -0.165 6.161 364 HD2 LYS 50 HD2 LYS 50 5.906 1.873 5.656 365 HD3 LYS 50 HD3 LYS 50 4.420 2.816 5.521 366 HE2 LYS 50 HE2 LYS 50 5.260 1.388 8.070 367 HE3 LYS 50 HE3 LYS 50 5.678 3.063 7.711 368 HZ1 LYS 50 HZ1 LYS 50 3.689 2.795 9.118 369 HZ2 LYS 50 HZ2 LYS 50 2.889 2.049 7.827 370 HZ3 LYS 50 HZ3 LYS 50 3.396 3.658 7.698 371 H TRP 51 H TRP 51 1.723 -0.318 0.754 372 HA TRP 51 HA TRP 51 0.921 -0.279 3.610 373 HB2 TRP 51 HB2 TRP 51 -0.231 1.294 1.259 374 HB3 TRP 51 HB3 TRP 51 -0.820 1.370 2.917 375 HD1 TRP 51 HD1 TRP 51 2.030 2.634 0.693 376 HE1 TRP 51 HE1 TRP 51 3.326 4.459 1.947 377 HE3 TRP 51 HE3 TRP 51 -0.142 2.138 5.300 378 HZ2 TRP 51 HZ2 TRP 51 3.438 5.533 4.545 379 HZ3 TRP 51 HZ3 TRP 51 0.619 3.615 7.119 380 HH2 TRP 51 HH2 TRP 51 2.373 5.278 6.744 381 H VAL 52 H VAL 52 -0.642 -1.591 4.266 382 HA VAL 52 HA VAL 52 -2.577 -2.768 2.331 383 HB VAL 52 HB VAL 52 -3.156 -4.476 4.106 384 HG11 VAL 52 HG11 VAL 52 -1.226 -5.959 3.695 385 HG12 VAL 52 HG12 VAL 52 -0.286 -4.581 3.122 386 HG13 VAL 52 HG13 VAL 52 -1.713 -5.104 2.228 387 HG21 VAL 52 HG21 VAL 52 -1.589 -4.912 5.966 388 HG22 VAL 52 HG22 VAL 52 -2.287 -3.298 6.099 389 HG23 VAL 52 HG23 VAL 52 -0.636 -3.496 5.511 390 H ILE 53 H ILE 53 -4.791 -2.509 2.771 391 HA ILE 53 HA ILE 53 -5.393 -0.405 4.795 392 HB ILE 53 HB ILE 53 -7.258 0.333 3.423 393 HG12 ILE 53 HG12 ILE 53 -6.505 -1.869 1.438 394 HG13 ILE 53 HG13 ILE 53 -7.944 -1.859 2.449 395 HG21 ILE 53 HG21 ILE 53 -5.045 1.301 2.933 396 HG22 ILE 53 HG22 ILE 53 -6.025 1.224 1.469 397 HG23 ILE 53 HG23 ILE 53 -4.740 0.042 1.730 398 HD11 ILE 53 HD11 ILE 53 -8.738 0.141 1.245 399 HD12 ILE 53 HD12 ILE 53 -8.487 -1.252 0.193 400 HD13 ILE 53 HD13 ILE 53 -7.305 0.056 0.213 401 H GLN 54 H GLN 54 -7.522 -0.462 5.797 402 HA GLN 54 HA GLN 54 -8.118 -2.718 7.206 403 HB2 GLN 54 HB2 GLN 54 -8.827 -0.414 7.765 404 HB3 GLN 54 HB3 GLN 54 -10.027 -0.462 6.480 405 HG2 GLN 54 HG2 GLN 54 -11.266 -2.203 7.655 406 HG3 GLN 54 HG3 GLN 54 -10.022 -2.282 8.904 407 HE21 GLN 54 HE21 GLN 54 -11.475 -1.751 10.543 408 HE22 GLN 54 HE22 GLN 54 -12.150 -0.175 10.723 409 H GLU 55 H GLU 55 -9.767 -1.690 4.202 410 HA GLU 55 HA GLU 55 -11.814 -3.721 4.318 411 HB2 GLU 55 HB2 GLU 55 -11.006 -1.886 2.020 412 HB3 GLU 55 HB3 GLU 55 -12.544 -2.737 2.189 413 HG2 GLU 55 HG2 GLU 55 -13.187 -1.363 4.064 414 HG3 GLU 55 HG3 GLU 55 -11.583 -0.641 4.171 415 H GLU 56 H GLU 56 -8.590 -3.808 3.414 416 HA GLU 56 HA GLU 56 -8.764 -5.796 1.264 417 HB2 GLU 56 HB2 GLU 56 -7.211 -3.818 1.256 418 HB3 GLU 56 HB3 GLU 56 -6.377 -4.488 2.650 419 HG2 GLU 56 HG2 GLU 56 -5.529 -6.323 1.344 420 HG3 GLU 56 HG3 GLU 56 -6.558 -5.885 -0.025 421 H ILE 57 H ILE 57 -8.785 -5.773 4.622 422 HA ILE 57 HA ILE 57 -7.540 -8.436 4.985 423 HB ILE 57 HB ILE 57 -8.362 -6.350 7.070 424 HG12 ILE 57 HG12 ILE 57 -5.591 -7.195 6.071 425 HG13 ILE 57 HG13 ILE 57 -6.365 -5.638 5.797 426 HG21 ILE 57 HG21 ILE 57 -6.949 -9.016 7.502 427 HG22 ILE 57 HG22 ILE 57 -8.601 -8.627 7.983 428 HG23 ILE 57 HG23 ILE 57 -7.247 -7.797 8.743 429 HD11 ILE 57 HD11 ILE 57 -4.652 -5.457 7.480 430 HD12 ILE 57 HD12 ILE 57 -5.401 -6.728 8.444 431 HD13 ILE 57 HD13 ILE 57 -6.229 -5.183 8.221 432 H LYS 58 H LYS 58 -8.738 -10.146 5.788 433 HA LYS 58 HA LYS 58 -11.472 -10.382 5.156 434 HB2 LYS 58 HB2 LYS 58 -9.760 -12.241 5.209 435 HB3 LYS 58 HB3 LYS 58 -9.824 -12.201 6.970 436 HG2 LYS 58 HG2 LYS 58 -12.268 -12.784 6.837 437 HG3 LYS 58 HG3 LYS 58 -12.095 -12.924 5.083 438 HD2 LYS 58 HD2 LYS 58 -10.306 -14.700 5.522 439 HD3 LYS 58 HD3 LYS 58 -10.788 -14.649 7.221 440 HE2 LYS 58 HE2 LYS 58 -12.505 -15.459 4.849 441 HE3 LYS 58 HE3 LYS 58 -11.909 -16.507 6.136 442 HZ1 LYS 58 HZ1 LYS 58 -13.274 -15.163 7.696 443 HZ2 LYS 58 HZ2 LYS 58 -14.181 -16.008 6.553 444 HZ3 LYS 58 HZ3 LYS 58 -13.935 -14.345 6.372 445 H ASP 59 H ASP 59 -9.868 -10.112 8.322 446 HA ASP 59 HA ASP 59 -12.309 -10.593 9.821 447 HB2 ASP 59 HB2 ASP 59 -10.071 -11.496 10.508 448 HB3 ASP 59 HB3 ASP 59 -9.548 -9.855 10.868 449 H ALA 60 H ALA 60 -11.148 -7.808 8.366 450 HA ALA 60 HA ALA 60 -10.734 -5.743 9.936 451 HB1 ALA 60 HB1 ALA 60 -10.891 -5.656 7.485 452 HB2 ALA 60 HB2 ALA 60 -11.705 -4.282 8.235 453 HB3 ALA 60 HB3 ALA 60 -12.650 -5.631 7.595 454 H GLY 61 H GLY 61 -14.190 -6.478 9.124 455 HA2 GLY 61 HA2 GLY 61 -16.115 -6.323 10.374 456 HA3 GLY 61 HA3 GLY 61 -15.095 -6.276 11.798 457 H ASP 62 H ASP 62 -14.648 -3.780 9.446 458 HA ASP 62 HA ASP 62 -14.673 -1.537 9.552 459 HB2 ASP 62 HB2 ASP 62 -17.243 -1.908 11.151 460 HB3 ASP 62 HB3 ASP 62 -16.692 -0.368 10.494 461 H LYS 63 H LYS 63 -13.781 -3.273 12.099 462 HA LYS 63 HA LYS 63 -13.544 -1.096 14.084 463 HB2 LYS 63 HB2 LYS 63 -12.987 -2.879 15.708 464 HB3 LYS 63 HB3 LYS 63 -14.534 -3.190 14.928 465 HG2 LYS 63 HG2 LYS 63 -13.490 -4.864 13.467 466 HG3 LYS 63 HG3 LYS 63 -11.907 -4.523 14.172 467 HD2 LYS 63 HD2 LYS 63 -12.708 -5.353 16.362 468 HD3 LYS 63 HD3 LYS 63 -14.297 -5.687 15.666 469 HE2 LYS 63 HE2 LYS 63 -13.299 -7.371 14.165 470 HE3 LYS 63 HE3 LYS 63 -11.689 -6.994 14.783 471 HZ1 LYS 63 HZ1 LYS 63 -12.421 -7.749 16.977 472 HZ2 LYS 63 HZ2 LYS 63 -12.547 -8.976 15.819 473 HZ3 LYS 63 HZ3 LYS 63 -13.935 -8.165 16.343 474 H THR 64 H THR 64 -11.455 -0.915 15.246 475 HA THR 64 HA THR 64 -9.212 -0.881 13.365 476 HB THR 64 HB THR 64 -9.390 0.155 16.236 477 HG1 THR 64 HG1 THR 64 -10.475 1.174 14.165 478 HG21 THR 64 HG21 THR 64 -7.046 -0.384 15.687 479 HG22 THR 64 HG22 THR 64 -7.275 1.364 15.745 480 HG23 THR 64 HG23 THR 64 -7.167 0.542 14.186 481 H LEU 65 H LEU 65 -8.179 -2.786 13.129 482 HA LEU 65 HA LEU 65 -7.873 -4.791 15.167 483 HB2 LEU 65 HB2 LEU 65 -6.371 -4.466 12.535 484 HB3 LEU 65 HB3 LEU 65 -6.433 -5.925 13.514 485 HG LEU 65 HG LEU 65 -8.834 -4.665 12.107 486 HD11 LEU 65 HD11 LEU 65 -7.259 -5.576 10.477 487 HD12 LEU 65 HD12 LEU 65 -8.724 -6.550 10.540 488 HD13 LEU 65 HD13 LEU 65 -7.248 -7.129 11.319 489 HD21 LEU 65 HD21 LEU 65 -10.032 -6.746 12.678 490 HD22 LEU 65 HD22 LEU 65 -9.515 -5.887 14.125 491 HD23 LEU 65 HD23 LEU 65 -8.629 -7.317 13.588 492 H GLN 66 H GLN 66 -6.270 -4.918 16.696 493 HA GLN 66 HA GLN 66 -4.617 -2.486 16.955 494 HB2 GLN 66 HB2 GLN 66 -5.723 -4.427 19.027 495 HB3 GLN 66 HB3 GLN 66 -4.673 -3.066 19.427 496 HG2 GLN 66 HG2 GLN 66 -6.337 -1.479 18.602 497 HG3 GLN 66 HG3 GLN 66 -7.360 -2.799 18.037 498 HE21 GLN 66 HE21 GLN 66 -9.090 -2.057 19.289 499 HE22 GLN 66 HE22 GLN 66 -9.142 -2.249 21.000 500 HA PRO 67 HA PRO 67 -0.550 -4.363 16.633 501 HB2 PRO 67 HB2 PRO 67 -0.102 -2.996 19.305 502 HB3 PRO 67 HB3 PRO 67 0.960 -3.057 17.885 503 HG2 PRO 67 HG2 PRO 67 -0.506 -0.890 18.333 504 HG3 PRO 67 HG3 PRO 67 -0.362 -1.525 16.679 505 HD2 PRO 67 HD2 PRO 67 -2.678 -1.705 18.587 506 HD3 PRO 67 HD3 PRO 67 -2.680 -1.552 16.817 507 H GLY 68 H GLY 68 -0.288 -6.485 16.931 508 HA2 GLY 68 HA2 GLY 68 0.562 -8.254 18.385 509 HA3 GLY 68 HA3 GLY 68 -0.554 -7.724 19.630 510 H ASP 69 H ASP 69 -2.609 -7.450 17.226 511 HA ASP 69 HA ASP 69 -3.747 -10.099 17.501 512 HB2 ASP 69 HB2 ASP 69 -4.640 -7.708 15.836 513 HB3 ASP 69 HB3 ASP 69 -5.561 -9.204 15.978 514 H GLN 70 H GLN 70 -4.248 -11.569 15.774 515 HA GLN 70 HA GLN 70 -2.689 -11.258 13.269 516 HB2 GLN 70 HB2 GLN 70 -2.313 -13.729 13.254 517 HB3 GLN 70 HB3 GLN 70 -1.504 -12.910 14.583 518 HG2 GLN 70 HG2 GLN 70 -3.407 -13.647 16.075 519 HG3 GLN 70 HG3 GLN 70 -4.012 -14.609 14.729 520 HE21 GLN 70 HE21 GLN 70 -0.582 -14.208 15.522 521 HE22 GLN 70 HE22 GLN 70 -0.327 -15.837 16.022 522 H VAL 71 H VAL 71 -3.661 -11.931 11.395 523 HA VAL 71 HA VAL 71 -6.527 -12.599 11.367 524 HB VAL 71 HB VAL 71 -7.023 -10.611 9.864 525 HG11 VAL 71 HG11 VAL 71 -7.699 -10.533 12.232 526 HG12 VAL 71 HG12 VAL 71 -7.223 -8.928 11.675 527 HG13 VAL 71 HG13 VAL 71 -6.122 -9.877 12.678 528 HG21 VAL 71 HG21 VAL 71 -4.295 -9.605 10.791 529 HG22 VAL 71 HG22 VAL 71 -5.470 -8.670 9.860 530 HG23 VAL 71 HG23 VAL 71 -4.709 -10.092 9.144 531 H ILE 72 H ILE 72 -7.274 -12.501 8.888 532 HA ILE 72 HA ILE 72 -5.163 -13.702 7.161 533 HB ILE 72 HB ILE 72 -8.179 -14.196 7.147 534 HG12 ILE 72 HG12 ILE 72 -7.040 -15.352 9.009 535 HG13 ILE 72 HG13 ILE 72 -7.611 -16.519 7.823 536 HG21 ILE 72 HG21 ILE 72 -7.363 -14.277 4.838 537 HG22 ILE 72 HG22 ILE 72 -7.790 -15.896 5.390 538 HG23 ILE 72 HG23 ILE 72 -6.093 -15.416 5.297 539 HD11 ILE 72 HD11 ILE 72 -4.758 -15.572 8.143 540 HD12 ILE 72 HD12 ILE 72 -5.328 -16.748 6.954 541 HD13 ILE 72 HD13 ILE 72 -5.423 -17.116 8.674 542 H LEU 73 H LEU 73 -4.976 -12.992 5.026 543 HA LEU 73 HA LEU 73 -6.218 -10.410 4.322 544 HB2 LEU 73 HB2 LEU 73 -3.958 -11.944 2.961 545 HB3 LEU 73 HB3 LEU 73 -4.461 -10.301 2.577 546 HG LEU 73 HG LEU 73 -3.224 -11.190 5.224 547 HD11 LEU 73 HD11 LEU 73 -1.981 -9.561 2.981 548 HD12 LEU 73 HD12 LEU 73 -1.582 -11.228 3.399 549 HD13 LEU 73 HD13 LEU 73 -1.233 -9.932 4.539 550 HD21 LEU 73 HD21 LEU 73 -3.113 -8.786 5.779 551 HD22 LEU 73 HD22 LEU 73 -4.776 -9.322 5.570 552 HD23 LEU 73 HD23 LEU 73 -3.986 -8.393 4.293 553 H GLU 74 H GLU 74 -7.980 -10.353 2.980 554 HA GLU 74 HA GLU 74 -8.651 -12.593 1.215 555 HB2 GLU 74 HB2 GLU 74 -10.130 -10.101 2.054 556 HB3 GLU 74 HB3 GLU 74 -10.628 -10.919 0.579 557 HG2 GLU 74 HG2 GLU 74 -10.866 -13.042 1.940 558 HG3 GLU 74 HG3 GLU 74 -10.601 -12.060 3.385 559 H ALA 75 H ALA 75 -6.756 -9.822 0.877 560 HA ALA 75 HA ALA 75 -6.742 -10.224 -2.072 561 HB1 ALA 75 HB1 ALA 75 -6.069 -7.659 -0.587 562 HB2 ALA 75 HB2 ALA 75 -7.516 -7.947 -1.553 563 HB3 ALA 75 HB3 ALA 75 -5.929 -7.903 -2.329 564 H SER 76 H SER 76 -4.579 -9.600 -3.011 565 HA SER 76 HA SER 76 -2.246 -10.132 -1.321 566 HB2 SER 76 HB2 SER 76 -1.446 -11.916 -2.900 567 HB3 SER 76 HB3 SER 76 -2.913 -12.370 -2.056 568 HG SER 76 HG SER 76 -3.523 -11.129 -4.378 569 H HIS 77 H HIS 77 -0.756 -8.626 -1.853 570 HA HIS 77 HA HIS 77 -0.572 -7.364 -4.447 571 HB2 HIS 77 HB2 HIS 77 1.380 -7.294 -2.091 572 HB3 HIS 77 HB3 HIS 77 1.366 -6.187 -3.460 573 HD2 HIS 77 HD2 HIS 77 -2.214 -6.147 -2.753 574 HE1 HIS 77 HE1 HIS 77 -0.575 -3.567 0.176 575 HE2 HIS 77 HE2 HIS 77 -2.694 -4.389 -0.908 576 H MET 78 H MET 78 0.902 -10.060 -2.749 577 HA MET 78 HA MET 78 2.636 -10.708 -5.070 578 HB2 MET 78 HB2 MET 78 3.307 -11.108 -2.126 579 HB3 MET 78 HB3 MET 78 4.316 -11.609 -3.480 580 HG2 MET 78 HG2 MET 78 4.580 -9.245 -4.146 581 HG3 MET 78 HG3 MET 78 3.584 -8.754 -2.771 582 HE1 MET 78 HE1 MET 78 4.571 -10.763 -0.489 583 HE2 MET 78 HE2 MET 78 4.292 -9.035 -0.264 584 HE3 MET 78 HE3 MET 78 5.808 -9.758 0.264 585 H LYS 79 H LYS 79 3.471 -13.115 -4.747 586 HA LYS 79 HA LYS 79 1.120 -14.809 -4.893 587 HB2 LYS 79 HB2 LYS 79 4.070 -15.466 -5.310 588 HB3 LYS 79 HB3 LYS 79 2.721 -16.533 -5.703 589 HG2 LYS 79 HG2 LYS 79 1.919 -14.925 -7.394 590 HG3 LYS 79 HG3 LYS 79 3.234 -13.817 -6.981 591 HD2 LYS 79 HD2 LYS 79 4.887 -15.498 -7.745 592 HD3 LYS 79 HD3 LYS 79 3.576 -16.616 -8.142 593 HE2 LYS 79 HE2 LYS 79 4.066 -13.909 -9.440 594 HE3 LYS 79 HE3 LYS 79 4.430 -15.480 -10.154 595 HZ1 LYS 79 HZ1 LYS 79 2.036 -15.995 -10.025 596 HZ2 LYS 79 HZ2 LYS 79 2.378 -14.680 -11.028 597 HZ3 LYS 79 HZ3 LYS 79 1.744 -14.420 -9.485 598 H GLY 80 H GLY 80 0.418 -16.219 -3.374 599 HA2 GLY 80 HA2 GLY 80 0.330 -17.592 -1.513 600 HA3 GLY 80 HA3 GLY 80 2.047 -17.335 -1.247 601 H MET 81 H MET 81 0.265 -14.445 -1.587 602 HA MET 81 HA MET 81 0.713 -13.718 1.205 603 HB2 MET 81 HB2 MET 81 1.404 -12.177 -0.572 604 HB3 MET 81 HB3 MET 81 -0.232 -12.126 -1.212 605 HG2 MET 81 HG2 MET 81 -1.003 -10.952 0.784 606 HG3 MET 81 HG3 MET 81 0.611 -11.061 1.497 607 HE1 MET 81 HE1 MET 81 -1.063 -8.304 1.101 608 HE2 MET 81 HE2 MET 81 0.216 -7.228 0.526 609 HE3 MET 81 HE3 MET 81 0.535 -8.351 1.850 610 H LYS 82 H LYS 82 -2.087 -13.900 -1.037 611 HA LYS 82 HA LYS 82 -4.097 -13.321 0.900 612 HB2 LYS 82 HB2 LYS 82 -4.552 -13.098 -1.496 613 HB3 LYS 82 HB3 LYS 82 -4.306 -14.826 -1.743 614 HG2 LYS 82 HG2 LYS 82 -6.293 -15.321 -0.376 615 HG3 LYS 82 HG3 LYS 82 -6.514 -13.598 -0.048 616 HD2 LYS 82 HD2 LYS 82 -6.924 -13.189 -2.448 617 HD3 LYS 82 HD3 LYS 82 -6.677 -14.905 -2.795 618 HE2 LYS 82 HE2 LYS 82 -8.644 -15.490 -1.449 619 HE3 LYS 82 HE3 LYS 82 -8.859 -13.803 -0.977 620 HZ1 LYS 82 HZ1 LYS 82 -9.281 -13.260 -3.297 621 HZ2 LYS 82 HZ2 LYS 82 -10.379 -14.405 -2.714 622 HZ3 LYS 82 HZ3 LYS 82 -9.114 -14.889 -3.727 623 H GLY 83 H GLY 83 -5.001 -14.579 2.450 624 HA2 GLY 83 HA2 GLY 83 -5.817 -16.558 3.442 625 HA3 GLY 83 HA3 GLY 83 -4.849 -17.527 2.340 626 H ALA 84 H ALA 84 -2.564 -15.516 3.093 627 HA ALA 84 HA ALA 84 -1.332 -17.090 5.148 628 HB1 ALA 84 HB1 ALA 84 0.007 -16.017 3.379 629 HB2 ALA 84 HB2 ALA 84 0.540 -15.491 4.977 630 HB3 ALA 84 HB3 ALA 84 -0.451 -14.421 3.978 631 H THR 85 H THR 85 -0.645 -16.353 7.232 632 HA THR 85 HA THR 85 -2.693 -14.810 8.631 633 HB THR 85 HB THR 85 -0.262 -16.222 9.835 634 HG1 THR 85 HG1 THR 85 -1.659 -17.958 10.167 635 HG21 THR 85 HG21 THR 85 -1.305 -14.538 11.349 636 HG22 THR 85 HG22 THR 85 -1.567 -16.181 11.938 637 HG23 THR 85 HG23 THR 85 -2.875 -15.319 11.123 638 H ALA 86 H ALA 86 -2.469 -12.673 8.879 639 HA ALA 86 HA ALA 86 0.159 -11.354 8.640 640 HB1 ALA 86 HB1 ALA 86 -2.634 -10.199 8.290 641 HB2 ALA 86 HB2 ALA 86 -1.523 -10.642 6.994 642 HB3 ALA 86 HB3 ALA 86 -1.117 -9.313 8.080 643 H GLU 87 H GLU 87 0.967 -10.290 10.353 644 HA GLU 87 HA GLU 87 -0.533 -10.251 12.905 645 HB2 GLU 87 HB2 GLU 87 1.626 -11.446 12.981 646 HB3 GLU 87 HB3 GLU 87 2.457 -10.039 12.335 647 HG2 GLU 87 HG2 GLU 87 1.757 -8.788 14.437 648 HG3 GLU 87 HG3 GLU 87 1.184 -10.329 15.076 649 H ILE 88 H ILE 88 -1.441 -8.305 13.343 650 HA ILE 88 HA ILE 88 -0.791 -5.867 12.062 651 HB ILE 88 HB ILE 88 -2.245 -6.174 14.732 652 HG12 ILE 88 HG12 ILE 88 -3.339 -7.594 13.015 653 HG13 ILE 88 HG13 ILE 88 -4.365 -6.233 13.445 654 HG21 ILE 88 HG21 ILE 88 -3.321 -4.015 14.157 655 HG22 ILE 88 HG22 ILE 88 -2.350 -3.914 12.687 656 HG23 ILE 88 HG23 ILE 88 -1.569 -3.853 14.268 657 HD11 ILE 88 HD11 ILE 88 -3.696 -5.095 11.361 658 HD12 ILE 88 HD12 ILE 88 -4.452 -6.661 11.070 659 HD13 ILE 88 HD13 ILE 88 -2.703 -6.493 10.936 660 H ASP 89 H ASP 89 1.377 -5.414 12.234 661 HA ASP 89 HA ASP 89 2.896 -5.329 14.665 662 HB2 ASP 89 HB2 ASP 89 3.939 -5.713 12.450 663 HB3 ASP 89 HB3 ASP 89 3.394 -4.139 11.889 664 H SER 90 H SER 90 0.944 -3.080 12.824 665 HA SER 90 HA SER 90 0.564 -1.247 14.969 666 HB2 SER 90 HB2 SER 90 2.811 -0.421 14.284 667 HB3 SER 90 HB3 SER 90 2.236 -0.185 12.636 668 HG SER 90 HG SER 90 2.008 1.445 14.777 669 H ALA 91 H ALA 91 -0.865 0.591 14.308 670 HA ALA 91 HA ALA 91 -2.283 0.254 11.723 671 HB1 ALA 91 HB1 ALA 91 -3.600 0.777 14.429 672 HB2 ALA 91 HB2 ALA 91 -3.688 -0.727 13.508 673 HB3 ALA 91 HB3 ALA 91 -4.427 0.740 12.867 674 H GLU 92 H GLU 92 -2.537 2.177 10.619 675 HA GLU 92 HA GLU 92 -2.000 4.735 12.034 676 HB2 GLU 92 HB2 GLU 92 0.053 3.963 10.824 677 HB3 GLU 92 HB3 GLU 92 -0.848 3.954 9.310 678 HG2 GLU 92 HG2 GLU 92 -1.195 6.394 9.509 679 HG3 GLU 92 HG3 GLU 92 -0.314 6.403 11.034 680 H LYS 93 H LYS 93 -3.269 6.453 11.439 681 HA LYS 93 HA LYS 93 -5.362 6.086 9.395 682 HB2 LYS 93 HB2 LYS 93 -4.944 8.249 11.515 683 HB3 LYS 93 HB3 LYS 93 -6.274 8.243 10.356 684 HG2 LYS 93 HG2 LYS 93 -5.774 6.061 12.412 685 HG3 LYS 93 HG3 LYS 93 -6.877 7.421 12.645 686 HD2 LYS 93 HD2 LYS 93 -8.214 6.651 10.687 687 HD3 LYS 93 HD3 LYS 93 -7.121 5.277 10.486 688 HE2 LYS 93 HE2 LYS 93 -7.805 4.354 12.632 689 HE3 LYS 93 HE3 LYS 93 -8.752 5.799 13.000 690 HZ1 LYS 93 HZ1 LYS 93 -10.198 5.276 11.142 691 HZ2 LYS 93 HZ2 LYS 93 -10.159 4.008 12.254 692 HZ3 LYS 93 HZ3 LYS 93 -9.301 3.883 10.804 693 H THR 94 H THR 94 -4.322 6.374 7.446 694 HA THR 94 HA THR 94 -3.302 9.073 6.827 695 HB THR 94 HB THR 94 -1.295 7.654 7.175 696 HG1 THR 94 HG1 THR 94 -0.314 8.258 5.249 697 HG21 THR 94 HG21 THR 94 -2.328 5.984 4.850 698 HG22 THR 94 HG22 THR 94 -2.215 5.445 6.528 699 HG23 THR 94 HG23 THR 94 -0.749 5.823 5.623 700 H THR 95 H THR 95 -3.399 9.616 4.518 701 HA THR 95 HA THR 95 -5.678 8.373 3.161 702 HB THR 95 HB THR 95 -4.025 10.746 2.162 703 HG1 THR 95 HG1 THR 95 -6.339 10.712 3.831 704 HG21 THR 95 HG21 THR 95 -6.890 9.867 1.567 705 HG22 THR 95 HG22 THR 95 -5.517 9.689 0.470 706 HG23 THR 95 HG23 THR 95 -6.092 11.298 0.906 707 H VAL 96 H VAL 96 -5.440 6.951 1.468 708 HA VAL 96 HA VAL 96 -2.735 6.446 0.377 709 HB VAL 96 HB VAL 96 -3.466 4.013 0.095 710 HG11 VAL 96 HG11 VAL 96 -3.175 5.049 2.942 711 HG12 VAL 96 HG12 VAL 96 -1.858 4.672 1.826 712 HG13 VAL 96 HG13 VAL 96 -2.905 3.382 2.421 713 HG21 VAL 96 HG21 VAL 96 -5.269 3.163 1.578 714 HG22 VAL 96 HG22 VAL 96 -5.901 4.292 0.381 715 HG23 VAL 96 HG23 VAL 96 -5.668 4.819 2.049 716 H TYR 97 H TYR 97 -2.583 6.070 -1.790 717 HA TYR 97 HA TYR 97 -4.913 6.822 -3.443 718 HB2 TYR 97 HB2 TYR 97 -2.007 7.720 -3.697 719 HB3 TYR 97 HB3 TYR 97 -3.262 8.083 -4.876 720 HD1 TYR 97 HD1 TYR 97 -2.036 8.820 -1.451 721 HD2 TYR 97 HD2 TYR 97 -4.910 9.844 -4.445 722 HE1 TYR 97 HE1 TYR 97 -2.603 10.870 -0.218 723 HE2 TYR 97 HE2 TYR 97 -5.464 11.890 -3.208 724 HH TYR 97 HH TYR 97 -3.580 13.050 -0.581 725 H MET 98 H MET 98 -4.778 6.308 -5.662 726 HA MET 98 HA MET 98 -3.003 4.079 -6.480 727 HB2 MET 98 HB2 MET 98 -5.332 3.331 -6.349 728 HB3 MET 98 HB3 MET 98 -5.875 4.713 -7.281 729 HG2 MET 98 HG2 MET 98 -4.729 3.862 -9.263 730 HG3 MET 98 HG3 MET 98 -4.103 2.501 -8.329 731 HE1 MET 98 HE1 MET 98 -7.326 4.208 -9.814 732 HE2 MET 98 HE2 MET 98 -7.730 4.097 -8.100 733 HE3 MET 98 HE3 MET 98 -8.593 3.107 -9.274 734 H VAL 99 H VAL 99 -1.534 4.766 -7.947 735 HA VAL 99 HA VAL 99 -2.065 7.191 -9.598 736 HB VAL 99 HB VAL 99 0.332 7.886 -9.275 737 HG11 VAL 99 HG11 VAL 99 0.045 8.832 -7.001 738 HG12 VAL 99 HG12 VAL 99 -1.288 7.715 -6.697 739 HG13 VAL 99 HG13 VAL 99 -1.447 8.959 -7.940 740 HG21 VAL 99 HG21 VAL 99 0.399 5.716 -7.129 741 HG22 VAL 99 HG22 VAL 99 1.664 6.915 -7.414 742 HG23 VAL 99 HG23 VAL 99 1.308 5.698 -8.642 743 H ASP 100 H ASP 100 -1.042 7.365 -11.629 744 HA ASP 100 HA ASP 100 0.084 4.869 -12.789 745 HB2 ASP 100 HB2 ASP 100 -1.483 7.100 -14.181 746 HB3 ASP 100 HB3 ASP 100 -0.865 5.637 -14.951 747 H TYR 101 H TYR 101 2.242 5.078 -13.287 748 HA TYR 101 HA TYR 101 3.366 7.690 -14.113 749 HB2 TYR 101 HB2 TYR 101 5.234 7.508 -12.539 750 HB3 TYR 101 HB3 TYR 101 3.724 7.444 -11.643 751 HD1 TYR 101 HD1 TYR 101 2.987 5.284 -10.584 752 HD2 TYR 101 HD2 TYR 101 6.763 5.585 -12.568 753 HE1 TYR 101 HE1 TYR 101 3.721 3.198 -9.523 754 HE2 TYR 101 HE2 TYR 101 7.491 3.494 -11.506 755 HH TYR 101 HH TYR 101 5.314 1.430 -9.808 756 H THR 102 H THR 102 5.771 7.375 -14.737 757 HA THR 102 HA THR 102 6.330 4.742 -16.002 758 HB THR 102 HB THR 102 7.098 7.512 -17.056 759 HG1 THR 102 HG1 THR 102 4.901 6.236 -17.391 760 HG21 THR 102 HG21 THR 102 7.796 4.784 -18.231 761 HG22 THR 102 HG22 THR 102 8.942 5.898 -17.483 762 HG23 THR 102 HG23 THR 102 8.128 6.343 -18.984 763 H SER 103 H SER 103 8.133 3.798 -15.217 764 HA SER 103 HA SER 103 9.530 4.805 -12.989 765 HB2 SER 103 HB2 SER 103 9.277 2.403 -13.347 766 HB3 SER 103 HB3 SER 103 10.225 2.478 -14.832 767 HG SER 103 HG SER 103 11.070 2.201 -12.306 768 H THR 104 H THR 104 11.255 6.092 -12.799 769 HA THR 104 HA THR 104 12.608 7.327 -14.983 770 HB THR 104 HB THR 104 14.068 8.349 -13.205 771 HG1 THR 104 HG1 THR 104 13.182 7.766 -10.951 772 HG21 THR 104 HG21 THR 104 12.293 9.585 -12.012 773 HG22 THR 104 HG22 THR 104 11.101 8.389 -12.520 774 HG23 THR 104 HG23 THR 104 11.891 9.411 -13.724 775 H THR 105 H THR 105 13.559 4.848 -12.634 776 HA THR 105 HA THR 105 16.232 4.521 -13.712 777 HB THR 105 HB THR 105 14.792 2.804 -11.641 778 HG1 THR 105 HG1 THR 105 14.992 4.925 -10.882 779 HG21 THR 105 HG21 THR 105 17.048 2.096 -10.949 780 HG22 THR 105 HG22 THR 105 17.768 3.063 -12.237 781 HG23 THR 105 HG23 THR 105 16.768 1.666 -12.640 782 H SER 106 H SER 106 13.359 2.356 -13.514 783 HA SER 106 HA SER 106 14.673 0.326 -15.158 784 HB2 SER 106 HB2 SER 106 11.933 0.291 -13.826 785 HB3 SER 106 HB3 SER 106 12.728 -1.094 -14.586 786 HG SER 106 HG SER 106 13.468 -1.378 -12.632 787 H GLY 107 H GLY 107 12.321 2.849 -15.680 788 HA2 GLY 107 HA2 GLY 107 11.599 3.661 -17.748 789 HA3 GLY 107 HA3 GLY 107 12.174 2.200 -18.524 790 H GLU 108 H GLU 108 10.448 0.764 -16.289 791 HA GLU 108 HA GLU 108 8.348 0.026 -18.026 792 HB2 GLU 108 HB2 GLU 108 9.307 -1.432 -16.233 793 HB3 GLU 108 HB3 GLU 108 8.526 -0.430 -15.012 794 HG2 GLU 108 HG2 GLU 108 6.307 -1.047 -15.966 795 HG3 GLU 108 HG3 GLU 108 7.111 -2.087 -17.139 796 H LYS 109 H LYS 109 6.411 0.929 -18.423 797 HA LYS 109 HA LYS 109 5.440 3.234 -16.929 798 HB2 LYS 109 HB2 LYS 109 4.247 1.803 -19.353 799 HB3 LYS 109 HB3 LYS 109 3.697 3.349 -18.704 800 HG2 LYS 109 HG2 LYS 109 5.817 4.404 -19.288 801 HG3 LYS 109 HG3 LYS 109 6.486 2.852 -19.804 802 HD2 LYS 109 HD2 LYS 109 4.835 2.743 -21.638 803 HD3 LYS 109 HD3 LYS 109 4.138 4.283 -21.117 804 HE2 LYS 109 HE2 LYS 109 6.235 5.437 -21.630 805 HE3 LYS 109 HE3 LYS 109 7.012 3.909 -22.045 806 HZ1 LYS 109 HZ1 LYS 109 5.577 3.677 -23.921 807 HZ2 LYS 109 HZ2 LYS 109 6.271 5.218 -23.982 808 HZ3 LYS 109 HZ3 LYS 109 4.669 5.033 -23.481 809 H VAL 110 H VAL 110 4.474 2.801 -15.062 810 HA VAL 110 HA VAL 110 3.075 0.226 -14.618 811 HB VAL 110 HB VAL 110 4.174 2.177 -12.544 812 HG11 VAL 110 HG11 VAL 110 3.828 0.334 -10.913 813 HG12 VAL 110 HG12 VAL 110 3.055 -0.632 -12.174 814 HG13 VAL 110 HG13 VAL 110 2.307 0.870 -11.628 815 HG21 VAL 110 HG21 VAL 110 5.346 -0.458 -13.524 816 HG22 VAL 110 HG22 VAL 110 5.982 0.521 -12.199 817 HG23 VAL 110 HG23 VAL 110 5.996 1.153 -13.845 818 H LYS 111 H LYS 111 0.928 0.244 -14.503 819 HA LYS 111 HA LYS 111 -0.527 2.803 -14.218 820 HB2 LYS 111 HB2 LYS 111 -2.376 1.809 -15.486 821 HB3 LYS 111 HB3 LYS 111 -0.886 1.756 -16.410 822 HG2 LYS 111 HG2 LYS 111 -2.000 -0.639 -14.907 823 HG3 LYS 111 HG3 LYS 111 -2.394 -0.281 -16.592 824 HD2 LYS 111 HD2 LYS 111 -0.013 -0.501 -17.207 825 HD3 LYS 111 HD3 LYS 111 0.413 -0.795 -15.521 826 HE2 LYS 111 HE2 LYS 111 0.351 -2.902 -16.745 827 HE3 LYS 111 HE3 LYS 111 -0.949 -2.869 -15.555 828 HZ1 LYS 111 HZ1 LYS 111 -1.715 -3.745 -17.646 829 HZ2 LYS 111 HZ2 LYS 111 -1.219 -2.356 -18.466 830 HZ3 LYS 111 HZ3 LYS 111 -2.482 -2.269 -17.343 831 H ASN 112 H ASN 112 -2.085 3.062 -12.747 832 HA ASN 112 HA ASN 112 -3.287 2.878 -10.844 833 HB2 ASN 112 HB2 ASN 112 -3.804 0.089 -11.967 834 HB3 ASN 112 HB3 ASN 112 -4.716 0.804 -10.639 835 HD21 ASN 112 HD21 ASN 112 -6.092 2.578 -11.081 836 HD22 ASN 112 HD22 ASN 112 -6.614 2.941 -12.680 837 H HIS 113 H HIS 113 -0.568 2.506 -10.419 838 HA HIS 113 HA HIS 113 0.120 0.378 -8.683 839 HB2 HIS 113 HB2 HIS 113 1.823 1.775 -9.782 840 HB3 HIS 113 HB3 HIS 113 1.273 3.198 -8.904 841 HD2 HIS 113 HD2 HIS 113 2.230 3.456 -6.306 842 HE1 HIS 113 HE1 HIS 113 4.594 -0.048 -6.379 843 HE2 HIS 113 HE2 HIS 113 3.836 1.917 -4.981 844 H LYS 114 H LYS 114 -0.167 0.079 -6.523 845 HA LYS 114 HA LYS 114 -1.117 2.194 -4.734 846 HB2 LYS 114 HB2 LYS 114 -3.192 0.975 -4.130 847 HB3 LYS 114 HB3 LYS 114 -3.181 1.416 -5.837 848 HG2 LYS 114 HG2 LYS 114 -2.415 -0.943 -6.351 849 HG3 LYS 114 HG3 LYS 114 -2.665 -1.335 -4.649 850 HD2 LYS 114 HD2 LYS 114 -4.588 -2.061 -5.989 851 HD3 LYS 114 HD3 LYS 114 -5.072 -0.775 -4.875 852 HE2 LYS 114 HE2 LYS 114 -5.040 0.860 -6.670 853 HE3 LYS 114 HE3 LYS 114 -4.344 -0.307 -7.791 854 HZ1 LYS 114 HZ1 LYS 114 -6.704 0.031 -8.136 855 HZ2 LYS 114 HZ2 LYS 114 -7.037 -0.515 -6.573 856 HZ3 LYS 114 HZ3 LYS 114 -6.364 -1.569 -7.712 857 H TRP 115 H TRP 115 -0.105 0.124 -1.947 858 HA TRP 115 HA TRP 115 -1.634 2.474 -2.909 859 HB2 TRP 115 HB2 TRP 115 -1.338 1.349 -0.081 860 HB3 TRP 115 HB3 TRP 115 -2.302 2.756 -0.519 861 HD1 TRP 115 HD1 TRP 115 -2.541 -0.988 -0.226 862 HE1 TRP 115 HE1 TRP 115 -4.835 -1.793 -1.042 863 HE3 TRP 115 HE3 TRP 115 -4.192 3.345 -2.412 864 HZ2 TRP 115 HZ2 TRP 115 -7.050 -0.744 -2.438 865 HZ3 TRP 115 HZ3 TRP 115 -6.416 3.356 -3.467 866 HH2 TRP 115 HH2 TRP 115 -7.819 1.350 -3.480 867 H VAL 116 H VAL 116 -0.951 4.560 -2.434 868 HA VAL 116 HA VAL 116 1.676 4.981 -1.092 869 HB VAL 116 HB VAL 116 2.235 6.778 -2.757 870 HG11 VAL 116 HG11 VAL 116 1.848 4.036 -4.028 871 HG12 VAL 116 HG12 VAL 116 3.224 4.537 -3.042 872 HG13 VAL 116 HG13 VAL 116 2.941 5.299 -4.608 873 HG21 VAL 116 HG21 VAL 116 -0.157 5.725 -4.333 874 HG22 VAL 116 HG22 VAL 116 1.009 6.922 -4.912 875 HG23 VAL 116 HG23 VAL 116 -0.049 7.305 -3.552 876 H THR 117 H THR 117 1.906 7.012 0.011 877 HA THR 117 HA THR 117 -0.661 8.252 0.768 878 HB THR 117 HB THR 117 0.574 9.258 2.679 879 HG1 THR 117 HG1 THR 117 2.814 7.793 1.685 880 HG21 THR 117 HG21 THR 117 1.044 7.170 3.908 881 HG22 THR 117 HG22 THR 117 1.038 6.271 2.390 882 HG23 THR 117 HG23 THR 117 -0.446 7.031 2.973 883 H GLU 118 H GLU 118 -0.629 10.663 1.260 884 HA GLU 118 HA GLU 118 0.118 12.168 -1.069 885 HB2 GLU 118 HB2 GLU 118 -1.910 12.652 0.289 886 HB3 GLU 118 HB3 GLU 118 -0.890 13.150 1.633 887 HG2 GLU 118 HG2 GLU 118 -0.035 15.037 0.319 888 HG3 GLU 118 HG3 GLU 118 -0.982 14.513 -1.075 889 H ASP 119 H ASP 119 1.560 11.637 2.070 890 HA ASP 119 HA ASP 119 3.642 13.534 2.125 891 HB2 ASP 119 HB2 ASP 119 2.952 12.039 4.006 892 HB3 ASP 119 HB3 ASP 119 3.606 10.653 3.142 893 H GLU 120 H GLU 120 3.158 10.813 0.054 894 HA GLU 120 HA GLU 120 5.937 10.710 -0.906 895 HB2 GLU 120 HB2 GLU 120 3.564 8.866 -1.440 896 HB3 GLU 120 HB3 GLU 120 5.206 8.620 -2.042 897 HG2 GLU 120 HG2 GLU 120 6.015 8.462 0.311 898 HG3 GLU 120 HG3 GLU 120 4.350 8.632 0.870 899 H LEU 121 H LEU 121 3.258 12.516 -1.684 900 HA LEU 121 HA LEU 121 3.729 12.454 -4.625 901 HB2 LEU 121 HB2 LEU 121 1.099 13.026 -3.185 902 HB3 LEU 121 HB3 LEU 121 1.345 13.109 -4.926 903 HG LEU 121 HG LEU 121 1.485 10.580 -3.225 904 HD11 LEU 121 HD11 LEU 121 -0.807 11.414 -3.472 905 HD12 LEU 121 HD12 LEU 121 -0.581 9.910 -4.359 906 HD13 LEU 121 HD13 LEU 121 -0.627 11.448 -5.229 907 HD21 LEU 121 HD21 LEU 121 1.751 10.873 -6.241 908 HD22 LEU 121 HD22 LEU 121 1.670 9.349 -5.351 909 HD23 LEU 121 HD23 LEU 121 3.039 10.430 -5.117 910 H SER 122 H SER 122 3.468 14.523 -5.736 911 HA SER 122 HA SER 122 3.250 16.979 -4.116 912 HB2 SER 122 HB2 SER 122 5.682 16.524 -4.267 913 HB3 SER 122 HB3 SER 122 5.570 16.404 -6.022 914 HG SER 122 HG SER 122 5.647 18.636 -4.398 915 H ALA 123 H ALA 123 1.851 18.387 -5.138 916 HA ALA 123 HA ALA 123 0.630 17.657 -7.620 917 HB1 ALA 123 HB1 ALA 123 0.305 20.221 -6.030 918 HB2 ALA 123 HB2 ALA 123 -0.629 18.739 -5.818 919 HB3 ALA 123 HB3 ALA 123 -0.761 19.652 -7.321 920 H LYS 124 H LYS 124 1.279 18.120 -9.639 921 HA LYS 124 HA LYS 124 3.515 20.006 -10.040 922 HB2 LYS 124 HB2 LYS 124 3.801 17.492 -10.434 923 HB3 LYS 124 HB3 LYS 124 2.731 17.666 -11.817 924 HG2 LYS 124 HG2 LYS 124 4.827 19.649 -12.042 925 HG3 LYS 124 HG3 LYS 124 5.583 18.107 -11.666 926 HD2 LYS 124 HD2 LYS 124 3.797 18.755 -14.040 927 HD3 LYS 124 HD3 LYS 124 5.525 18.387 -14.059 928 HE2 LYS 124 HE2 LYS 124 4.973 16.071 -13.245 929 HE3 LYS 124 HE3 LYS 124 3.259 16.461 -13.411 930 HZ1 LYS 124 HZ1 LYS 124 5.260 16.496 -15.603 931 HZ2 LYS 124 HZ2 LYS 124 3.615 16.840 -15.768 932 HZ3 LYS 124 HZ3 LYS 124 4.115 15.284 -15.341 933 H LEU 125 H LEU 125 3.343 21.682 -11.452 934 HA LEU 125 HA LEU 125 0.998 21.867 -13.273 935 HB2 LEU 125 HB2 LEU 125 0.920 23.507 -11.391 936 HB3 LEU 125 HB3 LEU 125 2.488 24.130 -11.877 937 HG LEU 125 HG LEU 125 1.481 24.883 -14.053 938 HD11 LEU 125 HD11 LEU 125 -1.170 24.047 -12.835 939 HD12 LEU 125 HD12 LEU 125 -0.379 23.300 -14.226 940 HD13 LEU 125 HD13 LEU 125 -0.952 24.962 -14.330 941 HD21 LEU 125 HD21 LEU 125 0.121 26.002 -11.579 942 HD22 LEU 125 HD22 LEU 125 0.265 26.812 -13.140 943 HD23 LEU 125 HD23 LEU 125 1.711 26.466 -12.194 944 H GLU 126 H GLU 126 1.402 22.313 -15.405 945 HA GLU 126 HA GLU 126 4.114 23.140 -16.289 946 HB2 GLU 126 HB2 GLU 126 2.332 20.999 -17.550 947 HB3 GLU 126 HB3 GLU 126 3.739 21.688 -18.359 948 HG2 GLU 126 HG2 GLU 126 5.210 20.800 -16.613 949 HG3 GLU 126 HG3 GLU 126 3.823 20.173 -15.724 950 H HIS 127 H HIS 127 4.134 24.840 -17.641 951 HA HIS 127 HA HIS 127 1.666 26.129 -18.507 952 HB2 HIS 127 HB2 HIS 127 3.646 27.366 -17.515 953 HB3 HIS 127 HB3 HIS 127 4.577 26.964 -18.954 954 HD1 HIS 127 HD1 HIS 127 1.503 28.943 -17.918 955 HD2 HIS 127 HD2 HIS 127 4.266 28.764 -21.013 956 HE1 HIS 127 HE1 HIS 127 1.047 30.957 -19.338 957 HE2 HIS 127 HE2 HIS 127 2.624 30.739 -21.280 958 H HIS 128 H HIS 128 0.852 26.065 -20.602 959 HA HIS 128 HA HIS 128 1.515 23.929 -22.289 960 HB2 HIS 128 HB2 HIS 128 -0.107 26.419 -22.946 961 HB3 HIS 128 HB3 HIS 128 -0.070 24.965 -23.940 962 HD1 HIS 128 HD1 HIS 128 -1.744 26.453 -21.036 963 HD2 HIS 128 HD2 HIS 128 -1.287 22.650 -22.645 964 HE1 HIS 128 HE1 HIS 128 -3.465 25.038 -19.895 965 HE2 HIS 128 HE2 HIS 128 -3.060 22.717 -20.757 966 H HIS 129 H HIS 129 1.728 27.350 -23.433 967 HA HIS 129 HA HIS 129 3.945 26.683 -25.215 968 HB2 HIS 129 HB2 HIS 129 2.082 28.149 -25.995 969 HB3 HIS 129 HB3 HIS 129 2.517 29.343 -24.777 970 HD1 HIS 129 HD1 HIS 129 4.133 27.615 -27.774 971 HD2 HIS 129 HD2 HIS 129 4.231 31.248 -25.762 972 HE1 HIS 129 HE1 HIS 129 5.699 29.068 -29.084 973 HE2 HIS 129 HE2 HIS 129 5.861 31.194 -27.762 974 H HIS 130 H HIS 130 5.288 26.087 -23.379 975 HA HIS 130 HA HIS 130 6.305 28.133 -21.578 976 HB2 HIS 130 HB2 HIS 130 7.699 26.229 -20.667 977 HB3 HIS 130 HB3 HIS 130 5.965 25.942 -20.623 978 HD1 HIS 130 HD1 HIS 130 5.032 24.037 -22.089 979 HD2 HIS 130 HD2 HIS 130 9.149 24.516 -22.435 980 HE1 HIS 130 HE1 HIS 130 5.842 22.014 -23.319 981 HE2 HIS 130 HE2 HIS 130 8.332 22.273 -23.431 982 H HIS 131 H HIS 131 7.382 26.466 -24.487 983 HA HIS 131 HA HIS 131 10.143 27.233 -24.349 984 HB2 HIS 131 HB2 HIS 131 9.452 25.232 -25.595 985 HB3 HIS 131 HB3 HIS 131 8.481 26.209 -26.692 986 HD1 HIS 131 HD1 HIS 131 9.736 27.553 -28.516 987 HD2 HIS 131 HD2 HIS 131 12.231 25.234 -26.137 988 HE1 HIS 131 HE1 HIS 131 11.942 27.518 -29.699 989 HE2 HIS 131 HE2 HIS 131 13.361 25.943 -28.356 990 H HIS 132 H HIS 132 10.873 29.248 -24.626 991 HA HIS 132 HA HIS 132 9.492 31.200 -26.354 992 HB2 HIS 132 HB2 HIS 132 11.876 31.563 -24.471 993 HB3 HIS 132 HB3 HIS 132 11.051 32.856 -25.340 994 HD1 HIS 132 HD1 HIS 132 11.202 31.615 -22.078 995 HD2 HIS 132 HD2 HIS 132 8.037 32.606 -24.572 996 HE1 HIS 132 HE1 HIS 132 9.251 32.004 -20.555 997 HE2 HIS 132 HE2 HIS 132 7.316 32.451 -22.097 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -3.118 16.502 -2.190 2 H2 MET 1 H2 MET 1 -4.157 15.177 -2.288 3 H3 MET 1 H3 MET 1 -4.788 16.741 -2.149 4 HA MET 1 HA MET 1 -3.996 17.353 -4.295 5 HB2 MET 1 HB2 MET 1 -2.842 15.623 -5.731 6 HB3 MET 1 HB3 MET 1 -1.913 16.128 -4.330 7 HG2 MET 1 HG2 MET 1 -2.699 14.046 -3.148 8 HG3 MET 1 HG3 MET 1 -3.414 13.525 -4.677 9 HE1 MET 1 HE1 MET 1 -0.024 15.535 -4.226 10 HE2 MET 1 HE2 MET 1 1.124 14.207 -4.072 11 HE3 MET 1 HE3 MET 1 -0.080 14.481 -2.810 12 H LYS 2 H LYS 2 -5.313 17.022 -6.173 13 HA LYS 2 HA LYS 2 -7.764 15.497 -5.612 14 HB2 LYS 2 HB2 LYS 2 -7.178 17.496 -7.845 15 HB3 LYS 2 HB3 LYS 2 -8.759 16.835 -7.430 16 HG2 LYS 2 HG2 LYS 2 -7.065 18.640 -5.667 17 HG3 LYS 2 HG3 LYS 2 -8.485 19.131 -6.596 18 HD2 LYS 2 HD2 LYS 2 -9.899 17.616 -5.224 19 HD3 LYS 2 HD3 LYS 2 -8.477 17.125 -4.295 20 HE2 LYS 2 HE2 LYS 2 -8.206 19.446 -3.487 21 HE3 LYS 2 HE3 LYS 2 -9.608 19.947 -4.438 22 HZ1 LYS 2 HZ1 LYS 2 -10.183 19.585 -2.144 23 HZ2 LYS 2 HZ2 LYS 2 -9.632 17.990 -2.217 24 HZ3 LYS 2 HZ3 LYS 2 -10.974 18.459 -3.128 25 H VAL 3 H VAL 3 -8.798 14.158 -7.240 26 HA VAL 3 HA VAL 3 -7.095 12.443 -8.731 27 HB VAL 3 HB VAL 3 -10.118 12.754 -9.002 28 HG11 VAL 3 HG11 VAL 3 -10.062 10.426 -9.906 29 HG12 VAL 3 HG12 VAL 3 -8.298 10.454 -9.850 30 HG13 VAL 3 HG13 VAL 3 -9.163 11.547 -10.932 31 HG21 VAL 3 HG21 VAL 3 -8.515 10.852 -7.238 32 HG22 VAL 3 HG22 VAL 3 -10.268 10.820 -7.440 33 HG23 VAL 3 HG23 VAL 3 -9.495 12.210 -6.675 34 H GLY 4 H GLY 4 -6.302 12.642 -10.707 35 HA2 GLY 4 HA2 GLY 4 -6.294 13.293 -13.021 36 HA3 GLY 4 HA3 GLY 4 -7.302 14.674 -12.616 37 H SER 5 H SER 5 -5.103 14.628 -10.193 38 HA SER 5 HA SER 5 -3.536 16.799 -11.266 39 HB2 SER 5 HB2 SER 5 -3.291 15.316 -8.609 40 HB3 SER 5 HB3 SER 5 -2.384 16.772 -9.036 41 HG SER 5 HG SER 5 -4.071 17.918 -8.559 42 H GLN 6 H GLN 6 -1.448 16.849 -11.904 43 HA GLN 6 HA GLN 6 0.111 14.369 -12.213 44 HB2 GLN 6 HB2 GLN 6 0.501 17.186 -13.299 45 HB3 GLN 6 HB3 GLN 6 1.782 15.989 -13.385 46 HG2 GLN 6 HG2 GLN 6 0.620 16.125 -15.509 47 HG3 GLN 6 HG3 GLN 6 0.342 14.545 -14.772 48 HE21 GLN 6 HE21 GLN 6 -1.127 17.642 -15.537 49 HE22 GLN 6 HE22 GLN 6 -2.759 17.101 -15.398 50 H VAL 7 H VAL 7 1.467 13.827 -10.646 51 HA VAL 7 HA VAL 7 2.477 15.852 -8.725 52 HB VAL 7 HB VAL 7 2.004 14.303 -6.837 53 HG11 VAL 7 HG11 VAL 7 -0.448 14.646 -6.730 54 HG12 VAL 7 HG12 VAL 7 -0.475 15.017 -8.455 55 HG13 VAL 7 HG13 VAL 7 0.383 16.079 -7.336 56 HG21 VAL 7 HG21 VAL 7 2.000 12.134 -8.006 57 HG22 VAL 7 HG22 VAL 7 0.533 12.579 -8.879 58 HG23 VAL 7 HG23 VAL 7 0.482 12.352 -7.128 59 H ILE 8 H ILE 8 4.385 15.291 -7.605 60 HA ILE 8 HA ILE 8 6.133 13.340 -8.974 61 HB ILE 8 HB ILE 8 6.907 15.571 -7.030 62 HG12 ILE 8 HG12 ILE 8 5.914 16.560 -9.072 63 HG13 ILE 8 HG13 ILE 8 7.644 16.872 -9.012 64 HG21 ILE 8 HG21 ILE 8 9.212 15.239 -7.895 65 HG22 ILE 8 HG22 ILE 8 8.653 13.881 -8.873 66 HG23 ILE 8 HG23 ILE 8 8.592 13.784 -7.111 67 HD11 ILE 8 HD11 ILE 8 6.290 14.778 -10.711 68 HD12 ILE 8 HD12 ILE 8 8.024 15.118 -10.667 69 HD13 ILE 8 HD13 ILE 8 6.898 16.342 -11.253 70 H ILE 9 H ILE 9 6.621 11.451 -7.954 71 HA ILE 9 HA ILE 9 5.529 10.912 -5.304 72 HB ILE 9 HB ILE 9 7.106 9.021 -7.107 73 HG12 ILE 9 HG12 ILE 9 4.074 9.372 -6.905 74 HG13 ILE 9 HG13 ILE 9 5.066 9.933 -8.246 75 HG21 ILE 9 HG21 ILE 9 6.032 7.221 -5.786 76 HG22 ILE 9 HG22 ILE 9 5.238 8.425 -4.770 77 HG23 ILE 9 HG23 ILE 9 6.998 8.276 -4.751 78 HD11 ILE 9 HD11 ILE 9 4.614 7.068 -7.431 79 HD12 ILE 9 HD12 ILE 9 5.666 7.600 -8.744 80 HD13 ILE 9 HD13 ILE 9 3.932 7.895 -8.829 81 H ASN 10 H ASN 10 6.663 11.091 -3.442 82 HA ASN 10 HA ASN 10 9.519 11.783 -3.547 83 HB2 ASN 10 HB2 ASN 10 7.641 13.158 -2.358 84 HB3 ASN 10 HB3 ASN 10 7.702 11.935 -1.100 85 HD21 ASN 10 HD21 ASN 10 9.656 11.745 0.131 86 HD22 ASN 10 HD22 ASN 10 10.758 13.064 0.249 87 H THR 11 H THR 11 8.001 8.889 -3.287 88 HA THR 11 HA THR 11 9.921 7.671 -1.387 89 HB THR 11 HB THR 11 6.909 7.185 -1.156 90 HG1 THR 11 HG1 THR 11 7.427 9.263 -0.425 91 HG21 THR 11 HG21 THR 11 9.183 6.352 0.693 92 HG22 THR 11 HG22 THR 11 8.291 5.268 -0.379 93 HG23 THR 11 HG23 THR 11 7.463 6.054 0.966 94 H SER 12 H SER 12 10.217 5.379 -1.669 95 HA SER 12 HA SER 12 8.954 4.164 -4.069 96 HB2 SER 12 HB2 SER 12 11.021 2.698 -4.187 97 HB3 SER 12 HB3 SER 12 11.313 4.402 -4.503 98 HG SER 12 HG SER 12 11.606 3.476 -1.868 99 H HIS 13 H HIS 13 7.410 2.847 -3.388 100 HA HIS 13 HA HIS 13 7.951 0.678 -1.487 101 HB2 HIS 13 HB2 HIS 13 5.461 1.254 -3.177 102 HB3 HIS 13 HB3 HIS 13 5.604 -0.026 -1.975 103 HD2 HIS 13 HD2 HIS 13 5.705 3.950 -1.963 104 HE1 HIS 13 HE1 HIS 13 4.095 2.504 1.671 105 HE2 HIS 13 HE2 HIS 13 4.390 4.534 0.205 106 H MET 14 H MET 14 7.521 1.396 -4.919 107 HA MET 14 HA MET 14 8.803 -1.155 -5.713 108 HB2 MET 14 HB2 MET 14 7.330 0.915 -7.416 109 HB3 MET 14 HB3 MET 14 8.055 -0.572 -8.024 110 HG2 MET 14 HG2 MET 14 5.756 -0.393 -6.064 111 HG3 MET 14 HG3 MET 14 5.634 -0.800 -7.780 112 HE1 MET 14 HE1 MET 14 4.215 -3.013 -6.894 113 HE2 MET 14 HE2 MET 14 4.523 -2.541 -5.223 114 HE3 MET 14 HE3 MET 14 4.901 -4.177 -5.760 115 H LYS 15 H LYS 15 10.654 -1.031 -7.144 116 HA LYS 15 HA LYS 15 12.651 0.716 -6.222 117 HB2 LYS 15 HB2 LYS 15 13.104 -1.544 -7.085 118 HB3 LYS 15 HB3 LYS 15 12.650 -1.046 -8.706 119 HG2 LYS 15 HG2 LYS 15 15.081 -1.206 -8.509 120 HG3 LYS 15 HG3 LYS 15 14.606 0.469 -8.796 121 HD2 LYS 15 HD2 LYS 15 16.378 0.391 -7.107 122 HD3 LYS 15 HD3 LYS 15 14.882 0.955 -6.366 123 HE2 LYS 15 HE2 LYS 15 14.511 -1.295 -5.400 124 HE3 LYS 15 HE3 LYS 15 15.989 -1.877 -6.167 125 HZ1 LYS 15 HZ1 LYS 15 16.289 -1.304 -3.830 126 HZ2 LYS 15 HZ2 LYS 15 15.872 0.302 -4.159 127 HZ3 LYS 15 HZ3 LYS 15 17.266 -0.366 -4.837 128 H GLY 16 H GLY 16 10.897 0.811 -9.325 129 HA2 GLY 16 HA2 GLY 16 12.360 3.113 -10.333 130 HA3 GLY 16 HA3 GLY 16 11.055 2.262 -11.131 131 H MET 17 H MET 17 10.088 3.143 -7.999 132 HA MET 17 HA MET 17 8.173 4.995 -9.240 133 HB2 MET 17 HB2 MET 17 7.374 3.062 -7.821 134 HB3 MET 17 HB3 MET 17 8.072 3.855 -6.415 135 HG2 MET 17 HG2 MET 17 6.557 5.713 -6.623 136 HG3 MET 17 HG3 MET 17 5.997 5.154 -8.197 137 HE1 MET 17 HE1 MET 17 4.947 3.198 -4.182 138 HE2 MET 17 HE2 MET 17 5.882 4.682 -4.362 139 HE3 MET 17 HE3 MET 17 6.581 3.132 -4.843 140 H LYS 18 H LYS 18 10.844 5.054 -6.969 141 HA LYS 18 HA LYS 18 10.278 7.517 -5.664 142 HB2 LYS 18 HB2 LYS 18 11.907 5.826 -4.834 143 HB3 LYS 18 HB3 LYS 18 12.974 6.198 -6.178 144 HG2 LYS 18 HG2 LYS 18 13.339 8.454 -5.316 145 HG3 LYS 18 HG3 LYS 18 12.160 8.183 -4.031 146 HD2 LYS 18 HD2 LYS 18 14.463 7.970 -3.174 147 HD3 LYS 18 HD3 LYS 18 13.595 6.437 -3.048 148 HE2 LYS 18 HE2 LYS 18 15.880 6.047 -3.833 149 HE3 LYS 18 HE3 LYS 18 14.739 5.642 -5.112 150 HZ1 LYS 18 HZ1 LYS 18 15.199 7.789 -6.134 151 HZ2 LYS 18 HZ2 LYS 18 16.612 6.879 -5.968 152 HZ3 LYS 18 HZ3 LYS 18 16.304 8.156 -4.906 153 H GLY 19 H GLY 19 10.236 9.476 -6.532 154 HA2 GLY 19 HA2 GLY 19 10.897 11.373 -7.677 155 HA3 GLY 19 HA3 GLY 19 12.217 10.475 -8.400 156 H ALA 20 H ALA 20 9.459 8.685 -8.961 157 HA ALA 20 HA ALA 20 9.279 9.449 -11.741 158 HB1 ALA 20 HB1 ALA 20 7.608 7.460 -10.161 159 HB2 ALA 20 HB2 ALA 20 9.075 7.091 -11.072 160 HB3 ALA 20 HB3 ALA 20 7.625 7.632 -11.921 161 H GLU 21 H GLU 21 7.373 10.242 -12.824 162 HA GLU 21 HA GLU 21 5.740 12.045 -11.155 163 HB2 GLU 21 HB2 GLU 21 6.946 13.032 -13.068 164 HB3 GLU 21 HB3 GLU 21 6.102 11.956 -14.179 165 HG2 GLU 21 HG2 GLU 21 3.981 13.030 -13.714 166 HG3 GLU 21 HG3 GLU 21 4.697 13.994 -12.420 167 H ALA 22 H ALA 22 3.855 11.250 -10.470 168 HA ALA 22 HA ALA 22 2.375 9.226 -12.003 169 HB1 ALA 22 HB1 ALA 22 1.065 8.918 -9.948 170 HB2 ALA 22 HB2 ALA 22 1.933 10.253 -9.175 171 HB3 ALA 22 HB3 ALA 22 2.793 8.782 -9.632 172 H THR 23 H THR 23 0.037 9.373 -12.105 173 HA THR 23 HA THR 23 -1.199 12.053 -11.918 174 HB THR 23 HB THR 23 -1.921 9.843 -13.919 175 HG1 THR 23 HG1 THR 23 -1.314 11.602 -15.426 176 HG21 THR 23 HG21 THR 23 -3.539 11.493 -14.848 177 HG22 THR 23 HG22 THR 23 -3.151 12.612 -13.540 178 HG23 THR 23 HG23 THR 23 -3.941 11.074 -13.179 179 H VAL 24 H VAL 24 -2.772 12.065 -10.398 180 HA VAL 24 HA VAL 24 -3.317 9.759 -8.784 181 HB VAL 24 HB VAL 24 -4.792 12.436 -8.770 182 HG11 VAL 24 HG11 VAL 24 -5.357 11.871 -6.410 183 HG12 VAL 24 HG12 VAL 24 -4.583 10.297 -6.604 184 HG13 VAL 24 HG13 VAL 24 -6.026 10.691 -7.541 185 HG21 VAL 24 HG21 VAL 24 -2.327 11.615 -7.176 186 HG22 VAL 24 HG22 VAL 24 -3.226 13.119 -6.964 187 HG23 VAL 24 HG23 VAL 24 -2.372 12.809 -8.478 188 H THR 25 H THR 25 -4.619 8.120 -9.478 189 HA THR 25 HA THR 25 -6.821 8.621 -11.366 190 HB THR 25 HB THR 25 -6.846 6.179 -11.710 191 HG1 THR 25 HG1 THR 25 -5.704 4.817 -10.482 192 HG21 THR 25 HG21 THR 25 -5.250 7.498 -13.053 193 HG22 THR 25 HG22 THR 25 -4.608 5.889 -12.709 194 HG23 THR 25 HG23 THR 25 -4.017 7.288 -11.807 195 H GLY 26 H GLY 26 -6.338 8.064 -7.996 196 HA2 GLY 26 HA2 GLY 26 -9.185 8.116 -7.489 197 HA3 GLY 26 HA3 GLY 26 -8.414 6.595 -7.055 198 H ALA 27 H ALA 27 -9.739 8.456 -5.302 199 HA ALA 27 HA ALA 27 -7.542 9.096 -3.419 200 HB1 ALA 27 HB1 ALA 27 -8.334 11.192 -4.452 201 HB2 ALA 27 HB2 ALA 27 -8.743 11.141 -2.737 202 HB3 ALA 27 HB3 ALA 27 -9.989 10.831 -3.951 203 H TYR 28 H TYR 28 -7.775 7.703 -1.776 204 HA TYR 28 HA TYR 28 -10.472 6.984 -0.746 205 HB2 TYR 28 HB2 TYR 28 -7.875 5.387 -0.778 206 HB3 TYR 28 HB3 TYR 28 -9.298 4.901 0.137 207 HD1 TYR 28 HD1 TYR 28 -8.253 5.729 -3.402 208 HD2 TYR 28 HD2 TYR 28 -10.861 3.468 -0.878 209 HE1 TYR 28 HE1 TYR 28 -9.099 4.507 -5.368 210 HE2 TYR 28 HE2 TYR 28 -11.716 2.256 -2.833 211 HH TYR 28 HH TYR 28 -11.894 2.454 -5.208 212 H ASP 29 H ASP 29 -10.915 7.819 1.228 213 HA ASP 29 HA ASP 29 -8.703 8.391 3.125 214 HB2 ASP 29 HB2 ASP 29 -10.298 9.896 4.303 215 HB3 ASP 29 HB3 ASP 29 -10.016 10.385 2.637 216 H THR 30 H THR 30 -8.422 6.303 3.813 217 HA THR 30 HA THR 30 -10.475 5.185 5.636 218 HB THR 30 HB THR 30 -10.685 3.891 3.554 219 HG1 THR 30 HG1 THR 30 -11.007 2.430 5.084 220 HG21 THR 30 HG21 THR 30 -8.804 2.546 2.659 221 HG22 THR 30 HG22 THR 30 -7.716 3.285 3.835 222 HG23 THR 30 HG23 THR 30 -8.458 4.277 2.577 223 H THR 31 H THR 31 -9.436 3.340 7.011 224 HA THR 31 HA THR 31 -7.055 4.375 8.294 225 HB THR 31 HB THR 31 -8.400 1.709 8.952 226 HG1 THR 31 HG1 THR 31 -9.965 2.765 9.945 227 HG21 THR 31 HG21 THR 31 -6.208 2.139 10.051 228 HG22 THR 31 HG22 THR 31 -7.529 2.147 11.222 229 HG23 THR 31 HG23 THR 31 -6.829 3.672 10.674 230 H ALA 32 H ALA 32 -5.016 3.764 7.869 231 HA ALA 32 HA ALA 32 -4.479 1.511 6.025 232 HB1 ALA 32 HB1 ALA 32 -2.791 3.985 6.566 233 HB2 ALA 32 HB2 ALA 32 -3.838 3.742 5.166 234 HB3 ALA 32 HB3 ALA 32 -2.428 2.707 5.400 235 H TYR 33 H TYR 33 -2.729 0.099 6.546 236 HA TYR 33 HA TYR 33 -1.942 0.032 9.400 237 HB2 TYR 33 HB2 TYR 33 -3.046 -2.327 7.800 238 HB3 TYR 33 HB3 TYR 33 -2.414 -2.423 9.442 239 HD1 TYR 33 HD1 TYR 33 -3.609 -1.092 11.279 240 HD2 TYR 33 HD2 TYR 33 -5.351 -1.768 7.436 241 HE1 TYR 33 HE1 TYR 33 -5.828 -0.603 12.198 242 HE2 TYR 33 HE2 TYR 33 -7.572 -1.275 8.360 243 HH TYR 33 HH TYR 33 -8.053 0.175 11.372 244 H VAL 34 H VAL 34 -0.075 -0.942 9.896 245 HA VAL 34 HA VAL 34 1.838 -1.717 7.781 246 HB VAL 34 HB VAL 34 2.354 -1.015 10.723 247 HG11 VAL 34 HG11 VAL 34 4.305 -1.350 8.411 248 HG12 VAL 34 HG12 VAL 34 4.078 -2.487 9.746 249 HG13 VAL 34 HG13 VAL 34 4.722 -0.877 10.057 250 HG21 VAL 34 HG21 VAL 34 1.514 0.970 9.528 251 HG22 VAL 34 HG22 VAL 34 2.731 0.753 8.269 252 HG23 VAL 34 HG23 VAL 34 3.228 1.163 9.913 253 H VAL 35 H VAL 35 2.350 -3.915 7.656 254 HA VAL 35 HA VAL 35 1.617 -5.682 9.943 255 HB VAL 35 HB VAL 35 0.937 -7.454 8.275 256 HG11 VAL 35 HG11 VAL 35 -0.759 -6.174 9.498 257 HG12 VAL 35 HG12 VAL 35 -1.324 -6.547 7.870 258 HG13 VAL 35 HG13 VAL 35 -0.746 -4.921 8.252 259 HG21 VAL 35 HG21 VAL 35 2.057 -6.572 6.261 260 HG22 VAL 35 HG22 VAL 35 0.992 -5.165 6.259 261 HG23 VAL 35 HG23 VAL 35 0.328 -6.775 5.962 262 H SER 36 H SER 36 2.675 -7.732 10.033 263 HA SER 36 HA SER 36 5.159 -8.062 8.440 264 HB2 SER 36 HB2 SER 36 5.821 -7.400 10.717 265 HB3 SER 36 HB3 SER 36 4.788 -8.646 11.415 266 HG SER 36 HG SER 36 7.233 -8.928 10.032 267 H TYR 37 H TYR 37 5.271 -10.018 7.430 268 HA TYR 37 HA TYR 37 3.742 -12.345 8.254 269 HB2 TYR 37 HB2 TYR 37 2.372 -12.508 6.196 270 HB3 TYR 37 HB3 TYR 37 1.979 -11.053 7.091 271 HD1 TYR 37 HD2 TYR 37 2.659 -8.806 6.205 272 HD2 TYR 37 HD1 TYR 37 3.325 -12.365 3.927 273 HE1 TYR 37 HE2 TYR 37 3.003 -7.454 4.190 274 HE2 TYR 37 HE1 TYR 37 3.674 -11.006 1.909 275 HH TYR 37 HH TYR 37 4.091 -7.600 2.026 276 H THR 38 H THR 38 4.152 -14.208 6.887 277 HA THR 38 HA THR 38 6.696 -14.025 5.363 278 HB THR 38 HB THR 38 5.562 -16.543 6.670 279 HG1 THR 38 HG1 THR 38 7.043 -16.175 8.311 280 HG21 THR 38 HG21 THR 38 8.315 -15.927 5.520 281 HG22 THR 38 HG22 THR 38 7.104 -16.969 4.769 282 HG23 THR 38 HG23 THR 38 7.843 -17.439 6.302 283 HA PRO 39 HA PRO 39 3.777 -14.586 1.877 284 HB2 PRO 39 HB2 PRO 39 5.836 -15.085 -0.008 285 HB3 PRO 39 HB3 PRO 39 5.144 -13.510 0.390 286 HG2 PRO 39 HG2 PRO 39 7.636 -14.820 1.433 287 HG3 PRO 39 HG3 PRO 39 7.364 -13.119 1.004 288 HD2 PRO 39 HD2 PRO 39 7.416 -13.886 3.566 289 HD3 PRO 39 HD3 PRO 39 6.233 -12.671 3.030 290 H THR 40 H THR 40 2.679 -16.337 1.312 291 HA THR 40 HA THR 40 3.237 -18.952 2.216 292 HB THR 40 HB THR 40 1.190 -19.632 0.954 293 HG1 THR 40 HG1 THR 40 0.364 -17.218 0.093 294 HG21 THR 40 HG21 THR 40 -0.405 -18.166 2.102 295 HG22 THR 40 HG22 THR 40 0.863 -16.975 2.391 296 HG23 THR 40 HG23 THR 40 0.941 -18.557 3.174 297 H ASN 41 H ASN 41 4.073 -17.436 -0.804 298 HA ASN 41 HA ASN 41 4.526 -19.670 -2.451 299 HB2 ASN 41 HB2 ASN 41 4.458 -17.242 -3.142 300 HB3 ASN 41 HB3 ASN 41 6.037 -17.020 -2.402 301 HD21 ASN 41 HD21 ASN 41 7.076 -16.455 -4.289 302 HD22 ASN 41 HD22 ASN 41 7.315 -17.541 -5.610 303 H GLY 42 H GLY 42 6.093 -18.957 0.464 304 HA2 GLY 42 HA2 GLY 42 7.843 -20.057 1.516 305 HA3 GLY 42 HA3 GLY 42 8.304 -20.788 -0.014 306 H GLY 43 H GLY 43 8.009 -17.490 1.285 307 HA2 GLY 43 HA2 GLY 43 10.664 -16.791 0.112 308 HA3 GLY 43 HA3 GLY 43 9.283 -15.706 0.106 309 H GLN 44 H GLN 44 11.637 -14.824 1.078 310 HA GLN 44 HA GLN 44 12.004 -14.976 3.865 311 HB2 GLN 44 HB2 GLN 44 13.260 -12.800 3.587 312 HB3 GLN 44 HB3 GLN 44 13.762 -14.084 2.495 313 HG2 GLN 44 HG2 GLN 44 12.389 -13.030 0.684 314 HG3 GLN 44 HG3 GLN 44 12.017 -11.702 1.783 315 HE21 GLN 44 HE21 GLN 44 12.988 -10.225 0.336 316 HE22 GLN 44 HE22 GLN 44 14.700 -10.105 0.168 317 H ARG 45 H ARG 45 11.114 -13.920 5.590 318 HA ARG 45 HA ARG 45 8.462 -13.036 5.463 319 HB2 ARG 45 HB2 ARG 45 9.410 -14.012 7.492 320 HB3 ARG 45 HB3 ARG 45 10.528 -12.663 7.671 321 HG2 ARG 45 HG2 ARG 45 8.621 -11.135 8.087 322 HG3 ARG 45 HG3 ARG 45 7.495 -12.482 7.895 323 HD2 ARG 45 HD2 ARG 45 9.634 -12.269 10.047 324 HD3 ARG 45 HD3 ARG 45 7.917 -11.917 10.270 325 HE ARG 45 HE ARG 45 8.276 -14.549 9.261 326 HH11 ARG 45 HH11 ARG 45 8.553 -12.742 12.200 327 HH12 ARG 45 HH12 ARG 45 8.331 -14.135 13.195 328 HH21 ARG 45 HH21 ARG 45 7.977 -16.304 10.554 329 HH22 ARG 45 HH22 ARG 45 8.004 -16.130 12.271 330 H VAL 46 H VAL 46 7.583 -11.169 4.928 331 HA VAL 46 HA VAL 46 9.154 -8.745 4.524 332 HB VAL 46 HB VAL 46 6.176 -9.224 4.026 333 HG11 VAL 46 HG11 VAL 46 6.737 -6.819 4.176 334 HG12 VAL 46 HG12 VAL 46 6.334 -7.254 2.516 335 HG13 VAL 46 HG13 VAL 46 8.021 -7.025 2.978 336 HG21 VAL 46 HG21 VAL 46 8.490 -9.455 2.055 337 HG22 VAL 46 HG22 VAL 46 6.776 -9.616 1.665 338 HG23 VAL 46 HG23 VAL 46 7.554 -10.804 2.709 339 H ASP 47 H ASP 47 9.496 -7.492 6.255 340 HA ASP 47 HA ASP 47 7.572 -7.407 8.507 341 HB2 ASP 47 HB2 ASP 47 10.524 -6.653 8.390 342 HB3 ASP 47 HB3 ASP 47 9.503 -6.502 9.820 343 H HIS 48 H HIS 48 6.689 -5.526 9.171 344 HA HIS 48 HA HIS 48 5.842 -3.436 9.133 345 HB2 HIS 48 HB2 HIS 48 8.732 -2.734 8.465 346 HB3 HIS 48 HB3 HIS 48 7.505 -1.540 8.884 347 HD1 HIS 48 HD1 HIS 48 8.876 -0.845 10.969 348 HD2 HIS 48 HD2 HIS 48 7.595 -4.791 11.046 349 HE1 HIS 48 HE1 HIS 48 9.250 -1.618 13.318 350 HE2 HIS 48 HE2 HIS 48 8.221 -3.904 13.386 351 H HIS 49 H HIS 49 5.387 -4.891 6.800 352 HA HIS 49 HA HIS 49 5.771 -3.553 4.358 353 HB2 HIS 49 HB2 HIS 49 5.031 -5.915 4.514 354 HB3 HIS 49 HB3 HIS 49 3.483 -5.399 5.169 355 HD2 HIS 49 HD2 HIS 49 1.655 -4.370 3.275 356 HE1 HIS 49 HE1 HIS 49 4.050 -5.323 -0.081 357 HE2 HIS 49 HE2 HIS 49 1.833 -4.375 0.684 358 H LYS 50 H LYS 50 4.831 -1.833 3.447 359 HA LYS 50 HA LYS 50 2.340 -0.684 4.555 360 HB2 LYS 50 HB2 LYS 50 4.863 0.830 3.738 361 HB3 LYS 50 HB3 LYS 50 3.335 1.587 4.186 362 HG2 LYS 50 HG2 LYS 50 3.523 0.694 6.462 363 HG3 LYS 50 HG3 LYS 50 5.021 -0.142 6.035 364 HD2 LYS 50 HD2 LYS 50 6.094 2.067 5.583 365 HD3 LYS 50 HD3 LYS 50 4.597 2.878 6.062 366 HE2 LYS 50 HE2 LYS 50 6.228 2.887 7.902 367 HE3 LYS 50 HE3 LYS 50 4.818 1.924 8.337 368 HZ1 LYS 50 HZ1 LYS 50 6.794 0.785 8.991 369 HZ2 LYS 50 HZ2 LYS 50 7.454 0.908 7.443 370 HZ3 LYS 50 HZ3 LYS 50 6.106 -0.072 7.701 371 H TRP 51 H TRP 51 1.246 0.222 1.259 372 HA TRP 51 HA TRP 51 0.729 -0.372 4.126 373 HB2 TRP 51 HB2 TRP 51 -0.722 1.612 2.312 374 HB3 TRP 51 HB3 TRP 51 -1.146 1.271 3.987 375 HD1 TRP 51 HD1 TRP 51 1.559 3.021 1.883 376 HE1 TRP 51 HE1 TRP 51 2.824 4.641 3.396 377 HE3 TRP 51 HE3 TRP 51 -0.494 1.749 6.408 378 HZ2 TRP 51 HZ2 TRP 51 2.964 5.341 6.107 379 HZ3 TRP 51 HZ3 TRP 51 0.263 2.957 8.420 380 HH2 TRP 51 HH2 TRP 51 1.960 4.720 8.271 381 H VAL 52 H VAL 52 -1.012 -1.537 4.685 382 HA VAL 52 HA VAL 52 -2.840 -2.597 2.586 383 HB VAL 52 HB VAL 52 -3.360 -4.514 4.092 384 HG11 VAL 52 HG11 VAL 52 -1.674 -4.822 2.329 385 HG12 VAL 52 HG12 VAL 52 -1.293 -5.811 3.739 386 HG13 VAL 52 HG13 VAL 52 -0.393 -4.319 3.439 387 HG21 VAL 52 HG21 VAL 52 -1.935 -5.042 6.054 388 HG22 VAL 52 HG22 VAL 52 -2.799 -3.521 6.280 389 HG23 VAL 52 HG23 VAL 52 -1.086 -3.506 5.856 390 H ILE 53 H ILE 53 -5.023 -2.132 2.874 391 HA ILE 53 HA ILE 53 -5.661 -0.378 5.198 392 HB ILE 53 HB ILE 53 -7.505 0.557 3.909 393 HG12 ILE 53 HG12 ILE 53 -6.667 -1.335 1.666 394 HG13 ILE 53 HG13 ILE 53 -8.122 -1.495 2.637 395 HG21 ILE 53 HG21 ILE 53 -5.306 1.622 3.643 396 HG22 ILE 53 HG22 ILE 53 -6.225 1.741 2.142 397 HG23 ILE 53 HG23 ILE 53 -4.926 0.555 2.287 398 HD11 ILE 53 HD11 ILE 53 -8.619 -0.598 0.449 399 HD12 ILE 53 HD12 ILE 53 -7.503 0.741 0.708 400 HD13 ILE 53 HD13 ILE 53 -8.967 0.610 1.686 401 H GLN 54 H GLN 54 -7.949 -0.532 5.957 402 HA GLN 54 HA GLN 54 -8.628 -2.902 7.118 403 HB2 GLN 54 HB2 GLN 54 -9.496 -0.561 7.575 404 HB3 GLN 54 HB3 GLN 54 -10.621 -0.777 6.238 405 HG2 GLN 54 HG2 GLN 54 -11.696 -2.643 7.447 406 HG3 GLN 54 HG3 GLN 54 -10.554 -2.437 8.778 407 HE21 GLN 54 HE21 GLN 54 -12.193 -1.957 10.266 408 HE22 GLN 54 HE22 GLN 54 -13.078 -0.477 10.233 409 H GLU 55 H GLU 55 -9.537 -1.921 3.823 410 HA GLU 55 HA GLU 55 -11.641 -3.825 3.416 411 HB2 GLU 55 HB2 GLU 55 -10.059 -2.326 1.300 412 HB3 GLU 55 HB3 GLU 55 -11.693 -2.976 1.151 413 HG2 GLU 55 HG2 GLU 55 -10.835 -0.656 2.922 414 HG3 GLU 55 HG3 GLU 55 -11.675 -0.521 1.381 415 H GLU 56 H GLU 56 -8.227 -4.228 3.336 416 HA GLU 56 HA GLU 56 -8.218 -6.360 1.314 417 HB2 GLU 56 HB2 GLU 56 -6.113 -4.741 2.719 418 HB3 GLU 56 HB3 GLU 56 -5.650 -6.386 2.328 419 HG2 GLU 56 HG2 GLU 56 -4.882 -5.064 0.543 420 HG3 GLU 56 HG3 GLU 56 -6.290 -5.921 -0.064 421 H ILE 57 H ILE 57 -8.876 -6.234 4.626 422 HA ILE 57 HA ILE 57 -7.449 -8.726 5.289 423 HB ILE 57 HB ILE 57 -8.550 -6.475 7.013 424 HG12 ILE 57 HG12 ILE 57 -6.114 -6.589 7.914 425 HG13 ILE 57 HG13 ILE 57 -5.766 -7.663 6.573 426 HG21 ILE 57 HG21 ILE 57 -9.246 -8.514 8.155 427 HG22 ILE 57 HG22 ILE 57 -7.916 -7.764 9.039 428 HG23 ILE 57 HG23 ILE 57 -7.613 -9.178 8.028 429 HD11 ILE 57 HD11 ILE 57 -5.025 -5.441 6.124 430 HD12 ILE 57 HD12 ILE 57 -6.644 -4.800 6.397 431 HD13 ILE 57 HD13 ILE 57 -6.334 -5.866 5.025 432 H LYS 58 H LYS 58 -8.468 -10.557 5.725 433 HA LYS 58 HA LYS 58 -11.097 -11.118 4.963 434 HB2 LYS 58 HB2 LYS 58 -9.248 -12.754 4.961 435 HB3 LYS 58 HB3 LYS 58 -9.205 -12.739 6.718 436 HG2 LYS 58 HG2 LYS 58 -10.320 -14.746 5.955 437 HG3 LYS 58 HG3 LYS 58 -11.503 -13.707 6.759 438 HD2 LYS 58 HD2 LYS 58 -12.295 -12.918 4.524 439 HD3 LYS 58 HD3 LYS 58 -11.129 -13.992 3.744 440 HE2 LYS 58 HE2 LYS 58 -12.265 -15.945 4.748 441 HE3 LYS 58 HE3 LYS 58 -13.436 -14.868 5.517 442 HZ1 LYS 58 HZ1 LYS 58 -14.330 -15.789 3.507 443 HZ2 LYS 58 HZ2 LYS 58 -13.024 -15.218 2.599 444 HZ3 LYS 58 HZ3 LYS 58 -14.109 -14.126 3.296 445 H ASP 59 H ASP 59 -9.743 -10.637 8.210 446 HA ASP 59 HA ASP 59 -12.170 -11.439 9.562 447 HB2 ASP 59 HB2 ASP 59 -9.880 -11.855 10.495 448 HB3 ASP 59 HB3 ASP 59 -9.699 -10.123 10.757 449 H ALA 60 H ALA 60 -11.230 -8.496 8.080 450 HA ALA 60 HA ALA 60 -11.044 -6.491 9.744 451 HB1 ALA 60 HB1 ALA 60 -11.050 -6.280 7.294 452 HB2 ALA 60 HB2 ALA 60 -11.964 -4.980 8.060 453 HB3 ALA 60 HB3 ALA 60 -12.815 -6.323 7.291 454 H GLY 61 H GLY 61 -14.420 -7.196 8.600 455 HA2 GLY 61 HA2 GLY 61 -16.425 -7.138 9.718 456 HA3 GLY 61 HA3 GLY 61 -15.494 -7.411 11.179 457 H ASP 62 H ASP 62 -14.969 -4.555 9.278 458 HA ASP 62 HA ASP 62 -15.249 -2.357 9.553 459 HB2 ASP 62 HB2 ASP 62 -17.650 -2.746 9.594 460 HB3 ASP 62 HB3 ASP 62 -17.601 -3.209 11.283 461 H LYS 63 H LYS 63 -14.038 -4.317 11.971 462 HA LYS 63 HA LYS 63 -13.765 -2.333 14.094 463 HB2 LYS 63 HB2 LYS 63 -12.643 -3.943 15.419 464 HB3 LYS 63 HB3 LYS 63 -13.856 -4.866 14.547 465 HG2 LYS 63 HG2 LYS 63 -12.200 -5.814 13.081 466 HG3 LYS 63 HG3 LYS 63 -10.958 -4.707 13.663 467 HD2 LYS 63 HD2 LYS 63 -11.005 -5.791 15.879 468 HD3 LYS 63 HD3 LYS 63 -12.282 -6.885 15.336 469 HE2 LYS 63 HE2 LYS 63 -10.746 -7.861 13.672 470 HE3 LYS 63 HE3 LYS 63 -9.489 -6.725 14.155 471 HZ1 LYS 63 HZ1 LYS 63 -10.675 -8.664 16.043 472 HZ2 LYS 63 HZ2 LYS 63 -9.244 -7.771 16.213 473 HZ3 LYS 63 HZ3 LYS 63 -9.343 -9.024 15.075 474 H THR 64 H THR 64 -11.786 -1.404 14.801 475 HA THR 64 HA THR 64 -9.781 -0.882 12.733 476 HB THR 64 HB THR 64 -9.901 0.135 15.615 477 HG1 THR 64 HG1 THR 64 -10.497 2.128 14.402 478 HG21 THR 64 HG21 THR 64 -8.258 1.843 14.853 479 HG22 THR 64 HG22 THR 64 -8.163 1.043 13.282 480 HG23 THR 64 HG23 THR 64 -7.592 0.211 14.731 481 H LEU 65 H LEU 65 -8.089 -2.178 12.473 482 HA LEU 65 HA LEU 65 -7.423 -4.351 14.223 483 HB2 LEU 65 HB2 LEU 65 -5.898 -3.278 11.825 484 HB3 LEU 65 HB3 LEU 65 -5.718 -4.865 12.542 485 HG LEU 65 HG LEU 65 -8.266 -3.890 11.175 486 HD11 LEU 65 HD11 LEU 65 -7.636 -5.317 9.287 487 HD12 LEU 65 HD12 LEU 65 -6.096 -5.689 10.067 488 HD13 LEU 65 HD13 LEU 65 -6.451 -4.037 9.552 489 HD21 LEU 65 HD21 LEU 65 -8.696 -5.641 12.840 490 HD22 LEU 65 HD22 LEU 65 -7.472 -6.675 12.100 491 HD23 LEU 65 HD23 LEU 65 -8.938 -6.264 11.207 492 H GLN 66 H GLN 66 -5.940 -4.368 15.857 493 HA GLN 66 HA GLN 66 -4.369 -1.901 16.389 494 HB2 GLN 66 HB2 GLN 66 -5.537 -3.944 18.335 495 HB3 GLN 66 HB3 GLN 66 -4.650 -2.488 18.794 496 HG2 GLN 66 HG2 GLN 66 -6.407 -1.077 17.833 497 HG3 GLN 66 HG3 GLN 66 -7.267 -2.504 17.255 498 HE21 GLN 66 HE21 GLN 66 -9.115 -1.961 18.373 499 HE22 GLN 66 HE22 GLN 66 -9.244 -2.069 20.090 500 HA PRO 67 HA PRO 67 -0.344 -3.973 16.437 501 HB2 PRO 67 HB2 PRO 67 -0.180 -2.911 19.275 502 HB3 PRO 67 HB3 PRO 67 1.058 -2.910 18.005 503 HG2 PRO 67 HG2 PRO 67 -0.317 -0.690 18.485 504 HG3 PRO 67 HG3 PRO 67 0.010 -1.172 16.806 505 HD2 PRO 67 HD2 PRO 67 -2.554 -1.363 18.371 506 HD3 PRO 67 HD3 PRO 67 -2.309 -1.032 16.640 507 H GLY 68 H GLY 68 -0.430 -6.144 16.471 508 HA2 GLY 68 HA2 GLY 68 0.160 -8.123 17.801 509 HA3 GLY 68 HA3 GLY 68 -1.012 -7.613 19.004 510 H ASP 69 H ASP 69 -2.808 -6.921 16.459 511 HA ASP 69 HA ASP 69 -4.375 -9.292 16.495 512 HB2 ASP 69 HB2 ASP 69 -4.429 -6.781 14.800 513 HB3 ASP 69 HB3 ASP 69 -5.473 -8.132 14.383 514 H GLN 70 H GLN 70 -4.288 -11.126 15.326 515 HA GLN 70 HA GLN 70 -2.458 -11.429 13.043 516 HB2 GLN 70 HB2 GLN 70 -4.319 -13.449 14.383 517 HB3 GLN 70 HB3 GLN 70 -3.213 -13.827 13.067 518 HG2 GLN 70 HG2 GLN 70 -2.413 -12.890 15.838 519 HG3 GLN 70 HG3 GLN 70 -2.351 -14.546 15.242 520 HE21 GLN 70 HE21 GLN 70 -0.835 -11.418 15.146 521 HE22 GLN 70 HE22 GLN 70 0.609 -11.926 14.348 522 H VAL 71 H VAL 71 -3.167 -11.075 10.974 523 HA VAL 71 HA VAL 71 -6.057 -11.217 10.345 524 HB VAL 71 HB VAL 71 -5.791 -9.204 8.897 525 HG11 VAL 71 HG11 VAL 71 -6.640 -8.889 11.187 526 HG12 VAL 71 HG12 VAL 71 -5.686 -7.492 10.689 527 HG13 VAL 71 HG13 VAL 71 -4.992 -8.685 11.791 528 HG21 VAL 71 HG21 VAL 71 -3.374 -9.341 8.399 529 HG22 VAL 71 HG22 VAL 71 -2.987 -8.967 10.079 530 HG23 VAL 71 HG23 VAL 71 -3.773 -7.754 9.065 531 H ILE 72 H ILE 72 -6.571 -11.935 8.248 532 HA ILE 72 HA ILE 72 -4.391 -13.206 6.696 533 HB ILE 72 HB ILE 72 -7.411 -13.634 6.480 534 HG12 ILE 72 HG12 ILE 72 -6.552 -14.487 8.638 535 HG13 ILE 72 HG13 ILE 72 -7.052 -15.810 7.596 536 HG21 ILE 72 HG21 ILE 72 -5.145 -15.187 5.161 537 HG22 ILE 72 HG22 ILE 72 -6.286 -14.115 4.346 538 HG23 ILE 72 HG23 ILE 72 -6.860 -15.609 5.084 539 HD11 ILE 72 HD11 ILE 72 -4.212 -14.934 8.103 540 HD12 ILE 72 HD12 ILE 72 -4.717 -16.273 7.065 541 HD13 ILE 72 HD13 ILE 72 -5.027 -16.334 8.799 542 H LEU 73 H LEU 73 -3.932 -12.542 4.633 543 HA LEU 73 HA LEU 73 -5.187 -10.075 3.659 544 HB2 LEU 73 HB2 LEU 73 -2.719 -11.561 2.668 545 HB3 LEU 73 HB3 LEU 73 -3.269 -9.991 2.091 546 HG LEU 73 HG LEU 73 -2.241 -10.614 4.900 547 HD11 LEU 73 HD11 LEU 73 -1.025 -8.950 2.675 548 HD12 LEU 73 HD12 LEU 73 -0.452 -10.518 3.256 549 HD13 LEU 73 HD13 LEU 73 -0.378 -9.111 4.315 550 HD21 LEU 73 HD21 LEU 73 -2.462 -8.195 5.366 551 HD22 LEU 73 HD22 LEU 73 -4.025 -8.941 5.045 552 HD23 LEU 73 HD23 LEU 73 -3.248 -7.961 3.800 553 H GLU 74 H GLU 74 -6.976 -10.357 2.494 554 HA GLU 74 HA GLU 74 -7.559 -12.589 0.783 555 HB2 GLU 74 HB2 GLU 74 -8.899 -9.854 0.959 556 HB3 GLU 74 HB3 GLU 74 -9.539 -11.240 0.073 557 HG2 GLU 74 HG2 GLU 74 -9.695 -12.502 2.197 558 HG3 GLU 74 HG3 GLU 74 -9.112 -11.083 3.071 559 H ALA 75 H ALA 75 -6.480 -9.239 0.206 560 HA ALA 75 HA ALA 75 -6.096 -9.704 -2.666 561 HB1 ALA 75 HB1 ALA 75 -5.463 -7.262 -0.969 562 HB2 ALA 75 HB2 ALA 75 -6.941 -7.513 -1.903 563 HB3 ALA 75 HB3 ALA 75 -5.392 -7.344 -2.733 564 H SER 76 H SER 76 -3.919 -8.857 -3.547 565 HA SER 76 HA SER 76 -1.579 -9.398 -1.866 566 HB2 SER 76 HB2 SER 76 -2.235 -11.611 -2.855 567 HB3 SER 76 HB3 SER 76 -2.102 -10.920 -4.469 568 HG SER 76 HG SER 76 0.014 -10.993 -4.334 569 H HIS 77 H HIS 77 -0.152 -7.766 -2.291 570 HA HIS 77 HA HIS 77 -0.303 -6.162 -4.712 571 HB2 HIS 77 HB2 HIS 77 1.618 -5.954 -2.349 572 HB3 HIS 77 HB3 HIS 77 1.377 -4.737 -3.598 573 HD2 HIS 77 HD2 HIS 77 -2.094 -5.150 -3.204 574 HE1 HIS 77 HE1 HIS 77 -1.076 -3.195 0.407 575 HE2 HIS 77 HE2 HIS 77 -2.901 -3.592 -1.297 576 H MET 78 H MET 78 1.481 -8.877 -3.606 577 HA MET 78 HA MET 78 3.029 -9.078 -6.056 578 HB2 MET 78 HB2 MET 78 5.217 -9.396 -4.833 579 HB3 MET 78 HB3 MET 78 4.595 -7.755 -4.752 580 HG2 MET 78 HG2 MET 78 3.768 -8.168 -2.468 581 HG3 MET 78 HG3 MET 78 4.397 -9.819 -2.547 582 HE1 MET 78 HE1 MET 78 5.699 -9.264 -0.221 583 HE2 MET 78 HE2 MET 78 5.122 -7.597 -0.260 584 HE3 MET 78 HE3 MET 78 6.841 -7.930 -0.057 585 H LYS 79 H LYS 79 3.754 -11.240 -6.438 586 HA LYS 79 HA LYS 79 1.965 -13.233 -5.771 587 HB2 LYS 79 HB2 LYS 79 3.605 -14.835 -6.795 588 HB3 LYS 79 HB3 LYS 79 3.303 -13.396 -7.761 589 HG2 LYS 79 HG2 LYS 79 5.447 -12.423 -6.879 590 HG3 LYS 79 HG3 LYS 79 5.751 -13.959 -6.064 591 HD2 LYS 79 HD2 LYS 79 7.015 -14.026 -8.083 592 HD3 LYS 79 HD3 LYS 79 5.629 -15.079 -8.356 593 HE2 LYS 79 HE2 LYS 79 5.823 -12.202 -9.329 594 HE3 LYS 79 HE3 LYS 79 6.217 -13.610 -10.306 595 HZ1 LYS 79 HZ1 LYS 79 3.899 -14.353 -10.025 596 HZ2 LYS 79 HZ2 LYS 79 4.020 -12.860 -10.809 597 HZ3 LYS 79 HZ3 LYS 79 3.555 -12.920 -9.192 598 H GLY 80 H GLY 80 1.604 -14.524 -4.080 599 HA2 GLY 80 HA2 GLY 80 2.242 -16.127 -2.421 600 HA3 GLY 80 HA3 GLY 80 3.767 -15.291 -2.206 601 H MET 81 H MET 81 1.904 -12.723 -2.224 602 HA MET 81 HA MET 81 1.923 -12.350 0.606 603 HB2 MET 81 HB2 MET 81 2.318 -10.509 -0.945 604 HB3 MET 81 HB3 MET 81 0.722 -10.694 -1.646 605 HG2 MET 81 HG2 MET 81 -0.299 -9.956 0.450 606 HG3 MET 81 HG3 MET 81 1.305 -9.798 1.180 607 HE1 MET 81 HE1 MET 81 0.790 -7.257 1.824 608 HE2 MET 81 HE2 MET 81 -0.824 -7.421 1.125 609 HE3 MET 81 HE3 MET 81 0.206 -6.063 0.666 610 H LYS 82 H LYS 82 -0.749 -12.984 -1.698 611 HA LYS 82 HA LYS 82 -2.882 -12.848 0.171 612 HB2 LYS 82 HB2 LYS 82 -3.291 -12.778 -2.265 613 HB3 LYS 82 HB3 LYS 82 -2.740 -14.444 -2.424 614 HG2 LYS 82 HG2 LYS 82 -4.636 -15.197 -1.012 615 HG3 LYS 82 HG3 LYS 82 -5.181 -13.524 -0.863 616 HD2 LYS 82 HD2 LYS 82 -5.574 -13.451 -3.319 617 HD3 LYS 82 HD3 LYS 82 -5.037 -15.131 -3.450 618 HE2 LYS 82 HE2 LYS 82 -6.918 -15.837 -1.991 619 HE3 LYS 82 HE3 LYS 82 -7.446 -14.157 -1.862 620 HZ1 LYS 82 HZ1 LYS 82 -7.376 -15.803 -4.322 621 HZ2 LYS 82 HZ2 LYS 82 -7.770 -14.157 -4.279 622 HZ3 LYS 82 HZ3 LYS 82 -8.747 -15.282 -3.485 623 H GLY 83 H GLY 83 -3.694 -14.287 1.616 624 HA2 GLY 83 HA2 GLY 83 -4.281 -16.395 2.486 625 HA3 GLY 83 HA3 GLY 83 -3.055 -17.159 1.486 626 H ALA 84 H ALA 84 -1.466 -14.608 2.735 627 HA ALA 84 HA ALA 84 -0.028 -16.205 4.659 628 HB1 ALA 84 HB1 ALA 84 1.488 -14.275 4.817 629 HB2 ALA 84 HB2 ALA 84 0.362 -13.293 3.872 630 HB3 ALA 84 HB3 ALA 84 1.159 -14.681 3.130 631 H THR 85 H THR 85 0.081 -15.945 6.853 632 HA THR 85 HA THR 85 -2.014 -14.414 8.227 633 HB THR 85 HB THR 85 0.126 -16.221 9.458 634 HG1 THR 85 HG1 THR 85 -1.691 -17.719 9.587 635 HG21 THR 85 HG21 THR 85 -0.846 -14.619 11.094 636 HG22 THR 85 HG22 THR 85 -1.368 -16.269 11.439 637 HG23 THR 85 HG23 THR 85 -2.471 -15.145 10.644 638 H ALA 86 H ALA 86 -1.625 -12.401 8.911 639 HA ALA 86 HA ALA 86 1.148 -11.361 9.026 640 HB1 ALA 86 HB1 ALA 86 -0.110 -10.463 7.105 641 HB2 ALA 86 HB2 ALA 86 0.214 -9.189 8.279 642 HB3 ALA 86 HB3 ALA 86 -1.398 -9.905 8.178 643 H GLU 87 H GLU 87 1.530 -9.690 10.601 644 HA GLU 87 HA GLU 87 -0.442 -9.546 12.817 645 HB2 GLU 87 HB2 GLU 87 1.618 -10.787 13.483 646 HB3 GLU 87 HB3 GLU 87 2.603 -9.387 13.059 647 HG2 GLU 87 HG2 GLU 87 1.512 -8.059 14.821 648 HG3 GLU 87 HG3 GLU 87 0.440 -9.410 15.199 649 H ILE 88 H ILE 88 -1.226 -7.567 13.136 650 HA ILE 88 HA ILE 88 -0.396 -5.245 11.749 651 HB ILE 88 HB ILE 88 -2.032 -5.362 14.327 652 HG12 ILE 88 HG12 ILE 88 -3.032 -6.794 12.550 653 HG13 ILE 88 HG13 ILE 88 -4.045 -5.405 12.919 654 HG21 ILE 88 HG21 ILE 88 -1.890 -3.170 12.207 655 HG22 ILE 88 HG22 ILE 88 -1.238 -3.080 13.846 656 HG23 ILE 88 HG23 ILE 88 -2.981 -3.185 13.598 657 HD11 ILE 88 HD11 ILE 88 -2.246 -5.702 10.521 658 HD12 ILE 88 HD12 ILE 88 -3.243 -4.291 10.888 659 HD13 ILE 88 HD13 ILE 88 -4.002 -5.846 10.550 660 H ASP 89 H ASP 89 1.612 -4.488 12.029 661 HA ASP 89 HA ASP 89 3.077 -4.457 14.506 662 HB2 ASP 89 HB2 ASP 89 4.265 -4.769 12.399 663 HB3 ASP 89 HB3 ASP 89 3.585 -3.289 11.732 664 H SER 90 H SER 90 1.191 -2.182 12.573 665 HA SER 90 HA SER 90 0.868 -0.319 14.756 666 HB2 SER 90 HB2 SER 90 3.038 0.487 13.892 667 HB3 SER 90 HB3 SER 90 2.377 0.612 12.265 668 HG SER 90 HG SER 90 1.896 2.584 12.846 669 H ALA 91 H ALA 91 -0.808 1.197 14.406 670 HA ALA 91 HA ALA 91 -2.462 0.853 11.950 671 HB1 ALA 91 HB1 ALA 91 -3.434 1.309 14.807 672 HB2 ALA 91 HB2 ALA 91 -3.523 -0.209 13.910 673 HB3 ALA 91 HB3 ALA 91 -4.454 1.185 13.369 674 H GLU 92 H GLU 92 -2.993 2.744 10.895 675 HA GLU 92 HA GLU 92 -2.653 5.351 12.235 676 HB2 GLU 92 HB2 GLU 92 -0.458 4.758 11.182 677 HB3 GLU 92 HB3 GLU 92 -1.257 4.593 9.626 678 HG2 GLU 92 HG2 GLU 92 -0.049 6.725 9.802 679 HG3 GLU 92 HG3 GLU 92 -1.782 6.980 9.595 680 H LYS 93 H LYS 93 -3.979 6.941 11.566 681 HA LYS 93 HA LYS 93 -5.885 6.371 9.390 682 HB2 LYS 93 HB2 LYS 93 -6.717 7.148 11.665 683 HB3 LYS 93 HB3 LYS 93 -5.916 8.687 11.376 684 HG2 LYS 93 HG2 LYS 93 -8.244 8.945 10.821 685 HG3 LYS 93 HG3 LYS 93 -7.318 8.989 9.318 686 HD2 LYS 93 HD2 LYS 93 -9.190 7.596 8.842 687 HD3 LYS 93 HD3 LYS 93 -7.832 6.483 9.089 688 HE2 LYS 93 HE2 LYS 93 -9.887 5.686 10.203 689 HE3 LYS 93 HE3 LYS 93 -8.604 6.013 11.367 690 HZ1 LYS 93 HZ1 LYS 93 -9.657 8.098 11.916 691 HZ2 LYS 93 HZ2 LYS 93 -10.777 6.847 12.091 692 HZ3 LYS 93 HZ3 LYS 93 -10.847 7.861 10.746 693 H THR 94 H THR 94 -4.741 6.791 7.527 694 HA THR 94 HA THR 94 -3.982 9.587 6.997 695 HB THR 94 HB THR 94 -1.852 8.528 7.461 696 HG1 THR 94 HG1 THR 94 -0.842 9.052 5.569 697 HG21 THR 94 HG21 THR 94 -2.550 6.422 5.383 698 HG22 THR 94 HG22 THR 94 -2.414 6.155 7.125 699 HG23 THR 94 HG23 THR 94 -0.987 6.602 6.187 700 H THR 95 H THR 95 -4.119 10.180 4.783 701 HA THR 95 HA THR 95 -6.239 8.774 3.344 702 HB THR 95 HB THR 95 -4.840 11.397 2.634 703 HG1 THR 95 HG1 THR 95 -6.003 11.685 4.512 704 HG21 THR 95 HG21 THR 95 -7.405 10.174 1.519 705 HG22 THR 95 HG22 THR 95 -5.891 10.388 0.635 706 HG23 THR 95 HG23 THR 95 -6.813 11.798 1.160 707 H VAL 96 H VAL 96 -5.908 7.492 1.568 708 HA VAL 96 HA VAL 96 -3.131 7.144 0.605 709 HB VAL 96 HB VAL 96 -3.747 4.726 0.158 710 HG11 VAL 96 HG11 VAL 96 -3.881 5.570 3.081 711 HG12 VAL 96 HG12 VAL 96 -2.411 5.308 2.138 712 HG13 VAL 96 HG13 VAL 96 -3.480 3.952 2.492 713 HG21 VAL 96 HG21 VAL 96 -6.204 5.327 1.866 714 HG22 VAL 96 HG22 VAL 96 -5.689 3.719 1.340 715 HG23 VAL 96 HG23 VAL 96 -6.212 4.912 0.149 716 H TYR 97 H TYR 97 -2.848 7.230 -1.550 717 HA TYR 97 HA TYR 97 -5.188 7.724 -3.279 718 HB2 TYR 97 HB2 TYR 97 -2.325 8.753 -3.472 719 HB3 TYR 97 HB3 TYR 97 -3.523 8.971 -4.747 720 HD1 TYR 97 HD2 TYR 97 -5.563 10.366 -4.323 721 HD2 TYR 97 HD1 TYR 97 -2.384 10.169 -1.471 722 HE1 TYR 97 HE2 TYR 97 -6.440 12.370 -3.217 723 HE2 TYR 97 HE1 TYR 97 -3.269 12.183 -0.359 724 HH TYR 97 HH TYR 97 -6.362 13.430 -0.965 725 H MET 98 H MET 98 -5.513 6.614 -5.037 726 HA MET 98 HA MET 98 -3.753 4.444 -5.920 727 HB2 MET 98 HB2 MET 98 -6.248 4.151 -5.659 728 HB3 MET 98 HB3 MET 98 -6.499 5.365 -6.906 729 HG2 MET 98 HG2 MET 98 -5.411 3.913 -8.545 730 HG3 MET 98 HG3 MET 98 -5.105 2.713 -7.289 731 HE1 MET 98 HE1 MET 98 -7.817 4.457 -9.536 732 HE2 MET 98 HE2 MET 98 -8.378 4.926 -7.929 733 HE3 MET 98 HE3 MET 98 -9.313 3.782 -8.891 734 H VAL 99 H VAL 99 -2.249 4.869 -7.565 735 HA VAL 99 HA VAL 99 -2.618 7.293 -9.267 736 HB VAL 99 HB VAL 99 -0.205 7.862 -9.009 737 HG11 VAL 99 HG11 VAL 99 -0.324 8.840 -6.735 738 HG12 VAL 99 HG12 VAL 99 -1.709 7.811 -6.358 739 HG13 VAL 99 HG13 VAL 99 -1.844 9.048 -7.609 740 HG21 VAL 99 HG21 VAL 99 0.700 5.643 -8.406 741 HG22 VAL 99 HG22 VAL 99 -0.136 5.698 -6.853 742 HG23 VAL 99 HG23 VAL 99 1.166 6.844 -7.197 743 H ASP 100 H ASP 100 -1.253 7.427 -11.189 744 HA ASP 100 HA ASP 100 -0.205 4.862 -12.251 745 HB2 ASP 100 HB2 ASP 100 -2.233 5.291 -13.467 746 HB3 ASP 100 HB3 ASP 100 -1.848 7.000 -13.657 747 H TYR 101 H TYR 101 1.923 4.968 -12.579 748 HA TYR 101 HA TYR 101 3.248 7.480 -13.421 749 HB2 TYR 101 HB2 TYR 101 5.128 7.007 -11.879 750 HB3 TYR 101 HB3 TYR 101 3.627 7.215 -10.991 751 HD1 TYR 101 HD1 TYR 101 2.541 5.250 -9.876 752 HD2 TYR 101 HD2 TYR 101 6.298 4.829 -11.876 753 HE1 TYR 101 HE1 TYR 101 2.905 3.099 -8.759 754 HE2 TYR 101 HE2 TYR 101 6.654 2.671 -10.758 755 HH TYR 101 HH TYR 101 4.154 1.072 -8.995 756 H THR 102 H THR 102 5.641 6.903 -14.049 757 HA THR 102 HA THR 102 5.761 4.292 -15.477 758 HB THR 102 HB THR 102 7.355 6.805 -16.187 759 HG1 THR 102 HG1 THR 102 5.322 7.255 -16.826 760 HG21 THR 102 HG21 THR 102 7.907 5.561 -18.267 761 HG22 THR 102 HG22 THR 102 7.041 4.151 -17.656 762 HG23 THR 102 HG23 THR 102 8.500 4.711 -16.834 763 H SER 103 H SER 103 6.935 2.927 -14.267 764 HA SER 103 HA SER 103 8.851 3.420 -12.309 765 HB2 SER 103 HB2 SER 103 7.880 1.186 -12.545 766 HB3 SER 103 HB3 SER 103 8.582 0.992 -14.148 767 HG SER 103 HG SER 103 9.637 0.220 -11.928 768 H THR 104 H THR 104 10.554 4.705 -12.640 769 HA THR 104 HA THR 104 11.809 5.269 -15.109 770 HB THR 104 HB THR 104 13.443 6.594 -13.744 771 HG1 THR 104 HG1 THR 104 12.041 5.995 -11.387 772 HG21 THR 104 HG21 THR 104 11.814 8.158 -12.735 773 HG22 THR 104 HG22 THR 104 10.547 6.934 -12.848 774 HG23 THR 104 HG23 THR 104 11.251 7.616 -14.318 775 H THR 105 H THR 105 12.478 2.722 -12.841 776 HA THR 105 HA THR 105 15.202 2.262 -13.857 777 HB THR 105 HB THR 105 15.328 0.423 -12.213 778 HG1 THR 105 HG1 THR 105 13.604 -0.289 -11.153 779 HG21 THR 105 HG21 THR 105 14.222 2.977 -10.984 780 HG22 THR 105 HG22 THR 105 15.907 2.682 -11.419 781 HG23 THR 105 HG23 THR 105 15.153 1.741 -10.131 782 H SER 106 H SER 106 11.967 1.128 -14.476 783 HA SER 106 HA SER 106 12.927 -1.394 -15.748 784 HB2 SER 106 HB2 SER 106 10.142 -0.803 -14.642 785 HB3 SER 106 HB3 SER 106 10.718 -2.353 -15.259 786 HG SER 106 HG SER 106 11.841 -0.987 -13.036 787 H GLY 107 H GLY 107 11.335 1.606 -16.430 788 HA2 GLY 107 HA2 GLY 107 10.553 2.485 -18.425 789 HA3 GLY 107 HA3 GLY 107 10.827 0.941 -19.207 790 H GLU 108 H GLU 108 9.097 -0.036 -16.698 791 HA GLU 108 HA GLU 108 6.676 -0.431 -18.164 792 HB2 GLU 108 HB2 GLU 108 7.528 -2.171 -16.673 793 HB3 GLU 108 HB3 GLU 108 7.451 -1.087 -15.291 794 HG2 GLU 108 HG2 GLU 108 5.613 -2.670 -15.193 795 HG3 GLU 108 HG3 GLU 108 4.981 -1.047 -15.454 796 H LYS 109 H LYS 109 4.874 0.817 -18.183 797 HA LYS 109 HA LYS 109 4.436 2.967 -16.263 798 HB2 LYS 109 HB2 LYS 109 2.790 2.011 -18.644 799 HB3 LYS 109 HB3 LYS 109 2.319 3.354 -17.600 800 HG2 LYS 109 HG2 LYS 109 4.414 4.540 -18.202 801 HG3 LYS 109 HG3 LYS 109 4.832 3.223 -19.307 802 HD2 LYS 109 HD2 LYS 109 2.870 3.705 -20.687 803 HD3 LYS 109 HD3 LYS 109 2.302 4.908 -19.521 804 HE2 LYS 109 HE2 LYS 109 4.873 5.119 -21.135 805 HE3 LYS 109 HE3 LYS 109 3.362 5.955 -21.493 806 HZ1 LYS 109 HZ1 LYS 109 4.912 7.380 -20.316 807 HZ2 LYS 109 HZ2 LYS 109 4.971 6.294 -19.022 808 HZ3 LYS 109 HZ3 LYS 109 3.530 7.101 -19.377 809 H VAL 110 H VAL 110 3.614 2.523 -14.343 810 HA VAL 110 HA VAL 110 1.929 0.135 -13.878 811 HB VAL 110 HB VAL 110 3.490 1.850 -11.893 812 HG11 VAL 110 HG11 VAL 110 2.968 0.085 -10.218 813 HG12 VAL 110 HG12 VAL 110 1.930 -0.724 -11.394 814 HG13 VAL 110 HG13 VAL 110 1.505 0.885 -10.801 815 HG21 VAL 110 HG21 VAL 110 5.026 -0.080 -11.696 816 HG22 VAL 110 HG22 VAL 110 4.984 0.524 -13.354 817 HG23 VAL 110 HG23 VAL 110 4.110 -0.951 -12.930 818 H LYS 111 H LYS 111 -0.194 0.449 -13.616 819 HA LYS 111 HA LYS 111 -1.201 3.151 -12.916 820 HB2 LYS 111 HB2 LYS 111 -3.242 2.694 -14.250 821 HB3 LYS 111 HB3 LYS 111 -1.791 2.739 -15.234 822 HG2 LYS 111 HG2 LYS 111 -3.081 0.160 -14.300 823 HG3 LYS 111 HG3 LYS 111 -3.520 0.959 -15.809 824 HD2 LYS 111 HD2 LYS 111 -0.811 -0.216 -15.073 825 HD3 LYS 111 HD3 LYS 111 -1.948 -0.828 -16.281 826 HE2 LYS 111 HE2 LYS 111 -0.394 1.785 -16.406 827 HE3 LYS 111 HE3 LYS 111 -0.120 0.344 -17.384 828 HZ1 LYS 111 HZ1 LYS 111 -1.345 2.076 -18.581 829 HZ2 LYS 111 HZ2 LYS 111 -2.594 1.991 -17.448 830 HZ3 LYS 111 HZ3 LYS 111 -2.258 0.662 -18.432 831 H ASN 112 H ASN 112 -3.056 3.346 -11.685 832 HA ASN 112 HA ASN 112 -4.257 3.021 -9.794 833 HB2 ASN 112 HB2 ASN 112 -4.693 0.282 -11.054 834 HB3 ASN 112 HB3 ASN 112 -5.651 0.925 -9.723 835 HD21 ASN 112 HD21 ASN 112 -6.521 0.126 -12.391 836 HD22 ASN 112 HD22 ASN 112 -7.280 1.512 -13.080 837 H HIS 113 H HIS 113 -1.493 2.642 -9.448 838 HA HIS 113 HA HIS 113 -0.706 0.372 -7.999 839 HB2 HIS 113 HB2 HIS 113 0.926 1.902 -9.000 840 HB3 HIS 113 HB3 HIS 113 0.408 3.206 -7.933 841 HD2 HIS 113 HD2 HIS 113 1.685 3.305 -5.515 842 HE1 HIS 113 HE1 HIS 113 3.636 -0.433 -5.814 843 HE2 HIS 113 HE2 HIS 113 3.185 1.563 -4.331 844 H LYS 114 H LYS 114 -0.739 -0.174 -5.871 845 HA LYS 114 HA LYS 114 -1.936 1.613 -3.855 846 HB2 LYS 114 HB2 LYS 114 -2.950 -1.194 -4.508 847 HB3 LYS 114 HB3 LYS 114 -3.463 -0.248 -3.111 848 HG2 LYS 114 HG2 LYS 114 -4.476 1.429 -4.583 849 HG3 LYS 114 HG3 LYS 114 -3.905 0.551 -6.009 850 HD2 LYS 114 HD2 LYS 114 -5.305 -1.396 -5.353 851 HD3 LYS 114 HD3 LYS 114 -5.891 -0.497 -3.950 852 HE2 LYS 114 HE2 LYS 114 -6.927 1.171 -5.441 853 HE3 LYS 114 HE3 LYS 114 -6.303 0.310 -6.852 854 HZ1 LYS 114 HZ1 LYS 114 -8.577 -0.264 -6.470 855 HZ2 LYS 114 HZ2 LYS 114 -8.246 -0.727 -4.880 856 HZ3 LYS 114 HZ3 LYS 114 -7.613 -1.617 -6.164 857 H TRP 115 H TRP 115 -0.125 -0.089 -1.278 858 HA TRP 115 HA TRP 115 -1.539 2.276 -2.373 859 HB2 TRP 115 HB2 TRP 115 -1.357 1.212 0.467 860 HB3 TRP 115 HB3 TRP 115 -1.967 2.824 0.102 861 HD1 TRP 115 HD1 TRP 115 -3.162 -0.650 0.524 862 HE1 TRP 115 HE1 TRP 115 -5.588 -0.845 -0.282 863 HE3 TRP 115 HE3 TRP 115 -3.573 3.770 -2.054 864 HZ2 TRP 115 HZ2 TRP 115 -7.427 0.607 -1.817 865 HZ3 TRP 115 HZ3 TRP 115 -5.709 4.281 -3.170 866 HH2 TRP 115 HH2 TRP 115 -7.596 2.726 -3.049 867 H VAL 116 H VAL 116 -0.757 4.233 -2.270 868 HA VAL 116 HA VAL 116 1.635 4.897 -0.638 869 HB VAL 116 HB VAL 116 2.090 6.768 -2.269 870 HG11 VAL 116 HG11 VAL 116 2.161 3.989 -3.515 871 HG12 VAL 116 HG12 VAL 116 3.379 4.679 -2.441 872 HG13 VAL 116 HG13 VAL 116 3.122 5.377 -4.040 873 HG21 VAL 116 HG21 VAL 116 -0.163 6.999 -3.265 874 HG22 VAL 116 HG22 VAL 116 -0.011 5.412 -4.022 875 HG23 VAL 116 HG23 VAL 116 1.045 6.735 -4.527 876 H THR 117 H THR 117 1.446 6.868 0.567 877 HA THR 117 HA THR 117 -1.336 7.880 0.848 878 HB THR 117 HB THR 117 -0.805 8.586 3.085 879 HG1 THR 117 HG1 THR 117 1.835 7.745 3.067 880 HG21 THR 117 HG21 THR 117 -0.040 6.531 4.192 881 HG22 THR 117 HG22 THR 117 0.591 5.915 2.663 882 HG23 THR 117 HG23 THR 117 -1.147 6.136 2.878 883 H GLU 118 H GLU 118 -1.473 10.234 1.559 884 HA GLU 118 HA GLU 118 -0.376 12.112 -0.212 885 HB2 GLU 118 HB2 GLU 118 -2.425 12.491 1.126 886 HB3 GLU 118 HB3 GLU 118 -1.480 12.526 2.604 887 HG2 GLU 118 HG2 GLU 118 -2.184 14.776 1.891 888 HG3 GLU 118 HG3 GLU 118 -0.430 14.618 1.942 889 H ASP 119 H ASP 119 0.871 10.856 2.829 890 HA ASP 119 HA ASP 119 2.971 12.705 3.327 891 HB2 ASP 119 HB2 ASP 119 2.066 11.145 5.022 892 HB3 ASP 119 HB3 ASP 119 2.681 9.775 4.108 893 H GLU 120 H GLU 120 2.744 9.851 1.265 894 HA GLU 120 HA GLU 120 5.638 9.796 0.728 895 HB2 GLU 120 HB2 GLU 120 3.368 7.887 0.053 896 HB3 GLU 120 HB3 GLU 120 4.988 7.695 -0.600 897 HG2 GLU 120 HG2 GLU 120 5.653 6.595 1.252 898 HG3 GLU 120 HG3 GLU 120 5.273 7.997 2.245 899 H LEU 121 H LEU 121 3.047 11.452 -0.516 900 HA LEU 121 HA LEU 121 4.143 11.523 -3.273 901 HB2 LEU 121 HB2 LEU 121 1.273 11.956 -2.343 902 HB3 LEU 121 HB3 LEU 121 1.836 12.223 -3.986 903 HG LEU 121 HG LEU 121 1.720 9.529 -2.563 904 HD11 LEU 121 HD11 LEU 121 -0.505 10.401 -3.131 905 HD12 LEU 121 HD12 LEU 121 -0.101 9.002 -4.122 906 HD13 LEU 121 HD13 LEU 121 -0.009 10.625 -4.812 907 HD21 LEU 121 HD21 LEU 121 2.515 10.156 -5.429 908 HD22 LEU 121 HD22 LEU 121 2.325 8.542 -4.734 909 HD23 LEU 121 HD23 LEU 121 3.596 9.608 -4.144 910 H SER 122 H SER 122 4.509 13.511 -4.139 911 HA SER 122 HA SER 122 3.853 15.964 -2.583 912 HB2 SER 122 HB2 SER 122 6.338 15.468 -4.315 913 HB3 SER 122 HB3 SER 122 5.935 16.993 -3.527 914 HG SER 122 HG SER 122 7.472 15.443 -2.466 915 H ALA 123 H ALA 123 3.107 17.732 -3.848 916 HA ALA 123 HA ALA 123 1.845 17.189 -6.348 917 HB1 ALA 123 HB1 ALA 123 2.447 19.875 -5.053 918 HB2 ALA 123 HB2 ALA 123 0.997 18.900 -4.803 919 HB3 ALA 123 HB3 ALA 123 1.321 19.595 -6.389 920 H LYS 124 H LYS 124 2.287 18.638 -8.374 921 HA LYS 124 HA LYS 124 4.912 18.284 -9.379 922 HB2 LYS 124 HB2 LYS 124 2.965 18.474 -10.861 923 HB3 LYS 124 HB3 LYS 124 2.704 20.138 -10.360 924 HG2 LYS 124 HG2 LYS 124 3.711 20.129 -12.556 925 HG3 LYS 124 HG3 LYS 124 4.891 20.762 -11.404 926 HD2 LYS 124 HD2 LYS 124 6.013 18.529 -11.359 927 HD3 LYS 124 HD3 LYS 124 4.837 17.923 -12.533 928 HE2 LYS 124 HE2 LYS 124 5.637 19.674 -14.149 929 HE3 LYS 124 HE3 LYS 124 6.877 20.134 -12.980 930 HZ1 LYS 124 HZ1 LYS 124 6.590 17.471 -14.256 931 HZ2 LYS 124 HZ2 LYS 124 7.782 17.900 -13.135 932 HZ3 LYS 124 HZ3 LYS 124 7.735 18.648 -14.648 933 H LEU 125 H LEU 125 6.310 19.110 -7.871 934 HA LEU 125 HA LEU 125 6.777 22.031 -7.823 935 HB2 LEU 125 HB2 LEU 125 6.902 20.141 -5.423 936 HB3 LEU 125 HB3 LEU 125 7.466 21.804 -5.407 937 HG LEU 125 HG LEU 125 4.566 20.960 -5.831 938 HD11 LEU 125 HD11 LEU 125 5.875 22.105 -3.345 939 HD12 LEU 125 HD12 LEU 125 5.279 20.457 -3.556 940 HD13 LEU 125 HD13 LEU 125 4.147 21.805 -3.567 941 HD21 LEU 125 HD21 LEU 125 4.030 23.354 -5.535 942 HD22 LEU 125 HD22 LEU 125 5.055 23.086 -6.940 943 HD23 LEU 125 HD23 LEU 125 5.754 23.735 -5.455 944 H GLU 126 H GLU 126 9.127 22.219 -6.572 945 HA GLU 126 HA GLU 126 11.070 21.167 -8.325 946 HB2 GLU 126 HB2 GLU 126 12.734 22.145 -6.745 947 HB3 GLU 126 HB3 GLU 126 11.444 23.260 -7.168 948 HG2 GLU 126 HG2 GLU 126 10.379 22.965 -5.026 949 HG3 GLU 126 HG3 GLU 126 11.473 21.653 -4.599 950 H HIS 127 H HIS 127 12.644 19.542 -8.115 951 HA HIS 127 HA HIS 127 12.693 17.737 -5.844 952 HB2 HIS 127 HB2 HIS 127 12.008 15.709 -7.170 953 HB3 HIS 127 HB3 HIS 127 10.703 16.860 -6.919 954 HD1 HIS 127 HD1 HIS 127 12.837 15.357 -9.603 955 HD2 HIS 127 HD2 HIS 127 9.719 18.074 -9.289 956 HE1 HIS 127 HE1 HIS 127 11.966 15.650 -11.935 957 HE2 HIS 127 HE2 HIS 127 10.244 17.458 -11.741 958 H HIS 128 H HIS 128 14.874 18.986 -6.363 959 HA HIS 128 HA HIS 128 16.578 18.007 -8.421 960 HB2 HIS 128 HB2 HIS 128 18.429 19.093 -7.213 961 HB3 HIS 128 HB3 HIS 128 17.030 20.150 -7.308 962 HD1 HIS 128 HD1 HIS 128 15.744 20.609 -5.057 963 HD2 HIS 128 HD2 HIS 128 19.277 18.473 -4.616 964 HE1 HIS 128 HE1 HIS 128 16.292 20.719 -2.613 965 HE2 HIS 128 HE2 HIS 128 18.496 19.541 -2.396 966 H HIS 129 H HIS 129 16.140 16.972 -5.057 967 HA HIS 129 HA HIS 129 17.052 14.306 -5.509 968 HB2 HIS 129 HB2 HIS 129 19.279 15.461 -5.429 969 HB3 HIS 129 HB3 HIS 129 18.895 16.086 -3.830 970 HD1 HIS 129 HD1 HIS 129 19.528 12.789 -5.597 971 HD2 HIS 129 HD2 HIS 129 19.538 14.379 -1.760 972 HE1 HIS 129 HE1 HIS 129 20.459 10.990 -4.130 973 HE2 HIS 129 HE2 HIS 129 20.290 11.909 -1.805 974 H HIS 130 H HIS 130 15.376 13.417 -4.382 975 HA HIS 130 HA HIS 130 15.042 14.006 -1.517 976 HB2 HIS 130 HB2 HIS 130 12.989 14.557 -3.636 977 HB3 HIS 130 HB3 HIS 130 12.382 13.744 -2.205 978 HD1 HIS 130 HD1 HIS 130 10.994 16.093 -2.176 979 HD2 HIS 130 HD2 HIS 130 14.990 16.256 -1.067 980 HE1 HIS 130 HE1 HIS 130 11.243 18.246 -0.907 981 HE2 HIS 130 HE2 HIS 130 13.606 18.184 -0.047 982 H HIS 131 H HIS 131 14.103 12.385 -0.293 983 HA HIS 131 HA HIS 131 13.078 9.926 -1.485 984 HB2 HIS 131 HB2 HIS 131 14.612 8.413 -0.405 985 HB3 HIS 131 HB3 HIS 131 15.606 9.598 -1.236 986 HD1 HIS 131 HD1 HIS 131 16.772 11.438 0.345 987 HD2 HIS 131 HD2 HIS 131 15.047 8.207 2.316 988 HE1 HIS 131 HE1 HIS 131 17.742 11.464 2.657 989 HE2 HIS 131 HE2 HIS 131 16.746 9.462 3.803 990 H HIS 132 H HIS 132 12.529 8.367 0.558 991 HA HIS 132 HA HIS 132 11.957 9.721 3.049 992 HB2 HIS 132 HB2 HIS 132 10.022 10.460 1.710 993 HB3 HIS 132 HB3 HIS 132 9.636 8.793 1.301 994 HD1 HIS 132 HD1 HIS 132 9.944 10.929 4.436 995 HD2 HIS 132 HD2 HIS 132 7.762 7.712 2.979 996 HE1 HIS 132 HE1 HIS 132 8.295 10.377 6.236 997 HE2 HIS 132 HE2 HIS 132 6.816 8.633 5.200 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -4.253 15.423 -1.199 2 H2 MET 1 H2 MET 1 -5.251 14.149 -1.689 3 H3 MET 1 H3 MET 1 -5.901 15.697 -1.460 4 HA MET 1 HA MET 1 -4.652 16.577 -3.279 5 HB2 MET 1 HB2 MET 1 -3.592 13.732 -3.526 6 HB3 MET 1 HB3 MET 1 -3.359 14.972 -4.754 7 HG2 MET 1 HG2 MET 1 -2.066 16.320 -3.206 8 HG3 MET 1 HG3 MET 1 -2.378 15.175 -1.899 9 HE1 MET 1 HE1 MET 1 0.539 16.295 -3.044 10 HE2 MET 1 HE2 MET 1 1.468 14.821 -2.775 11 HE3 MET 1 HE3 MET 1 0.305 15.361 -1.567 12 H LYS 2 H LYS 2 -5.402 16.452 -5.513 13 HA LYS 2 HA LYS 2 -8.170 15.486 -5.524 14 HB2 LYS 2 HB2 LYS 2 -7.680 17.864 -5.993 15 HB3 LYS 2 HB3 LYS 2 -6.726 17.408 -7.397 16 HG2 LYS 2 HG2 LYS 2 -8.722 16.536 -8.514 17 HG3 LYS 2 HG3 LYS 2 -9.703 16.872 -7.086 18 HD2 LYS 2 HD2 LYS 2 -8.271 18.983 -8.765 19 HD3 LYS 2 HD3 LYS 2 -9.987 18.582 -8.893 20 HE2 LYS 2 HE2 LYS 2 -8.596 19.737 -6.445 21 HE3 LYS 2 HE3 LYS 2 -9.659 20.611 -7.547 22 HZ1 LYS 2 HZ1 LYS 2 -10.858 19.967 -5.589 23 HZ2 LYS 2 HZ2 LYS 2 -10.431 18.346 -5.788 24 HZ3 LYS 2 HZ3 LYS 2 -11.458 19.095 -6.907 25 H VAL 3 H VAL 3 -9.003 13.983 -6.869 26 HA VAL 3 HA VAL 3 -7.440 12.332 -8.588 27 HB VAL 3 HB VAL 3 -10.482 12.606 -8.463 28 HG11 VAL 3 HG11 VAL 3 -10.542 10.327 -9.461 29 HG12 VAL 3 HG12 VAL 3 -8.786 10.357 -9.635 30 HG13 VAL 3 HG13 VAL 3 -9.783 11.490 -10.550 31 HG21 VAL 3 HG21 VAL 3 -9.534 11.995 -6.273 32 HG22 VAL 3 HG22 VAL 3 -8.636 10.666 -7.010 33 HG23 VAL 3 HG23 VAL 3 -10.400 10.622 -6.970 34 H GLY 4 H GLY 4 -7.208 12.337 -10.778 35 HA2 GLY 4 HA2 GLY 4 -7.344 13.087 -13.014 36 HA3 GLY 4 HA3 GLY 4 -8.356 14.425 -12.494 37 H SER 5 H SER 5 -6.083 14.736 -10.299 38 HA SER 5 HA SER 5 -4.416 16.615 -11.804 39 HB2 SER 5 HB2 SER 5 -5.268 17.295 -9.583 40 HB3 SER 5 HB3 SER 5 -4.451 15.929 -8.829 41 HG SER 5 HG SER 5 -2.485 16.857 -9.282 42 H GLN 6 H GLN 6 -2.045 16.557 -11.610 43 HA GLN 6 HA GLN 6 -0.928 13.810 -11.481 44 HB2 GLN 6 HB2 GLN 6 0.168 16.330 -12.805 45 HB3 GLN 6 HB3 GLN 6 1.098 14.842 -12.633 46 HG2 GLN 6 HG2 GLN 6 -0.717 13.674 -13.952 47 HG3 GLN 6 HG3 GLN 6 -1.419 15.259 -14.271 48 HE21 GLN 6 HE21 GLN 6 -0.295 13.273 -16.122 49 HE22 GLN 6 HE22 GLN 6 0.944 14.089 -17.002 50 H VAL 7 H VAL 7 0.835 13.373 -10.206 51 HA VAL 7 HA VAL 7 1.843 15.452 -8.361 52 HB VAL 7 HB VAL 7 1.986 13.677 -6.558 53 HG11 VAL 7 HG11 VAL 7 -0.396 13.775 -5.886 54 HG12 VAL 7 HG12 VAL 7 -0.834 14.307 -7.511 55 HG13 VAL 7 HG13 VAL 7 0.174 15.333 -6.491 56 HG21 VAL 7 HG21 VAL 7 1.867 11.650 -7.961 57 HG22 VAL 7 HG22 VAL 7 0.203 12.037 -8.404 58 HG23 VAL 7 HG23 VAL 7 0.599 11.634 -6.732 59 H ILE 8 H ILE 8 4.030 15.267 -7.815 60 HA ILE 8 HA ILE 8 5.693 13.311 -9.252 61 HB ILE 8 HB ILE 8 6.430 15.827 -7.685 62 HG12 ILE 8 HG12 ILE 8 5.351 16.240 -9.914 63 HG13 ILE 8 HG13 ILE 8 7.026 16.788 -9.871 64 HG21 ILE 8 HG21 ILE 8 8.255 14.216 -7.408 65 HG22 ILE 8 HG22 ILE 8 8.763 15.504 -8.497 66 HG23 ILE 8 HG23 ILE 8 8.313 13.927 -9.149 67 HD11 ILE 8 HD11 ILE 8 6.495 15.713 -11.984 68 HD12 ILE 8 HD12 ILE 8 6.042 14.229 -11.149 69 HD13 ILE 8 HD13 ILE 8 7.717 14.787 -11.115 70 H ILE 9 H ILE 9 6.501 11.573 -8.236 71 HA ILE 9 HA ILE 9 5.857 11.016 -5.453 72 HB ILE 9 HB ILE 9 7.535 9.310 -7.360 73 HG12 ILE 9 HG12 ILE 9 4.500 9.168 -6.979 74 HG13 ILE 9 HG13 ILE 9 5.308 9.827 -8.398 75 HG21 ILE 9 HG21 ILE 9 6.838 7.420 -5.921 76 HG22 ILE 9 HG22 ILE 9 5.941 8.530 -4.881 77 HG23 ILE 9 HG23 ILE 9 7.698 8.650 -4.994 78 HD11 ILE 9 HD11 ILE 9 4.495 7.585 -8.820 79 HD12 ILE 9 HD12 ILE 9 5.428 6.954 -7.464 80 HD13 ILE 9 HD13 ILE 9 6.258 7.610 -8.879 81 H ASN 10 H ASN 10 7.183 11.970 -3.911 82 HA ASN 10 HA ASN 10 9.974 12.602 -4.541 83 HB2 ASN 10 HB2 ASN 10 9.942 13.821 -2.342 84 HB3 ASN 10 HB3 ASN 10 8.748 14.383 -3.500 85 HD21 ASN 10 HD21 ASN 10 7.810 15.353 -1.590 86 HD22 ASN 10 HD22 ASN 10 6.750 14.418 -0.599 87 H THR 11 H THR 11 8.174 10.452 -2.461 88 HA THR 11 HA THR 11 10.630 8.961 -1.705 89 HB THR 11 HB THR 11 8.280 9.595 0.160 90 HG1 THR 11 HG1 THR 11 9.697 10.897 1.247 91 HG21 THR 11 HG21 THR 11 9.165 7.322 0.596 92 HG22 THR 11 HG22 THR 11 9.579 8.422 1.914 93 HG23 THR 11 HG23 THR 11 10.802 7.978 0.724 94 H SER 12 H SER 12 10.342 6.722 -1.779 95 HA SER 12 HA SER 12 7.760 5.476 -1.996 96 HB2 SER 12 HB2 SER 12 8.051 4.615 -4.325 97 HB3 SER 12 HB3 SER 12 7.896 6.370 -4.282 98 HG SER 12 HG SER 12 9.793 6.519 -5.124 99 H HIS 13 H HIS 13 8.045 3.131 -2.751 100 HA HIS 13 HA HIS 13 10.019 1.948 -0.970 101 HB2 HIS 13 HB2 HIS 13 7.817 0.559 -2.555 102 HB3 HIS 13 HB3 HIS 13 8.643 -0.042 -1.117 103 HD2 HIS 13 HD2 HIS 13 8.164 2.812 0.685 104 HE1 HIS 13 HE1 HIS 13 4.095 1.811 0.077 105 HE2 HIS 13 HE2 HIS 13 5.702 3.294 1.341 106 H MET 14 H MET 14 9.949 2.732 -4.243 107 HA MET 14 HA MET 14 12.160 0.866 -4.916 108 HB2 MET 14 HB2 MET 14 10.005 1.749 -6.900 109 HB3 MET 14 HB3 MET 14 11.328 0.638 -7.215 110 HG2 MET 14 HG2 MET 14 10.290 -1.016 -5.722 111 HG3 MET 14 HG3 MET 14 8.980 0.119 -5.381 112 HE1 MET 14 HE1 MET 14 7.048 -1.533 -6.151 113 HE2 MET 14 HE2 MET 14 8.279 -2.779 -6.372 114 HE3 MET 14 HE3 MET 14 7.108 -2.460 -7.650 115 H LYS 15 H LYS 15 13.886 1.840 -6.048 116 HA LYS 15 HA LYS 15 14.266 4.632 -6.188 117 HB2 LYS 15 HB2 LYS 15 16.157 3.066 -6.218 118 HB3 LYS 15 HB3 LYS 15 15.639 2.405 -7.760 119 HG2 LYS 15 HG2 LYS 15 17.549 3.869 -8.105 120 HG3 LYS 15 HG3 LYS 15 16.118 4.579 -8.857 121 HD2 LYS 15 HD2 LYS 15 15.858 6.057 -6.834 122 HD3 LYS 15 HD3 LYS 15 17.378 5.406 -6.209 123 HE2 LYS 15 HE2 LYS 15 17.018 6.970 -8.793 124 HE3 LYS 15 HE3 LYS 15 17.731 7.579 -7.302 125 HZ1 LYS 15 HZ1 LYS 15 18.824 5.395 -8.993 126 HZ2 LYS 15 HZ2 LYS 15 19.514 5.953 -7.551 127 HZ3 LYS 15 HZ3 LYS 15 19.421 6.973 -8.896 128 H GLY 16 H GLY 16 13.036 2.360 -8.620 129 HA2 GLY 16 HA2 GLY 16 12.946 4.017 -10.890 130 HA3 GLY 16 HA3 GLY 16 11.937 2.612 -10.616 131 H MET 17 H MET 17 10.802 3.965 -8.128 132 HA MET 17 HA MET 17 8.749 5.563 -9.513 133 HB2 MET 17 HB2 MET 17 8.687 4.587 -6.629 134 HB3 MET 17 HB3 MET 17 7.337 5.190 -7.587 135 HG2 MET 17 HG2 MET 17 7.834 3.164 -9.143 136 HG3 MET 17 HG3 MET 17 8.755 2.542 -7.779 137 HE1 MET 17 HE1 MET 17 7.592 2.139 -5.328 138 HE2 MET 17 HE2 MET 17 5.849 2.264 -5.068 139 HE3 MET 17 HE3 MET 17 6.804 3.719 -5.342 140 H LYS 18 H LYS 18 11.364 5.910 -7.188 141 HA LYS 18 HA LYS 18 10.652 8.451 -6.120 142 HB2 LYS 18 HB2 LYS 18 12.275 6.918 -5.036 143 HB3 LYS 18 HB3 LYS 18 13.411 7.182 -6.352 144 HG2 LYS 18 HG2 LYS 18 13.630 9.553 -5.733 145 HG3 LYS 18 HG3 LYS 18 12.425 9.350 -4.455 146 HD2 LYS 18 HD2 LYS 18 15.142 7.966 -4.576 147 HD3 LYS 18 HD3 LYS 18 14.741 9.354 -3.557 148 HE2 LYS 18 HE2 LYS 18 13.060 7.986 -2.364 149 HE3 LYS 18 HE3 LYS 18 13.453 6.601 -3.385 150 HZ1 LYS 18 HZ1 LYS 18 15.288 7.953 -1.485 151 HZ2 LYS 18 HZ2 LYS 18 15.708 6.650 -2.482 152 HZ3 LYS 18 HZ3 LYS 18 14.548 6.451 -1.265 153 H GLY 19 H GLY 19 10.667 10.371 -7.065 154 HA2 GLY 19 HA2 GLY 19 11.336 12.196 -8.329 155 HA3 GLY 19 HA3 GLY 19 12.577 11.219 -9.091 156 H ALA 20 H ALA 20 9.682 9.535 -9.298 157 HA ALA 20 HA ALA 20 9.437 10.107 -12.153 158 HB1 ALA 20 HB1 ALA 20 9.475 7.776 -11.369 159 HB2 ALA 20 HB2 ALA 20 7.971 8.141 -12.217 160 HB3 ALA 20 HB3 ALA 20 7.993 8.048 -10.452 161 H GLU 21 H GLU 21 7.386 10.475 -13.205 162 HA GLU 21 HA GLU 21 5.548 12.241 -11.744 163 HB2 GLU 21 HB2 GLU 21 6.300 12.971 -13.991 164 HB3 GLU 21 HB3 GLU 21 5.683 11.485 -14.700 165 HG2 GLU 21 HG2 GLU 21 3.357 12.251 -13.860 166 HG3 GLU 21 HG3 GLU 21 4.108 13.822 -13.583 167 H ALA 22 H ALA 22 3.782 11.407 -10.829 168 HA ALA 22 HA ALA 22 2.375 9.079 -11.996 169 HB1 ALA 22 HB1 ALA 22 3.196 8.672 -9.710 170 HB2 ALA 22 HB2 ALA 22 1.434 8.699 -9.748 171 HB3 ALA 22 HB3 ALA 22 2.325 10.093 -9.129 172 H THR 23 H THR 23 -0.021 9.147 -11.672 173 HA THR 23 HA THR 23 -1.224 11.856 -11.491 174 HB THR 23 HB THR 23 -2.052 9.702 -13.509 175 HG1 THR 23 HG1 THR 23 -0.074 10.945 -13.979 176 HG21 THR 23 HG21 THR 23 -3.596 11.416 -14.408 177 HG22 THR 23 HG22 THR 23 -3.123 12.528 -13.122 178 HG23 THR 23 HG23 THR 23 -3.986 11.040 -12.728 179 H VAL 24 H VAL 24 -2.898 11.925 -10.081 180 HA VAL 24 HA VAL 24 -3.571 9.614 -8.476 181 HB VAL 24 HB VAL 24 -4.822 12.403 -8.419 182 HG11 VAL 24 HG11 VAL 24 -5.566 11.816 -6.122 183 HG12 VAL 24 HG12 VAL 24 -4.937 10.180 -6.335 184 HG13 VAL 24 HG13 VAL 24 -6.278 10.747 -7.333 185 HG21 VAL 24 HG21 VAL 24 -2.545 11.303 -6.717 186 HG22 VAL 24 HG22 VAL 24 -3.319 12.878 -6.509 187 HG23 VAL 24 HG23 VAL 24 -2.403 12.534 -7.976 188 H THR 25 H THR 25 -4.838 8.093 -9.465 189 HA THR 25 HA THR 25 -7.237 8.929 -10.998 190 HB THR 25 HB THR 25 -7.270 6.578 -11.866 191 HG1 THR 25 HG1 THR 25 -5.008 5.548 -11.477 192 HG21 THR 25 HG21 THR 25 -6.128 8.351 -13.163 193 HG22 THR 25 HG22 THR 25 -5.326 6.793 -13.367 194 HG23 THR 25 HG23 THR 25 -4.622 8.012 -12.303 195 H GLY 26 H GLY 26 -6.341 7.884 -7.924 196 HA2 GLY 26 HA2 GLY 26 -9.129 7.658 -7.154 197 HA3 GLY 26 HA3 GLY 26 -8.153 6.217 -6.864 198 H ALA 27 H ALA 27 -9.398 8.585 -5.196 199 HA ALA 27 HA ALA 27 -7.071 8.930 -3.372 200 HB1 ALA 27 HB1 ALA 27 -7.715 11.088 -4.380 201 HB2 ALA 27 HB2 ALA 27 -8.051 11.075 -2.647 202 HB3 ALA 27 HB3 ALA 27 -9.370 10.879 -3.804 203 H TYR 28 H TYR 28 -7.367 7.480 -1.792 204 HA TYR 28 HA TYR 28 -10.069 6.942 -0.684 205 HB2 TYR 28 HB2 TYR 28 -7.550 5.215 -0.598 206 HB3 TYR 28 HB3 TYR 28 -9.102 4.780 0.109 207 HD1 TYR 28 HD1 TYR 28 -7.635 5.745 -3.243 208 HD2 TYR 28 HD2 TYR 28 -10.503 3.349 -1.158 209 HE1 TYR 28 HE1 TYR 28 -8.231 4.618 -5.347 210 HE2 TYR 28 HE2 TYR 28 -11.096 2.230 -3.268 211 HH TYR 28 HH TYR 28 -9.217 2.476 -6.083 212 H ASP 29 H ASP 29 -10.429 7.467 1.418 213 HA ASP 29 HA ASP 29 -8.130 8.007 3.211 214 HB2 ASP 29 HB2 ASP 29 -9.586 9.730 4.350 215 HB3 ASP 29 HB3 ASP 29 -9.086 10.147 2.717 216 H THR 30 H THR 30 -8.102 5.943 4.019 217 HA THR 30 HA THR 30 -10.299 5.139 5.832 218 HB THR 30 HB THR 30 -10.643 3.880 3.733 219 HG1 THR 30 HG1 THR 30 -11.029 2.039 4.762 220 HG21 THR 30 HG21 THR 30 -7.846 2.762 4.150 221 HG22 THR 30 HG22 THR 30 -8.331 3.868 2.862 222 HG23 THR 30 HG23 THR 30 -8.997 2.235 2.920 223 H THR 31 H THR 31 -9.438 3.011 7.079 224 HA THR 31 HA THR 31 -7.055 3.756 8.527 225 HB THR 31 HB THR 31 -8.388 1.014 8.754 226 HG1 THR 31 HG1 THR 31 -10.113 2.353 8.984 227 HG21 THR 31 HG21 THR 31 -6.296 1.400 10.053 228 HG22 THR 31 HG22 THR 31 -7.688 1.195 11.114 229 HG23 THR 31 HG23 THR 31 -7.041 2.809 10.823 230 H ALA 32 H ALA 32 -5.032 3.296 7.867 231 HA ALA 32 HA ALA 32 -4.487 1.011 6.072 232 HB1 ALA 32 HB1 ALA 32 -2.799 3.481 6.605 233 HB2 ALA 32 HB2 ALA 32 -3.827 3.228 5.195 234 HB3 ALA 32 HB3 ALA 32 -2.423 2.193 5.456 235 H TYR 33 H TYR 33 -2.639 -0.329 6.585 236 HA TYR 33 HA TYR 33 -1.907 -0.415 9.450 237 HB2 TYR 33 HB2 TYR 33 -2.932 -2.743 7.759 238 HB3 TYR 33 HB3 TYR 33 -2.167 -2.948 9.330 239 HD1 TYR 33 HD1 TYR 33 -3.268 -1.884 11.374 240 HD2 TYR 33 HD2 TYR 33 -5.291 -2.222 7.622 241 HE1 TYR 33 HE1 TYR 33 -5.416 -1.527 12.501 242 HE2 TYR 33 HE2 TYR 33 -7.446 -1.869 8.759 243 HH TYR 33 HH TYR 33 -7.668 -0.728 11.953 244 H VAL 34 H VAL 34 0.059 -1.039 9.938 245 HA VAL 34 HA VAL 34 2.071 -1.711 7.882 246 HB VAL 34 HB VAL 34 2.412 -1.043 10.863 247 HG11 VAL 34 HG11 VAL 34 4.308 -2.318 9.971 248 HG12 VAL 34 HG12 VAL 34 4.791 -0.657 10.313 249 HG13 VAL 34 HG13 VAL 34 4.492 -1.164 8.648 250 HG21 VAL 34 HG21 VAL 34 1.455 0.892 9.668 251 HG22 VAL 34 HG22 VAL 34 2.759 0.825 8.480 252 HG23 VAL 34 HG23 VAL 34 3.118 1.219 10.162 253 H VAL 35 H VAL 35 2.252 -3.965 7.549 254 HA VAL 35 HA VAL 35 1.654 -5.770 9.851 255 HB VAL 35 HB VAL 35 0.527 -7.360 8.302 256 HG11 VAL 35 HG11 VAL 35 -0.842 -5.798 9.615 257 HG12 VAL 35 HG12 VAL 35 -1.589 -6.101 8.046 258 HG13 VAL 35 HG13 VAL 35 -0.727 -4.587 8.335 259 HG21 VAL 35 HG21 VAL 35 1.589 -6.721 6.171 260 HG22 VAL 35 HG22 VAL 35 0.784 -5.152 6.214 261 HG23 VAL 35 HG23 VAL 35 -0.168 -6.626 6.028 262 H SER 36 H SER 36 2.716 -7.712 10.034 263 HA SER 36 HA SER 36 4.959 -8.314 8.170 264 HB2 SER 36 HB2 SER 36 5.738 -7.727 10.441 265 HB3 SER 36 HB3 SER 36 4.701 -8.959 11.142 266 HG SER 36 HG SER 36 7.141 -9.218 9.906 267 H TYR 37 H TYR 37 4.861 -10.281 7.100 268 HA TYR 37 HA TYR 37 3.165 -12.462 8.057 269 HB2 TYR 37 HB2 TYR 37 1.722 -12.526 6.034 270 HB3 TYR 37 HB3 TYR 37 1.497 -11.032 6.935 271 HD1 TYR 37 HD2 TYR 37 2.353 -8.873 6.024 272 HD2 TYR 37 HD1 TYR 37 2.664 -12.483 3.752 273 HE1 TYR 37 HE2 TYR 37 2.810 -7.569 4.008 274 HE2 TYR 37 HE1 TYR 37 3.136 -11.167 1.730 275 HH TYR 37 HH TYR 37 3.885 -7.828 1.851 276 H THR 38 H THR 38 3.369 -14.418 6.811 277 HA THR 38 HA THR 38 5.881 -14.600 5.244 278 HB THR 38 HB THR 38 4.358 -16.863 6.621 279 HG1 THR 38 HG1 THR 38 6.386 -16.739 7.959 280 HG21 THR 38 HG21 THR 38 6.424 -18.187 6.210 281 HG22 THR 38 HG22 THR 38 7.116 -16.834 5.318 282 HG23 THR 38 HG23 THR 38 5.689 -17.659 4.689 283 HA PRO 39 HA PRO 39 3.154 -15.366 1.574 284 HB2 PRO 39 HB2 PRO 39 5.904 -16.101 0.538 285 HB3 PRO 39 HB3 PRO 39 4.633 -15.135 -0.223 286 HG2 PRO 39 HG2 PRO 39 6.718 -13.903 0.850 287 HG3 PRO 39 HG3 PRO 39 5.086 -13.241 1.089 288 HD2 PRO 39 HD2 PRO 39 6.786 -14.838 3.005 289 HD3 PRO 39 HD3 PRO 39 5.762 -13.417 3.318 290 H THR 40 H THR 40 2.082 -17.247 1.233 291 HA THR 40 HA THR 40 2.539 -19.478 2.903 292 HB THR 40 HB THR 40 0.531 -20.481 1.886 293 HG1 THR 40 HG1 THR 40 -0.414 -19.575 0.062 294 HG21 THR 40 HG21 THR 40 -1.090 -18.669 2.285 295 HG22 THR 40 HG22 THR 40 0.204 -17.471 2.205 296 HG23 THR 40 HG23 THR 40 0.173 -18.652 3.518 297 H ASN 41 H ASN 41 3.950 -18.953 -0.143 298 HA ASN 41 HA ASN 41 4.110 -21.791 -0.918 299 HB2 ASN 41 HB2 ASN 41 5.300 -19.352 -2.296 300 HB3 ASN 41 HB3 ASN 41 5.195 -20.976 -2.964 301 HD21 ASN 41 HD21 ASN 41 4.123 -18.467 -3.996 302 HD22 ASN 41 HD22 ASN 41 2.423 -18.712 -4.181 303 H GLY 42 H GLY 42 5.634 -20.311 1.447 304 HA2 GLY 42 HA2 GLY 42 7.635 -20.756 2.540 305 HA3 GLY 42 HA3 GLY 42 8.191 -21.673 1.147 306 H GLY 43 H GLY 43 7.093 -18.322 1.549 307 HA2 GLY 43 HA2 GLY 43 9.451 -17.313 0.062 308 HA3 GLY 43 HA3 GLY 43 7.923 -16.472 0.284 309 H GLN 44 H GLN 44 10.488 -15.320 0.797 310 HA GLN 44 HA GLN 44 11.177 -15.236 3.548 311 HB2 GLN 44 HB2 GLN 44 11.516 -13.094 1.402 312 HB3 GLN 44 HB3 GLN 44 12.295 -13.056 2.984 313 HG2 GLN 44 HG2 GLN 44 13.522 -15.123 2.421 314 HG3 GLN 44 HG3 GLN 44 12.745 -15.154 0.836 315 HE21 GLN 44 HE21 GLN 44 15.610 -14.955 1.544 316 HE22 GLN 44 HE22 GLN 44 16.187 -13.513 0.788 317 H ARG 45 H ARG 45 10.271 -14.180 5.272 318 HA ARG 45 HA ARG 45 7.645 -13.126 5.097 319 HB2 ARG 45 HB2 ARG 45 8.257 -14.181 7.161 320 HB3 ARG 45 HB3 ARG 45 9.674 -13.156 7.361 321 HG2 ARG 45 HG2 ARG 45 8.306 -11.226 7.896 322 HG3 ARG 45 HG3 ARG 45 6.828 -12.088 7.470 323 HD2 ARG 45 HD2 ARG 45 8.657 -12.832 9.781 324 HD3 ARG 45 HD3 ARG 45 7.172 -11.882 9.928 325 HE ARG 45 HE ARG 45 6.620 -14.327 8.621 326 HH11 ARG 45 HH11 ARG 45 7.347 -13.148 11.802 327 HH12 ARG 45 HH12 ARG 45 6.497 -14.439 12.572 328 HH21 ARG 45 HH21 ARG 45 5.554 -15.946 9.641 329 HH22 ARG 45 HH22 ARG 45 5.514 -16.010 11.371 330 H VAL 46 H VAL 46 6.978 -11.176 4.575 331 HA VAL 46 HA VAL 46 8.800 -8.906 4.345 332 HB VAL 46 HB VAL 46 5.840 -9.170 3.623 333 HG11 VAL 46 HG11 VAL 46 6.360 -6.819 4.100 334 HG12 VAL 46 HG12 VAL 46 6.132 -7.042 2.368 335 HG13 VAL 46 HG13 VAL 46 7.764 -6.879 3.027 336 HG21 VAL 46 HG21 VAL 46 8.322 -9.190 1.851 337 HG22 VAL 46 HG22 VAL 46 6.653 -9.233 1.279 338 HG23 VAL 46 HG23 VAL 46 7.294 -10.580 2.219 339 H ASP 47 H ASP 47 9.154 -7.670 6.044 340 HA ASP 47 HA ASP 47 7.267 -7.533 8.314 341 HB2 ASP 47 HB2 ASP 47 10.223 -6.799 8.107 342 HB3 ASP 47 HB3 ASP 47 9.239 -6.552 9.552 343 H HIS 48 H HIS 48 6.478 -5.573 9.056 344 HA HIS 48 HA HIS 48 5.679 -3.456 8.981 345 HB2 HIS 48 HB2 HIS 48 8.478 -2.784 7.978 346 HB3 HIS 48 HB3 HIS 48 7.341 -1.639 8.678 347 HD1 HIS 48 HD1 HIS 48 10.279 -3.116 9.627 348 HD2 HIS 48 HD2 HIS 48 6.547 -3.044 11.451 349 HE1 HIS 48 HE1 HIS 48 10.716 -3.548 12.055 350 HE2 HIS 48 HE2 HIS 48 8.433 -3.719 13.084 351 H HIS 49 H HIS 49 5.060 -4.975 6.694 352 HA HIS 49 HA HIS 49 5.521 -3.808 4.193 353 HB2 HIS 49 HB2 HIS 49 4.618 -6.086 4.423 354 HB3 HIS 49 HB3 HIS 49 3.119 -5.456 5.093 355 HD2 HIS 49 HD2 HIS 49 1.282 -4.493 3.225 356 HE1 HIS 49 HE1 HIS 49 3.560 -5.569 -0.172 357 HE2 HIS 49 HE2 HIS 49 1.269 -4.897 0.667 358 H LYS 50 H LYS 50 4.973 -1.865 3.460 359 HA LYS 50 HA LYS 50 2.420 -0.612 4.254 360 HB2 LYS 50 HB2 LYS 50 5.113 0.649 3.604 361 HB3 LYS 50 HB3 LYS 50 3.616 1.580 3.636 362 HG2 LYS 50 HG2 LYS 50 3.305 0.989 6.027 363 HG3 LYS 50 HG3 LYS 50 4.823 0.078 5.992 364 HD2 LYS 50 HD2 LYS 50 6.073 2.127 5.490 365 HD3 LYS 50 HD3 LYS 50 4.573 3.056 5.404 366 HE2 LYS 50 HE2 LYS 50 4.173 2.629 7.806 367 HE3 LYS 50 HE3 LYS 50 5.668 1.687 7.891 368 HZ1 LYS 50 HZ1 LYS 50 5.966 3.963 8.669 369 HZ2 LYS 50 HZ2 LYS 50 5.483 4.557 7.161 370 HZ3 LYS 50 HZ3 LYS 50 6.906 3.657 7.296 371 H TRP 51 H TRP 51 1.471 -0.041 0.867 372 HA TRP 51 HA TRP 51 0.881 -0.471 3.746 373 HB2 TRP 51 HB2 TRP 51 -0.484 1.416 1.785 374 HB3 TRP 51 HB3 TRP 51 -1.065 1.094 3.410 375 HD1 TRP 51 HD1 TRP 51 1.606 3.083 1.521 376 HE1 TRP 51 HE1 TRP 51 2.697 4.742 3.153 377 HE3 TRP 51 HE3 TRP 51 -0.417 1.369 5.904 378 HZ2 TRP 51 HZ2 TRP 51 2.703 5.261 5.921 379 HZ3 TRP 51 HZ3 TRP 51 0.185 2.507 8.002 380 HH2 TRP 51 HH2 TRP 51 1.713 4.415 8.007 381 H VAL 52 H VAL 52 -1.020 -1.437 4.306 382 HA VAL 52 HA VAL 52 -2.771 -2.626 2.221 383 HB VAL 52 HB VAL 52 -3.408 -4.430 3.849 384 HG11 VAL 52 HG11 VAL 52 -1.783 -4.954 2.093 385 HG12 VAL 52 HG12 VAL 52 -1.417 -5.857 3.564 386 HG13 VAL 52 HG13 VAL 52 -0.455 -4.439 3.138 387 HG21 VAL 52 HG21 VAL 52 -1.999 -4.915 5.823 388 HG22 VAL 52 HG22 VAL 52 -2.763 -3.333 5.963 389 HG23 VAL 52 HG23 VAL 52 -1.059 -3.450 5.523 390 H ILE 53 H ILE 53 -5.033 -2.493 2.702 391 HA ILE 53 HA ILE 53 -5.674 -0.334 4.644 392 HB ILE 53 HB ILE 53 -7.768 0.001 3.321 393 HG12 ILE 53 HG12 ILE 53 -6.544 -2.036 1.388 394 HG13 ILE 53 HG13 ILE 53 -7.989 -2.297 2.361 395 HG21 ILE 53 HG21 ILE 53 -5.196 0.208 1.706 396 HG22 ILE 53 HG22 ILE 53 -5.778 1.382 2.888 397 HG23 ILE 53 HG23 ILE 53 -6.681 1.114 1.397 398 HD11 ILE 53 HD11 ILE 53 -9.124 -0.513 1.101 399 HD12 ILE 53 HD12 ILE 53 -8.557 -1.824 0.068 400 HD13 ILE 53 HD13 ILE 53 -7.668 -0.305 0.123 401 H GLN 54 H GLN 54 -7.824 -0.428 5.693 402 HA GLN 54 HA GLN 54 -8.485 -2.611 7.166 403 HB2 GLN 54 HB2 GLN 54 -9.235 -0.186 7.356 404 HB3 GLN 54 HB3 GLN 54 -10.479 -0.541 6.164 405 HG2 GLN 54 HG2 GLN 54 -11.588 -2.051 7.666 406 HG3 GLN 54 HG3 GLN 54 -10.236 -2.007 8.801 407 HE21 GLN 54 HE21 GLN 54 -11.444 -1.265 10.514 408 HE22 GLN 54 HE22 GLN 54 -12.146 0.305 10.583 409 H GLU 55 H GLU 55 -9.624 -1.931 3.867 410 HA GLU 55 HA GLU 55 -11.568 -4.096 3.784 411 HB2 GLU 55 HB2 GLU 55 -10.483 -2.402 1.498 412 HB3 GLU 55 HB3 GLU 55 -11.955 -3.375 1.479 413 HG2 GLU 55 HG2 GLU 55 -11.479 -0.924 3.218 414 HG3 GLU 55 HG3 GLU 55 -12.375 -0.935 1.701 415 H GLU 56 H GLU 56 -8.262 -4.145 3.687 416 HA GLU 56 HA GLU 56 -7.741 -6.032 1.540 417 HB2 GLU 56 HB2 GLU 56 -6.187 -4.208 2.991 418 HB3 GLU 56 HB3 GLU 56 -5.705 -5.717 3.733 419 HG2 GLU 56 HG2 GLU 56 -4.119 -5.286 2.056 420 HG3 GLU 56 HG3 GLU 56 -5.148 -6.552 1.409 421 H ILE 57 H ILE 57 -8.978 -6.284 4.677 422 HA ILE 57 HA ILE 57 -7.868 -8.976 5.260 423 HB ILE 57 HB ILE 57 -8.446 -6.669 7.191 424 HG12 ILE 57 HG12 ILE 57 -5.742 -7.902 6.451 425 HG13 ILE 57 HG13 ILE 57 -6.352 -6.389 5.796 426 HG21 ILE 57 HG21 ILE 57 -7.351 -9.437 7.812 427 HG22 ILE 57 HG22 ILE 57 -8.943 -8.821 8.257 428 HG23 ILE 57 HG23 ILE 57 -7.498 -8.104 8.964 429 HD11 ILE 57 HD11 ILE 57 -6.297 -5.404 8.045 430 HD12 ILE 57 HD12 ILE 57 -4.718 -6.002 7.534 431 HD13 ILE 57 HD13 ILE 57 -5.676 -6.929 8.689 432 H LYS 58 H LYS 58 -9.354 -10.513 5.910 433 HA LYS 58 HA LYS 58 -12.193 -10.010 5.940 434 HB2 LYS 58 HB2 LYS 58 -12.284 -12.463 6.773 435 HB3 LYS 58 HB3 LYS 58 -11.656 -12.162 5.173 436 HG2 LYS 58 HG2 LYS 58 -9.366 -12.446 5.982 437 HG3 LYS 58 HG3 LYS 58 -9.964 -12.684 7.626 438 HD2 LYS 58 HD2 LYS 58 -10.693 -14.484 5.272 439 HD3 LYS 58 HD3 LYS 58 -9.375 -14.821 6.393 440 HE2 LYS 58 HE2 LYS 58 -12.303 -14.566 7.165 441 HE3 LYS 58 HE3 LYS 58 -11.427 -16.082 6.957 442 HZ1 LYS 58 HZ1 LYS 58 -9.972 -15.467 8.766 443 HZ2 LYS 58 HZ2 LYS 58 -11.581 -15.437 9.283 444 HZ3 LYS 58 HZ3 LYS 58 -10.768 -13.991 8.964 445 H ASP 59 H ASP 59 -9.837 -10.860 8.486 446 HA ASP 59 HA ASP 59 -11.702 -10.998 10.621 447 HB2 ASP 59 HB2 ASP 59 -8.683 -10.694 10.683 448 HB3 ASP 59 HB3 ASP 59 -9.682 -11.126 12.073 449 H ALA 60 H ALA 60 -10.486 -8.195 9.088 450 HA ALA 60 HA ALA 60 -10.518 -6.317 11.157 451 HB1 ALA 60 HB1 ALA 60 -9.758 -5.785 8.880 452 HB2 ALA 60 HB2 ALA 60 -10.994 -4.641 9.406 453 HB3 ALA 60 HB3 ALA 60 -11.408 -5.935 8.274 454 H GLY 61 H GLY 61 -13.320 -7.365 9.085 455 HA2 GLY 61 HA2 GLY 61 -15.586 -7.009 9.311 456 HA3 GLY 61 HA3 GLY 61 -15.297 -6.927 11.045 457 H ASP 62 H ASP 62 -14.017 -4.792 8.555 458 HA ASP 62 HA ASP 62 -13.471 -2.628 8.691 459 HB2 ASP 62 HB2 ASP 62 -15.272 -1.079 8.185 460 HB3 ASP 62 HB3 ASP 62 -15.526 -2.600 7.341 461 H LYS 63 H LYS 63 -13.427 -3.818 11.342 462 HA LYS 63 HA LYS 63 -13.949 -1.463 13.085 463 HB2 LYS 63 HB2 LYS 63 -13.984 -2.840 14.968 464 HB3 LYS 63 HB3 LYS 63 -14.635 -3.936 13.754 465 HG2 LYS 63 HG2 LYS 63 -12.313 -4.908 13.510 466 HG3 LYS 63 HG3 LYS 63 -11.805 -3.896 14.862 467 HD2 LYS 63 HD2 LYS 63 -13.394 -5.037 16.349 468 HD3 LYS 63 HD3 LYS 63 -13.999 -6.004 14.999 469 HE2 LYS 63 HE2 LYS 63 -11.817 -7.104 14.776 470 HE3 LYS 63 HE3 LYS 63 -11.146 -6.077 16.044 471 HZ1 LYS 63 HZ1 LYS 63 -13.331 -8.057 16.406 472 HZ2 LYS 63 HZ2 LYS 63 -12.674 -7.075 17.617 473 HZ3 LYS 63 HZ3 LYS 63 -11.717 -8.258 16.880 474 H THR 64 H THR 64 -12.149 -1.013 14.738 475 HA THR 64 HA THR 64 -9.662 -0.580 13.286 476 HB THR 64 HB THR 64 -10.327 0.197 16.171 477 HG1 THR 64 HG1 THR 64 -11.808 1.204 14.834 478 HG21 THR 64 HG21 THR 64 -8.255 1.298 14.228 479 HG22 THR 64 HG22 THR 64 -7.908 0.270 15.621 480 HG23 THR 64 HG23 THR 64 -8.558 1.892 15.861 481 H LEU 65 H LEU 65 -8.325 -2.320 13.161 482 HA LEU 65 HA LEU 65 -7.940 -4.259 15.264 483 HB2 LEU 65 HB2 LEU 65 -6.326 -3.780 12.730 484 HB3 LEU 65 HB3 LEU 65 -6.252 -5.220 13.741 485 HG LEU 65 HG LEU 65 -8.739 -4.323 12.219 486 HD11 LEU 65 HD11 LEU 65 -6.982 -4.917 10.633 487 HD12 LEU 65 HD12 LEU 65 -8.256 -6.135 10.630 488 HD13 LEU 65 HD13 LEU 65 -6.728 -6.460 11.453 489 HD21 LEU 65 HD21 LEU 65 -9.605 -6.575 12.724 490 HD22 LEU 65 HD22 LEU 65 -9.262 -5.682 14.203 491 HD23 LEU 65 HD23 LEU 65 -8.150 -6.941 13.657 492 H GLN 66 H GLN 66 -6.422 -4.256 16.838 493 HA GLN 66 HA GLN 66 -4.721 -1.862 17.159 494 HB2 GLN 66 HB2 GLN 66 -5.671 -3.919 19.209 495 HB3 GLN 66 HB3 GLN 66 -4.673 -2.515 19.584 496 HG2 GLN 66 HG2 GLN 66 -7.509 -2.442 18.499 497 HG3 GLN 66 HG3 GLN 66 -7.035 -2.146 20.171 498 HE21 GLN 66 HE21 GLN 66 -5.917 -0.184 20.667 499 HE22 GLN 66 HE22 GLN 66 -5.960 1.166 19.596 500 HA PRO 67 HA PRO 67 -0.767 -3.942 16.448 501 HB2 PRO 67 HB2 PRO 67 0.004 -2.569 19.037 502 HB3 PRO 67 HB3 PRO 67 0.906 -2.679 17.514 503 HG2 PRO 67 HG2 PRO 67 -0.417 -0.449 18.092 504 HG3 PRO 67 HG3 PRO 67 -0.472 -1.102 16.440 505 HD2 PRO 67 HD2 PRO 67 -2.582 -1.183 18.583 506 HD3 PRO 67 HD3 PRO 67 -2.760 -1.013 16.824 507 H GLY 68 H GLY 68 -0.073 -5.964 16.879 508 HA2 GLY 68 HA2 GLY 68 0.605 -7.778 18.288 509 HA3 GLY 68 HA3 GLY 68 -0.507 -7.224 19.530 510 H ASP 69 H ASP 69 -2.409 -6.867 17.014 511 HA ASP 69 HA ASP 69 -3.860 -9.311 17.384 512 HB2 ASP 69 HB2 ASP 69 -4.906 -7.077 17.065 513 HB3 ASP 69 HB3 ASP 69 -4.313 -7.036 15.412 514 H GLN 70 H GLN 70 -4.220 -11.009 15.980 515 HA GLN 70 HA GLN 70 -2.541 -11.257 13.552 516 HB2 GLN 70 HB2 GLN 70 -3.785 -13.388 15.350 517 HB3 GLN 70 HB3 GLN 70 -3.013 -13.755 13.811 518 HG2 GLN 70 HG2 GLN 70 -1.674 -12.517 16.231 519 HG3 GLN 70 HG3 GLN 70 -1.508 -14.189 15.693 520 HE21 GLN 70 HE21 GLN 70 0.574 -12.223 16.063 521 HE22 GLN 70 HE22 GLN 70 1.356 -12.009 14.546 522 H VAL 71 H VAL 71 -3.490 -11.396 11.610 523 HA VAL 71 HA VAL 71 -6.399 -11.910 11.326 524 HB VAL 71 HB VAL 71 -6.501 -10.105 9.592 525 HG11 VAL 71 HG11 VAL 71 -7.276 -9.587 11.853 526 HG12 VAL 71 HG12 VAL 71 -6.521 -8.168 11.130 527 HG13 VAL 71 HG13 VAL 71 -5.643 -9.115 12.332 528 HG21 VAL 71 HG21 VAL 71 -3.699 -9.356 10.537 529 HG22 VAL 71 HG22 VAL 71 -4.690 -8.408 9.424 530 HG23 VAL 71 HG23 VAL 71 -4.116 -10.008 8.951 531 H ILE 72 H ILE 72 -6.956 -12.207 8.880 532 HA ILE 72 HA ILE 72 -4.766 -13.564 7.386 533 HB ILE 72 HB ILE 72 -7.770 -14.082 7.240 534 HG12 ILE 72 HG12 ILE 72 -6.748 -15.043 9.284 535 HG13 ILE 72 HG13 ILE 72 -7.294 -16.308 8.193 536 HG21 ILE 72 HG21 ILE 72 -5.556 -15.451 5.666 537 HG22 ILE 72 HG22 ILE 72 -6.794 -14.374 5.016 538 HG23 ILE 72 HG23 ILE 72 -7.255 -15.940 5.682 539 HD11 ILE 72 HD11 ILE 72 -4.969 -16.653 7.458 540 HD12 ILE 72 HD12 ILE 72 -5.176 -16.888 9.191 541 HD13 ILE 72 HD13 ILE 72 -4.439 -15.404 8.590 542 H LEU 73 H LEU 73 -4.309 -12.843 5.375 543 HA LEU 73 HA LEU 73 -5.573 -10.408 4.353 544 HB2 LEU 73 HB2 LEU 73 -3.164 -11.984 3.349 545 HB3 LEU 73 HB3 LEU 73 -3.677 -10.412 2.744 546 HG LEU 73 HG LEU 73 -2.726 -10.945 5.594 547 HD11 LEU 73 HD11 LEU 73 -0.667 -9.769 4.978 548 HD12 LEU 73 HD12 LEU 73 -1.228 -9.622 3.311 549 HD13 LEU 73 HD13 LEU 73 -0.887 -11.213 3.992 550 HD21 LEU 73 HD21 LEU 73 -2.675 -8.481 5.825 551 HD22 LEU 73 HD22 LEU 73 -4.304 -9.060 5.492 552 HD23 LEU 73 HD23 LEU 73 -3.358 -8.306 4.205 553 H GLU 74 H GLU 74 -7.242 -10.534 2.947 554 HA GLU 74 HA GLU 74 -7.636 -12.883 1.208 555 HB2 GLU 74 HB2 GLU 74 -9.402 -10.444 1.669 556 HB3 GLU 74 HB3 GLU 74 -9.812 -11.807 0.621 557 HG2 GLU 74 HG2 GLU 74 -9.617 -13.297 2.661 558 HG3 GLU 74 HG3 GLU 74 -9.504 -11.830 3.638 559 H ALA 75 H ALA 75 -5.794 -10.236 0.894 560 HA ALA 75 HA ALA 75 -6.627 -9.281 -1.731 561 HB1 ALA 75 HB1 ALA 75 -4.844 -7.627 -1.427 562 HB2 ALA 75 HB2 ALA 75 -4.308 -8.451 0.042 563 HB3 ALA 75 HB3 ALA 75 -5.897 -7.684 -0.011 564 H SER 76 H SER 76 -5.180 -9.194 -3.527 565 HA SER 76 HA SER 76 -2.997 -11.203 -3.543 566 HB2 SER 76 HB2 SER 76 -3.497 -11.641 -5.875 567 HB3 SER 76 HB3 SER 76 -4.994 -11.784 -4.962 568 HG SER 76 HG SER 76 -5.810 -10.227 -6.104 569 H HIS 77 H HIS 77 -1.023 -10.477 -4.258 570 HA HIS 77 HA HIS 77 -0.613 -7.769 -5.222 571 HB2 HIS 77 HB2 HIS 77 0.425 -8.628 -2.471 572 HB3 HIS 77 HB3 HIS 77 1.108 -7.282 -3.369 573 HD2 HIS 77 HD2 HIS 77 -2.368 -8.179 -1.682 574 HE1 HIS 77 HE1 HIS 77 -1.852 -3.982 -1.792 575 HE2 HIS 77 HE2 HIS 77 -3.402 -5.863 -1.127 576 H MET 78 H MET 78 0.677 -10.774 -3.948 577 HA MET 78 HA MET 78 2.399 -11.267 -6.216 578 HB2 MET 78 HB2 MET 78 4.472 -11.520 -4.832 579 HB3 MET 78 HB3 MET 78 3.895 -9.859 -4.879 580 HG2 MET 78 HG2 MET 78 2.844 -10.218 -2.636 581 HG3 MET 78 HG3 MET 78 3.597 -11.818 -2.591 582 HE1 MET 78 HE1 MET 78 4.883 -11.227 -0.269 583 HE2 MET 78 HE2 MET 78 3.969 -9.718 -0.324 584 HE3 MET 78 HE3 MET 78 5.707 -9.685 -0.038 585 H LYS 79 H LYS 79 3.814 -13.398 -5.496 586 HA LYS 79 HA LYS 79 2.020 -15.540 -5.213 587 HB2 LYS 79 HB2 LYS 79 5.043 -15.448 -4.876 588 HB3 LYS 79 HB3 LYS 79 4.115 -16.947 -4.919 589 HG2 LYS 79 HG2 LYS 79 4.226 -14.912 -7.175 590 HG3 LYS 79 HG3 LYS 79 5.198 -16.387 -7.088 591 HD2 LYS 79 HD2 LYS 79 3.135 -17.753 -7.111 592 HD3 LYS 79 HD3 LYS 79 2.155 -16.285 -7.178 593 HE2 LYS 79 HE2 LYS 79 2.353 -17.296 -9.401 594 HE3 LYS 79 HE3 LYS 79 3.156 -15.726 -9.370 595 HZ1 LYS 79 HZ1 LYS 79 4.503 -18.365 -9.160 596 HZ2 LYS 79 HZ2 LYS 79 5.280 -16.865 -9.131 597 HZ3 LYS 79 HZ3 LYS 79 4.477 -17.374 -10.528 598 H GLY 80 H GLY 80 1.046 -16.400 -3.492 599 HA2 GLY 80 HA2 GLY 80 0.729 -17.338 -1.411 600 HA3 GLY 80 HA3 GLY 80 2.367 -16.890 -0.973 601 H MET 81 H MET 81 0.439 -14.256 -2.107 602 HA MET 81 HA MET 81 0.529 -12.872 0.389 603 HB2 MET 81 HB2 MET 81 0.596 -11.754 -1.855 604 HB3 MET 81 HB3 MET 81 -1.088 -12.191 -2.110 605 HG2 MET 81 HG2 MET 81 -0.943 -9.875 -1.438 606 HG3 MET 81 HG3 MET 81 -1.709 -10.799 -0.143 607 HE1 MET 81 HE1 MET 81 -0.351 -7.799 0.175 608 HE2 MET 81 HE2 MET 81 0.420 -8.001 1.747 609 HE3 MET 81 HE3 MET 81 -1.206 -8.629 1.478 610 H LYS 82 H LYS 82 -2.334 -13.891 -1.533 611 HA LYS 82 HA LYS 82 -4.219 -13.608 0.560 612 HB2 LYS 82 HB2 LYS 82 -4.763 -13.600 -1.907 613 HB3 LYS 82 HB3 LYS 82 -4.503 -15.342 -1.933 614 HG2 LYS 82 HG2 LYS 82 -6.362 -15.648 -0.327 615 HG3 LYS 82 HG3 LYS 82 -6.597 -13.904 -0.272 616 HD2 LYS 82 HD2 LYS 82 -8.279 -14.581 -1.756 617 HD3 LYS 82 HD3 LYS 82 -6.994 -14.086 -2.854 618 HE2 LYS 82 HE2 LYS 82 -7.615 -16.950 -2.043 619 HE3 LYS 82 HE3 LYS 82 -8.089 -16.194 -3.561 620 HZ1 LYS 82 HZ1 LYS 82 -5.326 -16.783 -2.647 621 HZ2 LYS 82 HZ2 LYS 82 -5.697 -15.907 -4.045 622 HZ3 LYS 82 HZ3 LYS 82 -6.167 -17.522 -3.913 623 H GLY 83 H GLY 83 -4.799 -14.946 2.194 624 HA2 GLY 83 HA2 GLY 83 -5.303 -17.034 3.210 625 HA3 GLY 83 HA3 GLY 83 -4.153 -17.828 2.146 626 H ALA 84 H ALA 84 -2.428 -15.236 3.044 627 HA ALA 84 HA ALA 84 -0.899 -16.652 5.054 628 HB1 ALA 84 HB1 ALA 84 0.236 -15.365 3.291 629 HB2 ALA 84 HB2 ALA 84 0.658 -14.743 4.887 630 HB3 ALA 84 HB3 ALA 84 -0.502 -13.872 3.879 631 H THR 85 H THR 85 -0.491 -15.987 7.179 632 HA THR 85 HA THR 85 -2.565 -14.373 8.498 633 HB THR 85 HB THR 85 -0.277 -15.959 9.781 634 HG1 THR 85 HG1 THR 85 -2.940 -16.776 10.010 635 HG21 THR 85 HG21 THR 85 -1.142 -14.155 11.259 636 HG22 THR 85 HG22 THR 85 -1.580 -15.750 11.871 637 HG23 THR 85 HG23 THR 85 -2.785 -14.769 11.036 638 H ALA 86 H ALA 86 -2.219 -12.270 8.998 639 HA ALA 86 HA ALA 86 0.507 -11.132 8.775 640 HB1 ALA 86 HB1 ALA 86 -1.095 -10.260 7.135 641 HB2 ALA 86 HB2 ALA 86 -0.586 -8.990 8.246 642 HB3 ALA 86 HB3 ALA 86 -2.173 -9.744 8.427 643 H GLU 87 H GLU 87 1.307 -9.885 10.328 644 HA GLU 87 HA GLU 87 0.088 -9.807 13.005 645 HB2 GLU 87 HB2 GLU 87 2.320 -10.775 12.942 646 HB3 GLU 87 HB3 GLU 87 2.932 -9.472 11.941 647 HG2 GLU 87 HG2 GLU 87 3.841 -9.139 14.094 648 HG3 GLU 87 HG3 GLU 87 2.604 -7.908 13.889 649 H ILE 88 H ILE 88 -1.020 -7.910 13.401 650 HA ILE 88 HA ILE 88 -0.568 -5.453 11.991 651 HB ILE 88 HB ILE 88 -2.039 -5.833 14.646 652 HG12 ILE 88 HG12 ILE 88 -3.038 -7.268 12.878 653 HG13 ILE 88 HG13 ILE 88 -4.136 -5.980 13.350 654 HG21 ILE 88 HG21 ILE 88 -2.232 -3.540 12.645 655 HG22 ILE 88 HG22 ILE 88 -1.481 -3.471 14.239 656 HG23 ILE 88 HG23 ILE 88 -3.220 -3.723 14.100 657 HD11 ILE 88 HD11 ILE 88 -4.187 -6.366 10.959 658 HD12 ILE 88 HD12 ILE 88 -2.459 -6.042 10.838 659 HD13 ILE 88 HD13 ILE 88 -3.570 -4.752 11.307 660 H ASP 89 H ASP 89 1.575 -4.792 12.186 661 HA ASP 89 HA ASP 89 3.014 -4.636 14.663 662 HB2 ASP 89 HB2 ASP 89 3.577 -3.202 12.028 663 HB3 ASP 89 HB3 ASP 89 4.705 -3.354 13.371 664 H SER 90 H SER 90 1.012 -2.451 12.780 665 HA SER 90 HA SER 90 0.536 -0.630 14.920 666 HB2 SER 90 HB2 SER 90 2.828 0.160 14.282 667 HB3 SER 90 HB3 SER 90 2.248 0.487 12.651 668 HG SER 90 HG SER 90 1.913 1.930 14.969 669 H ALA 91 H ALA 91 -0.864 1.194 14.265 670 HA ALA 91 HA ALA 91 -2.376 0.781 11.743 671 HB1 ALA 91 HB1 ALA 91 -3.575 1.341 14.493 672 HB2 ALA 91 HB2 ALA 91 -3.662 -0.189 13.619 673 HB3 ALA 91 HB3 ALA 91 -4.474 1.237 12.974 674 H GLU 92 H GLU 92 -2.861 2.657 10.638 675 HA GLU 92 HA GLU 92 -2.494 5.294 11.923 676 HB2 GLU 92 HB2 GLU 92 -0.354 4.673 10.796 677 HB3 GLU 92 HB3 GLU 92 -1.209 4.493 9.269 678 HG2 GLU 92 HG2 GLU 92 -1.720 6.879 9.223 679 HG3 GLU 92 HG3 GLU 92 -1.035 7.091 10.833 680 H LYS 93 H LYS 93 -4.000 6.779 11.340 681 HA LYS 93 HA LYS 93 -5.932 6.225 9.195 682 HB2 LYS 93 HB2 LYS 93 -5.776 8.382 11.355 683 HB3 LYS 93 HB3 LYS 93 -7.004 8.387 10.092 684 HG2 LYS 93 HG2 LYS 93 -6.631 6.093 12.050 685 HG3 LYS 93 HG3 LYS 93 -7.720 7.455 12.335 686 HD2 LYS 93 HD2 LYS 93 -8.953 6.866 10.235 687 HD3 LYS 93 HD3 LYS 93 -7.905 5.456 10.038 688 HE2 LYS 93 HE2 LYS 93 -8.770 4.465 12.080 689 HE3 LYS 93 HE3 LYS 93 -9.671 5.931 12.469 690 HZ1 LYS 93 HZ1 LYS 93 -11.070 5.568 10.573 691 HZ2 LYS 93 HZ2 LYS 93 -11.063 4.176 11.531 692 HZ3 LYS 93 HZ3 LYS 93 -10.169 4.220 10.097 693 H THR 94 H THR 94 -4.845 6.579 7.290 694 HA THR 94 HA THR 94 -3.770 9.281 6.738 695 HB THR 94 HB THR 94 -1.816 7.895 7.275 696 HG1 THR 94 HG1 THR 94 -0.654 8.422 5.477 697 HG21 THR 94 HG21 THR 94 -2.693 5.654 6.741 698 HG22 THR 94 HG22 THR 94 -1.164 5.950 5.914 699 HG23 THR 94 HG23 THR 94 -2.680 6.048 5.016 700 H THR 95 H THR 95 -3.692 9.809 4.431 701 HA THR 95 HA THR 95 -5.931 8.600 2.970 702 HB THR 95 HB THR 95 -4.250 11.019 2.137 703 HG1 THR 95 HG1 THR 95 -6.776 11.307 3.348 704 HG21 THR 95 HG21 THR 95 -7.080 10.171 1.377 705 HG22 THR 95 HG22 THR 95 -5.662 10.063 0.328 706 HG23 THR 95 HG23 THR 95 -6.271 11.641 0.836 707 H VAL 96 H VAL 96 -5.541 7.061 1.444 708 HA VAL 96 HA VAL 96 -2.793 6.621 0.446 709 HB VAL 96 HB VAL 96 -3.462 4.160 0.226 710 HG11 VAL 96 HG11 VAL 96 -3.324 5.292 3.048 711 HG12 VAL 96 HG12 VAL 96 -1.951 4.900 2.009 712 HG13 VAL 96 HG13 VAL 96 -3.004 3.613 2.599 713 HG21 VAL 96 HG21 VAL 96 -5.916 4.391 0.397 714 HG22 VAL 96 HG22 VAL 96 -5.768 4.980 2.052 715 HG23 VAL 96 HG23 VAL 96 -5.315 3.319 1.664 716 H TYR 97 H TYR 97 -2.575 6.316 -1.735 717 HA TYR 97 HA TYR 97 -4.920 7.009 -3.389 718 HB2 TYR 97 HB2 TYR 97 -1.989 7.769 -3.757 719 HB3 TYR 97 HB3 TYR 97 -3.280 8.182 -4.883 720 HD1 TYR 97 HD1 TYR 97 -1.823 8.911 -1.565 721 HD2 TYR 97 HD2 TYR 97 -4.914 9.954 -4.324 722 HE1 TYR 97 HE1 TYR 97 -2.306 10.938 -0.271 723 HE2 TYR 97 HE2 TYR 97 -5.380 11.992 -3.028 724 HH TYR 97 HH TYR 97 -3.305 13.092 -0.498 725 H MET 98 H MET 98 -5.240 6.101 -5.312 726 HA MET 98 HA MET 98 -3.537 3.897 -6.295 727 HB2 MET 98 HB2 MET 98 -5.996 3.504 -5.944 728 HB3 MET 98 HB3 MET 98 -6.357 4.793 -7.084 729 HG2 MET 98 HG2 MET 98 -5.333 3.495 -8.890 730 HG3 MET 98 HG3 MET 98 -4.903 2.223 -7.745 731 HE1 MET 98 HE1 MET 98 -8.253 4.346 -7.905 732 HE2 MET 98 HE2 MET 98 -9.269 3.279 -8.873 733 HE3 MET 98 HE3 MET 98 -7.867 4.061 -9.603 734 H VAL 99 H VAL 99 -2.019 4.597 -7.733 735 HA VAL 99 HA VAL 99 -2.539 7.034 -9.382 736 HB VAL 99 HB VAL 99 -0.145 7.694 -9.118 737 HG11 VAL 99 HG11 VAL 99 -1.635 7.459 -6.472 738 HG12 VAL 99 HG12 VAL 99 -1.840 8.737 -7.671 739 HG13 VAL 99 HG13 VAL 99 -0.308 8.575 -6.812 740 HG21 VAL 99 HG21 VAL 99 0.859 5.492 -8.596 741 HG22 VAL 99 HG22 VAL 99 0.025 5.460 -7.041 742 HG23 VAL 99 HG23 VAL 99 1.273 6.671 -7.349 743 H ASP 100 H ASP 100 -1.673 7.160 -11.462 744 HA ASP 100 HA ASP 100 -0.491 4.716 -12.644 745 HB2 ASP 100 HB2 ASP 100 -1.856 7.132 -13.947 746 HB3 ASP 100 HB3 ASP 100 -1.137 5.795 -14.837 747 H TYR 101 H TYR 101 1.731 4.833 -12.902 748 HA TYR 101 HA TYR 101 3.001 7.454 -13.487 749 HB2 TYR 101 HB2 TYR 101 4.766 7.105 -11.908 750 HB3 TYR 101 HB3 TYR 101 3.289 6.742 -11.033 751 HD1 TYR 101 HD1 TYR 101 2.695 4.268 -10.606 752 HD2 TYR 101 HD2 TYR 101 6.515 5.449 -12.113 753 HE1 TYR 101 HE1 TYR 101 3.622 2.080 -10.005 754 HE2 TYR 101 HE2 TYR 101 7.432 3.253 -11.511 755 HH TYR 101 HH TYR 101 6.817 1.403 -9.775 756 H THR 102 H THR 102 5.221 7.247 -14.383 757 HA THR 102 HA THR 102 5.777 4.677 -15.788 758 HB THR 102 HB THR 102 6.693 7.479 -16.622 759 HG1 THR 102 HG1 THR 102 4.384 6.268 -17.048 760 HG21 THR 102 HG21 THR 102 7.074 4.794 -18.019 761 HG22 THR 102 HG22 THR 102 8.347 5.760 -17.266 762 HG23 THR 102 HG23 THR 102 7.501 6.364 -18.693 763 H SER 103 H SER 103 7.698 3.687 -15.305 764 HA SER 103 HA SER 103 9.180 4.552 -13.000 765 HB2 SER 103 HB2 SER 103 8.792 2.164 -13.407 766 HB3 SER 103 HB3 SER 103 9.698 2.240 -14.918 767 HG SER 103 HG SER 103 10.655 1.673 -12.576 768 H THR 104 H THR 104 10.986 5.748 -12.895 769 HA THR 104 HA THR 104 12.273 6.995 -15.096 770 HB THR 104 HB THR 104 14.012 7.685 -13.350 771 HG1 THR 104 HG1 THR 104 12.419 6.788 -11.268 772 HG21 THR 104 HG21 THR 104 11.099 8.165 -12.607 773 HG22 THR 104 HG22 THR 104 12.052 9.128 -13.740 774 HG23 THR 104 HG23 THR 104 12.472 9.109 -12.026 775 H THR 105 H THR 105 13.172 4.220 -13.100 776 HA THR 105 HA THR 105 15.757 3.824 -14.414 777 HB THR 105 HB THR 105 16.078 1.926 -12.878 778 HG1 THR 105 HG1 THR 105 14.264 0.922 -12.395 779 HG21 THR 105 HG21 THR 105 15.970 3.118 -10.716 780 HG22 THR 105 HG22 THR 105 14.902 4.328 -11.428 781 HG23 THR 105 HG23 THR 105 16.569 4.182 -11.991 782 H SER 106 H SER 106 12.689 1.996 -14.179 783 HA SER 106 HA SER 106 13.664 -0.126 -15.945 784 HB2 SER 106 HB2 SER 106 11.004 0.163 -14.488 785 HB3 SER 106 HB3 SER 106 11.551 -1.281 -15.345 786 HG SER 106 HG SER 106 12.045 -1.593 -13.221 787 H GLY 107 H GLY 107 11.613 2.691 -16.213 788 HA2 GLY 107 HA2 GLY 107 10.615 3.668 -18.055 789 HA3 GLY 107 HA3 GLY 107 11.238 2.365 -19.051 790 H GLU 108 H GLU 108 9.500 1.022 -16.499 791 HA GLU 108 HA GLU 108 7.484 -0.018 -18.168 792 HB2 GLU 108 HB2 GLU 108 7.693 -0.027 -15.134 793 HB3 GLU 108 HB3 GLU 108 6.595 -1.034 -16.076 794 HG2 GLU 108 HG2 GLU 108 9.624 -1.162 -16.054 795 HG3 GLU 108 HG3 GLU 108 8.510 -2.336 -15.358 796 H LYS 109 H LYS 109 5.483 0.643 -18.647 797 HA LYS 109 HA LYS 109 4.277 3.031 -17.487 798 HB2 LYS 109 HB2 LYS 109 3.081 1.139 -19.556 799 HB3 LYS 109 HB3 LYS 109 2.580 2.794 -19.211 800 HG2 LYS 109 HG2 LYS 109 4.731 3.628 -20.111 801 HG3 LYS 109 HG3 LYS 109 5.233 1.967 -20.451 802 HD2 LYS 109 HD2 LYS 109 2.849 3.406 -21.695 803 HD3 LYS 109 HD3 LYS 109 4.393 3.100 -22.491 804 HE2 LYS 109 HE2 LYS 109 2.433 0.974 -21.545 805 HE3 LYS 109 HE3 LYS 109 2.655 1.495 -23.213 806 HZ1 LYS 109 HZ1 LYS 109 3.818 -0.562 -22.738 807 HZ2 LYS 109 HZ2 LYS 109 4.721 0.196 -21.529 808 HZ3 LYS 109 HZ3 LYS 109 4.910 0.665 -23.139 809 H VAL 110 H VAL 110 3.804 2.438 -15.378 810 HA VAL 110 HA VAL 110 2.179 0.001 -14.864 811 HB VAL 110 HB VAL 110 3.838 1.598 -12.855 812 HG11 VAL 110 HG11 VAL 110 3.453 -0.313 -11.312 813 HG12 VAL 110 HG12 VAL 110 2.395 -1.069 -12.506 814 HG13 VAL 110 HG13 VAL 110 1.935 0.465 -11.764 815 HG21 VAL 110 HG21 VAL 110 4.473 -1.080 -14.157 816 HG22 VAL 110 HG22 VAL 110 5.415 -0.307 -12.880 817 HG23 VAL 110 HG23 VAL 110 5.299 0.449 -14.470 818 H LYS 111 H LYS 111 0.107 0.249 -14.193 819 HA LYS 111 HA LYS 111 -0.808 2.961 -13.397 820 HB2 LYS 111 HB2 LYS 111 -3.004 2.491 -14.473 821 HB3 LYS 111 HB3 LYS 111 -1.676 2.601 -15.615 822 HG2 LYS 111 HG2 LYS 111 -2.649 -0.093 -14.638 823 HG3 LYS 111 HG3 LYS 111 -3.499 0.761 -15.929 824 HD2 LYS 111 HD2 LYS 111 -0.555 -0.036 -15.994 825 HD3 LYS 111 HD3 LYS 111 -1.866 -0.905 -16.801 826 HE2 LYS 111 HE2 LYS 111 -1.011 1.959 -17.388 827 HE3 LYS 111 HE3 LYS 111 -0.635 0.545 -18.376 828 HZ1 LYS 111 HZ1 LYS 111 -3.345 1.654 -17.846 829 HZ2 LYS 111 HZ2 LYS 111 -3.042 0.239 -18.721 830 HZ3 LYS 111 HZ3 LYS 111 -2.497 1.728 -19.308 831 H ASN 112 H ASN 112 -2.545 3.110 -12.027 832 HA ASN 112 HA ASN 112 -3.736 2.755 -10.122 833 HB2 ASN 112 HB2 ASN 112 -3.986 -0.041 -11.310 834 HB3 ASN 112 HB3 ASN 112 -4.867 0.476 -9.879 835 HD21 ASN 112 HD21 ASN 112 -4.300 2.529 -12.734 836 HD22 ASN 112 HD22 ASN 112 -5.952 2.601 -13.208 837 H HIS 113 H HIS 113 -0.833 2.405 -9.987 838 HA HIS 113 HA HIS 113 -0.102 0.273 -8.266 839 HB2 HIS 113 HB2 HIS 113 1.487 1.612 -9.715 840 HB3 HIS 113 HB3 HIS 113 1.335 2.945 -8.573 841 HD2 HIS 113 HD2 HIS 113 2.832 2.693 -6.236 842 HE1 HIS 113 HE1 HIS 113 4.457 -1.095 -7.202 843 HE2 HIS 113 HE2 HIS 113 4.403 0.765 -5.494 844 H LYS 114 H LYS 114 -0.103 0.088 -6.091 845 HA LYS 114 HA LYS 114 -0.741 2.202 -4.243 846 HB2 LYS 114 HB2 LYS 114 -3.028 1.332 -3.663 847 HB3 LYS 114 HB3 LYS 114 -2.930 2.026 -5.275 848 HG2 LYS 114 HG2 LYS 114 -2.771 -0.290 -6.212 849 HG3 LYS 114 HG3 LYS 114 -3.009 -0.932 -4.580 850 HD2 LYS 114 HD2 LYS 114 -5.224 0.120 -4.458 851 HD3 LYS 114 HD3 LYS 114 -4.978 0.891 -6.029 852 HE2 LYS 114 HE2 LYS 114 -6.438 -1.087 -6.196 853 HE3 LYS 114 HE3 LYS 114 -4.956 -1.298 -7.127 854 HZ1 LYS 114 HZ1 LYS 114 -4.069 -2.687 -5.391 855 HZ2 LYS 114 HZ2 LYS 114 -5.592 -3.271 -5.842 856 HZ3 LYS 114 HZ3 LYS 114 -5.415 -2.398 -4.412 857 H TRP 115 H TRP 115 -0.119 -0.155 -1.575 858 HA TRP 115 HA TRP 115 -1.540 2.308 -2.382 859 HB2 TRP 115 HB2 TRP 115 -1.275 1.022 0.359 860 HB3 TRP 115 HB3 TRP 115 -2.099 2.546 0.047 861 HD1 TRP 115 HD1 TRP 115 -2.767 -1.111 0.231 862 HE1 TRP 115 HE1 TRP 115 -5.116 -1.635 -0.639 863 HE3 TRP 115 HE3 TRP 115 -3.868 3.388 -1.966 864 HZ2 TRP 115 HZ2 TRP 115 -7.156 -0.361 -2.080 865 HZ3 TRP 115 HZ3 TRP 115 -6.048 3.641 -3.073 866 HH2 TRP 115 HH2 TRP 115 -7.662 1.802 -3.131 867 H VAL 116 H VAL 116 -0.663 4.211 -2.227 868 HA VAL 116 HA VAL 116 1.807 4.720 -0.643 869 HB VAL 116 HB VAL 116 2.523 6.396 -2.391 870 HG11 VAL 116 HG11 VAL 116 2.278 3.549 -3.452 871 HG12 VAL 116 HG12 VAL 116 3.546 4.148 -2.381 872 HG13 VAL 116 HG13 VAL 116 3.420 4.769 -4.027 873 HG21 VAL 116 HG21 VAL 116 0.308 5.180 -4.108 874 HG22 VAL 116 HG22 VAL 116 1.521 6.336 -4.666 875 HG23 VAL 116 HG23 VAL 116 0.328 6.823 -3.461 876 H THR 117 H THR 117 1.781 6.682 0.549 877 HA THR 117 HA THR 117 -0.889 7.927 0.791 878 HB THR 117 HB THR 117 -0.167 8.808 2.938 879 HG1 THR 117 HG1 THR 117 2.337 7.608 2.934 880 HG21 THR 117 HG21 THR 117 0.357 6.738 4.171 881 HG22 THR 117 HG22 THR 117 0.762 5.928 2.658 882 HG23 THR 117 HG23 THR 117 -0.896 6.453 2.964 883 H GLU 118 H GLU 118 -0.896 10.324 1.408 884 HA GLU 118 HA GLU 118 0.265 12.004 -0.556 885 HB2 GLU 118 HB2 GLU 118 -1.842 12.456 0.745 886 HB3 GLU 118 HB3 GLU 118 -0.864 12.781 2.170 887 HG2 GLU 118 HG2 GLU 118 0.142 14.713 1.084 888 HG3 GLU 118 HG3 GLU 118 -0.714 14.359 -0.413 889 H ASP 119 H ASP 119 1.481 10.805 2.461 890 HA ASP 119 HA ASP 119 3.598 12.660 2.935 891 HB2 ASP 119 HB2 ASP 119 3.399 9.729 3.766 892 HB3 ASP 119 HB3 ASP 119 4.446 10.951 4.495 893 H GLU 120 H GLU 120 3.279 9.735 0.918 894 HA GLU 120 HA GLU 120 6.122 9.689 0.178 895 HB2 GLU 120 HB2 GLU 120 3.764 7.909 -0.562 896 HB3 GLU 120 HB3 GLU 120 5.278 7.817 -1.444 897 HG2 GLU 120 HG2 GLU 120 5.430 6.073 0.104 898 HG3 GLU 120 HG3 GLU 120 6.419 7.355 0.797 899 H LEU 121 H LEU 121 3.642 11.664 -0.719 900 HA LEU 121 HA LEU 121 4.450 11.833 -3.565 901 HB2 LEU 121 HB2 LEU 121 1.619 12.111 -2.458 902 HB3 LEU 121 HB3 LEU 121 2.081 12.453 -4.120 903 HG LEU 121 HG LEU 121 2.197 9.709 -2.789 904 HD11 LEU 121 HD11 LEU 121 0.240 10.768 -4.856 905 HD12 LEU 121 HD12 LEU 121 -0.112 10.435 -3.158 906 HD13 LEU 121 HD13 LEU 121 0.308 9.112 -4.242 907 HD21 LEU 121 HD21 LEU 121 2.749 10.480 -5.678 908 HD22 LEU 121 HD22 LEU 121 2.667 8.830 -5.053 909 HD23 LEU 121 HD23 LEU 121 3.937 9.918 -4.499 910 H SER 122 H SER 122 4.195 13.880 -4.496 911 HA SER 122 HA SER 122 3.413 16.220 -2.882 912 HB2 SER 122 HB2 SER 122 5.993 15.985 -4.506 913 HB3 SER 122 HB3 SER 122 5.293 17.539 -4.048 914 HG SER 122 HG SER 122 5.706 15.622 -2.055 915 H ALA 123 H ALA 123 2.312 17.794 -4.218 916 HA ALA 123 HA ALA 123 1.070 16.922 -6.584 917 HB1 ALA 123 HB1 ALA 123 1.476 19.792 -5.678 918 HB2 ALA 123 HB2 ALA 123 0.157 18.727 -5.194 919 HB3 ALA 123 HB3 ALA 123 0.298 19.233 -6.875 920 H LYS 124 H LYS 124 1.264 17.955 -8.832 921 HA LYS 124 HA LYS 124 3.761 17.399 -9.942 922 HB2 LYS 124 HB2 LYS 124 1.602 17.402 -11.175 923 HB3 LYS 124 HB3 LYS 124 1.590 19.159 -11.162 924 HG2 LYS 124 HG2 LYS 124 2.312 18.382 -13.335 925 HG3 LYS 124 HG3 LYS 124 3.680 19.158 -12.523 926 HD2 LYS 124 HD2 LYS 124 4.545 16.907 -11.879 927 HD3 LYS 124 HD3 LYS 124 3.190 16.155 -12.728 928 HE2 LYS 124 HE2 LYS 124 5.296 17.912 -14.036 929 HE3 LYS 124 HE3 LYS 124 5.295 16.149 -14.056 930 HZ1 LYS 124 HZ1 LYS 124 3.231 16.172 -15.269 931 HZ2 LYS 124 HZ2 LYS 124 4.382 17.098 -16.085 932 HZ3 LYS 124 HZ3 LYS 124 3.157 17.862 -15.206 933 H LEU 125 H LEU 125 5.571 18.413 -9.379 934 HA LEU 125 HA LEU 125 5.628 21.340 -8.881 935 HB2 LEU 125 HB2 LEU 125 5.613 19.647 -6.883 936 HB3 LEU 125 HB3 LEU 125 7.243 19.246 -7.379 937 HG LEU 125 HG LEU 125 7.887 21.664 -6.982 938 HD11 LEU 125 HD11 LEU 125 5.115 21.872 -5.761 939 HD12 LEU 125 HD12 LEU 125 5.686 22.710 -7.205 940 HD13 LEU 125 HD13 LEU 125 6.392 23.086 -5.636 941 HD21 LEU 125 HD21 LEU 125 8.374 19.932 -5.306 942 HD22 LEU 125 HD22 LEU 125 6.783 20.165 -4.577 943 HD23 LEU 125 HD23 LEU 125 7.977 21.463 -4.529 944 H GLU 126 H GLU 126 8.021 22.129 -8.765 945 HA GLU 126 HA GLU 126 9.465 21.478 -11.145 946 HB2 GLU 126 HB2 GLU 126 9.457 23.743 -10.123 947 HB3 GLU 126 HB3 GLU 126 10.326 23.125 -8.729 948 HG2 GLU 126 HG2 GLU 126 11.843 24.327 -10.179 949 HG3 GLU 126 HG3 GLU 126 12.273 22.621 -10.154 950 H HIS 127 H HIS 127 11.666 20.672 -11.261 951 HA HIS 127 HA HIS 127 12.003 18.148 -10.052 952 HB2 HIS 127 HB2 HIS 127 13.989 19.790 -11.676 953 HB3 HIS 127 HB3 HIS 127 14.130 18.071 -11.341 954 HD1 HIS 127 HD1 HIS 127 12.472 20.486 -13.606 955 HD2 HIS 127 HD2 HIS 127 12.243 16.425 -12.752 956 HE1 HIS 127 HE1 HIS 127 11.117 19.490 -15.459 957 HE2 HIS 127 HE2 HIS 127 11.144 17.019 -15.012 958 H HIS 128 H HIS 128 12.903 21.196 -8.804 959 HA HIS 128 HA HIS 128 14.214 22.025 -7.213 960 HB2 HIS 128 HB2 HIS 128 14.215 20.723 -5.007 961 HB3 HIS 128 HB3 HIS 128 12.663 21.132 -5.702 962 HD1 HIS 128 HD1 HIS 128 11.190 19.193 -6.586 963 HD2 HIS 128 HD2 HIS 128 14.729 17.951 -4.796 964 HE1 HIS 128 HE1 HIS 128 10.937 16.724 -6.248 965 HE2 HIS 128 HE2 HIS 128 13.035 16.007 -5.070 966 H HIS 129 H HIS 129 16.265 22.486 -7.093 967 HA HIS 129 HA HIS 129 18.150 20.777 -8.421 968 HB2 HIS 129 HB2 HIS 129 19.647 22.765 -8.312 969 HB3 HIS 129 HB3 HIS 129 18.056 23.137 -8.959 970 HD1 HIS 129 HD1 HIS 129 20.217 23.726 -5.924 971 HD2 HIS 129 HD2 HIS 129 16.586 25.007 -7.496 972 HE1 HIS 129 HE1 HIS 129 19.511 25.667 -4.503 973 HE2 HIS 129 HE2 HIS 129 17.450 26.559 -5.619 974 H HIS 130 H HIS 130 17.385 20.142 -5.431 975 HA HIS 130 HA HIS 130 19.967 19.028 -4.796 976 HB2 HIS 130 HB2 HIS 130 20.199 21.382 -3.916 977 HB3 HIS 130 HB3 HIS 130 18.844 21.085 -2.832 978 HD1 HIS 130 HD1 HIS 130 22.320 19.672 -3.533 979 HD2 HIS 130 HD2 HIS 130 19.643 20.131 -0.386 980 HE1 HIS 130 HE1 HIS 130 23.555 18.917 -1.484 981 HE2 HIS 130 HE2 HIS 130 21.919 19.212 0.408 982 H HIS 131 H HIS 131 19.224 16.984 -4.480 983 HA HIS 131 HA HIS 131 17.740 16.327 -2.113 984 HB2 HIS 131 HB2 HIS 131 15.866 16.915 -3.695 985 HB3 HIS 131 HB3 HIS 131 16.395 15.626 -4.768 986 HD1 HIS 131 HD1 HIS 131 15.537 13.284 -4.241 987 HD2 HIS 131 HD2 HIS 131 14.807 15.977 -1.158 988 HE1 HIS 131 HE1 HIS 131 14.066 12.062 -2.620 989 HE2 HIS 131 HE2 HIS 131 13.799 13.639 -0.685 990 H HIS 132 H HIS 132 17.868 14.116 -1.545 991 HA HIS 132 HA HIS 132 19.557 12.353 -3.233 992 HB2 HIS 132 HB2 HIS 132 18.951 12.190 -0.241 993 HB3 HIS 132 HB3 HIS 132 20.013 11.102 -1.131 994 HD1 HIS 132 HD1 HIS 132 19.942 14.370 0.575 995 HD2 HIS 132 HD2 HIS 132 22.476 12.368 -2.046 996 HE1 HIS 132 HE1 HIS 132 22.098 15.646 0.625 997 HE2 HIS 132 HE2 HIS 132 23.654 14.341 -0.855 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -3.660 16.169 -1.322 2 H2 MET 1 H2 MET 1 -4.735 14.869 -1.415 3 H3 MET 1 H3 MET 1 -5.324 16.454 -1.416 4 HA MET 1 HA MET 1 -4.339 16.909 -3.521 5 HB2 MET 1 HB2 MET 1 -3.342 14.030 -3.370 6 HB3 MET 1 HB3 MET 1 -3.215 15.058 -4.795 7 HG2 MET 1 HG2 MET 1 -1.729 16.579 -3.601 8 HG3 MET 1 HG3 MET 1 -1.908 15.632 -2.122 9 HE1 MET 1 HE1 MET 1 1.811 14.929 -3.228 10 HE2 MET 1 HE2 MET 1 0.775 15.520 -1.928 11 HE3 MET 1 HE3 MET 1 0.931 16.445 -3.425 12 H LYS 2 H LYS 2 -5.746 16.777 -5.247 13 HA LYS 2 HA LYS 2 -8.131 15.070 -4.931 14 HB2 LYS 2 HB2 LYS 2 -7.580 17.550 -6.613 15 HB3 LYS 2 HB3 LYS 2 -9.039 16.594 -6.810 16 HG2 LYS 2 HG2 LYS 2 -9.590 18.480 -5.449 17 HG3 LYS 2 HG3 LYS 2 -9.616 17.055 -4.409 18 HD2 LYS 2 HD2 LYS 2 -7.419 17.670 -3.482 19 HD3 LYS 2 HD3 LYS 2 -7.316 19.050 -4.578 20 HE2 LYS 2 HE2 LYS 2 -9.439 18.707 -2.428 21 HE3 LYS 2 HE3 LYS 2 -7.980 19.683 -2.255 22 HZ1 LYS 2 HZ1 LYS 2 -9.891 21.031 -2.849 23 HZ2 LYS 2 HZ2 LYS 2 -10.123 20.134 -4.261 24 HZ3 LYS 2 HZ3 LYS 2 -8.730 21.075 -4.079 25 H VAL 3 H VAL 3 -9.101 14.033 -6.876 26 HA VAL 3 HA VAL 3 -7.265 12.441 -8.352 27 HB VAL 3 HB VAL 3 -10.254 12.870 -8.792 28 HG11 VAL 3 HG11 VAL 3 -10.233 10.746 -10.086 29 HG12 VAL 3 HG12 VAL 3 -8.472 10.696 -9.972 30 HG13 VAL 3 HG13 VAL 3 -9.261 11.994 -10.871 31 HG21 VAL 3 HG21 VAL 3 -9.714 11.918 -6.577 32 HG22 VAL 3 HG22 VAL 3 -8.769 10.639 -7.343 33 HG23 VAL 3 HG23 VAL 3 -10.514 10.715 -7.592 34 H GLY 4 H GLY 4 -6.245 12.790 -10.217 35 HA2 GLY 4 HA2 GLY 4 -6.035 13.603 -12.478 36 HA3 GLY 4 HA3 GLY 4 -7.010 14.998 -12.044 37 H SER 5 H SER 5 -4.986 14.569 -9.469 38 HA SER 5 HA SER 5 -3.252 16.759 -10.134 39 HB2 SER 5 HB2 SER 5 -3.271 14.874 -7.746 40 HB3 SER 5 HB3 SER 5 -2.192 16.262 -7.890 41 HG SER 5 HG SER 5 -5.031 16.404 -7.977 42 H GLN 6 H GLN 6 -1.267 16.735 -11.035 43 HA GLN 6 HA GLN 6 0.195 14.190 -11.416 44 HB2 GLN 6 HB2 GLN 6 0.575 16.912 -12.735 45 HB3 GLN 6 HB3 GLN 6 1.591 15.502 -13.044 46 HG2 GLN 6 HG2 GLN 6 -0.359 14.283 -13.931 47 HG3 GLN 6 HG3 GLN 6 -1.387 15.682 -13.609 48 HE21 GLN 6 HE21 GLN 6 1.163 14.402 -15.635 49 HE22 GLN 6 HE22 GLN 6 1.038 15.592 -16.877 50 H VAL 7 H VAL 7 1.881 13.753 -10.137 51 HA VAL 7 HA VAL 7 3.154 15.843 -8.471 52 HB VAL 7 HB VAL 7 2.862 14.452 -6.406 53 HG11 VAL 7 HG11 VAL 7 0.491 15.003 -5.965 54 HG12 VAL 7 HG12 VAL 7 0.224 15.252 -7.693 55 HG13 VAL 7 HG13 VAL 7 1.314 16.321 -6.805 56 HG21 VAL 7 HG21 VAL 7 0.975 12.737 -8.078 57 HG22 VAL 7 HG22 VAL 7 1.196 12.609 -6.331 58 HG23 VAL 7 HG23 VAL 7 2.529 12.222 -7.418 59 H ILE 8 H ILE 8 5.216 15.229 -7.571 60 HA ILE 8 HA ILE 8 6.574 12.975 -8.942 61 HB ILE 8 HB ILE 8 7.769 15.352 -7.434 62 HG12 ILE 8 HG12 ILE 8 6.686 16.067 -9.535 63 HG13 ILE 8 HG13 ILE 8 8.432 16.209 -9.670 64 HG21 ILE 8 HG21 ILE 8 9.187 13.197 -9.060 65 HG22 ILE 8 HG22 ILE 8 9.285 13.429 -7.312 66 HG23 ILE 8 HG23 ILE 8 9.952 14.646 -8.399 67 HD11 ILE 8 HD11 ILE 8 7.465 15.372 -11.719 68 HD12 ILE 8 HD12 ILE 8 6.725 14.020 -10.864 69 HD13 ILE 8 HD13 ILE 8 8.484 14.131 -10.991 70 H ILE 9 H ILE 9 7.263 11.211 -7.779 71 HA ILE 9 HA ILE 9 6.189 10.946 -5.056 72 HB ILE 9 HB ILE 9 7.537 8.780 -6.727 73 HG12 ILE 9 HG12 ILE 9 4.550 9.406 -6.624 74 HG13 ILE 9 HG13 ILE 9 5.602 9.781 -7.983 75 HG21 ILE 9 HG21 ILE 9 5.595 8.581 -4.394 76 HG22 ILE 9 HG22 ILE 9 7.325 8.230 -4.339 77 HG23 ILE 9 HG23 ILE 9 6.251 7.218 -5.303 78 HD11 ILE 9 HD11 ILE 9 6.017 7.383 -8.314 79 HD12 ILE 9 HD12 ILE 9 4.304 7.784 -8.413 80 HD13 ILE 9 HD13 ILE 9 4.942 7.016 -6.961 81 H ASN 10 H ASN 10 7.453 10.836 -3.178 82 HA ASN 10 HA ASN 10 10.373 11.166 -3.488 83 HB2 ASN 10 HB2 ASN 10 10.333 11.909 -1.077 84 HB3 ASN 10 HB3 ASN 10 9.413 12.930 -2.170 85 HD21 ASN 10 HD21 ASN 10 7.162 12.998 -1.975 86 HD22 ASN 10 HD22 ASN 10 6.343 12.372 -0.590 87 H THR 11 H THR 11 8.101 9.212 -1.469 88 HA THR 11 HA THR 11 10.264 7.333 -0.744 89 HB THR 11 HB THR 11 7.331 7.298 0.131 90 HG1 THR 11 HG1 THR 11 8.042 9.085 1.091 91 HG21 THR 11 HG21 THR 11 9.752 5.898 1.327 92 HG22 THR 11 HG22 THR 11 8.441 5.114 0.441 93 HG23 THR 11 HG23 THR 11 8.120 5.882 1.997 94 H SER 12 H SER 12 10.245 5.126 -1.415 95 HA SER 12 HA SER 12 8.380 4.478 -3.633 96 HB2 SER 12 HB2 SER 12 10.241 3.636 -4.973 97 HB3 SER 12 HB3 SER 12 10.548 5.308 -4.528 98 HG SER 12 HG SER 12 11.687 4.011 -2.626 99 H HIS 13 H HIS 13 7.359 2.637 -3.355 100 HA HIS 13 HA HIS 13 8.299 0.471 -1.643 101 HB2 HIS 13 HB2 HIS 13 5.897 0.510 -3.534 102 HB3 HIS 13 HB3 HIS 13 6.180 -0.625 -2.218 103 HD2 HIS 13 HD2 HIS 13 6.952 2.556 -0.550 104 HE1 HIS 13 HE1 HIS 13 2.750 2.285 -0.417 105 HE2 HIS 13 HE2 HIS 13 4.759 3.569 0.364 106 H MET 14 H MET 14 7.773 1.099 -5.093 107 HA MET 14 HA MET 14 9.450 -1.200 -5.905 108 HB2 MET 14 HB2 MET 14 7.689 0.657 -7.588 109 HB3 MET 14 HB3 MET 14 8.602 -0.721 -8.205 110 HG2 MET 14 HG2 MET 14 6.288 -0.834 -6.250 111 HG3 MET 14 HG3 MET 14 6.253 -1.308 -7.952 112 HE1 MET 14 HE1 MET 14 5.190 -3.691 -7.136 113 HE2 MET 14 HE2 MET 14 5.322 -3.198 -5.446 114 HE3 MET 14 HE3 MET 14 5.989 -4.744 -5.968 115 H LYS 15 H LYS 15 11.241 -0.786 -7.430 116 HA LYS 15 HA LYS 15 12.899 1.329 -6.542 117 HB2 LYS 15 HB2 LYS 15 14.522 0.533 -8.282 118 HB3 LYS 15 HB3 LYS 15 13.925 -0.721 -7.205 119 HG2 LYS 15 HG2 LYS 15 12.393 -1.525 -8.972 120 HG3 LYS 15 HG3 LYS 15 12.978 -0.258 -10.056 121 HD2 LYS 15 HD2 LYS 15 14.079 -2.409 -10.560 122 HD3 LYS 15 HD3 LYS 15 15.255 -1.226 -9.982 123 HE2 LYS 15 HE2 LYS 15 15.133 -2.271 -7.710 124 HE3 LYS 15 HE3 LYS 15 14.028 -3.487 -8.350 125 HZ1 LYS 15 HZ1 LYS 15 15.774 -4.235 -9.829 126 HZ2 LYS 15 HZ2 LYS 15 16.288 -4.289 -8.220 127 HZ3 LYS 15 HZ3 LYS 15 16.823 -3.051 -9.239 128 H GLY 16 H GLY 16 10.931 1.044 -9.469 129 HA2 GLY 16 HA2 GLY 16 11.937 3.506 -10.677 130 HA3 GLY 16 HA3 GLY 16 10.651 2.480 -11.286 131 H MET 17 H MET 17 9.870 3.026 -8.146 132 HA MET 17 HA MET 17 7.753 4.898 -8.802 133 HB2 MET 17 HB2 MET 17 7.390 3.005 -7.227 134 HB3 MET 17 HB3 MET 17 8.575 3.685 -6.123 135 HG2 MET 17 HG2 MET 17 7.111 5.663 -5.814 136 HG3 MET 17 HG3 MET 17 5.911 4.917 -6.870 137 HE1 MET 17 HE1 MET 17 4.580 2.706 -6.253 138 HE2 MET 17 HE2 MET 17 4.821 1.796 -4.761 139 HE3 MET 17 HE3 MET 17 6.088 1.826 -5.990 140 H LYS 18 H LYS 18 10.895 4.987 -7.240 141 HA LYS 18 HA LYS 18 10.818 7.487 -5.956 142 HB2 LYS 18 HB2 LYS 18 12.553 5.815 -5.505 143 HB3 LYS 18 HB3 LYS 18 13.140 5.923 -7.159 144 HG2 LYS 18 HG2 LYS 18 13.850 8.270 -6.729 145 HG3 LYS 18 HG3 LYS 18 13.292 8.116 -5.064 146 HD2 LYS 18 HD2 LYS 18 15.700 7.826 -5.109 147 HD3 LYS 18 HD3 LYS 18 14.956 6.282 -4.707 148 HE2 LYS 18 HE2 LYS 18 15.805 6.951 -7.543 149 HE3 LYS 18 HE3 LYS 18 16.929 6.267 -6.374 150 HZ1 LYS 18 HZ1 LYS 18 14.452 5.011 -7.425 151 HZ2 LYS 18 HZ2 LYS 18 15.345 4.384 -6.132 152 HZ3 LYS 18 HZ3 LYS 18 16.049 4.509 -7.661 153 H GLY 19 H GLY 19 10.543 9.451 -6.846 154 HA2 GLY 19 HA2 GLY 19 10.992 11.337 -8.108 155 HA3 GLY 19 HA3 GLY 19 12.166 10.427 -9.037 156 H ALA 20 H ALA 20 9.249 8.760 -9.085 157 HA ALA 20 HA ALA 20 8.817 9.316 -11.883 158 HB1 ALA 20 HB1 ALA 20 8.563 7.056 -10.963 159 HB2 ALA 20 HB2 ALA 20 7.065 7.600 -11.718 160 HB3 ALA 20 HB3 ALA 20 7.216 7.598 -9.957 161 H GLU 21 H GLU 21 6.965 10.250 -12.871 162 HA GLU 21 HA GLU 21 5.446 12.154 -11.261 163 HB2 GLU 21 HB2 GLU 21 6.276 12.804 -13.548 164 HB3 GLU 21 HB3 GLU 21 5.199 11.598 -14.249 165 HG2 GLU 21 HG2 GLU 21 3.277 12.863 -13.077 166 HG3 GLU 21 HG3 GLU 21 4.447 14.145 -12.780 167 H ALA 22 H ALA 22 3.947 11.121 -10.035 168 HA ALA 22 HA ALA 22 2.230 9.005 -11.041 169 HB1 ALA 22 HB1 ALA 22 2.236 10.460 -8.374 170 HB2 ALA 22 HB2 ALA 22 3.024 8.924 -8.730 171 HB3 ALA 22 HB3 ALA 22 1.267 9.035 -8.765 172 H THR 23 H THR 23 0.053 9.135 -11.367 173 HA THR 23 HA THR 23 -1.265 11.796 -11.422 174 HB THR 23 HB THR 23 -1.760 9.407 -13.276 175 HG1 THR 23 HG1 THR 23 0.164 10.931 -13.550 176 HG21 THR 23 HG21 THR 23 -3.307 10.901 -14.499 177 HG22 THR 23 HG22 THR 23 -3.058 12.162 -13.290 178 HG23 THR 23 HG23 THR 23 -3.853 10.652 -12.837 179 H VAL 24 H VAL 24 -2.794 11.900 -9.886 180 HA VAL 24 HA VAL 24 -3.559 9.624 -8.301 181 HB VAL 24 HB VAL 24 -4.741 12.444 -8.290 182 HG11 VAL 24 HG11 VAL 24 -5.578 11.889 -6.017 183 HG12 VAL 24 HG12 VAL 24 -4.989 10.236 -6.202 184 HG13 VAL 24 HG13 VAL 24 -6.286 10.831 -7.241 185 HG21 VAL 24 HG21 VAL 24 -3.268 12.863 -6.336 186 HG22 VAL 24 HG22 VAL 24 -2.325 12.477 -7.778 187 HG23 VAL 24 HG23 VAL 24 -2.556 11.256 -6.524 188 H THR 25 H THR 25 -4.755 8.100 -9.363 189 HA THR 25 HA THR 25 -6.998 8.835 -11.119 190 HB THR 25 HB THR 25 -7.098 6.455 -11.746 191 HG1 THR 25 HG1 THR 25 -4.913 6.008 -9.969 192 HG21 THR 25 HG21 THR 25 -5.460 7.861 -12.951 193 HG22 THR 25 HG22 THR 25 -4.892 6.194 -12.811 194 HG23 THR 25 HG23 THR 25 -4.228 7.444 -11.757 195 H GLY 26 H GLY 26 -6.466 8.077 -7.851 196 HA2 GLY 26 HA2 GLY 26 -9.299 8.141 -7.284 197 HA3 GLY 26 HA3 GLY 26 -8.530 6.605 -6.892 198 H ALA 27 H ALA 27 -9.659 9.009 -5.295 199 HA ALA 27 HA ALA 27 -7.402 9.299 -3.376 200 HB1 ALA 27 HB1 ALA 27 -8.400 11.452 -2.684 201 HB2 ALA 27 HB2 ALA 27 -9.684 11.260 -3.883 202 HB3 ALA 27 HB3 ALA 27 -8.011 11.463 -4.405 203 H TYR 28 H TYR 28 -7.772 7.888 -1.758 204 HA TYR 28 HA TYR 28 -10.546 7.222 -0.899 205 HB2 TYR 28 HB2 TYR 28 -8.000 5.534 -0.760 206 HB3 TYR 28 HB3 TYR 28 -9.574 5.030 -0.161 207 HD1 TYR 28 HD1 TYR 28 -7.899 6.143 -3.350 208 HD2 TYR 28 HD2 TYR 28 -10.954 3.726 -1.582 209 HE1 TYR 28 HE1 TYR 28 -8.390 5.157 -5.544 210 HE2 TYR 28 HE2 TYR 28 -11.441 2.744 -3.779 211 HH TYR 28 HH TYR 28 -11.159 3.465 -6.233 212 H ASP 29 H ASP 29 -11.067 7.799 1.196 213 HA ASP 29 HA ASP 29 -8.860 8.140 3.172 214 HB2 ASP 29 HB2 ASP 29 -10.165 10.241 2.641 215 HB3 ASP 29 HB3 ASP 29 -11.610 9.459 3.277 216 H THR 30 H THR 30 -8.769 6.093 3.926 217 HA THR 30 HA THR 30 -11.076 4.980 5.406 218 HB THR 30 HB THR 30 -11.113 3.868 3.226 219 HG1 THR 30 HG1 THR 30 -11.316 1.892 4.035 220 HG21 THR 30 HG21 THR 30 -8.782 4.233 2.521 221 HG22 THR 30 HG22 THR 30 -9.223 2.529 2.388 222 HG23 THR 30 HG23 THR 30 -8.230 3.074 3.737 223 H THR 31 H THR 31 -10.217 2.869 6.639 224 HA THR 31 HA THR 31 -8.001 3.611 8.339 225 HB THR 31 HB THR 31 -9.280 0.837 8.254 226 HG1 THR 31 HG1 THR 31 -11.064 1.647 9.010 227 HG21 THR 31 HG21 THR 31 -7.295 1.099 9.732 228 HG22 THR 31 HG22 THR 31 -8.766 0.820 10.668 229 HG23 THR 31 HG23 THR 31 -8.096 2.447 10.550 230 H ALA 32 H ALA 32 -5.889 3.299 7.766 231 HA ALA 32 HA ALA 32 -5.131 1.189 5.837 232 HB1 ALA 32 HB1 ALA 32 -3.037 2.449 5.542 233 HB2 ALA 32 HB2 ALA 32 -3.555 3.623 6.759 234 HB3 ALA 32 HB3 ALA 32 -4.441 3.475 5.239 235 H TYR 33 H TYR 33 -3.332 -0.183 6.337 236 HA TYR 33 HA TYR 33 -2.598 -0.444 9.193 237 HB2 TYR 33 HB2 TYR 33 -3.430 -2.739 7.350 238 HB3 TYR 33 HB3 TYR 33 -2.802 -2.929 8.984 239 HD1 TYR 33 HD1 TYR 33 -4.164 -1.779 10.912 240 HD2 TYR 33 HD2 TYR 33 -5.786 -2.565 7.035 241 HE1 TYR 33 HE1 TYR 33 -6.438 -1.624 11.829 242 HE2 TYR 33 HE2 TYR 33 -8.056 -2.412 7.959 243 HH TYR 33 HH TYR 33 -8.758 -1.115 10.968 244 H VAL 34 H VAL 34 -0.555 -1.080 9.611 245 HA VAL 34 HA VAL 34 1.321 -1.777 7.423 246 HB VAL 34 HB VAL 34 1.905 -0.919 10.309 247 HG11 VAL 34 HG11 VAL 34 3.819 -1.341 7.979 248 HG12 VAL 34 HG12 VAL 34 3.692 -2.355 9.420 249 HG13 VAL 34 HG13 VAL 34 4.263 -0.691 9.559 250 HG21 VAL 34 HG21 VAL 34 0.954 0.952 9.019 251 HG22 VAL 34 HG22 VAL 34 2.157 0.708 7.750 252 HG23 VAL 34 HG23 VAL 34 2.666 1.236 9.356 253 H VAL 35 H VAL 35 1.722 -3.979 7.238 254 HA VAL 35 HA VAL 35 1.295 -5.715 9.631 255 HB VAL 35 HB VAL 35 0.438 -7.508 8.090 256 HG11 VAL 35 HG11 VAL 35 -1.830 -6.558 7.775 257 HG12 VAL 35 HG12 VAL 35 -1.191 -4.932 8.039 258 HG13 VAL 35 HG13 VAL 35 -1.162 -6.116 9.348 259 HG21 VAL 35 HG21 VAL 35 1.437 -6.733 5.962 260 HG22 VAL 35 HG22 VAL 35 0.392 -5.312 5.970 261 HG23 VAL 35 HG23 VAL 35 -0.311 -6.923 5.790 262 H SER 36 H SER 36 2.714 -7.387 9.984 263 HA SER 36 HA SER 36 4.990 -7.780 8.109 264 HB2 SER 36 HB2 SER 36 4.875 -8.111 11.138 265 HB3 SER 36 HB3 SER 36 6.215 -8.698 10.151 266 HG SER 36 HG SER 36 5.505 -6.115 10.849 267 H TYR 37 H TYR 37 5.401 -9.813 7.336 268 HA TYR 37 HA TYR 37 4.193 -12.202 8.362 269 HB2 TYR 37 HB2 TYR 37 2.711 -12.722 6.442 270 HB3 TYR 37 HB3 TYR 37 2.169 -11.303 7.314 271 HD1 TYR 37 HD2 TYR 37 2.426 -9.019 6.274 272 HD2 TYR 37 HD1 TYR 37 3.335 -12.581 4.084 273 HE1 TYR 37 HE2 TYR 37 2.309 -7.758 4.171 274 HE2 TYR 37 HE1 TYR 37 3.215 -11.314 1.983 275 HH TYR 37 HH TYR 37 3.174 -7.912 1.879 276 H THR 38 H THR 38 4.630 -14.085 7.000 277 HA THR 38 HA THR 38 7.107 -13.766 5.391 278 HB THR 38 HB THR 38 6.351 -16.219 7.050 279 HG1 THR 38 HG1 THR 38 6.888 -14.532 8.435 280 HG21 THR 38 HG21 THR 38 8.680 -16.935 6.635 281 HG22 THR 38 HG22 THR 38 8.962 -15.499 5.648 282 HG23 THR 38 HG23 THR 38 7.818 -16.732 5.107 283 HA PRO 39 HA PRO 39 4.188 -15.197 2.163 284 HB2 PRO 39 HB2 PRO 39 6.180 -15.517 0.197 285 HB3 PRO 39 HB3 PRO 39 5.293 -14.026 0.528 286 HG2 PRO 39 HG2 PRO 39 8.010 -14.881 1.489 287 HG3 PRO 39 HG3 PRO 39 7.475 -13.284 0.931 288 HD2 PRO 39 HD2 PRO 39 7.779 -13.797 3.545 289 HD3 PRO 39 HD3 PRO 39 6.432 -12.780 2.978 290 H THR 40 H THR 40 3.416 -17.201 1.821 291 HA THR 40 HA THR 40 4.508 -19.423 3.195 292 HB THR 40 HB THR 40 2.569 -20.712 2.370 293 HG1 THR 40 HG1 THR 40 1.522 -20.137 0.600 294 HG21 THR 40 HG21 THR 40 0.742 -19.278 3.189 295 HG22 THR 40 HG22 THR 40 1.768 -17.849 3.045 296 HG23 THR 40 HG23 THR 40 2.159 -19.106 4.226 297 H ASN 41 H ASN 41 5.013 -18.432 -0.074 298 HA ASN 41 HA ASN 41 5.827 -21.042 -1.087 299 HB2 ASN 41 HB2 ASN 41 5.882 -18.249 -2.296 300 HB3 ASN 41 HB3 ASN 41 6.544 -19.653 -3.131 301 HD21 ASN 41 HD21 ASN 41 3.587 -18.295 -1.772 302 HD22 ASN 41 HD22 ASN 41 2.501 -19.200 -2.759 303 H GLY 42 H GLY 42 7.286 -19.278 1.164 304 HA2 GLY 42 HA2 GLY 42 9.355 -19.619 2.123 305 HA3 GLY 42 HA3 GLY 42 9.845 -20.550 0.715 306 H GLY 43 H GLY 43 8.809 -17.174 1.229 307 HA2 GLY 43 HA2 GLY 43 11.126 -16.210 -0.361 308 HA3 GLY 43 HA3 GLY 43 9.634 -15.325 -0.080 309 H GLN 44 H GLN 44 11.469 -13.710 0.362 310 HA GLN 44 HA GLN 44 12.669 -13.758 3.010 311 HB2 GLN 44 HB2 GLN 44 13.475 -12.469 0.843 312 HB3 GLN 44 HB3 GLN 44 12.340 -11.231 1.351 313 HG2 GLN 44 HG2 GLN 44 14.758 -12.213 2.903 314 HG3 GLN 44 HG3 GLN 44 14.623 -10.686 2.039 315 HE21 GLN 44 HE21 GLN 44 13.233 -9.045 2.935 316 HE22 GLN 44 HE22 GLN 44 12.840 -9.055 4.618 317 H ARG 45 H ARG 45 11.581 -13.284 4.865 318 HA ARG 45 HA ARG 45 8.937 -12.682 5.182 319 HB2 ARG 45 HB2 ARG 45 10.345 -13.495 7.015 320 HB3 ARG 45 HB3 ARG 45 11.236 -11.974 7.056 321 HG2 ARG 45 HG2 ARG 45 9.185 -10.787 7.787 322 HG3 ARG 45 HG3 ARG 45 8.283 -12.304 7.728 323 HD2 ARG 45 HD2 ARG 45 8.910 -11.775 10.028 324 HD3 ARG 45 HD3 ARG 45 9.735 -13.241 9.494 325 HE ARG 45 HE ARG 45 11.134 -10.644 9.403 326 HH11 ARG 45 HH11 ARG 45 10.958 -13.847 10.727 327 HH12 ARG 45 HH12 ARG 45 12.466 -13.699 11.546 328 HH21 ARG 45 HH21 ARG 45 13.056 -10.493 10.473 329 HH22 ARG 45 HH22 ARG 45 13.646 -11.823 11.398 330 H VAL 46 H VAL 46 7.770 -11.008 4.549 331 HA VAL 46 HA VAL 46 8.870 -8.430 3.877 332 HB VAL 46 HB VAL 46 5.928 -9.241 4.013 333 HG11 VAL 46 HG11 VAL 46 7.279 -6.985 2.465 334 HG12 VAL 46 HG12 VAL 46 6.244 -6.799 3.882 335 HG13 VAL 46 HG13 VAL 46 5.564 -7.410 2.374 336 HG21 VAL 46 HG21 VAL 46 7.143 -10.804 2.555 337 HG22 VAL 46 HG22 VAL 46 7.839 -9.457 1.650 338 HG23 VAL 46 HG23 VAL 46 6.100 -9.755 1.592 339 H ASP 47 H ASP 47 9.595 -7.338 5.623 340 HA ASP 47 HA ASP 47 8.136 -7.203 8.156 341 HB2 ASP 47 HB2 ASP 47 10.607 -7.469 8.150 342 HB3 ASP 47 HB3 ASP 47 10.782 -5.943 7.292 343 H HIS 48 H HIS 48 6.605 -5.689 8.443 344 HA HIS 48 HA HIS 48 5.302 -3.845 8.335 345 HB2 HIS 48 HB2 HIS 48 7.967 -2.435 7.890 346 HB3 HIS 48 HB3 HIS 48 6.465 -1.623 8.310 347 HD1 HIS 48 HD1 HIS 48 7.920 -0.756 10.372 348 HD2 HIS 48 HD2 HIS 48 7.002 -4.800 10.410 349 HE1 HIS 48 HE1 HIS 48 8.315 -1.512 12.727 350 HE2 HIS 48 HE2 HIS 48 7.485 -3.874 12.766 351 H HIS 49 H HIS 49 4.809 -5.092 6.184 352 HA HIS 49 HA HIS 49 5.273 -4.000 3.651 353 HB2 HIS 49 HB2 HIS 49 4.264 -6.232 4.025 354 HB3 HIS 49 HB3 HIS 49 2.807 -5.484 4.667 355 HD2 HIS 49 HD2 HIS 49 0.996 -4.592 2.780 356 HE1 HIS 49 HE1 HIS 49 3.241 -5.793 -0.593 357 HE2 HIS 49 HE2 HIS 49 1.085 -4.734 0.197 358 H LYS 50 H LYS 50 4.713 -2.080 2.798 359 HA LYS 50 HA LYS 50 2.240 -0.711 3.651 360 HB2 LYS 50 HB2 LYS 50 4.984 0.497 3.079 361 HB3 LYS 50 HB3 LYS 50 3.510 1.456 3.187 362 HG2 LYS 50 HG2 LYS 50 3.220 0.716 5.544 363 HG3 LYS 50 HG3 LYS 50 4.739 -0.188 5.436 364 HD2 LYS 50 HD2 LYS 50 5.981 1.889 5.037 365 HD3 LYS 50 HD3 LYS 50 4.480 2.818 4.999 366 HE2 LYS 50 HE2 LYS 50 4.089 2.238 7.384 367 HE3 LYS 50 HE3 LYS 50 5.623 1.361 7.408 368 HZ1 LYS 50 HZ1 LYS 50 5.831 3.601 8.302 369 HZ2 LYS 50 HZ2 LYS 50 5.302 4.257 6.836 370 HZ3 LYS 50 HZ3 LYS 50 6.771 3.418 6.909 371 H TRP 51 H TRP 51 1.465 0.080 0.237 372 HA TRP 51 HA TRP 51 0.754 -0.247 3.099 373 HB2 TRP 51 HB2 TRP 51 -0.278 1.746 1.048 374 HB3 TRP 51 HB3 TRP 51 -1.132 1.428 2.554 375 HD1 TRP 51 HD1 TRP 51 1.986 3.173 1.200 376 HE1 TRP 51 HE1 TRP 51 2.976 4.644 3.049 377 HE3 TRP 51 HE3 TRP 51 -0.915 1.610 5.126 378 HZ2 TRP 51 HZ2 TRP 51 2.595 5.101 5.818 379 HZ3 TRP 51 HZ3 TRP 51 -0.543 2.616 7.346 380 HH2 TRP 51 HH2 TRP 51 1.178 4.329 7.682 381 H VAL 52 H VAL 52 -1.031 -1.235 3.677 382 HA VAL 52 HA VAL 52 -2.979 -2.243 1.684 383 HB VAL 52 HB VAL 52 -3.562 -4.084 3.308 384 HG11 VAL 52 HG11 VAL 52 -1.688 -5.586 2.762 385 HG12 VAL 52 HG12 VAL 52 -0.697 -4.200 2.303 386 HG13 VAL 52 HG13 VAL 52 -2.143 -4.596 1.370 387 HG21 VAL 52 HG21 VAL 52 -2.655 -3.117 5.394 388 HG22 VAL 52 HG22 VAL 52 -1.011 -3.293 4.778 389 HG23 VAL 52 HG23 VAL 52 -1.986 -4.727 5.108 390 H ILE 53 H ILE 53 -5.196 -2.080 2.366 391 HA ILE 53 HA ILE 53 -5.667 -0.340 4.734 392 HB ILE 53 HB ILE 53 -7.593 0.683 3.613 393 HG12 ILE 53 HG12 ILE 53 -6.825 -0.942 1.140 394 HG13 ILE 53 HG13 ILE 53 -8.247 -1.227 2.133 395 HG21 ILE 53 HG21 ILE 53 -5.079 0.847 1.910 396 HG22 ILE 53 HG22 ILE 53 -5.405 1.772 3.379 397 HG23 ILE 53 HG23 ILE 53 -6.383 2.037 1.936 398 HD11 ILE 53 HD11 ILE 53 -8.840 -0.099 0.090 399 HD12 ILE 53 HD12 ILE 53 -7.703 1.204 0.431 400 HD13 ILE 53 HD13 ILE 53 -9.122 0.979 1.459 401 H GLN 54 H GLN 54 -8.169 -0.461 5.261 402 HA GLN 54 HA GLN 54 -8.868 -2.785 6.444 403 HB2 GLN 54 HB2 GLN 54 -9.875 -0.565 6.826 404 HB3 GLN 54 HB3 GLN 54 -10.737 -0.681 5.296 405 HG2 GLN 54 HG2 GLN 54 -12.188 -2.359 6.111 406 HG3 GLN 54 HG3 GLN 54 -11.154 -2.702 7.495 407 HE21 GLN 54 HE21 GLN 54 -11.187 -1.283 9.275 408 HE22 GLN 54 HE22 GLN 54 -12.484 -0.172 9.512 409 H GLU 55 H GLU 55 -9.518 -1.993 3.038 410 HA GLU 55 HA GLU 55 -11.315 -4.043 2.385 411 HB2 GLU 55 HB2 GLU 55 -10.666 -1.987 1.033 412 HB3 GLU 55 HB3 GLU 55 -9.201 -2.836 0.571 413 HG2 GLU 55 HG2 GLU 55 -10.723 -3.060 -1.235 414 HG3 GLU 55 HG3 GLU 55 -10.651 -4.634 -0.444 415 H GLU 56 H GLU 56 -7.868 -4.258 2.999 416 HA GLU 56 HA GLU 56 -7.422 -6.611 1.320 417 HB2 GLU 56 HB2 GLU 56 -5.660 -4.765 2.945 418 HB3 GLU 56 HB3 GLU 56 -5.057 -6.378 2.602 419 HG2 GLU 56 HG2 GLU 56 -4.211 -4.772 0.981 420 HG3 GLU 56 HG3 GLU 56 -5.211 -5.987 0.211 421 H ILE 57 H ILE 57 -8.610 -6.153 4.507 422 HA ILE 57 HA ILE 57 -7.534 -8.755 5.450 423 HB ILE 57 HB ILE 57 -8.010 -6.226 7.110 424 HG12 ILE 57 HG12 ILE 57 -5.399 -7.651 6.388 425 HG13 ILE 57 HG13 ILE 57 -5.942 -6.120 5.713 426 HG21 ILE 57 HG21 ILE 57 -8.577 -8.228 8.422 427 HG22 ILE 57 HG22 ILE 57 -7.083 -7.513 9.023 428 HG23 ILE 57 HG23 ILE 57 -7.020 -8.960 8.018 429 HD11 ILE 57 HD11 ILE 57 -5.755 -5.106 7.955 430 HD12 ILE 57 HD12 ILE 57 -4.231 -5.758 7.353 431 HD13 ILE 57 HD13 ILE 57 -5.145 -6.645 8.574 432 H LYS 58 H LYS 58 -8.975 -10.142 6.361 433 HA LYS 58 HA LYS 58 -11.803 -9.805 5.869 434 HB2 LYS 58 HB2 LYS 58 -10.518 -11.893 5.469 435 HB3 LYS 58 HB3 LYS 58 -10.251 -12.066 7.187 436 HG2 LYS 58 HG2 LYS 58 -12.528 -12.619 7.601 437 HG3 LYS 58 HG3 LYS 58 -13.040 -12.038 6.012 438 HD2 LYS 58 HD2 LYS 58 -12.971 -14.534 6.145 439 HD3 LYS 58 HD3 LYS 58 -11.915 -13.879 4.895 440 HE2 LYS 58 HE2 LYS 58 -10.018 -14.090 6.683 441 HE3 LYS 58 HE3 LYS 58 -11.148 -15.136 7.548 442 HZ1 LYS 58 HZ1 LYS 58 -10.074 -15.528 4.809 443 HZ2 LYS 58 HZ2 LYS 58 -11.276 -16.492 5.505 444 HZ3 LYS 58 HZ3 LYS 58 -9.730 -16.456 6.184 445 H ASP 59 H ASP 59 -9.735 -9.895 8.715 446 HA ASP 59 HA ASP 59 -11.829 -10.227 10.657 447 HB2 ASP 59 HB2 ASP 59 -9.554 -11.154 10.946 448 HB3 ASP 59 HB3 ASP 59 -8.881 -9.528 10.978 449 H ALA 60 H ALA 60 -10.556 -7.427 9.034 450 HA ALA 60 HA ALA 60 -10.596 -5.399 10.844 451 HB1 ALA 60 HB1 ALA 60 -11.592 -5.249 7.992 452 HB2 ALA 60 HB2 ALA 60 -9.902 -5.199 8.501 453 HB3 ALA 60 HB3 ALA 60 -10.999 -3.898 8.968 454 H GLY 61 H GLY 61 -13.560 -6.185 8.857 455 HA2 GLY 61 HA2 GLY 61 -15.786 -5.934 9.327 456 HA3 GLY 61 HA3 GLY 61 -15.326 -6.154 11.005 457 H ASP 62 H ASP 62 -14.390 -3.432 8.941 458 HA ASP 62 HA ASP 62 -14.657 -1.211 9.032 459 HB2 ASP 62 HB2 ASP 62 -17.323 -1.876 10.340 460 HB3 ASP 62 HB3 ASP 62 -16.863 -0.248 9.845 461 H LYS 63 H LYS 63 -13.513 -2.765 11.463 462 HA LYS 63 HA LYS 63 -13.629 -0.577 13.474 463 HB2 LYS 63 HB2 LYS 63 -13.229 -2.110 15.188 464 HB3 LYS 63 HB3 LYS 63 -14.139 -3.118 14.072 465 HG2 LYS 63 HG2 LYS 63 -11.940 -4.030 13.225 466 HG3 LYS 63 HG3 LYS 63 -11.126 -3.106 14.481 467 HD2 LYS 63 HD2 LYS 63 -11.372 -5.410 15.212 468 HD3 LYS 63 HD3 LYS 63 -12.393 -4.375 16.209 469 HE2 LYS 63 HE2 LYS 63 -14.380 -5.080 14.940 470 HE3 LYS 63 HE3 LYS 63 -13.375 -6.056 13.865 471 HZ1 LYS 63 HZ1 LYS 63 -12.775 -7.443 15.724 472 HZ2 LYS 63 HZ2 LYS 63 -14.457 -7.375 15.584 473 HZ3 LYS 63 HZ3 LYS 63 -13.670 -6.485 16.791 474 H THR 64 H THR 64 -11.478 -0.368 14.751 475 HA THR 64 HA THR 64 -9.121 -0.272 12.982 476 HB THR 64 HB THR 64 -9.606 0.874 15.776 477 HG1 THR 64 HG1 THR 64 -9.516 2.873 14.638 478 HG21 THR 64 HG21 THR 64 -7.144 1.168 14.012 479 HG22 THR 64 HG22 THR 64 -7.216 0.314 15.555 480 HG23 THR 64 HG23 THR 64 -7.440 2.065 15.505 481 H LEU 65 H LEU 65 -7.939 -2.129 12.945 482 HA LEU 65 HA LEU 65 -7.890 -4.085 15.076 483 HB2 LEU 65 HB2 LEU 65 -6.180 -3.880 12.564 484 HB3 LEU 65 HB3 LEU 65 -6.260 -5.280 13.626 485 HG LEU 65 HG LEU 65 -8.583 -4.207 11.960 486 HD11 LEU 65 HD11 LEU 65 -6.835 -5.179 10.552 487 HD12 LEU 65 HD12 LEU 65 -8.280 -6.188 10.559 488 HD13 LEU 65 HD13 LEU 65 -6.868 -6.667 11.506 489 HD21 LEU 65 HD21 LEU 65 -9.758 -6.279 12.595 490 HD22 LEU 65 HD22 LEU 65 -9.381 -5.301 14.011 491 HD23 LEU 65 HD23 LEU 65 -8.415 -6.735 13.648 492 H GLN 66 H GLN 66 -6.195 -4.481 16.542 493 HA GLN 66 HA GLN 66 -4.542 -2.116 17.111 494 HB2 GLN 66 HB2 GLN 66 -5.374 -4.451 18.888 495 HB3 GLN 66 HB3 GLN 66 -4.392 -3.092 19.414 496 HG2 GLN 66 HG2 GLN 66 -6.452 -2.440 20.202 497 HG3 GLN 66 HG3 GLN 66 -6.466 -1.654 18.629 498 HE21 GLN 66 HE21 GLN 66 -8.712 -2.384 20.280 499 HE22 GLN 66 HE22 GLN 66 -9.695 -3.436 19.338 500 HA PRO 67 HA PRO 67 -0.502 -4.061 16.352 501 HB2 PRO 67 HB2 PRO 67 0.156 -3.005 19.112 502 HB3 PRO 67 HB3 PRO 67 1.094 -2.893 17.611 503 HG2 PRO 67 HG2 PRO 67 -0.282 -0.781 18.457 504 HG3 PRO 67 HG3 PRO 67 -0.275 -1.194 16.728 505 HD2 PRO 67 HD2 PRO 67 -2.440 -1.640 18.776 506 HD3 PRO 67 HD3 PRO 67 -2.579 -1.172 17.066 507 H GLY 68 H GLY 68 -0.197 -6.218 16.493 508 HA2 GLY 68 HA2 GLY 68 0.553 -8.134 17.796 509 HA3 GLY 68 HA3 GLY 68 -0.521 -7.645 19.097 510 H ASP 69 H ASP 69 -2.553 -7.098 16.683 511 HA ASP 69 HA ASP 69 -3.947 -9.579 16.866 512 HB2 ASP 69 HB2 ASP 69 -4.381 -7.028 15.298 513 HB3 ASP 69 HB3 ASP 69 -5.309 -8.457 14.847 514 H GLN 70 H GLN 70 -3.567 -11.388 15.852 515 HA GLN 70 HA GLN 70 -2.069 -11.545 13.327 516 HB2 GLN 70 HB2 GLN 70 -3.165 -13.733 15.146 517 HB3 GLN 70 HB3 GLN 70 -2.291 -14.045 13.648 518 HG2 GLN 70 HG2 GLN 70 -1.158 -12.586 16.054 519 HG3 GLN 70 HG3 GLN 70 -0.884 -14.286 15.675 520 HE21 GLN 70 HE21 GLN 70 1.091 -12.208 15.975 521 HE22 GLN 70 HE22 GLN 70 1.939 -12.099 14.479 522 H VAL 71 H VAL 71 -3.051 -11.611 11.428 523 HA VAL 71 HA VAL 71 -5.923 -12.266 11.146 524 HB VAL 71 HB VAL 71 -6.186 -10.340 9.581 525 HG11 VAL 71 HG11 VAL 71 -6.848 -10.018 11.930 526 HG12 VAL 71 HG12 VAL 71 -6.223 -8.515 11.252 527 HG13 VAL 71 HG13 VAL 71 -5.214 -9.478 12.335 528 HG21 VAL 71 HG21 VAL 71 -3.843 -10.072 8.825 529 HG22 VAL 71 HG22 VAL 71 -3.369 -9.517 10.431 530 HG23 VAL 71 HG23 VAL 71 -4.466 -8.540 9.450 531 H ILE 72 H ILE 72 -6.540 -12.684 8.851 532 HA ILE 72 HA ILE 72 -4.336 -13.690 7.137 533 HB ILE 72 HB ILE 72 -7.278 -14.503 7.201 534 HG12 ILE 72 HG12 ILE 72 -5.930 -15.455 9.060 535 HG13 ILE 72 HG13 ILE 72 -6.475 -16.708 7.954 536 HG21 ILE 72 HG21 ILE 72 -5.105 -15.521 5.328 537 HG22 ILE 72 HG22 ILE 72 -6.513 -14.557 4.875 538 HG23 ILE 72 HG23 ILE 72 -6.730 -16.199 5.476 539 HD11 ILE 72 HD11 ILE 72 -3.693 -15.534 8.073 540 HD12 ILE 72 HD12 ILE 72 -4.230 -16.800 6.964 541 HD13 ILE 72 HD13 ILE 72 -4.203 -17.101 8.700 542 H LEU 73 H LEU 73 -4.095 -12.856 5.109 543 HA LEU 73 HA LEU 73 -5.529 -10.423 4.407 544 HB2 LEU 73 HB2 LEU 73 -3.268 -11.865 2.964 545 HB3 LEU 73 HB3 LEU 73 -3.845 -10.243 2.599 546 HG LEU 73 HG LEU 73 -2.511 -11.070 5.221 547 HD11 LEU 73 HD11 LEU 73 -1.349 -9.470 2.919 548 HD12 LEU 73 HD12 LEU 73 -0.919 -11.124 3.359 549 HD13 LEU 73 HD13 LEU 73 -0.559 -9.802 4.466 550 HD21 LEU 73 HD21 LEU 73 -2.420 -8.658 5.731 551 HD22 LEU 73 HD22 LEU 73 -4.083 -9.211 5.555 552 HD23 LEU 73 HD23 LEU 73 -3.318 -8.300 4.251 553 H GLU 74 H GLU 74 -7.343 -10.412 3.171 554 HA GLU 74 HA GLU 74 -7.959 -12.606 1.297 555 HB2 GLU 74 HB2 GLU 74 -9.634 -10.197 2.108 556 HB3 GLU 74 HB3 GLU 74 -10.167 -11.479 1.021 557 HG2 GLU 74 HG2 GLU 74 -9.536 -11.699 3.968 558 HG3 GLU 74 HG3 GLU 74 -11.108 -11.865 3.194 559 H ALA 75 H ALA 75 -6.011 -10.119 1.002 560 HA ALA 75 HA ALA 75 -6.588 -9.848 -1.897 561 HB1 ALA 75 HB1 ALA 75 -5.358 -7.724 -1.856 562 HB2 ALA 75 HB2 ALA 75 -5.095 -7.890 -0.116 563 HB3 ALA 75 HB3 ALA 75 -6.729 -7.677 -0.746 564 H SER 76 H SER 76 -4.712 -9.829 -3.274 565 HA SER 76 HA SER 76 -2.208 -10.919 -2.181 566 HB2 SER 76 HB2 SER 76 -3.479 -12.905 -2.899 567 HB3 SER 76 HB3 SER 76 -3.733 -12.198 -4.494 568 HG SER 76 HG SER 76 -1.964 -13.307 -4.886 569 H HIS 77 H HIS 77 -0.597 -9.702 -2.933 570 HA HIS 77 HA HIS 77 -0.710 -8.527 -5.656 571 HB2 HIS 77 HB2 HIS 77 1.025 -7.794 -3.240 572 HB3 HIS 77 HB3 HIS 77 1.123 -7.018 -4.817 573 HD2 HIS 77 HD2 HIS 77 -1.965 -7.576 -2.338 574 HE1 HIS 77 HE1 HIS 77 -1.829 -3.556 -3.635 575 HE2 HIS 77 HE2 HIS 77 -3.192 -5.295 -2.409 576 H MET 78 H MET 78 0.262 -11.275 -4.254 577 HA MET 78 HA MET 78 2.233 -12.099 -6.120 578 HB2 MET 78 HB2 MET 78 4.188 -12.326 -4.565 579 HB3 MET 78 HB3 MET 78 3.758 -10.644 -4.849 580 HG2 MET 78 HG2 MET 78 2.615 -10.545 -2.682 581 HG3 MET 78 HG3 MET 78 2.993 -12.247 -2.398 582 HE1 MET 78 HE1 MET 78 5.278 -10.304 0.145 583 HE2 MET 78 HE2 MET 78 4.023 -11.530 -0.029 584 HE3 MET 78 HE3 MET 78 3.663 -9.838 -0.386 585 H LYS 79 H LYS 79 2.984 -14.366 -5.659 586 HA LYS 79 HA LYS 79 0.963 -15.983 -4.442 587 HB2 LYS 79 HB2 LYS 79 3.779 -16.841 -5.238 588 HB3 LYS 79 HB3 LYS 79 2.424 -17.918 -4.894 589 HG2 LYS 79 HG2 LYS 79 1.220 -16.878 -6.861 590 HG3 LYS 79 HG3 LYS 79 2.714 -16.016 -7.244 591 HD2 LYS 79 HD2 LYS 79 2.248 -19.026 -7.255 592 HD3 LYS 79 HD3 LYS 79 2.599 -17.991 -8.641 593 HE2 LYS 79 HE2 LYS 79 4.502 -18.681 -6.370 594 HE3 LYS 79 HE3 LYS 79 4.586 -19.277 -8.026 595 HZ1 LYS 79 HZ1 LYS 79 4.989 -16.478 -7.126 596 HZ2 LYS 79 HZ2 LYS 79 4.926 -16.956 -8.743 597 HZ3 LYS 79 HZ3 LYS 79 6.162 -17.529 -7.744 598 H GLY 80 H GLY 80 0.721 -16.568 -2.372 599 HA2 GLY 80 HA2 GLY 80 1.374 -17.332 -0.241 600 HA3 GLY 80 HA3 GLY 80 2.989 -16.696 -0.495 601 H MET 81 H MET 81 0.449 -14.488 -1.294 602 HA MET 81 HA MET 81 0.867 -12.989 1.217 603 HB2 MET 81 HB2 MET 81 1.225 -11.803 -0.973 604 HB3 MET 81 HB3 MET 81 -0.479 -12.030 -1.348 605 HG2 MET 81 HG2 MET 81 -1.105 -10.656 0.581 606 HG3 MET 81 HG3 MET 81 0.594 -10.482 1.028 607 HE1 MET 81 HE1 MET 81 0.439 -7.852 1.108 608 HE2 MET 81 HE2 MET 81 -1.287 -7.960 0.749 609 HE3 MET 81 HE3 MET 81 -0.256 -6.873 -0.183 610 H LYS 82 H LYS 82 -1.938 -13.692 -0.963 611 HA LYS 82 HA LYS 82 -3.909 -13.509 1.086 612 HB2 LYS 82 HB2 LYS 82 -4.653 -13.287 -1.201 613 HB3 LYS 82 HB3 LYS 82 -3.974 -14.851 -1.642 614 HG2 LYS 82 HG2 LYS 82 -5.651 -16.006 -0.273 615 HG3 LYS 82 HG3 LYS 82 -6.301 -14.461 0.278 616 HD2 LYS 82 HD2 LYS 82 -6.277 -15.341 -2.633 617 HD3 LYS 82 HD3 LYS 82 -7.634 -15.627 -1.538 618 HE2 LYS 82 HE2 LYS 82 -7.672 -13.093 -1.159 619 HE3 LYS 82 HE3 LYS 82 -6.554 -12.969 -2.519 620 HZ1 LYS 82 HZ1 LYS 82 -8.836 -12.637 -3.197 621 HZ2 LYS 82 HZ2 LYS 82 -9.270 -14.157 -2.596 622 HZ3 LYS 82 HZ3 LYS 82 -8.216 -14.036 -3.913 623 H GLY 83 H GLY 83 -4.609 -14.977 2.569 624 HA2 GLY 83 HA2 GLY 83 -5.004 -17.084 3.530 625 HA3 GLY 83 HA3 GLY 83 -3.952 -17.840 2.345 626 H ALA 84 H ALA 84 -1.988 -15.484 3.146 627 HA ALA 84 HA ALA 84 -0.490 -17.012 5.086 628 HB1 ALA 84 HB1 ALA 84 0.127 -14.301 3.860 629 HB2 ALA 84 HB2 ALA 84 0.655 -15.865 3.234 630 HB3 ALA 84 HB3 ALA 84 1.245 -15.300 4.798 631 H THR 85 H THR 85 0.237 -16.233 7.103 632 HA THR 85 HA THR 85 -1.768 -14.740 8.618 633 HB THR 85 HB THR 85 0.724 -16.181 9.643 634 HG1 THR 85 HG1 THR 85 -0.436 -17.963 9.687 635 HG21 THR 85 HG21 THR 85 -0.454 -16.192 11.820 636 HG22 THR 85 HG22 THR 85 -1.770 -15.250 11.118 637 HG23 THR 85 HG23 THR 85 -0.161 -14.540 11.267 638 H ALA 86 H ALA 86 -1.534 -12.629 8.993 639 HA ALA 86 HA ALA 86 1.128 -11.317 8.907 640 HB1 ALA 86 HB1 ALA 86 -1.569 -10.176 8.049 641 HB2 ALA 86 HB2 ALA 86 -0.276 -10.703 6.969 642 HB3 ALA 86 HB3 ALA 86 -0.024 -9.316 8.028 643 H GLU 87 H GLU 87 1.485 -9.647 10.459 644 HA GLU 87 HA GLU 87 -0.453 -9.532 12.708 645 HB2 GLU 87 HB2 GLU 87 1.662 -10.600 13.413 646 HB3 GLU 87 HB3 GLU 87 2.578 -9.204 12.850 647 HG2 GLU 87 HG2 GLU 87 1.565 -7.780 14.543 648 HG3 GLU 87 HG3 GLU 87 0.475 -9.075 15.041 649 H ILE 88 H ILE 88 -1.322 -7.601 13.100 650 HA ILE 88 HA ILE 88 -0.716 -5.221 11.664 651 HB ILE 88 HB ILE 88 -2.232 -5.440 14.315 652 HG12 ILE 88 HG12 ILE 88 -3.210 -7.009 12.656 653 HG13 ILE 88 HG13 ILE 88 -4.314 -5.689 13.015 654 HG21 ILE 88 HG21 ILE 88 -2.413 -3.308 12.144 655 HG22 ILE 88 HG22 ILE 88 -1.670 -3.116 13.734 656 HG23 ILE 88 HG23 ILE 88 -3.410 -3.382 13.603 657 HD11 ILE 88 HD11 ILE 88 -2.608 -5.951 10.542 658 HD12 ILE 88 HD12 ILE 88 -3.714 -4.619 10.892 659 HD13 ILE 88 HD13 ILE 88 -4.341 -6.252 10.665 660 H ASP 89 H ASP 89 1.335 -4.327 11.937 661 HA ASP 89 HA ASP 89 2.669 -4.023 14.470 662 HB2 ASP 89 HB2 ASP 89 3.124 -2.493 11.869 663 HB3 ASP 89 HB3 ASP 89 4.236 -2.567 13.233 664 H SER 90 H SER 90 0.498 -2.095 12.474 665 HA SER 90 HA SER 90 -0.085 -0.165 14.527 666 HB2 SER 90 HB2 SER 90 2.104 0.726 13.738 667 HB3 SER 90 HB3 SER 90 1.487 0.800 12.088 668 HG SER 90 HG SER 90 1.142 2.802 12.828 669 H ALA 91 H ALA 91 -1.843 1.200 13.994 670 HA ALA 91 HA ALA 91 -3.181 0.815 11.370 671 HB1 ALA 91 HB1 ALA 91 -5.365 0.852 12.521 672 HB2 ALA 91 HB2 ALA 91 -4.551 0.933 14.088 673 HB3 ALA 91 HB3 ALA 91 -4.376 -0.500 13.073 674 H GLU 92 H GLU 92 -3.894 2.678 10.422 675 HA GLU 92 HA GLU 92 -3.598 5.257 11.849 676 HB2 GLU 92 HB2 GLU 92 -1.482 4.685 10.633 677 HB3 GLU 92 HB3 GLU 92 -2.380 4.584 9.126 678 HG2 GLU 92 HG2 GLU 92 -1.153 6.698 9.308 679 HG3 GLU 92 HG3 GLU 92 -2.897 6.973 9.232 680 H LYS 93 H LYS 93 -5.028 6.867 11.215 681 HA LYS 93 HA LYS 93 -6.972 6.299 9.048 682 HB2 LYS 93 HB2 LYS 93 -6.945 8.509 11.161 683 HB3 LYS 93 HB3 LYS 93 -8.225 8.244 9.978 684 HG2 LYS 93 HG2 LYS 93 -7.429 6.249 12.130 685 HG3 LYS 93 HG3 LYS 93 -8.756 7.409 12.270 686 HD2 LYS 93 HD2 LYS 93 -9.870 6.350 10.315 687 HD3 LYS 93 HD3 LYS 93 -8.550 5.180 10.196 688 HE2 LYS 93 HE2 LYS 93 -9.148 4.191 12.320 689 HE3 LYS 93 HE3 LYS 93 -10.292 5.491 12.666 690 HZ1 LYS 93 HZ1 LYS 93 -11.733 4.733 11.001 691 HZ2 LYS 93 HZ2 LYS 93 -11.264 3.357 11.870 692 HZ3 LYS 93 HZ3 LYS 93 -10.585 3.682 10.358 693 H THR 94 H THR 94 -5.835 6.738 7.190 694 HA THR 94 HA THR 94 -4.818 9.476 6.736 695 HB THR 94 HB THR 94 -2.807 8.200 7.284 696 HG1 THR 94 HG1 THR 94 -2.585 8.275 4.491 697 HG21 THR 94 HG21 THR 94 -3.574 5.905 6.799 698 HG22 THR 94 HG22 THR 94 -2.058 6.250 5.963 699 HG23 THR 94 HG23 THR 94 -3.579 6.263 5.070 700 H THR 95 H THR 95 -4.703 10.094 4.471 701 HA THR 95 HA THR 95 -6.681 8.771 2.792 702 HB THR 95 HB THR 95 -4.978 11.218 2.119 703 HG1 THR 95 HG1 THR 95 -7.417 10.919 3.539 704 HG21 THR 95 HG21 THR 95 -6.796 11.707 0.485 705 HG22 THR 95 HG22 THR 95 -7.604 10.203 0.939 706 HG23 THR 95 HG23 THR 95 -6.031 10.152 0.139 707 H VAL 96 H VAL 96 -6.113 7.207 1.378 708 HA VAL 96 HA VAL 96 -3.299 6.869 0.550 709 HB VAL 96 HB VAL 96 -3.915 4.459 0.064 710 HG11 VAL 96 HG11 VAL 96 -4.219 5.329 2.967 711 HG12 VAL 96 HG12 VAL 96 -2.697 5.043 2.117 712 HG13 VAL 96 HG13 VAL 96 -3.803 3.701 2.416 713 HG21 VAL 96 HG21 VAL 96 -5.951 3.494 1.097 714 HG22 VAL 96 HG22 VAL 96 -6.376 4.705 -0.108 715 HG23 VAL 96 HG23 VAL 96 -6.468 5.103 1.609 716 H TYR 97 H TYR 97 -2.869 6.821 -1.610 717 HA TYR 97 HA TYR 97 -5.088 7.500 -3.437 718 HB2 TYR 97 HB2 TYR 97 -2.129 8.210 -3.631 719 HB3 TYR 97 HB3 TYR 97 -3.374 8.695 -4.780 720 HD1 TYR 97 HD2 TYR 97 -5.042 10.430 -4.169 721 HD2 TYR 97 HD1 TYR 97 -1.963 9.307 -1.428 722 HE1 TYR 97 HE2 TYR 97 -5.507 12.425 -2.824 723 HE2 TYR 97 HE1 TYR 97 -2.451 11.293 -0.077 724 HH TYR 97 HH TYR 97 -3.433 13.474 -0.291 725 H MET 98 H MET 98 -5.487 6.270 -5.129 726 HA MET 98 HA MET 98 -3.706 4.119 -6.019 727 HB2 MET 98 HB2 MET 98 -6.164 3.744 -5.857 728 HB3 MET 98 HB3 MET 98 -6.450 5.065 -6.984 729 HG2 MET 98 HG2 MET 98 -5.328 3.799 -8.756 730 HG3 MET 98 HG3 MET 98 -5.008 2.485 -7.622 731 HE1 MET 98 HE1 MET 98 -7.834 4.531 -9.495 732 HE2 MET 98 HE2 MET 98 -8.374 4.649 -7.818 733 HE3 MET 98 HE3 MET 98 -9.287 3.676 -8.968 734 H VAL 99 H VAL 99 -2.061 4.725 -7.432 735 HA VAL 99 HA VAL 99 -2.472 7.143 -9.129 736 HB VAL 99 HB VAL 99 -0.110 7.815 -8.756 737 HG11 VAL 99 HG11 VAL 99 -1.738 7.613 -6.191 738 HG12 VAL 99 HG12 VAL 99 -1.873 8.874 -7.420 739 HG13 VAL 99 HG13 VAL 99 -0.392 8.726 -6.472 740 HG21 VAL 99 HG21 VAL 99 -0.013 5.626 -6.627 741 HG22 VAL 99 HG22 VAL 99 1.230 6.854 -6.901 742 HG23 VAL 99 HG23 VAL 99 0.897 5.643 -8.142 743 H ASP 100 H ASP 100 -1.529 7.255 -11.115 744 HA ASP 100 HA ASP 100 -0.420 4.790 -12.323 745 HB2 ASP 100 HB2 ASP 100 -2.643 5.651 -13.160 746 HB3 ASP 100 HB3 ASP 100 -1.874 7.166 -13.599 747 H TYR 101 H TYR 101 1.787 4.959 -12.774 748 HA TYR 101 HA TYR 101 2.938 7.600 -13.411 749 HB2 TYR 101 HB2 TYR 101 4.760 7.349 -11.771 750 HB3 TYR 101 HB3 TYR 101 3.195 7.407 -10.985 751 HD1 TYR 101 HD2 TYR 101 6.121 5.268 -11.734 752 HD2 TYR 101 HD1 TYR 101 2.327 5.443 -9.758 753 HE1 TYR 101 HE2 TYR 101 6.685 3.242 -10.474 754 HE2 TYR 101 HE1 TYR 101 2.901 3.413 -8.492 755 HH TYR 101 HH TYR 101 4.396 1.463 -8.717 756 H THR 102 H THR 102 5.225 7.500 -14.058 757 HA THR 102 HA THR 102 5.789 5.175 -15.798 758 HB THR 102 HB THR 102 7.058 7.957 -15.842 759 HG1 THR 102 HG1 THR 102 5.553 8.517 -17.240 760 HG21 THR 102 HG21 THR 102 7.919 7.312 -18.070 761 HG22 THR 102 HG22 THR 102 7.237 5.696 -17.876 762 HG23 THR 102 HG23 THR 102 8.546 6.233 -16.819 763 H SER 103 H SER 103 6.998 3.702 -14.700 764 HA SER 103 HA SER 103 8.726 4.097 -12.544 765 HB2 SER 103 HB2 SER 103 8.837 1.875 -14.631 766 HB3 SER 103 HB3 SER 103 9.679 1.848 -13.078 767 HG SER 103 HG SER 103 6.994 1.497 -13.662 768 H THR 104 H THR 104 10.386 5.488 -12.579 769 HA THR 104 HA THR 104 11.846 6.379 -14.815 770 HB THR 104 HB THR 104 13.429 7.375 -13.102 771 HG1 THR 104 HG1 THR 104 12.004 6.900 -10.905 772 HG21 THR 104 HG21 THR 104 11.754 8.878 -12.065 773 HG22 THR 104 HG22 THR 104 10.462 7.772 -12.537 774 HG23 THR 104 HG23 THR 104 11.396 8.617 -13.775 775 H THR 105 H THR 105 12.385 3.557 -12.820 776 HA THR 105 HA THR 105 15.143 3.107 -13.286 777 HB THR 105 HB THR 105 13.897 1.937 -11.489 778 HG1 THR 105 HG1 THR 105 15.795 0.933 -12.061 779 HG21 THR 105 HG21 THR 105 11.786 1.437 -12.723 780 HG22 THR 105 HG22 THR 105 12.461 -0.000 -11.953 781 HG23 THR 105 HG23 THR 105 12.651 0.241 -13.691 782 H SER 106 H SER 106 12.425 2.605 -15.420 783 HA SER 106 HA SER 106 14.057 1.101 -17.375 784 HB2 SER 106 HB2 SER 106 12.935 -0.626 -16.025 785 HB3 SER 106 HB3 SER 106 11.364 0.114 -16.326 786 HG SER 106 HG SER 106 11.654 -1.590 -17.746 787 H GLY 107 H GLY 107 10.950 2.708 -16.728 788 HA2 GLY 107 HA2 GLY 107 10.201 4.493 -18.247 789 HA3 GLY 107 HA3 GLY 107 10.698 3.478 -19.593 790 H GLU 108 H GLU 108 9.440 1.249 -17.631 791 HA GLU 108 HA GLU 108 6.976 0.928 -19.016 792 HB2 GLU 108 HB2 GLU 108 8.240 -0.996 -18.183 793 HB3 GLU 108 HB3 GLU 108 8.081 -0.440 -16.523 794 HG2 GLU 108 HG2 GLU 108 6.582 -2.304 -16.917 795 HG3 GLU 108 HG3 GLU 108 5.643 -0.845 -16.623 796 H LYS 109 H LYS 109 4.868 1.334 -18.411 797 HA LYS 109 HA LYS 109 4.378 3.303 -16.312 798 HB2 LYS 109 HB2 LYS 109 2.353 2.032 -18.212 799 HB3 LYS 109 HB3 LYS 109 2.152 3.517 -17.284 800 HG2 LYS 109 HG2 LYS 109 4.081 3.093 -19.593 801 HG3 LYS 109 HG3 LYS 109 2.552 3.977 -19.661 802 HD2 LYS 109 HD2 LYS 109 3.423 5.677 -18.131 803 HD3 LYS 109 HD3 LYS 109 4.917 4.761 -17.907 804 HE2 LYS 109 HE2 LYS 109 3.984 6.006 -20.520 805 HE3 LYS 109 HE3 LYS 109 5.237 6.650 -19.460 806 HZ1 LYS 109 HZ1 LYS 109 6.239 5.465 -21.262 807 HZ2 LYS 109 HZ2 LYS 109 5.326 4.080 -20.945 808 HZ3 LYS 109 HZ3 LYS 109 6.501 4.585 -19.840 809 H VAL 110 H VAL 110 4.032 2.594 -14.248 810 HA VAL 110 HA VAL 110 2.598 0.072 -13.711 811 HB VAL 110 HB VAL 110 3.809 2.071 -11.740 812 HG11 VAL 110 HG11 VAL 110 1.854 0.963 -10.706 813 HG12 VAL 110 HG12 VAL 110 3.347 0.370 -9.978 814 HG13 VAL 110 HG13 VAL 110 2.490 -0.622 -11.160 815 HG21 VAL 110 HG21 VAL 110 4.732 -0.719 -12.543 816 HG22 VAL 110 HG22 VAL 110 5.488 0.300 -11.315 817 HG23 VAL 110 HG23 VAL 110 5.508 0.800 -13.006 818 H LYS 111 H LYS 111 0.467 0.179 -13.907 819 HA LYS 111 HA LYS 111 -0.871 2.797 -13.863 820 HB2 LYS 111 HB2 LYS 111 -1.975 0.167 -14.948 821 HB3 LYS 111 HB3 LYS 111 -2.574 1.800 -15.256 822 HG2 LYS 111 HG2 LYS 111 -0.223 2.226 -16.322 823 HG3 LYS 111 HG3 LYS 111 -0.069 0.469 -16.323 824 HD2 LYS 111 HD2 LYS 111 -0.865 1.101 -18.501 825 HD3 LYS 111 HD3 LYS 111 -2.237 0.376 -17.660 826 HE2 LYS 111 HE2 LYS 111 -3.163 2.589 -17.182 827 HE3 LYS 111 HE3 LYS 111 -1.743 3.374 -17.875 828 HZ1 LYS 111 HZ1 LYS 111 -3.550 3.416 -19.419 829 HZ2 LYS 111 HZ2 LYS 111 -3.742 1.738 -19.332 830 HZ3 LYS 111 HZ3 LYS 111 -2.347 2.391 -20.026 831 H ASN 112 H ASN 112 -2.369 3.331 -12.371 832 HA ASN 112 HA ASN 112 -3.438 3.376 -10.394 833 HB2 ASN 112 HB2 ASN 112 -5.449 1.892 -10.243 834 HB3 ASN 112 HB3 ASN 112 -5.286 2.742 -11.766 835 HD21 ASN 112 HD21 ASN 112 -4.851 1.558 -13.645 836 HD22 ASN 112 HD22 ASN 112 -5.065 -0.149 -13.716 837 H HIS 113 H HIS 113 -1.115 2.557 -9.730 838 HA HIS 113 HA HIS 113 -0.699 0.210 -8.267 839 HB2 HIS 113 HB2 HIS 113 1.165 1.698 -8.781 840 HB3 HIS 113 HB3 HIS 113 0.461 2.993 -7.818 841 HD2 HIS 113 HD2 HIS 113 1.203 3.013 -5.180 842 HE1 HIS 113 HE1 HIS 113 3.043 -0.795 -5.129 843 HE2 HIS 113 HE2 HIS 113 2.428 1.233 -3.743 844 H LYS 114 H LYS 114 -1.085 -0.478 -6.196 845 HA LYS 114 HA LYS 114 -2.529 1.252 -4.266 846 HB2 LYS 114 HB2 LYS 114 -3.141 -1.674 -4.904 847 HB3 LYS 114 HB3 LYS 114 -3.893 -0.745 -3.609 848 HG2 LYS 114 HG2 LYS 114 -4.940 0.745 -5.269 849 HG3 LYS 114 HG3 LYS 114 -4.173 -0.161 -6.581 850 HD2 LYS 114 HD2 LYS 114 -5.416 -2.208 -5.844 851 HD3 LYS 114 HD3 LYS 114 -6.216 -1.249 -4.592 852 HE2 LYS 114 HE2 LYS 114 -6.433 -0.756 -7.584 853 HE3 LYS 114 HE3 LYS 114 -7.641 -1.577 -6.596 854 HZ1 LYS 114 HZ1 LYS 114 -6.768 1.233 -6.220 855 HZ2 LYS 114 HZ2 LYS 114 -7.986 0.437 -5.359 856 HZ3 LYS 114 HZ3 LYS 114 -8.182 0.748 -7.009 857 H TRP 115 H TRP 115 -0.626 -0.139 -1.569 858 HA TRP 115 HA TRP 115 -1.901 2.186 -2.921 859 HB2 TRP 115 HB2 TRP 115 -1.979 1.402 0.034 860 HB3 TRP 115 HB3 TRP 115 -2.699 2.862 -0.638 861 HD1 TRP 115 HD1 TRP 115 -3.433 -0.793 -0.047 862 HE1 TRP 115 HE1 TRP 115 -5.778 -1.342 -0.939 863 HE3 TRP 115 HE3 TRP 115 -4.362 3.530 -2.607 864 HZ2 TRP 115 HZ2 TRP 115 -7.758 -0.124 -2.527 865 HZ3 TRP 115 HZ3 TRP 115 -6.503 3.758 -3.792 866 HH2 TRP 115 HH2 TRP 115 -8.167 1.967 -3.753 867 H VAL 116 H VAL 116 -1.240 4.286 -2.195 868 HA VAL 116 HA VAL 116 1.312 4.528 -0.690 869 HB VAL 116 HB VAL 116 1.963 6.524 -2.087 870 HG11 VAL 116 HG11 VAL 116 1.781 3.929 -3.661 871 HG12 VAL 116 HG12 VAL 116 3.055 4.365 -2.522 872 HG13 VAL 116 HG13 VAL 116 2.866 5.276 -4.022 873 HG21 VAL 116 HG21 VAL 116 0.930 6.878 -4.313 874 HG22 VAL 116 HG22 VAL 116 -0.249 7.097 -3.017 875 HG23 VAL 116 HG23 VAL 116 -0.251 5.610 -3.968 876 H THR 117 H THR 117 1.588 6.775 0.241 877 HA THR 117 HA THR 117 -1.032 8.046 0.921 878 HB THR 117 HB THR 117 0.045 8.801 3.075 879 HG1 THR 117 HG1 THR 117 2.116 6.978 2.341 880 HG21 THR 117 HG21 THR 117 0.009 5.786 2.679 881 HG22 THR 117 HG22 THR 117 -1.382 6.789 3.101 882 HG23 THR 117 HG23 THR 117 -0.042 6.617 4.237 883 H GLU 118 H GLU 118 -0.827 10.400 1.576 884 HA GLU 118 HA GLU 118 0.401 11.928 -0.489 885 HB2 GLU 118 HB2 GLU 118 -1.685 12.602 0.704 886 HB3 GLU 118 HB3 GLU 118 -0.745 12.912 2.157 887 HG2 GLU 118 HG2 GLU 118 0.453 14.724 1.033 888 HG3 GLU 118 HG3 GLU 118 -0.372 14.369 -0.483 889 H ASP 119 H ASP 119 1.471 10.990 2.706 890 HA ASP 119 HA ASP 119 3.670 12.744 3.063 891 HB2 ASP 119 HB2 ASP 119 3.315 9.864 3.998 892 HB3 ASP 119 HB3 ASP 119 4.503 11.001 4.637 893 H GLU 120 H GLU 120 3.250 9.873 1.127 894 HA GLU 120 HA GLU 120 6.096 9.627 0.436 895 HB2 GLU 120 HB2 GLU 120 3.692 7.920 -0.343 896 HB3 GLU 120 HB3 GLU 120 5.386 7.530 -0.659 897 HG2 GLU 120 HG2 GLU 120 5.818 7.408 1.761 898 HG3 GLU 120 HG3 GLU 120 4.135 7.825 2.092 899 H LEU 121 H LEU 121 3.537 11.455 -0.663 900 HA LEU 121 HA LEU 121 4.498 11.509 -3.473 901 HB2 LEU 121 HB2 LEU 121 1.733 12.225 -2.404 902 HB3 LEU 121 HB3 LEU 121 2.243 12.390 -4.079 903 HG LEU 121 HG LEU 121 1.937 9.756 -2.571 904 HD11 LEU 121 HD11 LEU 121 0.185 10.960 -4.742 905 HD12 LEU 121 HD12 LEU 121 -0.228 10.805 -3.032 906 HD13 LEU 121 HD13 LEU 121 -0.010 9.360 -4.015 907 HD21 LEU 121 HD21 LEU 121 3.709 9.592 -4.261 908 HD22 LEU 121 HD22 LEU 121 2.618 10.222 -5.496 909 HD23 LEU 121 HD23 LEU 121 2.296 8.655 -4.748 910 H SER 122 H SER 122 5.571 13.336 -3.924 911 HA SER 122 HA SER 122 5.017 15.868 -2.450 912 HB2 SER 122 HB2 SER 122 7.422 15.122 -4.199 913 HB3 SER 122 HB3 SER 122 7.200 16.672 -3.375 914 HG SER 122 HG SER 122 8.291 15.640 -1.887 915 H ALA 123 H ALA 123 4.513 17.775 -3.698 916 HA ALA 123 HA ALA 123 3.165 17.393 -6.189 917 HB1 ALA 123 HB1 ALA 123 4.091 19.990 -4.901 918 HB2 ALA 123 HB2 ALA 123 2.546 19.185 -4.627 919 HB3 ALA 123 HB3 ALA 123 2.919 19.841 -6.218 920 H LYS 124 H LYS 124 3.746 18.776 -8.205 921 HA LYS 124 HA LYS 124 6.135 17.952 -9.384 922 HB2 LYS 124 HB2 LYS 124 4.182 18.695 -10.682 923 HB3 LYS 124 HB3 LYS 124 4.389 20.344 -10.112 924 HG2 LYS 124 HG2 LYS 124 5.172 20.118 -12.412 925 HG3 LYS 124 HG3 LYS 124 6.520 20.518 -11.343 926 HD2 LYS 124 HD2 LYS 124 7.229 18.142 -11.349 927 HD3 LYS 124 HD3 LYS 124 5.861 17.730 -12.389 928 HE2 LYS 124 HE2 LYS 124 7.892 17.917 -13.725 929 HE3 LYS 124 HE3 LYS 124 6.781 19.217 -14.157 930 HZ1 LYS 124 HZ1 LYS 124 8.077 20.710 -12.735 931 HZ2 LYS 124 HZ2 LYS 124 9.024 20.042 -13.962 932 HZ3 LYS 124 HZ3 LYS 124 9.153 19.454 -12.382 933 H LEU 125 H LEU 125 8.080 18.362 -8.476 934 HA LEU 125 HA LEU 125 8.928 21.139 -7.869 935 HB2 LEU 125 HB2 LEU 125 8.112 20.039 -5.773 936 HB3 LEU 125 HB3 LEU 125 9.277 18.749 -6.008 937 HG LEU 125 HG LEU 125 11.134 20.442 -5.765 938 HD11 LEU 125 HD11 LEU 125 8.913 22.355 -4.991 939 HD12 LEU 125 HD12 LEU 125 9.939 22.465 -6.423 940 HD13 LEU 125 HD13 LEU 125 10.645 22.654 -4.820 941 HD21 LEU 125 HD21 LEU 125 10.970 20.661 -3.325 942 HD22 LEU 125 HD22 LEU 125 10.472 19.056 -3.854 943 HD23 LEU 125 HD23 LEU 125 9.254 20.248 -3.389 944 H GLU 126 H GLU 126 11.029 21.571 -8.361 945 HA GLU 126 HA GLU 126 12.842 19.403 -9.268 946 HB2 GLU 126 HB2 GLU 126 12.364 22.129 -10.565 947 HB3 GLU 126 HB3 GLU 126 13.667 21.031 -11.021 948 HG2 GLU 126 HG2 GLU 126 12.045 19.343 -11.731 949 HG3 GLU 126 HG3 GLU 126 10.712 20.358 -11.191 950 H HIS 127 H HIS 127 12.486 21.355 -6.796 951 HA HIS 127 HA HIS 127 14.956 22.820 -6.613 952 HB2 HIS 127 HB2 HIS 127 12.905 23.531 -5.420 953 HB3 HIS 127 HB3 HIS 127 12.934 22.058 -4.466 954 HD1 HIS 127 HD1 HIS 127 14.725 25.354 -4.866 955 HD2 HIS 127 HD2 HIS 127 14.598 22.160 -2.213 956 HE1 HIS 127 HE1 HIS 127 15.994 26.114 -2.844 957 HE2 HIS 127 HE2 HIS 127 15.731 24.243 -1.185 958 H HIS 128 H HIS 128 16.805 21.626 -6.673 959 HA HIS 128 HA HIS 128 17.307 19.540 -4.620 960 HB2 HIS 128 HB2 HIS 128 18.126 19.358 -7.566 961 HB3 HIS 128 HB3 HIS 128 18.582 18.212 -6.310 962 HD1 HIS 128 HD1 HIS 128 15.989 18.881 -8.795 963 HD2 HIS 128 HD2 HIS 128 16.286 16.703 -5.266 964 HE1 HIS 128 HE1 HIS 128 14.027 17.314 -8.806 965 HE2 HIS 128 HE2 HIS 128 14.303 15.929 -6.726 966 H HIS 129 H HIS 129 19.506 19.405 -3.913 967 HA HIS 129 HA HIS 129 21.287 21.678 -4.671 968 HB2 HIS 129 HB2 HIS 129 20.840 20.276 -2.006 969 HB3 HIS 129 HB3 HIS 129 22.334 21.150 -2.321 970 HD1 HIS 129 HD1 HIS 129 18.621 21.744 -1.925 971 HD2 HIS 129 HD2 HIS 129 22.167 23.891 -2.082 972 HE1 HIS 129 HE1 HIS 129 18.015 24.078 -1.234 973 HE2 HIS 129 HE2 HIS 129 20.210 25.302 -1.164 974 H HIS 130 H HIS 130 23.541 21.324 -4.672 975 HA HIS 130 HA HIS 130 24.446 18.646 -5.491 976 HB2 HIS 130 HB2 HIS 130 25.768 21.393 -5.666 977 HB3 HIS 130 HB3 HIS 130 26.548 19.901 -6.177 978 HD1 HIS 130 HD1 HIS 130 26.323 19.413 -8.591 979 HD2 HIS 130 HD2 HIS 130 23.220 21.830 -7.234 980 HE1 HIS 130 HE1 HIS 130 24.980 19.986 -10.628 981 HE2 HIS 130 HE2 HIS 130 23.006 21.255 -9.755 982 H HIS 131 H HIS 131 26.975 18.385 -4.790 983 HA HIS 131 HA HIS 131 27.037 18.052 -1.933 984 HB2 HIS 131 HB2 HIS 131 28.133 16.407 -3.392 985 HB3 HIS 131 HB3 HIS 131 29.213 17.640 -4.032 986 HD1 HIS 131 HD1 HIS 131 28.441 15.969 -0.695 987 HD2 HIS 131 HD2 HIS 131 31.600 17.806 -2.677 988 HE1 HIS 131 HE1 HIS 131 30.426 15.707 0.818 989 HE2 HIS 131 HE2 HIS 131 32.237 17.055 -0.283 990 H HIS 132 H HIS 132 26.816 20.183 -1.121 991 HA HIS 132 HA HIS 132 29.080 22.029 -1.344 992 HB2 HIS 132 HB2 HIS 132 26.837 23.031 -1.223 993 HB3 HIS 132 HB3 HIS 132 26.502 22.191 0.290 994 HD1 HIS 132 HD1 HIS 132 28.806 24.882 -1.091 995 HD2 HIS 132 HD2 HIS 132 27.222 23.623 2.541 996 HE1 HIS 132 HE1 HIS 132 29.542 26.591 0.591 997 HE2 HIS 132 HE2 HIS 132 28.367 25.936 2.717 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -2.694 15.965 -1.613 2 H2 MET 1 H2 MET 1 -4.183 15.166 -1.539 3 H3 MET 1 H3 MET 1 -4.136 16.848 -1.685 4 HA MET 1 HA MET 1 -3.205 16.713 -3.857 5 HB2 MET 1 HB2 MET 1 -3.363 13.687 -3.484 6 HB3 MET 1 HB3 MET 1 -2.917 14.506 -4.980 7 HG2 MET 1 HG2 MET 1 -1.367 14.524 -2.380 8 HG3 MET 1 HG3 MET 1 -0.926 13.707 -3.886 9 HE1 MET 1 HE1 MET 1 0.930 15.794 -2.203 10 HE2 MET 1 HE2 MET 1 1.640 16.745 -3.508 11 HE3 MET 1 HE3 MET 1 1.519 14.992 -3.660 12 H LYS 2 H LYS 2 -4.619 16.789 -5.638 13 HA LYS 2 HA LYS 2 -7.411 15.886 -5.153 14 HB2 LYS 2 HB2 LYS 2 -8.211 17.694 -6.578 15 HB3 LYS 2 HB3 LYS 2 -7.197 18.366 -5.313 16 HG2 LYS 2 HG2 LYS 2 -6.126 17.840 -8.098 17 HG3 LYS 2 HG3 LYS 2 -6.982 19.329 -7.703 18 HD2 LYS 2 HD2 LYS 2 -4.469 18.362 -6.279 19 HD3 LYS 2 HD3 LYS 2 -4.477 19.523 -7.611 20 HE2 LYS 2 HE2 LYS 2 -5.829 19.915 -4.914 21 HE3 LYS 2 HE3 LYS 2 -4.312 20.655 -5.428 22 HZ1 LYS 2 HZ1 LYS 2 -6.071 22.219 -5.718 23 HZ2 LYS 2 HZ2 LYS 2 -7.004 21.122 -6.603 24 HZ3 LYS 2 HZ3 LYS 2 -5.565 21.730 -7.255 25 H VAL 3 H VAL 3 -8.575 14.917 -6.842 26 HA VAL 3 HA VAL 3 -7.136 13.235 -8.614 27 HB VAL 3 HB VAL 3 -10.127 13.848 -8.566 28 HG11 VAL 3 HG11 VAL 3 -8.666 11.506 -9.856 29 HG12 VAL 3 HG12 VAL 3 -9.486 12.812 -10.713 30 HG13 VAL 3 HG13 VAL 3 -10.421 11.679 -9.736 31 HG21 VAL 3 HG21 VAL 3 -9.322 12.967 -6.405 32 HG22 VAL 3 HG22 VAL 3 -8.573 11.595 -7.223 33 HG23 VAL 3 HG23 VAL 3 -10.329 11.769 -7.222 34 H GLY 4 H GLY 4 -6.573 13.463 -10.666 35 HA2 GLY 4 HA2 GLY 4 -6.679 14.245 -12.920 36 HA3 GLY 4 HA3 GLY 4 -7.495 15.698 -12.364 37 H SER 5 H SER 5 -5.155 15.399 -10.142 38 HA SER 5 HA SER 5 -3.442 17.385 -11.412 39 HB2 SER 5 HB2 SER 5 -4.158 17.689 -9.071 40 HB3 SER 5 HB3 SER 5 -3.318 16.208 -8.610 41 HG SER 5 HG SER 5 -1.660 17.461 -8.333 42 H GLN 6 H GLN 6 -1.198 17.262 -11.615 43 HA GLN 6 HA GLN 6 -0.017 14.579 -11.939 44 HB2 GLN 6 HB2 GLN 6 0.901 17.292 -12.987 45 HB3 GLN 6 HB3 GLN 6 1.675 15.747 -13.337 46 HG2 GLN 6 HG2 GLN 6 -0.392 14.982 -14.485 47 HG3 GLN 6 HG3 GLN 6 -1.145 16.545 -14.155 48 HE21 GLN 6 HE21 GLN 6 -1.434 16.882 -16.401 49 HE22 GLN 6 HE22 GLN 6 -0.114 17.308 -17.428 50 H VAL 7 H VAL 7 1.289 13.868 -10.376 51 HA VAL 7 HA VAL 7 2.790 15.743 -8.627 52 HB VAL 7 HB VAL 7 2.416 14.237 -6.697 53 HG11 VAL 7 HG11 VAL 7 0.029 14.747 -6.274 54 HG12 VAL 7 HG12 VAL 7 -0.201 15.115 -7.985 55 HG13 VAL 7 HG13 VAL 7 0.863 16.124 -7.002 56 HG21 VAL 7 HG21 VAL 7 2.110 12.080 -7.874 57 HG22 VAL 7 HG22 VAL 7 0.562 12.630 -8.516 58 HG23 VAL 7 HG23 VAL 7 0.760 12.385 -6.778 59 H ILE 8 H ILE 8 4.778 14.983 -7.815 60 HA ILE 8 HA ILE 8 6.078 12.737 -9.217 61 HB ILE 8 HB ILE 8 7.241 15.001 -7.528 62 HG12 ILE 8 HG12 ILE 8 6.375 15.803 -9.697 63 HG13 ILE 8 HG13 ILE 8 8.129 15.894 -9.668 64 HG21 ILE 8 HG21 ILE 8 9.479 14.266 -8.299 65 HG22 ILE 8 HG22 ILE 8 8.749 12.855 -9.066 66 HG23 ILE 8 HG23 ILE 8 8.683 13.039 -7.312 67 HD11 ILE 8 HD11 ILE 8 6.492 13.774 -11.065 68 HD12 ILE 8 HD12 ILE 8 8.256 13.868 -11.043 69 HD13 ILE 8 HD13 ILE 8 7.315 15.139 -11.820 70 H ILE 9 H ILE 9 6.729 10.880 -8.118 71 HA ILE 9 HA ILE 9 5.770 10.502 -5.365 72 HB ILE 9 HB ILE 9 7.171 8.437 -7.120 73 HG12 ILE 9 HG12 ILE 9 4.165 8.914 -6.843 74 HG13 ILE 9 HG13 ILE 9 5.124 9.294 -8.270 75 HG21 ILE 9 HG21 ILE 9 7.138 7.862 -4.716 76 HG22 ILE 9 HG22 ILE 9 6.106 6.768 -5.634 77 HG23 ILE 9 HG23 ILE 9 5.383 8.065 -4.679 78 HD11 ILE 9 HD11 ILE 9 4.610 6.538 -7.149 79 HD12 ILE 9 HD12 ILE 9 5.609 6.899 -8.560 80 HD13 ILE 9 HD13 ILE 9 3.881 7.250 -8.588 81 H ASN 10 H ASN 10 7.069 10.698 -3.591 82 HA ASN 10 HA ASN 10 9.988 11.017 -3.953 83 HB2 ASN 10 HB2 ASN 10 9.932 12.181 -1.742 84 HB3 ASN 10 HB3 ASN 10 8.903 12.938 -2.949 85 HD21 ASN 10 HD21 ASN 10 8.961 11.175 0.051 86 HD22 ASN 10 HD22 ASN 10 7.299 11.405 0.447 87 H THR 11 H THR 11 7.677 9.277 -1.851 88 HA THR 11 HA THR 11 9.880 7.618 -0.742 89 HB THR 11 HB THR 11 7.137 8.250 0.458 90 HG1 THR 11 HG1 THR 11 8.411 9.283 2.063 91 HG21 THR 11 HG21 THR 11 7.745 5.927 1.040 92 HG22 THR 11 HG22 THR 11 7.889 6.974 2.457 93 HG23 THR 11 HG23 THR 11 9.337 6.469 1.584 94 H SER 12 H SER 12 9.638 5.332 -0.783 95 HA SER 12 HA SER 12 7.421 4.072 -2.173 96 HB2 SER 12 HB2 SER 12 10.115 4.192 -3.610 97 HB3 SER 12 HB3 SER 12 8.622 3.463 -4.208 98 HG SER 12 HG SER 12 7.762 5.708 -4.014 99 H HIS 13 H HIS 13 7.655 1.765 -2.398 100 HA HIS 13 HA HIS 13 9.828 0.437 -0.912 101 HB2 HIS 13 HB2 HIS 13 7.348 -0.724 -2.271 102 HB3 HIS 13 HB3 HIS 13 8.530 -1.660 -1.357 103 HD2 HIS 13 HD2 HIS 13 6.586 1.635 -0.236 104 HE1 HIS 13 HE1 HIS 13 5.919 -1.498 2.523 105 HE2 HIS 13 HE2 HIS 13 5.164 0.786 1.741 106 H MET 14 H MET 14 8.441 0.726 -4.160 107 HA MET 14 HA MET 14 10.479 -0.883 -5.472 108 HB2 MET 14 HB2 MET 14 8.239 0.836 -6.641 109 HB3 MET 14 HB3 MET 14 9.266 -0.257 -7.567 110 HG2 MET 14 HG2 MET 14 7.136 -1.304 -7.191 111 HG3 MET 14 HG3 MET 14 8.351 -2.164 -6.246 112 HE1 MET 14 HE1 MET 14 5.109 -2.348 -5.828 113 HE2 MET 14 HE2 MET 14 5.030 -2.362 -4.066 114 HE3 MET 14 HE3 MET 14 6.263 -3.308 -4.899 115 H LYS 15 H LYS 15 12.120 -0.114 -6.811 116 HA LYS 15 HA LYS 15 13.264 2.434 -6.139 117 HB2 LYS 15 HB2 LYS 15 14.128 0.316 -8.145 118 HB3 LYS 15 HB3 LYS 15 15.038 1.788 -7.857 119 HG2 LYS 15 HG2 LYS 15 16.131 0.069 -6.662 120 HG3 LYS 15 HG3 LYS 15 15.316 1.071 -5.461 121 HD2 LYS 15 HD2 LYS 15 13.600 -0.596 -5.125 122 HD3 LYS 15 HD3 LYS 15 14.150 -1.529 -6.521 123 HE2 LYS 15 HE2 LYS 15 16.258 -2.038 -5.375 124 HE3 LYS 15 HE3 LYS 15 15.755 -1.076 -3.981 125 HZ1 LYS 15 HZ1 LYS 15 15.395 -3.439 -3.625 126 HZ2 LYS 15 HZ2 LYS 15 14.392 -3.514 -4.981 127 HZ3 LYS 15 HZ3 LYS 15 13.923 -2.608 -3.633 128 H GLY 16 H GLY 16 11.287 1.292 -8.781 129 HA2 GLY 16 HA2 GLY 16 12.023 3.275 -10.740 130 HA3 GLY 16 HA3 GLY 16 10.685 2.147 -10.833 131 H MET 17 H MET 17 10.151 3.631 -7.956 132 HA MET 17 HA MET 17 8.145 5.418 -9.120 133 HB2 MET 17 HB2 MET 17 8.684 4.679 -6.235 134 HB3 MET 17 HB3 MET 17 7.346 5.676 -6.780 135 HG2 MET 17 HG2 MET 17 6.423 3.751 -7.992 136 HG3 MET 17 HG3 MET 17 7.771 2.755 -7.422 137 HE1 MET 17 HE1 MET 17 4.632 2.096 -6.947 138 HE2 MET 17 HE2 MET 17 4.621 1.582 -5.261 139 HE3 MET 17 HE3 MET 17 5.894 1.016 -6.346 140 H LYS 18 H LYS 18 11.275 5.721 -7.489 141 HA LYS 18 HA LYS 18 10.968 8.287 -6.353 142 HB2 LYS 18 HB2 LYS 18 13.421 8.376 -6.192 143 HB3 LYS 18 HB3 LYS 18 12.828 6.786 -5.727 144 HG2 LYS 18 HG2 LYS 18 13.529 5.849 -7.872 145 HG3 LYS 18 HG3 LYS 18 14.013 7.444 -8.447 146 HD2 LYS 18 HD2 LYS 18 15.750 7.532 -6.652 147 HD3 LYS 18 HD3 LYS 18 15.292 5.896 -6.159 148 HE2 LYS 18 HE2 LYS 18 16.384 6.672 -8.892 149 HE3 LYS 18 HE3 LYS 18 17.302 5.888 -7.605 150 HZ1 LYS 18 HZ1 LYS 18 14.919 4.732 -8.958 151 HZ2 LYS 18 HZ2 LYS 18 15.845 3.981 -7.757 152 HZ3 LYS 18 HZ3 LYS 18 16.528 4.312 -9.265 153 H GLY 19 H GLY 19 10.628 10.200 -7.333 154 HA2 GLY 19 HA2 GLY 19 10.914 12.013 -8.752 155 HA3 GLY 19 HA3 GLY 19 12.175 11.136 -9.598 156 H ALA 20 H ALA 20 9.448 9.185 -9.486 157 HA ALA 20 HA ALA 20 9.007 9.366 -12.311 158 HB1 ALA 20 HB1 ALA 20 7.453 7.806 -10.217 159 HB2 ALA 20 HB2 ALA 20 8.864 7.230 -11.107 160 HB3 ALA 20 HB3 ALA 20 7.363 7.573 -11.968 161 H GLU 21 H GLU 21 7.346 10.232 -13.453 162 HA GLU 21 HA GLU 21 5.697 12.288 -12.258 163 HB2 GLU 21 HB2 GLU 21 6.774 12.628 -14.449 164 HB3 GLU 21 HB3 GLU 21 5.921 11.239 -15.109 165 HG2 GLU 21 HG2 GLU 21 3.765 12.463 -14.752 166 HG3 GLU 21 HG3 GLU 21 4.694 13.876 -14.246 167 H ALA 22 H ALA 22 4.157 11.347 -10.975 168 HA ALA 22 HA ALA 22 2.337 9.271 -11.961 169 HB1 ALA 22 HB1 ALA 22 3.263 9.030 -9.695 170 HB2 ALA 22 HB2 ALA 22 1.509 9.206 -9.637 171 HB3 ALA 22 HB3 ALA 22 2.548 10.573 -9.223 172 H THR 23 H THR 23 0.033 9.543 -11.884 173 HA THR 23 HA THR 23 -1.014 12.324 -11.731 174 HB THR 23 HB THR 23 -2.072 10.144 -13.610 175 HG1 THR 23 HG1 THR 23 -0.900 11.011 -15.168 176 HG21 THR 23 HG21 THR 23 -3.418 11.969 -14.603 177 HG22 THR 23 HG22 THR 23 -2.788 13.101 -13.408 178 HG23 THR 23 HG23 THR 23 -3.814 11.761 -12.891 179 H VAL 24 H VAL 24 -2.547 12.531 -10.195 180 HA VAL 24 HA VAL 24 -3.396 10.302 -8.567 181 HB VAL 24 HB VAL 24 -4.393 13.190 -8.459 182 HG11 VAL 24 HG11 VAL 24 -5.037 12.682 -6.120 183 HG12 VAL 24 HG12 VAL 24 -4.524 11.007 -6.333 184 HG13 VAL 24 HG13 VAL 24 -5.890 11.634 -7.258 185 HG21 VAL 24 HG21 VAL 24 -2.094 11.926 -6.912 186 HG22 VAL 24 HG22 VAL 24 -2.726 13.557 -6.664 187 HG23 VAL 24 HG23 VAL 24 -1.945 13.136 -8.190 188 H THR 25 H THR 25 -4.801 8.924 -9.543 189 HA THR 25 HA THR 25 -7.106 9.929 -11.092 190 HB THR 25 HB THR 25 -7.359 7.619 -11.933 191 HG1 THR 25 HG1 THR 25 -4.975 6.971 -10.505 192 HG21 THR 25 HG21 THR 25 -5.860 9.129 -13.169 193 HG22 THR 25 HG22 THR 25 -5.275 7.465 -13.245 194 HG23 THR 25 HG23 THR 25 -4.505 8.622 -12.158 195 H GLY 26 H GLY 26 -6.520 9.017 -7.911 196 HA2 GLY 26 HA2 GLY 26 -9.343 8.881 -7.315 197 HA3 GLY 26 HA3 GLY 26 -8.510 7.350 -7.058 198 H ALA 27 H ALA 27 -9.796 9.109 -5.097 199 HA ALA 27 HA ALA 27 -7.535 9.426 -3.207 200 HB1 ALA 27 HB1 ALA 27 -9.777 11.450 -3.579 201 HB2 ALA 27 HB2 ALA 27 -8.095 11.670 -4.063 202 HB3 ALA 27 HB3 ALA 27 -8.505 11.529 -2.353 203 H TYR 28 H TYR 28 -7.916 7.942 -1.678 204 HA TYR 28 HA TYR 28 -10.682 7.186 -0.896 205 HB2 TYR 28 HB2 TYR 28 -8.089 5.594 -0.629 206 HB3 TYR 28 HB3 TYR 28 -9.683 5.031 -0.150 207 HD1 TYR 28 HD1 TYR 28 -7.974 6.370 -3.249 208 HD2 TYR 28 HD2 TYR 28 -10.731 3.535 -1.620 209 HE1 TYR 28 HE1 TYR 28 -8.232 5.349 -5.466 210 HE2 TYR 28 HE2 TYR 28 -10.984 2.513 -3.835 211 HH TYR 28 HH TYR 28 -10.692 3.202 -6.240 212 H ASP 29 H ASP 29 -11.309 7.829 1.122 213 HA ASP 29 HA ASP 29 -9.262 8.412 3.181 214 HB2 ASP 29 HB2 ASP 29 -11.060 9.656 4.378 215 HB3 ASP 29 HB3 ASP 29 -10.737 10.304 2.780 216 H THR 30 H THR 30 -8.802 6.273 3.696 217 HA THR 30 HA THR 30 -10.860 4.751 5.210 218 HB THR 30 HB THR 30 -10.803 3.749 2.970 219 HG1 THR 30 HG1 THR 30 -11.084 2.043 4.205 220 HG21 THR 30 HG21 THR 30 -7.817 3.327 3.382 221 HG22 THR 30 HG22 THR 30 -8.545 4.463 2.245 222 HG23 THR 30 HG23 THR 30 -8.766 2.727 2.021 223 H THR 31 H THR 31 -9.804 2.880 6.462 224 HA THR 31 HA THR 31 -7.437 3.838 7.893 225 HB THR 31 HB THR 31 -9.108 1.344 8.456 226 HG1 THR 31 HG1 THR 31 -10.337 3.256 8.693 227 HG21 THR 31 HG21 THR 31 -6.860 1.235 9.483 228 HG22 THR 31 HG22 THR 31 -8.096 1.451 10.719 229 HG23 THR 31 HG23 THR 31 -7.106 2.826 10.222 230 H ALA 32 H ALA 32 -5.434 3.150 7.454 231 HA ALA 32 HA ALA 32 -4.980 0.715 5.820 232 HB1 ALA 32 HB1 ALA 32 -3.327 3.269 5.884 233 HB2 ALA 32 HB2 ALA 32 -4.457 2.808 4.609 234 HB3 ALA 32 HB3 ALA 32 -3.008 1.842 4.889 235 H TYR 33 H TYR 33 -2.901 -0.405 6.297 236 HA TYR 33 HA TYR 33 -2.180 -0.248 9.169 237 HB2 TYR 33 HB2 TYR 33 -3.125 -2.727 7.662 238 HB3 TYR 33 HB3 TYR 33 -2.341 -2.797 9.237 239 HD1 TYR 33 HD1 TYR 33 -3.444 -1.672 11.216 240 HD2 TYR 33 HD2 TYR 33 -5.499 -2.212 7.504 241 HE1 TYR 33 HE1 TYR 33 -5.580 -1.276 12.342 242 HE2 TYR 33 HE2 TYR 33 -7.652 -1.816 8.640 243 HH TYR 33 HH TYR 33 -7.841 -0.475 11.732 244 H VAL 34 H VAL 34 -0.244 -0.969 9.793 245 HA VAL 34 HA VAL 34 1.840 -1.645 7.810 246 HB VAL 34 HB VAL 34 2.092 -0.818 10.752 247 HG11 VAL 34 HG11 VAL 34 4.263 -1.125 8.640 248 HG12 VAL 34 HG12 VAL 34 4.003 -2.188 10.027 249 HG13 VAL 34 HG13 VAL 34 4.502 -0.515 10.282 250 HG21 VAL 34 HG21 VAL 34 1.221 1.043 9.384 251 HG22 VAL 34 HG22 VAL 34 2.573 0.870 8.262 252 HG23 VAL 34 HG23 VAL 34 2.867 1.380 9.927 253 H VAL 35 H VAL 35 2.110 -3.866 7.571 254 HA VAL 35 HA VAL 35 1.578 -5.650 9.903 255 HB VAL 35 HB VAL 35 0.626 -7.349 8.304 256 HG11 VAL 35 HG11 VAL 35 -1.589 -6.265 8.043 257 HG12 VAL 35 HG12 VAL 35 -0.862 -4.693 8.388 258 HG13 VAL 35 HG13 VAL 35 -0.891 -5.943 9.635 259 HG21 VAL 35 HG21 VAL 35 1.651 -6.539 6.201 260 HG22 VAL 35 HG22 VAL 35 0.680 -5.069 6.277 261 HG23 VAL 35 HG23 VAL 35 -0.106 -6.633 6.041 262 H SER 36 H SER 36 2.790 -7.483 10.143 263 HA SER 36 HA SER 36 5.119 -7.934 8.370 264 HB2 SER 36 HB2 SER 36 6.278 -8.857 10.395 265 HB3 SER 36 HB3 SER 36 5.847 -7.157 10.571 266 HG SER 36 HG SER 36 4.335 -7.661 12.017 267 H TYR 37 H TYR 37 5.389 -9.979 7.527 268 HA TYR 37 HA TYR 37 3.953 -12.286 8.473 269 HB2 TYR 37 HB2 TYR 37 2.536 -12.589 6.420 270 HB3 TYR 37 HB3 TYR 37 2.054 -11.219 7.403 271 HD1 TYR 37 HD2 TYR 37 2.509 -8.883 6.620 272 HD2 TYR 37 HD1 TYR 37 3.306 -12.254 4.111 273 HE1 TYR 37 HE2 TYR 37 2.613 -7.404 4.674 274 HE2 TYR 37 HE1 TYR 37 3.411 -10.770 2.157 275 HH TYR 37 HH TYR 37 3.613 -7.379 2.437 276 H THR 38 H THR 38 4.270 -14.160 7.161 277 HA THR 38 HA THR 38 6.657 -14.056 5.399 278 HB THR 38 HB THR 38 5.738 -16.435 7.084 279 HG1 THR 38 HG1 THR 38 6.700 -15.079 8.497 280 HG21 THR 38 HG21 THR 38 8.251 -16.090 5.389 281 HG22 THR 38 HG22 THR 38 6.870 -17.107 4.967 282 HG23 THR 38 HG23 THR 38 7.854 -17.496 6.380 283 HA PRO 39 HA PRO 39 3.436 -15.036 2.255 284 HB2 PRO 39 HB2 PRO 39 5.408 -15.846 0.358 285 HB3 PRO 39 HB3 PRO 39 4.708 -14.234 0.515 286 HG2 PRO 39 HG2 PRO 39 7.278 -15.321 1.635 287 HG3 PRO 39 HG3 PRO 39 6.945 -13.719 0.944 288 HD2 PRO 39 HD2 PRO 39 7.141 -14.012 3.579 289 HD3 PRO 39 HD3 PRO 39 5.868 -12.965 2.911 290 H THR 40 H THR 40 2.472 -16.960 1.489 291 HA THR 40 HA THR 40 2.932 -19.396 2.862 292 HB THR 40 HB THR 40 1.189 -20.390 1.444 293 HG1 THR 40 HG1 THR 40 0.390 -19.152 -0.359 294 HG21 THR 40 HG21 THR 40 -0.659 -18.805 1.782 295 HG22 THR 40 HG22 THR 40 0.482 -17.479 2.005 296 HG23 THR 40 HG23 THR 40 0.409 -18.787 3.189 297 H ASN 41 H ASN 41 4.282 -18.153 -0.072 298 HA ASN 41 HA ASN 41 5.244 -20.505 -1.316 299 HB2 ASN 41 HB2 ASN 41 5.108 -18.260 -2.391 300 HB3 ASN 41 HB3 ASN 41 6.384 -17.677 -1.331 301 HD21 ASN 41 HD21 ASN 41 5.632 -19.800 -4.005 302 HD22 ASN 41 HD22 ASN 41 7.248 -19.941 -4.592 303 H GLY 42 H GLY 42 6.343 -18.776 1.492 304 HA2 GLY 42 HA2 GLY 42 7.728 -19.408 3.204 305 HA3 GLY 42 HA3 GLY 42 7.933 -20.957 2.408 306 H GLY 43 H GLY 43 8.812 -17.843 0.908 307 HA2 GLY 43 HA2 GLY 43 11.652 -18.597 0.895 308 HA3 GLY 43 HA3 GLY 43 10.888 -17.330 -0.055 309 H GLN 44 H GLN 44 11.448 -15.277 0.585 310 HA GLN 44 HA GLN 44 12.609 -14.620 3.090 311 HB2 GLN 44 HB2 GLN 44 11.427 -12.872 0.898 312 HB3 GLN 44 HB3 GLN 44 12.312 -12.241 2.284 313 HG2 GLN 44 HG2 GLN 44 14.316 -13.532 1.551 314 HG3 GLN 44 HG3 GLN 44 13.423 -14.067 0.128 315 HE21 GLN 44 HE21 GLN 44 12.945 -12.545 -1.506 316 HE22 GLN 44 HE22 GLN 44 13.792 -11.045 -1.623 317 H ARG 45 H ARG 45 11.658 -12.533 4.194 318 HA ARG 45 HA ARG 45 8.847 -13.035 5.036 319 HB2 ARG 45 HB2 ARG 45 10.423 -13.691 6.889 320 HB3 ARG 45 HB3 ARG 45 11.113 -12.069 6.862 321 HG2 ARG 45 HG2 ARG 45 8.674 -11.252 7.341 322 HG3 ARG 45 HG3 ARG 45 8.352 -12.931 7.775 323 HD2 ARG 45 HD2 ARG 45 8.842 -11.677 9.787 324 HD3 ARG 45 HD3 ARG 45 10.190 -12.778 9.481 325 HE ARG 45 HE ARG 45 10.750 -10.283 8.295 326 HH11 ARG 45 HH11 ARG 45 10.494 -11.614 11.493 327 HH12 ARG 45 HH12 ARG 45 11.619 -10.476 12.145 328 HH21 ARG 45 HH21 ARG 45 12.147 -8.852 9.177 329 HH22 ARG 45 HH22 ARG 45 12.536 -8.939 10.862 330 H VAL 46 H VAL 46 7.571 -11.253 4.779 331 HA VAL 46 HA VAL 46 8.828 -8.627 4.203 332 HB VAL 46 HB VAL 46 5.971 -9.515 3.573 333 HG11 VAL 46 HG11 VAL 46 7.529 -7.067 2.626 334 HG12 VAL 46 HG12 VAL 46 6.188 -7.059 3.774 335 HG13 VAL 46 HG13 VAL 46 5.906 -7.517 2.094 336 HG21 VAL 46 HG21 VAL 46 8.384 -9.417 1.713 337 HG22 VAL 46 HG22 VAL 46 6.727 -9.772 1.224 338 HG23 VAL 46 HG23 VAL 46 7.584 -10.880 2.295 339 H ASP 47 H ASP 47 9.015 -7.516 6.059 340 HA ASP 47 HA ASP 47 6.804 -7.496 8.038 341 HB2 ASP 47 HB2 ASP 47 8.514 -6.852 9.742 342 HB3 ASP 47 HB3 ASP 47 8.795 -8.448 9.043 343 H HIS 48 H HIS 48 6.309 -5.505 9.105 344 HA HIS 48 HA HIS 48 5.664 -3.333 9.148 345 HB2 HIS 48 HB2 HIS 48 8.534 -2.849 8.222 346 HB3 HIS 48 HB3 HIS 48 7.490 -1.655 8.993 347 HD1 HIS 48 HD1 HIS 48 10.144 -3.827 9.837 348 HD2 HIS 48 HD2 HIS 48 6.546 -2.893 11.673 349 HE1 HIS 48 HE1 HIS 48 10.446 -4.437 12.248 350 HE2 HIS 48 HE2 HIS 48 8.199 -4.035 13.291 351 H HIS 49 H HIS 49 4.997 -4.693 6.814 352 HA HIS 49 HA HIS 49 5.449 -3.258 4.389 353 HB2 HIS 49 HB2 HIS 49 4.964 -5.648 4.327 354 HB3 HIS 49 HB3 HIS 49 3.421 -5.408 5.139 355 HD2 HIS 49 HD2 HIS 49 1.287 -4.880 3.485 356 HE1 HIS 49 HE1 HIS 49 3.519 -4.588 -0.097 357 HE2 HIS 49 HE2 HIS 49 1.216 -4.433 0.933 358 H LYS 50 H LYS 50 4.303 -1.687 3.445 359 HA LYS 50 HA LYS 50 1.641 -0.893 4.418 360 HB2 LYS 50 HB2 LYS 50 2.338 1.524 4.409 361 HB3 LYS 50 HB3 LYS 50 3.099 0.574 5.673 362 HG2 LYS 50 HG2 LYS 50 5.214 0.608 4.589 363 HG3 LYS 50 HG3 LYS 50 4.512 1.133 3.061 364 HD2 LYS 50 HD2 LYS 50 5.717 2.986 4.102 365 HD3 LYS 50 HD3 LYS 50 3.990 3.345 4.047 366 HE2 LYS 50 HE2 LYS 50 3.800 2.726 6.445 367 HE3 LYS 50 HE3 LYS 50 5.533 2.385 6.491 368 HZ1 LYS 50 HZ1 LYS 50 5.006 4.591 7.344 369 HZ2 LYS 50 HZ2 LYS 50 4.318 5.025 5.865 370 HZ3 LYS 50 HZ3 LYS 50 5.974 4.691 5.961 371 H TRP 51 H TRP 51 0.817 0.109 1.065 372 HA TRP 51 HA TRP 51 0.079 -0.303 3.908 373 HB2 TRP 51 HB2 TRP 51 -1.293 1.420 1.793 374 HB3 TRP 51 HB3 TRP 51 -1.875 1.187 3.442 375 HD1 TRP 51 HD1 TRP 51 0.606 3.229 1.434 376 HE1 TRP 51 HE1 TRP 51 1.809 4.873 2.995 377 HE3 TRP 51 HE3 TRP 51 -0.974 1.397 5.940 378 HZ2 TRP 51 HZ2 TRP 51 2.061 5.343 5.755 379 HZ3 TRP 51 HZ3 TRP 51 -0.200 2.498 7.996 380 HH2 TRP 51 HH2 TRP 51 1.291 4.436 7.903 381 H VAL 52 H VAL 52 -1.681 -1.462 4.440 382 HA VAL 52 HA VAL 52 -3.338 -2.768 2.364 383 HB VAL 52 HB VAL 52 -3.627 -4.750 3.919 384 HG11 VAL 52 HG11 VAL 52 -1.499 -5.868 3.329 385 HG12 VAL 52 HG12 VAL 52 -0.779 -4.306 2.930 386 HG13 VAL 52 HG13 VAL 52 -2.126 -4.925 1.972 387 HG21 VAL 52 HG21 VAL 52 -1.951 -5.151 5.707 388 HG22 VAL 52 HG22 VAL 52 -2.910 -3.708 6.039 389 HG23 VAL 52 HG23 VAL 52 -1.264 -3.548 5.425 390 H ILE 53 H ILE 53 -5.562 -2.655 2.722 391 HA ILE 53 HA ILE 53 -6.331 -0.812 4.933 392 HB ILE 53 HB ILE 53 -8.195 -0.034 3.556 393 HG12 ILE 53 HG12 ILE 53 -7.195 -1.902 1.346 394 HG13 ILE 53 HG13 ILE 53 -8.639 -2.184 2.312 395 HG21 ILE 53 HG21 ILE 53 -5.574 0.036 2.005 396 HG22 ILE 53 HG22 ILE 53 -6.036 1.123 3.318 397 HG23 ILE 53 HG23 ILE 53 -6.925 1.153 1.796 398 HD11 ILE 53 HD11 ILE 53 -9.622 -0.115 1.374 399 HD12 ILE 53 HD12 ILE 53 -9.236 -1.326 0.152 400 HD13 ILE 53 HD13 ILE 53 -8.182 0.070 0.365 401 H GLN 54 H GLN 54 -8.730 -0.953 5.531 402 HA GLN 54 HA GLN 54 -9.612 -3.192 6.757 403 HB2 GLN 54 HB2 GLN 54 -11.166 -0.971 5.407 404 HB3 GLN 54 HB3 GLN 54 -12.002 -2.241 6.295 405 HG2 GLN 54 HG2 GLN 54 -9.851 -0.487 7.505 406 HG3 GLN 54 HG3 GLN 54 -11.581 -0.145 7.605 407 HE21 GLN 54 HE21 GLN 54 -9.477 -0.920 9.637 408 HE22 GLN 54 HE22 GLN 54 -10.184 -2.228 10.495 409 H GLU 55 H GLU 55 -10.499 -2.420 3.347 410 HA GLU 55 HA GLU 55 -12.159 -4.717 2.962 411 HB2 GLU 55 HB2 GLU 55 -12.437 -2.562 1.761 412 HB3 GLU 55 HB3 GLU 55 -10.869 -2.776 0.996 413 HG2 GLU 55 HG2 GLU 55 -11.747 -4.762 -0.207 414 HG3 GLU 55 HG3 GLU 55 -13.321 -4.505 0.545 415 H GLU 56 H GLU 56 -8.784 -4.327 2.985 416 HA GLU 56 HA GLU 56 -8.132 -6.384 0.994 417 HB2 GLU 56 HB2 GLU 56 -7.001 -4.175 0.978 418 HB3 GLU 56 HB3 GLU 56 -6.380 -4.461 2.592 419 HG2 GLU 56 HG2 GLU 56 -4.689 -5.827 1.857 420 HG3 GLU 56 HG3 GLU 56 -5.646 -6.494 0.536 421 H ILE 57 H ILE 57 -8.546 -6.058 4.394 422 HA ILE 57 HA ILE 57 -7.060 -8.560 5.027 423 HB ILE 57 HB ILE 57 -7.908 -6.288 6.893 424 HG12 ILE 57 HG12 ILE 57 -5.110 -7.114 5.977 425 HG13 ILE 57 HG13 ILE 57 -5.975 -5.682 5.431 426 HG21 ILE 57 HG21 ILE 57 -8.012 -8.438 8.080 427 HG22 ILE 57 HG22 ILE 57 -6.650 -7.488 8.674 428 HG23 ILE 57 HG23 ILE 57 -6.368 -8.829 7.563 429 HD11 ILE 57 HD11 ILE 57 -5.889 -4.780 7.716 430 HD12 ILE 57 HD12 ILE 57 -4.287 -5.117 7.064 431 HD13 ILE 57 HD13 ILE 57 -5.002 -6.216 8.240 432 H LYS 58 H LYS 58 -8.292 -10.325 5.517 433 HA LYS 58 HA LYS 58 -11.111 -10.428 5.556 434 HB2 LYS 58 HB2 LYS 58 -9.667 -12.378 5.022 435 HB3 LYS 58 HB3 LYS 58 -9.113 -12.439 6.689 436 HG2 LYS 58 HG2 LYS 58 -11.358 -13.039 7.457 437 HG3 LYS 58 HG3 LYS 58 -11.999 -12.866 5.821 438 HD2 LYS 58 HD2 LYS 58 -9.906 -14.916 6.668 439 HD3 LYS 58 HD3 LYS 58 -11.629 -15.250 6.493 440 HE2 LYS 58 HE2 LYS 58 -9.770 -14.362 4.249 441 HE3 LYS 58 HE3 LYS 58 -10.344 -16.007 4.522 442 HZ1 LYS 58 HZ1 LYS 58 -11.654 -14.990 2.829 443 HZ2 LYS 58 HZ2 LYS 58 -12.006 -13.653 3.799 444 HZ3 LYS 58 HZ3 LYS 58 -12.627 -15.176 4.199 445 H ASP 59 H ASP 59 -8.826 -10.797 8.281 446 HA ASP 59 HA ASP 59 -10.728 -11.117 10.319 447 HB2 ASP 59 HB2 ASP 59 -8.359 -11.846 10.435 448 HB3 ASP 59 HB3 ASP 59 -7.855 -10.165 10.547 449 H ALA 60 H ALA 60 -9.749 -8.180 8.756 450 HA ALA 60 HA ALA 60 -9.610 -6.168 10.486 451 HB1 ALA 60 HB1 ALA 60 -9.543 -5.939 8.041 452 HB2 ALA 60 HB2 ALA 60 -10.553 -4.696 8.779 453 HB3 ALA 60 HB3 ALA 60 -11.299 -6.084 7.978 454 H GLY 61 H GLY 61 -12.822 -7.420 9.464 455 HA2 GLY 61 HA2 GLY 61 -14.763 -7.674 10.672 456 HA3 GLY 61 HA3 GLY 61 -13.812 -7.382 12.117 457 H ASP 62 H ASP 62 -13.835 -4.910 9.715 458 HA ASP 62 HA ASP 62 -14.504 -2.774 9.629 459 HB2 ASP 62 HB2 ASP 62 -16.972 -3.753 11.129 460 HB3 ASP 62 HB3 ASP 62 -16.844 -2.204 10.297 461 H LYS 63 H LYS 63 -13.057 -3.858 12.120 462 HA LYS 63 HA LYS 63 -13.473 -1.536 13.948 463 HB2 LYS 63 HB2 LYS 63 -12.566 -2.851 15.761 464 HB3 LYS 63 HB3 LYS 63 -13.790 -3.841 14.974 465 HG2 LYS 63 HG2 LYS 63 -12.039 -5.117 13.813 466 HG3 LYS 63 HG3 LYS 63 -10.797 -4.093 14.528 467 HD2 LYS 63 HD2 LYS 63 -10.776 -6.088 15.810 468 HD3 LYS 63 HD3 LYS 63 -11.613 -4.908 16.816 469 HE2 LYS 63 HE2 LYS 63 -13.056 -6.931 15.074 470 HE3 LYS 63 HE3 LYS 63 -12.615 -7.246 16.748 471 HZ1 LYS 63 HZ1 LYS 63 -14.431 -5.101 15.796 472 HZ2 LYS 63 HZ2 LYS 63 -13.974 -5.339 17.401 473 HZ3 LYS 63 HZ3 LYS 63 -14.883 -6.515 16.599 474 H THR 64 H THR 64 -11.324 -0.871 15.102 475 HA THR 64 HA THR 64 -9.157 -0.645 13.119 476 HB THR 64 HB THR 64 -9.351 0.671 15.873 477 HG1 THR 64 HG1 THR 64 -10.907 1.538 14.527 478 HG21 THR 64 HG21 THR 64 -7.002 0.475 15.096 479 HG22 THR 64 HG22 THR 64 -7.541 2.155 15.045 480 HG23 THR 64 HG23 THR 64 -7.446 1.214 13.555 481 H LEU 65 H LEU 65 -7.682 -2.217 13.074 482 HA LEU 65 HA LEU 65 -7.392 -4.206 15.137 483 HB2 LEU 65 HB2 LEU 65 -5.826 -3.754 12.571 484 HB3 LEU 65 HB3 LEU 65 -5.728 -5.198 13.568 485 HG LEU 65 HG LEU 65 -8.307 -4.276 12.227 486 HD11 LEU 65 HD11 LEU 65 -7.930 -5.987 10.519 487 HD12 LEU 65 HD12 LEU 65 -6.337 -6.334 11.194 488 HD13 LEU 65 HD13 LEU 65 -6.672 -4.753 10.479 489 HD21 LEU 65 HD21 LEU 65 -9.096 -6.564 12.672 490 HD22 LEU 65 HD22 LEU 65 -8.645 -5.755 14.171 491 HD23 LEU 65 HD23 LEU 65 -7.564 -6.958 13.460 492 H GLN 66 H GLN 66 -5.800 -4.386 16.664 493 HA GLN 66 HA GLN 66 -4.070 -2.023 17.077 494 HB2 GLN 66 HB2 GLN 66 -5.063 -4.104 19.074 495 HB3 GLN 66 HB3 GLN 66 -4.105 -2.684 19.479 496 HG2 GLN 66 HG2 GLN 66 -6.938 -2.704 18.391 497 HG3 GLN 66 HG3 GLN 66 -6.451 -2.341 20.045 498 HE21 GLN 66 HE21 GLN 66 -6.621 -1.130 16.787 499 HE22 GLN 66 HE22 GLN 66 -6.237 0.509 17.164 500 HA PRO 67 HA PRO 67 -0.194 -4.262 16.582 501 HB2 PRO 67 HB2 PRO 67 0.637 -3.004 19.199 502 HB3 PRO 67 HB3 PRO 67 1.483 -3.038 17.643 503 HG2 PRO 67 HG2 PRO 67 0.229 -0.823 18.408 504 HG3 PRO 67 HG3 PRO 67 0.120 -1.361 16.717 505 HD2 PRO 67 HD2 PRO 67 -1.919 -1.613 18.927 506 HD3 PRO 67 HD3 PRO 67 -2.151 -1.199 17.212 507 H GLY 68 H GLY 68 -0.097 -6.370 16.878 508 HA2 GLY 68 HA2 GLY 68 0.508 -8.277 18.312 509 HA3 GLY 68 HA3 GLY 68 -0.501 -7.606 19.580 510 H ASP 69 H ASP 69 -2.474 -7.066 17.101 511 HA ASP 69 HA ASP 69 -3.948 -9.536 17.318 512 HB2 ASP 69 HB2 ASP 69 -4.399 -7.004 15.709 513 HB3 ASP 69 HB3 ASP 69 -5.448 -8.409 15.525 514 H GLN 70 H GLN 70 -4.116 -11.200 15.985 515 HA GLN 70 HA GLN 70 -2.225 -11.443 13.729 516 HB2 GLN 70 HB2 GLN 70 -2.325 -13.100 15.745 517 HB3 GLN 70 HB3 GLN 70 -3.827 -13.680 15.045 518 HG2 GLN 70 HG2 GLN 70 -2.160 -15.179 14.322 519 HG3 GLN 70 HG3 GLN 70 -2.507 -14.169 12.919 520 HE21 GLN 70 HE21 GLN 70 -0.920 -12.595 12.291 521 HE22 GLN 70 HE22 GLN 70 0.716 -12.722 12.811 522 H VAL 71 H VAL 71 -3.063 -11.343 11.673 523 HA VAL 71 HA VAL 71 -5.974 -11.654 11.242 524 HB VAL 71 HB VAL 71 -5.975 -9.734 9.740 525 HG11 VAL 71 HG11 VAL 71 -5.556 -7.888 11.334 526 HG12 VAL 71 HG12 VAL 71 -4.642 -8.985 12.371 527 HG13 VAL 71 HG13 VAL 71 -6.368 -9.248 12.114 528 HG21 VAL 71 HG21 VAL 71 -3.001 -9.393 10.316 529 HG22 VAL 71 HG22 VAL 71 -4.000 -8.261 9.399 530 HG23 VAL 71 HG23 VAL 71 -3.714 -9.886 8.778 531 H ILE 72 H ILE 72 -6.552 -11.870 8.868 532 HA ILE 72 HA ILE 72 -4.547 -13.398 7.277 533 HB ILE 72 HB ILE 72 -7.599 -13.652 7.192 534 HG12 ILE 72 HG12 ILE 72 -6.709 -14.638 9.274 535 HG13 ILE 72 HG13 ILE 72 -7.303 -15.900 8.206 536 HG21 ILE 72 HG21 ILE 72 -6.625 -14.114 4.984 537 HG22 ILE 72 HG22 ILE 72 -7.250 -15.600 5.698 538 HG23 ILE 72 HG23 ILE 72 -5.512 -15.289 5.693 539 HD11 ILE 72 HD11 ILE 72 -4.409 -15.174 8.677 540 HD12 ILE 72 HD12 ILE 72 -4.979 -16.419 7.562 541 HD13 ILE 72 HD13 ILE 72 -5.264 -16.587 9.293 542 H LEU 73 H LEU 73 -4.209 -12.771 5.136 543 HA LEU 73 HA LEU 73 -5.430 -10.250 4.190 544 HB2 LEU 73 HB2 LEU 73 -3.072 -11.835 3.079 545 HB3 LEU 73 HB3 LEU 73 -3.603 -10.257 2.510 546 HG LEU 73 HG LEU 73 -2.470 -10.834 5.286 547 HD11 LEU 73 HD11 LEU 73 -1.182 -9.405 2.932 548 HD12 LEU 73 HD12 LEU 73 -0.748 -11.002 3.551 549 HD13 LEU 73 HD13 LEU 73 -0.491 -9.576 4.551 550 HD21 LEU 73 HD21 LEU 73 -2.457 -8.382 5.598 551 HD22 LEU 73 HD22 LEU 73 -4.093 -8.994 5.368 552 HD23 LEU 73 HD23 LEU 73 -3.267 -8.171 4.042 553 H GLU 74 H GLU 74 -7.069 -10.283 2.749 554 HA GLU 74 HA GLU 74 -7.756 -12.680 1.229 555 HB2 GLU 74 HB2 GLU 74 -9.141 -9.971 1.384 556 HB3 GLU 74 HB3 GLU 74 -9.734 -11.331 0.429 557 HG2 GLU 74 HG2 GLU 74 -9.813 -12.683 2.547 558 HG3 GLU 74 HG3 GLU 74 -9.426 -11.214 3.437 559 H ALA 75 H ALA 75 -6.516 -9.430 0.494 560 HA ALA 75 HA ALA 75 -6.362 -9.979 -2.380 561 HB1 ALA 75 HB1 ALA 75 -5.332 -7.604 -0.785 562 HB2 ALA 75 HB2 ALA 75 -6.902 -7.703 -1.588 563 HB3 ALA 75 HB3 ALA 75 -5.422 -7.716 -2.546 564 H SER 76 H SER 76 -4.201 -9.516 -3.488 565 HA SER 76 HA SER 76 -1.827 -10.325 -1.938 566 HB2 SER 76 HB2 SER 76 -2.896 -12.370 -3.032 567 HB3 SER 76 HB3 SER 76 -2.514 -11.663 -4.596 568 HG SER 76 HG SER 76 -0.466 -12.144 -4.300 569 H HIS 77 H HIS 77 -0.262 -8.837 -2.358 570 HA HIS 77 HA HIS 77 -0.022 -7.530 -4.962 571 HB2 HIS 77 HB2 HIS 77 1.572 -7.231 -2.368 572 HB3 HIS 77 HB3 HIS 77 1.854 -6.282 -3.824 573 HD2 HIS 77 HD2 HIS 77 -1.459 -6.871 -1.664 574 HE1 HIS 77 HE1 HIS 77 -0.875 -2.746 -2.407 575 HE2 HIS 77 HE2 HIS 77 -2.296 -4.458 -1.202 576 H MET 78 H MET 78 1.397 -10.177 -3.174 577 HA MET 78 HA MET 78 3.608 -10.508 -5.130 578 HB2 MET 78 HB2 MET 78 3.877 -10.673 -2.093 579 HB3 MET 78 HB3 MET 78 5.154 -11.034 -3.249 580 HG2 MET 78 HG2 MET 78 5.223 -8.708 -3.965 581 HG3 MET 78 HG3 MET 78 3.836 -8.320 -2.936 582 HE1 MET 78 HE1 MET 78 3.879 -8.240 -0.355 583 HE2 MET 78 HE2 MET 78 5.270 -8.677 0.635 584 HE3 MET 78 HE3 MET 78 4.427 -9.916 -0.291 585 H LYS 79 H LYS 79 4.783 -12.732 -4.583 586 HA LYS 79 HA LYS 79 2.896 -14.811 -5.065 587 HB2 LYS 79 HB2 LYS 79 4.891 -16.337 -5.070 588 HB3 LYS 79 HB3 LYS 79 5.048 -14.945 -6.136 589 HG2 LYS 79 HG2 LYS 79 6.493 -13.826 -4.463 590 HG3 LYS 79 HG3 LYS 79 6.346 -15.232 -3.404 591 HD2 LYS 79 HD2 LYS 79 7.445 -16.641 -5.124 592 HD3 LYS 79 HD3 LYS 79 7.588 -15.237 -6.186 593 HE2 LYS 79 HE2 LYS 79 9.042 -14.132 -4.496 594 HE3 LYS 79 HE3 LYS 79 8.923 -15.567 -3.473 595 HZ1 LYS 79 HZ1 LYS 79 9.991 -16.852 -5.209 596 HZ2 LYS 79 HZ2 LYS 79 10.958 -15.538 -4.767 597 HZ3 LYS 79 HZ3 LYS 79 10.077 -15.488 -6.207 598 H GLY 80 H GLY 80 1.549 -15.487 -3.506 599 HA2 GLY 80 HA2 GLY 80 0.990 -16.920 -1.742 600 HA3 GLY 80 HA3 GLY 80 2.626 -16.803 -1.118 601 H MET 81 H MET 81 0.883 -13.851 -1.859 602 HA MET 81 HA MET 81 0.888 -13.086 0.959 603 HB2 MET 81 HB2 MET 81 1.646 -11.526 -0.837 604 HB3 MET 81 HB3 MET 81 0.019 -11.511 -1.499 605 HG2 MET 81 HG2 MET 81 -0.824 -10.404 0.494 606 HG3 MET 81 HG3 MET 81 0.760 -10.535 1.268 607 HE1 MET 81 HE1 MET 81 -0.820 -7.707 0.971 608 HE2 MET 81 HE2 MET 81 0.544 -6.683 0.513 609 HE3 MET 81 HE3 MET 81 0.748 -7.911 1.759 610 H LYS 82 H LYS 82 -1.570 -13.656 -1.594 611 HA LYS 82 HA LYS 82 -3.889 -13.356 0.032 612 HB2 LYS 82 HB2 LYS 82 -3.950 -13.428 -2.457 613 HB3 LYS 82 HB3 LYS 82 -3.519 -15.132 -2.421 614 HG2 LYS 82 HG2 LYS 82 -5.659 -15.611 -1.225 615 HG3 LYS 82 HG3 LYS 82 -6.081 -13.899 -1.346 616 HD2 LYS 82 HD2 LYS 82 -5.948 -14.110 -3.858 617 HD3 LYS 82 HD3 LYS 82 -5.683 -15.845 -3.653 618 HE2 LYS 82 HE2 LYS 82 -8.024 -15.436 -4.174 619 HE3 LYS 82 HE3 LYS 82 -7.899 -16.014 -2.514 620 HZ1 LYS 82 HZ1 LYS 82 -8.134 -13.741 -1.740 621 HZ2 LYS 82 HZ2 LYS 82 -9.440 -14.160 -2.727 622 HZ3 LYS 82 HZ3 LYS 82 -8.210 -13.176 -3.330 623 H GLY 83 H GLY 83 -4.636 -14.633 1.655 624 HA2 GLY 83 HA2 GLY 83 -5.223 -16.584 2.785 625 HA3 GLY 83 HA3 GLY 83 -4.249 -17.534 1.672 626 H ALA 84 H ALA 84 -2.311 -15.011 2.631 627 HA ALA 84 HA ALA 84 -0.817 -16.612 4.541 628 HB1 ALA 84 HB1 ALA 84 -0.262 -13.816 3.481 629 HB2 ALA 84 HB2 ALA 84 0.377 -15.322 2.818 630 HB3 ALA 84 HB3 ALA 84 0.848 -14.805 4.437 631 H THR 85 H THR 85 -0.269 -15.950 6.635 632 HA THR 85 HA THR 85 -2.322 -14.428 8.076 633 HB THR 85 HB THR 85 -0.017 -16.115 9.175 634 HG1 THR 85 HG1 THR 85 -1.875 -17.564 9.646 635 HG21 THR 85 HG21 THR 85 -0.820 -14.441 10.815 636 HG22 THR 85 HG22 THR 85 -1.277 -16.073 11.306 637 HG23 THR 85 HG23 THR 85 -2.477 -15.001 10.580 638 H ALA 86 H ALA 86 -1.946 -12.307 8.529 639 HA ALA 86 HA ALA 86 0.824 -11.237 8.556 640 HB1 ALA 86 HB1 ALA 86 -0.170 -9.049 8.009 641 HB2 ALA 86 HB2 ALA 86 -1.784 -9.766 8.020 642 HB3 ALA 86 HB3 ALA 86 -0.605 -10.265 6.809 643 H GLU 87 H GLU 87 1.422 -9.784 10.191 644 HA GLU 87 HA GLU 87 -0.118 -9.899 12.725 645 HB2 GLU 87 HB2 GLU 87 2.042 -11.127 12.714 646 HB3 GLU 87 HB3 GLU 87 2.884 -9.671 12.211 647 HG2 GLU 87 HG2 GLU 87 3.306 -10.010 14.534 648 HG3 GLU 87 HG3 GLU 87 2.252 -8.607 14.373 649 H ILE 88 H ILE 88 -0.928 -7.952 13.401 650 HA ILE 88 HA ILE 88 -0.395 -5.507 12.005 651 HB ILE 88 HB ILE 88 -1.867 -5.848 14.662 652 HG12 ILE 88 HG12 ILE 88 -2.902 -7.226 12.856 653 HG13 ILE 88 HG13 ILE 88 -3.960 -5.917 13.363 654 HG21 ILE 88 HG21 ILE 88 -1.962 -3.536 12.672 655 HG22 ILE 88 HG22 ILE 88 -1.208 -3.504 14.268 656 HG23 ILE 88 HG23 ILE 88 -2.957 -3.682 14.127 657 HD11 ILE 88 HD11 ILE 88 -3.350 -4.646 11.359 658 HD12 ILE 88 HD12 ILE 88 -4.017 -6.227 10.959 659 HD13 ILE 88 HD13 ILE 88 -2.280 -5.957 10.854 660 H ASP 89 H ASP 89 1.569 -4.566 12.203 661 HA ASP 89 HA ASP 89 3.025 -4.336 14.711 662 HB2 ASP 89 HB2 ASP 89 3.551 -2.925 12.055 663 HB3 ASP 89 HB3 ASP 89 4.672 -3.053 13.409 664 H SER 90 H SER 90 0.928 -2.305 12.702 665 HA SER 90 HA SER 90 0.446 -0.379 14.790 666 HB2 SER 90 HB2 SER 90 2.670 0.424 13.954 667 HB3 SER 90 HB3 SER 90 1.985 0.619 12.342 668 HG SER 90 HG SER 90 1.983 2.356 14.320 669 H ALA 91 H ALA 91 -1.232 1.118 14.283 670 HA ALA 91 HA ALA 91 -2.822 0.568 11.825 671 HB1 ALA 91 HB1 ALA 91 -3.828 1.396 14.586 672 HB2 ALA 91 HB2 ALA 91 -3.940 -0.219 13.883 673 HB3 ALA 91 HB3 ALA 91 -4.831 1.116 13.157 674 H GLU 92 H GLU 92 -3.301 2.315 10.534 675 HA GLU 92 HA GLU 92 -2.782 5.068 11.532 676 HB2 GLU 92 HB2 GLU 92 -1.855 3.785 8.938 677 HB3 GLU 92 HB3 GLU 92 -1.946 5.533 9.117 678 HG2 GLU 92 HG2 GLU 92 -0.282 3.717 10.891 679 HG3 GLU 92 HG3 GLU 92 0.330 4.567 9.474 680 H LYS 93 H LYS 93 -4.426 6.440 11.247 681 HA LYS 93 HA LYS 93 -6.527 5.969 9.234 682 HB2 LYS 93 HB2 LYS 93 -6.223 8.220 11.289 683 HB3 LYS 93 HB3 LYS 93 -7.650 7.899 10.309 684 HG2 LYS 93 HG2 LYS 93 -6.549 5.994 12.408 685 HG3 LYS 93 HG3 LYS 93 -7.842 7.161 12.698 686 HD2 LYS 93 HD2 LYS 93 -9.247 6.034 10.999 687 HD3 LYS 93 HD3 LYS 93 -7.953 4.874 10.683 688 HE2 LYS 93 HE2 LYS 93 -8.159 3.963 12.937 689 HE3 LYS 93 HE3 LYS 93 -9.322 5.216 13.379 690 HZ1 LYS 93 HZ1 LYS 93 -10.884 4.312 11.823 691 HZ2 LYS 93 HZ2 LYS 93 -10.367 3.088 12.862 692 HZ3 LYS 93 HZ3 LYS 93 -9.768 3.169 11.281 693 H THR 94 H THR 94 -5.504 6.391 7.240 694 HA THR 94 HA THR 94 -4.518 9.134 6.744 695 HB THR 94 HB THR 94 -2.471 7.893 7.181 696 HG1 THR 94 HG1 THR 94 -1.440 8.575 5.408 697 HG21 THR 94 HG21 THR 94 -3.330 5.924 5.025 698 HG22 THR 94 HG22 THR 94 -3.224 5.586 6.755 699 HG23 THR 94 HG23 THR 94 -1.762 5.947 5.836 700 H THR 95 H THR 95 -4.530 9.764 4.479 701 HA THR 95 HA THR 95 -6.655 8.464 2.928 702 HB THR 95 HB THR 95 -5.143 11.059 2.345 703 HG1 THR 95 HG1 THR 95 -7.413 11.829 3.015 704 HG21 THR 95 HG21 THR 95 -7.711 9.959 1.118 705 HG22 THR 95 HG22 THR 95 -6.156 10.112 0.294 706 HG23 THR 95 HG23 THR 95 -7.033 11.557 0.801 707 H VAL 96 H VAL 96 -6.207 7.152 1.195 708 HA VAL 96 HA VAL 96 -3.413 6.974 0.227 709 HB VAL 96 HB VAL 96 -3.947 4.588 -0.434 710 HG11 VAL 96 HG11 VAL 96 -4.141 5.165 2.549 711 HG12 VAL 96 HG12 VAL 96 -2.654 5.030 1.606 712 HG13 VAL 96 HG13 VAL 96 -3.686 3.618 1.826 713 HG21 VAL 96 HG21 VAL 96 -5.864 3.418 0.623 714 HG22 VAL 96 HG22 VAL 96 -6.412 4.691 -0.466 715 HG23 VAL 96 HG23 VAL 96 -6.444 4.955 1.279 716 H TYR 97 H TYR 97 -3.136 7.289 -1.883 717 HA TYR 97 HA TYR 97 -5.424 7.943 -3.596 718 HB2 TYR 97 HB2 TYR 97 -2.495 8.785 -3.792 719 HB3 TYR 97 HB3 TYR 97 -3.775 9.304 -4.883 720 HD1 TYR 97 HD2 TYR 97 -5.543 10.892 -4.085 721 HD2 TYR 97 HD1 TYR 97 -2.275 9.789 -1.556 722 HE1 TYR 97 HE2 TYR 97 -6.052 12.777 -2.599 723 HE2 TYR 97 HE1 TYR 97 -2.797 11.676 -0.066 724 HH TYR 97 HH TYR 97 -3.949 13.720 0.007 725 H MET 98 H MET 98 -5.704 7.015 -5.522 726 HA MET 98 HA MET 98 -4.009 4.795 -6.432 727 HB2 MET 98 HB2 MET 98 -6.428 4.414 -6.354 728 HB3 MET 98 HB3 MET 98 -6.731 5.853 -7.315 729 HG2 MET 98 HG2 MET 98 -5.739 4.806 -9.266 730 HG3 MET 98 HG3 MET 98 -5.273 3.398 -8.314 731 HE1 MET 98 HE1 MET 98 -9.712 4.489 -9.106 732 HE2 MET 98 HE2 MET 98 -8.369 5.517 -9.608 733 HE3 MET 98 HE3 MET 98 -8.732 5.313 -7.892 734 H VAL 99 H VAL 99 -2.357 5.295 -7.859 735 HA VAL 99 HA VAL 99 -2.630 7.697 -9.615 736 HB VAL 99 HB VAL 99 -0.227 8.219 -9.275 737 HG11 VAL 99 HG11 VAL 99 -1.775 8.094 -6.653 738 HG12 VAL 99 HG12 VAL 99 -1.873 9.377 -7.860 739 HG13 VAL 99 HG13 VAL 99 -0.374 9.123 -6.968 740 HG21 VAL 99 HG21 VAL 99 -0.234 5.981 -7.196 741 HG22 VAL 99 HG22 VAL 99 1.090 7.120 -7.460 742 HG23 VAL 99 HG23 VAL 99 0.645 5.977 -8.728 743 H ASP 100 H ASP 100 -1.125 7.733 -11.499 744 HA ASP 100 HA ASP 100 0.005 5.110 -12.269 745 HB2 ASP 100 HB2 ASP 100 -0.719 5.318 -14.570 746 HB3 ASP 100 HB3 ASP 100 -2.105 5.373 -13.499 747 H TYR 101 H TYR 101 2.038 5.134 -13.027 748 HA TYR 101 HA TYR 101 3.385 7.672 -13.707 749 HB2 TYR 101 HB2 TYR 101 5.210 7.199 -12.099 750 HB3 TYR 101 HB3 TYR 101 3.672 7.359 -11.265 751 HD1 TYR 101 HD1 TYR 101 2.519 5.279 -10.351 752 HD2 TYR 101 HD2 TYR 101 6.473 5.109 -11.986 753 HE1 TYR 101 HE1 TYR 101 2.883 3.111 -9.253 754 HE2 TYR 101 HE2 TYR 101 6.828 2.938 -10.895 755 HH TYR 101 HH TYR 101 4.295 1.121 -9.512 756 H THR 102 H THR 102 5.748 7.193 -14.339 757 HA THR 102 HA THR 102 6.038 4.612 -15.793 758 HB THR 102 HB THR 102 7.322 7.314 -16.407 759 HG1 THR 102 HG1 THR 102 5.411 7.454 -17.366 760 HG21 THR 102 HG21 THR 102 7.671 4.673 -17.886 761 HG22 THR 102 HG22 THR 102 8.916 5.494 -16.941 762 HG23 THR 102 HG23 THR 102 8.294 6.238 -18.414 763 H SER 103 H SER 103 7.770 3.334 -15.277 764 HA SER 103 HA SER 103 9.168 3.737 -12.827 765 HB2 SER 103 HB2 SER 103 8.594 1.475 -13.571 766 HB3 SER 103 HB3 SER 103 9.605 1.651 -15.005 767 HG SER 103 HG SER 103 10.293 1.037 -12.417 768 H THR 104 H THR 104 10.907 4.959 -12.502 769 HA THR 104 HA THR 104 12.535 6.102 -14.544 770 HB THR 104 HB THR 104 13.880 7.033 -12.639 771 HG1 THR 104 HG1 THR 104 12.550 6.489 -10.514 772 HG21 THR 104 HG21 THR 104 10.864 7.271 -12.265 773 HG22 THR 104 HG22 THR 104 11.835 8.219 -13.396 774 HG23 THR 104 HG23 THR 104 12.076 8.402 -11.659 775 H THR 105 H THR 105 12.879 3.213 -12.562 776 HA THR 105 HA THR 105 15.661 2.748 -13.263 777 HB THR 105 HB THR 105 15.263 0.443 -12.249 778 HG1 THR 105 HG1 THR 105 13.269 -0.147 -11.976 779 HG21 THR 105 HG21 THR 105 15.134 1.210 -9.931 780 HG22 THR 105 HG22 THR 105 14.497 2.771 -10.458 781 HG23 THR 105 HG23 THR 105 16.149 2.305 -10.875 782 H SER 106 H SER 106 12.557 1.162 -14.117 783 HA SER 106 HA SER 106 13.880 -0.533 -16.123 784 HB2 SER 106 HB2 SER 106 12.383 -1.667 -14.594 785 HB3 SER 106 HB3 SER 106 11.072 -0.537 -14.940 786 HG SER 106 HG SER 106 11.544 -2.819 -16.140 787 H GLY 107 H GLY 107 11.178 1.815 -15.983 788 HA2 GLY 107 HA2 GLY 107 10.590 3.194 -17.910 789 HA3 GLY 107 HA3 GLY 107 11.025 1.855 -18.961 790 H GLU 108 H GLU 108 9.631 0.096 -16.806 791 HA GLU 108 HA GLU 108 7.177 -0.455 -17.914 792 HB2 GLU 108 HB2 GLU 108 8.195 -1.981 -16.345 793 HB3 GLU 108 HB3 GLU 108 8.189 -0.782 -15.064 794 HG2 GLU 108 HG2 GLU 108 6.492 -2.323 -14.494 795 HG3 GLU 108 HG3 GLU 108 5.648 -0.905 -15.092 796 H LYS 109 H LYS 109 5.488 0.906 -18.229 797 HA LYS 109 HA LYS 109 4.800 3.035 -16.366 798 HB2 LYS 109 HB2 LYS 109 3.307 2.042 -18.840 799 HB3 LYS 109 HB3 LYS 109 2.880 3.472 -17.898 800 HG2 LYS 109 HG2 LYS 109 5.099 4.471 -18.470 801 HG3 LYS 109 HG3 LYS 109 5.438 3.066 -19.488 802 HD2 LYS 109 HD2 LYS 109 3.373 3.639 -20.837 803 HD3 LYS 109 HD3 LYS 109 3.212 5.112 -19.873 804 HE2 LYS 109 HE2 LYS 109 5.521 4.389 -21.712 805 HE3 LYS 109 HE3 LYS 109 4.306 5.637 -21.983 806 HZ1 LYS 109 HZ1 LYS 109 6.293 6.660 -21.222 807 HZ2 LYS 109 HZ2 LYS 109 6.421 5.616 -19.901 808 HZ3 LYS 109 HZ3 LYS 109 5.171 6.754 -19.957 809 H VAL 110 H VAL 110 3.560 2.754 -14.650 810 HA VAL 110 HA VAL 110 1.912 0.298 -14.329 811 HB VAL 110 HB VAL 110 3.226 2.001 -12.157 812 HG11 VAL 110 HG11 VAL 110 1.125 1.001 -11.353 813 HG12 VAL 110 HG12 VAL 110 2.509 0.228 -10.581 814 HG13 VAL 110 HG13 VAL 110 1.659 -0.597 -11.889 815 HG21 VAL 110 HG21 VAL 110 4.730 0.070 -11.775 816 HG22 VAL 110 HG22 VAL 110 4.916 0.717 -13.407 817 HG23 VAL 110 HG23 VAL 110 4.002 -0.771 -13.146 818 H LYS 111 H LYS 111 -0.247 0.649 -14.187 819 HA LYS 111 HA LYS 111 -1.232 3.386 -13.641 820 HB2 LYS 111 HB2 LYS 111 -2.449 1.285 -15.476 821 HB3 LYS 111 HB3 LYS 111 -3.227 2.808 -15.045 822 HG2 LYS 111 HG2 LYS 111 -1.255 4.014 -16.067 823 HG3 LYS 111 HG3 LYS 111 -0.668 2.449 -16.636 824 HD2 LYS 111 HD2 LYS 111 -1.855 3.554 -18.449 825 HD3 LYS 111 HD3 LYS 111 -2.798 2.157 -17.926 826 HE2 LYS 111 HE2 LYS 111 -4.257 4.100 -18.338 827 HE3 LYS 111 HE3 LYS 111 -4.293 3.657 -16.632 828 HZ1 LYS 111 HZ1 LYS 111 -2.647 5.846 -17.780 829 HZ2 LYS 111 HZ2 LYS 111 -2.807 5.475 -16.139 830 HZ3 LYS 111 HZ3 LYS 111 -4.134 6.061 -17.009 831 H ASN 112 H ASN 112 -3.198 3.631 -12.546 832 HA ASN 112 HA ASN 112 -4.640 3.357 -10.816 833 HB2 ASN 112 HB2 ASN 112 -4.853 0.510 -11.893 834 HB3 ASN 112 HB3 ASN 112 -6.027 1.290 -10.839 835 HD21 ASN 112 HD21 ASN 112 -6.425 0.172 -13.491 836 HD22 ASN 112 HD22 ASN 112 -7.029 1.454 -14.473 837 H HIS 113 H HIS 113 -1.846 2.880 -10.150 838 HA HIS 113 HA HIS 113 -1.342 0.595 -8.611 839 HB2 HIS 113 HB2 HIS 113 0.528 1.884 -9.399 840 HB3 HIS 113 HB3 HIS 113 -0.026 3.334 -8.561 841 HD2 HIS 113 HD2 HIS 113 1.583 3.746 -6.426 842 HE1 HIS 113 HE1 HIS 113 1.968 -0.295 -5.231 843 HE2 HIS 113 HE2 HIS 113 2.318 2.111 -4.550 844 H LYS 114 H LYS 114 -1.403 0.089 -6.477 845 HA LYS 114 HA LYS 114 -2.703 1.819 -4.474 846 HB2 LYS 114 HB2 LYS 114 -3.604 -1.025 -5.171 847 HB3 LYS 114 HB3 LYS 114 -4.258 -0.040 -3.869 848 HG2 LYS 114 HG2 LYS 114 -5.251 1.503 -5.480 849 HG3 LYS 114 HG3 LYS 114 -4.495 0.636 -6.821 850 HD2 LYS 114 HD2 LYS 114 -5.830 -1.392 -6.234 851 HD3 LYS 114 HD3 LYS 114 -6.603 -0.486 -4.928 852 HE2 LYS 114 HE2 LYS 114 -6.789 0.201 -7.885 853 HE3 LYS 114 HE3 LYS 114 -8.032 -0.625 -6.946 854 HZ1 LYS 114 HZ1 LYS 114 -7.050 2.136 -6.468 855 HZ2 LYS 114 HZ2 LYS 114 -8.239 1.347 -5.563 856 HZ3 LYS 114 HZ3 LYS 114 -8.520 1.716 -7.188 857 H TRP 115 H TRP 115 -0.832 -0.006 -1.952 858 HA TRP 115 HA TRP 115 -2.264 2.428 -2.849 859 HB2 TRP 115 HB2 TRP 115 -1.869 1.398 -0.001 860 HB3 TRP 115 HB3 TRP 115 -2.792 2.824 -0.460 861 HD1 TRP 115 HD1 TRP 115 -3.279 -0.749 0.323 862 HE1 TRP 115 HE1 TRP 115 -5.616 -1.540 -0.357 863 HE3 TRP 115 HE3 TRP 115 -4.664 3.243 -2.578 864 HZ2 TRP 115 HZ2 TRP 115 -7.770 -0.607 -1.923 865 HZ3 TRP 115 HZ3 TRP 115 -6.890 3.212 -3.623 866 HH2 TRP 115 HH2 TRP 115 -8.413 1.325 -3.302 867 H VAL 116 H VAL 116 -1.375 4.408 -2.569 868 HA VAL 116 HA VAL 116 1.125 4.788 -1.001 869 HB VAL 116 HB VAL 116 1.856 6.588 -2.630 870 HG11 VAL 116 HG11 VAL 116 2.820 5.082 -4.331 871 HG12 VAL 116 HG12 VAL 116 1.714 3.800 -3.832 872 HG13 VAL 116 HG13 VAL 116 2.943 4.389 -2.711 873 HG21 VAL 116 HG21 VAL 116 0.917 6.651 -4.920 874 HG22 VAL 116 HG22 VAL 116 -0.326 7.024 -3.724 875 HG23 VAL 116 HG23 VAL 116 -0.277 5.428 -4.472 876 H THR 117 H THR 117 1.158 6.735 0.237 877 HA THR 117 HA THR 117 -1.494 8.031 0.521 878 HB THR 117 HB THR 117 -0.787 8.756 2.765 879 HG1 THR 117 HG1 THR 117 1.633 7.305 2.409 880 HG21 THR 117 HG21 THR 117 -0.590 6.563 3.872 881 HG22 THR 117 HG22 THR 117 -0.227 5.811 2.319 882 HG23 THR 117 HG23 THR 117 -1.814 6.536 2.602 883 H GLU 118 H GLU 118 -1.263 10.302 1.555 884 HA GLU 118 HA GLU 118 -0.205 12.265 -0.101 885 HB2 GLU 118 HB2 GLU 118 -1.964 12.545 1.671 886 HB3 GLU 118 HB3 GLU 118 -0.724 12.403 2.906 887 HG2 GLU 118 HG2 GLU 118 -1.278 14.716 2.672 888 HG3 GLU 118 HG3 GLU 118 0.336 14.484 2.004 889 H ASP 119 H ASP 119 1.368 10.444 2.470 890 HA ASP 119 HA ASP 119 3.697 12.097 2.768 891 HB2 ASP 119 HB2 ASP 119 2.819 10.611 4.558 892 HB3 ASP 119 HB3 ASP 119 3.232 9.201 3.587 893 H GLU 120 H GLU 120 2.836 9.432 0.598 894 HA GLU 120 HA GLU 120 5.602 9.041 -0.309 895 HB2 GLU 120 HB2 GLU 120 2.986 7.666 -1.046 896 HB3 GLU 120 HB3 GLU 120 4.451 7.416 -1.982 897 HG2 GLU 120 HG2 GLU 120 4.404 5.579 -0.550 898 HG3 GLU 120 HG3 GLU 120 5.557 6.668 0.213 899 H LEU 121 H LEU 121 3.208 11.309 -1.004 900 HA LEU 121 HA LEU 121 3.992 11.575 -3.856 901 HB2 LEU 121 HB2 LEU 121 1.255 12.121 -2.628 902 HB3 LEU 121 HB3 LEU 121 1.698 12.467 -4.295 903 HG LEU 121 HG LEU 121 1.517 9.687 -3.047 904 HD11 LEU 121 HD11 LEU 121 -0.320 11.043 -5.050 905 HD12 LEU 121 HD12 LEU 121 -0.687 10.709 -3.356 906 HD13 LEU 121 HD13 LEU 121 -0.452 9.375 -4.482 907 HD21 LEU 121 HD21 LEU 121 2.115 10.461 -5.928 908 HD22 LEU 121 HD22 LEU 121 1.853 8.819 -5.333 909 HD23 LEU 121 HD23 LEU 121 3.250 9.740 -4.783 910 H SER 122 H SER 122 4.930 13.450 -4.276 911 HA SER 122 HA SER 122 4.238 15.919 -2.760 912 HB2 SER 122 HB2 SER 122 6.891 15.187 -4.094 913 HB3 SER 122 HB3 SER 122 6.517 16.774 -3.412 914 HG SER 122 HG SER 122 6.399 14.365 -1.921 915 H ALA 123 H ALA 123 3.441 17.618 -3.975 916 HA ALA 123 HA ALA 123 2.538 17.172 -6.623 917 HB1 ALA 123 HB1 ALA 123 2.728 19.808 -5.126 918 HB2 ALA 123 HB2 ALA 123 1.383 18.670 -5.049 919 HB3 ALA 123 HB3 ALA 123 1.748 19.490 -6.566 920 H LYS 124 H LYS 124 3.089 18.341 -8.606 921 HA LYS 124 HA LYS 124 5.856 18.431 -9.194 922 HB2 LYS 124 HB2 LYS 124 4.107 17.984 -10.898 923 HB3 LYS 124 HB3 LYS 124 3.533 19.640 -10.765 924 HG2 LYS 124 HG2 LYS 124 4.893 19.309 -12.783 925 HG3 LYS 124 HG3 LYS 124 5.648 20.479 -11.694 926 HD2 LYS 124 HD2 LYS 124 7.276 18.828 -10.951 927 HD3 LYS 124 HD3 LYS 124 6.435 17.537 -11.815 928 HE2 LYS 124 HE2 LYS 124 8.452 18.244 -13.025 929 HE3 LYS 124 HE3 LYS 124 7.000 18.581 -13.963 930 HZ1 LYS 124 HZ1 LYS 124 8.561 20.395 -14.058 931 HZ2 LYS 124 HZ2 LYS 124 8.536 20.566 -12.378 932 HZ3 LYS 124 HZ3 LYS 124 7.146 20.890 -13.283 933 H LEU 125 H LEU 125 7.000 19.805 -7.904 934 HA LEU 125 HA LEU 125 6.494 22.724 -8.030 935 HB2 LEU 125 HB2 LEU 125 5.690 21.805 -5.872 936 HB3 LEU 125 HB3 LEU 125 7.260 21.078 -5.586 937 HG LEU 125 HG LEU 125 8.286 23.345 -5.430 938 HD11 LEU 125 HD11 LEU 125 5.453 24.388 -5.738 939 HD12 LEU 125 HD12 LEU 125 6.784 24.605 -6.880 940 HD13 LEU 125 HD13 LEU 125 6.861 25.352 -5.288 941 HD21 LEU 125 HD21 LEU 125 7.345 23.964 -3.246 942 HD22 LEU 125 HD22 LEU 125 7.544 22.218 -3.379 943 HD23 LEU 125 HD23 LEU 125 5.939 22.938 -3.546 944 H GLU 126 H GLU 126 8.288 23.951 -8.393 945 HA GLU 126 HA GLU 126 10.667 22.585 -9.297 946 HB2 GLU 126 HB2 GLU 126 10.150 25.585 -9.236 947 HB3 GLU 126 HB3 GLU 126 11.376 24.740 -10.179 948 HG2 GLU 126 HG2 GLU 126 8.377 24.738 -10.580 949 HG3 GLU 126 HG3 GLU 126 9.617 25.350 -11.671 950 H HIS 127 H HIS 127 11.879 21.830 -7.632 951 HA HIS 127 HA HIS 127 13.419 23.861 -6.110 952 HB2 HIS 127 HB2 HIS 127 12.378 21.197 -5.039 953 HB3 HIS 127 HB3 HIS 127 13.711 22.059 -4.284 954 HD1 HIS 127 HD1 HIS 127 10.984 21.404 -2.879 955 HD2 HIS 127 HD2 HIS 127 12.027 25.076 -4.532 956 HE1 HIS 127 HE1 HIS 127 9.629 23.112 -1.634 957 HE2 HIS 127 HE2 HIS 127 10.399 25.323 -2.536 958 H HIS 128 H HIS 128 15.630 23.214 -5.664 959 HA HIS 128 HA HIS 128 16.949 21.592 -7.615 960 HB2 HIS 128 HB2 HIS 128 18.995 21.967 -6.166 961 HB3 HIS 128 HB3 HIS 128 18.176 23.435 -6.678 962 HD1 HIS 128 HD1 HIS 128 17.199 24.939 -4.882 963 HD2 HIS 128 HD2 HIS 128 18.797 21.418 -3.360 964 HE1 HIS 128 HE1 HIS 128 17.266 25.255 -2.401 965 HE2 HIS 128 HE2 HIS 128 18.455 23.220 -1.532 966 H HIS 129 H HIS 129 18.470 19.743 -6.965 967 HA HIS 129 HA HIS 129 16.891 17.538 -6.244 968 HB2 HIS 129 HB2 HIS 129 19.935 17.694 -6.305 969 HB3 HIS 129 HB3 HIS 129 18.991 16.207 -6.312 970 HD1 HIS 129 HD1 HIS 129 20.740 18.307 -8.571 971 HD2 HIS 129 HD2 HIS 129 17.123 16.258 -8.740 972 HE1 HIS 129 HE1 HIS 129 20.215 18.074 -11.017 973 HE2 HIS 129 HE2 HIS 129 18.057 16.779 -11.094 974 H HIS 130 H HIS 130 16.067 17.130 -4.299 975 HA HIS 130 HA HIS 130 17.078 18.048 -1.798 976 HB2 HIS 130 HB2 HIS 130 14.680 17.699 -2.121 977 HB3 HIS 130 HB3 HIS 130 14.924 15.998 -2.493 978 HD1 HIS 130 HD1 HIS 130 15.208 14.380 -0.521 979 HD2 HIS 130 HD2 HIS 130 14.793 18.344 0.654 980 HE1 HIS 130 HE1 HIS 130 14.847 14.302 1.956 981 HE2 HIS 130 HE2 HIS 130 14.355 16.680 2.591 982 H HIS 131 H HIS 131 18.538 17.148 -0.438 983 HA HIS 131 HA HIS 131 18.901 14.211 -0.407 984 HB2 HIS 131 HB2 HIS 131 21.326 14.530 0.165 985 HB3 HIS 131 HB3 HIS 131 20.918 15.060 -1.456 986 HD1 HIS 131 HD1 HIS 131 22.313 17.004 -2.018 987 HD2 HIS 131 HD2 HIS 131 21.136 17.140 1.967 988 HE1 HIS 131 HE1 HIS 131 23.304 19.119 -1.098 989 HE2 HIS 131 HE2 HIS 131 22.463 19.249 1.265 990 H HIS 132 H HIS 132 19.587 13.346 1.648 991 HA HIS 132 HA HIS 132 18.285 14.403 3.933 992 HB2 HIS 132 HB2 HIS 132 19.594 12.519 5.165 993 HB3 HIS 132 HB3 HIS 132 18.465 12.053 3.901 994 HD1 HIS 132 HD1 HIS 132 22.189 12.395 4.501 995 HD2 HIS 132 HD2 HIS 132 19.565 10.620 1.813 996 HE1 HIS 132 HE1 HIS 132 23.614 10.941 3.036 997 HE2 HIS 132 HE2 HIS 132 22.019 9.978 1.343 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -4.066 16.124 -1.184 2 H2 MET 1 H2 MET 1 -5.211 14.899 -1.369 3 H3 MET 1 H3 MET 1 -5.684 16.520 -1.474 4 HA MET 1 HA MET 1 -4.406 16.833 -3.464 5 HB2 MET 1 HB2 MET 1 -2.647 15.141 -2.817 6 HB3 MET 1 HB3 MET 1 -3.772 13.854 -3.230 7 HG2 MET 1 HG2 MET 1 -2.196 14.171 -5.032 8 HG3 MET 1 HG3 MET 1 -3.801 14.663 -5.570 9 HE1 MET 1 HE1 MET 1 -1.318 16.649 -3.227 10 HE2 MET 1 HE2 MET 1 -0.492 17.682 -4.392 11 HE3 MET 1 HE3 MET 1 -0.223 15.938 -4.413 12 H LYS 2 H LYS 2 -5.677 16.803 -5.323 13 HA LYS 2 HA LYS 2 -8.208 15.315 -5.179 14 HB2 LYS 2 HB2 LYS 2 -7.366 17.565 -7.058 15 HB3 LYS 2 HB3 LYS 2 -8.967 16.836 -7.005 16 HG2 LYS 2 HG2 LYS 2 -7.646 18.502 -4.831 17 HG3 LYS 2 HG3 LYS 2 -9.017 18.964 -5.844 18 HD2 LYS 2 HD2 LYS 2 -9.006 16.742 -3.753 19 HD3 LYS 2 HD3 LYS 2 -9.741 18.333 -3.559 20 HE2 LYS 2 HE2 LYS 2 -11.386 17.827 -5.295 21 HE3 LYS 2 HE3 LYS 2 -10.588 16.295 -5.653 22 HZ1 LYS 2 HZ1 LYS 2 -11.923 17.004 -3.104 23 HZ2 LYS 2 HZ2 LYS 2 -11.129 15.544 -3.417 24 HZ3 LYS 2 HZ3 LYS 2 -12.521 15.955 -4.286 25 H VAL 3 H VAL 3 -9.090 14.166 -6.943 26 HA VAL 3 HA VAL 3 -7.365 12.545 -8.515 27 HB VAL 3 HB VAL 3 -10.378 13.009 -8.756 28 HG11 VAL 3 HG11 VAL 3 -8.705 10.758 -9.929 29 HG12 VAL 3 HG12 VAL 3 -9.505 12.038 -10.839 30 HG13 VAL 3 HG13 VAL 3 -10.467 10.849 -9.961 31 HG21 VAL 3 HG21 VAL 3 -8.856 10.804 -7.302 32 HG22 VAL 3 HG22 VAL 3 -10.611 10.910 -7.458 33 HG23 VAL 3 HG23 VAL 3 -9.735 12.132 -6.538 34 H GLY 4 H GLY 4 -6.777 12.698 -10.646 35 HA2 GLY 4 HA2 GLY 4 -6.643 13.567 -12.836 36 HA3 GLY 4 HA3 GLY 4 -7.572 14.971 -12.335 37 H SER 5 H SER 5 -5.460 14.833 -9.894 38 HA SER 5 HA SER 5 -3.776 16.945 -10.934 39 HB2 SER 5 HB2 SER 5 -4.532 17.054 -8.603 40 HB3 SER 5 HB3 SER 5 -3.746 15.517 -8.236 41 HG SER 5 HG SER 5 -2.086 16.703 -7.746 42 H GLN 6 H GLN 6 -1.561 16.889 -11.381 43 HA GLN 6 HA GLN 6 -0.314 14.223 -11.699 44 HB2 GLN 6 HB2 GLN 6 0.447 16.897 -12.956 45 HB3 GLN 6 HB3 GLN 6 1.284 15.370 -13.237 46 HG2 GLN 6 HG2 GLN 6 -0.883 14.443 -14.142 47 HG3 GLN 6 HG3 GLN 6 -1.565 16.066 -14.022 48 HE21 GLN 6 HE21 GLN 6 -1.191 14.423 -16.406 49 HE22 GLN 6 HE22 GLN 6 -0.185 15.323 -17.476 50 H VAL 7 H VAL 7 1.263 13.619 -10.385 51 HA VAL 7 HA VAL 7 2.558 15.566 -8.558 52 HB VAL 7 HB VAL 7 2.370 13.913 -6.703 53 HG11 VAL 7 HG11 VAL 7 -0.037 14.191 -6.217 54 HG12 VAL 7 HG12 VAL 7 -0.338 14.622 -7.902 55 HG13 VAL 7 HG13 VAL 7 0.651 15.673 -6.885 56 HG21 VAL 7 HG21 VAL 7 2.234 11.817 -8.009 57 HG22 VAL 7 HG22 VAL 7 0.639 12.275 -8.610 58 HG23 VAL 7 HG23 VAL 7 0.870 11.938 -6.893 59 H ILE 8 H ILE 8 4.639 15.021 -7.823 60 HA ILE 8 HA ILE 8 6.000 12.697 -9.041 61 HB ILE 8 HB ILE 8 7.162 15.109 -7.567 62 HG12 ILE 8 HG12 ILE 8 6.280 15.647 -9.848 63 HG13 ILE 8 HG13 ILE 8 8.023 15.853 -9.737 64 HG21 ILE 8 HG21 ILE 8 8.586 13.151 -7.172 65 HG22 ILE 8 HG22 ILE 8 9.403 14.280 -8.250 66 HG23 ILE 8 HG23 ILE 8 8.665 12.815 -8.903 67 HD11 ILE 8 HD11 ILE 8 7.398 14.864 -11.844 68 HD12 ILE 8 HD12 ILE 8 6.588 13.533 -11.020 69 HD13 ILE 8 HD13 ILE 8 8.341 13.714 -10.897 70 H ILE 9 H ILE 9 6.743 11.064 -7.760 71 HA ILE 9 HA ILE 9 5.617 10.865 -5.045 72 HB ILE 9 HB ILE 9 6.947 8.740 -6.795 73 HG12 ILE 9 HG12 ILE 9 3.994 9.363 -6.302 74 HG13 ILE 9 HG13 ILE 9 4.859 9.538 -7.821 75 HG21 ILE 9 HG21 ILE 9 5.996 7.086 -5.217 76 HG22 ILE 9 HG22 ILE 9 5.393 8.397 -4.199 77 HG23 ILE 9 HG23 ILE 9 7.130 8.168 -4.410 78 HD11 ILE 9 HD11 ILE 9 4.232 6.939 -6.423 79 HD12 ILE 9 HD12 ILE 9 5.093 7.107 -7.957 80 HD13 ILE 9 HD13 ILE 9 3.407 7.606 -7.831 81 H ASN 10 H ASN 10 6.900 11.277 -3.281 82 HA ASN 10 HA ASN 10 9.797 11.637 -3.676 83 HB2 ASN 10 HB2 ASN 10 9.761 12.799 -1.471 84 HB3 ASN 10 HB3 ASN 10 8.647 13.515 -2.626 85 HD21 ASN 10 HD21 ASN 10 6.472 13.551 -2.137 86 HD22 ASN 10 HD22 ASN 10 5.819 12.975 -0.646 87 H THR 11 H THR 11 7.574 9.512 -2.025 88 HA THR 11 HA THR 11 9.792 7.827 -0.991 89 HB THR 11 HB THR 11 7.258 8.535 0.580 90 HG1 THR 11 HG1 THR 11 8.417 10.159 1.222 91 HG21 THR 11 HG21 THR 11 9.629 6.826 1.432 92 HG22 THR 11 HG22 THR 11 8.012 6.220 1.056 93 HG23 THR 11 HG23 THR 11 8.260 7.277 2.449 94 H SER 12 H SER 12 9.390 5.603 -1.237 95 HA SER 12 HA SER 12 6.780 4.468 -1.461 96 HB2 SER 12 HB2 SER 12 6.755 3.763 -3.784 97 HB3 SER 12 HB3 SER 12 6.987 5.508 -3.758 98 HG SER 12 HG SER 12 8.749 5.194 -4.811 99 H HIS 13 H HIS 13 6.903 2.126 -2.279 100 HA HIS 13 HA HIS 13 9.204 0.777 -1.023 101 HB2 HIS 13 HB2 HIS 13 6.408 -0.201 -1.745 102 HB3 HIS 13 HB3 HIS 13 7.663 -1.235 -1.062 103 HD2 HIS 13 HD2 HIS 13 6.012 2.211 0.119 104 HE1 HIS 13 HE1 HIS 13 6.699 -0.344 3.419 105 HE2 HIS 13 HE2 HIS 13 5.633 1.824 2.649 106 H MET 14 H MET 14 8.469 1.728 -4.085 107 HA MET 14 HA MET 14 9.896 -0.555 -5.352 108 HB2 MET 14 HB2 MET 14 8.029 1.452 -6.701 109 HB3 MET 14 HB3 MET 14 8.894 0.156 -7.514 110 HG2 MET 14 HG2 MET 14 6.697 -0.189 -5.462 111 HG3 MET 14 HG3 MET 14 6.539 -0.394 -7.208 112 HE1 MET 14 HE1 MET 14 6.259 -4.109 -6.086 113 HE2 MET 14 HE2 MET 14 5.564 -2.822 -7.071 114 HE3 MET 14 HE3 MET 14 5.541 -2.696 -5.311 115 H LYS 15 H LYS 15 11.891 -0.113 -6.042 116 HA LYS 15 HA LYS 15 13.329 2.204 -5.621 117 HB2 LYS 15 HB2 LYS 15 15.129 1.239 -6.984 118 HB3 LYS 15 HB3 LYS 15 14.403 0.011 -5.965 119 HG2 LYS 15 HG2 LYS 15 13.830 0.343 -8.934 120 HG3 LYS 15 HG3 LYS 15 15.018 -0.775 -8.264 121 HD2 LYS 15 HD2 LYS 15 13.216 -1.998 -7.096 122 HD3 LYS 15 HD3 LYS 15 12.023 -0.856 -7.715 123 HE2 LYS 15 HE2 LYS 15 11.875 -2.799 -9.089 124 HE3 LYS 15 HE3 LYS 15 12.701 -1.582 -10.058 125 HZ1 LYS 15 HZ1 LYS 15 13.718 -3.765 -10.241 126 HZ2 LYS 15 HZ2 LYS 15 14.012 -3.797 -8.578 127 HZ3 LYS 15 HZ3 LYS 15 14.795 -2.657 -9.553 128 H GLY 16 H GLY 16 11.674 1.266 -8.631 129 HA2 GLY 16 HA2 GLY 16 12.592 3.568 -10.150 130 HA3 GLY 16 HA3 GLY 16 11.487 2.320 -10.695 131 H MET 17 H MET 17 10.138 3.193 -7.881 132 HA MET 17 HA MET 17 8.254 5.060 -9.195 133 HB2 MET 17 HB2 MET 17 7.294 2.973 -8.247 134 HB3 MET 17 HB3 MET 17 7.887 3.415 -6.651 135 HG2 MET 17 HG2 MET 17 6.330 5.199 -6.464 136 HG3 MET 17 HG3 MET 17 5.963 5.165 -8.188 137 HE1 MET 17 HE1 MET 17 4.567 1.834 -5.283 138 HE2 MET 17 HE2 MET 17 5.380 3.286 -4.707 139 HE3 MET 17 HE3 MET 17 6.261 2.111 -5.685 140 H LYS 18 H LYS 18 10.490 4.759 -6.508 141 HA LYS 18 HA LYS 18 9.888 7.233 -5.212 142 HB2 LYS 18 HB2 LYS 18 11.110 5.266 -4.193 143 HB3 LYS 18 HB3 LYS 18 12.509 5.667 -5.174 144 HG2 LYS 18 HG2 LYS 18 11.335 7.690 -3.246 145 HG3 LYS 18 HG3 LYS 18 12.417 6.422 -2.672 146 HD2 LYS 18 HD2 LYS 18 14.181 7.234 -4.218 147 HD3 LYS 18 HD3 LYS 18 13.102 8.513 -4.780 148 HE2 LYS 18 HE2 LYS 18 13.080 9.509 -2.534 149 HE3 LYS 18 HE3 LYS 18 14.083 8.193 -1.919 150 HZ1 LYS 18 HZ1 LYS 18 15.364 10.192 -2.393 151 HZ2 LYS 18 HZ2 LYS 18 14.895 10.130 -4.013 152 HZ3 LYS 18 HZ3 LYS 18 15.862 8.902 -3.370 153 H GLY 19 H GLY 19 10.263 9.185 -5.949 154 HA2 GLY 19 HA2 GLY 19 11.267 11.018 -6.963 155 HA3 GLY 19 HA3 GLY 19 12.534 9.978 -7.587 156 H ALA 20 H ALA 20 9.495 8.680 -8.401 157 HA ALA 20 HA ALA 20 9.967 9.294 -11.219 158 HB1 ALA 20 HB1 ALA 20 7.929 7.442 -9.943 159 HB2 ALA 20 HB2 ALA 20 9.531 6.980 -10.516 160 HB3 ALA 20 HB3 ALA 20 8.314 7.538 -11.664 161 H GLU 21 H GLU 21 8.272 9.858 -12.696 162 HA GLU 21 HA GLU 21 6.434 11.925 -11.876 163 HB2 GLU 21 HB2 GLU 21 7.612 11.979 -14.075 164 HB3 GLU 21 HB3 GLU 21 6.785 10.511 -14.565 165 HG2 GLU 21 HG2 GLU 21 5.732 12.375 -15.652 166 HG3 GLU 21 HG3 GLU 21 4.615 11.727 -14.456 167 H ALA 22 H ALA 22 4.165 11.795 -11.699 168 HA ALA 22 HA ALA 22 2.743 9.281 -12.190 169 HB1 ALA 22 HB1 ALA 22 3.763 8.913 -9.971 170 HB2 ALA 22 HB2 ALA 22 2.003 8.992 -9.867 171 HB3 ALA 22 HB3 ALA 22 2.983 10.373 -9.363 172 H THR 23 H THR 23 0.403 9.435 -11.734 173 HA THR 23 HA THR 23 -0.724 12.147 -11.339 174 HB THR 23 HB THR 23 -1.680 10.167 -13.472 175 HG1 THR 23 HG1 THR 23 0.255 11.305 -14.029 176 HG21 THR 23 HG21 THR 23 -3.224 11.968 -14.181 177 HG22 THR 23 HG22 THR 23 -2.691 12.968 -12.828 178 HG23 THR 23 HG23 THR 23 -3.561 11.463 -12.522 179 H VAL 24 H VAL 24 -2.335 12.170 -9.880 180 HA VAL 24 HA VAL 24 -3.152 9.762 -8.467 181 HB VAL 24 HB VAL 24 -3.946 12.686 -8.053 182 HG11 VAL 24 HG11 VAL 24 -4.892 11.977 -5.864 183 HG12 VAL 24 HG12 VAL 24 -4.613 10.287 -6.293 184 HG13 VAL 24 HG13 VAL 24 -5.760 11.256 -7.221 185 HG21 VAL 24 HG21 VAL 24 -2.028 10.908 -6.491 186 HG22 VAL 24 HG22 VAL 24 -2.471 12.561 -6.066 187 HG23 VAL 24 HG23 VAL 24 -1.582 12.247 -7.554 188 H THR 25 H THR 25 -4.590 8.525 -9.563 189 HA THR 25 HA THR 25 -6.869 9.745 -11.011 190 HB THR 25 HB THR 25 -7.113 7.496 -12.080 191 HG1 THR 25 HG1 THR 25 -4.708 6.464 -11.450 192 HG21 THR 25 HG21 THR 25 -4.315 8.677 -12.285 193 HG22 THR 25 HG22 THR 25 -5.730 9.205 -13.199 194 HG23 THR 25 HG23 THR 25 -5.063 7.594 -13.465 195 H GLY 26 H GLY 26 -6.274 8.446 -7.967 196 HA2 GLY 26 HA2 GLY 26 -9.141 8.088 -7.481 197 HA3 GLY 26 HA3 GLY 26 -8.127 6.678 -7.187 198 H ALA 27 H ALA 27 -9.734 8.522 -5.365 199 HA ALA 27 HA ALA 27 -7.584 9.151 -3.411 200 HB1 ALA 27 HB1 ALA 27 -10.123 10.766 -3.869 201 HB2 ALA 27 HB2 ALA 27 -8.505 11.227 -4.400 202 HB3 ALA 27 HB3 ALA 27 -8.863 11.112 -2.678 203 H TYR 28 H TYR 28 -7.731 7.694 -1.818 204 HA TYR 28 HA TYR 28 -10.372 6.907 -0.698 205 HB2 TYR 28 HB2 TYR 28 -7.806 5.320 -1.084 206 HB3 TYR 28 HB3 TYR 28 -8.971 4.843 0.143 207 HD1 TYR 28 HD1 TYR 28 -9.097 5.819 -3.523 208 HD2 TYR 28 HD2 TYR 28 -10.360 3.085 -0.485 209 HE1 TYR 28 HE1 TYR 28 -10.357 4.528 -5.201 210 HE2 TYR 28 HE2 TYR 28 -11.616 1.805 -2.159 211 HH TYR 28 HH TYR 28 -12.671 2.193 -4.358 212 H ASP 29 H ASP 29 -10.659 8.062 1.152 213 HA ASP 29 HA ASP 29 -8.384 8.543 2.986 214 HB2 ASP 29 HB2 ASP 29 -9.943 10.108 4.187 215 HB3 ASP 29 HB3 ASP 29 -9.638 10.567 2.518 216 H THR 30 H THR 30 -8.232 6.308 3.567 217 HA THR 30 HA THR 30 -10.385 5.265 5.324 218 HB THR 30 HB THR 30 -10.717 4.287 3.081 219 HG1 THR 30 HG1 THR 30 -10.198 1.960 3.956 220 HG21 THR 30 HG21 THR 30 -9.087 2.697 2.126 221 HG22 THR 30 HG22 THR 30 -7.931 3.100 3.395 222 HG23 THR 30 HG23 THR 30 -8.407 4.327 2.216 223 H THR 31 H THR 31 -9.655 3.195 6.463 224 HA THR 31 HA THR 31 -7.391 3.879 8.066 225 HB THR 31 HB THR 31 -8.889 1.220 8.137 226 HG1 THR 31 HG1 THR 31 -10.563 2.302 8.799 227 HG21 THR 31 HG21 THR 31 -6.835 1.307 9.521 228 HG22 THR 31 HG22 THR 31 -8.278 1.242 10.531 229 HG23 THR 31 HG23 THR 31 -7.429 2.772 10.315 230 H ALA 32 H ALA 32 -5.314 3.390 7.664 231 HA ALA 32 HA ALA 32 -4.589 1.179 5.827 232 HB1 ALA 32 HB1 ALA 32 -2.980 3.632 6.650 233 HB2 ALA 32 HB2 ALA 32 -3.825 3.416 5.118 234 HB3 ALA 32 HB3 ALA 32 -2.455 2.380 5.517 235 H TYR 33 H TYR 33 -2.983 -0.308 6.501 236 HA TYR 33 HA TYR 33 -2.268 -0.304 9.373 237 HB2 TYR 33 HB2 TYR 33 -3.392 -2.640 7.769 238 HB3 TYR 33 HB3 TYR 33 -2.575 -2.848 9.317 239 HD1 TYR 33 HD1 TYR 33 -3.519 -1.203 11.251 240 HD2 TYR 33 HD2 TYR 33 -5.764 -2.528 7.862 241 HE1 TYR 33 HE1 TYR 33 -5.606 -0.772 12.464 242 HE2 TYR 33 HE2 TYR 33 -7.851 -2.098 9.088 243 HH TYR 33 HH TYR 33 -7.981 -0.298 11.950 244 H VAL 34 H VAL 34 -0.379 -1.150 9.945 245 HA VAL 34 HA VAL 34 1.652 -1.784 7.891 246 HB VAL 34 HB VAL 34 2.077 -1.238 10.882 247 HG11 VAL 34 HG11 VAL 34 4.012 -1.058 8.543 248 HG12 VAL 34 HG12 VAL 34 3.966 -2.341 9.755 249 HG13 VAL 34 HG13 VAL 34 4.391 -0.698 10.231 250 HG21 VAL 34 HG21 VAL 34 0.947 0.726 9.936 251 HG22 VAL 34 HG22 VAL 34 2.134 0.816 8.635 252 HG23 VAL 34 HG23 VAL 34 2.630 1.111 10.303 253 H VAL 35 H VAL 35 1.750 -4.016 7.531 254 HA VAL 35 HA VAL 35 1.174 -5.861 9.804 255 HB VAL 35 HB VAL 35 0.508 -7.568 8.095 256 HG11 VAL 35 HG11 VAL 35 -1.225 -6.206 9.186 257 HG12 VAL 35 HG12 VAL 35 -1.685 -6.578 7.524 258 HG13 VAL 35 HG13 VAL 35 -1.075 -4.972 7.932 259 HG21 VAL 35 HG21 VAL 35 0.082 -6.881 5.748 260 HG22 VAL 35 HG22 VAL 35 1.792 -6.739 6.157 261 HG23 VAL 35 HG23 VAL 35 0.783 -5.294 6.083 262 H SER 36 H SER 36 2.236 -8.050 9.646 263 HA SER 36 HA SER 36 4.844 -8.101 8.252 264 HB2 SER 36 HB2 SER 36 5.986 -8.908 10.322 265 HB3 SER 36 HB3 SER 36 5.357 -7.272 10.518 266 HG SER 36 HG SER 36 4.963 -8.998 12.225 267 H TYR 37 H TYR 37 5.287 -10.092 7.349 268 HA TYR 37 HA TYR 37 4.056 -12.548 8.182 269 HB2 TYR 37 HB2 TYR 37 2.561 -12.910 6.241 270 HB3 TYR 37 HB3 TYR 37 2.058 -11.512 7.179 271 HD1 TYR 37 HD2 TYR 37 2.591 -9.173 6.293 272 HD2 TYR 37 HD1 TYR 37 3.114 -12.676 3.909 273 HE1 TYR 37 HE2 TYR 37 2.610 -7.789 4.276 274 HE2 TYR 37 HE1 TYR 37 3.136 -11.274 1.869 275 HH TYR 37 HH TYR 37 3.451 -7.875 2.000 276 H THR 38 H THR 38 5.647 -14.002 7.683 277 HA THR 38 HA THR 38 7.144 -14.115 5.286 278 HB THR 38 HB THR 38 6.274 -16.478 7.018 279 HG1 THR 38 HG1 THR 38 7.578 -15.471 8.366 280 HG21 THR 38 HG21 THR 38 8.579 -16.281 5.021 281 HG22 THR 38 HG22 THR 38 7.105 -17.221 4.783 282 HG23 THR 38 HG23 THR 38 8.233 -17.662 6.066 283 HA PRO 39 HA PRO 39 3.636 -14.977 2.446 284 HB2 PRO 39 HB2 PRO 39 5.886 -15.482 0.508 285 HB3 PRO 39 HB3 PRO 39 4.483 -14.418 0.352 286 HG2 PRO 39 HG2 PRO 39 6.892 -13.381 0.826 287 HG3 PRO 39 HG3 PRO 39 5.454 -12.719 1.636 288 HD2 PRO 39 HD2 PRO 39 7.542 -14.609 2.730 289 HD3 PRO 39 HD3 PRO 39 6.805 -13.181 3.493 290 H THR 40 H THR 40 2.618 -16.836 1.711 291 HA THR 40 HA THR 40 3.290 -19.288 2.966 292 HB THR 40 HB THR 40 1.281 -20.224 1.749 293 HG1 THR 40 HG1 THR 40 0.715 -17.644 0.768 294 HG21 THR 40 HG21 THR 40 -0.395 -18.766 2.817 295 HG22 THR 40 HG22 THR 40 0.826 -17.520 3.062 296 HG23 THR 40 HG23 THR 40 0.966 -19.062 3.909 297 H ASN 41 H ASN 41 4.218 -18.151 -0.164 298 HA ASN 41 HA ASN 41 4.657 -20.749 -1.386 299 HB2 ASN 41 HB2 ASN 41 5.700 -19.496 -3.214 300 HB3 ASN 41 HB3 ASN 41 4.192 -18.715 -2.751 301 HD21 ASN 41 HD21 ASN 41 6.634 -17.672 -4.087 302 HD22 ASN 41 HD22 ASN 41 7.099 -16.296 -3.155 303 H GLY 42 H GLY 42 6.259 -19.235 1.105 304 HA2 GLY 42 HA2 GLY 42 8.300 -19.664 2.132 305 HA3 GLY 42 HA3 GLY 42 8.785 -20.641 0.754 306 H GLY 43 H GLY 43 7.729 -17.259 0.995 307 HA2 GLY 43 HA2 GLY 43 10.040 -16.321 -0.591 308 HA3 GLY 43 HA3 GLY 43 8.581 -15.413 -0.224 309 H GLN 44 H GLN 44 10.716 -13.947 0.104 310 HA GLN 44 HA GLN 44 11.982 -13.965 2.655 311 HB2 GLN 44 HB2 GLN 44 12.853 -12.562 0.815 312 HB3 GLN 44 HB3 GLN 44 11.378 -11.602 0.816 313 HG2 GLN 44 HG2 GLN 44 11.927 -10.844 3.143 314 HG3 GLN 44 HG3 GLN 44 13.446 -11.731 3.039 315 HE21 GLN 44 HE21 GLN 44 14.638 -9.834 3.360 316 HE22 GLN 44 HE22 GLN 44 14.789 -8.615 2.151 317 H ARG 45 H ARG 45 11.017 -13.690 4.622 318 HA ARG 45 HA ARG 45 8.466 -12.896 5.223 319 HB2 ARG 45 HB2 ARG 45 10.022 -13.908 6.858 320 HB3 ARG 45 HB3 ARG 45 10.977 -12.430 6.898 321 HG2 ARG 45 HG2 ARG 45 8.894 -11.241 7.776 322 HG3 ARG 45 HG3 ARG 45 8.160 -12.840 7.952 323 HD2 ARG 45 HD2 ARG 45 10.687 -11.852 9.330 324 HD3 ARG 45 HD3 ARG 45 9.104 -12.065 10.079 325 HE ARG 45 HE ARG 45 10.596 -14.349 8.937 326 HH11 ARG 45 HH11 ARG 45 8.857 -12.973 11.592 327 HH12 ARG 45 HH12 ARG 45 9.073 -14.365 12.592 328 HH21 ARG 45 HH21 ARG 45 10.888 -16.097 10.228 329 HH22 ARG 45 HH22 ARG 45 10.245 -16.110 11.835 330 H VAL 46 H VAL 46 7.461 -11.091 4.675 331 HA VAL 46 HA VAL 46 8.844 -8.549 4.287 332 HB VAL 46 HB VAL 46 5.888 -9.181 3.844 333 HG11 VAL 46 HG11 VAL 46 6.390 -6.773 3.943 334 HG12 VAL 46 HG12 VAL 46 5.934 -7.252 2.310 335 HG13 VAL 46 HG13 VAL 46 7.632 -6.962 2.700 336 HG21 VAL 46 HG21 VAL 46 6.460 -9.547 1.461 337 HG22 VAL 46 HG22 VAL 46 7.233 -10.737 2.507 338 HG23 VAL 46 HG23 VAL 46 8.176 -9.399 1.846 339 H ASP 47 H ASP 47 9.221 -7.476 6.146 340 HA ASP 47 HA ASP 47 7.264 -7.451 8.367 341 HB2 ASP 47 HB2 ASP 47 10.184 -6.567 8.293 342 HB3 ASP 47 HB3 ASP 47 9.151 -6.529 9.721 343 H HIS 48 H HIS 48 6.397 -5.533 9.153 344 HA HIS 48 HA HIS 48 5.499 -3.452 9.114 345 HB2 HIS 48 HB2 HIS 48 8.336 -2.705 8.281 346 HB3 HIS 48 HB3 HIS 48 7.107 -1.523 8.718 347 HD1 HIS 48 HD1 HIS 48 8.614 -0.735 10.699 348 HD2 HIS 48 HD2 HIS 48 7.348 -4.681 10.987 349 HE1 HIS 48 HE1 HIS 48 9.095 -1.422 13.057 350 HE2 HIS 48 HE2 HIS 48 8.142 -3.736 13.253 351 H HIS 49 H HIS 49 5.061 -5.024 6.837 352 HA HIS 49 HA HIS 49 5.348 -3.743 4.351 353 HB2 HIS 49 HB2 HIS 49 4.857 -6.141 4.527 354 HB3 HIS 49 HB3 HIS 49 3.297 -5.801 5.263 355 HD2 HIS 49 HD2 HIS 49 1.236 -5.546 3.491 356 HE1 HIS 49 HE1 HIS 49 3.589 -5.251 -0.009 357 HE2 HIS 49 HE2 HIS 49 1.238 -5.216 0.922 358 H LYS 50 H LYS 50 4.245 -2.240 3.364 359 HA LYS 50 HA LYS 50 1.494 -1.574 3.920 360 HB2 LYS 50 HB2 LYS 50 2.071 0.903 4.293 361 HB3 LYS 50 HB3 LYS 50 2.419 -0.180 5.635 362 HG2 LYS 50 HG2 LYS 50 4.788 -0.150 5.139 363 HG3 LYS 50 HG3 LYS 50 4.510 0.740 3.644 364 HD2 LYS 50 HD2 LYS 50 5.395 2.205 5.423 365 HD3 LYS 50 HD3 LYS 50 3.791 2.710 4.899 366 HE2 LYS 50 HE2 LYS 50 2.801 1.617 6.880 367 HE3 LYS 50 HE3 LYS 50 4.409 1.121 7.412 368 HZ1 LYS 50 HZ1 LYS 50 5.005 3.440 7.636 369 HZ2 LYS 50 HZ2 LYS 50 3.615 3.108 8.541 370 HZ3 LYS 50 HZ3 LYS 50 3.487 3.920 7.069 371 H TRP 51 H TRP 51 1.407 -0.145 0.620 372 HA TRP 51 HA TRP 51 0.288 -0.020 3.350 373 HB2 TRP 51 HB2 TRP 51 -0.609 1.412 0.817 374 HB3 TRP 51 HB3 TRP 51 -1.286 1.641 2.434 375 HD1 TRP 51 HD1 TRP 51 1.799 2.510 0.333 376 HE1 TRP 51 HE1 TRP 51 3.223 4.215 1.608 377 HE3 TRP 51 HE3 TRP 51 -0.697 2.505 4.791 378 HZ2 TRP 51 HZ2 TRP 51 3.286 5.430 4.145 379 HZ3 TRP 51 HZ3 TRP 51 0.106 3.973 6.595 380 HH2 TRP 51 HH2 TRP 51 2.060 5.408 6.277 381 H VAL 52 H VAL 52 -1.154 -1.415 3.956 382 HA VAL 52 HA VAL 52 -3.011 -2.676 2.021 383 HB VAL 52 HB VAL 52 -3.392 -4.476 3.749 384 HG11 VAL 52 HG11 VAL 52 -1.895 -4.920 1.859 385 HG12 VAL 52 HG12 VAL 52 -1.310 -5.742 3.306 386 HG13 VAL 52 HG13 VAL 52 -0.523 -4.261 2.754 387 HG21 VAL 52 HG21 VAL 52 -1.781 -4.801 5.596 388 HG22 VAL 52 HG22 VAL 52 -2.627 -3.265 5.774 389 HG23 VAL 52 HG23 VAL 52 -0.969 -3.290 5.174 390 H ILE 53 H ILE 53 -5.177 -2.348 2.349 391 HA ILE 53 HA ILE 53 -5.920 -0.372 4.424 392 HB ILE 53 HB ILE 53 -7.962 0.046 3.066 393 HG12 ILE 53 HG12 ILE 53 -6.755 -1.950 1.083 394 HG13 ILE 53 HG13 ILE 53 -8.228 -2.194 2.013 395 HG21 ILE 53 HG21 ILE 53 -5.384 0.283 1.458 396 HG22 ILE 53 HG22 ILE 53 -5.946 1.419 2.686 397 HG23 ILE 53 HG23 ILE 53 -6.858 1.219 1.191 398 HD11 ILE 53 HD11 ILE 53 -8.729 -1.650 -0.277 399 HD12 ILE 53 HD12 ILE 53 -7.803 -0.155 -0.169 400 HD13 ILE 53 HD13 ILE 53 -9.286 -0.349 0.775 401 H GLN 54 H GLN 54 -7.905 -0.629 5.615 402 HA GLN 54 HA GLN 54 -8.322 -3.039 6.873 403 HB2 GLN 54 HB2 GLN 54 -9.002 -0.848 7.765 404 HB3 GLN 54 HB3 GLN 54 -10.284 -0.724 6.565 405 HG2 GLN 54 HG2 GLN 54 -11.514 -2.518 7.593 406 HG3 GLN 54 HG3 GLN 54 -10.161 -2.918 8.648 407 HE21 GLN 54 HE21 GLN 54 -11.459 -2.691 10.489 408 HE22 GLN 54 HE22 GLN 54 -11.952 -1.149 11.078 409 H GLU 55 H GLU 55 -9.968 -1.872 3.949 410 HA GLU 55 HA GLU 55 -12.080 -3.814 3.928 411 HB2 GLU 55 HB2 GLU 55 -10.987 -2.150 1.622 412 HB3 GLU 55 HB3 GLU 55 -12.497 -3.047 1.605 413 HG2 GLU 55 HG2 GLU 55 -13.090 -0.788 1.943 414 HG3 GLU 55 HG3 GLU 55 -13.288 -1.574 3.508 415 H GLU 56 H GLU 56 -8.778 -4.078 3.200 416 HA GLU 56 HA GLU 56 -9.025 -6.272 1.240 417 HB2 GLU 56 HB2 GLU 56 -7.426 -4.421 0.792 418 HB3 GLU 56 HB3 GLU 56 -6.579 -4.770 2.295 419 HG2 GLU 56 HG2 GLU 56 -5.825 -6.903 1.446 420 HG3 GLU 56 HG3 GLU 56 -6.832 -6.742 0.010 421 H ILE 57 H ILE 57 -8.531 -5.744 4.605 422 HA ILE 57 HA ILE 57 -7.320 -8.366 5.149 423 HB ILE 57 HB ILE 57 -8.158 -6.065 6.980 424 HG12 ILE 57 HG12 ILE 57 -5.383 -7.035 6.112 425 HG13 ILE 57 HG13 ILE 57 -6.173 -5.556 5.578 426 HG21 ILE 57 HG21 ILE 57 -8.394 -8.163 8.223 427 HG22 ILE 57 HG22 ILE 57 -7.008 -7.256 8.823 428 HG23 ILE 57 HG23 ILE 57 -6.758 -8.651 7.771 429 HD11 ILE 57 HD11 ILE 57 -4.459 -5.093 7.217 430 HD12 ILE 57 HD12 ILE 57 -5.235 -6.160 8.384 431 HD13 ILE 57 HD13 ILE 57 -6.043 -4.676 7.868 432 H LYS 58 H LYS 58 -8.463 -10.108 5.972 433 HA LYS 58 HA LYS 58 -11.340 -10.153 5.734 434 HB2 LYS 58 HB2 LYS 58 -9.927 -12.066 5.067 435 HB3 LYS 58 HB3 LYS 58 -9.402 -12.283 6.730 436 HG2 LYS 58 HG2 LYS 58 -11.634 -12.952 7.413 437 HG3 LYS 58 HG3 LYS 58 -12.295 -12.532 5.832 438 HD2 LYS 58 HD2 LYS 58 -12.036 -14.964 6.020 439 HD3 LYS 58 HD3 LYS 58 -10.959 -14.325 4.779 440 HE2 LYS 58 HE2 LYS 58 -9.086 -14.386 6.472 441 HE3 LYS 58 HE3 LYS 58 -10.189 -15.198 7.587 442 HZ1 LYS 58 HZ1 LYS 58 -10.440 -16.956 5.893 443 HZ2 LYS 58 HZ2 LYS 58 -8.861 -16.809 6.472 444 HZ3 LYS 58 HZ3 LYS 58 -9.261 -16.188 4.949 445 H ASP 59 H ASP 59 -9.048 -10.478 8.445 446 HA ASP 59 HA ASP 59 -10.954 -10.842 10.508 447 HB2 ASP 59 HB2 ASP 59 -8.400 -11.375 10.456 448 HB3 ASP 59 HB3 ASP 59 -8.168 -9.697 10.918 449 H ALA 60 H ALA 60 -10.134 -7.998 8.781 450 HA ALA 60 HA ALA 60 -10.236 -5.835 10.307 451 HB1 ALA 60 HB1 ALA 60 -11.875 -6.234 7.794 452 HB2 ALA 60 HB2 ALA 60 -10.161 -5.824 7.864 453 HB3 ALA 60 HB3 ALA 60 -11.362 -4.680 8.461 454 H GLY 61 H GLY 61 -13.403 -7.129 9.088 455 HA2 GLY 61 HA2 GLY 61 -15.492 -7.199 10.031 456 HA3 GLY 61 HA3 GLY 61 -14.694 -7.129 11.590 457 H ASP 62 H ASP 62 -14.087 -4.465 9.490 458 HA ASP 62 HA ASP 62 -14.394 -2.243 9.654 459 HB2 ASP 62 HB2 ASP 62 -17.180 -3.000 10.635 460 HB3 ASP 62 HB3 ASP 62 -16.702 -1.366 10.170 461 H LYS 63 H LYS 63 -13.613 -3.915 12.164 462 HA LYS 63 HA LYS 63 -14.057 -1.916 14.297 463 HB2 LYS 63 HB2 LYS 63 -13.376 -3.609 15.881 464 HB3 LYS 63 HB3 LYS 63 -14.511 -4.364 14.771 465 HG2 LYS 63 HG2 LYS 63 -12.540 -5.310 13.532 466 HG3 LYS 63 HG3 LYS 63 -11.494 -4.690 14.801 467 HD2 LYS 63 HD2 LYS 63 -13.722 -6.730 15.204 468 HD3 LYS 63 HD3 LYS 63 -12.019 -7.131 14.998 469 HE2 LYS 63 HE2 LYS 63 -12.362 -7.236 17.326 470 HE3 LYS 63 HE3 LYS 63 -11.611 -5.660 17.089 471 HZ1 LYS 63 HZ1 LYS 63 -13.476 -5.584 18.616 472 HZ2 LYS 63 HZ2 LYS 63 -14.520 -6.155 17.413 473 HZ3 LYS 63 HZ3 LYS 63 -13.787 -4.644 17.249 474 H THR 64 H THR 64 -12.224 -1.139 15.564 475 HA THR 64 HA THR 64 -9.942 -0.431 13.965 476 HB THR 64 HB THR 64 -10.456 0.055 16.937 477 HG1 THR 64 HG1 THR 64 -11.898 1.321 15.960 478 HG21 THR 64 HG21 THR 64 -8.719 1.829 16.760 479 HG22 THR 64 HG22 THR 64 -8.367 1.322 15.109 480 HG23 THR 64 HG23 THR 64 -8.035 0.230 16.454 481 H LEU 65 H LEU 65 -8.449 -1.948 13.500 482 HA LEU 65 HA LEU 65 -7.499 -3.912 15.455 483 HB2 LEU 65 HB2 LEU 65 -6.500 -3.361 12.630 484 HB3 LEU 65 HB3 LEU 65 -6.079 -4.745 13.627 485 HG LEU 65 HG LEU 65 -8.874 -4.168 12.553 486 HD11 LEU 65 HD11 LEU 65 -7.345 -4.727 10.727 487 HD12 LEU 65 HD12 LEU 65 -8.486 -6.041 11.002 488 HD13 LEU 65 HD13 LEU 65 -6.823 -6.184 11.579 489 HD21 LEU 65 HD21 LEU 65 -9.432 -6.445 13.307 490 HD22 LEU 65 HD22 LEU 65 -8.937 -5.438 14.663 491 HD23 LEU 65 HD23 LEU 65 -7.815 -6.629 13.998 492 H GLN 66 H GLN 66 -5.314 -3.954 16.202 493 HA GLN 66 HA GLN 66 -3.771 -1.435 16.134 494 HB2 GLN 66 HB2 GLN 66 -4.953 -2.731 18.638 495 HB3 GLN 66 HB3 GLN 66 -3.667 -1.533 18.704 496 HG2 GLN 66 HG2 GLN 66 -5.158 0.128 17.636 497 HG3 GLN 66 HG3 GLN 66 -6.444 -1.080 17.574 498 HE21 GLN 66 HE21 GLN 66 -4.559 0.988 19.669 499 HE22 GLN 66 HE22 GLN 66 -5.596 0.881 21.043 500 HA PRO 67 HA PRO 67 0.097 -3.847 16.543 501 HB2 PRO 67 HB2 PRO 67 0.902 -2.999 19.182 502 HB3 PRO 67 HB3 PRO 67 1.477 -2.404 17.623 503 HG2 PRO 67 HG2 PRO 67 -0.654 -1.297 19.414 504 HG3 PRO 67 HG3 PRO 67 0.469 -0.442 18.335 505 HD2 PRO 67 HD2 PRO 67 -2.100 -0.699 17.664 506 HD3 PRO 67 HD3 PRO 67 -0.838 -0.886 16.421 507 H GLY 68 H GLY 68 -0.273 -5.942 16.693 508 HA2 GLY 68 HA2 GLY 68 0.133 -7.922 18.083 509 HA3 GLY 68 HA3 GLY 68 -0.922 -7.235 19.298 510 H ASP 69 H ASP 69 -2.812 -6.503 16.842 511 HA ASP 69 HA ASP 69 -4.501 -8.797 16.993 512 HB2 ASP 69 HB2 ASP 69 -4.529 -6.363 15.168 513 HB3 ASP 69 HB3 ASP 69 -5.706 -7.659 14.970 514 H GLN 70 H GLN 70 -4.365 -10.698 15.978 515 HA GLN 70 HA GLN 70 -2.474 -11.090 13.762 516 HB2 GLN 70 HB2 GLN 70 -2.741 -12.636 15.879 517 HB3 GLN 70 HB3 GLN 70 -4.137 -13.294 15.043 518 HG2 GLN 70 HG2 GLN 70 -2.264 -14.733 14.619 519 HG3 GLN 70 HG3 GLN 70 -2.644 -13.884 13.116 520 HE21 GLN 70 HE21 GLN 70 -0.887 -12.505 15.860 521 HE22 GLN 70 HE22 GLN 70 0.616 -12.327 15.041 522 H VAL 71 H VAL 71 -3.187 -11.054 11.674 523 HA VAL 71 HA VAL 71 -6.064 -11.440 11.067 524 HB VAL 71 HB VAL 71 -5.892 -9.631 9.403 525 HG11 VAL 71 HG11 VAL 71 -6.594 -8.995 11.674 526 HG12 VAL 71 HG12 VAL 71 -5.676 -7.686 10.931 527 HG13 VAL 71 HG13 VAL 71 -4.914 -8.722 12.142 528 HG21 VAL 71 HG21 VAL 71 -3.523 -9.818 8.755 529 HG22 VAL 71 HG22 VAL 71 -3.015 -9.255 10.346 530 HG23 VAL 71 HG23 VAL 71 -3.874 -8.162 9.258 531 H ILE 72 H ILE 72 -6.491 -11.946 8.727 532 HA ILE 72 HA ILE 72 -4.256 -13.339 7.335 533 HB ILE 72 HB ILE 72 -7.238 -13.955 7.064 534 HG12 ILE 72 HG12 ILE 72 -6.379 -14.719 9.261 535 HG13 ILE 72 HG13 ILE 72 -6.785 -16.088 8.236 536 HG21 ILE 72 HG21 ILE 72 -6.047 -14.400 4.963 537 HG22 ILE 72 HG22 ILE 72 -6.536 -15.919 5.714 538 HG23 ILE 72 HG23 ILE 72 -4.855 -15.386 5.814 539 HD11 ILE 72 HD11 ILE 72 -4.006 -15.048 8.813 540 HD12 ILE 72 HD12 ILE 72 -4.388 -16.406 7.749 541 HD13 ILE 72 HD13 ILE 72 -4.752 -16.504 9.471 542 H LEU 73 H LEU 73 -3.822 -12.772 5.247 543 HA LEU 73 HA LEU 73 -5.141 -10.410 4.090 544 HB2 LEU 73 HB2 LEU 73 -2.667 -11.922 3.160 545 HB3 LEU 73 HB3 LEU 73 -3.210 -10.355 2.569 546 HG LEU 73 HG LEU 73 -2.204 -10.922 5.393 547 HD11 LEU 73 HD11 LEU 73 -0.842 -9.446 3.116 548 HD12 LEU 73 HD12 LEU 73 -0.406 -11.043 3.728 549 HD13 LEU 73 HD13 LEU 73 -0.221 -9.629 4.761 550 HD21 LEU 73 HD21 LEU 73 -2.264 -8.481 5.731 551 HD22 LEU 73 HD22 LEU 73 -3.874 -9.109 5.396 552 HD23 LEU 73 HD23 LEU 73 -2.980 -8.261 4.132 553 H GLU 74 H GLU 74 -6.931 -10.904 2.895 554 HA GLU 74 HA GLU 74 -7.146 -13.338 1.313 555 HB2 GLU 74 HB2 GLU 74 -9.052 -11.009 1.729 556 HB3 GLU 74 HB3 GLU 74 -9.404 -12.342 0.619 557 HG2 GLU 74 HG2 GLU 74 -8.988 -12.532 3.611 558 HG3 GLU 74 HG3 GLU 74 -10.501 -12.751 2.735 559 H ALA 75 H ALA 75 -5.848 -10.281 0.639 560 HA ALA 75 HA ALA 75 -6.215 -10.603 -2.281 561 HB1 ALA 75 HB1 ALA 75 -4.945 -8.322 -0.735 562 HB2 ALA 75 HB2 ALA 75 -6.603 -8.356 -1.337 563 HB3 ALA 75 HB3 ALA 75 -5.253 -8.366 -2.474 564 H SER 76 H SER 76 -4.207 -10.052 -3.572 565 HA SER 76 HA SER 76 -1.668 -10.892 -2.397 566 HB2 SER 76 HB2 SER 76 -2.706 -12.990 -3.300 567 HB3 SER 76 HB3 SER 76 -2.825 -12.238 -4.890 568 HG SER 76 HG SER 76 -0.958 -13.495 -4.757 569 H HIS 77 H HIS 77 -0.222 -9.401 -3.004 570 HA HIS 77 HA HIS 77 -0.524 -7.897 -5.536 571 HB2 HIS 77 HB2 HIS 77 1.228 -7.394 -3.079 572 HB3 HIS 77 HB3 HIS 77 1.212 -6.368 -4.508 573 HD2 HIS 77 HD2 HIS 77 -1.650 -7.557 -1.980 574 HE1 HIS 77 HE1 HIS 77 -2.045 -3.429 -2.821 575 HE2 HIS 77 HE2 HIS 77 -2.834 -5.336 -1.354 576 H MET 78 H MET 78 0.932 -10.689 -4.541 577 HA MET 78 HA MET 78 3.077 -10.771 -6.444 578 HB2 MET 78 HB2 MET 78 4.957 -10.899 -4.795 579 HB3 MET 78 HB3 MET 78 4.191 -9.316 -4.806 580 HG2 MET 78 HG2 MET 78 2.917 -9.942 -2.768 581 HG3 MET 78 HG3 MET 78 3.770 -11.493 -2.745 582 HE1 MET 78 HE1 MET 78 4.610 -11.079 -0.266 583 HE2 MET 78 HE2 MET 78 3.690 -9.572 -0.270 584 HE3 MET 78 HE3 MET 78 5.372 -9.577 0.256 585 H LYS 79 H LYS 79 4.640 -12.757 -5.678 586 HA LYS 79 HA LYS 79 3.132 -15.119 -5.728 587 HB2 LYS 79 HB2 LYS 79 6.039 -14.473 -5.315 588 HB3 LYS 79 HB3 LYS 79 5.521 -16.091 -4.887 589 HG2 LYS 79 HG2 LYS 79 6.451 -15.994 -7.151 590 HG3 LYS 79 HG3 LYS 79 4.773 -16.534 -7.148 591 HD2 LYS 79 HD2 LYS 79 4.028 -14.325 -7.917 592 HD3 LYS 79 HD3 LYS 79 5.683 -13.710 -7.821 593 HE2 LYS 79 HE2 LYS 79 5.009 -14.283 -10.149 594 HE3 LYS 79 HE3 LYS 79 6.396 -15.222 -9.600 595 HZ1 LYS 79 HZ1 LYS 79 3.586 -16.183 -9.655 596 HZ2 LYS 79 HZ2 LYS 79 4.935 -17.087 -9.176 597 HZ3 LYS 79 HZ3 LYS 79 4.784 -16.578 -10.782 598 H GLY 80 H GLY 80 1.807 -15.852 -4.165 599 HA2 GLY 80 HA2 GLY 80 1.270 -17.081 -2.300 600 HA3 GLY 80 HA3 GLY 80 2.927 -16.931 -1.754 601 H MET 81 H MET 81 0.928 -14.057 -2.351 602 HA MET 81 HA MET 81 1.205 -13.279 0.448 603 HB2 MET 81 HB2 MET 81 1.556 -11.624 -1.377 604 HB3 MET 81 HB3 MET 81 -0.131 -11.787 -1.844 605 HG2 MET 81 HG2 MET 81 -0.836 -10.875 0.323 606 HG3 MET 81 HG3 MET 81 0.851 -10.750 0.829 607 HE1 MET 81 HE1 MET 81 -0.127 -6.984 0.336 608 HE2 MET 81 HE2 MET 81 0.549 -8.180 1.441 609 HE3 MET 81 HE3 MET 81 -1.153 -8.263 0.985 610 H LYS 82 H LYS 82 -1.566 -13.997 -1.743 611 HA LYS 82 HA LYS 82 -3.605 -13.719 0.198 612 HB2 LYS 82 HB2 LYS 82 -4.129 -13.799 -2.209 613 HB3 LYS 82 HB3 LYS 82 -3.630 -15.486 -2.286 614 HG2 LYS 82 HG2 LYS 82 -5.480 -16.145 -0.822 615 HG3 LYS 82 HG3 LYS 82 -5.948 -14.458 -0.600 616 HD2 LYS 82 HD2 LYS 82 -6.544 -14.296 -2.986 617 HD3 LYS 82 HD3 LYS 82 -6.019 -15.963 -3.246 618 HE2 LYS 82 HE2 LYS 82 -8.478 -15.806 -3.053 619 HE3 LYS 82 HE3 LYS 82 -7.794 -16.775 -1.749 620 HZ1 LYS 82 HZ1 LYS 82 -8.535 -13.911 -1.485 621 HZ2 LYS 82 HZ2 LYS 82 -8.057 -14.954 -0.242 622 HZ3 LYS 82 HZ3 LYS 82 -9.530 -15.197 -1.027 623 H GLY 83 H GLY 83 -4.322 -14.993 1.817 624 HA2 GLY 83 HA2 GLY 83 -4.827 -16.956 2.979 625 HA3 GLY 83 HA3 GLY 83 -3.712 -17.856 1.964 626 H ALA 84 H ALA 84 -1.984 -15.184 2.767 627 HA ALA 84 HA ALA 84 -0.358 -16.582 4.670 628 HB1 ALA 84 HB1 ALA 84 -0.129 -13.727 3.659 629 HB2 ALA 84 HB2 ALA 84 0.635 -15.144 2.937 630 HB3 ALA 84 HB3 ALA 84 1.111 -14.617 4.553 631 H THR 85 H THR 85 -0.096 -16.238 6.793 632 HA THR 85 HA THR 85 -2.075 -14.712 8.298 633 HB THR 85 HB THR 85 0.275 -16.362 9.360 634 HG1 THR 85 HG1 THR 85 -2.300 -17.355 9.611 635 HG21 THR 85 HG21 THR 85 -2.245 -15.394 10.776 636 HG22 THR 85 HG22 THR 85 -0.624 -14.737 11.021 637 HG23 THR 85 HG23 THR 85 -0.986 -16.401 11.486 638 H ALA 86 H ALA 86 -1.712 -12.638 8.835 639 HA ALA 86 HA ALA 86 1.046 -11.559 9.019 640 HB1 ALA 86 HB1 ALA 86 -0.146 -10.666 7.056 641 HB2 ALA 86 HB2 ALA 86 0.121 -9.396 8.250 642 HB3 ALA 86 HB3 ALA 86 -1.476 -10.132 8.086 643 H GLU 87 H GLU 87 1.279 -9.770 10.590 644 HA GLU 87 HA GLU 87 -0.863 -9.595 12.643 645 HB2 GLU 87 HB2 GLU 87 1.075 -10.894 13.537 646 HB3 GLU 87 HB3 GLU 87 2.143 -9.533 13.193 647 HG2 GLU 87 HG2 GLU 87 0.854 -8.141 14.802 648 HG3 GLU 87 HG3 GLU 87 -0.188 -9.519 15.153 649 H ILE 88 H ILE 88 -1.506 -7.568 13.111 650 HA ILE 88 HA ILE 88 -0.569 -5.267 11.728 651 HB ILE 88 HB ILE 88 -2.262 -5.309 14.277 652 HG12 ILE 88 HG12 ILE 88 -3.294 -6.759 12.531 653 HG13 ILE 88 HG13 ILE 88 -4.277 -5.342 12.872 654 HG21 ILE 88 HG21 ILE 88 -2.063 -3.180 12.104 655 HG22 ILE 88 HG22 ILE 88 -1.403 -3.067 13.736 656 HG23 ILE 88 HG23 ILE 88 -3.148 -3.132 13.499 657 HD11 ILE 88 HD11 ILE 88 -2.493 -5.740 10.468 658 HD12 ILE 88 HD12 ILE 88 -3.452 -4.295 10.801 659 HD13 ILE 88 HD13 ILE 88 -4.252 -5.836 10.506 660 H ASP 89 H ASP 89 1.539 -4.700 12.109 661 HA ASP 89 HA ASP 89 2.899 -4.615 14.612 662 HB2 ASP 89 HB2 ASP 89 4.199 -4.792 12.583 663 HB3 ASP 89 HB3 ASP 89 3.413 -3.389 11.870 664 H SER 90 H SER 90 1.039 -2.286 12.713 665 HA SER 90 HA SER 90 0.703 -0.448 14.937 666 HB2 SER 90 HB2 SER 90 2.165 0.536 12.433 667 HB3 SER 90 HB3 SER 90 1.597 1.558 13.750 668 HG SER 90 HG SER 90 3.635 -0.415 13.830 669 H ALA 91 H ALA 91 -1.041 0.973 14.642 670 HA ALA 91 HA ALA 91 -2.753 0.595 12.247 671 HB1 ALA 91 HB1 ALA 91 -3.801 0.021 14.409 672 HB2 ALA 91 HB2 ALA 91 -4.589 1.425 13.686 673 HB3 ALA 91 HB3 ALA 91 -3.454 1.637 15.025 674 H GLU 92 H GLU 92 -3.139 2.383 10.919 675 HA GLU 92 HA GLU 92 -2.040 5.012 11.721 676 HB2 GLU 92 HB2 GLU 92 -0.222 3.625 10.724 677 HB3 GLU 92 HB3 GLU 92 -1.159 3.464 9.244 678 HG2 GLU 92 HG2 GLU 92 -0.867 5.771 8.700 679 HG3 GLU 92 HG3 GLU 92 -0.290 6.152 10.323 680 H LYS 93 H LYS 93 -3.568 6.482 11.334 681 HA LYS 93 HA LYS 93 -5.569 6.167 9.212 682 HB2 LYS 93 HB2 LYS 93 -5.236 8.290 11.387 683 HB3 LYS 93 HB3 LYS 93 -6.564 8.250 10.230 684 HG2 LYS 93 HG2 LYS 93 -5.989 6.065 12.261 685 HG3 LYS 93 HG3 LYS 93 -7.134 7.389 12.508 686 HD2 LYS 93 HD2 LYS 93 -8.411 6.592 10.494 687 HD3 LYS 93 HD3 LYS 93 -7.310 5.213 10.382 688 HE2 LYS 93 HE2 LYS 93 -8.037 4.423 12.589 689 HE3 LYS 93 HE3 LYS 93 -9.062 5.845 12.787 690 HZ1 LYS 93 HZ1 LYS 93 -9.398 3.743 10.723 691 HZ2 LYS 93 HZ2 LYS 93 -10.374 5.112 10.899 692 HZ3 LYS 93 HZ3 LYS 93 -10.339 3.934 12.114 693 H THR 94 H THR 94 -4.392 6.533 7.306 694 HA THR 94 HA THR 94 -3.668 9.343 6.774 695 HB THR 94 HB THR 94 -1.502 8.298 7.126 696 HG1 THR 94 HG1 THR 94 -0.607 8.985 5.265 697 HG21 THR 94 HG21 THR 94 -2.313 6.204 5.075 698 HG22 THR 94 HG22 THR 94 -2.099 5.931 6.806 699 HG23 THR 94 HG23 THR 94 -0.714 6.369 5.806 700 H THR 95 H THR 95 -3.840 9.911 4.517 701 HA THR 95 HA THR 95 -5.997 8.463 3.157 702 HB THR 95 HB THR 95 -4.610 11.043 2.279 703 HG1 THR 95 HG1 THR 95 -6.665 11.921 3.178 704 HG21 THR 95 HG21 THR 95 -7.282 9.830 1.434 705 HG22 THR 95 HG22 THR 95 -5.834 9.923 0.427 706 HG23 THR 95 HG23 THR 95 -6.665 11.399 0.922 707 H VAL 96 H VAL 96 -5.726 7.202 1.354 708 HA VAL 96 HA VAL 96 -2.995 6.810 0.308 709 HB VAL 96 HB VAL 96 -3.686 4.420 -0.207 710 HG11 VAL 96 HG11 VAL 96 -3.303 3.559 2.077 711 HG12 VAL 96 HG12 VAL 96 -3.630 5.163 2.741 712 HG13 VAL 96 HG13 VAL 96 -2.227 4.907 1.700 713 HG21 VAL 96 HG21 VAL 96 -6.139 4.658 -0.080 714 HG22 VAL 96 HG22 VAL 96 -6.036 5.007 1.646 715 HG23 VAL 96 HG23 VAL 96 -5.580 3.412 1.039 716 H TYR 97 H TYR 97 -2.770 6.857 -1.880 717 HA TYR 97 HA TYR 97 -5.150 7.516 -3.505 718 HB2 TYR 97 HB2 TYR 97 -2.299 8.578 -3.706 719 HB3 TYR 97 HB3 TYR 97 -3.569 8.926 -4.880 720 HD1 TYR 97 HD2 TYR 97 -5.705 10.106 -4.029 721 HD2 TYR 97 HD1 TYR 97 -2.104 9.955 -1.733 722 HE1 TYR 97 HE2 TYR 97 -6.488 11.995 -2.681 723 HE2 TYR 97 HE1 TYR 97 -2.902 11.847 -0.379 724 HH TYR 97 HH TYR 97 -6.108 12.942 -0.444 725 H MET 98 H MET 98 -5.470 6.574 -5.400 726 HA MET 98 HA MET 98 -3.753 4.402 -6.358 727 HB2 MET 98 HB2 MET 98 -6.239 4.125 -6.228 728 HB3 MET 98 HB3 MET 98 -6.447 5.453 -7.360 729 HG2 MET 98 HG2 MET 98 -5.290 4.132 -9.096 730 HG3 MET 98 HG3 MET 98 -5.118 2.800 -7.953 731 HE1 MET 98 HE1 MET 98 -7.581 4.848 -10.236 732 HE2 MET 98 HE2 MET 98 -8.204 5.254 -8.636 733 HE3 MET 98 HE3 MET 98 -9.154 4.240 -9.721 734 H VAL 99 H VAL 99 -2.097 4.948 -7.752 735 HA VAL 99 HA VAL 99 -2.349 7.424 -9.394 736 HB VAL 99 HB VAL 99 0.074 7.876 -9.031 737 HG11 VAL 99 HG11 VAL 99 -1.577 9.015 -7.608 738 HG12 VAL 99 HG12 VAL 99 -0.093 8.709 -6.708 739 HG13 VAL 99 HG13 VAL 99 -1.513 7.693 -6.439 740 HG21 VAL 99 HG21 VAL 99 0.876 5.585 -8.538 741 HG22 VAL 99 HG22 VAL 99 -0.007 5.586 -7.009 742 HG23 VAL 99 HG23 VAL 99 1.345 6.696 -7.248 743 H ASP 100 H ASP 100 -1.492 7.445 -11.439 744 HA ASP 100 HA ASP 100 -0.413 4.957 -12.602 745 HB2 ASP 100 HB2 ASP 100 -1.499 7.519 -13.895 746 HB3 ASP 100 HB3 ASP 100 -0.818 6.163 -14.797 747 H TYR 101 H TYR 101 1.827 4.861 -12.727 748 HA TYR 101 HA TYR 101 3.367 7.404 -12.880 749 HB2 TYR 101 HB2 TYR 101 4.926 6.700 -11.191 750 HB3 TYR 101 HB3 TYR 101 3.321 6.476 -10.513 751 HD1 TYR 101 HD1 TYR 101 2.408 4.133 -10.231 752 HD2 TYR 101 HD2 TYR 101 6.433 4.806 -11.508 753 HE1 TYR 101 HE1 TYR 101 2.985 1.812 -9.665 754 HE2 TYR 101 HE2 TYR 101 7.000 2.486 -10.939 755 HH TYR 101 HH TYR 101 4.627 0.129 -10.232 756 H THR 102 H THR 102 5.522 7.235 -13.750 757 HA THR 102 HA THR 102 5.975 4.902 -15.525 758 HB THR 102 HB THR 102 7.348 7.633 -15.635 759 HG1 THR 102 HG1 THR 102 5.077 7.691 -16.158 760 HG21 THR 102 HG21 THR 102 7.321 5.356 -17.669 761 HG22 THR 102 HG22 THR 102 8.694 5.800 -16.648 762 HG23 THR 102 HG23 THR 102 8.107 6.921 -17.877 763 H SER 103 H SER 103 7.041 3.416 -14.331 764 HA SER 103 HA SER 103 8.907 3.784 -12.288 765 HB2 SER 103 HB2 SER 103 7.769 1.623 -12.681 766 HB3 SER 103 HB3 SER 103 8.673 1.409 -14.182 767 HG SER 103 HG SER 103 9.423 0.437 -12.016 768 H THR 104 H THR 104 10.722 4.876 -12.470 769 HA THR 104 HA THR 104 12.210 5.469 -14.773 770 HB THR 104 HB THR 104 13.897 6.433 -13.241 771 HG1 THR 104 HG1 THR 104 12.453 5.633 -10.966 772 HG21 THR 104 HG21 THR 104 11.067 6.939 -12.234 773 HG22 THR 104 HG22 THR 104 11.834 7.761 -13.595 774 HG23 THR 104 HG23 THR 104 12.457 7.987 -11.960 775 H THR 105 H THR 105 12.299 2.587 -12.840 776 HA THR 105 HA THR 105 14.891 1.635 -13.176 777 HB THR 105 HB THR 105 12.288 0.038 -13.174 778 HG1 THR 105 HG1 THR 105 12.266 0.407 -11.105 779 HG21 THR 105 HG21 THR 105 13.641 -1.852 -12.321 780 HG22 THR 105 HG22 THR 105 15.111 -0.895 -12.514 781 HG23 THR 105 HG23 THR 105 14.178 -1.367 -13.934 782 H SER 106 H SER 106 12.061 1.005 -15.311 783 HA SER 106 HA SER 106 13.897 0.159 -17.509 784 HB2 SER 106 HB2 SER 106 12.233 -1.596 -18.097 785 HB3 SER 106 HB3 SER 106 12.854 -1.822 -16.462 786 HG SER 106 HG SER 106 10.556 -2.036 -16.616 787 H GLY 107 H GLY 107 11.718 2.472 -16.677 788 HA2 GLY 107 HA2 GLY 107 10.504 4.015 -17.906 789 HA3 GLY 107 HA3 GLY 107 10.869 3.120 -19.375 790 H GLU 108 H GLU 108 9.601 1.076 -16.964 791 HA GLU 108 HA GLU 108 7.280 0.321 -18.310 792 HB2 GLU 108 HB2 GLU 108 8.405 -1.124 -16.683 793 HB3 GLU 108 HB3 GLU 108 8.108 0.027 -15.391 794 HG2 GLU 108 HG2 GLU 108 5.650 -0.421 -15.613 795 HG3 GLU 108 HG3 GLU 108 6.021 -1.654 -16.819 796 H LYS 109 H LYS 109 5.484 1.585 -18.660 797 HA LYS 109 HA LYS 109 4.619 3.529 -16.635 798 HB2 LYS 109 HB2 LYS 109 2.950 4.293 -18.271 799 HB3 LYS 109 HB3 LYS 109 4.571 4.317 -18.948 800 HG2 LYS 109 HG2 LYS 109 4.090 2.281 -20.232 801 HG3 LYS 109 HG3 LYS 109 2.479 2.189 -19.510 802 HD2 LYS 109 HD2 LYS 109 1.969 4.446 -20.536 803 HD3 LYS 109 HD3 LYS 109 3.533 4.376 -21.354 804 HE2 LYS 109 HE2 LYS 109 1.798 3.688 -22.900 805 HE3 LYS 109 HE3 LYS 109 2.784 2.281 -22.504 806 HZ1 LYS 109 HZ1 LYS 109 1.068 1.569 -20.945 807 HZ2 LYS 109 HZ2 LYS 109 0.426 1.760 -22.499 808 HZ3 LYS 109 HZ3 LYS 109 0.130 2.930 -21.318 809 H VAL 110 H VAL 110 3.000 3.183 -15.282 810 HA VAL 110 HA VAL 110 1.614 0.555 -15.269 811 HB VAL 110 HB VAL 110 2.687 2.067 -12.833 812 HG11 VAL 110 HG11 VAL 110 0.675 0.757 -12.277 813 HG12 VAL 110 HG12 VAL 110 2.101 0.027 -11.541 814 HG13 VAL 110 HG13 VAL 110 1.392 -0.691 -12.989 815 HG21 VAL 110 HG21 VAL 110 3.780 -0.462 -14.127 816 HG22 VAL 110 HG22 VAL 110 4.370 0.269 -12.632 817 HG23 VAL 110 HG23 VAL 110 4.540 1.132 -14.161 818 H LYS 111 H LYS 111 -0.581 0.664 -14.928 819 HA LYS 111 HA LYS 111 -1.734 3.329 -14.351 820 HB2 LYS 111 HB2 LYS 111 -3.753 2.633 -15.564 821 HB3 LYS 111 HB3 LYS 111 -2.329 2.541 -16.577 822 HG2 LYS 111 HG2 LYS 111 -3.318 0.574 -17.219 823 HG3 LYS 111 HG3 LYS 111 -2.389 -0.034 -15.854 824 HD2 LYS 111 HD2 LYS 111 -4.656 -0.948 -15.784 825 HD3 LYS 111 HD3 LYS 111 -4.416 0.132 -14.410 826 HE2 LYS 111 HE2 LYS 111 -5.624 1.927 -15.636 827 HE3 LYS 111 HE3 LYS 111 -5.895 0.812 -16.979 828 HZ1 LYS 111 HZ1 LYS 111 -7.819 0.961 -15.530 829 HZ2 LYS 111 HZ2 LYS 111 -6.898 0.470 -14.201 830 HZ3 LYS 111 HZ3 LYS 111 -7.168 -0.601 -15.484 831 H ASN 112 H ASN 112 -2.967 3.621 -12.663 832 HA ASN 112 HA ASN 112 -3.948 3.416 -10.639 833 HB2 ASN 112 HB2 ASN 112 -5.090 0.880 -11.878 834 HB3 ASN 112 HB3 ASN 112 -5.751 1.716 -10.479 835 HD21 ASN 112 HD21 ASN 112 -5.274 4.412 -11.629 836 HD22 ASN 112 HD22 ASN 112 -6.454 4.598 -12.864 837 H HIS 113 H HIS 113 -1.409 2.749 -10.289 838 HA HIS 113 HA HIS 113 -0.879 0.393 -8.830 839 HB2 HIS 113 HB2 HIS 113 1.003 1.741 -9.492 840 HB3 HIS 113 HB3 HIS 113 0.365 3.169 -8.683 841 HD2 HIS 113 HD2 HIS 113 1.297 3.540 -6.152 842 HE1 HIS 113 HE1 HIS 113 2.701 -0.399 -5.513 843 HE2 HIS 113 HE2 HIS 113 2.264 1.854 -4.441 844 H LYS 114 H LYS 114 -1.049 -0.153 -6.683 845 HA LYS 114 HA LYS 114 -2.323 1.695 -4.760 846 HB2 LYS 114 HB2 LYS 114 -3.231 -1.160 -5.351 847 HB3 LYS 114 HB3 LYS 114 -3.803 -0.199 -3.989 848 HG2 LYS 114 HG2 LYS 114 -4.844 1.410 -5.500 849 HG3 LYS 114 HG3 LYS 114 -4.175 0.569 -6.905 850 HD2 LYS 114 HD2 LYS 114 -5.516 -1.436 -6.325 851 HD3 LYS 114 HD3 LYS 114 -6.202 -0.572 -4.944 852 HE2 LYS 114 HE2 LYS 114 -7.252 1.049 -6.452 853 HE3 LYS 114 HE3 LYS 114 -6.508 0.267 -7.850 854 HZ1 LYS 114 HZ1 LYS 114 -8.804 -0.404 -7.551 855 HZ2 LYS 114 HZ2 LYS 114 -8.460 -0.997 -6.006 856 HZ3 LYS 114 HZ3 LYS 114 -7.769 -1.722 -7.363 857 H TRP 115 H TRP 115 -0.392 0.268 -2.136 858 HA TRP 115 HA TRP 115 -1.606 2.596 -3.528 859 HB2 TRP 115 HB2 TRP 115 -1.535 2.020 -0.529 860 HB3 TRP 115 HB3 TRP 115 -2.253 3.441 -1.276 861 HD1 TRP 115 HD1 TRP 115 -2.979 -0.189 -0.476 862 HE1 TRP 115 HE1 TRP 115 -5.405 -0.736 -1.104 863 HE3 TRP 115 HE3 TRP 115 -4.143 4.091 -3.003 864 HZ2 TRP 115 HZ2 TRP 115 -7.536 0.467 -2.492 865 HZ3 TRP 115 HZ3 TRP 115 -6.401 4.318 -3.961 866 HH2 TRP 115 HH2 TRP 115 -8.065 2.541 -3.706 867 H VAL 116 H VAL 116 -0.872 4.659 -2.944 868 HA VAL 116 HA VAL 116 1.662 4.954 -1.419 869 HB VAL 116 HB VAL 116 2.083 7.094 -2.673 870 HG11 VAL 116 HG11 VAL 116 2.928 6.097 -4.776 871 HG12 VAL 116 HG12 VAL 116 1.968 4.646 -4.482 872 HG13 VAL 116 HG13 VAL 116 3.287 5.066 -3.387 873 HG21 VAL 116 HG21 VAL 116 0.866 7.563 -4.783 874 HG22 VAL 116 HG22 VAL 116 -0.226 7.578 -3.397 875 HG23 VAL 116 HG23 VAL 116 -0.197 6.185 -4.480 876 H THR 117 H THR 117 1.674 7.202 -0.277 877 HA THR 117 HA THR 117 -1.098 7.995 0.503 878 HB THR 117 HB THR 117 -0.121 8.771 2.711 879 HG1 THR 117 HG1 THR 117 2.136 7.199 1.959 880 HG21 THR 117 HG21 THR 117 0.045 6.508 3.691 881 HG22 THR 117 HG22 THR 117 0.162 5.823 2.070 882 HG23 THR 117 HG23 THR 117 -1.318 6.644 2.577 883 H GLU 118 H GLU 118 -1.290 10.200 1.388 884 HA GLU 118 HA GLU 118 -0.526 12.297 -0.257 885 HB2 GLU 118 HB2 GLU 118 -2.336 12.382 1.466 886 HB3 GLU 118 HB3 GLU 118 -1.127 12.401 2.736 887 HG2 GLU 118 HG2 GLU 118 -1.950 14.629 2.479 888 HG3 GLU 118 HG3 GLU 118 -0.300 14.601 1.865 889 H ASP 119 H ASP 119 1.055 11.069 2.645 890 HA ASP 119 HA ASP 119 3.137 12.952 2.968 891 HB2 ASP 119 HB2 ASP 119 3.159 10.006 3.759 892 HB3 ASP 119 HB3 ASP 119 4.133 11.295 4.468 893 H GLU 120 H GLU 120 2.799 10.200 0.837 894 HA GLU 120 HA GLU 120 5.652 10.099 0.113 895 HB2 GLU 120 HB2 GLU 120 3.296 8.325 -0.640 896 HB3 GLU 120 HB3 GLU 120 4.943 8.089 -1.219 897 HG2 GLU 120 HG2 GLU 120 5.685 7.767 1.144 898 HG3 GLU 120 HG3 GLU 120 4.002 7.900 1.660 899 H LEU 121 H LEU 121 3.107 11.957 -0.819 900 HA LEU 121 HA LEU 121 3.886 12.061 -3.682 901 HB2 LEU 121 HB2 LEU 121 1.164 12.693 -2.449 902 HB3 LEU 121 HB3 LEU 121 1.587 12.946 -4.138 903 HG LEU 121 HG LEU 121 1.355 10.262 -2.718 904 HD11 LEU 121 HD11 LEU 121 -0.802 11.301 -3.240 905 HD12 LEU 121 HD12 LEU 121 -0.532 9.866 -4.224 906 HD13 LEU 121 HD13 LEU 121 -0.325 11.472 -4.931 907 HD21 LEU 121 HD21 LEU 121 2.151 10.824 -5.593 908 HD22 LEU 121 HD22 LEU 121 1.790 9.230 -4.925 909 HD23 LEU 121 HD23 LEU 121 3.179 10.137 -4.334 910 H SER 122 H SER 122 4.056 14.109 -4.602 911 HA SER 122 HA SER 122 3.601 16.539 -3.016 912 HB2 SER 122 HB2 SER 122 6.265 15.913 -4.387 913 HB3 SER 122 HB3 SER 122 5.849 17.441 -3.614 914 HG SER 122 HG SER 122 5.651 16.239 -1.635 915 H ALA 123 H ALA 123 2.467 17.940 -4.353 916 HA ALA 123 HA ALA 123 1.739 17.238 -6.982 917 HB1 ALA 123 HB1 ALA 123 1.542 19.989 -5.697 918 HB2 ALA 123 HB2 ALA 123 0.354 18.693 -5.550 919 HB3 ALA 123 HB3 ALA 123 0.652 19.438 -7.119 920 H LYS 124 H LYS 124 3.054 17.168 -8.684 921 HA LYS 124 HA LYS 124 5.124 17.135 -9.671 922 HB2 LYS 124 HB2 LYS 124 3.639 18.499 -11.054 923 HB3 LYS 124 HB3 LYS 124 4.128 19.958 -10.205 924 HG2 LYS 124 HG2 LYS 124 5.214 19.829 -12.380 925 HG3 LYS 124 HG3 LYS 124 6.418 19.720 -11.093 926 HD2 LYS 124 HD2 LYS 124 6.520 17.259 -11.407 927 HD3 LYS 124 HD3 LYS 124 5.300 17.373 -12.682 928 HE2 LYS 124 HE2 LYS 124 6.859 18.802 -14.004 929 HE3 LYS 124 HE3 LYS 124 8.075 18.618 -12.739 930 HZ1 LYS 124 HZ1 LYS 124 8.112 16.252 -13.163 931 HZ2 LYS 124 HZ2 LYS 124 8.441 17.112 -14.580 932 HZ3 LYS 124 HZ3 LYS 124 6.920 16.413 -14.353 933 H LEU 125 H LEU 125 6.318 16.920 -7.605 934 HA LEU 125 HA LEU 125 7.853 19.025 -6.460 935 HB2 LEU 125 HB2 LEU 125 7.476 16.724 -5.468 936 HB3 LEU 125 HB3 LEU 125 8.572 16.068 -6.665 937 HG LEU 125 HG LEU 125 10.395 17.548 -5.666 938 HD11 LEU 125 HD11 LEU 125 8.990 19.195 -4.531 939 HD12 LEU 125 HD12 LEU 125 10.070 18.407 -3.384 940 HD13 LEU 125 HD13 LEU 125 8.364 17.950 -3.443 941 HD21 LEU 125 HD21 LEU 125 10.290 15.139 -5.180 942 HD22 LEU 125 HD22 LEU 125 9.180 15.434 -3.839 943 HD23 LEU 125 HD23 LEU 125 10.840 16.036 -3.765 944 H GLU 126 H GLU 126 9.544 20.146 -7.348 945 HA GLU 126 HA GLU 126 10.485 19.700 -9.962 946 HB2 GLU 126 HB2 GLU 126 12.217 21.437 -9.526 947 HB3 GLU 126 HB3 GLU 126 10.593 21.940 -9.090 948 HG2 GLU 126 HG2 GLU 126 12.594 20.942 -7.044 949 HG3 GLU 126 HG3 GLU 126 12.503 22.630 -7.533 950 H HIS 127 H HIS 127 11.985 18.446 -10.805 951 HA HIS 127 HA HIS 127 12.967 16.195 -9.533 952 HB2 HIS 127 HB2 HIS 127 14.306 15.825 -11.639 953 HB3 HIS 127 HB3 HIS 127 12.618 16.219 -11.924 954 HD1 HIS 127 HD1 HIS 127 12.086 18.539 -12.983 955 HD2 HIS 127 HD2 HIS 127 16.148 17.702 -12.676 956 HE1 HIS 127 HE1 HIS 127 13.236 20.250 -14.413 957 HE2 HIS 127 HE2 HIS 127 15.691 19.810 -14.105 958 H HIS 128 H HIS 128 14.635 15.804 -8.177 959 HA HIS 128 HA HIS 128 17.234 17.033 -8.583 960 HB2 HIS 128 HB2 HIS 128 15.924 18.641 -7.080 961 HB3 HIS 128 HB3 HIS 128 15.933 17.389 -5.843 962 HD1 HIS 128 HD1 HIS 128 17.684 17.942 -4.165 963 HD2 HIS 128 HD2 HIS 128 18.896 18.964 -8.004 964 HE1 HIS 128 HE1 HIS 128 20.001 18.858 -3.912 965 HE2 HIS 128 HE2 HIS 128 20.631 19.642 -6.211 966 H HIS 129 H HIS 129 18.713 15.507 -8.342 967 HA HIS 129 HA HIS 129 18.506 13.380 -6.315 968 HB2 HIS 129 HB2 HIS 129 18.988 11.610 -8.029 969 HB3 HIS 129 HB3 HIS 129 17.428 12.379 -8.283 970 HD1 HIS 129 HD1 HIS 129 20.792 11.953 -9.850 971 HD2 HIS 129 HD2 HIS 129 17.224 13.929 -10.647 972 HE1 HIS 129 HE1 HIS 129 20.998 12.782 -12.203 973 HE2 HIS 129 HE2 HIS 129 18.748 13.761 -12.731 974 H HIS 130 H HIS 130 20.626 11.893 -6.648 975 HA HIS 130 HA HIS 130 23.042 13.317 -7.338 976 HB2 HIS 130 HB2 HIS 130 23.917 13.238 -4.892 977 HB3 HIS 130 HB3 HIS 130 22.793 14.518 -5.319 978 HD1 HIS 130 HD1 HIS 130 20.769 14.747 -3.900 979 HD2 HIS 130 HD2 HIS 130 22.616 11.060 -3.360 980 HE1 HIS 130 HE1 HIS 130 19.555 13.668 -1.999 981 HE2 HIS 130 HE2 HIS 130 20.683 11.449 -1.675 982 H HIS 131 H HIS 131 25.043 12.123 -6.510 983 HA HIS 131 HA HIS 131 24.956 9.457 -7.488 984 HB2 HIS 131 HB2 HIS 131 27.208 10.905 -6.031 985 HB3 HIS 131 HB3 HIS 131 27.381 9.371 -6.881 986 HD1 HIS 131 HD1 HIS 131 26.791 9.512 -9.553 987 HD2 HIS 131 HD2 HIS 131 27.642 13.094 -7.630 988 HE1 HIS 131 HE1 HIS 131 27.318 11.141 -11.381 989 HE2 HIS 131 HE2 HIS 131 27.667 13.332 -10.203 990 H HIS 132 H HIS 132 23.771 8.043 -6.354 991 HA HIS 132 HA HIS 132 24.674 7.033 -3.786 992 HB2 HIS 132 HB2 HIS 132 23.176 8.852 -3.061 993 HB3 HIS 132 HB3 HIS 132 21.881 8.241 -4.085 994 HD1 HIS 132 HD1 HIS 132 23.861 7.240 -0.992 995 HD2 HIS 132 HD2 HIS 132 20.244 6.414 -2.858 996 HE1 HIS 132 HE1 HIS 132 22.603 5.765 0.599 997 HE2 HIS 132 HE2 HIS 132 20.461 5.208 -0.589 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -3.278 16.464 -1.070 2 H2 MET 1 H2 MET 1 -4.486 15.285 -0.963 3 H3 MET 1 H3 MET 1 -4.905 16.914 -1.133 4 HA MET 1 HA MET 1 -4.009 17.010 -3.321 5 HB2 MET 1 HB2 MET 1 -3.291 14.078 -2.871 6 HB3 MET 1 HB3 MET 1 -3.151 14.919 -4.411 7 HG2 MET 1 HG2 MET 1 -1.418 16.346 -3.551 8 HG3 MET 1 HG3 MET 1 -1.650 15.729 -1.911 9 HE1 MET 1 HE1 MET 1 1.882 14.303 -2.915 10 HE2 MET 1 HE2 MET 1 0.994 15.308 -1.769 11 HE3 MET 1 HE3 MET 1 1.225 15.856 -3.431 12 H LYS 2 H LYS 2 -5.384 16.604 -5.088 13 HA LYS 2 HA LYS 2 -7.819 15.013 -4.513 14 HB2 LYS 2 HB2 LYS 2 -8.987 16.633 -6.125 15 HB3 LYS 2 HB3 LYS 2 -8.540 17.254 -4.551 16 HG2 LYS 2 HG2 LYS 2 -8.096 18.985 -6.105 17 HG3 LYS 2 HG3 LYS 2 -6.530 18.342 -5.621 18 HD2 LYS 2 HD2 LYS 2 -6.298 17.155 -7.732 19 HD3 LYS 2 HD3 LYS 2 -7.952 17.561 -8.198 20 HE2 LYS 2 HE2 LYS 2 -6.257 18.967 -9.360 21 HE3 LYS 2 HE3 LYS 2 -7.367 19.923 -8.382 22 HZ1 LYS 2 HZ1 LYS 2 -5.007 20.594 -8.205 23 HZ2 LYS 2 HZ2 LYS 2 -4.657 19.112 -7.476 24 HZ3 LYS 2 HZ3 LYS 2 -5.707 20.201 -6.719 25 H VAL 3 H VAL 3 -8.953 14.100 -6.369 26 HA VAL 3 HA VAL 3 -7.253 12.518 -7.991 27 HB VAL 3 HB VAL 3 -10.265 12.910 -8.270 28 HG11 VAL 3 HG11 VAL 3 -8.489 10.643 -9.278 29 HG12 VAL 3 HG12 VAL 3 -9.324 11.837 -10.276 30 HG13 VAL 3 HG13 VAL 3 -10.255 10.662 -9.347 31 HG21 VAL 3 HG21 VAL 3 -9.669 12.195 -5.990 32 HG22 VAL 3 HG22 VAL 3 -8.719 10.855 -6.636 33 HG23 VAL 3 HG23 VAL 3 -10.469 10.882 -6.855 34 H GLY 4 H GLY 4 -6.572 12.719 -10.047 35 HA2 GLY 4 HA2 GLY 4 -6.662 13.517 -12.310 36 HA3 GLY 4 HA3 GLY 4 -7.471 14.971 -11.745 37 H SER 5 H SER 5 -5.204 14.591 -9.465 38 HA SER 5 HA SER 5 -3.518 16.679 -10.569 39 HB2 SER 5 HB2 SER 5 -4.218 16.842 -8.229 40 HB3 SER 5 HB3 SER 5 -3.463 15.291 -7.855 41 HG SER 5 HG SER 5 -1.455 16.205 -8.202 42 H GLN 6 H GLN 6 -1.314 16.585 -10.937 43 HA GLN 6 HA GLN 6 -0.087 13.933 -11.364 44 HB2 GLN 6 HB2 GLN 6 0.695 16.699 -12.378 45 HB3 GLN 6 HB3 GLN 6 1.686 15.261 -12.629 46 HG2 GLN 6 HG2 GLN 6 -0.173 14.215 -13.889 47 HG3 GLN 6 HG3 GLN 6 -1.146 15.667 -13.650 48 HE21 GLN 6 HE21 GLN 6 1.648 14.327 -15.292 49 HE22 GLN 6 HE22 GLN 6 1.774 15.559 -16.494 50 H VAL 7 H VAL 7 1.195 13.192 -9.864 51 HA VAL 7 HA VAL 7 2.531 14.989 -7.911 52 HB VAL 7 HB VAL 7 2.130 13.299 -6.137 53 HG11 VAL 7 HG11 VAL 7 -0.446 14.212 -7.480 54 HG12 VAL 7 HG12 VAL 7 0.532 15.157 -6.355 55 HG13 VAL 7 HG13 VAL 7 -0.291 13.700 -5.795 56 HG21 VAL 7 HG21 VAL 7 1.956 11.246 -7.510 57 HG22 VAL 7 HG22 VAL 7 0.421 11.805 -8.175 58 HG23 VAL 7 HG23 VAL 7 0.548 11.413 -6.458 59 H ILE 8 H ILE 8 4.517 14.235 -7.044 60 HA ILE 8 HA ILE 8 5.992 12.279 -8.709 61 HB ILE 8 HB ILE 8 7.146 14.204 -6.635 62 HG12 ILE 8 HG12 ILE 8 6.029 15.560 -8.352 63 HG13 ILE 8 HG13 ILE 8 7.772 15.701 -8.540 64 HG21 ILE 8 HG21 ILE 8 8.639 12.324 -7.170 65 HG22 ILE 8 HG22 ILE 8 9.302 13.831 -7.803 66 HG23 ILE 8 HG23 ILE 8 8.517 12.686 -8.894 67 HD11 ILE 8 HD11 ILE 8 6.694 15.556 -10.686 68 HD12 ILE 8 HD12 ILE 8 5.912 14.039 -10.243 69 HD13 ILE 8 HD13 ILE 8 7.668 14.110 -10.424 70 H ILE 9 H ILE 9 6.727 10.351 -7.809 71 HA ILE 9 HA ILE 9 5.730 9.552 -5.203 72 HB ILE 9 HB ILE 9 7.482 8.013 -7.175 73 HG12 ILE 9 HG12 ILE 9 4.446 7.902 -6.801 74 HG13 ILE 9 HG13 ILE 9 5.250 8.773 -8.101 75 HG21 ILE 9 HG21 ILE 9 5.846 6.991 -4.812 76 HG22 ILE 9 HG22 ILE 9 7.608 7.056 -4.903 77 HG23 ILE 9 HG23 ILE 9 6.711 5.980 -5.975 78 HD11 ILE 9 HD11 ILE 9 4.389 6.685 -8.889 79 HD12 ILE 9 HD12 ILE 9 5.279 5.801 -7.653 80 HD13 ILE 9 HD13 ILE 9 6.152 6.647 -8.934 81 H ASN 10 H ASN 10 6.787 10.239 -3.423 82 HA ASN 10 HA ASN 10 9.470 11.304 -3.611 83 HB2 ASN 10 HB2 ASN 10 7.458 12.360 -2.373 84 HB3 ASN 10 HB3 ASN 10 7.756 11.193 -1.094 85 HD21 ASN 10 HD21 ASN 10 9.579 11.480 0.225 86 HD22 ASN 10 HD22 ASN 10 10.526 12.919 0.202 87 H THR 11 H THR 11 7.920 8.518 -2.006 88 HA THR 11 HA THR 11 10.529 7.179 -2.025 89 HB THR 11 HB THR 11 10.030 8.048 0.404 90 HG1 THR 11 HG1 THR 11 11.682 6.564 -0.026 91 HG21 THR 11 HG21 THR 11 8.259 5.576 0.438 92 HG22 THR 11 HG22 THR 11 7.695 7.241 0.602 93 HG23 THR 11 HG23 THR 11 8.736 6.543 1.840 94 H SER 12 H SER 12 10.229 4.751 -1.629 95 HA SER 12 HA SER 12 7.676 3.635 -2.473 96 HB2 SER 12 HB2 SER 12 8.501 2.767 -4.631 97 HB3 SER 12 HB3 SER 12 8.637 4.526 -4.608 98 HG SER 12 HG SER 12 10.644 2.583 -4.499 99 H HIS 13 H HIS 13 7.740 1.300 -2.742 100 HA HIS 13 HA HIS 13 9.816 -0.125 -1.239 101 HB2 HIS 13 HB2 HIS 13 7.201 -1.061 -2.512 102 HB3 HIS 13 HB3 HIS 13 8.309 -2.123 -1.644 103 HD2 HIS 13 HD2 HIS 13 6.757 1.373 -0.488 104 HE1 HIS 13 HE1 HIS 13 6.045 -1.619 2.421 105 HE2 HIS 13 HE2 HIS 13 5.485 0.733 1.682 106 H MET 14 H MET 14 8.554 0.180 -4.541 107 HA MET 14 HA MET 14 10.423 -1.729 -5.711 108 HB2 MET 14 HB2 MET 14 8.493 0.191 -7.103 109 HB3 MET 14 HB3 MET 14 9.339 -1.152 -7.858 110 HG2 MET 14 HG2 MET 14 7.065 -1.801 -7.513 111 HG3 MET 14 HG3 MET 14 8.050 -2.704 -6.363 112 HE1 MET 14 HE1 MET 14 4.719 -2.119 -4.345 113 HE2 MET 14 HE2 MET 14 5.864 -3.322 -4.940 114 HE3 MET 14 HE3 MET 14 4.850 -2.426 -6.076 115 H LYS 15 H LYS 15 12.364 -1.215 -6.677 116 HA LYS 15 HA LYS 15 13.691 1.240 -6.311 117 HB2 LYS 15 HB2 LYS 15 14.946 -0.820 -6.604 118 HB3 LYS 15 HB3 LYS 15 14.267 -1.070 -8.209 119 HG2 LYS 15 HG2 LYS 15 15.491 0.916 -9.038 120 HG3 LYS 15 HG3 LYS 15 16.174 1.168 -7.429 121 HD2 LYS 15 HD2 LYS 15 17.396 -0.942 -7.568 122 HD3 LYS 15 HD3 LYS 15 16.611 -1.337 -9.102 123 HE2 LYS 15 HE2 LYS 15 18.932 -0.506 -9.410 124 HE3 LYS 15 HE3 LYS 15 17.743 0.526 -10.206 125 HZ1 LYS 15 HZ1 LYS 15 19.433 1.800 -9.033 126 HZ2 LYS 15 HZ2 LYS 15 18.996 1.077 -7.571 127 HZ3 LYS 15 HZ3 LYS 15 17.900 2.079 -8.374 128 H GLY 16 H GLY 16 11.911 0.027 -9.140 129 HA2 GLY 16 HA2 GLY 16 12.600 2.229 -10.881 130 HA3 GLY 16 HA3 GLY 16 11.419 0.972 -11.193 131 H MET 17 H MET 17 10.435 2.113 -8.280 132 HA MET 17 HA MET 17 8.388 3.794 -9.559 133 HB2 MET 17 HB2 MET 17 7.759 1.797 -8.140 134 HB3 MET 17 HB3 MET 17 8.382 2.655 -6.735 135 HG2 MET 17 HG2 MET 17 6.688 4.331 -6.910 136 HG3 MET 17 HG3 MET 17 6.202 3.769 -8.507 137 HE1 MET 17 HE1 MET 17 6.712 2.094 -4.877 138 HE2 MET 17 HE2 MET 17 4.999 1.907 -4.487 139 HE3 MET 17 HE3 MET 17 5.675 3.517 -4.734 140 H LYS 18 H LYS 18 11.026 4.070 -7.233 141 HA LYS 18 HA LYS 18 10.224 6.544 -6.047 142 HB2 LYS 18 HB2 LYS 18 12.561 6.671 -5.185 143 HB3 LYS 18 HB3 LYS 18 11.760 5.144 -4.848 144 HG2 LYS 18 HG2 LYS 18 12.992 4.203 -6.878 145 HG3 LYS 18 HG3 LYS 18 13.952 5.684 -6.863 146 HD2 LYS 18 HD2 LYS 18 13.731 3.770 -4.496 147 HD3 LYS 18 HD3 LYS 18 15.009 3.689 -5.706 148 HE2 LYS 18 HE2 LYS 18 15.900 4.834 -3.794 149 HE3 LYS 18 HE3 LYS 18 15.669 6.039 -5.052 150 HZ1 LYS 18 HZ1 LYS 18 14.974 6.725 -2.788 151 HZ2 LYS 18 HZ2 LYS 18 13.735 5.578 -2.854 152 HZ3 LYS 18 HZ3 LYS 18 13.756 6.862 -3.950 153 H GLY 19 H GLY 19 10.395 8.563 -6.737 154 HA2 GLY 19 HA2 GLY 19 11.160 10.468 -7.844 155 HA3 GLY 19 HA3 GLY 19 12.387 9.503 -8.648 156 H ALA 20 H ALA 20 9.516 7.907 -9.141 157 HA ALA 20 HA ALA 20 9.208 8.824 -11.879 158 HB1 ALA 20 HB1 ALA 20 7.614 6.754 -10.320 159 HB2 ALA 20 HB2 ALA 20 9.029 6.429 -11.324 160 HB3 ALA 20 HB3 ALA 20 7.542 7.023 -12.066 161 H GLU 21 H GLU 21 7.265 9.750 -12.782 162 HA GLU 21 HA GLU 21 5.777 11.437 -10.886 163 HB2 GLU 21 HB2 GLU 21 6.768 12.531 -12.867 164 HB3 GLU 21 HB3 GLU 21 5.817 11.498 -13.929 165 HG2 GLU 21 HG2 GLU 21 3.743 12.521 -13.142 166 HG3 GLU 21 HG3 GLU 21 4.631 13.487 -11.960 167 H ALA 22 H ALA 22 4.119 10.389 -9.985 168 HA ALA 22 HA ALA 22 2.342 8.607 -11.472 169 HB1 ALA 22 HB1 ALA 22 3.005 7.990 -9.191 170 HB2 ALA 22 HB2 ALA 22 1.263 8.239 -9.287 171 HB3 ALA 22 HB3 ALA 22 2.294 9.476 -8.559 172 H THR 23 H THR 23 -0.048 8.928 -11.245 173 HA THR 23 HA THR 23 -0.963 11.717 -10.803 174 HB THR 23 HB THR 23 -2.007 9.911 -13.055 175 HG1 THR 23 HG1 THR 23 0.172 10.765 -13.364 176 HG21 THR 23 HG21 THR 23 -3.163 11.950 -13.847 177 HG22 THR 23 HG22 THR 23 -2.544 12.856 -12.466 178 HG23 THR 23 HG23 THR 23 -3.687 11.536 -12.210 179 H VAL 24 H VAL 24 -2.817 11.844 -9.584 180 HA VAL 24 HA VAL 24 -3.642 9.526 -8.098 181 HB VAL 24 HB VAL 24 -4.838 12.336 -8.069 182 HG11 VAL 24 HG11 VAL 24 -5.683 11.758 -5.814 183 HG12 VAL 24 HG12 VAL 24 -5.052 10.119 -5.987 184 HG13 VAL 24 HG13 VAL 24 -6.353 10.679 -7.042 185 HG21 VAL 24 HG21 VAL 24 -2.419 12.390 -7.552 186 HG22 VAL 24 HG22 VAL 24 -2.651 11.185 -6.283 187 HG23 VAL 24 HG23 VAL 24 -3.381 12.785 -6.124 188 H THR 25 H THR 25 -4.874 8.022 -9.184 189 HA THR 25 HA THR 25 -7.162 8.823 -10.862 190 HB THR 25 HB THR 25 -7.421 6.342 -11.295 191 HG1 THR 25 HG1 THR 25 -4.903 6.070 -9.986 192 HG21 THR 25 HG21 THR 25 -6.119 7.756 -12.850 193 HG22 THR 25 HG22 THR 25 -5.460 6.120 -12.753 194 HG23 THR 25 HG23 THR 25 -4.662 7.447 -11.903 195 H GLY 26 H GLY 26 -6.540 7.888 -7.602 196 HA2 GLY 26 HA2 GLY 26 -9.381 8.018 -6.968 197 HA3 GLY 26 HA3 GLY 26 -8.599 6.481 -6.613 198 H ALA 27 H ALA 27 -9.781 8.605 -4.852 199 HA ALA 27 HA ALA 27 -7.528 8.808 -2.933 200 HB1 ALA 27 HB1 ALA 27 -9.591 10.991 -3.453 201 HB2 ALA 27 HB2 ALA 27 -7.888 11.048 -3.911 202 HB3 ALA 27 HB3 ALA 27 -8.339 11.025 -2.207 203 H TYR 28 H TYR 28 -8.028 7.946 -0.983 204 HA TYR 28 HA TYR 28 -10.846 7.249 -0.346 205 HB2 TYR 28 HB2 TYR 28 -8.404 5.430 -0.125 206 HB3 TYR 28 HB3 TYR 28 -10.008 5.019 0.460 207 HD1 TYR 28 HD1 TYR 28 -8.078 5.776 -2.666 208 HD2 TYR 28 HD2 TYR 28 -11.594 3.987 -1.020 209 HE1 TYR 28 HE1 TYR 28 -8.601 4.790 -4.856 210 HE2 TYR 28 HE2 TYR 28 -12.111 3.000 -3.208 211 HH TYR 28 HH TYR 28 -11.620 3.443 -5.600 212 H ASP 29 H ASP 29 -11.434 7.757 1.687 213 HA ASP 29 HA ASP 29 -9.378 8.267 3.763 214 HB2 ASP 29 HB2 ASP 29 -11.235 9.568 4.931 215 HB3 ASP 29 HB3 ASP 29 -10.628 10.274 3.439 216 H THR 30 H THR 30 -9.167 6.018 4.104 217 HA THR 30 HA THR 30 -11.204 4.835 5.909 218 HB THR 30 HB THR 30 -11.527 3.683 3.789 219 HG1 THR 30 HG1 THR 30 -11.696 1.939 4.952 220 HG21 THR 30 HG21 THR 30 -9.374 4.174 2.685 221 HG22 THR 30 HG22 THR 30 -9.726 2.446 2.631 222 HG23 THR 30 HG23 THR 30 -8.544 3.067 3.784 223 H THR 31 H THR 31 -10.267 3.103 7.317 224 HA THR 31 HA THR 31 -7.889 3.969 8.615 225 HB THR 31 HB THR 31 -9.342 1.305 8.968 226 HG1 THR 31 HG1 THR 31 -10.479 2.370 10.575 227 HG21 THR 31 HG21 THR 31 -7.089 1.241 9.977 228 HG22 THR 31 HG22 THR 31 -8.317 1.311 11.243 229 HG23 THR 31 HG23 THR 31 -7.404 2.761 10.819 230 H ALA 32 H ALA 32 -5.820 3.524 8.112 231 HA ALA 32 HA ALA 32 -5.166 1.379 6.176 232 HB1 ALA 32 HB1 ALA 32 -3.739 4.024 6.647 233 HB2 ALA 32 HB2 ALA 32 -4.806 3.656 5.290 234 HB3 ALA 32 HB3 ALA 32 -3.275 2.794 5.465 235 H TYR 33 H TYR 33 -3.043 0.341 6.516 236 HA TYR 33 HA TYR 33 -2.223 0.198 9.355 237 HB2 TYR 33 HB2 TYR 33 -3.003 -2.211 7.646 238 HB3 TYR 33 HB3 TYR 33 -2.319 -2.300 9.263 239 HD1 TYR 33 HD1 TYR 33 -3.687 -1.352 11.221 240 HD2 TYR 33 HD2 TYR 33 -5.375 -1.966 7.340 241 HE1 TYR 33 HE1 TYR 33 -5.944 -1.292 12.189 242 HE2 TYR 33 HE2 TYR 33 -7.627 -1.909 8.316 243 HH TYR 33 HH TYR 33 -8.733 -2.245 10.439 244 H VAL 34 H VAL 34 -0.182 -0.400 9.749 245 HA VAL 34 HA VAL 34 1.711 -1.046 7.560 246 HB VAL 34 HB VAL 34 2.259 -0.265 10.480 247 HG11 VAL 34 HG11 VAL 34 4.213 -0.552 8.165 248 HG12 VAL 34 HG12 VAL 34 4.064 -1.651 9.540 249 HG13 VAL 34 HG13 VAL 34 4.614 0.005 9.794 250 HG21 VAL 34 HG21 VAL 34 1.296 1.634 9.235 251 HG22 VAL 34 HG22 VAL 34 2.534 1.464 7.988 252 HG23 VAL 34 HG23 VAL 34 2.991 1.931 9.630 253 H VAL 35 H VAL 35 2.011 -3.272 7.316 254 HA VAL 35 HA VAL 35 1.534 -5.053 9.668 255 HB VAL 35 HB VAL 35 0.620 -6.782 8.103 256 HG11 VAL 35 HG11 VAL 35 -1.603 -5.741 7.764 257 HG12 VAL 35 HG12 VAL 35 -0.904 -4.149 8.069 258 HG13 VAL 35 HG13 VAL 35 -0.938 -5.357 9.355 259 HG21 VAL 35 HG21 VAL 35 1.679 -6.055 5.997 260 HG22 VAL 35 HG22 VAL 35 0.716 -4.576 5.996 261 HG23 VAL 35 HG23 VAL 35 -0.074 -6.142 5.793 262 H SER 36 H SER 36 2.664 -6.998 9.783 263 HA SER 36 HA SER 36 4.996 -7.386 7.993 264 HB2 SER 36 HB2 SER 36 6.135 -8.458 9.961 265 HB3 SER 36 HB3 SER 36 5.778 -6.751 10.226 266 HG SER 36 HG SER 36 4.183 -7.287 11.613 267 H TYR 37 H TYR 37 5.024 -9.308 6.941 268 HA TYR 37 HA TYR 37 3.400 -11.573 7.818 269 HB2 TYR 37 HB2 TYR 37 2.253 -11.781 5.615 270 HB3 TYR 37 HB3 TYR 37 1.803 -10.304 6.451 271 HD1 TYR 37 HD2 TYR 37 2.508 -8.094 5.572 272 HD2 TYR 37 HD1 TYR 37 3.537 -11.686 3.492 273 HE1 TYR 37 HE2 TYR 37 3.092 -6.781 3.585 274 HE2 TYR 37 HE1 TYR 37 4.126 -10.367 1.504 275 HH TYR 37 HH TYR 37 4.502 -6.981 1.585 276 H THR 38 H THR 38 3.941 -13.535 6.810 277 HA THR 38 HA THR 38 6.508 -13.577 5.333 278 HB THR 38 HB THR 38 5.089 -15.915 6.694 279 HG1 THR 38 HG1 THR 38 5.973 -14.317 8.150 280 HG21 THR 38 HG21 THR 38 6.512 -16.647 4.809 281 HG22 THR 38 HG22 THR 38 7.242 -17.115 6.345 282 HG23 THR 38 HG23 THR 38 7.871 -15.723 5.459 283 HA PRO 39 HA PRO 39 3.576 -14.162 1.842 284 HB2 PRO 39 HB2 PRO 39 5.521 -14.139 -0.144 285 HB3 PRO 39 HB3 PRO 39 4.799 -12.683 0.549 286 HG2 PRO 39 HG2 PRO 39 7.418 -14.009 1.199 287 HG3 PRO 39 HG3 PRO 39 7.050 -12.281 1.022 288 HD2 PRO 39 HD2 PRO 39 7.298 -13.449 3.455 289 HD3 PRO 39 HD3 PRO 39 6.152 -12.120 3.176 290 H THR 40 H THR 40 2.830 -16.054 0.992 291 HA THR 40 HA THR 40 3.921 -18.530 1.889 292 HB THR 40 HB THR 40 1.991 -19.583 0.674 293 HG1 THR 40 HG1 THR 40 0.750 -17.231 0.038 294 HG21 THR 40 HG21 THR 40 1.658 -18.701 2.970 295 HG22 THR 40 HG22 THR 40 0.197 -18.531 1.999 296 HG23 THR 40 HG23 THR 40 1.220 -17.125 2.299 297 H ASN 41 H ASN 41 4.750 -16.763 -0.925 298 HA ASN 41 HA ASN 41 5.689 -18.798 -2.634 299 HB2 ASN 41 HB2 ASN 41 5.619 -16.363 -3.180 300 HB3 ASN 41 HB3 ASN 41 6.899 -16.066 -2.013 301 HD21 ASN 41 HD21 ASN 41 8.219 -15.149 -3.607 302 HD22 ASN 41 HD22 ASN 41 8.999 -16.098 -4.817 303 H GLY 42 H GLY 42 6.863 -17.692 0.461 304 HA2 GLY 42 HA2 GLY 42 8.036 -18.938 2.025 305 HA3 GLY 42 HA3 GLY 42 8.419 -20.115 0.781 306 H GLY 43 H GLY 43 9.204 -16.666 0.393 307 HA2 GLY 43 HA2 GLY 43 12.064 -17.277 0.388 308 HA3 GLY 43 HA3 GLY 43 11.294 -15.785 -0.129 309 H GLN 44 H GLN 44 11.407 -14.075 1.219 310 HA GLN 44 HA GLN 44 12.323 -14.443 4.024 311 HB2 GLN 44 HB2 GLN 44 12.648 -11.988 2.233 312 HB3 GLN 44 HB3 GLN 44 13.229 -12.139 3.891 313 HG2 GLN 44 HG2 GLN 44 14.743 -13.996 3.131 314 HG3 GLN 44 HG3 GLN 44 14.215 -13.694 1.474 315 HE21 GLN 44 HE21 GLN 44 16.299 -13.120 0.767 316 HE22 GLN 44 HE22 GLN 44 17.062 -11.645 1.239 317 H ARG 45 H ARG 45 11.135 -13.538 5.674 318 HA ARG 45 HA ARG 45 8.461 -12.699 5.382 319 HB2 ARG 45 HB2 ARG 45 9.393 -13.624 7.495 320 HB3 ARG 45 HB3 ARG 45 10.394 -12.190 7.699 321 HG2 ARG 45 HG2 ARG 45 8.165 -10.859 7.764 322 HG3 ARG 45 HG3 ARG 45 7.374 -12.427 7.952 323 HD2 ARG 45 HD2 ARG 45 7.723 -11.383 10.142 324 HD3 ARG 45 HD3 ARG 45 8.718 -12.838 10.005 325 HE ARG 45 HE ARG 45 10.011 -10.317 9.305 326 HH11 ARG 45 HH11 ARG 45 9.581 -12.706 11.766 327 HH12 ARG 45 HH12 ARG 45 10.963 -12.177 12.655 328 HH21 ARG 45 HH21 ARG 45 11.771 -9.681 10.439 329 HH22 ARG 45 HH22 ARG 45 12.186 -10.479 11.912 330 H VAL 46 H VAL 46 7.634 -10.792 4.745 331 HA VAL 46 HA VAL 46 9.291 -8.385 4.482 332 HB VAL 46 HB VAL 46 6.390 -8.846 3.643 333 HG11 VAL 46 HG11 VAL 46 6.923 -6.446 3.889 334 HG12 VAL 46 HG12 VAL 46 6.688 -6.860 2.191 335 HG13 VAL 46 HG13 VAL 46 8.320 -6.632 2.824 336 HG21 VAL 46 HG21 VAL 46 7.264 -9.198 1.356 337 HG22 VAL 46 HG22 VAL 46 7.893 -10.411 2.471 338 HG23 VAL 46 HG23 VAL 46 8.917 -9.067 1.959 339 H ASP 47 H ASP 47 9.375 -6.961 6.140 340 HA ASP 47 HA ASP 47 7.196 -6.907 8.153 341 HB2 ASP 47 HB2 ASP 47 8.866 -6.036 9.766 342 HB3 ASP 47 HB3 ASP 47 9.317 -7.620 9.139 343 H HIS 48 H HIS 48 6.484 -4.915 8.973 344 HA HIS 48 HA HIS 48 5.740 -2.770 8.900 345 HB2 HIS 48 HB2 HIS 48 8.610 -2.182 8.043 346 HB3 HIS 48 HB3 HIS 48 7.486 -1.016 8.741 347 HD1 HIS 48 HD1 HIS 48 10.235 -2.983 9.739 348 HD2 HIS 48 HD2 HIS 48 6.528 -2.226 11.443 349 HE1 HIS 48 HE1 HIS 48 10.500 -3.506 12.173 350 HE2 HIS 48 HE2 HIS 48 8.187 -3.274 13.119 351 H HIS 49 H HIS 49 5.326 -4.288 6.482 352 HA HIS 49 HA HIS 49 5.725 -2.691 4.130 353 HB2 HIS 49 HB2 HIS 49 5.508 -5.174 4.059 354 HB3 HIS 49 HB3 HIS 49 3.834 -5.041 4.585 355 HD2 HIS 49 HD2 HIS 49 1.995 -4.347 2.587 356 HE1 HIS 49 HE1 HIS 49 4.827 -4.329 -0.554 357 HE2 HIS 49 HE2 HIS 49 2.368 -4.439 0.023 358 H LYS 50 H LYS 50 4.633 -0.916 3.650 359 HA LYS 50 HA LYS 50 1.776 -0.655 4.355 360 HB2 LYS 50 HB2 LYS 50 2.089 1.626 5.101 361 HB3 LYS 50 HB3 LYS 50 3.190 0.584 5.993 362 HG2 LYS 50 HG2 LYS 50 5.048 1.329 4.474 363 HG3 LYS 50 HG3 LYS 50 3.912 2.442 3.698 364 HD2 LYS 50 HD2 LYS 50 3.546 3.498 5.990 365 HD3 LYS 50 HD3 LYS 50 4.876 2.498 6.587 366 HE2 LYS 50 HE2 LYS 50 6.361 3.564 4.860 367 HE3 LYS 50 HE3 LYS 50 5.018 4.628 4.430 368 HZ1 LYS 50 HZ1 LYS 50 6.541 5.696 5.935 369 HZ2 LYS 50 HZ2 LYS 50 6.332 4.472 7.083 370 HZ3 LYS 50 HZ3 LYS 50 5.038 5.483 6.680 371 H TRP 51 H TRP 51 1.066 0.998 1.261 372 HA TRP 51 HA TRP 51 0.292 0.361 4.048 373 HB2 TRP 51 HB2 TRP 51 -1.029 2.233 2.042 374 HB3 TRP 51 HB3 TRP 51 -1.706 1.832 3.621 375 HD1 TRP 51 HD1 TRP 51 1.036 3.933 1.992 376 HE1 TRP 51 HE1 TRP 51 2.034 5.501 3.761 377 HE3 TRP 51 HE3 TRP 51 -1.215 2.029 6.178 378 HZ2 TRP 51 HZ2 TRP 51 1.929 5.882 6.520 379 HZ3 TRP 51 HZ3 TRP 51 -0.695 3.058 8.359 380 HH2 TRP 51 HH2 TRP 51 0.859 4.947 8.511 381 H VAL 52 H VAL 52 -1.503 -0.787 4.474 382 HA VAL 52 HA VAL 52 -3.094 -1.995 2.292 383 HB VAL 52 HB VAL 52 -3.413 -4.044 3.658 384 HG11 VAL 52 HG11 VAL 52 -1.191 -5.086 3.336 385 HG12 VAL 52 HG12 VAL 52 -0.469 -3.488 3.125 386 HG13 VAL 52 HG13 VAL 52 -1.645 -4.086 1.953 387 HG21 VAL 52 HG21 VAL 52 -1.998 -4.529 5.640 388 HG22 VAL 52 HG22 VAL 52 -3.056 -3.146 5.918 389 HG23 VAL 52 HG23 VAL 52 -1.345 -2.889 5.572 390 H ILE 53 H ILE 53 -5.356 -1.904 2.669 391 HA ILE 53 HA ILE 53 -6.071 -0.058 4.886 392 HB ILE 53 HB ILE 53 -8.018 0.647 3.579 393 HG12 ILE 53 HG12 ILE 53 -7.012 -1.178 1.335 394 HG13 ILE 53 HG13 ILE 53 -8.440 -1.491 2.316 395 HG21 ILE 53 HG21 ILE 53 -6.819 1.868 1.793 396 HG22 ILE 53 HG22 ILE 53 -5.434 0.790 1.978 397 HG23 ILE 53 HG23 ILE 53 -5.901 1.862 3.302 398 HD11 ILE 53 HD11 ILE 53 -9.497 0.533 1.413 399 HD12 ILE 53 HD12 ILE 53 -9.037 -0.602 0.145 400 HD13 ILE 53 HD13 ILE 53 -8.061 0.836 0.431 401 H GLN 54 H GLN 54 -8.254 -0.253 5.814 402 HA GLN 54 HA GLN 54 -8.854 -2.689 6.928 403 HB2 GLN 54 HB2 GLN 54 -9.565 -0.224 7.513 404 HB3 GLN 54 HB3 GLN 54 -10.983 -0.564 6.536 405 HG2 GLN 54 HG2 GLN 54 -10.359 -2.546 8.689 406 HG3 GLN 54 HG3 GLN 54 -10.853 -0.947 9.229 407 HE21 GLN 54 HE21 GLN 54 -12.768 -1.672 10.107 408 HE22 GLN 54 HE22 GLN 54 -14.102 -2.186 9.142 409 H GLU 55 H GLU 55 -10.105 -1.366 3.859 410 HA GLU 55 HA GLU 55 -12.117 -3.346 3.401 411 HB2 GLU 55 HB2 GLU 55 -10.638 -1.639 1.364 412 HB3 GLU 55 HB3 GLU 55 -12.190 -2.438 1.130 413 HG2 GLU 55 HG2 GLU 55 -11.631 -0.148 3.044 414 HG3 GLU 55 HG3 GLU 55 -12.426 -0.014 1.476 415 H GLU 56 H GLU 56 -8.682 -3.407 3.115 416 HA GLU 56 HA GLU 56 -8.484 -5.302 0.905 417 HB2 GLU 56 HB2 GLU 56 -6.871 -3.426 1.176 418 HB3 GLU 56 HB3 GLU 56 -6.376 -4.044 2.741 419 HG2 GLU 56 HG2 GLU 56 -5.958 -5.554 0.144 420 HG3 GLU 56 HG3 GLU 56 -4.784 -4.414 0.785 421 H ILE 57 H ILE 57 -8.411 -5.325 4.405 422 HA ILE 57 HA ILE 57 -7.086 -7.932 4.603 423 HB ILE 57 HB ILE 57 -8.072 -6.031 6.783 424 HG12 ILE 57 HG12 ILE 57 -5.259 -6.581 5.705 425 HG13 ILE 57 HG13 ILE 57 -6.182 -5.101 5.475 426 HG21 ILE 57 HG21 ILE 57 -8.078 -8.341 7.627 427 HG22 ILE 57 HG22 ILE 57 -6.771 -7.423 8.374 428 HG23 ILE 57 HG23 ILE 57 -6.414 -8.567 7.078 429 HD11 ILE 57 HD11 ILE 57 -6.029 -4.652 7.885 430 HD12 ILE 57 HD12 ILE 57 -4.444 -4.807 7.130 431 HD13 ILE 57 HD13 ILE 57 -5.091 -6.133 8.094 432 H LYS 58 H LYS 58 -8.099 -9.822 4.974 433 HA LYS 58 HA LYS 58 -10.852 -10.242 4.636 434 HB2 LYS 58 HB2 LYS 58 -9.020 -11.924 4.230 435 HB3 LYS 58 HB3 LYS 58 -8.859 -12.130 5.971 436 HG2 LYS 58 HG2 LYS 58 -11.215 -12.948 6.064 437 HG3 LYS 58 HG3 LYS 58 -11.318 -12.782 4.306 438 HD2 LYS 58 HD2 LYS 58 -9.475 -14.444 4.065 439 HD3 LYS 58 HD3 LYS 58 -9.418 -14.619 5.823 440 HE2 LYS 58 HE2 LYS 58 -11.751 -15.335 4.009 441 HE3 LYS 58 HE3 LYS 58 -10.677 -16.464 4.838 442 HZ1 LYS 58 HZ1 LYS 58 -12.720 -16.279 6.040 443 HZ2 LYS 58 HZ2 LYS 58 -12.608 -14.594 6.106 444 HZ3 LYS 58 HZ3 LYS 58 -11.502 -15.548 6.961 445 H ASP 59 H ASP 59 -8.911 -10.130 7.615 446 HA ASP 59 HA ASP 59 -10.956 -11.013 9.396 447 HB2 ASP 59 HB2 ASP 59 -8.462 -11.285 9.709 448 HB3 ASP 59 HB3 ASP 59 -8.356 -9.562 10.036 449 H ALA 60 H ALA 60 -10.583 -7.991 7.882 450 HA ALA 60 HA ALA 60 -10.834 -5.893 9.443 451 HB1 ALA 60 HB1 ALA 60 -12.285 -4.829 7.783 452 HB2 ALA 60 HB2 ALA 60 -12.751 -6.413 7.154 453 HB3 ALA 60 HB3 ALA 60 -11.086 -5.858 6.994 454 H GLY 61 H GLY 61 -13.982 -7.441 8.551 455 HA2 GLY 61 HA2 GLY 61 -15.915 -7.799 9.736 456 HA3 GLY 61 HA3 GLY 61 -14.923 -7.773 11.181 457 H ASP 62 H ASP 62 -15.166 -4.985 9.066 458 HA ASP 62 HA ASP 62 -15.844 -2.857 9.326 459 HB2 ASP 62 HB2 ASP 62 -18.050 -4.141 10.990 460 HB3 ASP 62 HB3 ASP 62 -18.042 -2.435 10.553 461 H LYS 63 H LYS 63 -14.135 -4.270 11.604 462 HA LYS 63 HA LYS 63 -14.392 -2.165 13.694 463 HB2 LYS 63 HB2 LYS 63 -13.487 -3.704 15.312 464 HB3 LYS 63 HB3 LYS 63 -14.739 -4.573 14.432 465 HG2 LYS 63 HG2 LYS 63 -12.980 -5.671 13.062 466 HG3 LYS 63 HG3 LYS 63 -11.741 -4.838 14.000 467 HD2 LYS 63 HD2 LYS 63 -12.567 -6.014 16.050 468 HD3 LYS 63 HD3 LYS 63 -13.737 -6.887 15.054 469 HE2 LYS 63 HE2 LYS 63 -10.706 -7.047 14.809 470 HE3 LYS 63 HE3 LYS 63 -11.758 -8.275 15.509 471 HZ1 LYS 63 HZ1 LYS 63 -12.742 -8.654 13.373 472 HZ2 LYS 63 HZ2 LYS 63 -11.062 -8.765 13.210 473 HZ3 LYS 63 HZ3 LYS 63 -11.872 -7.386 12.674 474 H THR 64 H THR 64 -12.288 -1.596 14.813 475 HA THR 64 HA THR 64 -10.148 -1.085 12.861 476 HB THR 64 HB THR 64 -10.414 -0.055 15.725 477 HG1 THR 64 HG1 THR 64 -11.873 1.191 14.835 478 HG21 THR 64 HG21 THR 64 -8.065 0.031 14.931 479 HG22 THR 64 HG22 THR 64 -8.743 1.657 15.033 480 HG23 THR 64 HG23 THR 64 -8.585 0.870 13.464 481 H LEU 65 H LEU 65 -8.445 -2.426 12.739 482 HA LEU 65 HA LEU 65 -7.950 -4.509 14.689 483 HB2 LEU 65 HB2 LEU 65 -6.379 -3.788 12.187 484 HB3 LEU 65 HB3 LEU 65 -6.244 -5.285 13.100 485 HG LEU 65 HG LEU 65 -8.782 -4.404 11.649 486 HD11 LEU 65 HD11 LEU 65 -6.691 -6.396 10.724 487 HD12 LEU 65 HD12 LEU 65 -7.005 -4.808 10.021 488 HD13 LEU 65 HD13 LEU 65 -8.235 -6.066 9.932 489 HD21 LEU 65 HD21 LEU 65 -9.533 -6.723 11.989 490 HD22 LEU 65 HD22 LEU 65 -9.220 -5.929 13.531 491 HD23 LEU 65 HD23 LEU 65 -8.054 -7.088 12.883 492 H GLN 66 H GLN 66 -6.448 -4.530 16.228 493 HA GLN 66 HA GLN 66 -5.017 -2.041 16.854 494 HB2 GLN 66 HB2 GLN 66 -5.411 -4.545 18.562 495 HB3 GLN 66 HB3 GLN 66 -4.816 -2.982 19.124 496 HG2 GLN 66 HG2 GLN 66 -7.607 -3.556 18.071 497 HG3 GLN 66 HG3 GLN 66 -7.161 -3.348 19.763 498 HE21 GLN 66 HE21 GLN 66 -9.032 -1.829 17.990 499 HE22 GLN 66 HE22 GLN 66 -8.535 -0.183 18.130 500 HA PRO 67 HA PRO 67 -0.809 -3.529 15.963 501 HB2 PRO 67 HB2 PRO 67 -0.161 -2.435 18.708 502 HB3 PRO 67 HB3 PRO 67 0.692 -2.204 17.172 503 HG2 PRO 67 HG2 PRO 67 -0.857 -0.261 18.102 504 HG3 PRO 67 HG3 PRO 67 -0.902 -0.664 16.371 505 HD2 PRO 67 HD2 PRO 67 -2.879 -1.388 18.537 506 HD3 PRO 67 HD3 PRO 67 -3.178 -0.876 16.859 507 H GLY 68 H GLY 68 -0.429 -5.620 16.039 508 HA2 GLY 68 HA2 GLY 68 0.600 -7.496 17.202 509 HA3 GLY 68 HA3 GLY 68 -0.441 -7.168 18.576 510 H ASP 69 H ASP 69 -2.675 -6.698 16.401 511 HA ASP 69 HA ASP 69 -3.951 -9.192 16.721 512 HB2 ASP 69 HB2 ASP 69 -4.546 -6.846 14.878 513 HB3 ASP 69 HB3 ASP 69 -5.582 -8.269 14.963 514 H GLN 70 H GLN 70 -4.001 -11.007 15.571 515 HA GLN 70 HA GLN 70 -2.280 -11.312 13.216 516 HB2 GLN 70 HB2 GLN 70 -2.287 -12.907 15.259 517 HB3 GLN 70 HB3 GLN 70 -3.827 -13.502 14.665 518 HG2 GLN 70 HG2 GLN 70 -2.228 -15.041 13.892 519 HG3 GLN 70 HG3 GLN 70 -2.625 -14.058 12.484 520 HE21 GLN 70 HE21 GLN 70 -0.226 -15.647 13.059 521 HE22 GLN 70 HE22 GLN 70 1.106 -14.563 12.936 522 H VAL 71 H VAL 71 -3.130 -11.281 11.200 523 HA VAL 71 HA VAL 71 -6.005 -11.709 10.710 524 HB VAL 71 HB VAL 71 -6.104 -9.670 9.319 525 HG11 VAL 71 HG11 VAL 71 -5.067 -9.039 12.114 526 HG12 VAL 71 HG12 VAL 71 -6.736 -9.418 11.683 527 HG13 VAL 71 HG13 VAL 71 -5.991 -7.934 11.090 528 HG21 VAL 71 HG21 VAL 71 -3.772 -9.530 8.549 529 HG22 VAL 71 HG22 VAL 71 -3.224 -9.138 10.179 530 HG23 VAL 71 HG23 VAL 71 -4.246 -8.000 9.294 531 H ILE 72 H ILE 72 -6.420 -11.667 8.224 532 HA ILE 72 HA ILE 72 -4.195 -12.884 6.656 533 HB ILE 72 HB ILE 72 -7.187 -13.491 6.388 534 HG12 ILE 72 HG12 ILE 72 -6.205 -14.588 8.381 535 HG13 ILE 72 HG13 ILE 72 -6.652 -15.776 7.165 536 HG21 ILE 72 HG21 ILE 72 -6.116 -13.574 4.182 537 HG22 ILE 72 HG22 ILE 72 -6.545 -15.203 4.705 538 HG23 ILE 72 HG23 ILE 72 -4.867 -14.661 4.797 539 HD11 ILE 72 HD11 ILE 72 -4.553 -16.358 8.210 540 HD12 ILE 72 HD12 ILE 72 -3.852 -14.805 7.765 541 HD13 ILE 72 HD13 ILE 72 -4.279 -15.974 6.511 542 H LEU 73 H LEU 73 -3.862 -12.083 4.567 543 HA LEU 73 HA LEU 73 -5.213 -9.563 3.823 544 HB2 LEU 73 HB2 LEU 73 -2.719 -10.842 2.625 545 HB3 LEU 73 HB3 LEU 73 -3.308 -9.210 2.320 546 HG LEU 73 HG LEU 73 -2.211 -10.238 4.974 547 HD11 LEU 73 HD11 LEU 73 -0.312 -8.739 4.565 548 HD12 LEU 73 HD12 LEU 73 -0.980 -8.302 2.989 549 HD13 LEU 73 HD13 LEU 73 -0.455 -9.958 3.300 550 HD21 LEU 73 HD21 LEU 73 -2.355 -7.897 5.760 551 HD22 LEU 73 HD22 LEU 73 -3.942 -8.560 5.391 552 HD23 LEU 73 HD23 LEU 73 -3.175 -7.442 4.262 553 H GLU 74 H GLU 74 -6.639 -9.440 2.144 554 HA GLU 74 HA GLU 74 -6.915 -11.719 0.260 555 HB2 GLU 74 HB2 GLU 74 -8.858 -9.517 1.025 556 HB3 GLU 74 HB3 GLU 74 -9.125 -10.538 -0.388 557 HG2 GLU 74 HG2 GLU 74 -8.966 -12.542 1.167 558 HG3 GLU 74 HG3 GLU 74 -8.994 -11.407 2.513 559 H ALA 75 H ALA 75 -5.134 -9.019 0.162 560 HA ALA 75 HA ALA 75 -5.237 -8.999 -2.817 561 HB1 ALA 75 HB1 ALA 75 -4.336 -6.691 -2.795 562 HB2 ALA 75 HB2 ALA 75 -4.440 -6.663 -1.030 563 HB3 ALA 75 HB3 ALA 75 -5.909 -6.777 -1.998 564 H SER 76 H SER 76 -3.082 -8.450 -3.783 565 HA SER 76 HA SER 76 -0.760 -9.282 -2.167 566 HB2 SER 76 HB2 SER 76 -1.552 -11.334 -3.282 567 HB3 SER 76 HB3 SER 76 -1.569 -10.517 -4.845 568 HG SER 76 HG SER 76 0.417 -11.119 -5.007 569 H HIS 77 H HIS 77 0.717 -7.650 -2.396 570 HA HIS 77 HA HIS 77 1.075 -6.247 -4.946 571 HB2 HIS 77 HB2 HIS 77 2.485 -5.816 -2.263 572 HB3 HIS 77 HB3 HIS 77 2.518 -4.731 -3.649 573 HD2 HIS 77 HD2 HIS 77 -0.960 -4.981 -3.927 574 HE1 HIS 77 HE1 HIS 77 -0.619 -2.831 -0.298 575 HE2 HIS 77 HE2 HIS 77 -2.192 -3.599 -2.119 576 H MET 78 H MET 78 2.151 -9.062 -3.529 577 HA MET 78 HA MET 78 4.384 -9.443 -5.326 578 HB2 MET 78 HB2 MET 78 6.064 -9.945 -3.561 579 HB3 MET 78 HB3 MET 78 5.545 -8.270 -3.488 580 HG2 MET 78 HG2 MET 78 4.083 -8.799 -1.571 581 HG3 MET 78 HG3 MET 78 4.607 -10.483 -1.647 582 HE1 MET 78 HE1 MET 78 7.308 -6.939 -0.395 583 HE2 MET 78 HE2 MET 78 5.578 -6.806 -0.712 584 HE3 MET 78 HE3 MET 78 6.700 -7.089 -2.045 585 H LYS 79 H LYS 79 4.937 -11.721 -5.513 586 HA LYS 79 HA LYS 79 2.768 -13.463 -5.363 587 HB2 LYS 79 HB2 LYS 79 5.731 -14.118 -5.611 588 HB3 LYS 79 HB3 LYS 79 4.453 -15.312 -5.833 589 HG2 LYS 79 HG2 LYS 79 3.552 -13.993 -7.721 590 HG3 LYS 79 HG3 LYS 79 4.846 -12.811 -7.515 591 HD2 LYS 79 HD2 LYS 79 5.239 -15.751 -8.226 592 HD3 LYS 79 HD3 LYS 79 5.295 -14.410 -9.374 593 HE2 LYS 79 HE2 LYS 79 7.190 -14.818 -7.029 594 HE3 LYS 79 HE3 LYS 79 7.561 -15.142 -8.723 595 HZ1 LYS 79 HZ1 LYS 79 7.266 -12.792 -9.203 596 HZ2 LYS 79 HZ2 LYS 79 8.439 -13.012 -8.009 597 HZ3 LYS 79 HZ3 LYS 79 6.895 -12.476 -7.584 598 H GLY 80 H GLY 80 1.836 -14.550 -3.745 599 HA2 GLY 80 HA2 GLY 80 1.858 -16.126 -1.959 600 HA3 GLY 80 HA3 GLY 80 3.407 -15.504 -1.426 601 H MET 81 H MET 81 1.942 -12.696 -1.900 602 HA MET 81 HA MET 81 1.589 -12.156 0.856 603 HB2 MET 81 HB2 MET 81 2.329 -10.425 -0.697 604 HB3 MET 81 HB3 MET 81 0.816 -10.508 -1.582 605 HG2 MET 81 HG2 MET 81 -0.390 -9.574 0.321 606 HG3 MET 81 HG3 MET 81 1.086 -9.592 1.292 607 HE1 MET 81 HE1 MET 81 0.673 -6.971 1.849 608 HE2 MET 81 HE2 MET 81 -0.779 -6.974 0.844 609 HE3 MET 81 HE3 MET 81 0.463 -5.745 0.598 610 H LYS 82 H LYS 82 -0.913 -12.436 -1.745 611 HA LYS 82 HA LYS 82 -3.134 -12.232 0.035 612 HB2 LYS 82 HB2 LYS 82 -3.384 -11.897 -2.416 613 HB3 LYS 82 HB3 LYS 82 -3.043 -13.604 -2.691 614 HG2 LYS 82 HG2 LYS 82 -5.089 -14.241 -1.495 615 HG3 LYS 82 HG3 LYS 82 -5.405 -12.553 -1.088 616 HD2 LYS 82 HD2 LYS 82 -5.712 -12.033 -3.492 617 HD3 LYS 82 HD3 LYS 82 -5.386 -13.720 -3.904 618 HE2 LYS 82 HE2 LYS 82 -7.397 -14.422 -2.658 619 HE3 LYS 82 HE3 LYS 82 -7.707 -12.751 -2.183 620 HZ1 LYS 82 HZ1 LYS 82 -9.096 -13.367 -4.021 621 HZ2 LYS 82 HZ2 LYS 82 -7.763 -13.833 -4.947 622 HZ3 LYS 82 HZ3 LYS 82 -7.980 -12.207 -4.543 623 H GLY 83 H GLY 83 -3.741 -13.651 1.556 624 HA2 GLY 83 HA2 GLY 83 -4.295 -15.715 2.509 625 HA3 GLY 83 HA3 GLY 83 -3.442 -16.552 1.222 626 H ALA 84 H ALA 84 -1.373 -14.161 2.304 627 HA ALA 84 HA ALA 84 0.195 -15.917 3.998 628 HB1 ALA 84 HB1 ALA 84 1.324 -14.351 2.477 629 HB2 ALA 84 HB2 ALA 84 1.764 -14.008 4.150 630 HB3 ALA 84 HB3 ALA 84 0.598 -12.978 3.312 631 H THR 85 H THR 85 0.586 -15.648 6.226 632 HA THR 85 HA THR 85 -1.606 -14.513 7.762 633 HB THR 85 HB THR 85 0.916 -15.775 8.938 634 HG1 THR 85 HG1 THR 85 -1.286 -16.978 7.651 635 HG21 THR 85 HG21 THR 85 -1.954 -15.638 9.963 636 HG22 THR 85 HG22 THR 85 -0.610 -14.654 10.554 637 HG23 THR 85 HG23 THR 85 -0.601 -16.403 10.791 638 H ALA 86 H ALA 86 -1.603 -12.428 8.424 639 HA ALA 86 HA ALA 86 0.926 -10.875 8.401 640 HB1 ALA 86 HB1 ALA 86 -0.466 -8.906 7.879 641 HB2 ALA 86 HB2 ALA 86 -1.916 -9.917 7.904 642 HB3 ALA 86 HB3 ALA 86 -0.674 -10.182 6.680 643 H GLU 87 H GLU 87 1.368 -9.493 10.075 644 HA GLU 87 HA GLU 87 -0.306 -9.558 12.512 645 HB2 GLU 87 HB2 GLU 87 1.784 -10.933 12.671 646 HB3 GLU 87 HB3 GLU 87 2.744 -9.512 12.275 647 HG2 GLU 87 HG2 GLU 87 2.034 -8.436 14.373 648 HG3 GLU 87 HG3 GLU 87 1.017 -9.835 14.749 649 H ILE 88 H ILE 88 -1.112 -7.573 12.931 650 HA ILE 88 HA ILE 88 -0.438 -5.205 11.547 651 HB ILE 88 HB ILE 88 -1.902 -5.378 14.226 652 HG12 ILE 88 HG12 ILE 88 -2.978 -6.860 12.521 653 HG13 ILE 88 HG13 ILE 88 -4.016 -5.525 13.001 654 HG21 ILE 88 HG21 ILE 88 -2.005 -3.202 12.092 655 HG22 ILE 88 HG22 ILE 88 -1.235 -3.077 13.674 656 HG23 ILE 88 HG23 ILE 88 -2.986 -3.248 13.561 657 HD11 ILE 88 HD11 ILE 88 -3.476 -4.363 10.906 658 HD12 ILE 88 HD12 ILE 88 -4.178 -5.955 10.627 659 HD13 ILE 88 HD13 ILE 88 -2.444 -5.715 10.432 660 H ASP 89 H ASP 89 1.477 -4.104 11.777 661 HA ASP 89 HA ASP 89 2.936 -3.970 14.285 662 HB2 ASP 89 HB2 ASP 89 3.440 -2.571 11.625 663 HB3 ASP 89 HB3 ASP 89 4.540 -2.554 13.001 664 H SER 90 H SER 90 0.812 -1.884 12.373 665 HA SER 90 HA SER 90 0.380 -0.055 14.582 666 HB2 SER 90 HB2 SER 90 2.469 0.888 13.586 667 HB3 SER 90 HB3 SER 90 1.661 1.032 12.026 668 HG SER 90 HG SER 90 1.491 2.634 14.266 669 H ALA 91 H ALA 91 -1.447 1.245 14.333 670 HA ALA 91 HA ALA 91 -3.106 0.923 11.888 671 HB1 ALA 91 HB1 ALA 91 -4.133 -0.191 13.842 672 HB2 ALA 91 HB2 ALA 91 -5.094 1.200 13.339 673 HB3 ALA 91 HB3 ALA 91 -4.054 1.315 14.761 674 H GLU 92 H GLU 92 -3.754 2.801 10.897 675 HA GLU 92 HA GLU 92 -3.285 5.431 12.140 676 HB2 GLU 92 HB2 GLU 92 -1.108 4.746 11.155 677 HB3 GLU 92 HB3 GLU 92 -1.872 4.506 9.595 678 HG2 GLU 92 HG2 GLU 92 -0.654 6.587 9.578 679 HG3 GLU 92 HG3 GLU 92 -2.381 6.932 9.479 680 H LYS 93 H LYS 93 -4.847 6.859 11.552 681 HA LYS 93 HA LYS 93 -6.568 6.304 9.222 682 HB2 LYS 93 HB2 LYS 93 -6.849 8.175 11.597 683 HB3 LYS 93 HB3 LYS 93 -7.827 8.411 10.158 684 HG2 LYS 93 HG2 LYS 93 -9.107 7.192 11.808 685 HG3 LYS 93 HG3 LYS 93 -8.783 6.142 10.427 686 HD2 LYS 93 HD2 LYS 93 -7.025 4.980 11.684 687 HD3 LYS 93 HD3 LYS 93 -7.225 6.091 13.044 688 HE2 LYS 93 HE2 LYS 93 -9.318 4.138 12.022 689 HE3 LYS 93 HE3 LYS 93 -8.342 3.940 13.478 690 HZ1 LYS 93 HZ1 LYS 93 -10.521 4.761 14.033 691 HZ2 LYS 93 HZ2 LYS 93 -10.348 6.080 12.994 692 HZ3 LYS 93 HZ3 LYS 93 -9.375 5.957 14.370 693 H THR 94 H THR 94 -5.412 6.854 7.456 694 HA THR 94 HA THR 94 -4.632 9.669 7.031 695 HB THR 94 HB THR 94 -2.512 8.666 7.573 696 HG1 THR 94 HG1 THR 94 -1.418 9.118 5.708 697 HG21 THR 94 HG21 THR 94 -3.093 6.279 7.342 698 HG22 THR 94 HG22 THR 94 -1.609 6.655 6.466 699 HG23 THR 94 HG23 THR 94 -3.123 6.445 5.583 700 H THR 95 H THR 95 -4.484 10.226 4.704 701 HA THR 95 HA THR 95 -6.652 8.919 3.223 702 HB THR 95 HB THR 95 -4.993 11.347 2.391 703 HG1 THR 95 HG1 THR 95 -6.441 11.480 4.344 704 HG21 THR 95 HG21 THR 95 -6.061 10.223 0.454 705 HG22 THR 95 HG22 THR 95 -6.830 11.777 0.775 706 HG23 THR 95 HG23 THR 95 -7.627 10.283 1.273 707 H VAL 96 H VAL 96 -6.312 7.377 1.697 708 HA VAL 96 HA VAL 96 -3.548 6.825 0.791 709 HB VAL 96 HB VAL 96 -4.403 4.455 0.315 710 HG11 VAL 96 HG11 VAL 96 -2.974 4.907 2.252 711 HG12 VAL 96 HG12 VAL 96 -4.182 3.684 2.658 712 HG13 VAL 96 HG13 VAL 96 -4.386 5.345 3.223 713 HG21 VAL 96 HG21 VAL 96 -6.753 5.323 2.052 714 HG22 VAL 96 HG22 VAL 96 -6.416 3.671 1.531 715 HG23 VAL 96 HG23 VAL 96 -6.830 4.901 0.340 716 H TYR 97 H TYR 97 -3.166 6.841 -1.321 717 HA TYR 97 HA TYR 97 -5.314 7.523 -3.213 718 HB2 TYR 97 HB2 TYR 97 -2.329 8.160 -3.362 719 HB3 TYR 97 HB3 TYR 97 -3.555 8.686 -4.513 720 HD1 TYR 97 HD2 TYR 97 -5.245 10.428 -3.839 721 HD2 TYR 97 HD1 TYR 97 -2.028 9.338 -1.242 722 HE1 TYR 97 HE2 TYR 97 -5.611 12.473 -2.525 723 HE2 TYR 97 HE1 TYR 97 -2.406 11.379 0.076 724 HH TYR 97 HH TYR 97 -3.368 13.574 -0.159 725 H MET 98 H MET 98 -5.685 6.197 -4.879 726 HA MET 98 HA MET 98 -3.758 4.135 -5.701 727 HB2 MET 98 HB2 MET 98 -6.171 3.541 -5.506 728 HB3 MET 98 HB3 MET 98 -6.570 4.756 -6.705 729 HG2 MET 98 HG2 MET 98 -5.210 3.509 -8.373 730 HG3 MET 98 HG3 MET 98 -4.922 2.265 -7.157 731 HE1 MET 98 HE1 MET 98 -9.091 3.217 -8.935 732 HE2 MET 98 HE2 MET 98 -7.610 4.039 -9.429 733 HE3 MET 98 HE3 MET 98 -8.274 4.306 -7.815 734 H VAL 99 H VAL 99 -2.340 4.560 -7.361 735 HA VAL 99 HA VAL 99 -2.728 7.025 -8.990 736 HB VAL 99 HB VAL 99 -0.265 7.471 -8.768 737 HG11 VAL 99 HG11 VAL 99 -1.789 7.446 -6.127 738 HG12 VAL 99 HG12 VAL 99 -1.841 8.716 -7.352 739 HG13 VAL 99 HG13 VAL 99 -0.347 8.409 -6.467 740 HG21 VAL 99 HG21 VAL 99 0.528 5.202 -8.199 741 HG22 VAL 99 HG22 VAL 99 -0.315 5.272 -6.651 742 HG23 VAL 99 HG23 VAL 99 1.043 6.356 -6.965 743 H ASP 100 H ASP 100 -1.217 7.167 -10.894 744 HA ASP 100 HA ASP 100 -0.291 4.576 -11.973 745 HB2 ASP 100 HB2 ASP 100 -1.263 4.952 -14.149 746 HB3 ASP 100 HB3 ASP 100 -2.541 5.106 -12.957 747 H TYR 101 H TYR 101 1.650 4.653 -13.028 748 HA TYR 101 HA TYR 101 2.990 7.206 -13.599 749 HB2 TYR 101 HB2 TYR 101 4.970 6.577 -12.202 750 HB3 TYR 101 HB3 TYR 101 3.526 6.809 -11.231 751 HD1 TYR 101 HD1 TYR 101 2.476 4.893 -10.055 752 HD2 TYR 101 HD2 TYR 101 5.979 4.307 -12.433 753 HE1 TYR 101 HE1 TYR 101 2.786 2.687 -9.053 754 HE2 TYR 101 HE2 TYR 101 6.287 2.089 -11.423 755 HH TYR 101 HH TYR 101 3.850 0.640 -9.390 756 H THR 102 H THR 102 5.305 6.718 -14.410 757 HA THR 102 HA THR 102 5.482 4.152 -15.907 758 HB THR 102 HB THR 102 6.701 6.834 -16.737 759 HG1 THR 102 HG1 THR 102 4.266 5.722 -17.210 760 HG21 THR 102 HG21 THR 102 6.699 4.157 -18.198 761 HG22 THR 102 HG22 THR 102 8.110 4.919 -17.454 762 HG23 THR 102 HG23 THR 102 7.318 5.675 -18.841 763 H SER 103 H SER 103 7.023 2.878 -15.046 764 HA SER 103 HA SER 103 8.722 3.599 -12.941 765 HB2 SER 103 HB2 SER 103 8.866 1.176 -14.782 766 HB3 SER 103 HB3 SER 103 9.756 1.340 -13.264 767 HG SER 103 HG SER 103 7.813 1.375 -12.159 768 H THR 104 H THR 104 10.800 4.266 -12.800 769 HA THR 104 HA THR 104 12.110 5.566 -14.942 770 HB THR 104 HB THR 104 13.979 5.903 -13.306 771 HG1 THR 104 HG1 THR 104 13.633 5.001 -11.161 772 HG21 THR 104 HG21 THR 104 11.226 6.320 -12.065 773 HG22 THR 104 HG22 THR 104 12.031 7.435 -13.172 774 HG23 THR 104 HG23 THR 104 12.714 7.133 -11.574 775 H THR 105 H THR 105 12.886 2.523 -13.225 776 HA THR 105 HA THR 105 15.247 1.923 -14.771 777 HB THR 105 HB THR 105 15.260 -0.252 -13.562 778 HG1 THR 105 HG1 THR 105 13.447 -1.022 -12.801 779 HG21 THR 105 HG21 THR 105 16.207 1.717 -12.396 780 HG22 THR 105 HG22 THR 105 15.460 0.603 -11.249 781 HG23 THR 105 HG23 THR 105 14.619 2.082 -11.714 782 H SER 106 H SER 106 11.976 0.491 -14.641 783 HA SER 106 HA SER 106 12.455 -1.451 -16.707 784 HB2 SER 106 HB2 SER 106 9.826 -0.549 -15.446 785 HB3 SER 106 HB3 SER 106 10.049 -1.999 -16.431 786 HG SER 106 HG SER 106 10.166 -2.563 -14.265 787 H GLY 107 H GLY 107 11.104 1.805 -16.684 788 HA2 GLY 107 HA2 GLY 107 10.355 3.204 -18.358 789 HA3 GLY 107 HA3 GLY 107 10.935 2.040 -19.537 790 H GLU 108 H GLU 108 8.766 0.731 -17.241 791 HA GLU 108 HA GLU 108 6.665 0.482 -19.293 792 HB2 GLU 108 HB2 GLU 108 7.647 -1.618 -18.383 793 HB3 GLU 108 HB3 GLU 108 7.119 -1.166 -16.769 794 HG2 GLU 108 HG2 GLU 108 5.623 -2.836 -17.725 795 HG3 GLU 108 HG3 GLU 108 4.765 -1.318 -17.474 796 H LYS 109 H LYS 109 4.564 1.081 -18.936 797 HA LYS 109 HA LYS 109 3.995 2.978 -16.809 798 HB2 LYS 109 HB2 LYS 109 1.761 3.204 -18.013 799 HB3 LYS 109 HB3 LYS 109 3.180 3.620 -18.967 800 HG2 LYS 109 HG2 LYS 109 3.063 1.539 -20.192 801 HG3 LYS 109 HG3 LYS 109 1.791 0.927 -19.134 802 HD2 LYS 109 HD2 LYS 109 0.252 2.680 -19.974 803 HD3 LYS 109 HD3 LYS 109 1.529 3.292 -21.032 804 HE2 LYS 109 HE2 LYS 109 -0.109 1.830 -22.218 805 HE3 LYS 109 HE3 LYS 109 1.541 1.215 -22.298 806 HZ1 LYS 109 HZ1 LYS 109 1.009 -0.323 -20.510 807 HZ2 LYS 109 HZ2 LYS 109 -0.020 -0.546 -21.831 808 HZ3 LYS 109 HZ3 LYS 109 -0.577 0.257 -20.452 809 H VAL 110 H VAL 110 3.316 2.318 -14.890 810 HA VAL 110 HA VAL 110 1.660 -0.123 -14.542 811 HB VAL 110 HB VAL 110 3.319 1.429 -12.496 812 HG11 VAL 110 HG11 VAL 110 1.328 0.532 -11.384 813 HG12 VAL 110 HG12 VAL 110 2.747 -0.388 -10.888 814 HG13 VAL 110 HG13 VAL 110 1.627 -1.070 -12.071 815 HG21 VAL 110 HG21 VAL 110 3.764 -1.349 -13.671 816 HG22 VAL 110 HG22 VAL 110 4.741 -0.607 -12.402 817 HG23 VAL 110 HG23 VAL 110 4.721 0.093 -14.023 818 H LYS 111 H LYS 111 -0.459 0.168 -14.125 819 HA LYS 111 HA LYS 111 -1.439 2.833 -13.247 820 HB2 LYS 111 HB2 LYS 111 -3.560 2.336 -14.414 821 HB3 LYS 111 HB3 LYS 111 -2.192 2.360 -15.519 822 HG2 LYS 111 HG2 LYS 111 -2.181 -0.038 -15.690 823 HG3 LYS 111 HG3 LYS 111 -3.349 -0.196 -14.380 824 HD2 LYS 111 HD2 LYS 111 -4.438 -0.589 -16.533 825 HD3 LYS 111 HD3 LYS 111 -5.087 0.863 -15.776 826 HE2 LYS 111 HE2 LYS 111 -2.877 1.103 -17.824 827 HE3 LYS 111 HE3 LYS 111 -4.540 0.854 -18.351 828 HZ1 LYS 111 HZ1 LYS 111 -5.171 2.860 -17.119 829 HZ2 LYS 111 HZ2 LYS 111 -4.009 3.186 -18.306 830 HZ3 LYS 111 HZ3 LYS 111 -3.555 3.109 -16.682 831 H ASN 112 H ASN 112 -3.391 2.863 -11.959 832 HA ASN 112 HA ASN 112 -4.643 2.371 -10.115 833 HB2 ASN 112 HB2 ASN 112 -4.604 -0.422 -11.345 834 HB3 ASN 112 HB3 ASN 112 -5.676 0.068 -10.036 835 HD21 ASN 112 HD21 ASN 112 -7.379 1.477 -10.483 836 HD22 ASN 112 HD22 ASN 112 -7.909 1.794 -12.093 837 H HIS 113 H HIS 113 -1.726 2.210 -9.792 838 HA HIS 113 HA HIS 113 -0.936 0.073 -8.124 839 HB2 HIS 113 HB2 HIS 113 0.694 1.509 -9.307 840 HB3 HIS 113 HB3 HIS 113 0.229 2.886 -8.307 841 HD2 HIS 113 HD2 HIS 113 1.457 3.020 -5.830 842 HE1 HIS 113 HE1 HIS 113 3.431 -0.710 -6.087 843 HE2 HIS 113 HE2 HIS 113 2.954 1.288 -4.617 844 H LYS 114 H LYS 114 -0.883 -0.191 -5.949 845 HA LYS 114 HA LYS 114 -1.865 1.793 -4.054 846 HB2 LYS 114 HB2 LYS 114 -3.771 0.288 -3.316 847 HB3 LYS 114 HB3 LYS 114 -3.990 1.035 -4.894 848 HG2 LYS 114 HG2 LYS 114 -3.469 -1.028 -6.024 849 HG3 LYS 114 HG3 LYS 114 -2.998 -1.807 -4.510 850 HD2 LYS 114 HD2 LYS 114 -5.216 -2.587 -5.151 851 HD3 LYS 114 HD3 LYS 114 -5.359 -1.590 -3.700 852 HE2 LYS 114 HE2 LYS 114 -7.158 -1.056 -5.261 853 HE3 LYS 114 HE3 LYS 114 -6.073 0.323 -5.118 854 HZ1 LYS 114 HZ1 LYS 114 -6.706 -0.082 -7.406 855 HZ2 LYS 114 HZ2 LYS 114 -6.076 -1.650 -7.336 856 HZ3 LYS 114 HZ3 LYS 114 -5.043 -0.321 -7.205 857 H TRP 115 H TRP 115 -0.575 -0.279 -1.367 858 HA TRP 115 HA TRP 115 -1.959 2.173 -2.296 859 HB2 TRP 115 HB2 TRP 115 -1.888 0.915 0.477 860 HB3 TRP 115 HB3 TRP 115 -2.577 2.498 0.144 861 HD1 TRP 115 HD1 TRP 115 -3.522 -1.119 0.224 862 HE1 TRP 115 HE1 TRP 115 -5.897 -1.418 -0.729 863 HE3 TRP 115 HE3 TRP 115 -4.176 3.525 -1.832 864 HZ2 TRP 115 HZ2 TRP 115 -7.780 0.096 -2.174 865 HZ3 TRP 115 HZ3 TRP 115 -6.290 4.019 -2.985 866 HH2 TRP 115 HH2 TRP 115 -8.058 2.334 -3.149 867 H VAL 116 H VAL 116 -1.242 4.139 -1.820 868 HA VAL 116 HA VAL 116 1.183 4.607 -0.183 869 HB VAL 116 HB VAL 116 1.912 6.404 -1.809 870 HG11 VAL 116 HG11 VAL 116 2.923 4.902 -3.510 871 HG12 VAL 116 HG12 VAL 116 1.832 3.606 -3.014 872 HG13 VAL 116 HG13 VAL 116 3.043 4.218 -1.886 873 HG21 VAL 116 HG21 VAL 116 -0.265 6.793 -2.936 874 HG22 VAL 116 HG22 VAL 116 -0.176 5.196 -3.679 875 HG23 VAL 116 HG23 VAL 116 1.000 6.437 -4.119 876 H THR 117 H THR 117 1.189 6.733 0.832 877 HA THR 117 HA THR 117 -1.381 8.240 0.713 878 HB THR 117 HB THR 117 -1.082 8.995 3.002 879 HG1 THR 117 HG1 THR 117 1.252 7.393 3.257 880 HG21 THR 117 HG21 THR 117 -2.202 6.828 2.773 881 HG22 THR 117 HG22 THR 117 -1.254 6.885 4.262 882 HG23 THR 117 HG23 THR 117 -0.649 6.004 2.861 883 H GLU 118 H GLU 118 -0.987 10.579 1.621 884 HA GLU 118 HA GLU 118 0.683 11.985 -0.183 885 HB2 GLU 118 HB2 GLU 118 -1.484 12.776 0.886 886 HB3 GLU 118 HB3 GLU 118 -0.585 13.056 2.371 887 HG2 GLU 118 HG2 GLU 118 0.785 14.752 1.266 888 HG3 GLU 118 HG3 GLU 118 0.012 14.411 -0.280 889 H ASP 119 H ASP 119 1.422 10.509 2.847 890 HA ASP 119 HA ASP 119 3.649 12.153 3.614 891 HB2 ASP 119 HB2 ASP 119 2.360 10.661 5.192 892 HB3 ASP 119 HB3 ASP 119 3.087 9.262 4.407 893 H GLU 120 H GLU 120 3.266 9.239 1.593 894 HA GLU 120 HA GLU 120 6.153 9.163 0.969 895 HB2 GLU 120 HB2 GLU 120 3.939 7.293 0.015 896 HB3 GLU 120 HB3 GLU 120 5.657 7.104 -0.315 897 HG2 GLU 120 HG2 GLU 120 5.290 5.585 1.407 898 HG3 GLU 120 HG3 GLU 120 5.956 6.976 2.248 899 H LEU 121 H LEU 121 3.483 10.834 -0.169 900 HA LEU 121 HA LEU 121 4.444 10.881 -2.968 901 HB2 LEU 121 HB2 LEU 121 1.713 11.558 -1.822 902 HB3 LEU 121 HB3 LEU 121 2.186 11.971 -3.466 903 HG LEU 121 HG LEU 121 1.907 9.156 -2.327 904 HD11 LEU 121 HD11 LEU 121 0.243 10.609 -4.412 905 HD12 LEU 121 HD12 LEU 121 -0.244 10.246 -2.754 906 HD13 LEU 121 HD13 LEU 121 0.029 8.933 -3.894 907 HD21 LEU 121 HD21 LEU 121 2.732 9.991 -5.135 908 HD22 LEU 121 HD22 LEU 121 2.364 8.342 -4.618 909 HD23 LEU 121 HD23 LEU 121 3.751 9.187 -3.937 910 H SER 122 H SER 122 5.277 12.638 -3.713 911 HA SER 122 HA SER 122 5.210 15.244 -2.346 912 HB2 SER 122 HB2 SER 122 7.453 14.448 -2.947 913 HB3 SER 122 HB3 SER 122 6.948 14.123 -4.602 914 HG SER 122 HG SER 122 7.209 16.159 -5.076 915 H ALA 123 H ALA 123 4.665 17.143 -3.651 916 HA ALA 123 HA ALA 123 2.911 16.566 -5.989 917 HB1 ALA 123 HB1 ALA 123 2.949 18.996 -4.160 918 HB2 ALA 123 HB2 ALA 123 1.783 17.671 -4.105 919 HB3 ALA 123 HB3 ALA 123 1.842 18.731 -5.513 920 H LYS 124 H LYS 124 3.005 18.103 -7.791 921 HA LYS 124 HA LYS 124 5.633 19.455 -8.090 922 HB2 LYS 124 HB2 LYS 124 5.005 17.509 -9.671 923 HB3 LYS 124 HB3 LYS 124 3.832 18.606 -10.380 924 HG2 LYS 124 HG2 LYS 124 5.633 18.841 -11.830 925 HG3 LYS 124 HG3 LYS 124 5.898 20.198 -10.739 926 HD2 LYS 124 HD2 LYS 124 7.291 17.500 -10.442 927 HD3 LYS 124 HD3 LYS 124 7.970 18.839 -11.362 928 HE2 LYS 124 HE2 LYS 124 8.088 20.201 -9.319 929 HE3 LYS 124 HE3 LYS 124 7.329 18.913 -8.389 930 HZ1 LYS 124 HZ1 LYS 124 9.692 18.905 -8.070 931 HZ2 LYS 124 HZ2 LYS 124 9.963 18.776 -9.732 932 HZ3 LYS 124 HZ3 LYS 124 9.230 17.505 -8.897 933 H LEU 125 H LEU 125 5.590 21.468 -9.459 934 HA LEU 125 HA LEU 125 5.047 23.647 -9.668 935 HB2 LEU 125 HB2 LEU 125 2.238 22.531 -9.672 936 HB3 LEU 125 HB3 LEU 125 2.479 24.264 -9.618 937 HG LEU 125 HG LEU 125 3.644 24.215 -11.787 938 HD11 LEU 125 HD11 LEU 125 4.685 22.008 -11.706 939 HD12 LEU 125 HD12 LEU 125 3.744 22.205 -13.182 940 HD13 LEU 125 HD13 LEU 125 3.103 21.236 -11.852 941 HD21 LEU 125 HD21 LEU 125 1.719 23.697 -13.212 942 HD22 LEU 125 HD22 LEU 125 1.203 24.541 -11.754 943 HD23 LEU 125 HD23 LEU 125 0.960 22.797 -11.897 944 H GLU 126 H GLU 126 5.048 22.123 -6.920 945 HA GLU 126 HA GLU 126 3.902 24.067 -5.092 946 HB2 GLU 126 HB2 GLU 126 4.934 22.667 -3.318 947 HB3 GLU 126 HB3 GLU 126 3.942 21.718 -4.419 948 HG2 GLU 126 HG2 GLU 126 5.798 20.670 -5.424 949 HG3 GLU 126 HG3 GLU 126 6.923 21.906 -4.861 950 H HIS 127 H HIS 127 5.345 24.973 -3.323 951 HA HIS 127 HA HIS 127 8.077 25.675 -4.240 952 HB2 HIS 127 HB2 HIS 127 5.979 27.613 -3.176 953 HB3 HIS 127 HB3 HIS 127 7.685 28.019 -3.337 954 HD1 HIS 127 HD1 HIS 127 4.676 27.141 -5.448 955 HD2 HIS 127 HD2 HIS 127 8.482 28.743 -5.904 956 HE1 HIS 127 HE1 HIS 127 4.779 27.934 -7.818 957 HE2 HIS 127 HE2 HIS 127 7.006 29.076 -8.009 958 H HIS 128 H HIS 128 6.430 24.108 -1.840 959 HA HIS 128 HA HIS 128 8.051 25.058 0.397 960 HB2 HIS 128 HB2 HIS 128 6.906 23.236 1.714 961 HB3 HIS 128 HB3 HIS 128 5.844 24.454 1.045 962 HD1 HIS 128 HD1 HIS 128 3.905 23.645 -0.322 963 HD2 HIS 128 HD2 HIS 128 6.691 20.642 0.366 964 HE1 HIS 128 HE1 HIS 128 2.820 21.523 -1.103 965 HE2 HIS 128 HE2 HIS 128 4.632 19.797 -0.952 966 H HIS 129 H HIS 129 10.035 24.680 -0.766 967 HA HIS 129 HA HIS 129 10.949 21.939 -1.187 968 HB2 HIS 129 HB2 HIS 129 12.973 23.017 -2.163 969 HB3 HIS 129 HB3 HIS 129 11.482 23.567 -2.911 970 HD1 HIS 129 HD1 HIS 129 10.784 26.047 -2.517 971 HD2 HIS 129 HD2 HIS 129 14.442 25.023 -0.823 972 HE1 HIS 129 HE1 HIS 129 11.859 28.221 -1.875 973 HE2 HIS 129 HE2 HIS 129 14.087 27.591 -0.902 974 H HIS 130 H HIS 130 10.746 23.700 1.565 975 HA HIS 130 HA HIS 130 13.297 23.228 2.769 976 HB2 HIS 130 HB2 HIS 130 12.107 23.641 4.949 977 HB3 HIS 130 HB3 HIS 130 11.886 24.907 3.758 978 HD1 HIS 130 HD1 HIS 130 9.513 25.542 3.179 979 HD2 HIS 130 HD2 HIS 130 9.721 22.009 5.360 980 HE1 HIS 130 HE1 HIS 130 7.147 24.995 3.807 981 HE2 HIS 130 HE2 HIS 130 7.281 22.782 4.987 982 H HIS 131 H HIS 131 14.164 21.433 3.628 983 HA HIS 131 HA HIS 131 14.566 19.263 4.169 984 HB2 HIS 131 HB2 HIS 131 12.792 19.787 5.930 985 HB3 HIS 131 HB3 HIS 131 11.605 19.036 4.880 986 HD1 HIS 131 HD1 HIS 131 11.831 16.388 4.566 987 HD2 HIS 131 HD2 HIS 131 14.293 18.040 7.485 988 HE1 HIS 131 HE1 HIS 131 12.579 14.459 5.981 989 HE2 HIS 131 HE2 HIS 131 14.209 15.455 7.607 990 H HIS 132 H HIS 132 13.300 20.077 1.416 991 HA HIS 132 HA HIS 132 12.320 17.433 0.512 992 HB2 HIS 132 HB2 HIS 132 10.455 19.070 1.210 993 HB3 HIS 132 HB3 HIS 132 10.916 20.046 -0.179 994 HD1 HIS 132 HD1 HIS 132 8.394 19.576 -0.945 995 HD2 HIS 132 HD2 HIS 132 10.907 16.267 -0.914 996 HE1 HIS 132 HE1 HIS 132 7.170 17.788 -2.197 997 HE2 HIS 132 HE2 HIS 132 8.786 15.876 -2.325 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -4.160 16.549 -1.373 2 H2 MET 1 H2 MET 1 -2.551 16.611 -1.879 3 H3 MET 1 H3 MET 1 -3.381 15.138 -1.874 4 HA MET 1 HA MET 1 -4.064 17.479 -3.555 5 HB2 MET 1 HB2 MET 1 -3.210 16.091 -5.477 6 HB3 MET 1 HB3 MET 1 -1.960 16.589 -4.347 7 HG2 MET 1 HG2 MET 1 -3.246 13.851 -4.311 8 HG3 MET 1 HG3 MET 1 -1.761 14.231 -5.175 9 HE1 MET 1 HE1 MET 1 0.745 15.015 -2.263 10 HE2 MET 1 HE2 MET 1 -0.213 16.217 -3.126 11 HE3 MET 1 HE3 MET 1 0.528 14.880 -4.008 12 H LYS 2 H LYS 2 -5.340 16.535 -5.588 13 HA LYS 2 HA LYS 2 -7.447 14.658 -4.653 14 HB2 LYS 2 HB2 LYS 2 -7.714 17.227 -6.256 15 HB3 LYS 2 HB3 LYS 2 -8.973 15.994 -6.290 16 HG2 LYS 2 HG2 LYS 2 -7.988 17.435 -3.799 17 HG3 LYS 2 HG3 LYS 2 -9.476 17.802 -4.683 18 HD2 LYS 2 HD2 LYS 2 -10.307 15.497 -4.175 19 HD3 LYS 2 HD3 LYS 2 -8.835 15.183 -3.249 20 HE2 LYS 2 HE2 LYS 2 -9.445 16.981 -1.668 21 HE3 LYS 2 HE3 LYS 2 -10.900 17.323 -2.609 22 HZ1 LYS 2 HZ1 LYS 2 -11.403 15.965 -0.703 23 HZ2 LYS 2 HZ2 LYS 2 -10.295 14.784 -1.190 24 HZ3 LYS 2 HZ3 LYS 2 -11.679 15.077 -2.115 25 H VAL 3 H VAL 3 -8.803 13.841 -6.582 26 HA VAL 3 HA VAL 3 -7.163 12.196 -8.216 27 HB VAL 3 HB VAL 3 -10.167 12.681 -8.486 28 HG11 VAL 3 HG11 VAL 3 -10.240 10.413 -9.495 29 HG12 VAL 3 HG12 VAL 3 -8.479 10.317 -9.402 30 HG13 VAL 3 HG13 VAL 3 -9.242 11.516 -10.447 31 HG21 VAL 3 HG21 VAL 3 -8.723 10.606 -6.785 32 HG22 VAL 3 HG22 VAL 3 -10.471 10.712 -7.014 33 HG23 VAL 3 HG23 VAL 3 -9.612 12.007 -6.179 34 H GLY 4 H GLY 4 -6.630 12.315 -10.334 35 HA2 GLY 4 HA2 GLY 4 -6.536 13.095 -12.550 36 HA3 GLY 4 HA3 GLY 4 -7.550 14.458 -12.110 37 H SER 5 H SER 5 -5.378 14.567 -9.720 38 HA SER 5 HA SER 5 -3.751 16.624 -10.981 39 HB2 SER 5 HB2 SER 5 -4.638 17.002 -8.714 40 HB3 SER 5 HB3 SER 5 -3.758 15.599 -8.109 41 HG SER 5 HG SER 5 -2.492 17.814 -9.362 42 H GLN 6 H GLN 6 -1.513 16.600 -11.224 43 HA GLN 6 HA GLN 6 -0.282 13.950 -11.541 44 HB2 GLN 6 HB2 GLN 6 0.537 16.688 -12.607 45 HB3 GLN 6 HB3 GLN 6 1.534 15.253 -12.785 46 HG2 GLN 6 HG2 GLN 6 0.472 15.306 -14.835 47 HG3 GLN 6 HG3 GLN 6 -0.590 14.224 -13.945 48 HE21 GLN 6 HE21 GLN 6 -1.162 15.811 -16.305 49 HE22 GLN 6 HE22 GLN 6 -2.486 16.844 -15.902 50 H VAL 7 H VAL 7 1.151 13.189 -10.120 51 HA VAL 7 HA VAL 7 2.473 15.014 -8.185 52 HB VAL 7 HB VAL 7 2.274 13.246 -6.445 53 HG11 VAL 7 HG11 VAL 7 0.566 15.013 -6.528 54 HG12 VAL 7 HG12 VAL 7 -0.141 13.494 -5.978 55 HG13 VAL 7 HG13 VAL 7 -0.412 14.043 -7.634 56 HG21 VAL 7 HG21 VAL 7 2.145 11.233 -7.882 57 HG22 VAL 7 HG22 VAL 7 0.552 11.726 -8.458 58 HG23 VAL 7 HG23 VAL 7 0.780 11.285 -6.764 59 H ILE 8 H ILE 8 4.504 14.419 -7.432 60 HA ILE 8 HA ILE 8 6.058 12.439 -8.980 61 HB ILE 8 HB ILE 8 7.127 14.651 -7.144 62 HG12 ILE 8 HG12 ILE 8 5.911 15.701 -9.047 63 HG13 ILE 8 HG13 ILE 8 7.643 15.971 -9.187 64 HG21 ILE 8 HG21 ILE 8 8.722 12.807 -7.484 65 HG22 ILE 8 HG22 ILE 8 9.290 14.267 -8.293 66 HG23 ILE 8 HG23 ILE 8 8.569 12.960 -9.237 67 HD11 ILE 8 HD11 ILE 8 6.022 13.967 -10.760 68 HD12 ILE 8 HD12 ILE 8 7.768 14.200 -10.893 69 HD13 ILE 8 HD13 ILE 8 6.668 15.501 -11.343 70 H ILE 9 H ILE 9 6.684 10.583 -7.933 71 HA ILE 9 HA ILE 9 5.598 10.079 -5.291 72 HB ILE 9 HB ILE 9 7.154 8.220 -7.145 73 HG12 ILE 9 HG12 ILE 9 4.139 8.513 -6.689 74 HG13 ILE 9 HG13 ILE 9 5.011 9.020 -8.132 75 HG21 ILE 9 HG21 ILE 9 7.286 7.439 -4.806 76 HG22 ILE 9 HG22 ILE 9 6.265 6.365 -5.759 77 HG23 ILE 9 HG23 ILE 9 5.528 7.531 -4.657 78 HD11 ILE 9 HD11 ILE 9 5.552 6.681 -8.614 79 HD12 ILE 9 HD12 ILE 9 3.815 6.955 -8.503 80 HD13 ILE 9 HD13 ILE 9 4.668 6.184 -7.169 81 H ASN 10 H ASN 10 6.665 10.171 -3.411 82 HA ASN 10 HA ASN 10 9.499 10.883 -3.331 83 HB2 ASN 10 HB2 ASN 10 7.910 12.269 -2.047 84 HB3 ASN 10 HB3 ASN 10 7.333 10.854 -1.179 85 HD21 ASN 10 HD21 ASN 10 7.852 11.634 0.841 86 HD22 ASN 10 HD22 ASN 10 9.475 11.848 1.384 87 H THR 11 H THR 11 7.430 8.733 -1.360 88 HA THR 11 HA THR 11 9.721 6.954 -0.795 89 HB THR 11 HB THR 11 7.010 7.214 0.575 90 HG1 THR 11 HG1 THR 11 8.126 8.338 2.136 91 HG21 THR 11 HG21 THR 11 9.429 5.591 1.432 92 HG22 THR 11 HG22 THR 11 7.899 4.931 0.852 93 HG23 THR 11 HG23 THR 11 7.951 5.821 2.374 94 H SER 12 H SER 12 9.536 4.652 -1.098 95 HA SER 12 HA SER 12 7.309 3.513 -2.569 96 HB2 SER 12 HB2 SER 12 8.484 3.123 -4.674 97 HB3 SER 12 HB3 SER 12 8.542 4.850 -4.328 98 HG SER 12 HG SER 12 10.582 2.984 -4.400 99 H HIS 13 H HIS 13 7.408 1.266 -2.775 100 HA HIS 13 HA HIS 13 9.516 -0.229 -1.416 101 HB2 HIS 13 HB2 HIS 13 6.962 -1.102 -2.840 102 HB3 HIS 13 HB3 HIS 13 8.100 -2.240 -2.119 103 HD2 HIS 13 HD2 HIS 13 6.281 0.988 -0.635 104 HE1 HIS 13 HE1 HIS 13 6.048 -2.246 2.084 105 HE2 HIS 13 HE2 HIS 13 5.412 0.164 1.663 106 H MET 14 H MET 14 8.366 0.325 -4.728 107 HA MET 14 HA MET 14 10.367 -1.378 -5.966 108 HB2 MET 14 HB2 MET 14 8.468 0.633 -7.250 109 HB3 MET 14 HB3 MET 14 9.418 -0.573 -8.108 110 HG2 MET 14 HG2 MET 14 7.129 -1.306 -7.985 111 HG3 MET 14 HG3 MET 14 8.102 -2.353 -6.952 112 HE1 MET 14 HE1 MET 14 4.578 -2.065 -5.107 113 HE2 MET 14 HE2 MET 14 5.739 -3.195 -5.811 114 HE3 MET 14 HE3 MET 14 4.853 -2.075 -6.848 115 H LYS 15 H LYS 15 12.371 -0.738 -6.658 116 HA LYS 15 HA LYS 15 13.505 1.683 -5.770 117 HB2 LYS 15 HB2 LYS 15 15.563 0.930 -7.064 118 HB3 LYS 15 HB3 LYS 15 14.930 -0.199 -5.886 119 HG2 LYS 15 HG2 LYS 15 15.431 -1.624 -7.639 120 HG3 LYS 15 HG3 LYS 15 13.724 -1.316 -7.925 121 HD2 LYS 15 HD2 LYS 15 14.878 -1.233 -10.046 122 HD3 LYS 15 HD3 LYS 15 14.376 0.409 -9.642 123 HE2 LYS 15 HE2 LYS 15 16.666 0.935 -8.888 124 HE3 LYS 15 HE3 LYS 15 17.174 -0.719 -9.236 125 HZ1 LYS 15 HZ1 LYS 15 16.568 -0.298 -11.589 126 HZ2 LYS 15 HZ2 LYS 15 17.829 0.681 -11.028 127 HZ3 LYS 15 HZ3 LYS 15 16.277 1.325 -11.195 128 H GLY 16 H GLY 16 12.146 0.907 -8.927 129 HA2 GLY 16 HA2 GLY 16 13.092 3.372 -10.201 130 HA3 GLY 16 HA3 GLY 16 12.091 2.130 -10.929 131 H MET 17 H MET 17 10.508 2.600 -8.178 132 HA MET 17 HA MET 17 8.529 4.401 -9.373 133 HB2 MET 17 HB2 MET 17 7.750 2.322 -8.241 134 HB3 MET 17 HB3 MET 17 8.406 2.900 -6.715 135 HG2 MET 17 HG2 MET 17 6.784 4.657 -6.592 136 HG3 MET 17 HG3 MET 17 6.272 4.393 -8.255 137 HE1 MET 17 HE1 MET 17 5.994 3.150 -4.526 138 HE2 MET 17 HE2 MET 17 6.856 1.798 -5.261 139 HE3 MET 17 HE3 MET 17 5.188 1.594 -4.726 140 H LYS 18 H LYS 18 10.945 4.443 -6.805 141 HA LYS 18 HA LYS 18 10.231 6.925 -5.610 142 HB2 LYS 18 HB2 LYS 18 11.749 5.317 -4.508 143 HB3 LYS 18 HB3 LYS 18 12.955 5.559 -5.763 144 HG2 LYS 18 HG2 LYS 18 13.446 7.754 -5.026 145 HG3 LYS 18 HG3 LYS 18 11.988 7.853 -4.043 146 HD2 LYS 18 HD2 LYS 18 14.265 5.923 -3.436 147 HD3 LYS 18 HD3 LYS 18 14.198 7.562 -2.789 148 HE2 LYS 18 HE2 LYS 18 13.348 6.132 -1.075 149 HE3 LYS 18 HE3 LYS 18 11.948 6.950 -1.760 150 HZ1 LYS 18 HZ1 LYS 18 12.811 4.194 -2.433 151 HZ2 LYS 18 HZ2 LYS 18 11.423 4.971 -2.996 152 HZ3 LYS 18 HZ3 LYS 18 11.575 4.595 -1.356 153 H GLY 19 H GLY 19 10.280 8.887 -6.504 154 HA2 GLY 19 HA2 GLY 19 11.114 10.764 -7.598 155 HA3 GLY 19 HA3 GLY 19 12.417 9.800 -8.274 156 H ALA 20 H ALA 20 9.529 8.175 -8.817 157 HA ALA 20 HA ALA 20 9.565 8.785 -11.652 158 HB1 ALA 20 HB1 ALA 20 7.747 6.911 -10.102 159 HB2 ALA 20 HB2 ALA 20 9.262 6.469 -10.891 160 HB3 ALA 20 HB3 ALA 20 7.889 7.002 -11.862 161 H GLU 21 H GLU 21 7.794 9.497 -12.884 162 HA GLU 21 HA GLU 21 6.115 11.539 -11.649 163 HB2 GLU 21 HB2 GLU 21 6.506 10.714 -14.560 164 HB3 GLU 21 HB3 GLU 21 5.567 12.109 -14.029 165 HG2 GLU 21 HG2 GLU 21 7.499 13.268 -13.271 166 HG3 GLU 21 HG3 GLU 21 8.498 11.817 -13.319 167 H ALA 22 H ALA 22 3.946 11.390 -11.365 168 HA ALA 22 HA ALA 22 2.425 9.064 -12.336 169 HB1 ALA 22 HB1 ALA 22 3.371 8.418 -10.141 170 HB2 ALA 22 HB2 ALA 22 1.613 8.552 -10.069 171 HB3 ALA 22 HB3 ALA 22 2.626 9.835 -9.398 172 H THR 23 H THR 23 0.100 9.233 -11.681 173 HA THR 23 HA THR 23 -0.938 11.946 -11.099 174 HB THR 23 HB THR 23 -2.064 10.054 -13.244 175 HG1 THR 23 HG1 THR 23 -0.103 11.746 -13.498 176 HG21 THR 23 HG21 THR 23 -3.651 11.882 -13.774 177 HG22 THR 23 HG22 THR 23 -3.023 12.834 -12.427 178 HG23 THR 23 HG23 THR 23 -3.871 11.319 -12.115 179 H VAL 24 H VAL 24 -2.853 11.891 -9.817 180 HA VAL 24 HA VAL 24 -3.304 9.479 -8.273 181 HB VAL 24 HB VAL 24 -4.683 12.199 -8.126 182 HG11 VAL 24 HG11 VAL 24 -5.466 11.497 -5.879 183 HG12 VAL 24 HG12 VAL 24 -4.787 9.888 -6.142 184 HG13 VAL 24 HG13 VAL 24 -6.121 10.459 -7.147 185 HG21 VAL 24 HG21 VAL 24 -2.274 12.345 -7.626 186 HG22 VAL 24 HG22 VAL 24 -2.428 11.063 -6.420 187 HG23 VAL 24 HG23 VAL 24 -3.232 12.614 -6.168 188 H THR 25 H THR 25 -4.667 7.904 -8.971 189 HA THR 25 HA THR 25 -6.925 8.485 -10.752 190 HB THR 25 HB THR 25 -7.148 5.975 -10.890 191 HG1 THR 25 HG1 THR 25 -5.093 4.891 -10.100 192 HG21 THR 25 HG21 THR 25 -5.842 7.180 -12.592 193 HG22 THR 25 HG22 THR 25 -5.134 5.597 -12.260 194 HG23 THR 25 HG23 THR 25 -4.395 7.052 -11.586 195 H GLY 26 H GLY 26 -6.294 7.876 -7.369 196 HA2 GLY 26 HA2 GLY 26 -9.135 8.121 -6.758 197 HA3 GLY 26 HA3 GLY 26 -8.403 6.590 -6.288 198 H ALA 27 H ALA 27 -9.535 8.862 -4.666 199 HA ALA 27 HA ALA 27 -7.241 9.269 -2.829 200 HB1 ALA 27 HB1 ALA 27 -7.564 11.355 -4.108 201 HB2 ALA 27 HB2 ALA 27 -7.977 11.587 -2.407 202 HB3 ALA 27 HB3 ALA 27 -9.256 11.413 -3.610 203 H TYR 28 H TYR 28 -7.703 8.443 -0.889 204 HA TYR 28 HA TYR 28 -10.485 8.345 0.161 205 HB2 TYR 28 HB2 TYR 28 -8.376 6.130 0.316 206 HB3 TYR 28 HB3 TYR 28 -9.934 6.092 1.129 207 HD1 TYR 28 HD1 TYR 28 -8.351 6.127 -2.272 208 HD2 TYR 28 HD2 TYR 28 -11.861 5.217 -0.004 209 HE1 TYR 28 HE1 TYR 28 -9.333 5.008 -4.231 210 HE2 TYR 28 HE2 TYR 28 -12.833 4.098 -1.962 211 HH TYR 28 HH TYR 28 -11.039 3.294 -4.729 212 H ASP 29 H ASP 29 -10.662 8.678 2.411 213 HA ASP 29 HA ASP 29 -8.160 8.721 4.022 214 HB2 ASP 29 HB2 ASP 29 -9.124 10.478 5.496 215 HB3 ASP 29 HB3 ASP 29 -8.859 11.033 3.852 216 H THR 30 H THR 30 -8.286 6.689 4.744 217 HA THR 30 HA THR 30 -10.541 5.875 6.489 218 HB THR 30 HB THR 30 -11.015 4.856 4.320 219 HG1 THR 30 HG1 THR 30 -11.263 2.796 5.035 220 HG21 THR 30 HG21 THR 30 -8.238 3.628 4.443 221 HG22 THR 30 HG22 THR 30 -8.760 4.891 3.324 222 HG23 THR 30 HG23 THR 30 -9.467 3.277 3.227 223 H THR 31 H THR 31 -9.875 3.648 7.601 224 HA THR 31 HA THR 31 -7.404 4.065 9.011 225 HB THR 31 HB THR 31 -9.153 1.565 9.142 226 HG1 THR 31 HG1 THR 31 -10.329 3.482 9.683 227 HG21 THR 31 HG21 THR 31 -6.910 1.268 10.155 228 HG22 THR 31 HG22 THR 31 -8.158 1.301 11.402 229 HG23 THR 31 HG23 THR 31 -7.147 2.722 11.129 230 H ALA 32 H ALA 32 -5.542 3.649 8.129 231 HA ALA 32 HA ALA 32 -5.045 1.490 6.198 232 HB1 ALA 32 HB1 ALA 32 -3.379 3.948 6.879 233 HB2 ALA 32 HB2 ALA 32 -4.465 3.797 5.490 234 HB3 ALA 32 HB3 ALA 32 -3.031 2.774 5.600 235 H TYR 33 H TYR 33 -2.875 0.394 6.476 236 HA TYR 33 HA TYR 33 -2.093 -0.030 9.290 237 HB2 TYR 33 HB2 TYR 33 -2.887 -2.320 7.426 238 HB3 TYR 33 HB3 TYR 33 -2.326 -2.478 9.086 239 HD1 TYR 33 HD1 TYR 33 -3.810 -1.377 10.941 240 HD2 TYR 33 HD2 TYR 33 -5.226 -2.188 6.991 241 HE1 TYR 33 HE1 TYR 33 -6.128 -1.256 11.743 242 HE2 TYR 33 HE2 TYR 33 -7.543 -2.070 7.800 243 HH TYR 33 HH TYR 33 -8.398 -0.777 10.773 244 H VAL 34 H VAL 34 -0.023 -0.596 9.585 245 HA VAL 34 HA VAL 34 1.755 -1.290 7.317 246 HB VAL 34 HB VAL 34 2.478 -0.733 10.253 247 HG11 VAL 34 HG11 VAL 34 4.286 -1.057 7.818 248 HG12 VAL 34 HG12 VAL 34 4.133 -2.193 9.164 249 HG13 VAL 34 HG13 VAL 34 4.825 -0.595 9.436 250 HG21 VAL 34 HG21 VAL 34 2.762 1.126 7.855 251 HG22 VAL 34 HG22 VAL 34 3.351 1.453 9.486 252 HG23 VAL 34 HG23 VAL 34 1.619 1.317 9.188 253 H VAL 35 H VAL 35 1.709 -3.511 6.918 254 HA VAL 35 HA VAL 35 1.370 -5.358 9.234 255 HB VAL 35 HB VAL 35 0.506 -7.050 7.585 256 HG11 VAL 35 HG11 VAL 35 -1.079 -5.723 8.914 257 HG12 VAL 35 HG12 VAL 35 -1.739 -6.041 7.309 258 HG13 VAL 35 HG13 VAL 35 -1.075 -4.449 7.689 259 HG21 VAL 35 HG21 VAL 35 1.539 -6.188 5.513 260 HG22 VAL 35 HG22 VAL 35 0.540 -4.736 5.594 261 HG23 VAL 35 HG23 VAL 35 -0.213 -6.309 5.320 262 H SER 36 H SER 36 2.728 -7.033 9.537 263 HA SER 36 HA SER 36 4.998 -7.474 7.677 264 HB2 SER 36 HB2 SER 36 6.212 -8.378 9.716 265 HB3 SER 36 HB3 SER 36 5.836 -6.656 9.806 266 HG SER 36 HG SER 36 4.431 -7.015 11.366 267 H TYR 37 H TYR 37 5.273 -9.528 6.852 268 HA TYR 37 HA TYR 37 3.672 -11.772 7.773 269 HB2 TYR 37 HB2 TYR 37 2.397 -12.040 5.645 270 HB3 TYR 37 HB3 TYR 37 1.950 -10.584 6.514 271 HD1 TYR 37 HD2 TYR 37 2.569 -8.341 5.625 272 HD2 TYR 37 HD1 TYR 37 3.449 -11.896 3.410 273 HE1 TYR 37 HE2 TYR 37 2.934 -6.998 3.607 274 HE2 TYR 37 HE1 TYR 37 3.815 -10.544 1.390 275 HH TYR 37 HH TYR 37 4.146 -7.153 1.475 276 H THR 38 H THR 38 4.051 -13.721 6.567 277 HA THR 38 HA THR 38 6.689 -13.792 5.218 278 HB THR 38 HB THR 38 5.240 -16.006 6.743 279 HG1 THR 38 HG1 THR 38 6.227 -14.339 8.042 280 HG21 THR 38 HG21 THR 38 7.993 -16.056 5.443 281 HG22 THR 38 HG22 THR 38 6.578 -16.957 4.894 282 HG23 THR 38 HG23 THR 38 7.313 -17.330 6.455 283 HA PRO 39 HA PRO 39 4.090 -14.753 1.548 284 HB2 PRO 39 HB2 PRO 39 6.240 -15.210 -0.174 285 HB3 PRO 39 HB3 PRO 39 5.553 -13.619 0.174 286 HG2 PRO 39 HG2 PRO 39 7.975 -14.945 1.371 287 HG3 PRO 39 HG3 PRO 39 7.761 -13.260 0.850 288 HD2 PRO 39 HD2 PRO 39 7.637 -13.945 3.454 289 HD3 PRO 39 HD3 PRO 39 6.588 -12.672 2.793 290 H THR 40 H THR 40 3.179 -16.674 1.133 291 HA THR 40 HA THR 40 3.850 -18.961 2.646 292 HB THR 40 HB THR 40 1.909 -20.050 1.537 293 HG1 THR 40 HG1 THR 40 1.007 -19.209 -0.261 294 HG21 THR 40 HG21 THR 40 0.165 -18.402 2.144 295 HG22 THR 40 HG22 THR 40 1.383 -17.127 2.214 296 HG23 THR 40 HG23 THR 40 1.434 -18.462 3.369 297 H ASN 41 H ASN 41 5.036 -18.105 -0.441 298 HA ASN 41 HA ASN 41 5.347 -20.816 -1.495 299 HB2 ASN 41 HB2 ASN 41 6.111 -18.087 -2.601 300 HB3 ASN 41 HB3 ASN 41 6.464 -19.597 -3.435 301 HD21 ASN 41 HD21 ASN 41 3.432 -19.000 -1.652 302 HD22 ASN 41 HD22 ASN 41 2.436 -18.983 -3.054 303 H GLY 42 H GLY 42 6.954 -19.496 0.925 304 HA2 GLY 42 HA2 GLY 42 8.921 -20.197 1.934 305 HA3 GLY 42 HA3 GLY 42 9.364 -21.050 0.465 306 H GLY 43 H GLY 43 8.714 -17.645 1.301 307 HA2 GLY 43 HA2 GLY 43 11.347 -16.843 0.135 308 HA3 GLY 43 HA3 GLY 43 9.877 -15.889 -0.025 309 H GLN 44 H GLN 44 12.173 -14.727 0.977 310 HA GLN 44 HA GLN 44 12.445 -14.606 3.762 311 HB2 GLN 44 HB2 GLN 44 14.120 -13.588 2.356 312 HB3 GLN 44 HB3 GLN 44 12.947 -12.523 1.603 313 HG2 GLN 44 HG2 GLN 44 14.342 -11.229 3.079 314 HG3 GLN 44 HG3 GLN 44 12.717 -11.286 3.747 315 HE21 GLN 44 HE21 GLN 44 15.288 -10.712 5.056 316 HE22 GLN 44 HE22 GLN 44 15.423 -11.831 6.359 317 H ARG 45 H ARG 45 11.319 -13.621 5.389 318 HA ARG 45 HA ARG 45 8.677 -12.789 5.142 319 HB2 ARG 45 HB2 ARG 45 8.777 -12.095 7.459 320 HB3 ARG 45 HB3 ARG 45 9.804 -13.517 7.286 321 HG2 ARG 45 HG2 ARG 45 11.808 -12.083 7.269 322 HG3 ARG 45 HG3 ARG 45 10.792 -10.646 7.374 323 HD2 ARG 45 HD2 ARG 45 9.927 -11.619 9.598 324 HD3 ARG 45 HD3 ARG 45 11.293 -12.744 9.501 325 HE ARG 45 HE ARG 45 11.944 -9.933 9.187 326 HH11 ARG 45 HH11 ARG 45 11.812 -12.557 11.455 327 HH12 ARG 45 HH12 ARG 45 12.747 -11.701 12.625 328 HH21 ARG 45 HH21 ARG 45 13.094 -8.883 10.692 329 HH22 ARG 45 HH22 ARG 45 13.500 -9.662 12.184 330 H VAL 46 H VAL 46 7.674 -10.864 4.771 331 HA VAL 46 HA VAL 46 9.214 -8.571 3.850 332 HB VAL 46 HB VAL 46 6.188 -8.995 3.937 333 HG11 VAL 46 HG11 VAL 46 6.777 -6.601 3.823 334 HG12 VAL 46 HG12 VAL 46 6.067 -7.143 2.303 335 HG13 VAL 46 HG13 VAL 46 7.812 -6.905 2.425 336 HG21 VAL 46 HG21 VAL 46 8.125 -9.390 1.611 337 HG22 VAL 46 HG22 VAL 46 6.366 -9.533 1.529 338 HG23 VAL 46 HG23 VAL 46 7.296 -10.674 2.500 339 H ASP 47 H ASP 47 10.029 -7.365 5.455 340 HA ASP 47 HA ASP 47 8.769 -7.027 8.049 341 HB2 ASP 47 HB2 ASP 47 11.356 -5.947 6.845 342 HB3 ASP 47 HB3 ASP 47 10.825 -5.587 8.490 343 H HIS 48 H HIS 48 7.081 -5.644 8.157 344 HA HIS 48 HA HIS 48 5.782 -3.804 8.093 345 HB2 HIS 48 HB2 HIS 48 8.501 -2.443 8.022 346 HB3 HIS 48 HB3 HIS 48 6.994 -1.555 8.205 347 HD1 HIS 48 HD1 HIS 48 7.585 -0.728 10.564 348 HD2 HIS 48 HD2 HIS 48 7.488 -4.858 10.221 349 HE1 HIS 48 HE1 HIS 48 7.677 -1.594 12.915 350 HE2 HIS 48 HE2 HIS 48 7.398 -4.077 12.676 351 H HIS 49 H HIS 49 4.923 -4.493 6.055 352 HA HIS 49 HA HIS 49 5.591 -2.945 3.658 353 HB2 HIS 49 HB2 HIS 49 5.084 -5.434 3.567 354 HB3 HIS 49 HB3 HIS 49 3.429 -5.070 4.022 355 HD2 HIS 49 HD2 HIS 49 1.912 -3.725 1.990 356 HE1 HIS 49 HE1 HIS 49 4.669 -4.731 -1.059 357 HE2 HIS 49 HE2 HIS 49 2.435 -3.665 -0.551 358 H LYS 50 H LYS 50 4.753 -0.876 3.704 359 HA LYS 50 HA LYS 50 1.882 -0.577 4.388 360 HB2 LYS 50 HB2 LYS 50 2.284 1.647 5.232 361 HB3 LYS 50 HB3 LYS 50 3.360 0.521 6.048 362 HG2 LYS 50 HG2 LYS 50 5.243 1.310 4.647 363 HG3 LYS 50 HG3 LYS 50 4.156 2.439 3.826 364 HD2 LYS 50 HD2 LYS 50 3.720 3.563 6.024 365 HD3 LYS 50 HD3 LYS 50 4.866 2.461 6.792 366 HE2 LYS 50 HE2 LYS 50 5.950 4.584 6.378 367 HE3 LYS 50 HE3 LYS 50 6.664 3.366 5.327 368 HZ1 LYS 50 HZ1 LYS 50 5.356 4.209 3.488 369 HZ2 LYS 50 HZ2 LYS 50 6.257 5.461 4.184 370 HZ3 LYS 50 HZ3 LYS 50 4.604 5.337 4.501 371 H TRP 51 H TRP 51 1.094 1.108 1.360 372 HA TRP 51 HA TRP 51 0.385 0.232 4.105 373 HB2 TRP 51 HB2 TRP 51 -1.034 2.332 2.412 374 HB3 TRP 51 HB3 TRP 51 -1.571 1.764 3.989 375 HD1 TRP 51 HD1 TRP 51 1.149 3.908 2.349 376 HE1 TRP 51 HE1 TRP 51 2.197 5.421 4.131 377 HE3 TRP 51 HE3 TRP 51 -1.115 1.970 6.506 378 HZ2 TRP 51 HZ2 TRP 51 2.092 5.766 6.924 379 HZ3 TRP 51 HZ3 TRP 51 -0.590 2.952 8.701 380 HH2 TRP 51 HH2 TRP 51 0.984 4.816 8.904 381 H VAL 52 H VAL 52 -1.544 -0.728 4.413 382 HA VAL 52 HA VAL 52 -3.211 -1.641 2.148 383 HB VAL 52 HB VAL 52 -3.713 -3.798 3.299 384 HG11 VAL 52 HG11 VAL 52 -1.619 -5.011 2.796 385 HG12 VAL 52 HG12 VAL 52 -0.739 -3.483 2.733 386 HG13 VAL 52 HG13 VAL 52 -1.996 -3.826 1.542 387 HG21 VAL 52 HG21 VAL 52 -2.310 -4.631 5.172 388 HG22 VAL 52 HG22 VAL 52 -3.205 -3.183 5.633 389 HG23 VAL 52 HG23 VAL 52 -1.485 -3.071 5.253 390 H ILE 53 H ILE 53 -5.479 -1.594 2.666 391 HA ILE 53 HA ILE 53 -6.108 -0.139 5.176 392 HB ILE 53 HB ILE 53 -8.055 0.861 4.124 393 HG12 ILE 53 HG12 ILE 53 -7.303 -0.579 1.529 394 HG13 ILE 53 HG13 ILE 53 -8.666 -1.005 2.556 395 HG21 ILE 53 HG21 ILE 53 -6.957 2.356 2.482 396 HG22 ILE 53 HG22 ILE 53 -5.597 1.238 2.369 397 HG23 ILE 53 HG23 ILE 53 -5.931 2.069 3.890 398 HD11 ILE 53 HD11 ILE 53 -9.400 0.232 0.624 399 HD12 ILE 53 HD12 ILE 53 -8.315 1.563 1.014 400 HD13 ILE 53 HD13 ILE 53 -9.676 1.193 2.077 401 H GLN 54 H GLN 54 -8.593 -0.505 5.660 402 HA GLN 54 HA GLN 54 -9.008 -2.971 6.746 403 HB2 GLN 54 HB2 GLN 54 -10.269 -0.838 7.190 404 HB3 GLN 54 HB3 GLN 54 -11.196 -1.114 5.721 405 HG2 GLN 54 HG2 GLN 54 -12.135 -3.165 6.691 406 HG3 GLN 54 HG3 GLN 54 -11.167 -2.933 8.149 407 HE21 GLN 54 HE21 GLN 54 -12.905 -2.741 9.550 408 HE22 GLN 54 HE22 GLN 54 -14.004 -1.410 9.519 409 H GLU 55 H GLU 55 -9.717 -2.078 3.367 410 HA GLU 55 HA GLU 55 -11.526 -4.179 2.742 411 HB2 GLU 55 HB2 GLU 55 -11.295 -1.934 1.581 412 HB3 GLU 55 HB3 GLU 55 -9.816 -2.529 0.837 413 HG2 GLU 55 HG2 GLU 55 -11.180 -4.356 -0.237 414 HG3 GLU 55 HG3 GLU 55 -12.629 -3.597 0.418 415 H GLU 56 H GLU 56 -8.016 -4.142 2.891 416 HA GLU 56 HA GLU 56 -7.597 -6.258 0.918 417 HB2 GLU 56 HB2 GLU 56 -5.768 -4.624 2.699 418 HB3 GLU 56 HB3 GLU 56 -5.154 -6.101 1.975 419 HG2 GLU 56 HG2 GLU 56 -4.485 -4.264 0.604 420 HG3 GLU 56 HG3 GLU 56 -5.677 -5.214 -0.274 421 H ILE 57 H ILE 57 -8.609 -6.275 4.115 422 HA ILE 57 HA ILE 57 -7.156 -8.760 4.843 423 HB ILE 57 HB ILE 57 -8.249 -6.528 6.623 424 HG12 ILE 57 HG12 ILE 57 -5.362 -7.379 6.044 425 HG13 ILE 57 HG13 ILE 57 -6.148 -5.973 5.342 426 HG21 ILE 57 HG21 ILE 57 -6.807 -9.083 7.434 427 HG22 ILE 57 HG22 ILE 57 -8.491 -8.675 7.781 428 HG23 ILE 57 HG23 ILE 57 -7.190 -7.742 8.517 429 HD11 ILE 57 HD11 ILE 57 -4.640 -5.348 7.111 430 HD12 ILE 57 HD12 ILE 57 -5.496 -6.380 8.257 431 HD13 ILE 57 HD13 ILE 57 -6.298 -4.963 7.570 432 H LYS 58 H LYS 58 -8.291 -10.550 5.342 433 HA LYS 58 HA LYS 58 -11.078 -10.831 4.881 434 HB2 LYS 58 HB2 LYS 58 -9.421 -12.654 4.537 435 HB3 LYS 58 HB3 LYS 58 -9.138 -12.737 6.270 436 HG2 LYS 58 HG2 LYS 58 -11.424 -13.506 6.651 437 HG3 LYS 58 HG3 LYS 58 -11.808 -13.315 4.938 438 HD2 LYS 58 HD2 LYS 58 -9.756 -15.261 6.077 439 HD3 LYS 58 HD3 LYS 58 -11.396 -15.688 5.581 440 HE2 LYS 58 HE2 LYS 58 -10.816 -14.928 3.251 441 HE3 LYS 58 HE3 LYS 58 -9.150 -14.684 3.788 442 HZ1 LYS 58 HZ1 LYS 58 -8.999 -17.024 4.305 443 HZ2 LYS 58 HZ2 LYS 58 -9.487 -16.830 2.698 444 HZ3 LYS 58 HZ3 LYS 58 -10.615 -17.263 3.878 445 H ASP 59 H ASP 59 -9.158 -10.802 7.866 446 HA ASP 59 HA ASP 59 -11.186 -11.429 9.707 447 HB2 ASP 59 HB2 ASP 59 -8.756 -11.645 10.148 448 HB3 ASP 59 HB3 ASP 59 -8.588 -9.897 10.137 449 H ALA 60 H ALA 60 -10.552 -8.457 8.054 450 HA ALA 60 HA ALA 60 -10.826 -6.351 9.637 451 HB1 ALA 60 HB1 ALA 60 -10.560 -6.240 7.205 452 HB2 ALA 60 HB2 ALA 60 -11.787 -5.106 7.768 453 HB3 ALA 60 HB3 ALA 60 -12.271 -6.617 6.994 454 H GLY 61 H GLY 61 -13.882 -7.796 8.270 455 HA2 GLY 61 HA2 GLY 61 -15.959 -8.063 9.190 456 HA3 GLY 61 HA3 GLY 61 -15.189 -7.893 10.753 457 H ASP 62 H ASP 62 -15.055 -5.237 8.504 458 HA ASP 62 HA ASP 62 -15.648 -3.077 8.621 459 HB2 ASP 62 HB2 ASP 62 -17.922 -4.125 8.152 460 HB3 ASP 62 HB3 ASP 62 -18.268 -4.004 9.874 461 H LYS 63 H LYS 63 -14.505 -4.505 11.114 462 HA LYS 63 HA LYS 63 -14.956 -2.358 13.112 463 HB2 LYS 63 HB2 LYS 63 -14.281 -3.871 14.839 464 HB3 LYS 63 HB3 LYS 63 -15.328 -4.822 13.791 465 HG2 LYS 63 HG2 LYS 63 -13.228 -5.726 12.692 466 HG3 LYS 63 HG3 LYS 63 -12.298 -4.933 13.963 467 HD2 LYS 63 HD2 LYS 63 -13.578 -6.295 15.651 468 HD3 LYS 63 HD3 LYS 63 -14.371 -7.139 14.317 469 HE2 LYS 63 HE2 LYS 63 -11.387 -7.131 14.910 470 HE3 LYS 63 HE3 LYS 63 -12.504 -8.462 15.210 471 HZ1 LYS 63 HZ1 LYS 63 -11.818 -7.346 12.541 472 HZ2 LYS 63 HZ2 LYS 63 -12.870 -8.632 12.828 473 HZ3 LYS 63 HZ3 LYS 63 -11.225 -8.792 13.188 474 H THR 64 H THR 64 -13.015 -1.555 14.250 475 HA THR 64 HA THR 64 -10.751 -1.069 12.491 476 HB THR 64 HB THR 64 -9.783 0.211 14.450 477 HG1 THR 64 HG1 THR 64 -11.764 -1.129 15.783 478 HG21 THR 64 HG21 THR 64 -12.647 0.975 13.781 479 HG22 THR 64 HG22 THR 64 -11.218 1.399 12.832 480 HG23 THR 64 HG23 THR 64 -11.420 2.042 14.464 481 H LEU 65 H LEU 65 -9.002 -2.377 12.338 482 HA LEU 65 HA LEU 65 -8.317 -4.309 14.414 483 HB2 LEU 65 HB2 LEU 65 -6.767 -3.617 11.889 484 HB3 LEU 65 HB3 LEU 65 -6.599 -5.067 12.872 485 HG LEU 65 HG LEU 65 -9.071 -4.335 11.237 486 HD11 LEU 65 HD11 LEU 65 -7.197 -4.884 9.779 487 HD12 LEU 65 HD12 LEU 65 -8.430 -6.141 9.719 488 HD13 LEU 65 HD13 LEU 65 -6.945 -6.407 10.638 489 HD21 LEU 65 HD21 LEU 65 -8.468 -6.898 12.761 490 HD22 LEU 65 HD22 LEU 65 -9.867 -6.615 11.722 491 HD23 LEU 65 HD23 LEU 65 -9.671 -5.681 13.201 492 H GLN 66 H GLN 66 -6.575 -4.165 15.797 493 HA GLN 66 HA GLN 66 -5.427 -1.447 16.185 494 HB2 GLN 66 HB2 GLN 66 -5.964 -3.647 18.236 495 HB3 GLN 66 HB3 GLN 66 -5.162 -2.127 18.602 496 HG2 GLN 66 HG2 GLN 66 -7.364 -1.821 19.362 497 HG3 GLN 66 HG3 GLN 66 -7.320 -0.967 17.822 498 HE21 GLN 66 HE21 GLN 66 -9.603 -1.108 17.738 499 HE22 GLN 66 HE22 GLN 66 -10.404 -2.565 17.292 500 HA PRO 67 HA PRO 67 -1.162 -3.017 15.741 501 HB2 PRO 67 HB2 PRO 67 -0.589 -1.388 18.223 502 HB3 PRO 67 HB3 PRO 67 0.264 -1.407 16.671 503 HG2 PRO 67 HG2 PRO 67 -1.364 0.618 17.265 504 HG3 PRO 67 HG3 PRO 67 -1.352 -0.059 15.621 505 HD2 PRO 67 HD2 PRO 67 -3.356 -0.495 17.838 506 HD3 PRO 67 HD3 PRO 67 -3.629 -0.262 16.096 507 H GLY 68 H GLY 68 -0.257 -4.883 16.441 508 HA2 GLY 68 HA2 GLY 68 0.501 -6.456 18.099 509 HA3 GLY 68 HA3 GLY 68 -0.778 -5.927 19.175 510 H ASP 69 H ASP 69 -2.721 -6.091 16.780 511 HA ASP 69 HA ASP 69 -3.565 -8.811 17.161 512 HB2 ASP 69 HB2 ASP 69 -4.575 -6.635 15.287 513 HB3 ASP 69 HB3 ASP 69 -5.315 -8.232 15.387 514 H GLN 70 H GLN 70 -3.909 -10.403 15.516 515 HA GLN 70 HA GLN 70 -2.139 -10.230 13.149 516 HB2 GLN 70 HB2 GLN 70 -1.220 -11.741 14.980 517 HB3 GLN 70 HB3 GLN 70 -2.621 -12.782 14.749 518 HG2 GLN 70 HG2 GLN 70 -1.935 -13.197 12.420 519 HG3 GLN 70 HG3 GLN 70 -0.549 -12.126 12.630 520 HE21 GLN 70 HE21 GLN 70 0.931 -13.772 12.158 521 HE22 GLN 70 HE22 GLN 70 1.247 -15.081 13.241 522 H VAL 71 H VAL 71 -2.955 -11.053 11.287 523 HA VAL 71 HA VAL 71 -5.793 -11.764 11.062 524 HB VAL 71 HB VAL 71 -6.207 -9.928 9.430 525 HG11 VAL 71 HG11 VAL 71 -6.305 -8.003 10.992 526 HG12 VAL 71 HG12 VAL 71 -5.238 -8.857 12.108 527 HG13 VAL 71 HG13 VAL 71 -6.845 -9.499 11.761 528 HG21 VAL 71 HG21 VAL 71 -4.591 -8.048 9.152 529 HG22 VAL 71 HG22 VAL 71 -3.921 -9.577 8.582 530 HG23 VAL 71 HG23 VAL 71 -3.416 -8.922 10.141 531 H ILE 72 H ILE 72 -6.275 -11.905 8.499 532 HA ILE 72 HA ILE 72 -3.912 -12.914 6.997 533 HB ILE 72 HB ILE 72 -6.720 -14.133 7.006 534 HG12 ILE 72 HG12 ILE 72 -4.002 -15.284 7.822 535 HG13 ILE 72 HG13 ILE 72 -5.317 -14.862 8.911 536 HG21 ILE 72 HG21 ILE 72 -5.887 -14.114 4.688 537 HG22 ILE 72 HG22 ILE 72 -5.910 -15.760 5.315 538 HG23 ILE 72 HG23 ILE 72 -4.382 -14.885 5.199 539 HD11 ILE 72 HD11 ILE 72 -5.155 -17.246 8.621 540 HD12 ILE 72 HD12 ILE 72 -5.327 -17.086 6.875 541 HD13 ILE 72 HD13 ILE 72 -6.674 -16.665 7.939 542 H LEU 73 H LEU 73 -3.752 -12.309 4.871 543 HA LEU 73 HA LEU 73 -5.355 -10.026 3.962 544 HB2 LEU 73 HB2 LEU 73 -2.856 -11.303 2.770 545 HB3 LEU 73 HB3 LEU 73 -3.572 -9.778 2.258 546 HG LEU 73 HG LEU 73 -2.392 -10.267 5.028 547 HD11 LEU 73 HD11 LEU 73 -1.128 -8.831 2.671 548 HD12 LEU 73 HD12 LEU 73 -0.629 -10.390 3.328 549 HD13 LEU 73 HD13 LEU 73 -0.463 -8.934 4.305 550 HD21 LEU 73 HD21 LEU 73 -2.507 -7.812 5.278 551 HD22 LEU 73 HD22 LEU 73 -4.106 -8.507 5.030 552 HD23 LEU 73 HD23 LEU 73 -3.292 -7.679 3.700 553 H GLU 74 H GLU 74 -6.955 -10.223 2.466 554 HA GLU 74 HA GLU 74 -7.175 -12.564 0.707 555 HB2 GLU 74 HB2 GLU 74 -9.006 -10.161 1.067 556 HB3 GLU 74 HB3 GLU 74 -9.306 -11.460 -0.089 557 HG2 GLU 74 HG2 GLU 74 -9.257 -13.066 1.870 558 HG3 GLU 74 HG3 GLU 74 -9.228 -11.659 2.931 559 H ALA 75 H ALA 75 -5.770 -9.457 0.542 560 HA ALA 75 HA ALA 75 -5.770 -9.366 -2.410 561 HB1 ALA 75 HB1 ALA 75 -4.678 -7.383 -0.382 562 HB2 ALA 75 HB2 ALA 75 -6.235 -7.272 -1.204 563 HB3 ALA 75 HB3 ALA 75 -4.740 -7.145 -2.132 564 H SER 76 H SER 76 -3.683 -9.031 -3.544 565 HA SER 76 HA SER 76 -1.277 -10.025 -2.164 566 HB2 SER 76 HB2 SER 76 -2.408 -11.961 -3.378 567 HB3 SER 76 HB3 SER 76 -2.110 -11.118 -4.891 568 HG SER 76 HG SER 76 -0.108 -11.759 -4.800 569 H HIS 77 H HIS 77 0.332 -8.568 -2.548 570 HA HIS 77 HA HIS 77 0.459 -7.189 -5.150 571 HB2 HIS 77 HB2 HIS 77 1.698 -6.443 -2.457 572 HB3 HIS 77 HB3 HIS 77 1.836 -5.501 -3.940 573 HD2 HIS 77 HD2 HIS 77 -1.050 -6.615 -1.469 574 HE1 HIS 77 HE1 HIS 77 -2.128 -3.008 -3.379 575 HE2 HIS 77 HE2 HIS 77 -2.692 -4.615 -1.514 576 H MET 78 H MET 78 1.696 -9.863 -3.689 577 HA MET 78 HA MET 78 3.967 -10.053 -5.473 578 HB2 MET 78 HB2 MET 78 5.665 -10.492 -3.728 579 HB3 MET 78 HB3 MET 78 5.015 -8.867 -3.585 580 HG2 MET 78 HG2 MET 78 3.561 -9.651 -1.720 581 HG3 MET 78 HG3 MET 78 4.325 -11.238 -1.834 582 HE1 MET 78 HE1 MET 78 4.814 -7.443 -0.926 583 HE2 MET 78 HE2 MET 78 5.989 -7.636 -2.228 584 HE3 MET 78 HE3 MET 78 6.541 -7.371 -0.574 585 H LYS 79 H LYS 79 5.093 -12.243 -5.200 586 HA LYS 79 HA LYS 79 3.183 -14.299 -5.542 587 HB2 LYS 79 HB2 LYS 79 5.355 -14.207 -6.725 588 HB3 LYS 79 HB3 LYS 79 6.208 -14.471 -5.209 589 HG2 LYS 79 HG2 LYS 79 5.177 -16.728 -5.042 590 HG3 LYS 79 HG3 LYS 79 4.360 -16.454 -6.586 591 HD2 LYS 79 HD2 LYS 79 6.589 -16.228 -7.691 592 HD3 LYS 79 HD3 LYS 79 7.377 -16.557 -6.146 593 HE2 LYS 79 HE2 LYS 79 7.335 -18.565 -7.551 594 HE3 LYS 79 HE3 LYS 79 6.347 -18.806 -6.109 595 HZ1 LYS 79 HZ1 LYS 79 5.270 -19.635 -8.112 596 HZ2 LYS 79 HZ2 LYS 79 5.312 -18.093 -8.804 597 HZ3 LYS 79 HZ3 LYS 79 4.376 -18.375 -7.427 598 H GLY 80 H GLY 80 1.960 -14.879 -3.791 599 HA2 GLY 80 HA2 GLY 80 1.656 -16.508 -2.078 600 HA3 GLY 80 HA3 GLY 80 3.301 -16.240 -1.526 601 H MET 81 H MET 81 1.217 -13.470 -2.188 602 HA MET 81 HA MET 81 1.218 -12.770 0.673 603 HB2 MET 81 HB2 MET 81 2.009 -11.085 -0.964 604 HB3 MET 81 HB3 MET 81 0.440 -11.096 -1.754 605 HG2 MET 81 HG2 MET 81 -0.603 -10.145 0.243 606 HG3 MET 81 HG3 MET 81 0.938 -10.215 1.104 607 HE1 MET 81 HE1 MET 81 0.771 -7.623 1.748 608 HE2 MET 81 HE2 MET 81 -0.777 -7.472 0.913 609 HE3 MET 81 HE3 MET 81 0.524 -6.336 0.569 610 H LYS 82 H LYS 82 -1.173 -13.270 -1.973 611 HA LYS 82 HA LYS 82 -3.513 -12.944 -0.362 612 HB2 LYS 82 HB2 LYS 82 -3.481 -12.943 -2.892 613 HB3 LYS 82 HB3 LYS 82 -3.253 -14.684 -2.857 614 HG2 LYS 82 HG2 LYS 82 -5.446 -14.957 -1.764 615 HG3 LYS 82 HG3 LYS 82 -5.656 -13.202 -1.735 616 HD2 LYS 82 HD2 LYS 82 -5.511 -13.232 -4.274 617 HD3 LYS 82 HD3 LYS 82 -5.525 -14.998 -4.193 618 HE2 LYS 82 HE2 LYS 82 -7.729 -13.132 -3.234 619 HE3 LYS 82 HE3 LYS 82 -7.766 -14.137 -4.685 620 HZ1 LYS 82 HZ1 LYS 82 -7.704 -16.096 -3.293 621 HZ2 LYS 82 HZ2 LYS 82 -9.002 -15.111 -2.845 622 HZ3 LYS 82 HZ3 LYS 82 -7.606 -15.150 -1.895 623 H GLY 83 H GLY 83 -4.196 -14.210 1.245 624 HA2 GLY 83 HA2 GLY 83 -4.855 -16.200 2.305 625 HA3 GLY 83 HA3 GLY 83 -3.799 -17.121 1.246 626 H ALA 84 H ALA 84 -1.846 -14.676 2.129 627 HA ALA 84 HA ALA 84 -0.412 -16.225 4.096 628 HB1 ALA 84 HB1 ALA 84 1.259 -14.423 3.992 629 HB2 ALA 84 HB2 ALA 84 0.154 -13.438 3.025 630 HB3 ALA 84 HB3 ALA 84 0.789 -14.948 2.374 631 H THR 85 H THR 85 0.034 -15.657 6.214 632 HA THR 85 HA THR 85 -2.037 -14.138 7.616 633 HB THR 85 HB THR 85 0.306 -15.711 8.795 634 HG1 THR 85 HG1 THR 85 -2.088 -16.933 9.062 635 HG21 THR 85 HG21 THR 85 -2.302 -14.773 10.056 636 HG22 THR 85 HG22 THR 85 -0.693 -14.139 10.415 637 HG23 THR 85 HG23 THR 85 -1.100 -15.802 10.841 638 H ALA 86 H ALA 86 -1.758 -12.051 8.167 639 HA ALA 86 HA ALA 86 0.957 -10.830 8.208 640 HB1 ALA 86 HB1 ALA 86 -1.695 -9.519 7.496 641 HB2 ALA 86 HB2 ALA 86 -0.447 -10.010 6.351 642 HB3 ALA 86 HB3 ALA 86 -0.117 -8.726 7.512 643 H GLU 87 H GLU 87 1.406 -9.308 9.876 644 HA GLU 87 HA GLU 87 -0.493 -9.272 12.158 645 HB2 GLU 87 HB2 GLU 87 1.544 -10.618 12.607 646 HB3 GLU 87 HB3 GLU 87 2.554 -9.217 12.262 647 HG2 GLU 87 HG2 GLU 87 1.703 -8.048 14.211 648 HG3 GLU 87 HG3 GLU 87 0.503 -9.314 14.499 649 H ILE 88 H ILE 88 -1.201 -7.340 12.775 650 HA ILE 88 HA ILE 88 -0.545 -4.933 11.388 651 HB ILE 88 HB ILE 88 -2.117 -5.159 14.002 652 HG12 ILE 88 HG12 ILE 88 -3.102 -6.698 12.300 653 HG13 ILE 88 HG13 ILE 88 -4.189 -5.372 12.691 654 HG21 ILE 88 HG21 ILE 88 -2.215 -3.012 11.841 655 HG22 ILE 88 HG22 ILE 88 -1.494 -2.848 13.442 656 HG23 ILE 88 HG23 ILE 88 -3.235 -3.070 13.284 657 HD11 ILE 88 HD11 ILE 88 -2.491 -5.601 10.206 658 HD12 ILE 88 HD12 ILE 88 -3.571 -4.257 10.593 659 HD13 ILE 88 HD13 ILE 88 -4.229 -5.871 10.326 660 H ASP 89 H ASP 89 1.556 -4.195 11.702 661 HA ASP 89 HA ASP 89 2.895 -3.984 14.232 662 HB2 ASP 89 HB2 ASP 89 3.429 -2.455 11.643 663 HB3 ASP 89 HB3 ASP 89 4.540 -2.602 13.004 664 H SER 90 H SER 90 0.873 -1.890 12.256 665 HA SER 90 HA SER 90 0.473 0.047 14.385 666 HB2 SER 90 HB2 SER 90 2.601 0.844 13.364 667 HB3 SER 90 HB3 SER 90 1.824 0.928 11.787 668 HG SER 90 HG SER 90 1.450 2.551 14.051 669 H ALA 91 H ALA 91 -1.343 1.344 14.067 670 HA ALA 91 HA ALA 91 -2.901 1.087 11.556 671 HB1 ALA 91 HB1 ALA 91 -4.984 0.872 12.870 672 HB2 ALA 91 HB2 ALA 91 -4.050 0.857 14.369 673 HB3 ALA 91 HB3 ALA 91 -3.880 -0.463 13.213 674 H GLU 92 H GLU 92 -3.724 2.995 10.833 675 HA GLU 92 HA GLU 92 -3.965 5.353 12.565 676 HB2 GLU 92 HB2 GLU 92 -1.599 5.400 11.738 677 HB3 GLU 92 HB3 GLU 92 -2.176 5.359 10.087 678 HG2 GLU 92 HG2 GLU 92 -1.498 7.621 10.732 679 HG3 GLU 92 HG3 GLU 92 -3.215 7.554 10.341 680 H LYS 93 H LYS 93 -5.494 6.835 11.811 681 HA LYS 93 HA LYS 93 -6.989 6.119 9.365 682 HB2 LYS 93 HB2 LYS 93 -7.637 8.136 11.571 683 HB3 LYS 93 HB3 LYS 93 -8.614 7.903 10.131 684 HG2 LYS 93 HG2 LYS 93 -9.710 6.729 11.888 685 HG3 LYS 93 HG3 LYS 93 -8.974 5.502 10.855 686 HD2 LYS 93 HD2 LYS 93 -7.122 5.239 12.470 687 HD3 LYS 93 HD3 LYS 93 -7.810 6.512 13.485 688 HE2 LYS 93 HE2 LYS 93 -9.146 3.856 12.847 689 HE3 LYS 93 HE3 LYS 93 -8.312 4.245 14.353 690 HZ1 LYS 93 HZ1 LYS 93 -10.755 5.589 13.315 691 HZ2 LYS 93 HZ2 LYS 93 -9.943 6.004 14.737 692 HZ3 LYS 93 HZ3 LYS 93 -10.685 4.495 14.603 693 H THR 94 H THR 94 -5.743 6.806 7.692 694 HA THR 94 HA THR 94 -4.864 9.638 7.544 695 HB THR 94 HB THR 94 -2.879 8.427 8.290 696 HG1 THR 94 HG1 THR 94 -1.554 8.787 6.283 697 HG21 THR 94 HG21 THR 94 -3.223 6.626 5.862 698 HG22 THR 94 HG22 THR 94 -3.427 6.143 7.549 699 HG23 THR 94 HG23 THR 94 -1.837 6.625 6.958 700 H THR 95 H THR 95 -4.350 10.366 5.306 701 HA THR 95 HA THR 95 -6.328 9.353 3.454 702 HB THR 95 HB THR 95 -4.385 11.702 3.225 703 HG1 THR 95 HG1 THR 95 -7.198 11.854 3.539 704 HG21 THR 95 HG21 THR 95 -5.073 10.900 0.972 705 HG22 THR 95 HG22 THR 95 -5.803 12.460 1.337 706 HG23 THR 95 HG23 THR 95 -6.772 10.992 1.462 707 H VAL 96 H VAL 96 -5.894 7.879 1.922 708 HA VAL 96 HA VAL 96 -3.110 7.350 1.071 709 HB VAL 96 HB VAL 96 -3.876 4.959 0.626 710 HG11 VAL 96 HG11 VAL 96 -3.655 4.210 2.977 711 HG12 VAL 96 HG12 VAL 96 -3.938 5.863 3.533 712 HG13 VAL 96 HG13 VAL 96 -2.493 5.484 2.591 713 HG21 VAL 96 HG21 VAL 96 -6.328 5.328 0.611 714 HG22 VAL 96 HG22 VAL 96 -6.288 5.751 2.323 715 HG23 VAL 96 HG23 VAL 96 -5.889 4.109 1.810 716 H TYR 97 H TYR 97 -2.728 7.331 -1.074 717 HA TYR 97 HA TYR 97 -4.935 7.896 -2.945 718 HB2 TYR 97 HB2 TYR 97 -1.986 8.649 -3.122 719 HB3 TYR 97 HB3 TYR 97 -3.186 8.991 -4.367 720 HD1 TYR 97 HD2 TYR 97 -5.002 10.656 -3.927 721 HD2 TYR 97 HD1 TYR 97 -1.851 10.024 -1.113 722 HE1 TYR 97 HE2 TYR 97 -5.574 12.764 -2.816 723 HE2 TYR 97 HE1 TYR 97 -2.440 12.126 -0.003 724 HH TYR 97 HH TYR 97 -5.298 13.754 -0.487 725 H MET 98 H MET 98 -5.302 6.588 -4.565 726 HA MET 98 HA MET 98 -3.515 4.424 -5.378 727 HB2 MET 98 HB2 MET 98 -6.018 4.143 -5.163 728 HB3 MET 98 HB3 MET 98 -6.238 5.318 -6.453 729 HG2 MET 98 HG2 MET 98 -5.116 3.825 -8.022 730 HG3 MET 98 HG3 MET 98 -4.816 2.666 -6.729 731 HE1 MET 98 HE1 MET 98 -7.611 4.408 -8.932 732 HE2 MET 98 HE2 MET 98 -8.129 4.787 -7.289 733 HE3 MET 98 HE3 MET 98 -9.068 3.667 -8.277 734 H VAL 99 H VAL 99 -1.994 4.789 -7.015 735 HA VAL 99 HA VAL 99 -2.354 7.161 -8.798 736 HB VAL 99 HB VAL 99 0.100 7.661 -8.627 737 HG11 VAL 99 HG11 VAL 99 -1.386 7.792 -5.972 738 HG12 VAL 99 HG12 VAL 99 -1.498 8.965 -7.285 739 HG13 VAL 99 HG13 VAL 99 0.021 8.767 -6.409 740 HG21 VAL 99 HG21 VAL 99 0.110 5.629 -6.347 741 HG22 VAL 99 HG22 VAL 99 1.446 6.707 -6.763 742 HG23 VAL 99 HG23 VAL 99 0.940 5.454 -7.896 743 H ASP 100 H ASP 100 -1.602 7.046 -10.908 744 HA ASP 100 HA ASP 100 -0.447 4.485 -11.850 745 HB2 ASP 100 HB2 ASP 100 -1.328 4.972 -14.059 746 HB3 ASP 100 HB3 ASP 100 -2.630 5.145 -12.900 747 H TYR 101 H TYR 101 1.690 4.505 -12.381 748 HA TYR 101 HA TYR 101 3.021 7.075 -13.032 749 HB2 TYR 101 HB2 TYR 101 4.927 6.473 -11.623 750 HB3 TYR 101 HB3 TYR 101 3.459 6.453 -10.663 751 HD1 TYR 101 HD1 TYR 101 2.505 4.247 -9.874 752 HD2 TYR 101 HD2 TYR 101 6.249 4.444 -11.930 753 HE1 TYR 101 HE1 TYR 101 3.065 1.991 -9.079 754 HE2 TYR 101 HE2 TYR 101 6.803 2.191 -11.139 755 HH TYR 101 HH TYR 101 4.508 0.128 -9.650 756 H THR 102 H THR 102 5.129 6.841 -14.074 757 HA THR 102 HA THR 102 5.358 4.447 -15.817 758 HB THR 102 HB THR 102 6.765 7.143 -16.150 759 HG1 THR 102 HG1 THR 102 5.100 7.771 -17.326 760 HG21 THR 102 HG21 THR 102 7.964 5.262 -17.237 761 HG22 THR 102 HG22 THR 102 7.264 6.347 -18.438 762 HG23 THR 102 HG23 THR 102 6.482 4.804 -18.086 763 H SER 103 H SER 103 6.619 2.954 -14.839 764 HA SER 103 HA SER 103 8.566 3.399 -12.833 765 HB2 SER 103 HB2 SER 103 7.466 1.215 -13.110 766 HB3 SER 103 HB3 SER 103 8.215 1.005 -14.692 767 HG SER 103 HG SER 103 9.319 -0.112 -12.996 768 H THR 104 H THR 104 10.356 4.575 -13.158 769 HA THR 104 HA THR 104 11.535 5.272 -15.607 770 HB THR 104 HB THR 104 13.394 6.232 -14.276 771 HG1 THR 104 HG1 THR 104 12.493 5.588 -11.792 772 HG21 THR 104 HG21 THR 104 12.097 7.717 -12.790 773 HG22 THR 104 HG22 THR 104 10.709 6.633 -12.893 774 HG23 THR 104 HG23 THR 104 11.259 7.501 -14.328 775 H THR 105 H THR 105 12.252 2.581 -13.487 776 HA THR 105 HA THR 105 14.856 1.916 -14.550 777 HB THR 105 HB THR 105 14.229 1.408 -12.199 778 HG1 THR 105 HG1 THR 105 14.961 -0.803 -13.842 779 HG21 THR 105 HG21 THR 105 12.785 -0.505 -11.645 780 HG22 THR 105 HG22 THR 105 12.406 -0.736 -13.353 781 HG23 THR 105 HG23 THR 105 11.870 0.726 -12.523 782 H SER 106 H SER 106 11.726 1.363 -15.748 783 HA SER 106 HA SER 106 12.508 -1.082 -17.262 784 HB2 SER 106 HB2 SER 106 10.873 -1.657 -15.528 785 HB3 SER 106 HB3 SER 106 9.779 -0.391 -16.080 786 HG SER 106 HG SER 106 10.411 -2.859 -17.271 787 H GLY 107 H GLY 107 10.587 1.917 -17.333 788 HA2 GLY 107 HA2 GLY 107 9.944 3.164 -19.234 789 HA3 GLY 107 HA3 GLY 107 10.258 1.767 -20.255 790 H GLU 108 H GLU 108 8.717 0.169 -18.098 791 HA GLU 108 HA GLU 108 6.145 0.165 -19.343 792 HB2 GLU 108 HB2 GLU 108 7.170 -1.904 -18.492 793 HB3 GLU 108 HB3 GLU 108 7.201 -1.262 -16.860 794 HG2 GLU 108 HG2 GLU 108 5.425 -2.862 -17.015 795 HG3 GLU 108 HG3 GLU 108 4.709 -1.263 -16.835 796 H LYS 109 H LYS 109 4.246 1.060 -18.666 797 HA LYS 109 HA LYS 109 4.218 2.834 -16.332 798 HB2 LYS 109 HB2 LYS 109 2.163 2.408 -18.544 799 HB3 LYS 109 HB3 LYS 109 1.994 3.569 -17.227 800 HG2 LYS 109 HG2 LYS 109 4.035 4.749 -18.020 801 HG3 LYS 109 HG3 LYS 109 4.168 3.607 -19.362 802 HD2 LYS 109 HD2 LYS 109 1.849 5.528 -18.876 803 HD3 LYS 109 HD3 LYS 109 3.138 5.756 -20.062 804 HE2 LYS 109 HE2 LYS 109 2.392 3.758 -21.283 805 HE3 LYS 109 HE3 LYS 109 1.151 3.453 -20.067 806 HZ1 LYS 109 HZ1 LYS 109 0.199 4.511 -21.970 807 HZ2 LYS 109 HZ2 LYS 109 1.297 5.793 -21.877 808 HZ3 LYS 109 HZ3 LYS 109 0.140 5.582 -20.661 809 H VAL 110 H VAL 110 3.524 2.140 -14.473 810 HA VAL 110 HA VAL 110 1.800 -0.270 -14.210 811 HB VAL 110 HB VAL 110 3.668 0.980 -12.137 812 HG11 VAL 110 HG11 VAL 110 3.183 -1.033 -10.750 813 HG12 VAL 110 HG12 VAL 110 1.975 -1.548 -11.931 814 HG13 VAL 110 HG13 VAL 110 1.741 -0.052 -11.020 815 HG21 VAL 110 HG21 VAL 110 5.057 -1.051 -12.426 816 HG22 VAL 110 HG22 VAL 110 4.927 -0.145 -13.935 817 HG23 VAL 110 HG23 VAL 110 3.976 -1.614 -13.705 818 H LYS 111 H LYS 111 -0.279 0.085 -13.513 819 HA LYS 111 HA LYS 111 -0.991 2.884 -12.855 820 HB2 LYS 111 HB2 LYS 111 -3.187 2.476 -13.842 821 HB3 LYS 111 HB3 LYS 111 -1.924 2.083 -15.005 822 HG2 LYS 111 HG2 LYS 111 -2.246 -0.301 -14.632 823 HG3 LYS 111 HG3 LYS 111 -3.383 0.020 -13.320 824 HD2 LYS 111 HD2 LYS 111 -4.924 1.103 -14.964 825 HD3 LYS 111 HD3 LYS 111 -3.806 0.678 -16.265 826 HE2 LYS 111 HE2 LYS 111 -4.144 -1.720 -15.772 827 HE3 LYS 111 HE3 LYS 111 -5.228 -1.305 -14.441 828 HZ1 LYS 111 HZ1 LYS 111 -5.684 -0.689 -17.311 829 HZ2 LYS 111 HZ2 LYS 111 -6.727 -0.288 -16.040 830 HZ3 LYS 111 HZ3 LYS 111 -6.448 -1.910 -16.426 831 H ASN 112 H ASN 112 -2.542 3.329 -11.304 832 HA ASN 112 HA ASN 112 -3.745 3.192 -9.400 833 HB2 ASN 112 HB2 ASN 112 -4.587 0.584 -10.717 834 HB3 ASN 112 HB3 ASN 112 -5.411 1.276 -9.322 835 HD21 ASN 112 HD21 ASN 112 -7.353 1.599 -10.402 836 HD22 ASN 112 HD22 ASN 112 -7.551 2.776 -11.647 837 H HIS 113 H HIS 113 -1.121 2.488 -8.929 838 HA HIS 113 HA HIS 113 -0.636 0.253 -7.329 839 HB2 HIS 113 HB2 HIS 113 1.221 1.597 -8.106 840 HB3 HIS 113 HB3 HIS 113 0.607 3.033 -7.290 841 HD2 HIS 113 HD2 HIS 113 1.848 3.485 -4.931 842 HE1 HIS 113 HE1 HIS 113 2.961 -0.510 -4.099 843 HE2 HIS 113 HE2 HIS 113 2.809 1.841 -3.175 844 H LYS 114 H LYS 114 -0.994 -0.266 -5.233 845 HA LYS 114 HA LYS 114 -2.310 1.648 -3.391 846 HB2 LYS 114 HB2 LYS 114 -3.153 -1.243 -3.904 847 HB3 LYS 114 HB3 LYS 114 -3.815 -0.212 -2.637 848 HG2 LYS 114 HG2 LYS 114 -4.735 1.310 -4.356 849 HG3 LYS 114 HG3 LYS 114 -4.072 0.276 -5.629 850 HD2 LYS 114 HD2 LYS 114 -5.502 -1.606 -4.796 851 HD3 LYS 114 HD3 LYS 114 -6.190 -0.522 -3.582 852 HE2 LYS 114 HE2 LYS 114 -7.706 -0.740 -5.489 853 HE3 LYS 114 HE3 LYS 114 -7.089 0.909 -5.397 854 HZ1 LYS 114 HZ1 LYS 114 -6.145 -1.222 -7.240 855 HZ2 LYS 114 HZ2 LYS 114 -5.470 0.324 -7.133 856 HZ3 LYS 114 HZ3 LYS 114 -7.070 0.132 -7.655 857 H TRP 115 H TRP 115 -0.597 0.211 -0.602 858 HA TRP 115 HA TRP 115 -1.717 2.548 -2.052 859 HB2 TRP 115 HB2 TRP 115 -1.953 1.797 0.895 860 HB3 TRP 115 HB3 TRP 115 -2.454 3.353 0.247 861 HD1 TRP 115 HD1 TRP 115 -3.696 -0.167 0.740 862 HE1 TRP 115 HE1 TRP 115 -6.078 -0.368 -0.203 863 HE3 TRP 115 HE3 TRP 115 -3.953 4.260 -1.812 864 HZ2 TRP 115 HZ2 TRP 115 -7.828 1.124 -1.819 865 HZ3 TRP 115 HZ3 TRP 115 -6.019 4.793 -3.035 866 HH2 TRP 115 HH2 TRP 115 -7.917 3.254 -3.037 867 H VAL 116 H VAL 116 -0.923 4.557 -1.634 868 HA VAL 116 HA VAL 116 1.472 4.915 0.091 869 HB VAL 116 HB VAL 116 2.216 6.790 -1.444 870 HG11 VAL 116 HG11 VAL 116 3.273 5.349 -3.159 871 HG12 VAL 116 HG12 VAL 116 2.174 4.033 -2.739 872 HG13 VAL 116 HG13 VAL 116 3.350 4.611 -1.557 873 HG21 VAL 116 HG21 VAL 116 0.077 7.221 -2.609 874 HG22 VAL 116 HG22 VAL 116 0.167 5.643 -3.393 875 HG23 VAL 116 HG23 VAL 116 1.362 6.886 -3.772 876 H THR 117 H THR 117 1.585 7.078 1.073 877 HA THR 117 HA THR 117 -1.084 8.344 1.415 878 HB THR 117 HB THR 117 -0.078 9.366 3.517 879 HG1 THR 117 HG1 THR 117 2.005 7.480 3.030 880 HG21 THR 117 HG21 THR 117 -0.230 7.306 4.875 881 HG22 THR 117 HG22 THR 117 -0.145 6.333 3.406 882 HG23 THR 117 HG23 THR 117 -1.532 7.389 3.685 883 H GLU 118 H GLU 118 -0.896 10.754 2.080 884 HA GLU 118 HA GLU 118 0.233 12.279 -0.048 885 HB2 GLU 118 HB2 GLU 118 -1.823 12.865 1.357 886 HB3 GLU 118 HB3 GLU 118 -0.724 13.336 2.650 887 HG2 GLU 118 HG2 GLU 118 0.256 15.063 1.183 888 HG3 GLU 118 HG3 GLU 118 -0.824 14.571 -0.118 889 H ASP 119 H ASP 119 1.352 11.384 3.143 890 HA ASP 119 HA ASP 119 3.638 13.017 3.426 891 HB2 ASP 119 HB2 ASP 119 2.630 11.608 5.222 892 HB3 ASP 119 HB3 ASP 119 3.169 10.159 4.381 893 H GLU 120 H GLU 120 3.032 10.201 1.434 894 HA GLU 120 HA GLU 120 5.870 9.787 0.749 895 HB2 GLU 120 HB2 GLU 120 3.391 8.120 0.135 896 HB3 GLU 120 HB3 GLU 120 5.044 7.681 -0.306 897 HG2 GLU 120 HG2 GLU 120 5.665 7.570 2.065 898 HG3 GLU 120 HG3 GLU 120 4.037 8.067 2.530 899 H LEU 121 H LEU 121 3.476 11.742 -0.408 900 HA LEU 121 HA LEU 121 4.497 11.611 -3.202 901 HB2 LEU 121 HB2 LEU 121 1.686 12.366 -2.294 902 HB3 LEU 121 HB3 LEU 121 2.270 12.477 -3.950 903 HG LEU 121 HG LEU 121 1.938 9.892 -2.366 904 HD11 LEU 121 HD11 LEU 121 -0.221 10.895 -2.959 905 HD12 LEU 121 HD12 LEU 121 0.062 9.415 -3.868 906 HD13 LEU 121 HD13 LEU 121 0.266 10.984 -4.655 907 HD21 LEU 121 HD21 LEU 121 2.407 8.729 -4.493 908 HD22 LEU 121 HD22 LEU 121 3.781 9.705 -3.981 909 HD23 LEU 121 HD23 LEU 121 2.731 10.280 -5.279 910 H SER 122 H SER 122 5.105 13.522 -4.131 911 HA SER 122 HA SER 122 4.505 16.128 -2.835 912 HB2 SER 122 HB2 SER 122 6.796 16.902 -3.545 913 HB3 SER 122 HB3 SER 122 6.880 15.581 -2.389 914 HG SER 122 HG SER 122 6.847 14.679 -4.969 915 H ALA 123 H ALA 123 3.418 17.466 -4.317 916 HA ALA 123 HA ALA 123 2.899 16.267 -6.923 917 HB1 ALA 123 HB1 ALA 123 1.027 17.853 -7.062 918 HB2 ALA 123 HB2 ALA 123 1.588 18.652 -5.592 919 HB3 ALA 123 HB3 ALA 123 1.016 16.985 -5.523 920 H LYS 124 H LYS 124 4.460 16.701 -8.368 921 HA LYS 124 HA LYS 124 5.497 17.653 -10.088 922 HB2 LYS 124 HB2 LYS 124 3.325 18.623 -10.601 923 HB3 LYS 124 HB3 LYS 124 3.672 20.017 -9.588 924 HG2 LYS 124 HG2 LYS 124 3.956 20.588 -11.953 925 HG3 LYS 124 HG3 LYS 124 5.504 20.690 -11.108 926 HD2 LYS 124 HD2 LYS 124 6.074 18.396 -11.980 927 HD3 LYS 124 HD3 LYS 124 4.565 18.412 -12.905 928 HE2 LYS 124 HE2 LYS 124 6.903 20.329 -13.232 929 HE3 LYS 124 HE3 LYS 124 6.466 19.022 -14.333 930 HZ1 LYS 124 HZ1 LYS 124 4.332 20.192 -14.701 931 HZ2 LYS 124 HZ2 LYS 124 5.673 21.075 -15.213 932 HZ3 LYS 124 HZ3 LYS 124 4.898 21.483 -13.768 933 H LEU 125 H LEU 125 5.315 20.304 -7.624 934 HA LEU 125 HA LEU 125 7.335 21.890 -8.656 935 HB2 LEU 125 HB2 LEU 125 7.198 23.230 -6.728 936 HB3 LEU 125 HB3 LEU 125 5.601 22.533 -6.899 937 HG LEU 125 HG LEU 125 7.708 21.642 -4.876 938 HD11 LEU 125 HD11 LEU 125 6.263 22.669 -3.179 939 HD12 LEU 125 HD12 LEU 125 5.171 23.247 -4.440 940 HD13 LEU 125 HD13 LEU 125 6.824 23.859 -4.352 941 HD21 LEU 125 HD21 LEU 125 5.927 20.290 -3.836 942 HD22 LEU 125 HD22 LEU 125 6.260 19.749 -5.478 943 HD23 LEU 125 HD23 LEU 125 4.820 20.716 -5.146 944 H GLU 126 H GLU 126 9.462 22.239 -8.271 945 HA GLU 126 HA GLU 126 11.639 21.843 -7.885 946 HB2 GLU 126 HB2 GLU 126 10.630 20.709 -5.241 947 HB3 GLU 126 HB3 GLU 126 12.295 21.181 -5.572 948 HG2 GLU 126 HG2 GLU 126 9.875 23.016 -5.468 949 HG3 GLU 126 HG3 GLU 126 11.157 22.896 -4.266 950 H HIS 127 H HIS 127 10.108 19.624 -9.198 951 HA HIS 127 HA HIS 127 11.011 17.071 -8.612 952 HB2 HIS 127 HB2 HIS 127 10.698 16.575 -11.060 953 HB3 HIS 127 HB3 HIS 127 9.346 17.419 -10.317 954 HD1 HIS 127 HD1 HIS 127 8.899 19.868 -11.062 955 HD2 HIS 127 HD2 HIS 127 12.027 18.017 -13.084 956 HE1 HIS 127 HE1 HIS 127 9.427 21.363 -13.006 957 HE2 HIS 127 HE2 HIS 127 11.430 20.321 -14.102 958 H HIS 128 H HIS 128 12.702 15.702 -9.599 959 HA HIS 128 HA HIS 128 14.892 15.111 -9.747 960 HB2 HIS 128 HB2 HIS 128 15.242 16.785 -11.542 961 HB3 HIS 128 HB3 HIS 128 15.533 18.032 -10.345 962 HD1 HIS 128 HD1 HIS 128 17.907 18.276 -9.489 963 HD2 HIS 128 HD2 HIS 128 17.379 14.818 -11.733 964 HE1 HIS 128 HE1 HIS 128 20.204 17.323 -9.789 965 HE2 HIS 128 HE2 HIS 128 19.874 15.303 -11.242 966 H HIS 129 H HIS 129 13.457 16.797 -7.418 967 HA HIS 129 HA HIS 129 15.464 17.411 -5.504 968 HB2 HIS 129 HB2 HIS 129 13.152 18.263 -5.344 969 HB3 HIS 129 HB3 HIS 129 12.527 16.633 -5.166 970 HD1 HIS 129 HD1 HIS 129 11.938 16.098 -2.828 971 HD2 HIS 129 HD2 HIS 129 14.987 18.917 -3.014 972 HE1 HIS 129 HE1 HIS 129 12.387 16.760 -0.450 973 HE2 HIS 129 HE2 HIS 129 14.345 18.326 -0.578 974 H HIS 130 H HIS 130 16.975 15.768 -5.261 975 HA HIS 130 HA HIS 130 16.396 12.998 -5.167 976 HB2 HIS 130 HB2 HIS 130 18.749 12.693 -4.570 977 HB3 HIS 130 HB3 HIS 130 18.602 13.902 -5.834 978 HD1 HIS 130 HD1 HIS 130 19.275 16.345 -5.228 979 HD2 HIS 130 HD2 HIS 130 19.789 13.627 -2.126 980 HE1 HIS 130 HE1 HIS 130 20.643 17.542 -3.505 981 HE2 HIS 130 HE2 HIS 130 21.115 15.810 -1.748 982 H HIS 131 H HIS 131 16.375 11.515 -3.465 983 HA HIS 131 HA HIS 131 16.413 12.316 -0.687 984 HB2 HIS 131 HB2 HIS 131 14.001 11.565 -0.274 985 HB3 HIS 131 HB3 HIS 131 14.193 13.112 -1.084 986 HD1 HIS 131 HD1 HIS 131 13.136 13.376 -3.366 987 HD2 HIS 131 HD2 HIS 131 13.039 9.453 -2.006 988 HE1 HIS 131 HE1 HIS 131 11.643 12.155 -4.964 989 HE2 HIS 131 HE2 HIS 131 11.497 9.821 -4.049 990 H HIS 132 H HIS 132 16.172 10.533 0.787 991 HA HIS 132 HA HIS 132 17.686 8.287 -0.047 992 HB2 HIS 132 HB2 HIS 132 16.142 8.600 2.566 993 HB3 HIS 132 HB3 HIS 132 17.492 7.505 2.273 994 HD1 HIS 132 HD1 HIS 132 16.693 10.874 3.422 995 HD2 HIS 132 HD2 HIS 132 20.042 8.951 1.884 996 HE1 HIS 132 HE1 HIS 132 18.632 12.341 4.014 997 HE2 HIS 132 HE2 HIS 132 20.606 11.274 2.888 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -4.531 17.369 -1.291 2 H2 MET 1 H2 MET 1 -5.814 16.270 -1.335 3 H3 MET 1 H3 MET 1 -6.023 17.831 -1.942 4 HA MET 1 HA MET 1 -4.490 17.437 -3.717 5 HB2 MET 1 HB2 MET 1 -3.019 15.880 -2.414 6 HB3 MET 1 HB3 MET 1 -4.239 14.622 -2.561 7 HG2 MET 1 HG2 MET 1 -2.483 14.228 -4.174 8 HG3 MET 1 HG3 MET 1 -3.954 14.686 -5.033 9 HE1 MET 1 HE1 MET 1 -1.386 17.039 -3.088 10 HE2 MET 1 HE2 MET 1 -0.328 17.504 -4.421 11 HE3 MET 1 HE3 MET 1 -0.369 15.829 -3.874 12 H LYS 2 H LYS 2 -5.875 17.442 -5.410 13 HA LYS 2 HA LYS 2 -8.422 16.090 -5.303 14 HB2 LYS 2 HB2 LYS 2 -7.141 17.827 -7.445 15 HB3 LYS 2 HB3 LYS 2 -8.770 17.172 -7.573 16 HG2 LYS 2 HG2 LYS 2 -9.412 18.440 -5.532 17 HG3 LYS 2 HG3 LYS 2 -7.788 19.129 -5.475 18 HD2 LYS 2 HD2 LYS 2 -9.257 20.759 -6.489 19 HD3 LYS 2 HD3 LYS 2 -8.184 20.143 -7.741 20 HE2 LYS 2 HE2 LYS 2 -11.030 19.143 -7.341 21 HE3 LYS 2 HE3 LYS 2 -10.613 20.462 -8.431 22 HZ1 LYS 2 HZ1 LYS 2 -9.109 18.839 -9.580 23 HZ2 LYS 2 HZ2 LYS 2 -10.761 18.510 -9.715 24 HZ3 LYS 2 HZ3 LYS 2 -9.813 17.613 -8.643 25 H VAL 3 H VAL 3 -9.255 14.569 -6.770 26 HA VAL 3 HA VAL 3 -7.571 12.716 -8.107 27 HB VAL 3 HB VAL 3 -10.537 13.280 -8.581 28 HG11 VAL 3 HG11 VAL 3 -9.572 11.989 -10.433 29 HG12 VAL 3 HG12 VAL 3 -10.640 10.966 -9.472 30 HG13 VAL 3 HG13 VAL 3 -8.890 10.825 -9.294 31 HG21 VAL 3 HG21 VAL 3 -10.113 12.714 -6.220 32 HG22 VAL 3 HG22 VAL 3 -9.238 11.260 -6.705 33 HG23 VAL 3 HG23 VAL 3 -10.969 11.396 -7.025 34 H GLY 4 H GLY 4 -6.589 12.912 -10.012 35 HA2 GLY 4 HA2 GLY 4 -6.421 13.512 -12.331 36 HA3 GLY 4 HA3 GLY 4 -7.410 14.929 -12.026 37 H SER 5 H SER 5 -5.394 14.970 -9.469 38 HA SER 5 HA SER 5 -3.767 17.094 -10.545 39 HB2 SER 5 HB2 SER 5 -3.717 15.764 -7.797 40 HB3 SER 5 HB3 SER 5 -2.826 17.229 -8.224 41 HG SER 5 HG SER 5 -4.636 18.055 -7.433 42 H GLN 6 H GLN 6 -1.613 17.107 -11.032 43 HA GLN 6 HA GLN 6 -0.271 14.510 -11.455 44 HB2 GLN 6 HB2 GLN 6 0.375 17.282 -12.559 45 HB3 GLN 6 HB3 GLN 6 1.185 15.783 -13.021 46 HG2 GLN 6 HG2 GLN 6 -0.840 14.923 -14.040 47 HG3 GLN 6 HG3 GLN 6 -1.793 16.264 -13.417 48 HE21 GLN 6 HE21 GLN 6 -1.554 18.316 -14.382 49 HE22 GLN 6 HE22 GLN 6 -0.896 18.496 -15.967 50 H VAL 7 H VAL 7 1.502 13.921 -10.262 51 HA VAL 7 HA VAL 7 2.632 15.841 -8.305 52 HB VAL 7 HB VAL 7 2.476 14.094 -6.514 53 HG11 VAL 7 HG11 VAL 7 0.064 14.350 -6.034 54 HG12 VAL 7 HG12 VAL 7 -0.218 14.874 -7.696 55 HG13 VAL 7 HG13 VAL 7 0.768 15.862 -6.615 56 HG21 VAL 7 HG21 VAL 7 2.341 12.060 -7.908 57 HG22 VAL 7 HG22 VAL 7 0.752 12.550 -8.497 58 HG23 VAL 7 HG23 VAL 7 0.973 12.141 -6.794 59 H ILE 8 H ILE 8 4.685 15.391 -7.516 60 HA ILE 8 HA ILE 8 6.383 13.450 -8.929 61 HB ILE 8 HB ILE 8 7.169 15.662 -6.969 62 HG12 ILE 8 HG12 ILE 8 6.104 16.609 -9.030 63 HG13 ILE 8 HG13 ILE 8 7.810 17.031 -8.916 64 HG21 ILE 8 HG21 ILE 8 8.922 14.013 -8.842 65 HG22 ILE 8 HG22 ILE 8 8.883 13.908 -7.081 66 HG23 ILE 8 HG23 ILE 8 9.473 15.375 -7.860 67 HD11 ILE 8 HD11 ILE 8 7.187 16.478 -11.187 68 HD12 ILE 8 HD12 ILE 8 6.631 14.884 -10.680 69 HD13 ILE 8 HD13 ILE 8 8.345 15.300 -10.570 70 H ILE 9 H ILE 9 6.991 11.557 -7.940 71 HA ILE 9 HA ILE 9 6.056 10.970 -5.228 72 HB ILE 9 HB ILE 9 7.425 9.116 -7.233 73 HG12 ILE 9 HG12 ILE 9 4.426 9.548 -6.791 74 HG13 ILE 9 HG13 ILE 9 5.332 10.120 -8.186 75 HG21 ILE 9 HG21 ILE 9 5.736 8.465 -4.781 76 HG22 ILE 9 HG22 ILE 9 7.483 8.254 -4.925 77 HG23 ILE 9 HG23 ILE 9 6.397 7.288 -5.919 78 HD11 ILE 9 HD11 ILE 9 5.796 7.787 -8.816 79 HD12 ILE 9 HD12 ILE 9 4.072 8.139 -8.731 80 HD13 ILE 9 HD13 ILE 9 4.846 7.239 -7.430 81 H ASN 10 H ASN 10 7.350 10.992 -3.461 82 HA ASN 10 HA ASN 10 10.272 11.362 -3.737 83 HB2 ASN 10 HB2 ASN 10 8.473 11.790 -1.308 84 HB3 ASN 10 HB3 ASN 10 10.184 12.211 -1.415 85 HD21 ASN 10 HD21 ASN 10 6.983 12.965 -2.577 86 HD22 ASN 10 HD22 ASN 10 7.345 14.544 -3.154 87 H THR 11 H THR 11 8.088 9.643 -1.460 88 HA THR 11 HA THR 11 10.060 7.491 -1.048 89 HB THR 11 HB THR 11 7.418 8.127 0.349 90 HG1 THR 11 HG1 THR 11 8.846 8.472 2.128 91 HG21 THR 11 HG21 THR 11 9.305 5.804 0.918 92 HG22 THR 11 HG22 THR 11 7.647 5.669 0.314 93 HG23 THR 11 HG23 THR 11 7.948 6.287 1.942 94 H SER 12 H SER 12 9.626 5.331 -1.631 95 HA SER 12 HA SER 12 7.122 4.642 -2.975 96 HB2 SER 12 HB2 SER 12 8.157 3.940 -5.044 97 HB3 SER 12 HB3 SER 12 8.645 5.606 -4.748 98 HG SER 12 HG SER 12 10.626 4.712 -3.865 99 H HIS 13 H HIS 13 6.646 2.508 -2.898 100 HA HIS 13 HA HIS 13 8.385 0.668 -1.418 101 HB2 HIS 13 HB2 HIS 13 5.512 0.311 -2.399 102 HB3 HIS 13 HB3 HIS 13 6.372 -0.763 -1.290 103 HD2 HIS 13 HD2 HIS 13 4.462 2.622 -1.242 104 HE1 HIS 13 HE1 HIS 13 5.931 1.892 2.649 105 HE2 HIS 13 HE2 HIS 13 4.551 3.441 1.199 106 H MET 14 H MET 14 7.213 1.229 -4.679 107 HA MET 14 HA MET 14 8.649 -1.113 -5.752 108 HB2 MET 14 HB2 MET 14 7.041 1.038 -7.216 109 HB3 MET 14 HB3 MET 14 7.737 -0.405 -7.954 110 HG2 MET 14 HG2 MET 14 5.512 -0.319 -5.902 111 HG3 MET 14 HG3 MET 14 5.363 -0.718 -7.616 112 HE1 MET 14 HE1 MET 14 4.072 -3.018 -7.021 113 HE2 MET 14 HE2 MET 14 4.172 -2.587 -5.312 114 HE3 MET 14 HE3 MET 14 4.690 -4.185 -5.852 115 H LYS 15 H LYS 15 10.628 -0.916 -6.791 116 HA LYS 15 HA LYS 15 12.357 1.184 -6.100 117 HB2 LYS 15 HB2 LYS 15 13.099 -1.122 -6.545 118 HB3 LYS 15 HB3 LYS 15 12.685 -0.952 -8.247 119 HG2 LYS 15 HG2 LYS 15 14.441 0.756 -8.516 120 HG3 LYS 15 HG3 LYS 15 14.835 0.632 -6.799 121 HD2 LYS 15 HD2 LYS 15 15.496 -1.744 -7.142 122 HD3 LYS 15 HD3 LYS 15 15.126 -1.591 -8.863 123 HE2 LYS 15 HE2 LYS 15 17.554 -1.381 -8.402 124 HE3 LYS 15 HE3 LYS 15 16.892 0.085 -9.124 125 HZ1 LYS 15 HZ1 LYS 15 16.847 1.118 -6.958 126 HZ2 LYS 15 HZ2 LYS 15 18.406 0.542 -7.272 127 HZ3 LYS 15 HZ3 LYS 15 17.392 -0.304 -6.219 128 H GLY 16 H GLY 16 10.782 0.528 -9.250 129 HA2 GLY 16 HA2 GLY 16 11.960 2.765 -10.631 130 HA3 GLY 16 HA3 GLY 16 10.660 1.744 -11.208 131 H MET 17 H MET 17 9.703 2.919 -8.225 132 HA MET 17 HA MET 17 7.877 4.830 -9.527 133 HB2 MET 17 HB2 MET 17 6.854 3.045 -8.189 134 HB3 MET 17 HB3 MET 17 7.771 3.533 -6.771 135 HG2 MET 17 HG2 MET 17 6.500 5.517 -6.509 136 HG3 MET 17 HG3 MET 17 5.837 5.405 -8.137 137 HE1 MET 17 HE1 MET 17 6.144 2.459 -5.513 138 HE2 MET 17 HE2 MET 17 4.569 2.550 -4.730 139 HE3 MET 17 HE3 MET 17 5.744 3.844 -4.495 140 H LYS 18 H LYS 18 10.584 4.762 -7.310 141 HA LYS 18 HA LYS 18 10.207 7.276 -6.045 142 HB2 LYS 18 HB2 LYS 18 11.761 5.417 -5.277 143 HB3 LYS 18 HB3 LYS 18 12.872 5.892 -6.551 144 HG2 LYS 18 HG2 LYS 18 13.072 8.144 -5.517 145 HG3 LYS 18 HG3 LYS 18 11.972 7.637 -4.232 146 HD2 LYS 18 HD2 LYS 18 13.626 5.848 -3.597 147 HD3 LYS 18 HD3 LYS 18 14.733 6.487 -4.818 148 HE2 LYS 18 HE2 LYS 18 13.716 7.965 -2.360 149 HE3 LYS 18 HE3 LYS 18 15.339 7.316 -2.596 150 HZ1 LYS 18 HZ1 LYS 18 14.084 9.493 -4.183 151 HZ2 LYS 18 HZ2 LYS 18 15.626 8.858 -4.454 152 HZ3 LYS 18 HZ3 LYS 18 15.290 9.681 -3.012 153 H GLY 19 H GLY 19 10.343 9.248 -6.877 154 HA2 GLY 19 HA2 GLY 19 11.200 11.093 -8.002 155 HA3 GLY 19 HA3 GLY 19 12.375 10.066 -8.801 156 H ALA 20 H ALA 20 9.380 8.656 -9.251 157 HA ALA 20 HA ALA 20 9.183 9.474 -12.019 158 HB1 ALA 20 HB1 ALA 20 7.347 7.698 -10.364 159 HB2 ALA 20 HB2 ALA 20 8.716 7.156 -11.338 160 HB3 ALA 20 HB3 ALA 20 7.311 7.875 -12.122 161 H GLU 21 H GLU 21 7.489 10.637 -13.000 162 HA GLU 21 HA GLU 21 5.982 12.468 -11.235 163 HB2 GLU 21 HB2 GLU 21 7.374 13.461 -13.054 164 HB3 GLU 21 HB3 GLU 21 6.411 12.604 -14.251 165 HG2 GLU 21 HG2 GLU 21 4.423 13.887 -13.622 166 HG3 GLU 21 HG3 GLU 21 5.318 14.691 -12.333 167 H ALA 22 H ALA 22 4.184 11.432 -10.587 168 HA ALA 22 HA ALA 22 2.623 9.714 -12.368 169 HB1 ALA 22 HB1 ALA 22 3.167 8.918 -10.103 170 HB2 ALA 22 HB2 ALA 22 1.424 9.064 -10.322 171 HB3 ALA 22 HB3 ALA 22 2.302 10.288 -9.400 172 H THR 23 H THR 23 0.194 9.838 -12.046 173 HA THR 23 HA THR 23 -0.922 12.521 -11.517 174 HB THR 23 HB THR 23 -1.807 10.750 -13.856 175 HG1 THR 23 HG1 THR 23 -1.033 12.587 -15.110 176 HG21 THR 23 HG21 THR 23 -3.705 12.005 -12.875 177 HG22 THR 23 HG22 THR 23 -3.291 12.645 -14.467 178 HG23 THR 23 HG23 THR 23 -2.789 13.509 -13.012 179 H VAL 24 H VAL 24 -2.863 12.420 -10.386 180 HA VAL 24 HA VAL 24 -3.420 9.908 -9.006 181 HB VAL 24 HB VAL 24 -4.581 12.701 -8.569 182 HG11 VAL 24 HG11 VAL 24 -5.400 11.844 -6.387 183 HG12 VAL 24 HG12 VAL 24 -4.861 10.221 -6.827 184 HG13 VAL 24 HG13 VAL 24 -6.151 11.002 -7.745 185 HG21 VAL 24 HG21 VAL 24 -3.090 12.801 -6.584 186 HG22 VAL 24 HG22 VAL 24 -2.166 12.625 -8.077 187 HG23 VAL 24 HG23 VAL 24 -2.406 11.232 -7.018 188 H THR 25 H THR 25 -5.015 8.549 -9.671 189 HA THR 25 HA THR 25 -7.417 9.617 -11.044 190 HB THR 25 HB THR 25 -7.790 7.124 -11.682 191 HG1 THR 25 HG1 THR 25 -5.020 6.772 -11.544 192 HG21 THR 25 HG21 THR 25 -7.146 8.832 -13.346 193 HG22 THR 25 HG22 THR 25 -6.350 7.291 -13.676 194 HG23 THR 25 HG23 THR 25 -5.446 8.606 -12.926 195 H GLY 26 H GLY 26 -6.456 8.583 -7.960 196 HA2 GLY 26 HA2 GLY 26 -9.257 8.448 -7.157 197 HA3 GLY 26 HA3 GLY 26 -8.311 6.995 -6.860 198 H ALA 27 H ALA 27 -9.557 9.329 -5.195 199 HA ALA 27 HA ALA 27 -7.272 9.617 -3.311 200 HB1 ALA 27 HB1 ALA 27 -8.326 11.694 -2.488 201 HB2 ALA 27 HB2 ALA 27 -9.623 11.522 -3.675 202 HB3 ALA 27 HB3 ALA 27 -7.968 11.807 -4.215 203 H TYR 28 H TYR 28 -7.549 8.117 -1.755 204 HA TYR 28 HA TYR 28 -10.269 7.384 -0.809 205 HB2 TYR 28 HB2 TYR 28 -7.661 5.799 -0.675 206 HB3 TYR 28 HB3 TYR 28 -9.209 5.252 -0.047 207 HD1 TYR 28 HD1 TYR 28 -7.683 6.421 -3.309 208 HD2 TYR 28 HD2 TYR 28 -10.469 3.794 -1.402 209 HE1 TYR 28 HE1 TYR 28 -8.104 5.304 -5.461 210 HE2 TYR 28 HE2 TYR 28 -10.885 2.678 -3.546 211 HH TYR 28 HH TYR 28 -10.700 3.195 -5.984 212 H ASP 29 H ASP 29 -10.787 8.193 1.138 213 HA ASP 29 HA ASP 29 -8.725 8.767 3.188 214 HB2 ASP 29 HB2 ASP 29 -10.280 10.622 2.602 215 HB3 ASP 29 HB3 ASP 29 -11.662 9.611 3.006 216 H THR 30 H THR 30 -8.339 6.617 3.862 217 HA THR 30 HA THR 30 -10.509 5.256 5.351 218 HB THR 30 HB THR 30 -10.469 4.207 3.117 219 HG1 THR 30 HG1 THR 30 -9.449 2.043 4.290 220 HG21 THR 30 HG21 THR 30 -8.117 4.621 2.493 221 HG22 THR 30 HG22 THR 30 -8.525 2.912 2.333 222 HG23 THR 30 HG23 THR 30 -7.580 3.464 3.717 223 H THR 31 H THR 31 -9.607 3.291 6.593 224 HA THR 31 HA THR 31 -7.228 3.978 8.120 225 HB THR 31 HB THR 31 -9.020 1.505 8.323 226 HG1 THR 31 HG1 THR 31 -10.282 3.198 8.903 227 HG21 THR 31 HG21 THR 31 -7.004 2.613 10.323 228 HG22 THR 31 HG22 THR 31 -6.795 1.143 9.367 229 HG23 THR 31 HG23 THR 31 -8.066 1.229 10.588 230 H ALA 32 H ALA 32 -5.213 3.248 7.669 231 HA ALA 32 HA ALA 32 -4.791 0.918 5.884 232 HB1 ALA 32 HB1 ALA 32 -2.763 2.041 5.046 233 HB2 ALA 32 HB2 ALA 32 -3.098 3.436 6.078 234 HB3 ALA 32 HB3 ALA 32 -4.201 3.027 4.763 235 H TYR 33 H TYR 33 -3.785 -0.730 6.864 236 HA TYR 33 HA TYR 33 -2.584 -0.399 9.514 237 HB2 TYR 33 HB2 TYR 33 -3.419 -2.903 7.985 238 HB3 TYR 33 HB3 TYR 33 -2.697 -2.926 9.593 239 HD1 TYR 33 HD1 TYR 33 -3.927 -1.431 11.409 240 HD2 TYR 33 HD2 TYR 33 -5.795 -2.865 7.841 241 HE1 TYR 33 HE1 TYR 33 -6.135 -1.123 12.438 242 HE2 TYR 33 HE2 TYR 33 -7.998 -2.550 8.881 243 HH TYR 33 HH TYR 33 -8.958 -2.433 11.197 244 H VAL 34 H VAL 34 -0.585 -1.082 10.084 245 HA VAL 34 HA VAL 34 1.427 -1.730 8.015 246 HB VAL 34 HB VAL 34 1.830 -0.976 10.961 247 HG11 VAL 34 HG11 VAL 34 3.859 -1.123 8.698 248 HG12 VAL 34 HG12 VAL 34 3.724 -2.254 10.047 249 HG13 VAL 34 HG13 VAL 34 4.190 -0.580 10.347 250 HG21 VAL 34 HG21 VAL 34 0.800 0.900 9.743 251 HG22 VAL 34 HG22 VAL 34 2.060 0.816 8.510 252 HG23 VAL 34 HG23 VAL 34 2.472 1.277 10.163 253 H VAL 35 H VAL 35 1.703 -3.936 7.735 254 HA VAL 35 HA VAL 35 1.054 -5.760 10.016 255 HB VAL 35 HB VAL 35 0.383 -7.472 8.336 256 HG11 VAL 35 HG11 VAL 35 -1.759 -6.428 7.643 257 HG12 VAL 35 HG12 VAL 35 -1.111 -4.835 8.043 258 HG13 VAL 35 HG13 VAL 35 -1.350 -6.035 9.314 259 HG21 VAL 35 HG21 VAL 35 0.053 -6.844 5.944 260 HG22 VAL 35 HG22 VAL 35 1.751 -6.769 6.413 261 HG23 VAL 35 HG23 VAL 35 0.818 -5.281 6.256 262 H SER 36 H SER 36 2.092 -7.901 9.979 263 HA SER 36 HA SER 36 4.684 -8.100 8.557 264 HB2 SER 36 HB2 SER 36 5.723 -9.066 10.617 265 HB3 SER 36 HB3 SER 36 5.204 -7.401 10.867 266 HG SER 36 HG SER 36 3.544 -8.086 12.106 267 H TYR 37 H TYR 37 4.878 -10.066 7.516 268 HA TYR 37 HA TYR 37 3.294 -12.377 8.317 269 HB2 TYR 37 HB2 TYR 37 2.020 -12.557 6.213 270 HB3 TYR 37 HB3 TYR 37 1.625 -11.065 7.047 271 HD1 TYR 37 HD2 TYR 37 2.443 -8.861 6.127 272 HD2 TYR 37 HD1 TYR 37 3.019 -12.514 3.980 273 HE1 TYR 37 HE2 TYR 37 2.869 -7.593 4.072 274 HE2 TYR 37 HE1 TYR 37 3.450 -11.238 1.927 275 HH TYR 37 HH TYR 37 3.992 -7.859 1.931 276 H THR 38 H THR 38 3.792 -14.285 7.165 277 HA THR 38 HA THR 38 6.368 -14.234 5.688 278 HB THR 38 HB THR 38 5.060 -16.632 7.066 279 HG1 THR 38 HG1 THR 38 6.698 -16.369 8.611 280 HG21 THR 38 HG21 THR 38 7.804 -16.368 5.762 281 HG22 THR 38 HG22 THR 38 6.451 -17.305 5.123 282 HG23 THR 38 HG23 THR 38 7.219 -17.781 6.639 283 HA PRO 39 HA PRO 39 3.565 -14.900 2.114 284 HB2 PRO 39 HB2 PRO 39 5.638 -15.411 0.291 285 HB3 PRO 39 HB3 PRO 39 5.019 -13.809 0.694 286 HG2 PRO 39 HG2 PRO 39 7.421 -15.258 1.791 287 HG3 PRO 39 HG3 PRO 39 7.262 -13.554 1.306 288 HD2 PRO 39 HD2 PRO 39 7.191 -14.232 3.893 289 HD3 PRO 39 HD3 PRO 39 6.100 -12.970 3.274 290 H THR 40 H THR 40 2.556 -16.728 1.501 291 HA THR 40 HA THR 40 3.203 -19.302 2.466 292 HB THR 40 HB THR 40 1.275 -20.110 1.115 293 HG1 THR 40 HG1 THR 40 0.911 -19.077 -0.694 294 HG21 THR 40 HG21 THR 40 -0.485 -18.682 2.094 295 HG22 THR 40 HG22 THR 40 0.703 -17.426 2.437 296 HG23 THR 40 HG23 THR 40 0.796 -18.979 3.272 297 H ASN 41 H ASN 41 4.219 -17.691 -0.430 298 HA ASN 41 HA ASN 41 5.019 -19.796 -2.086 299 HB2 ASN 41 HB2 ASN 41 4.977 -17.396 -2.725 300 HB3 ASN 41 HB3 ASN 41 6.307 -17.064 -1.625 301 HD21 ASN 41 HD21 ASN 41 5.403 -18.534 -4.667 302 HD22 ASN 41 HD22 ASN 41 7.000 -18.622 -5.309 303 H GLY 42 H GLY 42 6.259 -19.009 1.041 304 HA2 GLY 42 HA2 GLY 42 7.943 -19.962 2.294 305 HA3 GLY 42 HA3 GLY 42 8.424 -20.923 0.902 306 H GLY 43 H GLY 43 8.379 -17.513 1.954 307 HA2 GLY 43 HA2 GLY 43 11.054 -17.076 0.711 308 HA3 GLY 43 HA3 GLY 43 9.727 -15.945 0.495 309 H GLN 44 H GLN 44 10.989 -14.290 1.354 310 HA GLN 44 HA GLN 44 11.947 -14.360 4.114 311 HB2 GLN 44 HB2 GLN 44 12.570 -11.946 3.713 312 HB3 GLN 44 HB3 GLN 44 13.301 -13.069 2.577 313 HG2 GLN 44 HG2 GLN 44 11.726 -12.417 0.833 314 HG3 GLN 44 HG3 GLN 44 10.840 -11.398 1.965 315 HE21 GLN 44 HE21 GLN 44 11.739 -9.410 2.587 316 HE22 GLN 44 HE22 GLN 44 13.027 -8.674 1.709 317 H ARG 45 H ARG 45 10.679 -13.875 5.878 318 HA ARG 45 HA ARG 45 8.016 -13.081 5.813 319 HB2 ARG 45 HB2 ARG 45 9.051 -14.037 7.858 320 HB3 ARG 45 HB3 ARG 45 10.022 -12.582 8.076 321 HG2 ARG 45 HG2 ARG 45 7.867 -11.276 8.330 322 HG3 ARG 45 HG3 ARG 45 6.993 -12.807 8.296 323 HD2 ARG 45 HD2 ARG 45 9.111 -12.082 10.357 324 HD3 ARG 45 HD3 ARG 45 7.377 -11.872 10.596 325 HE ARG 45 HE ARG 45 7.899 -14.558 9.917 326 HH11 ARG 45 HH11 ARG 45 8.422 -12.381 12.581 327 HH12 ARG 45 HH12 ARG 45 8.348 -13.645 13.753 328 HH21 ARG 45 HH21 ARG 45 7.848 -16.143 11.452 329 HH22 ARG 45 HH22 ARG 45 8.030 -15.745 13.121 330 H VAL 46 H VAL 46 7.198 -11.279 5.007 331 HA VAL 46 HA VAL 46 8.690 -8.813 4.717 332 HB VAL 46 HB VAL 46 5.739 -9.251 4.074 333 HG11 VAL 46 HG11 VAL 46 7.760 -7.297 2.898 334 HG12 VAL 46 HG12 VAL 46 6.479 -6.893 4.043 335 HG13 VAL 46 HG13 VAL 46 6.065 -7.450 2.422 336 HG21 VAL 46 HG21 VAL 46 7.010 -11.034 2.959 337 HG22 VAL 46 HG22 VAL 46 8.101 -9.842 2.250 338 HG23 VAL 46 HG23 VAL 46 6.402 -9.873 1.776 339 H ASP 47 H ASP 47 8.913 -7.574 6.512 340 HA ASP 47 HA ASP 47 6.764 -7.473 8.558 341 HB2 ASP 47 HB2 ASP 47 9.710 -6.726 8.811 342 HB3 ASP 47 HB3 ASP 47 8.510 -6.563 10.100 343 H HIS 48 H HIS 48 6.102 -5.479 9.370 344 HA HIS 48 HA HIS 48 5.422 -3.319 9.309 345 HB2 HIS 48 HB2 HIS 48 8.253 -2.769 8.305 346 HB3 HIS 48 HB3 HIS 48 7.183 -1.616 9.100 347 HD1 HIS 48 HD1 HIS 48 9.669 -4.259 9.811 348 HD2 HIS 48 HD2 HIS 48 6.749 -2.205 11.897 349 HE1 HIS 48 HE1 HIS 48 10.164 -4.675 12.227 350 HE2 HIS 48 HE2 HIS 48 8.292 -3.549 13.467 351 H HIS 49 H HIS 49 4.892 -4.908 6.946 352 HA HIS 49 HA HIS 49 5.502 -3.662 4.494 353 HB2 HIS 49 HB2 HIS 49 4.783 -6.022 4.645 354 HB3 HIS 49 HB3 HIS 49 3.175 -5.516 5.150 355 HD2 HIS 49 HD2 HIS 49 1.469 -4.716 3.092 356 HE1 HIS 49 HE1 HIS 49 4.221 -5.409 -0.042 357 HE2 HIS 49 HE2 HIS 49 1.799 -4.949 0.529 358 H LYS 50 H LYS 50 4.681 -1.987 3.467 359 HA LYS 50 HA LYS 50 2.090 -0.809 4.215 360 HB2 LYS 50 HB2 LYS 50 4.753 0.639 3.839 361 HB3 LYS 50 HB3 LYS 50 3.200 1.455 3.982 362 HG2 LYS 50 HG2 LYS 50 2.936 0.676 6.272 363 HG3 LYS 50 HG3 LYS 50 4.390 -0.319 6.141 364 HD2 LYS 50 HD2 LYS 50 5.755 1.746 5.846 365 HD3 LYS 50 HD3 LYS 50 4.293 2.724 6.025 366 HE2 LYS 50 HE2 LYS 50 3.999 1.909 8.317 367 HE3 LYS 50 HE3 LYS 50 5.393 0.841 8.146 368 HZ1 LYS 50 HZ1 LYS 50 6.769 2.826 7.824 369 HZ2 LYS 50 HZ2 LYS 50 6.002 2.810 9.334 370 HZ3 LYS 50 HZ3 LYS 50 5.418 3.803 8.102 371 H TRP 51 H TRP 51 1.569 0.074 0.764 372 HA TRP 51 HA TRP 51 0.682 -0.087 3.584 373 HB2 TRP 51 HB2 TRP 51 -0.320 1.706 1.329 374 HB3 TRP 51 HB3 TRP 51 -1.044 1.622 2.935 375 HD1 TRP 51 HD1 TRP 51 1.958 3.076 1.082 376 HE1 TRP 51 HE1 TRP 51 3.236 4.662 2.647 377 HE3 TRP 51 HE3 TRP 51 -0.491 2.021 5.453 378 HZ2 TRP 51 HZ2 TRP 51 3.218 5.365 5.394 379 HZ3 TRP 51 HZ3 TRP 51 0.196 3.191 7.508 380 HH2 TRP 51 HH2 TRP 51 2.014 4.831 7.478 381 H VAL 52 H VAL 52 -0.922 -1.351 4.120 382 HA VAL 52 HA VAL 52 -2.784 -2.449 2.079 383 HB VAL 52 HB VAL 52 -3.262 -4.357 3.596 384 HG11 VAL 52 HG11 VAL 52 -1.186 -5.636 3.253 385 HG12 VAL 52 HG12 VAL 52 -0.307 -4.142 2.921 386 HG13 VAL 52 HG13 VAL 52 -1.590 -4.673 1.829 387 HG21 VAL 52 HG21 VAL 52 -1.850 -4.860 5.560 388 HG22 VAL 52 HG22 VAL 52 -2.696 -3.327 5.773 389 HG23 VAL 52 HG23 VAL 52 -0.985 -3.335 5.344 390 H ILE 53 H ILE 53 -5.013 -2.425 2.637 391 HA ILE 53 HA ILE 53 -5.713 -0.540 4.834 392 HB ILE 53 HB ILE 53 -7.712 0.094 3.544 393 HG12 ILE 53 HG12 ILE 53 -6.641 -1.759 1.358 394 HG13 ILE 53 HG13 ILE 53 -8.093 -2.036 2.312 395 HG21 ILE 53 HG21 ILE 53 -5.163 0.359 1.897 396 HG22 ILE 53 HG22 ILE 53 -5.643 1.403 3.238 397 HG23 ILE 53 HG23 ILE 53 -6.597 1.381 1.755 398 HD11 ILE 53 HD11 ILE 53 -9.109 -0.035 1.282 399 HD12 ILE 53 HD12 ILE 53 -8.662 -1.270 0.107 400 HD13 ILE 53 HD13 ILE 53 -7.654 0.164 0.298 401 H GLN 54 H GLN 54 -7.921 -0.854 5.764 402 HA GLN 54 HA GLN 54 -8.341 -3.279 6.983 403 HB2 GLN 54 HB2 GLN 54 -9.284 -1.080 7.675 404 HB3 GLN 54 HB3 GLN 54 -10.439 -1.165 6.350 405 HG2 GLN 54 HG2 GLN 54 -11.455 -3.178 7.389 406 HG3 GLN 54 HG3 GLN 54 -10.302 -3.061 8.719 407 HE21 GLN 54 HE21 GLN 54 -10.533 -1.346 10.216 408 HE22 GLN 54 HE22 GLN 54 -12.007 -0.470 10.359 409 H GLU 55 H GLU 55 -9.634 -2.254 3.849 410 HA GLU 55 HA GLU 55 -11.633 -4.299 3.601 411 HB2 GLU 55 HB2 GLU 55 -11.771 -2.055 2.531 412 HB3 GLU 55 HB3 GLU 55 -10.403 -2.464 1.505 413 HG2 GLU 55 HG2 GLU 55 -11.727 -4.233 0.422 414 HG3 GLU 55 HG3 GLU 55 -13.087 -3.885 1.486 415 H GLU 56 H GLU 56 -8.215 -4.285 3.078 416 HA GLU 56 HA GLU 56 -8.218 -6.453 1.081 417 HB2 GLU 56 HB2 GLU 56 -5.990 -4.768 2.308 418 HB3 GLU 56 HB3 GLU 56 -5.675 -6.132 1.236 419 HG2 GLU 56 HG2 GLU 56 -6.953 -5.019 -0.558 420 HG3 GLU 56 HG3 GLU 56 -7.255 -3.650 0.503 421 H ILE 57 H ILE 57 -8.618 -6.343 4.322 422 HA ILE 57 HA ILE 57 -7.212 -8.908 4.862 423 HB ILE 57 HB ILE 57 -7.920 -6.720 6.884 424 HG12 ILE 57 HG12 ILE 57 -5.152 -7.410 5.778 425 HG13 ILE 57 HG13 ILE 57 -6.075 -5.975 5.355 426 HG21 ILE 57 HG21 ILE 57 -6.292 -9.261 7.246 427 HG22 ILE 57 HG22 ILE 57 -7.918 -8.969 7.868 428 HG23 ILE 57 HG23 ILE 57 -6.561 -8.024 8.479 429 HD11 ILE 57 HD11 ILE 57 -5.917 -5.201 7.684 430 HD12 ILE 57 HD12 ILE 57 -4.332 -5.454 6.952 431 HD13 ILE 57 HD13 ILE 57 -4.973 -6.638 8.089 432 H LYS 58 H LYS 58 -8.648 -10.602 5.263 433 HA LYS 58 HA LYS 58 -11.476 -10.198 5.425 434 HB2 LYS 58 HB2 LYS 58 -11.573 -12.695 5.971 435 HB3 LYS 58 HB3 LYS 58 -10.868 -12.250 4.435 436 HG2 LYS 58 HG2 LYS 58 -8.669 -12.787 5.151 437 HG3 LYS 58 HG3 LYS 58 -9.146 -12.841 6.849 438 HD2 LYS 58 HD2 LYS 58 -10.066 -14.815 4.711 439 HD3 LYS 58 HD3 LYS 58 -8.777 -15.113 5.880 440 HE2 LYS 58 HE2 LYS 58 -10.459 -14.788 7.729 441 HE3 LYS 58 HE3 LYS 58 -11.722 -14.662 6.504 442 HZ1 LYS 58 HZ1 LYS 58 -9.978 -17.013 6.978 443 HZ2 LYS 58 HZ2 LYS 58 -11.180 -16.909 5.797 444 HZ3 LYS 58 HZ3 LYS 58 -11.599 -16.868 7.433 445 H ASP 59 H ASP 59 -9.161 -11.376 7.904 446 HA ASP 59 HA ASP 59 -11.076 -11.509 10.008 447 HB2 ASP 59 HB2 ASP 59 -8.040 -11.478 10.125 448 HB3 ASP 59 HB3 ASP 59 -9.087 -11.853 11.492 449 H ALA 60 H ALA 60 -9.669 -8.728 8.635 450 HA ALA 60 HA ALA 60 -9.329 -6.965 10.733 451 HB1 ALA 60 HB1 ALA 60 -9.908 -5.162 9.152 452 HB2 ALA 60 HB2 ALA 60 -10.571 -6.363 8.035 453 HB3 ALA 60 HB3 ALA 60 -8.852 -6.369 8.414 454 H GLY 61 H GLY 61 -12.388 -8.173 9.405 455 HA2 GLY 61 HA2 GLY 61 -14.446 -8.326 10.402 456 HA3 GLY 61 HA3 GLY 61 -13.710 -7.767 11.891 457 H ASP 62 H ASP 62 -13.417 -5.674 9.155 458 HA ASP 62 HA ASP 62 -13.996 -3.525 8.801 459 HB2 ASP 62 HB2 ASP 62 -16.707 -4.454 9.841 460 HB3 ASP 62 HB3 ASP 62 -16.437 -2.944 8.971 461 H LYS 63 H LYS 63 -12.940 -4.295 11.447 462 HA LYS 63 HA LYS 63 -13.817 -2.005 13.142 463 HB2 LYS 63 HB2 LYS 63 -13.282 -3.337 15.139 464 HB3 LYS 63 HB3 LYS 63 -14.456 -4.194 14.148 465 HG2 LYS 63 HG2 LYS 63 -12.699 -5.663 13.283 466 HG3 LYS 63 HG3 LYS 63 -11.479 -4.777 14.199 467 HD2 LYS 63 HD2 LYS 63 -12.508 -5.525 16.312 468 HD3 LYS 63 HD3 LYS 63 -13.770 -6.380 15.414 469 HE2 LYS 63 HE2 LYS 63 -12.055 -7.858 14.409 470 HE3 LYS 63 HE3 LYS 63 -10.786 -6.984 15.271 471 HZ1 LYS 63 HZ1 LYS 63 -11.356 -9.035 16.382 472 HZ2 LYS 63 HZ2 LYS 63 -12.971 -8.553 16.527 473 HZ3 LYS 63 HZ3 LYS 63 -11.763 -7.713 17.356 474 H THR 64 H THR 64 -12.061 -1.399 14.795 475 HA THR 64 HA THR 64 -9.591 -0.758 13.442 476 HB THR 64 HB THR 64 -10.331 -0.278 16.368 477 HG1 THR 64 HG1 THR 64 -11.760 1.002 15.474 478 HG21 THR 64 HG21 THR 64 -7.906 -0.007 15.925 479 HG22 THR 64 HG22 THR 64 -8.662 1.549 16.266 480 HG23 THR 64 HG23 THR 64 -8.269 1.111 14.603 481 H LEU 65 H LEU 65 -8.142 -2.408 13.215 482 HA LEU 65 HA LEU 65 -7.679 -4.453 15.191 483 HB2 LEU 65 HB2 LEU 65 -6.080 -3.709 12.721 484 HB3 LEU 65 HB3 LEU 65 -5.821 -5.147 13.688 485 HG LEU 65 HG LEU 65 -8.353 -4.535 12.107 486 HD11 LEU 65 HD11 LEU 65 -6.478 -4.991 10.612 487 HD12 LEU 65 HD12 LEU 65 -7.611 -6.336 10.590 488 HD13 LEU 65 HD13 LEU 65 -6.101 -6.477 11.489 489 HD21 LEU 65 HD21 LEU 65 -7.587 -7.046 13.650 490 HD22 LEU 65 HD22 LEU 65 -9.015 -6.857 12.627 491 HD23 LEU 65 HD23 LEU 65 -8.853 -5.893 14.091 492 H GLN 66 H GLN 66 -6.463 -4.265 16.913 493 HA GLN 66 HA GLN 66 -4.688 -1.984 17.372 494 HB2 GLN 66 HB2 GLN 66 -5.450 -4.232 19.291 495 HB3 GLN 66 HB3 GLN 66 -4.718 -2.689 19.717 496 HG2 GLN 66 HG2 GLN 66 -7.514 -3.024 18.572 497 HG3 GLN 66 HG3 GLN 66 -7.141 -2.872 20.285 498 HE21 GLN 66 HE21 GLN 66 -8.396 -1.010 20.506 499 HE22 GLN 66 HE22 GLN 66 -7.934 0.514 19.848 500 HA PRO 67 HA PRO 67 -0.770 -4.179 16.654 501 HB2 PRO 67 HB2 PRO 67 0.013 -3.016 19.337 502 HB3 PRO 67 HB3 PRO 67 0.922 -3.050 17.815 503 HG2 PRO 67 HG2 PRO 67 -0.302 -0.810 18.558 504 HG3 PRO 67 HG3 PRO 67 -0.365 -1.324 16.857 505 HD2 PRO 67 HD2 PRO 67 -2.500 -1.514 18.978 506 HD3 PRO 67 HD3 PRO 67 -2.656 -1.143 17.247 507 H GLY 68 H GLY 68 -0.475 -6.309 16.923 508 HA2 GLY 68 HA2 GLY 68 0.100 -8.201 18.370 509 HA3 GLY 68 HA3 GLY 68 -1.081 -7.633 19.535 510 H ASP 69 H ASP 69 -2.968 -7.111 17.054 511 HA ASP 69 HA ASP 69 -4.352 -9.616 17.209 512 HB2 ASP 69 HB2 ASP 69 -4.815 -7.137 15.510 513 HB3 ASP 69 HB3 ASP 69 -5.808 -8.578 15.305 514 H GLN 70 H GLN 70 -4.389 -11.347 15.897 515 HA GLN 70 HA GLN 70 -2.516 -11.467 13.603 516 HB2 GLN 70 HB2 GLN 70 -2.128 -13.145 15.377 517 HB3 GLN 70 HB3 GLN 70 -3.788 -13.714 15.227 518 HG2 GLN 70 HG2 GLN 70 -3.331 -14.512 12.947 519 HG3 GLN 70 HG3 GLN 70 -1.680 -13.896 13.045 520 HE21 GLN 70 HE21 GLN 70 -0.180 -14.998 14.367 521 HE22 GLN 70 HE22 GLN 70 -0.464 -16.606 14.920 522 H VAL 71 H VAL 71 -3.338 -11.507 11.601 523 HA VAL 71 HA VAL 71 -6.172 -12.126 11.046 524 HB VAL 71 HB VAL 71 -6.314 -10.036 9.659 525 HG11 VAL 71 HG11 VAL 71 -7.238 -10.000 11.944 526 HG12 VAL 71 HG12 VAL 71 -6.572 -8.423 11.527 527 HG13 VAL 71 HG13 VAL 71 -5.670 -9.505 12.588 528 HG21 VAL 71 HG21 VAL 71 -3.622 -9.329 10.914 529 HG22 VAL 71 HG22 VAL 71 -4.605 -8.235 9.936 530 HG23 VAL 71 HG23 VAL 71 -3.906 -9.683 9.209 531 H ILE 72 H ILE 72 -6.585 -12.364 8.629 532 HA ILE 72 HA ILE 72 -4.159 -13.209 7.117 533 HB ILE 72 HB ILE 72 -7.028 -14.200 6.839 534 HG12 ILE 72 HG12 ILE 72 -5.895 -15.124 8.834 535 HG13 ILE 72 HG13 ILE 72 -6.176 -16.382 7.638 536 HG21 ILE 72 HG21 ILE 72 -6.004 -14.171 4.627 537 HG22 ILE 72 HG22 ILE 72 -6.172 -15.834 5.183 538 HG23 ILE 72 HG23 ILE 72 -4.592 -15.047 5.229 539 HD11 ILE 72 HD11 ILE 72 -4.008 -16.618 8.694 540 HD12 ILE 72 HD12 ILE 72 -3.543 -15.002 8.166 541 HD13 ILE 72 HD13 ILE 72 -3.822 -16.276 6.975 542 H LEU 73 H LEU 73 -3.777 -12.398 5.121 543 HA LEU 73 HA LEU 73 -5.203 -10.021 4.212 544 HB2 LEU 73 HB2 LEU 73 -2.776 -11.410 2.998 545 HB3 LEU 73 HB3 LEU 73 -3.324 -9.772 2.660 546 HG LEU 73 HG LEU 73 -2.230 -10.724 5.347 547 HD11 LEU 73 HD11 LEU 73 -0.868 -9.029 3.229 548 HD12 LEU 73 HD12 LEU 73 -0.475 -10.701 3.635 549 HD13 LEU 73 HD13 LEU 73 -0.219 -9.427 4.824 550 HD21 LEU 73 HD21 LEU 73 -2.180 -8.337 5.966 551 HD22 LEU 73 HD22 LEU 73 -3.821 -8.878 5.628 552 HD23 LEU 73 HD23 LEU 73 -2.949 -7.913 4.433 553 H GLU 74 H GLU 74 -6.893 -10.177 2.777 554 HA GLU 74 HA GLU 74 -7.126 -12.421 0.902 555 HB2 GLU 74 HB2 GLU 74 -8.958 -10.053 1.420 556 HB3 GLU 74 HB3 GLU 74 -9.232 -11.200 0.111 557 HG2 GLU 74 HG2 GLU 74 -9.182 -13.020 1.941 558 HG3 GLU 74 HG3 GLU 74 -9.355 -11.695 3.091 559 H ALA 75 H ALA 75 -5.880 -9.163 0.790 560 HA ALA 75 HA ALA 75 -5.733 -9.172 -2.141 561 HB1 ALA 75 HB1 ALA 75 -4.488 -7.260 -0.134 562 HB2 ALA 75 HB2 ALA 75 -6.012 -7.023 -0.990 563 HB3 ALA 75 HB3 ALA 75 -4.496 -7.059 -1.891 564 H SER 76 H SER 76 -3.657 -8.989 -3.244 565 HA SER 76 HA SER 76 -1.272 -9.930 -1.808 566 HB2 SER 76 HB2 SER 76 -2.310 -11.957 -2.842 567 HB3 SER 76 HB3 SER 76 -2.229 -11.186 -4.427 568 HG SER 76 HG SER 76 -0.422 -12.428 -4.253 569 H HIS 77 H HIS 77 0.308 -8.457 -2.227 570 HA HIS 77 HA HIS 77 0.420 -7.036 -4.799 571 HB2 HIS 77 HB2 HIS 77 2.002 -6.574 -2.220 572 HB3 HIS 77 HB3 HIS 77 1.973 -5.514 -3.625 573 HD2 HIS 77 HD2 HIS 77 -1.477 -5.569 -3.769 574 HE1 HIS 77 HE1 HIS 77 -0.957 -3.563 -0.076 575 HE2 HIS 77 HE2 HIS 77 -2.619 -4.211 -1.865 576 H MET 78 H MET 78 1.629 -9.886 -3.543 577 HA MET 78 HA MET 78 3.949 -9.997 -5.299 578 HB2 MET 78 HB2 MET 78 5.589 -10.517 -3.512 579 HB3 MET 78 HB3 MET 78 4.921 -8.906 -3.299 580 HG2 MET 78 HG2 MET 78 3.451 -9.727 -1.521 581 HG3 MET 78 HG3 MET 78 4.059 -11.365 -1.755 582 HE1 MET 78 HE1 MET 78 6.072 -7.915 -1.742 583 HE2 MET 78 HE2 MET 78 6.574 -7.871 -0.051 584 HE3 MET 78 HE3 MET 78 4.865 -7.743 -0.466 585 H LYS 79 H LYS 79 5.197 -12.212 -4.798 586 HA LYS 79 HA LYS 79 3.545 -14.422 -5.256 587 HB2 LYS 79 HB2 LYS 79 6.416 -14.151 -4.350 588 HB3 LYS 79 HB3 LYS 79 5.695 -15.743 -4.495 589 HG2 LYS 79 HG2 LYS 79 5.613 -13.879 -6.872 590 HG3 LYS 79 HG3 LYS 79 7.114 -14.707 -6.471 591 HD2 LYS 79 HD2 LYS 79 6.130 -16.163 -8.028 592 HD3 LYS 79 HD3 LYS 79 5.686 -16.893 -6.490 593 HE2 LYS 79 HE2 LYS 79 3.737 -16.984 -7.859 594 HE3 LYS 79 HE3 LYS 79 3.445 -15.675 -6.716 595 HZ1 LYS 79 HZ1 LYS 79 2.791 -15.011 -8.905 596 HZ2 LYS 79 HZ2 LYS 79 4.309 -15.394 -9.543 597 HZ3 LYS 79 HZ3 LYS 79 4.147 -14.105 -8.458 598 H GLY 80 H GLY 80 1.977 -15.070 -3.838 599 HA2 GLY 80 HA2 GLY 80 1.186 -16.421 -2.142 600 HA3 GLY 80 HA3 GLY 80 2.808 -16.507 -1.483 601 H MET 81 H MET 81 1.303 -13.357 -1.968 602 HA MET 81 HA MET 81 1.483 -12.763 0.852 603 HB2 MET 81 HB2 MET 81 2.004 -11.028 -0.774 604 HB3 MET 81 HB3 MET 81 0.398 -11.133 -1.471 605 HG2 MET 81 HG2 MET 81 -0.591 -10.207 0.538 606 HG3 MET 81 HG3 MET 81 0.967 -10.250 1.365 607 HE1 MET 81 HE1 MET 81 -0.982 -7.660 1.100 608 HE2 MET 81 HE2 MET 81 0.229 -6.407 0.820 609 HE3 MET 81 HE3 MET 81 0.530 -7.666 2.018 610 H LYS 82 H LYS 82 -1.267 -13.206 -1.424 611 HA LYS 82 HA LYS 82 -3.313 -12.958 0.542 612 HB2 LYS 82 HB2 LYS 82 -3.844 -12.768 -1.855 613 HB3 LYS 82 HB3 LYS 82 -3.413 -14.456 -2.110 614 HG2 LYS 82 HG2 LYS 82 -5.274 -15.182 -0.677 615 HG3 LYS 82 HG3 LYS 82 -5.668 -13.502 -0.308 616 HD2 LYS 82 HD2 LYS 82 -6.188 -13.145 -2.739 617 HD3 LYS 82 HD3 LYS 82 -5.902 -14.867 -3.020 618 HE2 LYS 82 HE2 LYS 82 -7.763 -15.450 -1.534 619 HE3 LYS 82 HE3 LYS 82 -7.998 -13.752 -1.112 620 HZ1 LYS 82 HZ1 LYS 82 -8.552 -13.319 -3.434 621 HZ2 LYS 82 HZ2 LYS 82 -9.602 -14.435 -2.727 622 HZ3 LYS 82 HZ3 LYS 82 -8.396 -14.965 -3.787 623 H GLY 83 H GLY 83 -3.904 -14.322 2.112 624 HA2 GLY 83 HA2 GLY 83 -4.437 -16.426 3.072 625 HA3 GLY 83 HA3 GLY 83 -3.331 -17.219 1.960 626 H ALA 84 H ALA 84 -1.377 -14.875 2.728 627 HA ALA 84 HA ALA 84 0.180 -16.355 4.586 628 HB1 ALA 84 HB1 ALA 84 0.471 -13.451 3.726 629 HB2 ALA 84 HB2 ALA 84 1.178 -14.850 2.912 630 HB3 ALA 84 HB3 ALA 84 1.705 -14.420 4.539 631 H THR 85 H THR 85 0.477 -16.149 6.761 632 HA THR 85 HA THR 85 -1.615 -14.992 8.352 633 HB THR 85 HB THR 85 0.990 -16.276 9.303 634 HG1 THR 85 HG1 THR 85 -0.426 -18.146 9.551 635 HG21 THR 85 HG21 THR 85 -0.266 -16.722 11.407 636 HG22 THR 85 HG22 THR 85 -1.645 -15.821 10.772 637 HG23 THR 85 HG23 THR 85 -0.124 -14.989 11.095 638 H ALA 86 H ALA 86 -1.672 -12.894 8.866 639 HA ALA 86 HA ALA 86 0.787 -11.251 8.946 640 HB1 ALA 86 HB1 ALA 86 -2.091 -10.389 8.455 641 HB2 ALA 86 HB2 ALA 86 -0.844 -10.582 7.223 642 HB3 ALA 86 HB3 ALA 86 -0.676 -9.326 8.449 643 H GLU 87 H GLU 87 1.160 -9.912 10.723 644 HA GLU 87 HA GLU 87 -0.764 -9.924 12.972 645 HB2 GLU 87 HB2 GLU 87 1.223 -11.476 13.274 646 HB3 GLU 87 HB3 GLU 87 2.284 -10.080 13.209 647 HG2 GLU 87 HG2 GLU 87 0.089 -10.233 15.288 648 HG3 GLU 87 HG3 GLU 87 1.578 -11.140 15.518 649 H ILE 88 H ILE 88 -1.201 -7.935 13.812 650 HA ILE 88 HA ILE 88 -0.585 -5.669 12.152 651 HB ILE 88 HB ILE 88 -2.271 -5.834 14.692 652 HG12 ILE 88 HG12 ILE 88 -3.135 -7.275 12.861 653 HG13 ILE 88 HG13 ILE 88 -4.223 -5.931 13.177 654 HG21 ILE 88 HG21 ILE 88 -2.155 -3.587 12.634 655 HG22 ILE 88 HG22 ILE 88 -1.576 -3.506 14.299 656 HG23 ILE 88 HG23 ILE 88 -3.299 -3.690 13.976 657 HD11 ILE 88 HD11 ILE 88 -2.265 -6.108 10.884 658 HD12 ILE 88 HD12 ILE 88 -3.380 -4.772 11.191 659 HD13 ILE 88 HD13 ILE 88 -4.005 -6.373 10.800 660 H ASP 89 H ASP 89 1.252 -4.572 12.380 661 HA ASP 89 HA ASP 89 2.742 -4.302 14.835 662 HB2 ASP 89 HB2 ASP 89 3.868 -4.525 12.650 663 HB3 ASP 89 HB3 ASP 89 3.083 -3.066 12.064 664 H SER 90 H SER 90 0.608 -2.289 12.835 665 HA SER 90 HA SER 90 0.108 -0.336 14.880 666 HB2 SER 90 HB2 SER 90 2.362 0.450 14.177 667 HB3 SER 90 HB3 SER 90 1.816 0.561 12.506 668 HG SER 90 HG SER 90 1.730 2.444 14.280 669 H ALA 91 H ALA 91 -1.142 1.612 13.886 670 HA ALA 91 HA ALA 91 -2.791 0.910 11.541 671 HB1 ALA 91 HB1 ALA 91 -4.889 1.308 12.798 672 HB2 ALA 91 HB2 ALA 91 -3.968 1.531 14.288 673 HB3 ALA 91 HB3 ALA 91 -3.986 -0.041 13.486 674 H GLU 92 H GLU 92 -3.284 2.708 10.325 675 HA GLU 92 HA GLU 92 -2.869 5.417 11.478 676 HB2 GLU 92 HB2 GLU 92 -1.841 4.266 8.859 677 HB3 GLU 92 HB3 GLU 92 -2.095 5.998 9.022 678 HG2 GLU 92 HG2 GLU 92 -0.242 4.327 10.746 679 HG3 GLU 92 HG3 GLU 92 0.251 5.359 9.405 680 H LYS 93 H LYS 93 -4.385 6.930 11.050 681 HA LYS 93 HA LYS 93 -6.391 6.503 8.923 682 HB2 LYS 93 HB2 LYS 93 -6.276 8.487 11.244 683 HB3 LYS 93 HB3 LYS 93 -7.402 8.677 9.908 684 HG2 LYS 93 HG2 LYS 93 -8.566 7.660 11.750 685 HG3 LYS 93 HG3 LYS 93 -8.409 6.471 10.455 686 HD2 LYS 93 HD2 LYS 93 -6.502 5.422 11.674 687 HD3 LYS 93 HD3 LYS 93 -6.695 6.601 12.973 688 HE2 LYS 93 HE2 LYS 93 -7.732 4.428 13.528 689 HE3 LYS 93 HE3 LYS 93 -8.925 5.725 13.474 690 HZ1 LYS 93 HZ1 LYS 93 -9.623 4.982 11.315 691 HZ2 LYS 93 HZ2 LYS 93 -9.667 3.680 12.384 692 HZ3 LYS 93 HZ3 LYS 93 -8.413 3.808 11.267 693 H THR 94 H THR 94 -5.321 6.946 7.075 694 HA THR 94 HA THR 94 -4.093 9.605 6.667 695 HB THR 94 HB THR 94 -2.176 8.150 7.103 696 HG1 THR 94 HG1 THR 94 -2.370 8.566 4.275 697 HG21 THR 94 HG21 THR 94 -3.185 5.947 6.619 698 HG22 THR 94 HG22 THR 94 -1.665 6.150 5.745 699 HG23 THR 94 HG23 THR 94 -3.202 6.323 4.894 700 H THR 95 H THR 95 -4.107 10.319 4.442 701 HA THR 95 HA THR 95 -6.095 9.123 2.704 702 HB THR 95 HB THR 95 -5.117 10.907 1.035 703 HG1 THR 95 HG1 THR 95 -3.970 12.592 2.034 704 HG21 THR 95 HG21 THR 95 -6.417 12.728 2.028 705 HG22 THR 95 HG22 THR 95 -6.508 11.852 3.560 706 HG23 THR 95 HG23 THR 95 -7.292 11.201 2.115 707 H VAL 96 H VAL 96 -5.686 7.568 1.259 708 HA VAL 96 HA VAL 96 -2.928 7.071 0.306 709 HB VAL 96 HB VAL 96 -3.613 4.650 -0.034 710 HG11 VAL 96 HG11 VAL 96 -3.639 5.627 2.848 711 HG12 VAL 96 HG12 VAL 96 -2.206 5.292 1.874 712 HG13 VAL 96 HG13 VAL 96 -3.289 3.975 2.326 713 HG21 VAL 96 HG21 VAL 96 -6.069 4.895 0.013 714 HG22 VAL 96 HG22 VAL 96 -6.007 5.381 1.708 715 HG23 VAL 96 HG23 VAL 96 -5.540 3.743 1.242 716 H TYR 97 H TYR 97 -2.693 6.970 -1.893 717 HA TYR 97 HA TYR 97 -5.067 7.691 -3.501 718 HB2 TYR 97 HB2 TYR 97 -2.179 8.639 -3.766 719 HB3 TYR 97 HB3 TYR 97 -3.465 9.038 -4.905 720 HD1 TYR 97 HD1 TYR 97 -2.222 9.618 -1.448 721 HD2 TYR 97 HD2 TYR 97 -5.179 10.713 -4.332 722 HE1 TYR 97 HE1 TYR 97 -2.893 11.515 -0.052 723 HE2 TYR 97 HE2 TYR 97 -5.834 12.619 -2.927 724 HH TYR 97 HH TYR 97 -3.999 13.655 -0.218 725 H MET 98 H MET 98 -5.224 7.027 -5.597 726 HA MET 98 HA MET 98 -3.636 4.713 -6.501 727 HB2 MET 98 HB2 MET 98 -6.111 4.477 -6.418 728 HB3 MET 98 HB3 MET 98 -6.296 5.882 -7.459 729 HG2 MET 98 HG2 MET 98 -5.335 4.709 -9.321 730 HG3 MET 98 HG3 MET 98 -4.876 3.351 -8.295 731 HE1 MET 98 HE1 MET 98 -7.871 5.219 -10.073 732 HE2 MET 98 HE2 MET 98 -8.324 5.371 -8.375 733 HE3 MET 98 HE3 MET 98 -9.259 4.330 -9.449 734 H VAL 99 H VAL 99 -1.918 5.258 -7.824 735 HA VAL 99 HA VAL 99 -2.078 7.761 -9.446 736 HB VAL 99 HB VAL 99 0.372 8.090 -9.075 737 HG11 VAL 99 HG11 VAL 99 -1.261 8.008 -6.505 738 HG12 VAL 99 HG12 VAL 99 -1.226 9.330 -7.675 739 HG13 VAL 99 HG13 VAL 99 0.223 8.935 -6.749 740 HG21 VAL 99 HG21 VAL 99 0.144 5.816 -7.051 741 HG22 VAL 99 HG22 VAL 99 1.559 6.848 -7.278 742 HG23 VAL 99 HG23 VAL 99 1.043 5.762 -8.570 743 H ASP 100 H ASP 100 -0.956 7.848 -11.417 744 HA ASP 100 HA ASP 100 -0.178 5.268 -12.660 745 HB2 ASP 100 HB2 ASP 100 -1.248 7.710 -14.155 746 HB3 ASP 100 HB3 ASP 100 -1.103 6.056 -14.747 747 H TYR 101 H TYR 101 1.998 5.219 -13.072 748 HA TYR 101 HA TYR 101 3.454 7.682 -13.828 749 HB2 TYR 101 HB2 TYR 101 5.293 7.123 -12.256 750 HB3 TYR 101 HB3 TYR 101 3.787 7.391 -11.394 751 HD1 TYR 101 HD1 TYR 101 2.643 5.500 -10.243 752 HD2 TYR 101 HD2 TYR 101 6.337 4.869 -12.298 753 HE1 TYR 101 HE1 TYR 101 2.898 3.331 -9.134 754 HE2 TYR 101 HE2 TYR 101 6.584 2.694 -11.189 755 HH TYR 101 HH TYR 101 4.034 1.215 -9.428 756 H THR 102 H THR 102 5.775 7.089 -14.485 757 HA THR 102 HA THR 102 5.893 4.540 -16.005 758 HB THR 102 HB THR 102 7.564 7.070 -16.407 759 HG1 THR 102 HG1 THR 102 5.205 6.129 -17.559 760 HG21 THR 102 HG21 THR 102 8.403 5.945 -18.463 761 HG22 THR 102 HG22 THR 102 7.528 4.478 -18.018 762 HG23 THR 102 HG23 THR 102 8.859 5.050 -17.011 763 H SER 103 H SER 103 7.193 3.003 -15.148 764 HA SER 103 HA SER 103 8.812 3.287 -12.872 765 HB2 SER 103 HB2 SER 103 7.970 1.091 -13.528 766 HB3 SER 103 HB3 SER 103 8.885 1.148 -15.035 767 HG SER 103 HG SER 103 9.923 -0.102 -13.386 768 H THR 104 H THR 104 10.484 4.629 -12.804 769 HA THR 104 HA THR 104 12.099 5.584 -14.865 770 HB THR 104 HB THR 104 13.625 6.395 -13.052 771 HG1 THR 104 HG1 THR 104 11.968 5.406 -11.034 772 HG21 THR 104 HG21 THR 104 11.983 7.791 -11.829 773 HG22 THR 104 HG22 THR 104 10.673 6.753 -12.390 774 HG23 THR 104 HG23 THR 104 11.588 7.718 -13.550 775 H THR 105 H THR 105 12.387 2.585 -13.074 776 HA THR 105 HA THR 105 15.145 2.063 -13.893 777 HB THR 105 HB THR 105 14.866 -0.101 -12.674 778 HG1 THR 105 HG1 THR 105 12.933 -0.603 -11.698 779 HG21 THR 105 HG21 THR 105 14.594 0.829 -10.395 780 HG22 THR 105 HG22 THR 105 13.916 2.310 -11.073 781 HG23 THR 105 HG23 THR 105 15.601 1.884 -11.389 782 H SER 106 H SER 106 11.987 0.350 -14.410 783 HA SER 106 HA SER 106 13.190 -1.376 -16.444 784 HB2 SER 106 HB2 SER 106 11.062 -2.597 -16.423 785 HB3 SER 106 HB3 SER 106 11.579 -2.295 -14.767 786 HG SER 106 HG SER 106 9.427 -1.806 -14.894 787 H GLY 107 H GLY 107 10.887 1.310 -16.368 788 HA2 GLY 107 HA2 GLY 107 10.455 2.756 -18.229 789 HA3 GLY 107 HA3 GLY 107 10.826 1.438 -19.331 790 H GLU 108 H GLU 108 8.961 0.115 -16.956 791 HA GLU 108 HA GLU 108 6.730 -0.336 -18.672 792 HB2 GLU 108 HB2 GLU 108 7.511 -1.967 -16.967 793 HB3 GLU 108 HB3 GLU 108 6.997 -0.881 -15.682 794 HG2 GLU 108 HG2 GLU 108 4.649 -1.129 -16.399 795 HG3 GLU 108 HG3 GLU 108 5.152 -2.180 -17.722 796 H LYS 109 H LYS 109 4.914 0.829 -18.958 797 HA LYS 109 HA LYS 109 4.271 3.181 -17.410 798 HB2 LYS 109 HB2 LYS 109 2.492 1.774 -19.458 799 HB3 LYS 109 HB3 LYS 109 2.400 3.455 -18.939 800 HG2 LYS 109 HG2 LYS 109 4.590 2.181 -20.620 801 HG3 LYS 109 HG3 LYS 109 3.360 3.325 -21.168 802 HD2 LYS 109 HD2 LYS 109 4.352 5.087 -19.748 803 HD3 LYS 109 HD3 LYS 109 5.552 3.943 -19.141 804 HE2 LYS 109 HE2 LYS 109 5.278 4.835 -22.034 805 HE3 LYS 109 HE3 LYS 109 6.489 5.412 -20.889 806 HZ1 LYS 109 HZ1 LYS 109 7.398 3.708 -22.324 807 HZ2 LYS 109 HZ2 LYS 109 6.203 2.614 -21.856 808 HZ3 LYS 109 HZ3 LYS 109 7.352 3.143 -20.731 809 H VAL 110 H VAL 110 3.738 2.690 -15.315 810 HA VAL 110 HA VAL 110 1.987 0.413 -14.666 811 HB VAL 110 HB VAL 110 3.456 2.281 -12.750 812 HG11 VAL 110 HG11 VAL 110 1.563 1.120 -11.682 813 HG12 VAL 110 HG12 VAL 110 3.094 0.498 -11.068 814 HG13 VAL 110 HG13 VAL 110 2.173 -0.438 -12.250 815 HG21 VAL 110 HG21 VAL 110 5.090 1.120 -14.171 816 HG22 VAL 110 HG22 VAL 110 4.347 -0.436 -13.794 817 HG23 VAL 110 HG23 VAL 110 5.152 0.488 -12.524 818 H LYS 111 H LYS 111 -0.163 0.788 -14.524 819 HA LYS 111 HA LYS 111 -1.105 3.541 -13.910 820 HB2 LYS 111 HB2 LYS 111 -3.087 3.180 -15.271 821 HB3 LYS 111 HB3 LYS 111 -1.651 2.913 -16.239 822 HG2 LYS 111 HG2 LYS 111 -3.280 0.655 -15.033 823 HG3 LYS 111 HG3 LYS 111 -3.611 1.327 -16.629 824 HD2 LYS 111 HD2 LYS 111 -1.003 0.010 -15.772 825 HD3 LYS 111 HD3 LYS 111 -2.268 -0.760 -16.731 826 HE2 LYS 111 HE2 LYS 111 -1.912 0.942 -18.518 827 HE3 LYS 111 HE3 LYS 111 -0.612 1.655 -17.559 828 HZ1 LYS 111 HZ1 LYS 111 0.572 -0.454 -17.697 829 HZ2 LYS 111 HZ2 LYS 111 0.260 0.186 -19.228 830 HZ3 LYS 111 HZ3 LYS 111 -0.663 -1.104 -18.656 831 H ASN 112 H ASN 112 -2.787 3.853 -12.557 832 HA ASN 112 HA ASN 112 -4.038 3.637 -10.695 833 HB2 ASN 112 HB2 ASN 112 -4.796 0.990 -11.995 834 HB3 ASN 112 HB3 ASN 112 -5.690 1.755 -10.686 835 HD21 ASN 112 HD21 ASN 112 -5.435 4.477 -11.689 836 HD22 ASN 112 HD22 ASN 112 -6.443 4.572 -13.074 837 H HIS 113 H HIS 113 -1.367 2.934 -10.281 838 HA HIS 113 HA HIS 113 -0.959 0.550 -8.832 839 HB2 HIS 113 HB2 HIS 113 0.942 1.745 -9.776 840 HB3 HIS 113 HB3 HIS 113 0.608 3.160 -8.779 841 HD2 HIS 113 HD2 HIS 113 1.815 3.155 -6.329 842 HE1 HIS 113 HE1 HIS 113 2.969 -0.907 -6.333 843 HE2 HIS 113 HE2 HIS 113 2.826 1.209 -4.962 844 H LYS 114 H LYS 114 -1.043 0.030 -6.708 845 HA LYS 114 HA LYS 114 -1.932 1.970 -4.672 846 HB2 LYS 114 HB2 LYS 114 -3.277 -0.701 -5.304 847 HB3 LYS 114 HB3 LYS 114 -3.612 0.252 -3.861 848 HG2 LYS 114 HG2 LYS 114 -4.500 2.080 -5.242 849 HG3 LYS 114 HG3 LYS 114 -4.113 1.179 -6.714 850 HD2 LYS 114 HD2 LYS 114 -5.722 -0.566 -6.112 851 HD3 LYS 114 HD3 LYS 114 -6.045 0.223 -4.566 852 HE2 LYS 114 HE2 LYS 114 -6.957 2.190 -5.779 853 HE3 LYS 114 HE3 LYS 114 -6.673 1.360 -7.312 854 HZ1 LYS 114 HZ1 LYS 114 -8.974 1.189 -6.541 855 HZ2 LYS 114 HZ2 LYS 114 -8.453 0.377 -5.150 856 HZ3 LYS 114 HZ3 LYS 114 -8.237 -0.328 -6.668 857 H TRP 115 H TRP 115 -0.298 -0.035 -2.145 858 HA TRP 115 HA TRP 115 -1.740 2.412 -2.975 859 HB2 TRP 115 HB2 TRP 115 -1.280 1.217 -0.206 860 HB3 TRP 115 HB3 TRP 115 -2.078 2.760 -0.494 861 HD1 TRP 115 HD1 TRP 115 -2.816 -0.907 -0.263 862 HE1 TRP 115 HE1 TRP 115 -5.264 -1.340 -0.846 863 HE3 TRP 115 HE3 TRP 115 -4.000 3.677 -2.184 864 HZ2 TRP 115 HZ2 TRP 115 -7.429 0.059 -1.983 865 HZ3 TRP 115 HZ3 TRP 115 -6.287 4.049 -2.993 866 HH2 TRP 115 HH2 TRP 115 -7.967 2.275 -2.894 867 H VAL 116 H VAL 116 -0.879 4.383 -2.796 868 HA VAL 116 HA VAL 116 1.660 4.821 -1.315 869 HB VAL 116 HB VAL 116 2.043 6.846 -2.698 870 HG11 VAL 116 HG11 VAL 116 1.680 4.348 -4.402 871 HG12 VAL 116 HG12 VAL 116 3.100 4.752 -3.434 872 HG13 VAL 116 HG13 VAL 116 2.671 5.748 -4.825 873 HG21 VAL 116 HG21 VAL 116 0.696 7.309 -4.730 874 HG22 VAL 116 HG22 VAL 116 -0.287 7.423 -3.270 875 HG23 VAL 116 HG23 VAL 116 -0.407 5.997 -4.303 876 H THR 117 H THR 117 1.723 6.740 0.053 877 HA THR 117 HA THR 117 -0.940 7.797 0.838 878 HB THR 117 HB THR 117 0.290 8.747 2.862 879 HG1 THR 117 HG1 THR 117 2.393 6.975 2.126 880 HG21 THR 117 HG21 THR 117 0.380 5.734 2.507 881 HG22 THR 117 HG22 THR 117 -1.016 6.673 3.044 882 HG23 THR 117 HG23 THR 117 0.430 6.589 4.052 883 H GLU 118 H GLU 118 -0.778 10.185 1.749 884 HA GLU 118 HA GLU 118 -0.208 11.942 -0.428 885 HB2 GLU 118 HB2 GLU 118 -2.015 12.294 1.283 886 HB3 GLU 118 HB3 GLU 118 -0.779 12.667 2.479 887 HG2 GLU 118 HG2 GLU 118 -0.090 14.636 1.173 888 HG3 GLU 118 HG3 GLU 118 -1.277 14.243 -0.070 889 H ASP 119 H ASP 119 1.412 11.363 2.698 890 HA ASP 119 HA ASP 119 3.538 13.247 2.356 891 HB2 ASP 119 HB2 ASP 119 2.741 12.365 4.563 892 HB3 ASP 119 HB3 ASP 119 3.410 10.790 4.156 893 H GLU 120 H GLU 120 2.951 10.174 0.994 894 HA GLU 120 HA GLU 120 5.655 9.318 0.439 895 HB2 GLU 120 HB2 GLU 120 3.249 8.059 0.510 896 HB3 GLU 120 HB3 GLU 120 3.286 8.412 -1.198 897 HG2 GLU 120 HG2 GLU 120 4.603 6.628 -1.595 898 HG3 GLU 120 HG3 GLU 120 5.810 7.209 -0.451 899 H LEU 121 H LEU 121 3.472 11.620 -0.872 900 HA LEU 121 HA LEU 121 4.795 11.801 -3.519 901 HB2 LEU 121 HB2 LEU 121 1.942 12.655 -2.840 902 HB3 LEU 121 HB3 LEU 121 2.672 12.565 -4.437 903 HG LEU 121 HG LEU 121 1.996 10.166 -2.687 904 HD11 LEU 121 HD11 LEU 121 0.524 11.217 -5.127 905 HD12 LEU 121 HD12 LEU 121 -0.037 11.297 -3.456 906 HD13 LEU 121 HD13 LEU 121 0.151 9.733 -4.242 907 HD21 LEU 121 HD21 LEU 121 2.966 10.248 -5.564 908 HD22 LEU 121 HD22 LEU 121 2.444 8.805 -4.687 909 HD23 LEU 121 HD23 LEU 121 3.880 9.677 -4.163 910 H SER 122 H SER 122 4.406 14.090 -4.426 911 HA SER 122 HA SER 122 3.705 16.264 -2.622 912 HB2 SER 122 HB2 SER 122 6.438 16.273 -3.997 913 HB3 SER 122 HB3 SER 122 5.705 17.667 -3.201 914 HG SER 122 HG SER 122 5.660 15.786 -1.407 915 H ALA 123 H ALA 123 3.060 18.175 -3.882 916 HA ALA 123 HA ALA 123 1.930 17.461 -6.418 917 HB1 ALA 123 HB1 ALA 123 2.036 20.179 -5.075 918 HB2 ALA 123 HB2 ALA 123 0.775 18.963 -4.856 919 HB3 ALA 123 HB3 ALA 123 0.995 19.725 -6.431 920 H LYS 124 H LYS 124 2.151 18.768 -8.408 921 HA LYS 124 HA LYS 124 4.836 19.006 -9.342 922 HB2 LYS 124 HB2 LYS 124 3.009 18.328 -10.803 923 HB3 LYS 124 HB3 LYS 124 2.159 19.842 -10.532 924 HG2 LYS 124 HG2 LYS 124 3.114 19.894 -12.730 925 HG3 LYS 124 HG3 LYS 124 4.003 21.042 -11.728 926 HD2 LYS 124 HD2 LYS 124 5.804 19.321 -11.436 927 HD3 LYS 124 HD3 LYS 124 4.915 18.250 -12.525 928 HE2 LYS 124 HE2 LYS 124 5.114 19.978 -14.322 929 HE3 LYS 124 HE3 LYS 124 6.087 20.967 -13.230 930 HZ1 LYS 124 HZ1 LYS 124 7.727 19.205 -13.159 931 HZ2 LYS 124 HZ2 LYS 124 7.446 19.687 -14.751 932 HZ3 LYS 124 HZ3 LYS 124 6.780 18.242 -14.178 933 H LEU 125 H LEU 125 6.092 20.818 -9.783 934 HA LEU 125 HA LEU 125 7.001 22.883 -9.674 935 HB2 LEU 125 HB2 LEU 125 4.111 23.843 -9.688 936 HB3 LEU 125 HB3 LEU 125 5.502 24.899 -9.888 937 HG LEU 125 HG LEU 125 4.676 22.676 -11.807 938 HD11 LEU 125 HD11 LEU 125 3.137 24.571 -11.915 939 HD12 LEU 125 HD12 LEU 125 4.111 24.473 -13.378 940 HD13 LEU 125 HD13 LEU 125 4.487 25.686 -12.151 941 HD21 LEU 125 HD21 LEU 125 6.961 24.669 -12.042 942 HD22 LEU 125 HD22 LEU 125 6.437 23.552 -13.306 943 HD23 LEU 125 HD23 LEU 125 7.106 22.925 -11.804 944 H GLU 126 H GLU 126 6.435 21.438 -7.166 945 HA GLU 126 HA GLU 126 5.839 23.374 -5.117 946 HB2 GLU 126 HB2 GLU 126 6.570 20.461 -5.161 947 HB3 GLU 126 HB3 GLU 126 6.888 21.326 -3.664 948 HG2 GLU 126 HG2 GLU 126 4.191 21.120 -5.047 949 HG3 GLU 126 HG3 GLU 126 4.700 20.202 -3.629 950 H HIS 127 H HIS 127 7.503 23.116 -3.101 951 HA HIS 127 HA HIS 127 9.443 25.091 -3.612 952 HB2 HIS 127 HB2 HIS 127 9.396 23.273 -1.166 953 HB3 HIS 127 HB3 HIS 127 10.023 24.915 -1.265 954 HD1 HIS 127 HD1 HIS 127 7.989 26.753 -1.887 955 HD2 HIS 127 HD2 HIS 127 6.913 23.160 -0.100 956 HE1 HIS 127 HE1 HIS 127 5.714 27.147 -0.904 957 HE2 HIS 127 HE2 HIS 127 5.147 25.007 0.285 958 H HIS 128 H HIS 128 11.742 25.016 -3.690 959 HA HIS 128 HA HIS 128 12.877 22.423 -4.564 960 HB2 HIS 128 HB2 HIS 128 13.966 25.252 -4.929 961 HB3 HIS 128 HB3 HIS 128 14.675 23.789 -5.600 962 HD1 HIS 128 HD1 HIS 128 13.606 22.821 -7.716 963 HD2 HIS 128 HD2 HIS 128 11.594 26.139 -6.237 964 HE1 HIS 128 HE1 HIS 128 12.004 23.496 -9.526 965 HE2 HIS 128 HE2 HIS 128 10.678 25.383 -8.529 966 H HIS 129 H HIS 129 13.254 21.501 -2.474 967 HA HIS 129 HA HIS 129 15.424 22.732 -0.861 968 HB2 HIS 129 HB2 HIS 129 13.298 20.693 -0.078 969 HB3 HIS 129 HB3 HIS 129 14.695 21.054 0.934 970 HD1 HIS 129 HD1 HIS 129 14.909 23.742 1.535 971 HD2 HIS 129 HD2 HIS 129 11.149 22.307 0.496 972 HE1 HIS 129 HE1 HIS 129 13.287 25.430 2.419 973 HE2 HIS 129 HE2 HIS 129 11.020 24.494 1.885 974 H HIS 130 H HIS 130 17.199 22.092 -1.961 975 HA HIS 130 HA HIS 130 17.698 19.496 -3.028 976 HB2 HIS 130 HB2 HIS 130 20.106 20.406 -3.245 977 HB3 HIS 130 HB3 HIS 130 18.835 21.277 -4.091 978 HD1 HIS 130 HD1 HIS 130 18.547 23.704 -3.564 979 HD2 HIS 130 HD2 HIS 130 21.042 21.810 -0.837 980 HE1 HIS 130 HE1 HIS 130 19.497 25.537 -2.145 981 HE2 HIS 130 HE2 HIS 130 21.109 24.386 -0.596 982 H HIS 131 H HIS 131 18.576 17.717 -2.180 983 HA HIS 131 HA HIS 131 20.333 17.771 0.180 984 HB2 HIS 131 HB2 HIS 131 17.853 15.986 -0.002 985 HB3 HIS 131 HB3 HIS 131 19.123 15.808 1.202 986 HD1 HIS 131 HD1 HIS 131 19.397 17.912 2.887 987 HD2 HIS 131 HD2 HIS 131 15.862 17.751 0.707 988 HE1 HIS 131 HE1 HIS 131 17.839 19.507 4.024 989 HE2 HIS 131 HE2 HIS 131 15.702 19.389 2.707 990 H HIS 132 H HIS 132 21.880 16.100 0.148 991 HA HIS 132 HA HIS 132 22.476 15.025 -2.440 992 HB2 HIS 132 HB2 HIS 132 24.553 14.120 -1.403 993 HB3 HIS 132 HB3 HIS 132 24.314 15.829 -1.083 994 HD1 HIS 132 HD1 HIS 132 23.529 16.455 1.403 995 HD2 HIS 132 HD2 HIS 132 24.867 12.560 0.854 996 HE1 HIS 132 HE1 HIS 132 23.967 15.567 3.699 997 HE2 HIS 132 HE2 HIS 132 24.887 13.260 3.346 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -5.272 17.225 -0.950 2 H2 MET 1 H2 MET 1 -6.526 16.185 -1.398 3 H3 MET 1 H3 MET 1 -6.587 17.819 -1.830 4 HA MET 1 HA MET 1 -4.696 17.588 -3.260 5 HB2 MET 1 HB2 MET 1 -3.813 15.634 -1.747 6 HB3 MET 1 HB3 MET 1 -4.787 14.588 -2.766 7 HG2 MET 1 HG2 MET 1 -2.518 14.542 -3.546 8 HG3 MET 1 HG3 MET 1 -3.487 15.416 -4.740 9 HE1 MET 1 HE1 MET 1 0.253 17.058 -4.363 10 HE2 MET 1 HE2 MET 1 -0.735 16.084 -5.450 11 HE3 MET 1 HE3 MET 1 -0.157 15.397 -3.932 12 H LYS 2 H LYS 2 -5.650 17.865 -5.227 13 HA LYS 2 HA LYS 2 -8.291 16.855 -5.754 14 HB2 LYS 2 HB2 LYS 2 -6.406 18.634 -7.339 15 HB3 LYS 2 HB3 LYS 2 -7.905 18.059 -8.049 16 HG2 LYS 2 HG2 LYS 2 -8.314 20.261 -7.233 17 HG3 LYS 2 HG3 LYS 2 -9.165 19.141 -6.168 18 HD2 LYS 2 HD2 LYS 2 -7.356 19.376 -4.487 19 HD3 LYS 2 HD3 LYS 2 -6.498 20.489 -5.560 20 HE2 LYS 2 HE2 LYS 2 -8.429 22.057 -5.437 21 HE3 LYS 2 HE3 LYS 2 -9.244 20.949 -4.330 22 HZ1 LYS 2 HZ1 LYS 2 -6.673 22.345 -3.837 23 HZ2 LYS 2 HZ2 LYS 2 -7.400 21.247 -2.776 24 HZ3 LYS 2 HZ3 LYS 2 -8.166 22.710 -3.130 25 H VAL 3 H VAL 3 -8.919 15.112 -6.900 26 HA VAL 3 HA VAL 3 -7.169 13.311 -8.224 27 HB VAL 3 HB VAL 3 -10.196 13.581 -8.539 28 HG11 VAL 3 HG11 VAL 3 -10.145 11.212 -9.295 29 HG12 VAL 3 HG12 VAL 3 -8.380 11.232 -9.233 30 HG13 VAL 3 HG13 VAL 3 -9.235 12.262 -10.385 31 HG21 VAL 3 HG21 VAL 3 -8.592 11.806 -6.649 32 HG22 VAL 3 HG22 VAL 3 -10.347 11.777 -6.840 33 HG23 VAL 3 HG23 VAL 3 -9.556 13.211 -6.184 34 H GLY 4 H GLY 4 -6.384 13.355 -10.223 35 HA2 GLY 4 HA2 GLY 4 -6.334 13.864 -12.564 36 HA3 GLY 4 HA3 GLY 4 -7.349 15.267 -12.268 37 H SER 5 H SER 5 -5.057 15.225 -9.844 38 HA SER 5 HA SER 5 -3.473 17.357 -10.983 39 HB2 SER 5 HB2 SER 5 -4.084 17.377 -8.589 40 HB3 SER 5 HB3 SER 5 -3.180 15.889 -8.316 41 HG SER 5 HG SER 5 -2.274 18.312 -8.105 42 H GLN 6 H GLN 6 -1.405 17.295 -11.739 43 HA GLN 6 HA GLN 6 -0.171 14.683 -12.292 44 HB2 GLN 6 HB2 GLN 6 -0.343 16.372 -14.131 45 HB3 GLN 6 HB3 GLN 6 0.676 17.472 -13.206 46 HG2 GLN 6 HG2 GLN 6 2.547 15.879 -13.345 47 HG3 GLN 6 HG3 GLN 6 1.535 14.743 -14.234 48 HE21 GLN 6 HE21 GLN 6 0.988 15.234 -16.398 49 HE22 GLN 6 HE22 GLN 6 1.859 16.404 -17.313 50 H VAL 7 H VAL 7 1.239 13.886 -10.836 51 HA VAL 7 HA VAL 7 2.605 15.715 -8.930 52 HB VAL 7 HB VAL 7 2.146 14.167 -7.075 53 HG11 VAL 7 HG11 VAL 7 -0.405 14.951 -8.542 54 HG12 VAL 7 HG12 VAL 7 0.541 15.988 -7.472 55 HG13 VAL 7 HG13 VAL 7 -0.285 14.572 -6.820 56 HG21 VAL 7 HG21 VAL 7 2.033 12.026 -8.300 57 HG22 VAL 7 HG22 VAL 7 0.514 12.512 -9.053 58 HG23 VAL 7 HG23 VAL 7 0.588 12.242 -7.309 59 H ILE 8 H ILE 8 4.488 14.898 -7.899 60 HA ILE 8 HA ILE 8 5.916 12.687 -9.255 61 HB ILE 8 HB ILE 8 7.072 14.915 -7.502 62 HG12 ILE 8 HG12 ILE 8 6.256 15.859 -9.627 63 HG13 ILE 8 HG13 ILE 8 8.014 15.848 -9.631 64 HG21 ILE 8 HG21 ILE 8 8.523 12.803 -9.158 65 HG22 ILE 8 HG22 ILE 8 8.453 12.879 -7.396 66 HG23 ILE 8 HG23 ILE 8 9.296 14.139 -8.298 67 HD11 ILE 8 HD11 ILE 8 7.991 13.860 -11.075 68 HD12 ILE 8 HD12 ILE 8 7.126 15.218 -11.793 69 HD13 ILE 8 HD13 ILE 8 6.223 13.887 -11.073 70 H ILE 9 H ILE 9 6.577 10.943 -8.067 71 HA ILE 9 HA ILE 9 5.337 10.493 -5.476 72 HB ILE 9 HB ILE 9 7.129 8.668 -7.149 73 HG12 ILE 9 HG12 ILE 9 4.080 8.790 -6.922 74 HG13 ILE 9 HG13 ILE 9 5.021 9.318 -8.311 75 HG21 ILE 9 HG21 ILE 9 5.368 7.969 -4.760 76 HG22 ILE 9 HG22 ILE 9 7.133 7.982 -4.776 77 HG23 ILE 9 HG23 ILE 9 6.255 6.812 -5.759 78 HD11 ILE 9 HD11 ILE 9 5.731 7.003 -8.685 79 HD12 ILE 9 HD12 ILE 9 3.979 7.192 -8.724 80 HD13 ILE 9 HD13 ILE 9 4.755 6.492 -7.306 81 H ASN 10 H ASN 10 6.288 10.952 -3.597 82 HA ASN 10 HA ASN 10 8.971 12.017 -3.442 83 HB2 ASN 10 HB2 ASN 10 7.086 13.060 -2.208 84 HB3 ASN 10 HB3 ASN 10 6.822 11.566 -1.316 85 HD21 ASN 10 HD21 ASN 10 7.167 12.423 0.709 86 HD22 ASN 10 HD22 ASN 10 8.694 13.028 1.245 87 H THR 11 H THR 11 7.233 9.160 -2.296 88 HA THR 11 HA THR 11 9.716 7.741 -1.569 89 HB THR 11 HB THR 11 7.383 8.333 0.305 90 HG1 THR 11 HG1 THR 11 8.807 9.596 1.176 91 HG21 THR 11 HG21 THR 11 8.346 6.758 1.958 92 HG22 THR 11 HG22 THR 11 9.497 6.190 0.749 93 HG23 THR 11 HG23 THR 11 7.767 5.905 0.523 94 H SER 12 H SER 12 9.540 5.475 -1.784 95 HA SER 12 HA SER 12 6.953 4.186 -2.028 96 HB2 SER 12 HB2 SER 12 7.270 3.208 -4.217 97 HB3 SER 12 HB3 SER 12 7.458 4.950 -4.387 98 HG SER 12 HG SER 12 9.771 3.417 -3.944 99 H HIS 13 H HIS 13 7.038 1.922 -1.952 100 HA HIS 13 HA HIS 13 9.305 0.773 -0.538 101 HB2 HIS 13 HB2 HIS 13 6.615 -0.435 -1.348 102 HB3 HIS 13 HB3 HIS 13 7.795 -1.201 -0.283 103 HD2 HIS 13 HD2 HIS 13 5.434 1.970 -0.235 104 HE1 HIS 13 HE1 HIS 13 6.670 1.053 3.699 105 HE2 HIS 13 HE2 HIS 13 5.405 2.689 2.235 106 H MET 14 H MET 14 8.117 0.871 -3.795 107 HA MET 14 HA MET 14 9.897 -1.222 -4.798 108 HB2 MET 14 HB2 MET 14 8.228 0.855 -6.299 109 HB3 MET 14 HB3 MET 14 9.103 -0.475 -7.053 110 HG2 MET 14 HG2 MET 14 6.743 -1.001 -6.927 111 HG3 MET 14 HG3 MET 14 7.638 -2.082 -5.858 112 HE1 MET 14 HE1 MET 14 4.182 -1.545 -4.002 113 HE2 MET 14 HE2 MET 14 5.283 -2.744 -4.682 114 HE3 MET 14 HE3 MET 14 4.430 -1.621 -5.746 115 H LYS 15 H LYS 15 11.495 -0.588 -6.583 116 HA LYS 15 HA LYS 15 13.160 1.667 -5.737 117 HB2 LYS 15 HB2 LYS 15 14.192 -0.537 -6.224 118 HB3 LYS 15 HB3 LYS 15 13.617 -0.450 -7.886 119 HG2 LYS 15 HG2 LYS 15 15.070 1.487 -8.314 120 HG3 LYS 15 HG3 LYS 15 15.602 1.480 -6.627 121 HD2 LYS 15 HD2 LYS 15 16.599 -0.777 -6.975 122 HD3 LYS 15 HD3 LYS 15 16.095 -0.729 -8.669 123 HE2 LYS 15 HE2 LYS 15 18.470 -0.144 -8.452 124 HE3 LYS 15 HE3 LYS 15 17.550 1.244 -9.035 125 HZ1 LYS 15 HZ1 LYS 15 17.603 2.195 -6.847 126 HZ2 LYS 15 HZ2 LYS 15 19.182 1.801 -7.299 127 HZ3 LYS 15 HZ3 LYS 15 18.345 0.824 -6.206 128 H GLY 16 H GLY 16 11.531 0.563 -8.715 129 HA2 GLY 16 HA2 GLY 16 12.257 2.820 -10.330 130 HA3 GLY 16 HA3 GLY 16 11.109 1.563 -10.740 131 H MET 17 H MET 17 9.821 2.526 -7.969 132 HA MET 17 HA MET 17 7.880 4.256 -9.331 133 HB2 MET 17 HB2 MET 17 7.038 2.269 -8.094 134 HB3 MET 17 HB3 MET 17 7.682 2.924 -6.594 135 HG2 MET 17 HG2 MET 17 6.087 4.687 -6.566 136 HG3 MET 17 HG3 MET 17 5.655 4.433 -8.253 137 HE1 MET 17 HE1 MET 17 4.952 3.422 -4.544 138 HE2 MET 17 HE2 MET 17 5.905 2.029 -5.060 139 HE3 MET 17 HE3 MET 17 4.184 1.844 -4.723 140 H LYS 18 H LYS 18 10.305 4.429 -6.776 141 HA LYS 18 HA LYS 18 9.451 6.891 -5.612 142 HB2 LYS 18 HB2 LYS 18 10.955 5.267 -4.455 143 HB3 LYS 18 HB3 LYS 18 12.247 5.683 -5.578 144 HG2 LYS 18 HG2 LYS 18 12.290 7.981 -4.735 145 HG3 LYS 18 HG3 LYS 18 10.906 7.648 -3.687 146 HD2 LYS 18 HD2 LYS 18 12.284 5.972 -2.452 147 HD3 LYS 18 HD3 LYS 18 13.668 6.387 -3.472 148 HE2 LYS 18 HE2 LYS 18 13.662 8.673 -2.595 149 HE3 LYS 18 HE3 LYS 18 12.207 8.338 -1.650 150 HZ1 LYS 18 HZ1 LYS 18 14.846 7.032 -1.292 151 HZ2 LYS 18 HZ2 LYS 18 13.452 6.691 -0.403 152 HZ3 LYS 18 HZ3 LYS 18 14.175 8.212 -0.290 153 H GLY 19 H GLY 19 9.594 8.882 -6.395 154 HA2 GLY 19 HA2 GLY 19 10.436 10.776 -7.457 155 HA3 GLY 19 HA3 GLY 19 11.760 9.828 -8.109 156 H ALA 20 H ALA 20 8.887 8.212 -8.744 157 HA ALA 20 HA ALA 20 9.124 8.663 -11.565 158 HB1 ALA 20 HB1 ALA 20 7.009 7.107 -10.046 159 HB2 ALA 20 HB2 ALA 20 8.530 6.461 -10.667 160 HB3 ALA 20 HB3 ALA 20 7.297 7.039 -11.788 161 H GLU 21 H GLU 21 7.679 9.591 -13.006 162 HA GLU 21 HA GLU 21 6.092 11.818 -12.091 163 HB2 GLU 21 HB2 GLU 21 6.423 10.648 -14.890 164 HB3 GLU 21 HB3 GLU 21 5.702 12.214 -14.512 165 HG2 GLU 21 HG2 GLU 21 7.867 12.990 -13.612 166 HG3 GLU 21 HG3 GLU 21 8.587 11.423 -13.979 167 H ALA 22 H ALA 22 4.295 11.172 -10.996 168 HA ALA 22 HA ALA 22 2.432 9.194 -12.158 169 HB1 ALA 22 HB1 ALA 22 3.189 8.775 -9.854 170 HB2 ALA 22 HB2 ALA 22 1.451 9.071 -9.907 171 HB3 ALA 22 HB3 ALA 22 2.547 10.338 -9.345 172 H THR 23 H THR 23 0.106 9.630 -11.929 173 HA THR 23 HA THR 23 -0.715 12.424 -11.428 174 HB THR 23 HB THR 23 -1.866 10.739 -13.713 175 HG1 THR 23 HG1 THR 23 0.297 12.476 -13.623 176 HG21 THR 23 HG21 THR 23 -3.461 12.389 -12.751 177 HG22 THR 23 HG22 THR 23 -2.983 12.824 -14.393 178 HG23 THR 23 HG23 THR 23 -2.273 13.674 -13.021 179 H VAL 24 H VAL 24 -2.567 12.571 -10.181 180 HA VAL 24 HA VAL 24 -3.369 10.223 -8.709 181 HB VAL 24 HB VAL 24 -4.560 13.036 -8.578 182 HG11 VAL 24 HG11 VAL 24 -4.755 10.754 -6.561 183 HG12 VAL 24 HG12 VAL 24 -6.069 11.355 -7.577 184 HG13 VAL 24 HG13 VAL 24 -5.379 12.389 -6.325 185 HG21 VAL 24 HG21 VAL 24 -2.334 11.825 -6.889 186 HG22 VAL 24 HG22 VAL 24 -3.081 13.401 -6.617 187 HG23 VAL 24 HG23 VAL 24 -2.153 13.110 -8.090 188 H THR 25 H THR 25 -4.779 8.783 -9.589 189 HA THR 25 HA THR 25 -7.080 9.735 -11.198 190 HB THR 25 HB THR 25 -7.311 7.342 -11.937 191 HG1 THR 25 HG1 THR 25 -4.879 6.434 -11.352 192 HG21 THR 25 HG21 THR 25 -6.068 8.932 -13.352 193 HG22 THR 25 HG22 THR 25 -5.331 7.330 -13.430 194 HG23 THR 25 HG23 THR 25 -4.585 8.598 -12.454 195 H GLY 26 H GLY 26 -6.412 8.773 -8.011 196 HA2 GLY 26 HA2 GLY 26 -9.236 8.776 -7.391 197 HA3 GLY 26 HA3 GLY 26 -8.462 7.220 -7.110 198 H ALA 27 H ALA 27 -9.669 9.112 -5.194 199 HA ALA 27 HA ALA 27 -7.383 9.412 -3.323 200 HB1 ALA 27 HB1 ALA 27 -8.424 11.461 -2.420 201 HB2 ALA 27 HB2 ALA 27 -9.727 11.345 -3.607 202 HB3 ALA 27 HB3 ALA 27 -8.073 11.648 -4.142 203 H TYR 28 H TYR 28 -7.681 7.961 -1.709 204 HA TYR 28 HA TYR 28 -10.422 7.202 -0.826 205 HB2 TYR 28 HB2 TYR 28 -7.839 5.577 -0.716 206 HB3 TYR 28 HB3 TYR 28 -9.399 5.034 -0.118 207 HD1 TYR 28 HD1 TYR 28 -7.753 6.211 -3.305 208 HD2 TYR 28 HD2 TYR 28 -10.747 3.723 -1.531 209 HE1 TYR 28 HE1 TYR 28 -8.215 5.196 -5.497 210 HE2 TYR 28 HE2 TYR 28 -11.194 2.705 -3.712 211 HH TYR 28 HH TYR 28 -10.938 3.350 -6.139 212 H ASP 29 H ASP 29 -10.900 8.080 1.140 213 HA ASP 29 HA ASP 29 -8.741 8.545 3.119 214 HB2 ASP 29 HB2 ASP 29 -10.186 10.492 2.537 215 HB3 ASP 29 HB3 ASP 29 -11.600 9.603 3.098 216 H THR 30 H THR 30 -8.464 6.459 3.789 217 HA THR 30 HA THR 30 -10.553 5.192 5.459 218 HB THR 30 HB THR 30 -10.676 4.000 3.335 219 HG1 THR 30 HG1 THR 30 -10.919 2.468 4.837 220 HG21 THR 30 HG21 THR 30 -8.466 4.596 2.404 221 HG22 THR 30 HG22 THR 30 -8.744 2.857 2.319 222 HG23 THR 30 HG23 THR 30 -7.680 3.517 3.562 223 H THR 31 H THR 31 -9.575 3.424 6.882 224 HA THR 31 HA THR 31 -7.158 4.323 8.179 225 HB THR 31 HB THR 31 -8.677 1.717 8.685 226 HG1 THR 31 HG1 THR 31 -9.361 4.277 9.233 227 HG21 THR 31 HG21 THR 31 -6.377 1.735 9.643 228 HG22 THR 31 HG22 THR 31 -7.606 1.769 10.907 229 HG23 THR 31 HG23 THR 31 -6.746 3.250 10.480 230 H ALA 32 H ALA 32 -5.126 3.603 7.838 231 HA ALA 32 HA ALA 32 -4.632 1.357 5.967 232 HB1 ALA 32 HB1 ALA 32 -3.829 3.547 5.158 233 HB2 ALA 32 HB2 ALA 32 -2.480 2.456 5.477 234 HB3 ALA 32 HB3 ALA 32 -2.859 3.746 6.621 235 H TYR 33 H TYR 33 -2.744 -0.009 6.507 236 HA TYR 33 HA TYR 33 -2.131 -0.220 9.385 237 HB2 TYR 33 HB2 TYR 33 -3.296 -2.458 7.666 238 HB3 TYR 33 HB3 TYR 33 -2.543 -2.736 9.233 239 HD1 TYR 33 HD1 TYR 33 -3.513 -1.250 11.218 240 HD2 TYR 33 HD2 TYR 33 -5.660 -2.158 7.638 241 HE1 TYR 33 HE1 TYR 33 -5.628 -0.795 12.368 242 HE2 TYR 33 HE2 TYR 33 -7.770 -1.698 8.806 243 HH TYR 33 HH TYR 33 -7.961 -0.095 11.739 244 H VAL 34 H VAL 34 -0.283 -1.144 9.919 245 HA VAL 34 HA VAL 34 1.753 -1.822 7.893 246 HB VAL 34 HB VAL 34 2.066 -1.258 10.889 247 HG11 VAL 34 HG11 VAL 34 4.157 -1.448 8.693 248 HG12 VAL 34 HG12 VAL 34 3.909 -2.602 10.007 249 HG13 VAL 34 HG13 VAL 34 4.476 -0.970 10.363 250 HG21 VAL 34 HG21 VAL 34 1.224 0.763 9.771 251 HG22 VAL 34 HG22 VAL 34 2.514 0.665 8.572 252 HG23 VAL 34 HG23 VAL 34 2.904 0.992 10.262 253 H VAL 35 H VAL 35 1.813 -4.042 7.503 254 HA VAL 35 HA VAL 35 1.150 -5.912 9.731 255 HB VAL 35 HB VAL 35 0.361 -7.555 8.032 256 HG11 VAL 35 HG11 VAL 35 -1.284 -6.131 9.162 257 HG12 VAL 35 HG12 VAL 35 -1.796 -6.459 7.506 258 HG13 VAL 35 HG13 VAL 35 -1.103 -4.889 7.920 259 HG21 VAL 35 HG21 VAL 35 1.646 -6.801 6.061 260 HG22 VAL 35 HG22 VAL 35 0.709 -5.308 5.993 261 HG23 VAL 35 HG23 VAL 35 -0.078 -6.859 5.680 262 H SER 36 H SER 36 2.360 -7.743 10.028 263 HA SER 36 HA SER 36 4.808 -8.163 8.397 264 HB2 SER 36 HB2 SER 36 5.796 -9.132 10.552 265 HB3 SER 36 HB3 SER 36 5.520 -7.389 10.567 266 HG SER 36 HG SER 36 3.845 -7.630 11.905 267 H TYR 37 H TYR 37 5.019 -10.168 7.509 268 HA TYR 37 HA TYR 37 3.422 -12.442 8.395 269 HB2 TYR 37 HB2 TYR 37 2.316 -12.775 6.203 270 HB3 TYR 37 HB3 TYR 37 1.822 -11.260 6.935 271 HD1 TYR 37 HD2 TYR 37 2.582 -9.083 5.960 272 HD2 TYR 37 HD1 TYR 37 3.561 -12.795 4.066 273 HE1 TYR 37 HE2 TYR 37 3.145 -7.889 3.894 274 HE2 TYR 37 HE1 TYR 37 4.131 -11.584 2.001 275 HH TYR 37 HH TYR 37 4.527 -8.205 1.897 276 H THR 38 H THR 38 3.992 -14.413 7.323 277 HA THR 38 HA THR 38 6.647 -14.406 5.999 278 HB THR 38 HB THR 38 5.313 -16.721 7.480 279 HG1 THR 38 HG1 THR 38 7.021 -16.250 9.036 280 HG21 THR 38 HG21 THR 38 8.150 -16.439 6.392 281 HG22 THR 38 HG22 THR 38 6.893 -17.478 5.713 282 HG23 THR 38 HG23 THR 38 7.539 -17.808 7.322 283 HA PRO 39 HA PRO 39 4.124 -15.271 2.236 284 HB2 PRO 39 HB2 PRO 39 6.923 -16.048 1.371 285 HB3 PRO 39 HB3 PRO 39 5.689 -15.133 0.489 286 HG2 PRO 39 HG2 PRO 39 7.683 -13.833 1.666 287 HG3 PRO 39 HG3 PRO 39 6.030 -13.185 1.766 288 HD2 PRO 39 HD2 PRO 39 7.636 -14.628 3.862 289 HD3 PRO 39 HD3 PRO 39 6.483 -13.285 4.047 290 H THR 40 H THR 40 2.927 -17.040 2.104 291 HA THR 40 HA THR 40 3.407 -19.535 3.296 292 HB THR 40 HB THR 40 1.363 -20.321 2.049 293 HG1 THR 40 HG1 THR 40 0.333 -18.461 0.810 294 HG21 THR 40 HG21 THR 40 -0.225 -18.697 3.016 295 HG22 THR 40 HG22 THR 40 1.087 -17.545 3.264 296 HG23 THR 40 HG23 THR 40 1.072 -19.067 4.157 297 H ASN 41 H ASN 41 4.256 -18.445 0.094 298 HA ASN 41 HA ASN 41 4.593 -21.071 -1.082 299 HB2 ASN 41 HB2 ASN 41 3.948 -18.944 -2.343 300 HB3 ASN 41 HB3 ASN 41 5.613 -18.403 -2.154 301 HD21 ASN 41 HD21 ASN 41 6.017 -18.390 -4.376 302 HD22 ASN 41 HD22 ASN 41 6.114 -19.826 -5.324 303 H GLY 42 H GLY 42 6.315 -19.883 1.350 304 HA2 GLY 42 HA2 GLY 42 8.300 -20.707 2.236 305 HA3 GLY 42 HA3 GLY 42 8.718 -21.384 0.668 306 H GLY 43 H GLY 43 8.001 -18.090 1.842 307 HA2 GLY 43 HA2 GLY 43 10.553 -17.119 0.650 308 HA3 GLY 43 HA3 GLY 43 9.070 -16.184 0.725 309 H GLN 44 H GLN 44 11.537 -15.242 1.645 310 HA GLN 44 HA GLN 44 11.924 -15.327 4.427 311 HB2 GLN 44 HB2 GLN 44 13.609 -14.340 2.973 312 HB3 GLN 44 HB3 GLN 44 12.485 -13.119 2.402 313 HG2 GLN 44 HG2 GLN 44 14.051 -12.091 3.927 314 HG3 GLN 44 HG3 GLN 44 12.455 -12.103 4.672 315 HE21 GLN 44 HE21 GLN 44 15.691 -13.402 4.812 316 HE22 GLN 44 HE22 GLN 44 15.553 -14.111 6.381 317 H ARG 45 H ARG 45 10.910 -14.387 6.124 318 HA ARG 45 HA ARG 45 8.307 -13.389 6.023 319 HB2 ARG 45 HB2 ARG 45 9.124 -14.408 8.034 320 HB3 ARG 45 HB3 ARG 45 10.435 -13.256 8.190 321 HG2 ARG 45 HG2 ARG 45 7.624 -12.189 8.373 322 HG3 ARG 45 HG3 ARG 45 8.217 -13.160 9.718 323 HD2 ARG 45 HD2 ARG 45 10.180 -11.610 9.916 324 HD3 ARG 45 HD3 ARG 45 9.478 -10.609 8.649 325 HE ARG 45 HE ARG 45 7.781 -9.925 10.126 326 HH11 ARG 45 HH11 ARG 45 10.010 -12.046 11.735 327 HH12 ARG 45 HH12 ARG 45 9.545 -11.501 13.303 328 HH21 ARG 45 HH21 ARG 45 7.264 -9.220 12.138 329 HH22 ARG 45 HH22 ARG 45 8.013 -9.919 13.525 330 H VAL 46 H VAL 46 7.573 -11.547 5.257 331 HA VAL 46 HA VAL 46 9.225 -9.158 4.951 332 HB VAL 46 HB VAL 46 6.308 -9.597 4.161 333 HG11 VAL 46 HG11 VAL 46 8.302 -7.500 3.212 334 HG12 VAL 46 HG12 VAL 46 6.914 -7.218 4.267 335 HG13 VAL 46 HG13 VAL 46 6.660 -7.714 2.594 336 HG21 VAL 46 HG21 VAL 46 7.726 -11.283 3.053 337 HG22 VAL 46 HG22 VAL 46 8.791 -10.015 2.440 338 HG23 VAL 46 HG23 VAL 46 7.120 -10.112 1.879 339 H ASP 47 H ASP 47 9.352 -7.734 6.611 340 HA ASP 47 HA ASP 47 7.266 -7.698 8.719 341 HB2 ASP 47 HB2 ASP 47 9.545 -8.423 9.418 342 HB3 ASP 47 HB3 ASP 47 10.205 -6.887 8.859 343 H HIS 48 H HIS 48 6.335 -5.773 9.329 344 HA HIS 48 HA HIS 48 5.364 -3.748 9.036 345 HB2 HIS 48 HB2 HIS 48 8.303 -3.036 8.845 346 HB3 HIS 48 HB3 HIS 48 7.067 -1.789 8.751 347 HD1 HIS 48 HD1 HIS 48 6.789 -0.677 10.937 348 HD2 HIS 48 HD2 HIS 48 7.612 -4.710 11.386 349 HE1 HIS 48 HE1 HIS 48 6.847 -1.072 13.409 350 HE2 HIS 48 HE2 HIS 48 7.213 -3.541 13.651 351 H HIS 49 H HIS 49 5.189 -5.277 6.757 352 HA HIS 49 HA HIS 49 5.762 -3.916 4.337 353 HB2 HIS 49 HB2 HIS 49 5.236 -6.353 4.466 354 HB3 HIS 49 HB3 HIS 49 3.568 -5.963 4.872 355 HD2 HIS 49 HD2 HIS 49 1.992 -5.017 2.708 356 HE1 HIS 49 HE1 HIS 49 4.904 -5.904 -0.226 357 HE2 HIS 49 HE2 HIS 49 2.574 -5.027 0.186 358 H LYS 50 H LYS 50 4.773 -2.291 3.347 359 HA LYS 50 HA LYS 50 2.028 -1.468 4.050 360 HB2 LYS 50 HB2 LYS 50 4.406 0.434 3.809 361 HB3 LYS 50 HB3 LYS 50 2.734 0.914 4.065 362 HG2 LYS 50 HG2 LYS 50 2.802 -0.310 6.273 363 HG3 LYS 50 HG3 LYS 50 4.531 -0.571 6.017 364 HD2 LYS 50 HD2 LYS 50 3.114 2.114 6.279 365 HD3 LYS 50 HD3 LYS 50 4.160 1.361 7.483 366 HE2 LYS 50 HE2 LYS 50 6.094 1.609 5.992 367 HE3 LYS 50 HE3 LYS 50 5.061 2.272 4.725 368 HZ1 LYS 50 HZ1 LYS 50 4.518 4.102 6.262 369 HZ2 LYS 50 HZ2 LYS 50 6.148 4.048 5.835 370 HZ3 LYS 50 HZ3 LYS 50 5.657 3.500 7.356 371 H TRP 51 H TRP 51 1.568 -0.286 0.651 372 HA TRP 51 HA TRP 51 0.659 -0.360 3.468 373 HB2 TRP 51 HB2 TRP 51 -0.262 1.378 1.141 374 HB3 TRP 51 HB3 TRP 51 -1.026 1.373 2.729 375 HD1 TRP 51 HD1 TRP 51 2.226 2.457 0.982 376 HE1 TRP 51 HE1 TRP 51 3.418 4.157 2.472 377 HE3 TRP 51 HE3 TRP 51 -0.733 2.141 5.146 378 HZ2 TRP 51 HZ2 TRP 51 3.172 5.242 5.049 379 HZ3 TRP 51 HZ3 TRP 51 -0.180 3.550 7.091 380 HH2 TRP 51 HH2 TRP 51 1.737 5.065 7.033 381 H VAL 52 H VAL 52 -1.040 -1.479 4.063 382 HA VAL 52 HA VAL 52 -3.035 -2.474 2.107 383 HB VAL 52 HB VAL 52 -3.486 -4.407 3.624 384 HG11 VAL 52 HG11 VAL 52 -1.475 -5.759 3.109 385 HG12 VAL 52 HG12 VAL 52 -0.574 -4.288 2.736 386 HG13 VAL 52 HG13 VAL 52 -1.948 -4.758 1.732 387 HG21 VAL 52 HG21 VAL 52 -2.739 -3.441 5.768 388 HG22 VAL 52 HG22 VAL 52 -1.062 -3.468 5.221 389 HG23 VAL 52 HG23 VAL 52 -1.931 -4.983 5.478 390 H ILE 53 H ILE 53 -5.197 -2.047 2.693 391 HA ILE 53 HA ILE 53 -5.537 -0.236 5.028 392 HB ILE 53 HB ILE 53 -7.428 0.800 3.887 393 HG12 ILE 53 HG12 ILE 53 -6.860 -1.065 1.528 394 HG13 ILE 53 HG13 ILE 53 -8.248 -1.195 2.604 395 HG21 ILE 53 HG21 ILE 53 -4.984 0.663 2.073 396 HG22 ILE 53 HG22 ILE 53 -5.176 1.719 3.477 397 HG23 ILE 53 HG23 ILE 53 -6.207 1.938 2.062 398 HD11 ILE 53 HD11 ILE 53 -7.642 1.062 0.702 399 HD12 ILE 53 HD12 ILE 53 -9.006 1.030 1.825 400 HD13 ILE 53 HD13 ILE 53 -8.895 -0.166 0.533 401 H GLN 54 H GLN 54 -7.818 -0.215 5.962 402 HA GLN 54 HA GLN 54 -8.528 -2.625 7.103 403 HB2 GLN 54 HB2 GLN 54 -9.099 -0.280 7.881 404 HB3 GLN 54 HB3 GLN 54 -10.402 -0.259 6.698 405 HG2 GLN 54 HG2 GLN 54 -11.480 -2.151 7.858 406 HG3 GLN 54 HG3 GLN 54 -10.155 -2.198 9.022 407 HE21 GLN 54 HE21 GLN 54 -11.427 -1.759 10.809 408 HE22 GLN 54 HE22 GLN 54 -12.205 -0.241 11.070 409 H GLU 55 H GLU 55 -9.817 -1.190 4.102 410 HA GLU 55 HA GLU 55 -11.952 -3.040 3.686 411 HB2 GLU 55 HB2 GLU 55 -11.835 -0.768 2.676 412 HB3 GLU 55 HB3 GLU 55 -10.432 -1.251 1.740 413 HG2 GLU 55 HG2 GLU 55 -12.219 -1.310 0.221 414 HG3 GLU 55 HG3 GLU 55 -11.931 -2.997 0.629 415 H GLU 56 H GLU 56 -8.528 -3.210 3.208 416 HA GLU 56 HA GLU 56 -8.555 -5.095 0.973 417 HB2 GLU 56 HB2 GLU 56 -6.939 -3.104 1.252 418 HB3 GLU 56 HB3 GLU 56 -6.137 -4.038 2.501 419 HG2 GLU 56 HG2 GLU 56 -4.881 -4.275 0.484 420 HG3 GLU 56 HG3 GLU 56 -5.677 -5.815 0.796 421 H ILE 57 H ILE 57 -8.703 -5.314 4.333 422 HA ILE 57 HA ILE 57 -7.281 -7.919 4.542 423 HB ILE 57 HB ILE 57 -7.965 -5.881 6.716 424 HG12 ILE 57 HG12 ILE 57 -5.246 -6.728 5.593 425 HG13 ILE 57 HG13 ILE 57 -6.057 -5.205 5.241 426 HG21 ILE 57 HG21 ILE 57 -8.129 -8.148 7.651 427 HG22 ILE 57 HG22 ILE 57 -6.698 -7.335 8.284 428 HG23 ILE 57 HG23 ILE 57 -6.529 -8.549 7.015 429 HD11 ILE 57 HD11 ILE 57 -5.834 -4.553 7.595 430 HD12 ILE 57 HD12 ILE 57 -4.274 -4.914 6.857 431 HD13 ILE 57 HD13 ILE 57 -5.022 -6.086 7.939 432 H LYS 58 H LYS 58 -8.399 -9.741 5.216 433 HA LYS 58 HA LYS 58 -11.264 -9.783 5.112 434 HB2 LYS 58 HB2 LYS 58 -10.026 -11.682 4.269 435 HB3 LYS 58 HB3 LYS 58 -9.233 -11.942 5.813 436 HG2 LYS 58 HG2 LYS 58 -11.165 -12.857 6.804 437 HG3 LYS 58 HG3 LYS 58 -12.241 -12.159 5.593 438 HD2 LYS 58 HD2 LYS 58 -10.228 -14.372 5.010 439 HD3 LYS 58 HD3 LYS 58 -11.930 -14.655 5.395 440 HE2 LYS 58 HE2 LYS 58 -12.565 -13.268 3.411 441 HE3 LYS 58 HE3 LYS 58 -10.856 -13.110 3.005 442 HZ1 LYS 58 HZ1 LYS 58 -11.996 -14.841 1.746 443 HZ2 LYS 58 HZ2 LYS 58 -12.331 -15.674 3.178 444 HZ3 LYS 58 HZ3 LYS 58 -10.729 -15.467 2.678 445 H ASP 59 H ASP 59 -8.988 -10.520 7.757 446 HA ASP 59 HA ASP 59 -10.872 -11.007 9.785 447 HB2 ASP 59 HB2 ASP 59 -8.519 -11.789 9.769 448 HB3 ASP 59 HB3 ASP 59 -7.966 -10.139 9.997 449 H ALA 60 H ALA 60 -10.015 -7.978 8.413 450 HA ALA 60 HA ALA 60 -10.177 -6.120 10.441 451 HB1 ALA 60 HB1 ALA 60 -11.331 -5.848 7.647 452 HB2 ALA 60 HB2 ALA 60 -9.651 -5.580 8.101 453 HB3 ALA 60 HB3 ALA 60 -10.907 -4.515 8.731 454 H GLY 61 H GLY 61 -13.081 -7.163 8.485 455 HA2 GLY 61 HA2 GLY 61 -15.312 -7.087 8.947 456 HA3 GLY 61 HA3 GLY 61 -14.831 -7.398 10.605 457 H ASP 62 H ASP 62 -14.049 -4.425 8.815 458 HA ASP 62 HA ASP 62 -14.285 -2.230 9.312 459 HB2 ASP 62 HB2 ASP 62 -17.042 -3.174 10.195 460 HB3 ASP 62 HB3 ASP 62 -16.587 -1.472 10.196 461 H LYS 63 H LYS 63 -13.480 -4.269 11.547 462 HA LYS 63 HA LYS 63 -13.730 -2.641 13.979 463 HB2 LYS 63 HB2 LYS 63 -14.096 -5.039 14.208 464 HB3 LYS 63 HB3 LYS 63 -12.594 -5.413 13.384 465 HG2 LYS 63 HG2 LYS 63 -11.374 -4.346 15.342 466 HG3 LYS 63 HG3 LYS 63 -12.932 -4.262 16.165 467 HD2 LYS 63 HD2 LYS 63 -11.783 -6.240 16.954 468 HD3 LYS 63 HD3 LYS 63 -13.123 -6.771 15.942 469 HE2 LYS 63 HE2 LYS 63 -10.278 -6.547 14.894 470 HE3 LYS 63 HE3 LYS 63 -10.889 -8.006 15.665 471 HZ1 LYS 63 HZ1 LYS 63 -11.981 -6.770 13.193 472 HZ2 LYS 63 HZ2 LYS 63 -12.576 -8.163 13.934 473 HZ3 LYS 63 HZ3 LYS 63 -11.022 -8.158 13.271 474 H THR 64 H THR 64 -11.967 -1.666 14.994 475 HA THR 64 HA THR 64 -9.718 -0.860 13.395 476 HB THR 64 HB THR 64 -10.128 -0.482 16.400 477 HG1 THR 64 HG1 THR 64 -11.674 0.440 14.633 478 HG21 THR 64 HG21 THR 64 -7.784 -0.051 15.709 479 HG22 THR 64 HG22 THR 64 -8.594 1.449 16.160 480 HG23 THR 64 HG23 THR 64 -8.355 1.060 14.456 481 H LEU 65 H LEU 65 -8.158 -2.302 12.937 482 HA LEU 65 HA LEU 65 -7.372 -4.474 14.676 483 HB2 LEU 65 HB2 LEU 65 -6.107 -3.473 12.101 484 HB3 LEU 65 HB3 LEU 65 -5.798 -5.020 12.865 485 HG LEU 65 HG LEU 65 -8.492 -4.168 11.716 486 HD11 LEU 65 HD11 LEU 65 -6.848 -4.403 9.928 487 HD12 LEU 65 HD12 LEU 65 -8.042 -5.696 9.858 488 HD13 LEU 65 HD13 LEU 65 -6.428 -6.022 10.495 489 HD21 LEU 65 HD21 LEU 65 -8.722 -5.809 13.539 490 HD22 LEU 65 HD22 LEU 65 -7.596 -6.898 12.722 491 HD23 LEU 65 HD23 LEU 65 -9.155 -6.518 11.986 492 H GLN 66 H GLN 66 -5.621 -4.524 16.040 493 HA GLN 66 HA GLN 66 -4.157 -1.971 16.493 494 HB2 GLN 66 HB2 GLN 66 -5.206 -3.883 18.635 495 HB3 GLN 66 HB3 GLN 66 -4.444 -2.316 18.908 496 HG2 GLN 66 HG2 GLN 66 -6.366 -1.184 17.870 497 HG3 GLN 66 HG3 GLN 66 -7.108 -2.743 17.516 498 HE21 GLN 66 HE21 GLN 66 -8.952 -2.322 18.720 499 HE22 GLN 66 HE22 GLN 66 -8.945 -2.228 20.442 500 HA PRO 67 HA PRO 67 -0.192 -4.120 16.537 501 HB2 PRO 67 HB2 PRO 67 0.185 -2.994 19.319 502 HB3 PRO 67 HB3 PRO 67 1.309 -2.995 17.950 503 HG2 PRO 67 HG2 PRO 67 -0.038 -0.782 18.538 504 HG3 PRO 67 HG3 PRO 67 0.150 -1.264 16.837 505 HD2 PRO 67 HD2 PRO 67 -2.260 -1.504 18.628 506 HD3 PRO 67 HD3 PRO 67 -2.173 -1.117 16.894 507 H GLY 68 H GLY 68 -0.018 -6.273 16.762 508 HA2 GLY 68 HA2 GLY 68 0.486 -8.218 18.110 509 HA3 GLY 68 HA3 GLY 68 -0.606 -7.628 19.347 510 H ASP 69 H ASP 69 -2.601 -6.975 17.036 511 HA ASP 69 HA ASP 69 -4.076 -9.434 17.182 512 HB2 ASP 69 HB2 ASP 69 -4.558 -6.879 15.598 513 HB3 ASP 69 HB3 ASP 69 -5.651 -8.263 15.521 514 H GLN 70 H GLN 70 -4.452 -10.988 15.665 515 HA GLN 70 HA GLN 70 -2.528 -11.148 13.430 516 HB2 GLN 70 HB2 GLN 70 -2.462 -12.897 15.237 517 HB3 GLN 70 HB3 GLN 70 -4.098 -13.373 14.802 518 HG2 GLN 70 HG2 GLN 70 -3.374 -14.157 12.644 519 HG3 GLN 70 HG3 GLN 70 -1.763 -13.479 12.875 520 HE21 GLN 70 HE21 GLN 70 -0.344 -14.501 14.329 521 HE22 GLN 70 HE22 GLN 70 -0.577 -16.133 14.836 522 H VAL 71 H VAL 71 -3.282 -10.961 11.387 523 HA VAL 71 HA VAL 71 -6.171 -11.263 10.813 524 HB VAL 71 HB VAL 71 -5.993 -9.407 9.215 525 HG11 VAL 71 HG11 VAL 71 -4.919 -8.629 11.956 526 HG12 VAL 71 HG12 VAL 71 -6.616 -8.835 11.516 527 HG13 VAL 71 HG13 VAL 71 -5.676 -7.524 10.803 528 HG21 VAL 71 HG21 VAL 71 -3.652 -9.645 8.484 529 HG22 VAL 71 HG22 VAL 71 -3.073 -9.140 10.071 530 HG23 VAL 71 HG23 VAL 71 -3.938 -7.994 9.042 531 H ILE 72 H ILE 72 -6.669 -11.654 8.487 532 HA ILE 72 HA ILE 72 -4.632 -13.259 7.046 533 HB ILE 72 HB ILE 72 -7.679 -13.371 6.855 534 HG12 ILE 72 HG12 ILE 72 -6.781 -14.467 8.896 535 HG13 ILE 72 HG13 ILE 72 -7.466 -15.657 7.796 536 HG21 ILE 72 HG21 ILE 72 -6.756 -13.782 4.625 537 HG22 ILE 72 HG22 ILE 72 -7.382 -15.290 5.290 538 HG23 ILE 72 HG23 ILE 72 -5.641 -14.990 5.272 539 HD11 ILE 72 HD11 ILE 72 -4.526 -15.078 8.182 540 HD12 ILE 72 HD12 ILE 72 -5.200 -16.261 7.056 541 HD13 ILE 72 HD13 ILE 72 -5.418 -16.472 8.792 542 H LEU 73 H LEU 73 -4.019 -12.668 5.021 543 HA LEU 73 HA LEU 73 -4.940 -10.090 3.941 544 HB2 LEU 73 HB2 LEU 73 -2.532 -11.802 3.195 545 HB3 LEU 73 HB3 LEU 73 -2.869 -10.187 2.584 546 HG LEU 73 HG LEU 73 -2.235 -10.873 5.490 547 HD11 LEU 73 HD11 LEU 73 -0.491 -9.490 3.424 548 HD12 LEU 73 HD12 LEU 73 -0.272 -11.129 4.046 549 HD13 LEU 73 HD13 LEU 73 -0.091 -9.749 5.126 550 HD21 LEU 73 HD21 LEU 73 -2.137 -8.435 5.873 551 HD22 LEU 73 HD22 LEU 73 -3.744 -8.940 5.361 552 HD23 LEU 73 HD23 LEU 73 -2.666 -8.143 4.213 553 H GLU 74 H GLU 74 -6.541 -10.200 2.493 554 HA GLU 74 HA GLU 74 -7.059 -12.437 0.733 555 HB2 GLU 74 HB2 GLU 74 -8.234 -9.627 0.705 556 HB3 GLU 74 HB3 GLU 74 -8.849 -11.009 -0.206 557 HG2 GLU 74 HG2 GLU 74 -9.411 -12.164 1.864 558 HG3 GLU 74 HG3 GLU 74 -8.718 -10.846 2.815 559 H ALA 75 H ALA 75 -5.536 -9.270 0.428 560 HA ALA 75 HA ALA 75 -5.127 -9.454 -2.449 561 HB1 ALA 75 HB1 ALA 75 -3.956 -7.291 -2.189 562 HB2 ALA 75 HB2 ALA 75 -4.089 -7.429 -0.431 563 HB3 ALA 75 HB3 ALA 75 -5.542 -7.269 -1.416 564 H SER 76 H SER 76 -2.970 -9.199 -3.381 565 HA SER 76 HA SER 76 -0.681 -10.043 -1.750 566 HB2 SER 76 HB2 SER 76 0.037 -11.660 -3.555 567 HB3 SER 76 HB3 SER 76 -1.426 -12.148 -2.709 568 HG SER 76 HG SER 76 -2.621 -11.276 -4.474 569 H HIS 77 H HIS 77 0.866 -8.552 -2.064 570 HA HIS 77 HA HIS 77 1.298 -7.301 -4.689 571 HB2 HIS 77 HB2 HIS 77 2.720 -6.821 -2.019 572 HB3 HIS 77 HB3 HIS 77 2.862 -5.831 -3.468 573 HD2 HIS 77 HD2 HIS 77 -0.673 -5.948 -3.689 574 HE1 HIS 77 HE1 HIS 77 -0.107 -3.356 -0.391 575 HE2 HIS 77 HE2 HIS 77 -1.660 -4.012 -2.278 576 H MET 78 H MET 78 2.069 -10.149 -3.286 577 HA MET 78 HA MET 78 4.361 -10.675 -4.957 578 HB2 MET 78 HB2 MET 78 5.828 -11.472 -3.104 579 HB3 MET 78 HB3 MET 78 5.525 -9.743 -3.031 580 HG2 MET 78 HG2 MET 78 3.866 -10.111 -1.239 581 HG3 MET 78 HG3 MET 78 4.196 -11.846 -1.308 582 HE1 MET 78 HE1 MET 78 5.616 -8.290 -0.373 583 HE2 MET 78 HE2 MET 78 6.765 -8.807 -1.610 584 HE3 MET 78 HE3 MET 78 7.280 -8.674 0.071 585 H LYS 79 H LYS 79 5.111 -12.993 -4.633 586 HA LYS 79 HA LYS 79 3.099 -14.606 -5.623 587 HB2 LYS 79 HB2 LYS 79 4.803 -16.436 -5.538 588 HB3 LYS 79 HB3 LYS 79 5.429 -14.922 -6.187 589 HG2 LYS 79 HG2 LYS 79 6.371 -14.436 -3.875 590 HG3 LYS 79 HG3 LYS 79 5.927 -16.086 -3.430 591 HD2 LYS 79 HD2 LYS 79 7.432 -16.978 -5.162 592 HD3 LYS 79 HD3 LYS 79 7.825 -15.338 -5.692 593 HE2 LYS 79 HE2 LYS 79 8.801 -14.883 -3.434 594 HE3 LYS 79 HE3 LYS 79 8.477 -16.560 -2.983 595 HZ1 LYS 79 HZ1 LYS 79 10.290 -15.620 -5.138 596 HZ2 LYS 79 HZ2 LYS 79 9.919 -17.242 -4.836 597 HZ3 LYS 79 HZ3 LYS 79 10.739 -16.337 -3.668 598 H GLY 80 H GLY 80 4.121 -14.449 -2.218 599 HA2 GLY 80 HA2 GLY 80 2.218 -16.658 -1.555 600 HA3 GLY 80 HA3 GLY 80 3.746 -16.425 -0.722 601 H MET 81 H MET 81 1.740 -13.670 -1.579 602 HA MET 81 HA MET 81 1.481 -12.989 1.260 603 HB2 MET 81 HB2 MET 81 2.333 -11.290 -0.310 604 HB3 MET 81 HB3 MET 81 0.833 -11.355 -1.219 605 HG2 MET 81 HG2 MET 81 -0.390 -10.442 0.689 606 HG3 MET 81 HG3 MET 81 1.085 -10.457 1.664 607 HE1 MET 81 HE1 MET 81 0.536 -6.614 1.005 608 HE2 MET 81 HE2 MET 81 0.788 -7.849 2.239 609 HE3 MET 81 HE3 MET 81 -0.710 -7.825 1.303 610 H LYS 82 H LYS 82 -0.715 -13.477 -1.552 611 HA LYS 82 HA LYS 82 -3.129 -13.178 -0.076 612 HB2 LYS 82 HB2 LYS 82 -3.114 -13.041 -2.542 613 HB3 LYS 82 HB3 LYS 82 -2.677 -14.746 -2.650 614 HG2 LYS 82 HG2 LYS 82 -4.813 -15.399 -1.657 615 HG3 LYS 82 HG3 LYS 82 -5.238 -13.707 -1.391 616 HD2 LYS 82 HD2 LYS 82 -5.269 -13.354 -3.858 617 HD3 LYS 82 HD3 LYS 82 -4.903 -15.070 -4.092 618 HE2 LYS 82 HE2 LYS 82 -7.017 -15.690 -2.981 619 HE3 LYS 82 HE3 LYS 82 -7.374 -13.989 -2.670 620 HZ1 LYS 82 HZ1 LYS 82 -7.153 -15.257 -5.340 621 HZ2 LYS 82 HZ2 LYS 82 -7.471 -13.623 -5.054 622 HZ3 LYS 82 HZ3 LYS 82 -8.584 -14.800 -4.569 623 H GLY 83 H GLY 83 -3.949 -14.476 1.446 624 HA2 GLY 83 HA2 GLY 83 -4.681 -16.472 2.428 625 HA3 GLY 83 HA3 GLY 83 -3.600 -17.393 1.393 626 H ALA 84 H ALA 84 -1.787 -14.860 2.537 627 HA ALA 84 HA ALA 84 -0.367 -16.478 4.456 628 HB1 ALA 84 HB1 ALA 84 0.107 -13.573 3.679 629 HB2 ALA 84 HB2 ALA 84 0.863 -14.982 2.933 630 HB3 ALA 84 HB3 ALA 84 1.202 -14.594 4.620 631 H THR 85 H THR 85 -0.135 -16.157 6.600 632 HA THR 85 HA THR 85 -2.208 -14.694 8.061 633 HB THR 85 HB THR 85 0.029 -16.494 9.113 634 HG1 THR 85 HG1 THR 85 -1.823 -17.348 7.687 635 HG21 THR 85 HG21 THR 85 -1.338 -16.635 11.175 636 HG22 THR 85 HG22 THR 85 -2.485 -15.479 10.495 637 HG23 THR 85 HG23 THR 85 -0.833 -14.973 10.853 638 H ALA 86 H ALA 86 -1.821 -12.701 8.876 639 HA ALA 86 HA ALA 86 0.940 -11.638 9.052 640 HB1 ALA 86 HB1 ALA 86 0.043 -9.442 8.366 641 HB2 ALA 86 HB2 ALA 86 -1.571 -10.140 8.205 642 HB3 ALA 86 HB3 ALA 86 -0.271 -10.666 7.134 643 H GLU 87 H GLU 87 1.212 -9.904 10.634 644 HA GLU 87 HA GLU 87 -0.804 -9.750 12.794 645 HB2 GLU 87 HB2 GLU 87 1.054 -11.244 13.480 646 HB3 GLU 87 HB3 GLU 87 2.222 -9.978 13.115 647 HG2 GLU 87 HG2 GLU 87 1.225 -8.571 14.902 648 HG3 GLU 87 HG3 GLU 87 0.096 -9.875 15.278 649 H ILE 88 H ILE 88 -1.347 -7.717 13.307 650 HA ILE 88 HA ILE 88 -0.413 -5.448 11.878 651 HB ILE 88 HB ILE 88 -2.080 -5.477 14.439 652 HG12 ILE 88 HG12 ILE 88 -3.121 -6.896 12.673 653 HG13 ILE 88 HG13 ILE 88 -4.090 -5.476 13.034 654 HG21 ILE 88 HG21 ILE 88 -1.857 -3.313 12.299 655 HG22 ILE 88 HG22 ILE 88 -1.194 -3.233 13.932 656 HG23 ILE 88 HG23 ILE 88 -2.942 -3.272 13.695 657 HD11 ILE 88 HD11 ILE 88 -2.298 -5.826 10.633 658 HD12 ILE 88 HD12 ILE 88 -3.284 -4.404 10.985 659 HD13 ILE 88 HD13 ILE 88 -4.056 -5.955 10.659 660 H ASP 89 H ASP 89 1.532 -4.523 12.232 661 HA ASP 89 HA ASP 89 2.870 -4.418 14.800 662 HB2 ASP 89 HB2 ASP 89 3.501 -2.997 12.179 663 HB3 ASP 89 HB3 ASP 89 4.576 -3.107 13.574 664 H SER 90 H SER 90 0.918 -2.278 12.798 665 HA SER 90 HA SER 90 0.485 -0.337 14.879 666 HB2 SER 90 HB2 SER 90 2.693 0.469 14.186 667 HB3 SER 90 HB3 SER 90 2.212 0.469 12.491 668 HG SER 90 HG SER 90 1.696 2.476 12.881 669 H ALA 91 H ALA 91 -1.187 1.123 14.389 670 HA ALA 91 HA ALA 91 -2.596 0.825 11.790 671 HB1 ALA 91 HB1 ALA 91 -4.664 1.431 12.992 672 HB2 ALA 91 HB2 ALA 91 -3.772 1.548 14.511 673 HB3 ALA 91 HB3 ALA 91 -3.931 -0.010 13.698 674 H GLU 92 H GLU 92 -2.792 2.663 10.593 675 HA GLU 92 HA GLU 92 -2.305 5.317 11.807 676 HB2 GLU 92 HB2 GLU 92 -0.190 4.481 10.765 677 HB3 GLU 92 HB3 GLU 92 -1.012 4.340 9.214 678 HG2 GLU 92 HG2 GLU 92 -1.361 6.752 9.132 679 HG3 GLU 92 HG3 GLU 92 -0.686 6.938 10.750 680 H LYS 93 H LYS 93 -3.929 6.668 11.319 681 HA LYS 93 HA LYS 93 -5.878 5.954 9.231 682 HB2 LYS 93 HB2 LYS 93 -6.086 8.213 11.287 683 HB3 LYS 93 HB3 LYS 93 -7.380 7.565 10.289 684 HG2 LYS 93 HG2 LYS 93 -7.821 6.638 12.396 685 HG3 LYS 93 HG3 LYS 93 -6.982 5.332 11.554 686 HD2 LYS 93 HD2 LYS 93 -4.851 6.045 12.696 687 HD3 LYS 93 HD3 LYS 93 -5.776 7.249 13.595 688 HE2 LYS 93 HE2 LYS 93 -7.092 5.440 14.649 689 HE3 LYS 93 HE3 LYS 93 -6.171 4.238 13.738 690 HZ1 LYS 93 HZ1 LYS 93 -4.164 4.975 14.860 691 HZ2 LYS 93 HZ2 LYS 93 -5.332 4.491 15.981 692 HZ3 LYS 93 HZ3 LYS 93 -5.041 6.133 15.724 693 H THR 94 H THR 94 -4.952 6.576 7.313 694 HA THR 94 HA THR 94 -4.294 9.417 6.895 695 HB THR 94 HB THR 94 -2.118 8.390 7.296 696 HG1 THR 94 HG1 THR 94 -2.289 8.625 4.475 697 HG21 THR 94 HG21 THR 94 -2.631 6.024 6.788 698 HG22 THR 94 HG22 THR 94 -1.221 6.569 5.884 699 HG23 THR 94 HG23 THR 94 -2.775 6.419 5.065 700 H THR 95 H THR 95 -4.418 10.096 4.690 701 HA THR 95 HA THR 95 -6.377 8.661 3.084 702 HB THR 95 HB THR 95 -4.926 11.260 2.381 703 HG1 THR 95 HG1 THR 95 -7.503 10.919 3.564 704 HG21 THR 95 HG21 THR 95 -6.870 11.664 0.883 705 HG22 THR 95 HG22 THR 95 -7.525 10.082 1.305 706 HG23 THR 95 HG23 THR 95 -6.005 10.187 0.418 707 H VAL 96 H VAL 96 -5.909 7.412 1.347 708 HA VAL 96 HA VAL 96 -3.139 7.164 0.369 709 HB VAL 96 HB VAL 96 -3.541 4.701 0.039 710 HG11 VAL 96 HG11 VAL 96 -3.744 5.621 2.935 711 HG12 VAL 96 HG12 VAL 96 -2.258 5.463 1.995 712 HG13 VAL 96 HG13 VAL 96 -3.201 4.027 2.398 713 HG21 VAL 96 HG21 VAL 96 -5.401 3.563 1.226 714 HG22 VAL 96 HG22 VAL 96 -6.018 4.685 0.013 715 HG23 VAL 96 HG23 VAL 96 -6.053 5.130 1.721 716 H TYR 97 H TYR 97 -2.955 7.031 -1.849 717 HA TYR 97 HA TYR 97 -5.402 7.638 -3.392 718 HB2 TYR 97 HB2 TYR 97 -2.517 8.504 -3.900 719 HB3 TYR 97 HB3 TYR 97 -3.899 8.932 -4.908 720 HD1 TYR 97 HD1 TYR 97 -2.299 9.485 -1.604 721 HD2 TYR 97 HD2 TYR 97 -5.480 10.672 -4.201 722 HE1 TYR 97 HE1 TYR 97 -2.777 11.401 -0.157 723 HE2 TYR 97 HE2 TYR 97 -5.941 12.601 -2.748 724 HH TYR 97 HH TYR 97 -5.582 13.240 -0.360 725 H MET 98 H MET 98 -5.632 6.923 -5.471 726 HA MET 98 HA MET 98 -4.010 4.669 -6.456 727 HB2 MET 98 HB2 MET 98 -6.413 4.272 -6.483 728 HB3 MET 98 HB3 MET 98 -6.721 5.820 -7.259 729 HG2 MET 98 HG2 MET 98 -5.737 5.040 -9.325 730 HG3 MET 98 HG3 MET 98 -5.214 3.544 -8.559 731 HE1 MET 98 HE1 MET 98 -9.715 4.501 -9.119 732 HE2 MET 98 HE2 MET 98 -8.452 5.681 -9.470 733 HE3 MET 98 HE3 MET 98 -8.744 5.165 -7.807 734 H VAL 99 H VAL 99 -2.345 5.236 -7.799 735 HA VAL 99 HA VAL 99 -2.587 7.682 -9.473 736 HB VAL 99 HB VAL 99 -0.163 8.125 -9.210 737 HG11 VAL 99 HG11 VAL 99 -1.622 8.028 -6.539 738 HG12 VAL 99 HG12 VAL 99 -1.734 9.316 -7.741 739 HG13 VAL 99 HG13 VAL 99 -0.208 9.024 -6.905 740 HG21 VAL 99 HG21 VAL 99 0.652 5.844 -8.717 741 HG22 VAL 99 HG22 VAL 99 -0.147 5.878 -7.144 742 HG23 VAL 99 HG23 VAL 99 1.197 6.975 -7.474 743 H ASP 100 H ASP 100 -1.727 7.639 -11.505 744 HA ASP 100 HA ASP 100 -0.690 5.082 -12.599 745 HB2 ASP 100 HB2 ASP 100 -1.962 7.500 -13.983 746 HB3 ASP 100 HB3 ASP 100 -1.253 6.131 -14.838 747 H TYR 101 H TYR 101 1.506 5.061 -12.801 748 HA TYR 101 HA TYR 101 2.968 7.604 -13.276 749 HB2 TYR 101 HB2 TYR 101 4.705 6.937 -11.699 750 HB3 TYR 101 HB3 TYR 101 3.153 6.932 -10.881 751 HD1 TYR 101 HD1 TYR 101 2.104 4.745 -10.193 752 HD2 TYR 101 HD2 TYR 101 5.994 4.869 -11.957 753 HE1 TYR 101 HE1 TYR 101 2.539 2.457 -9.432 754 HE2 TYR 101 HE2 TYR 101 6.416 2.576 -11.188 755 HH TYR 101 HH TYR 101 3.896 0.594 -9.876 756 H THR 102 H THR 102 5.214 7.271 -14.018 757 HA THR 102 HA THR 102 5.598 4.853 -15.697 758 HB THR 102 HB THR 102 6.989 7.564 -15.962 759 HG1 THR 102 HG1 THR 102 4.812 7.719 -16.593 760 HG21 THR 102 HG21 THR 102 7.040 5.128 -17.793 761 HG22 THR 102 HG22 THR 102 8.377 5.682 -16.780 762 HG23 THR 102 HG23 THR 102 7.815 6.676 -18.125 763 H SER 103 H SER 103 6.785 3.413 -14.488 764 HA SER 103 HA SER 103 8.713 3.912 -12.512 765 HB2 SER 103 HB2 SER 103 8.683 1.568 -14.478 766 HB3 SER 103 HB3 SER 103 9.537 1.610 -12.934 767 HG SER 103 HG SER 103 7.387 0.541 -13.050 768 H THR 104 H THR 104 10.295 5.407 -12.912 769 HA THR 104 HA THR 104 11.071 6.302 -15.439 770 HB THR 104 HB THR 104 12.862 7.616 -14.214 771 HG1 THR 104 HG1 THR 104 12.405 7.307 -11.748 772 HG21 THR 104 HG21 THR 104 10.081 7.653 -12.970 773 HG22 THR 104 HG22 THR 104 10.579 8.530 -14.418 774 HG23 THR 104 HG23 THR 104 11.272 8.953 -12.852 775 H THR 105 H THR 105 12.953 4.233 -13.215 776 HA THR 105 HA THR 105 15.265 4.057 -14.924 777 HB THR 105 HB THR 105 15.588 3.794 -12.534 778 HG1 THR 105 HG1 THR 105 17.143 2.642 -13.553 779 HG21 THR 105 HG21 THR 105 13.420 2.779 -11.909 780 HG22 THR 105 HG22 THR 105 14.773 1.848 -11.262 781 HG23 THR 105 HG23 THR 105 13.901 1.267 -12.683 782 H SER 106 H SER 106 12.356 2.106 -14.576 783 HA SER 106 HA SER 106 13.385 -0.174 -16.107 784 HB2 SER 106 HB2 SER 106 10.562 0.317 -15.029 785 HB3 SER 106 HB3 SER 106 11.194 -1.212 -15.646 786 HG SER 106 HG SER 106 11.367 -1.319 -13.465 787 H GLY 107 H GLY 107 11.530 2.707 -16.710 788 HA2 GLY 107 HA2 GLY 107 10.738 3.620 -18.680 789 HA3 GLY 107 HA3 GLY 107 11.109 2.131 -19.528 790 H GLU 108 H GLU 108 9.446 0.713 -17.281 791 HA GLU 108 HA GLU 108 7.066 0.450 -18.846 792 HB2 GLU 108 HB2 GLU 108 8.011 -1.478 -17.647 793 HB3 GLU 108 HB3 GLU 108 7.784 -0.671 -16.098 794 HG2 GLU 108 HG2 GLU 108 5.319 -0.737 -16.444 795 HG3 GLU 108 HG3 GLU 108 5.567 -1.573 -17.975 796 H LYS 109 H LYS 109 5.063 1.323 -18.559 797 HA LYS 109 HA LYS 109 4.557 3.200 -16.347 798 HB2 LYS 109 HB2 LYS 109 3.056 2.733 -18.966 799 HB3 LYS 109 HB3 LYS 109 2.602 3.932 -17.749 800 HG2 LYS 109 HG2 LYS 109 4.783 5.053 -18.052 801 HG3 LYS 109 HG3 LYS 109 5.226 3.862 -19.279 802 HD2 LYS 109 HD2 LYS 109 3.420 4.654 -20.732 803 HD3 LYS 109 HD3 LYS 109 2.879 5.791 -19.489 804 HE2 LYS 109 HE2 LYS 109 5.029 6.989 -19.639 805 HE3 LYS 109 HE3 LYS 109 5.601 5.837 -20.848 806 HZ1 LYS 109 HZ1 LYS 109 3.280 7.654 -21.176 807 HZ2 LYS 109 HZ2 LYS 109 3.883 6.586 -22.341 808 HZ3 LYS 109 HZ3 LYS 109 4.820 7.898 -21.830 809 H VAL 110 H VAL 110 3.114 2.815 -14.804 810 HA VAL 110 HA VAL 110 1.536 0.289 -14.787 811 HB VAL 110 HB VAL 110 2.781 1.753 -12.409 812 HG11 VAL 110 HG11 VAL 110 2.028 -0.159 -11.022 813 HG12 VAL 110 HG12 VAL 110 1.192 -0.845 -12.417 814 HG13 VAL 110 HG13 VAL 110 0.665 0.699 -11.742 815 HG21 VAL 110 HG21 VAL 110 3.587 -0.907 -13.658 816 HG22 VAL 110 HG22 VAL 110 4.267 -0.228 -12.176 817 HG23 VAL 110 HG23 VAL 110 4.510 0.599 -13.717 818 H LYS 111 H LYS 111 -0.641 0.528 -14.533 819 HA LYS 111 HA LYS 111 -1.719 3.226 -13.948 820 HB2 LYS 111 HB2 LYS 111 -2.983 0.967 -15.562 821 HB3 LYS 111 HB3 LYS 111 -3.781 2.491 -15.168 822 HG2 LYS 111 HG2 LYS 111 -1.900 3.670 -16.410 823 HG3 LYS 111 HG3 LYS 111 -1.357 2.079 -16.948 824 HD2 LYS 111 HD2 LYS 111 -2.707 3.114 -18.698 825 HD3 LYS 111 HD3 LYS 111 -3.572 1.722 -18.048 826 HE2 LYS 111 HE2 LYS 111 -5.055 3.164 -16.771 827 HE3 LYS 111 HE3 LYS 111 -4.102 4.591 -17.175 828 HZ1 LYS 111 HZ1 LYS 111 -5.676 2.954 -19.084 829 HZ2 LYS 111 HZ2 LYS 111 -4.731 4.296 -19.485 830 HZ3 LYS 111 HZ3 LYS 111 -6.085 4.488 -18.496 831 H ASN 112 H ASN 112 -3.298 3.497 -12.499 832 HA ASN 112 HA ASN 112 -4.567 3.292 -10.663 833 HB2 ASN 112 HB2 ASN 112 -5.187 0.540 -11.798 834 HB3 ASN 112 HB3 ASN 112 -6.150 1.385 -10.593 835 HD21 ASN 112 HD21 ASN 112 -5.837 4.028 -11.926 836 HD22 ASN 112 HD22 ASN 112 -6.835 3.943 -13.326 837 H HIS 113 H HIS 113 -1.907 2.831 -10.142 838 HA HIS 113 HA HIS 113 -1.392 0.440 -8.688 839 HB2 HIS 113 HB2 HIS 113 0.393 1.834 -9.754 840 HB3 HIS 113 HB3 HIS 113 0.134 3.070 -8.524 841 HD2 HIS 113 HD2 HIS 113 1.117 2.426 -5.949 842 HE1 HIS 113 HE1 HIS 113 3.099 -1.090 -7.209 843 HE2 HIS 113 HE2 HIS 113 2.681 0.481 -5.272 844 H LYS 114 H LYS 114 -1.542 -0.041 -6.590 845 HA LYS 114 HA LYS 114 -2.442 1.896 -4.568 846 HB2 LYS 114 HB2 LYS 114 -3.927 -0.657 -5.346 847 HB3 LYS 114 HB3 LYS 114 -4.268 0.262 -3.884 848 HG2 LYS 114 HG2 LYS 114 -5.050 2.158 -5.179 849 HG3 LYS 114 HG3 LYS 114 -4.548 1.392 -6.692 850 HD2 LYS 114 HD2 LYS 114 -6.230 -0.360 -6.417 851 HD3 LYS 114 HD3 LYS 114 -6.668 0.258 -4.821 852 HE2 LYS 114 HE2 LYS 114 -7.480 2.344 -5.850 853 HE3 LYS 114 HE3 LYS 114 -7.025 1.742 -7.445 854 HZ1 LYS 114 HZ1 LYS 114 -8.654 0.020 -7.256 855 HZ2 LYS 114 HZ2 LYS 114 -9.400 1.504 -6.936 856 HZ3 LYS 114 HZ3 LYS 114 -9.021 0.460 -5.666 857 H TRP 115 H TRP 115 -1.022 -0.275 -2.034 858 HA TRP 115 HA TRP 115 -2.466 2.195 -2.776 859 HB2 TRP 115 HB2 TRP 115 -1.970 0.995 -0.007 860 HB3 TRP 115 HB3 TRP 115 -2.921 2.443 -0.342 861 HD1 TRP 115 HD1 TRP 115 -3.248 -1.294 -0.108 862 HE1 TRP 115 HE1 TRP 115 -5.608 -2.023 -0.784 863 HE3 TRP 115 HE3 TRP 115 -4.961 3.133 -2.032 864 HZ2 TRP 115 HZ2 TRP 115 -7.889 -0.908 -1.977 865 HZ3 TRP 115 HZ3 TRP 115 -7.255 3.211 -2.911 866 HH2 TRP 115 HH2 TRP 115 -8.694 1.235 -2.884 867 H VAL 116 H VAL 116 -1.290 3.976 -3.058 868 HA VAL 116 HA VAL 116 1.263 4.400 -1.602 869 HB VAL 116 HB VAL 116 1.651 6.345 -3.088 870 HG11 VAL 116 HG11 VAL 116 2.077 5.130 -5.201 871 HG12 VAL 116 HG12 VAL 116 1.043 3.806 -4.656 872 HG13 VAL 116 HG13 VAL 116 2.542 4.169 -3.796 873 HG21 VAL 116 HG21 VAL 116 0.195 6.820 -5.039 874 HG22 VAL 116 HG22 VAL 116 -0.684 7.026 -3.523 875 HG23 VAL 116 HG23 VAL 116 -0.942 5.579 -4.499 876 H THR 117 H THR 117 1.553 6.481 -0.473 877 HA THR 117 HA THR 117 -1.004 7.465 0.711 878 HB THR 117 HB THR 117 1.743 7.264 2.047 879 HG1 THR 117 HG1 THR 117 0.953 5.212 1.765 880 HG21 THR 117 HG21 THR 117 0.516 7.619 4.163 881 HG22 THR 117 HG22 THR 117 -0.989 7.838 3.267 882 HG23 THR 117 HG23 THR 117 0.323 9.009 3.088 883 H GLU 118 H GLU 118 -1.070 9.765 1.387 884 HA GLU 118 HA GLU 118 -0.003 11.653 -0.402 885 HB2 GLU 118 HB2 GLU 118 -1.999 12.051 1.048 886 HB3 GLU 118 HB3 GLU 118 -0.943 12.165 2.450 887 HG2 GLU 118 HG2 GLU 118 0.101 14.175 1.551 888 HG3 GLU 118 HG3 GLU 118 -0.817 14.027 0.055 889 H ASP 119 H ASP 119 1.163 10.611 2.762 890 HA ASP 119 HA ASP 119 3.421 12.131 3.229 891 HB2 ASP 119 HB2 ASP 119 2.594 10.481 4.809 892 HB3 ASP 119 HB3 ASP 119 2.885 9.167 3.676 893 H GLU 120 H GLU 120 2.971 9.617 0.845 894 HA GLU 120 HA GLU 120 5.813 9.476 0.084 895 HB2 GLU 120 HB2 GLU 120 3.472 7.701 -0.716 896 HB3 GLU 120 HB3 GLU 120 5.178 7.400 -1.048 897 HG2 GLU 120 HG2 GLU 120 5.588 7.209 1.395 898 HG3 GLU 120 HG3 GLU 120 3.862 7.443 1.684 899 H LEU 121 H LEU 121 3.336 11.406 -0.789 900 HA LEU 121 HA LEU 121 4.109 11.492 -3.659 901 HB2 LEU 121 HB2 LEU 121 1.358 12.059 -2.466 902 HB3 LEU 121 HB3 LEU 121 1.792 12.342 -4.147 903 HG LEU 121 HG LEU 121 1.688 9.615 -2.783 904 HD11 LEU 121 HD11 LEU 121 -0.217 10.825 -4.818 905 HD12 LEU 121 HD12 LEU 121 -0.546 10.570 -3.102 906 HD13 LEU 121 HD13 LEU 121 -0.294 9.186 -4.160 907 HD21 LEU 121 HD21 LEU 121 2.230 10.278 -5.703 908 HD22 LEU 121 HD22 LEU 121 2.023 8.655 -5.034 909 HD23 LEU 121 HD23 LEU 121 3.397 9.640 -4.542 910 H SER 122 H SER 122 4.002 13.622 -4.647 911 HA SER 122 HA SER 122 3.802 16.000 -2.938 912 HB2 SER 122 HB2 SER 122 6.215 15.376 -2.838 913 HB3 SER 122 HB3 SER 122 6.299 15.365 -4.597 914 HG SER 122 HG SER 122 7.025 17.349 -3.960 915 H ALA 123 H ALA 123 3.084 17.815 -4.110 916 HA ALA 123 HA ALA 123 2.023 17.388 -6.766 917 HB1 ALA 123 HB1 ALA 123 2.106 19.937 -5.104 918 HB2 ALA 123 HB2 ALA 123 0.800 18.748 -5.122 919 HB3 ALA 123 HB3 ALA 123 1.155 19.684 -6.574 920 H LYS 124 H LYS 124 2.944 17.918 -8.699 921 HA LYS 124 HA LYS 124 5.666 18.835 -8.846 922 HB2 LYS 124 HB2 LYS 124 4.719 17.161 -10.426 923 HB3 LYS 124 HB3 LYS 124 3.637 18.389 -11.078 924 HG2 LYS 124 HG2 LYS 124 5.635 19.688 -11.840 925 HG3 LYS 124 HG3 LYS 124 6.671 18.382 -11.252 926 HD2 LYS 124 HD2 LYS 124 5.614 16.820 -12.858 927 HD3 LYS 124 HD3 LYS 124 4.551 18.116 -13.425 928 HE2 LYS 124 HE2 LYS 124 7.581 18.035 -13.681 929 HE3 LYS 124 HE3 LYS 124 6.412 17.799 -14.982 930 HZ1 LYS 124 HZ1 LYS 124 5.671 20.080 -14.674 931 HZ2 LYS 124 HZ2 LYS 124 7.325 20.030 -15.002 932 HZ3 LYS 124 HZ3 LYS 124 6.787 20.301 -13.423 933 H LEU 125 H LEU 125 5.736 20.920 -7.986 934 HA LEU 125 HA LEU 125 4.307 23.106 -9.408 935 HB2 LEU 125 HB2 LEU 125 5.489 23.097 -6.599 936 HB3 LEU 125 HB3 LEU 125 4.601 24.426 -7.336 937 HG LEU 125 HG LEU 125 3.433 21.691 -6.659 938 HD11 LEU 125 HD11 LEU 125 2.193 22.826 -4.876 939 HD12 LEU 125 HD12 LEU 125 3.021 24.344 -5.241 940 HD13 LEU 125 HD13 LEU 125 3.933 22.961 -4.630 941 HD21 LEU 125 HD21 LEU 125 2.334 22.686 -8.614 942 HD22 LEU 125 HD22 LEU 125 2.039 24.178 -7.717 943 HD23 LEU 125 HD23 LEU 125 1.250 22.677 -7.225 944 H GLU 126 H GLU 126 7.305 22.715 -7.504 945 HA GLU 126 HA GLU 126 8.731 24.680 -9.157 946 HB2 GLU 126 HB2 GLU 126 10.445 24.586 -7.348 947 HB3 GLU 126 HB3 GLU 126 8.840 24.967 -6.732 948 HG2 GLU 126 HG2 GLU 126 8.601 22.537 -6.067 949 HG3 GLU 126 HG3 GLU 126 10.288 22.303 -6.525 950 H HIS 127 H HIS 127 10.898 24.249 -9.939 951 HA HIS 127 HA HIS 127 11.291 21.605 -11.070 952 HB2 HIS 127 HB2 HIS 127 11.743 23.747 -12.348 953 HB3 HIS 127 HB3 HIS 127 13.103 24.053 -11.276 954 HD1 HIS 127 HD1 HIS 127 12.074 22.092 -14.248 955 HD2 HIS 127 HD2 HIS 127 15.355 22.304 -11.714 956 HE1 HIS 127 HE1 HIS 127 13.905 20.844 -15.418 957 HE2 HIS 127 HE2 HIS 127 15.918 21.129 -13.942 958 H HIS 128 H HIS 128 11.416 20.697 -8.844 959 HA HIS 128 HA HIS 128 14.201 20.159 -8.145 960 HB2 HIS 128 HB2 HIS 128 12.187 21.272 -6.151 961 HB3 HIS 128 HB3 HIS 128 13.541 20.281 -5.621 962 HD1 HIS 128 HD1 HIS 128 12.705 23.696 -5.912 963 HD2 HIS 128 HD2 HIS 128 16.110 21.492 -6.798 964 HE1 HIS 128 HE1 HIS 128 14.573 25.359 -5.987 965 HE2 HIS 128 HE2 HIS 128 16.638 23.992 -6.401 966 H HIS 129 H HIS 129 14.349 18.049 -8.366 967 HA HIS 129 HA HIS 129 12.098 16.217 -7.987 968 HB2 HIS 129 HB2 HIS 129 13.657 16.042 -9.962 969 HB3 HIS 129 HB3 HIS 129 14.976 15.648 -8.868 970 HD1 HIS 129 HD1 HIS 129 15.017 13.241 -7.892 971 HD2 HIS 129 HD2 HIS 129 11.810 13.973 -10.430 972 HE1 HIS 129 HE1 HIS 129 14.071 10.987 -8.444 973 HE2 HIS 129 HE2 HIS 129 12.252 11.448 -10.116 974 H HIS 130 H HIS 130 15.474 16.484 -6.833 975 HA HIS 130 HA HIS 130 14.927 15.919 -4.083 976 HB2 HIS 130 HB2 HIS 130 14.650 13.618 -5.000 977 HB3 HIS 130 HB3 HIS 130 16.254 13.694 -5.713 978 HD1 HIS 130 HD1 HIS 130 18.257 13.299 -4.168 979 HD2 HIS 130 HD2 HIS 130 14.604 13.180 -2.189 980 HE1 HIS 130 HE1 HIS 130 18.760 12.367 -1.908 981 HE2 HIS 130 HE2 HIS 130 16.578 12.458 -0.674 982 H HIS 131 H HIS 131 16.730 16.413 -2.778 983 HA HIS 131 HA HIS 131 18.907 17.896 -3.949 984 HB2 HIS 131 HB2 HIS 131 19.577 18.389 -1.651 985 HB3 HIS 131 HB3 HIS 131 17.838 18.567 -1.799 986 HD1 HIS 131 HD1 HIS 131 19.071 18.291 0.933 987 HD2 HIS 131 HD2 HIS 131 17.707 15.015 -1.231 988 HE1 HIS 131 HE1 HIS 131 18.680 16.482 2.626 989 HE2 HIS 131 HE2 HIS 131 17.998 14.477 1.286 990 H HIS 132 H HIS 132 21.153 17.319 -2.381 991 HA HIS 132 HA HIS 132 22.395 15.110 -3.556 992 HB2 HIS 132 HB2 HIS 132 24.247 15.464 -1.984 993 HB3 HIS 132 HB3 HIS 132 23.654 16.997 -2.592 994 HD1 HIS 132 HD1 HIS 132 24.959 15.757 0.359 995 HD2 HIS 132 HD2 HIS 132 21.522 17.947 -0.461 996 HE1 HIS 132 HE1 HIS 132 24.353 16.895 2.513 997 HE2 HIS 132 HE2 HIS 132 22.204 18.096 2.025 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -4.284 15.569 -2.023 2 H2 MET 1 H2 MET 1 -5.513 14.422 -2.207 3 H3 MET 1 H3 MET 1 -5.880 16.073 -2.233 4 HA MET 1 HA MET 1 -4.665 16.396 -4.258 5 HB2 MET 1 HB2 MET 1 -4.214 13.377 -4.246 6 HB3 MET 1 HB3 MET 1 -3.670 14.510 -5.477 7 HG2 MET 1 HG2 MET 1 -2.670 14.373 -2.620 8 HG3 MET 1 HG3 MET 1 -1.824 13.794 -4.057 9 HE1 MET 1 HE1 MET 1 0.369 15.228 -3.410 10 HE2 MET 1 HE2 MET 1 -0.462 15.751 -1.944 11 HE3 MET 1 HE3 MET 1 0.302 16.942 -2.998 12 H LYS 2 H LYS 2 -5.902 16.400 -6.161 13 HA LYS 2 HA LYS 2 -8.604 15.308 -5.972 14 HB2 LYS 2 HB2 LYS 2 -8.354 17.643 -6.638 15 HB3 LYS 2 HB3 LYS 2 -7.290 17.205 -7.967 16 HG2 LYS 2 HG2 LYS 2 -9.147 16.104 -9.133 17 HG3 LYS 2 HG3 LYS 2 -10.227 16.434 -7.776 18 HD2 LYS 2 HD2 LYS 2 -8.865 18.599 -9.436 19 HD3 LYS 2 HD3 LYS 2 -10.493 17.994 -9.751 20 HE2 LYS 2 HE2 LYS 2 -9.598 19.335 -7.170 21 HE3 LYS 2 HE3 LYS 2 -10.506 20.115 -8.465 22 HZ1 LYS 2 HZ1 LYS 2 -11.932 19.384 -6.652 23 HZ2 LYS 2 HZ2 LYS 2 -11.455 17.779 -6.889 24 HZ3 LYS 2 HZ3 LYS 2 -12.320 18.594 -8.090 25 H VAL 3 H VAL 3 -9.492 13.732 -7.300 26 HA VAL 3 HA VAL 3 -7.920 12.002 -8.908 27 HB VAL 3 HB VAL 3 -10.954 12.372 -8.951 28 HG11 VAL 3 HG11 VAL 3 -10.170 11.139 -10.941 29 HG12 VAL 3 HG12 VAL 3 -11.046 10.062 -9.853 30 HG13 VAL 3 HG13 VAL 3 -9.283 10.012 -9.910 31 HG21 VAL 3 HG21 VAL 3 -10.141 11.839 -6.680 32 HG22 VAL 3 HG22 VAL 3 -9.272 10.435 -7.304 33 HG23 VAL 3 HG23 VAL 3 -11.037 10.474 -7.355 34 H GLY 4 H GLY 4 -7.345 12.130 -11.015 35 HA2 GLY 4 HA2 GLY 4 -7.396 12.861 -13.275 36 HA3 GLY 4 HA3 GLY 4 -8.442 14.196 -12.820 37 H SER 5 H SER 5 -6.293 14.431 -10.451 38 HA SER 5 HA SER 5 -4.618 16.409 -11.834 39 HB2 SER 5 HB2 SER 5 -5.683 17.029 -9.671 40 HB3 SER 5 HB3 SER 5 -4.789 15.749 -8.855 41 HG SER 5 HG SER 5 -3.726 17.735 -8.622 42 H GLN 6 H GLN 6 -2.273 16.494 -11.352 43 HA GLN 6 HA GLN 6 -1.053 13.794 -11.199 44 HB2 GLN 6 HB2 GLN 6 -1.170 14.826 -13.519 45 HB3 GLN 6 HB3 GLN 6 -0.086 16.092 -12.953 46 HG2 GLN 6 HG2 GLN 6 1.706 14.521 -12.637 47 HG3 GLN 6 HG3 GLN 6 0.626 13.148 -12.882 48 HE21 GLN 6 HE21 GLN 6 1.899 12.338 -14.554 49 HE22 GLN 6 HE22 GLN 6 1.968 13.068 -16.114 50 H VAL 7 H VAL 7 0.832 13.576 -10.095 51 HA VAL 7 HA VAL 7 1.987 15.817 -8.565 52 HB VAL 7 HB VAL 7 1.991 14.474 -6.454 53 HG11 VAL 7 HG11 VAL 7 -0.393 14.744 -5.852 54 HG12 VAL 7 HG12 VAL 7 -0.809 14.907 -7.559 55 HG13 VAL 7 HG13 VAL 7 0.198 16.128 -6.778 56 HG21 VAL 7 HG21 VAL 7 0.221 12.493 -7.955 57 HG22 VAL 7 HG22 VAL 7 0.578 12.439 -6.226 58 HG23 VAL 7 HG23 VAL 7 1.871 12.193 -7.401 59 H ILE 8 H ILE 8 4.026 15.109 -7.410 60 HA ILE 8 HA ILE 8 5.591 13.077 -8.878 61 HB ILE 8 HB ILE 8 6.591 15.263 -6.988 62 HG12 ILE 8 HG12 ILE 8 5.603 16.313 -8.986 63 HG13 ILE 8 HG13 ILE 8 7.351 16.497 -9.011 64 HG21 ILE 8 HG21 ILE 8 8.177 13.476 -8.874 65 HG22 ILE 8 HG22 ILE 8 8.161 13.379 -7.113 66 HG23 ILE 8 HG23 ILE 8 8.843 14.798 -7.908 67 HD11 ILE 8 HD11 ILE 8 6.486 16.008 -11.215 68 HD12 ILE 8 HD12 ILE 8 5.754 14.513 -10.635 69 HD13 ILE 8 HD13 ILE 8 7.513 14.686 -10.659 70 H ILE 9 H ILE 9 6.455 11.305 -7.781 71 HA ILE 9 HA ILE 9 5.508 10.435 -5.262 72 HB ILE 9 HB ILE 9 7.964 9.522 -6.832 73 HG12 ILE 9 HG12 ILE 9 5.766 9.273 -8.062 74 HG13 ILE 9 HG13 ILE 9 6.601 7.753 -7.779 75 HG21 ILE 9 HG21 ILE 9 8.142 8.824 -4.481 76 HG22 ILE 9 HG22 ILE 9 7.874 7.435 -5.530 77 HG23 ILE 9 HG23 ILE 9 6.542 8.075 -4.563 78 HD11 ILE 9 HD11 ILE 9 4.199 7.554 -7.464 79 HD12 ILE 9 HD12 ILE 9 4.245 8.778 -6.195 80 HD13 ILE 9 HD13 ILE 9 5.066 7.232 -5.961 81 H ASN 10 H ASN 10 6.216 10.877 -3.205 82 HA ASN 10 HA ASN 10 8.781 12.312 -2.778 83 HB2 ASN 10 HB2 ASN 10 6.609 13.451 -2.093 84 HB3 ASN 10 HB3 ASN 10 6.386 12.184 -0.890 85 HD21 ASN 10 HD21 ASN 10 6.518 13.540 0.879 86 HD22 ASN 10 HD22 ASN 10 7.960 14.371 1.339 87 H THR 11 H THR 11 7.227 9.300 -2.216 88 HA THR 11 HA THR 11 9.591 8.309 -0.743 89 HB THR 11 HB THR 11 6.756 7.734 0.244 90 HG1 THR 11 HG1 THR 11 8.533 9.667 0.918 91 HG21 THR 11 HG21 THR 11 9.410 6.758 1.369 92 HG22 THR 11 HG22 THR 11 8.215 5.755 0.541 93 HG23 THR 11 HG23 THR 11 7.822 6.491 2.096 94 H SER 12 H SER 12 10.135 6.178 -1.250 95 HA SER 12 HA SER 12 8.607 4.954 -3.484 96 HB2 SER 12 HB2 SER 12 10.830 4.087 -4.272 97 HB3 SER 12 HB3 SER 12 10.725 5.845 -4.262 98 HG SER 12 HG SER 12 11.813 4.448 -2.054 99 H HIS 13 H HIS 13 7.592 3.157 -2.874 100 HA HIS 13 HA HIS 13 8.720 1.228 -0.970 101 HB2 HIS 13 HB2 HIS 13 6.190 0.985 -2.671 102 HB3 HIS 13 HB3 HIS 13 6.617 0.001 -1.272 103 HD2 HIS 13 HD2 HIS 13 5.305 3.609 -2.085 104 HE1 HIS 13 HE1 HIS 13 4.861 2.853 2.047 105 HE2 HIS 13 HE2 HIS 13 4.273 4.412 0.153 106 H MET 14 H MET 14 8.124 1.607 -4.410 107 HA MET 14 HA MET 14 9.509 -0.883 -5.142 108 HB2 MET 14 HB2 MET 14 7.294 -0.153 -6.230 109 HB3 MET 14 HB3 MET 14 8.174 1.171 -6.981 110 HG2 MET 14 HG2 MET 14 7.892 -0.643 -8.559 111 HG3 MET 14 HG3 MET 14 9.601 -0.476 -8.157 112 HE1 MET 14 HE1 MET 14 6.304 -2.576 -7.476 113 HE2 MET 14 HE2 MET 14 6.833 -2.170 -5.840 114 HE3 MET 14 HE3 MET 14 6.916 -3.836 -6.403 115 H LYS 15 H LYS 15 11.510 -0.820 -6.318 116 HA LYS 15 HA LYS 15 13.234 1.378 -5.781 117 HB2 LYS 15 HB2 LYS 15 14.891 0.073 -7.317 118 HB3 LYS 15 HB3 LYS 15 14.374 -0.646 -5.807 119 HG2 LYS 15 HG2 LYS 15 14.369 -2.413 -7.359 120 HG3 LYS 15 HG3 LYS 15 12.671 -1.988 -7.144 121 HD2 LYS 15 HD2 LYS 15 12.702 -0.764 -9.295 122 HD3 LYS 15 HD3 LYS 15 14.417 -1.138 -9.494 123 HE2 LYS 15 HE2 LYS 15 13.864 -3.559 -9.557 124 HE3 LYS 15 HE3 LYS 15 12.153 -3.167 -9.384 125 HZ1 LYS 15 HZ1 LYS 15 12.342 -1.905 -11.491 126 HZ2 LYS 15 HZ2 LYS 15 12.614 -3.566 -11.658 127 HZ3 LYS 15 HZ3 LYS 15 13.917 -2.496 -11.663 128 H GLY 16 H GLY 16 11.252 0.726 -8.571 129 HA2 GLY 16 HA2 GLY 16 12.481 2.811 -10.229 130 HA3 GLY 16 HA3 GLY 16 11.092 1.819 -10.636 131 H MET 17 H MET 17 10.516 3.026 -7.582 132 HA MET 17 HA MET 17 8.374 4.703 -8.661 133 HB2 MET 17 HB2 MET 17 7.945 3.035 -6.823 134 HB3 MET 17 HB3 MET 17 8.977 3.974 -5.757 135 HG2 MET 17 HG2 MET 17 7.391 5.912 -6.080 136 HG3 MET 17 HG3 MET 17 6.317 4.808 -6.934 137 HE1 MET 17 HE1 MET 17 5.287 2.304 -4.124 138 HE2 MET 17 HE2 MET 17 6.626 2.087 -5.250 139 HE3 MET 17 HE3 MET 17 5.100 2.772 -5.813 140 H LYS 18 H LYS 18 11.439 5.096 -7.006 141 HA LYS 18 HA LYS 18 11.134 7.628 -5.830 142 HB2 LYS 18 HB2 LYS 18 13.002 6.096 -5.294 143 HB3 LYS 18 HB3 LYS 18 13.653 6.299 -6.917 144 HG2 LYS 18 HG2 LYS 18 13.998 8.736 -6.424 145 HG3 LYS 18 HG3 LYS 18 13.455 8.441 -4.770 146 HD2 LYS 18 HD2 LYS 18 15.365 6.903 -4.417 147 HD3 LYS 18 HD3 LYS 18 15.891 7.163 -6.085 148 HE2 LYS 18 HE2 LYS 18 16.261 9.561 -5.592 149 HE3 LYS 18 HE3 LYS 18 15.729 9.304 -3.927 150 HZ1 LYS 18 HZ1 LYS 18 17.602 7.767 -3.648 151 HZ2 LYS 18 HZ2 LYS 18 18.099 9.333 -4.036 152 HZ3 LYS 18 HZ3 LYS 18 18.127 8.120 -5.216 153 H GLY 19 H GLY 19 10.763 9.567 -6.779 154 HA2 GLY 19 HA2 GLY 19 11.188 11.434 -8.084 155 HA3 GLY 19 HA3 GLY 19 12.386 10.528 -8.988 156 H ALA 20 H ALA 20 9.575 8.726 -9.006 157 HA ALA 20 HA ALA 20 9.044 9.274 -11.782 158 HB1 ALA 20 HB1 ALA 20 7.556 7.479 -9.836 159 HB2 ALA 20 HB2 ALA 20 8.910 7.001 -10.863 160 HB3 ALA 20 HB3 ALA 20 7.378 7.480 -11.594 161 H GLU 21 H GLU 21 7.107 10.065 -12.712 162 HA GLU 21 HA GLU 21 5.666 12.036 -11.081 163 HB2 GLU 21 HB2 GLU 21 6.686 12.708 -13.253 164 HB3 GLU 21 HB3 GLU 21 5.635 11.572 -14.093 165 HG2 GLU 21 HG2 GLU 21 3.664 12.845 -13.434 166 HG3 GLU 21 HG3 GLU 21 4.655 13.937 -12.462 167 H ALA 22 H ALA 22 3.994 11.174 -10.000 168 HA ALA 22 HA ALA 22 2.438 8.914 -10.994 169 HB1 ALA 22 HB1 ALA 22 1.447 8.930 -8.735 170 HB2 ALA 22 HB2 ALA 22 2.302 10.429 -8.362 171 HB3 ALA 22 HB3 ALA 22 3.208 8.947 -8.665 172 H THR 23 H THR 23 0.153 8.942 -11.294 173 HA THR 23 HA THR 23 -1.154 11.611 -11.511 174 HB THR 23 HB THR 23 -1.670 9.194 -13.317 175 HG1 THR 23 HG1 THR 23 0.365 10.127 -13.755 176 HG21 THR 23 HG21 THR 23 -2.677 12.061 -13.508 177 HG22 THR 23 HG22 THR 23 -3.649 10.649 -13.078 178 HG23 THR 23 HG23 THR 23 -2.965 10.789 -14.700 179 H VAL 24 H VAL 24 -2.786 11.800 -10.106 180 HA VAL 24 HA VAL 24 -3.645 9.590 -8.456 181 HB VAL 24 HB VAL 24 -4.728 12.447 -8.506 182 HG11 VAL 24 HG11 VAL 24 -5.485 11.985 -6.186 183 HG12 VAL 24 HG12 VAL 24 -4.933 10.317 -6.337 184 HG13 VAL 24 HG13 VAL 24 -6.255 10.903 -7.349 185 HG21 VAL 24 HG21 VAL 24 -3.180 12.924 -6.638 186 HG22 VAL 24 HG22 VAL 24 -2.296 12.467 -8.094 187 HG23 VAL 24 HG23 VAL 24 -2.492 11.303 -6.781 188 H THR 25 H THR 25 -4.842 8.129 -9.647 189 HA THR 25 HA THR 25 -7.230 9.021 -11.146 190 HB THR 25 HB THR 25 -7.310 6.650 -11.984 191 HG1 THR 25 HG1 THR 25 -4.737 6.041 -11.228 192 HG21 THR 25 HG21 THR 25 -6.139 8.366 -13.319 193 HG22 THR 25 HG22 THR 25 -5.322 6.808 -13.462 194 HG23 THR 25 HG23 THR 25 -4.649 8.065 -12.421 195 H GLY 26 H GLY 26 -6.447 7.994 -8.043 196 HA2 GLY 26 HA2 GLY 26 -9.267 7.666 -7.375 197 HA3 GLY 26 HA3 GLY 26 -8.237 6.282 -7.024 198 H ALA 27 H ALA 27 -9.717 8.430 -5.364 199 HA ALA 27 HA ALA 27 -7.502 8.936 -3.445 200 HB1 ALA 27 HB1 ALA 27 -8.666 10.995 -2.740 201 HB2 ALA 27 HB2 ALA 27 -9.916 10.723 -3.959 202 HB3 ALA 27 HB3 ALA 27 -8.255 11.058 -4.455 203 H TYR 28 H TYR 28 -7.763 7.510 -1.834 204 HA TYR 28 HA TYR 28 -10.477 6.682 -0.955 205 HB2 TYR 28 HB2 TYR 28 -7.836 5.154 -0.827 206 HB3 TYR 28 HB3 TYR 28 -9.358 4.579 -0.158 207 HD1 TYR 28 HD1 TYR 28 -7.862 5.697 -3.443 208 HD2 TYR 28 HD2 TYR 28 -10.717 3.172 -1.497 209 HE1 TYR 28 HE1 TYR 28 -8.393 4.629 -5.594 210 HE2 TYR 28 HE2 TYR 28 -11.238 2.108 -3.649 211 HH TYR 28 HH TYR 28 -9.337 2.502 -6.421 212 H ASP 29 H ASP 29 -11.028 7.664 0.939 213 HA ASP 29 HA ASP 29 -8.936 8.467 2.872 214 HB2 ASP 29 HB2 ASP 29 -10.663 10.155 2.088 215 HB3 ASP 29 HB3 ASP 29 -11.904 9.191 2.886 216 H THR 30 H THR 30 -8.479 6.387 3.642 217 HA THR 30 HA THR 30 -10.493 5.089 5.386 218 HB THR 30 HB THR 30 -10.587 3.835 3.306 219 HG1 THR 30 HG1 THR 30 -9.723 1.753 4.114 220 HG21 THR 30 HG21 THR 30 -8.623 2.711 2.326 221 HG22 THR 30 HG22 THR 30 -7.579 3.483 3.520 222 HG23 THR 30 HG23 THR 30 -8.423 4.467 2.320 223 H THR 31 H THR 31 -9.328 3.225 6.689 224 HA THR 31 HA THR 31 -6.929 4.314 7.959 225 HB THR 31 HB THR 31 -8.427 1.738 8.634 226 HG1 THR 31 HG1 THR 31 -9.577 3.871 8.856 227 HG21 THR 31 HG21 THR 31 -6.415 3.349 10.264 228 HG22 THR 31 HG22 THR 31 -6.118 1.771 9.529 229 HG23 THR 31 HG23 THR 31 -7.295 1.925 10.834 230 H ALA 32 H ALA 32 -4.916 3.685 7.489 231 HA ALA 32 HA ALA 32 -4.377 1.428 5.663 232 HB1 ALA 32 HB1 ALA 32 -2.297 2.616 5.120 233 HB2 ALA 32 HB2 ALA 32 -2.669 3.855 6.325 234 HB3 ALA 32 HB3 ALA 32 -3.688 3.679 4.892 235 H TYR 33 H TYR 33 -2.457 0.108 6.119 236 HA TYR 33 HA TYR 33 -1.610 -0.049 8.945 237 HB2 TYR 33 HB2 TYR 33 -2.717 -2.413 7.356 238 HB3 TYR 33 HB3 TYR 33 -2.009 -2.517 8.962 239 HD1 TYR 33 HD1 TYR 33 -3.200 -1.348 10.897 240 HD2 TYR 33 HD2 TYR 33 -5.052 -1.900 7.085 241 HE1 TYR 33 HE1 TYR 33 -5.402 -0.977 11.910 242 HE2 TYR 33 HE2 TYR 33 -7.255 -1.523 8.108 243 HH TYR 33 HH TYR 33 -7.675 -0.192 11.152 244 H VAL 34 H VAL 34 0.370 -0.844 9.282 245 HA VAL 34 HA VAL 34 2.086 -1.789 7.061 246 HB VAL 34 HB VAL 34 2.913 -1.082 9.933 247 HG11 VAL 34 HG11 VAL 34 4.491 -2.581 8.769 248 HG12 VAL 34 HG12 VAL 34 5.208 -0.990 9.025 249 HG13 VAL 34 HG13 VAL 34 4.605 -1.439 7.426 250 HG21 VAL 34 HG21 VAL 34 2.005 0.937 8.856 251 HG22 VAL 34 HG22 VAL 34 3.089 0.710 7.482 252 HG23 VAL 34 HG23 VAL 34 3.752 1.074 9.078 253 H VAL 35 H VAL 35 2.319 -4.029 6.937 254 HA VAL 35 HA VAL 35 1.722 -5.657 9.371 255 HB VAL 35 HB VAL 35 0.785 -7.447 7.863 256 HG11 VAL 35 HG11 VAL 35 -0.709 -4.795 7.827 257 HG12 VAL 35 HG12 VAL 35 -0.724 -5.986 9.130 258 HG13 VAL 35 HG13 VAL 35 -1.430 -6.387 7.564 259 HG21 VAL 35 HG21 VAL 35 0.058 -6.859 5.563 260 HG22 VAL 35 HG22 VAL 35 1.812 -6.751 5.722 261 HG23 VAL 35 HG23 VAL 35 0.840 -5.279 5.715 262 H SER 36 H SER 36 2.620 -7.811 9.429 263 HA SER 36 HA SER 36 5.035 -8.283 7.775 264 HB2 SER 36 HB2 SER 36 6.139 -9.216 9.834 265 HB3 SER 36 HB3 SER 36 5.764 -7.500 9.998 266 HG SER 36 HG SER 36 4.057 -8.005 11.314 267 H TYR 37 H TYR 37 4.963 -10.283 6.779 268 HA TYR 37 HA TYR 37 3.302 -12.429 7.893 269 HB2 TYR 37 HB2 TYR 37 1.907 -12.647 5.844 270 HB3 TYR 37 HB3 TYR 37 1.637 -11.126 6.675 271 HD1 TYR 37 HD2 TYR 37 2.501 -8.985 5.684 272 HD2 TYR 37 HD1 TYR 37 2.780 -12.678 3.545 273 HE1 TYR 37 HE2 TYR 37 2.840 -7.760 3.600 274 HE2 TYR 37 HE1 TYR 37 3.133 -11.431 1.454 275 HH TYR 37 HH TYR 37 2.637 -9.185 0.551 276 H THR 38 H THR 38 3.629 -14.438 7.012 277 HA THR 38 HA THR 38 5.977 -14.808 5.258 278 HB THR 38 HB THR 38 4.415 -16.883 6.872 279 HG1 THR 38 HG1 THR 38 6.895 -16.803 7.682 280 HG21 THR 38 HG21 THR 38 6.957 -17.228 5.226 281 HG22 THR 38 HG22 THR 38 5.378 -17.916 4.836 282 HG23 THR 38 HG23 THR 38 6.250 -18.454 6.273 283 HA PRO 39 HA PRO 39 2.784 -15.157 1.932 284 HB2 PRO 39 HB2 PRO 39 5.287 -15.872 0.413 285 HB3 PRO 39 HB3 PRO 39 3.994 -14.754 -0.016 286 HG2 PRO 39 HG2 PRO 39 6.342 -13.827 0.838 287 HG3 PRO 39 HG3 PRO 39 4.828 -13.038 1.328 288 HD2 PRO 39 HD2 PRO 39 6.603 -14.886 2.904 289 HD3 PRO 39 HD3 PRO 39 5.691 -13.455 3.442 290 H THR 40 H THR 40 1.831 -16.941 0.934 291 HA THR 40 HA THR 40 2.111 -19.503 2.074 292 HB THR 40 HB THR 40 0.413 -20.244 0.448 293 HG1 THR 40 HG1 THR 40 -0.082 -17.972 -0.874 294 HG21 THR 40 HG21 THR 40 -1.378 -18.621 0.958 295 HG22 THR 40 HG22 THR 40 -0.176 -17.432 1.462 296 HG23 THR 40 HG23 THR 40 -0.387 -18.923 2.387 297 H ASN 41 H ASN 41 3.747 -18.113 -0.690 298 HA ASN 41 HA ASN 41 4.614 -20.550 -1.926 299 HB2 ASN 41 HB2 ASN 41 5.778 -17.734 -1.999 300 HB3 ASN 41 HB3 ASN 41 6.427 -19.067 -2.945 301 HD21 ASN 41 HD21 ASN 41 2.947 -18.643 -2.442 302 HD22 ASN 41 HD22 ASN 41 2.601 -18.186 -4.062 303 H GLY 42 H GLY 42 5.647 -18.850 0.933 304 HA2 GLY 42 HA2 GLY 42 6.735 -19.756 2.756 305 HA3 GLY 42 HA3 GLY 42 7.033 -21.213 1.828 306 H GLY 43 H GLY 43 8.092 -18.108 0.593 307 HA2 GLY 43 HA2 GLY 43 10.874 -18.905 0.606 308 HA3 GLY 43 HA3 GLY 43 10.205 -17.419 -0.037 309 H GLN 44 H GLN 44 10.246 -15.560 1.198 310 HA GLN 44 HA GLN 44 11.375 -15.698 3.949 311 HB2 GLN 44 HB2 GLN 44 12.337 -13.445 3.532 312 HB3 GLN 44 HB3 GLN 44 12.939 -14.633 2.382 313 HG2 GLN 44 HG2 GLN 44 11.263 -13.764 0.713 314 HG3 GLN 44 HG3 GLN 44 10.851 -12.497 1.868 315 HE21 GLN 44 HE21 GLN 44 13.306 -13.696 -0.318 316 HE22 GLN 44 HE22 GLN 44 14.249 -12.253 -0.354 317 H ARG 45 H ARG 45 10.320 -14.598 5.588 318 HA ARG 45 HA ARG 45 7.643 -13.644 5.242 319 HB2 ARG 45 HB2 ARG 45 8.162 -14.564 7.389 320 HB3 ARG 45 HB3 ARG 45 9.598 -13.566 7.580 321 HG2 ARG 45 HG2 ARG 45 8.271 -11.589 7.999 322 HG3 ARG 45 HG3 ARG 45 6.780 -12.420 7.557 323 HD2 ARG 45 HD2 ARG 45 8.513 -13.158 9.947 324 HD3 ARG 45 HD3 ARG 45 7.076 -12.131 10.028 325 HE ARG 45 HE ARG 45 6.295 -14.489 8.795 326 HH11 ARG 45 HH11 ARG 45 7.498 -13.631 11.940 327 HH12 ARG 45 HH12 ARG 45 6.665 -14.939 12.701 328 HH21 ARG 45 HH21 ARG 45 5.295 -16.133 9.790 329 HH22 ARG 45 HH22 ARG 45 5.433 -16.328 11.504 330 H VAL 46 H VAL 46 7.122 -11.776 4.279 331 HA VAL 46 HA VAL 46 8.949 -9.508 4.163 332 HB VAL 46 HB VAL 46 6.122 -9.834 3.051 333 HG11 VAL 46 HG11 VAL 46 8.125 -7.591 2.535 334 HG12 VAL 46 HG12 VAL 46 6.580 -7.450 3.382 335 HG13 VAL 46 HG13 VAL 46 6.607 -7.822 1.659 336 HG21 VAL 46 HG21 VAL 46 7.719 -11.376 1.991 337 HG22 VAL 46 HG22 VAL 46 8.813 -10.036 1.636 338 HG23 VAL 46 HG23 VAL 46 7.233 -10.117 0.853 339 H ASP 47 H ASP 47 8.871 -9.308 6.627 340 HA ASP 47 HA ASP 47 6.876 -7.839 7.831 341 HB2 ASP 47 HB2 ASP 47 8.692 -6.878 9.298 342 HB3 ASP 47 HB3 ASP 47 8.693 -8.637 9.166 343 H HIS 48 H HIS 48 6.731 -5.677 8.414 344 HA HIS 48 HA HIS 48 6.334 -3.463 8.042 345 HB2 HIS 48 HB2 HIS 48 9.139 -3.600 6.862 346 HB3 HIS 48 HB3 HIS 48 8.321 -2.117 7.344 347 HD1 HIS 48 HD1 HIS 48 10.633 -4.534 8.622 348 HD2 HIS 48 HD2 HIS 48 7.550 -2.300 10.258 349 HE1 HIS 48 HE1 HIS 48 11.053 -4.527 11.091 350 HE2 HIS 48 HE2 HIS 48 9.043 -3.375 12.063 351 H HIS 49 H HIS 49 5.431 -5.268 5.891 352 HA HIS 49 HA HIS 49 5.726 -4.076 3.340 353 HB2 HIS 49 HB2 HIS 49 4.925 -6.362 3.511 354 HB3 HIS 49 HB3 HIS 49 3.517 -5.857 4.440 355 HD2 HIS 49 HD2 HIS 49 1.312 -5.226 2.949 356 HE1 HIS 49 HE1 HIS 49 3.217 -5.244 -0.826 357 HE2 HIS 49 HE2 HIS 49 1.049 -4.817 0.403 358 H LYS 50 H LYS 50 4.812 -2.330 2.438 359 HA LYS 50 HA LYS 50 2.483 -1.016 3.701 360 HB2 LYS 50 HB2 LYS 50 5.057 0.252 2.688 361 HB3 LYS 50 HB3 LYS 50 3.599 1.176 3.017 362 HG2 LYS 50 HG2 LYS 50 3.718 0.480 5.402 363 HG3 LYS 50 HG3 LYS 50 5.232 -0.371 5.055 364 HD2 LYS 50 HD2 LYS 50 6.301 1.735 4.390 365 HD3 LYS 50 HD3 LYS 50 4.780 2.609 4.591 366 HE2 LYS 50 HE2 LYS 50 4.837 2.090 7.022 367 HE3 LYS 50 HE3 LYS 50 6.392 1.282 6.797 368 HZ1 LYS 50 HZ1 LYS 50 5.791 4.147 6.323 369 HZ2 LYS 50 HZ2 LYS 50 7.267 3.410 5.952 370 HZ3 LYS 50 HZ3 LYS 50 6.748 3.506 7.559 371 H TRP 51 H TRP 51 1.114 -0.242 0.487 372 HA TRP 51 HA TRP 51 0.855 -0.743 3.406 373 HB2 TRP 51 HB2 TRP 51 -0.577 1.314 1.668 374 HB3 TRP 51 HB3 TRP 51 -1.042 0.950 3.324 375 HD1 TRP 51 HD1 TRP 51 1.805 2.630 1.325 376 HE1 TRP 51 HE1 TRP 51 3.097 4.176 2.915 377 HE3 TRP 51 HE3 TRP 51 -0.492 1.383 5.722 378 HZ2 TRP 51 HZ2 TRP 51 3.131 4.810 5.660 379 HZ3 TRP 51 HZ3 TRP 51 0.218 2.514 7.788 380 HH2 TRP 51 HH2 TRP 51 1.996 4.196 7.757 381 H VAL 52 H VAL 52 -1.191 -1.455 4.147 382 HA VAL 52 HA VAL 52 -3.072 -2.616 2.181 383 HB VAL 52 HB VAL 52 -3.608 -4.464 3.805 384 HG11 VAL 52 HG11 VAL 52 -1.649 -5.884 3.297 385 HG12 VAL 52 HG12 VAL 52 -0.719 -4.454 2.845 386 HG13 VAL 52 HG13 VAL 52 -2.131 -4.926 1.895 387 HG21 VAL 52 HG21 VAL 52 -2.027 -5.014 5.632 388 HG22 VAL 52 HG22 VAL 52 -2.773 -3.436 5.887 389 HG23 VAL 52 HG23 VAL 52 -1.114 -3.540 5.294 390 H ILE 53 H ILE 53 -5.267 -2.355 2.678 391 HA ILE 53 HA ILE 53 -5.808 -0.356 4.825 392 HB ILE 53 HB ILE 53 -7.754 0.395 3.509 393 HG12 ILE 53 HG12 ILE 53 -6.814 -1.576 1.365 394 HG13 ILE 53 HG13 ILE 53 -8.268 -1.758 2.337 395 HG21 ILE 53 HG21 ILE 53 -5.169 0.386 1.893 396 HG22 ILE 53 HG22 ILE 53 -5.582 1.514 3.188 397 HG23 ILE 53 HG23 ILE 53 -6.510 1.520 1.689 398 HD11 ILE 53 HD11 ILE 53 -9.172 0.295 1.303 399 HD12 ILE 53 HD12 ILE 53 -8.822 -0.984 0.140 400 HD13 ILE 53 HD13 ILE 53 -7.724 0.385 0.295 401 H GLN 54 H GLN 54 -8.071 -0.404 5.744 402 HA GLN 54 HA GLN 54 -8.610 -2.604 7.205 403 HB2 GLN 54 HB2 GLN 54 -9.603 -0.308 7.500 404 HB3 GLN 54 HB3 GLN 54 -10.784 -0.696 6.251 405 HG2 GLN 54 HG2 GLN 54 -11.589 -2.591 7.665 406 HG3 GLN 54 HG3 GLN 54 -10.464 -2.091 8.926 407 HE21 GLN 54 HE21 GLN 54 -12.090 -1.698 10.423 408 HE22 GLN 54 HE22 GLN 54 -13.193 -0.381 10.285 409 H GLU 55 H GLU 55 -10.479 -1.907 4.165 410 HA GLU 55 HA GLU 55 -11.908 -4.441 4.413 411 HB2 GLU 55 HB2 GLU 55 -12.090 -2.299 2.265 412 HB3 GLU 55 HB3 GLU 55 -13.160 -3.693 2.406 413 HG2 GLU 55 HG2 GLU 55 -12.898 -1.388 4.366 414 HG3 GLU 55 HG3 GLU 55 -14.258 -1.717 3.294 415 H GLU 56 H GLU 56 -8.902 -3.868 3.386 416 HA GLU 56 HA GLU 56 -8.819 -5.779 1.156 417 HB2 GLU 56 HB2 GLU 56 -7.464 -3.691 1.169 418 HB3 GLU 56 HB3 GLU 56 -6.621 -4.227 2.613 419 HG2 GLU 56 HG2 GLU 56 -5.370 -5.822 1.455 420 HG3 GLU 56 HG3 GLU 56 -6.538 -5.927 0.139 421 H ILE 57 H ILE 57 -8.815 -5.806 4.520 422 HA ILE 57 HA ILE 57 -7.627 -8.525 4.749 423 HB ILE 57 HB ILE 57 -7.842 -6.347 6.890 424 HG12 ILE 57 HG12 ILE 57 -5.361 -7.496 5.518 425 HG13 ILE 57 HG13 ILE 57 -6.048 -5.909 5.203 426 HG21 ILE 57 HG21 ILE 57 -8.150 -8.567 7.895 427 HG22 ILE 57 HG22 ILE 57 -6.592 -7.893 8.368 428 HG23 ILE 57 HG23 ILE 57 -6.665 -9.145 7.127 429 HD11 ILE 57 HD11 ILE 57 -4.819 -6.824 7.804 430 HD12 ILE 57 HD12 ILE 57 -5.492 -5.222 7.488 431 HD13 ILE 57 HD13 ILE 57 -4.070 -5.775 6.601 432 H LYS 58 H LYS 58 -8.937 -10.118 5.763 433 HA LYS 58 HA LYS 58 -11.777 -9.722 5.607 434 HB2 LYS 58 HB2 LYS 58 -11.984 -12.080 6.091 435 HB3 LYS 58 HB3 LYS 58 -10.633 -11.851 5.012 436 HG2 LYS 58 HG2 LYS 58 -9.126 -11.994 7.072 437 HG3 LYS 58 HG3 LYS 58 -10.554 -12.566 7.941 438 HD2 LYS 58 HD2 LYS 58 -9.208 -13.873 5.545 439 HD3 LYS 58 HD3 LYS 58 -9.231 -14.475 7.202 440 HE2 LYS 58 HE2 LYS 58 -11.590 -14.992 7.049 441 HE3 LYS 58 HE3 LYS 58 -11.725 -14.168 5.493 442 HZ1 LYS 58 HZ1 LYS 58 -10.218 -15.805 4.544 443 HZ2 LYS 58 HZ2 LYS 58 -11.605 -16.536 5.187 444 HZ3 LYS 58 HZ3 LYS 58 -10.142 -16.614 6.028 445 H ASP 59 H ASP 59 -9.506 -9.938 8.290 446 HA ASP 59 HA ASP 59 -11.410 -10.341 10.369 447 HB2 ASP 59 HB2 ASP 59 -9.032 -11.077 10.431 448 HB3 ASP 59 HB3 ASP 59 -8.522 -9.395 10.522 449 H ALA 60 H ALA 60 -10.579 -7.520 8.622 450 HA ALA 60 HA ALA 60 -10.573 -5.307 10.006 451 HB1 ALA 60 HB1 ALA 60 -12.580 -5.845 7.805 452 HB2 ALA 60 HB2 ALA 60 -10.884 -5.418 7.584 453 HB3 ALA 60 HB3 ALA 60 -11.996 -4.252 8.301 454 H GLY 61 H GLY 61 -13.877 -6.644 9.336 455 HA2 GLY 61 HA2 GLY 61 -15.731 -6.850 10.657 456 HA3 GLY 61 HA3 GLY 61 -14.649 -6.814 12.031 457 H ASP 62 H ASP 62 -14.804 -4.071 9.891 458 HA ASP 62 HA ASP 62 -15.387 -1.921 10.085 459 HB2 ASP 62 HB2 ASP 62 -17.703 -2.828 10.477 460 HB3 ASP 62 HB3 ASP 62 -17.399 -2.797 12.206 461 H LYS 63 H LYS 63 -13.771 -3.542 12.460 462 HA LYS 63 HA LYS 63 -13.388 -1.228 14.257 463 HB2 LYS 63 HB2 LYS 63 -12.246 -2.873 15.806 464 HB3 LYS 63 HB3 LYS 63 -13.938 -3.175 15.526 465 HG2 LYS 63 HG2 LYS 63 -12.981 -5.315 15.538 466 HG3 LYS 63 HG3 LYS 63 -13.234 -4.949 13.833 467 HD2 LYS 63 HD2 LYS 63 -11.073 -5.988 14.040 468 HD3 LYS 63 HD3 LYS 63 -10.800 -4.286 13.681 469 HE2 LYS 63 HE2 LYS 63 -9.225 -4.901 15.374 470 HE3 LYS 63 HE3 LYS 63 -10.461 -3.930 16.175 471 HZ1 LYS 63 HZ1 LYS 63 -10.266 -6.892 16.200 472 HZ2 LYS 63 HZ2 LYS 63 -11.497 -5.993 16.930 473 HZ3 LYS 63 HZ3 LYS 63 -9.911 -5.849 17.485 474 H THR 64 H THR 64 -11.098 -0.956 15.107 475 HA THR 64 HA THR 64 -9.257 -0.669 12.841 476 HB THR 64 HB THR 64 -8.990 0.372 15.697 477 HG1 THR 64 HG1 THR 64 -9.857 1.706 13.318 478 HG21 THR 64 HG21 THR 64 -7.428 1.123 13.181 479 HG22 THR 64 HG22 THR 64 -6.792 0.213 14.552 480 HG23 THR 64 HG23 THR 64 -7.262 1.899 14.760 481 H LEU 65 H LEU 65 -7.759 -2.211 12.470 482 HA LEU 65 HA LEU 65 -7.092 -4.295 14.339 483 HB2 LEU 65 HB2 LEU 65 -5.715 -3.588 11.720 484 HB3 LEU 65 HB3 LEU 65 -5.643 -5.128 12.560 485 HG LEU 65 HG LEU 65 -8.130 -3.939 11.252 486 HD11 LEU 65 HD11 LEU 65 -7.910 -5.721 9.585 487 HD12 LEU 65 HD12 LEU 65 -6.398 -6.248 10.331 488 HD13 LEU 65 HD13 LEU 65 -6.509 -4.651 9.586 489 HD21 LEU 65 HD21 LEU 65 -7.789 -6.643 12.601 490 HD22 LEU 65 HD22 LEU 65 -9.206 -6.123 11.683 491 HD23 LEU 65 HD23 LEU 65 -8.781 -5.293 13.177 492 H GLN 66 H GLN 66 -5.527 -4.233 15.882 493 HA GLN 66 HA GLN 66 -3.968 -1.731 16.142 494 HB2 GLN 66 HB2 GLN 66 -4.969 -3.689 18.251 495 HB3 GLN 66 HB3 GLN 66 -4.066 -2.213 18.602 496 HG2 GLN 66 HG2 GLN 66 -5.865 -0.845 17.671 497 HG3 GLN 66 HG3 GLN 66 -6.754 -2.289 17.187 498 HE21 GLN 66 HE21 GLN 66 -8.555 -1.632 18.373 499 HE22 GLN 66 HE22 GLN 66 -8.600 -1.689 20.100 500 HA PRO 67 HA PRO 67 0.011 -3.651 15.643 501 HB2 PRO 67 HB2 PRO 67 0.887 -2.024 18.033 502 HB3 PRO 67 HB3 PRO 67 1.638 -2.176 16.435 503 HG2 PRO 67 HG2 PRO 67 0.231 0.001 17.018 504 HG3 PRO 67 HG3 PRO 67 0.061 -0.755 15.418 505 HD2 PRO 67 HD2 PRO 67 -1.799 -0.902 17.792 506 HD3 PRO 67 HD3 PRO 67 -2.183 -0.736 16.063 507 H GLY 68 H GLY 68 0.736 -5.583 16.195 508 HA2 GLY 68 HA2 GLY 68 1.545 -7.278 17.710 509 HA3 GLY 68 HA3 GLY 68 0.445 -6.684 18.942 510 H ASP 69 H ASP 69 -1.667 -6.541 16.653 511 HA ASP 69 HA ASP 69 -2.901 -9.080 17.153 512 HB2 ASP 69 HB2 ASP 69 -4.109 -6.883 16.837 513 HB3 ASP 69 HB3 ASP 69 -3.716 -6.951 15.125 514 H GLN 70 H GLN 70 -3.375 -10.783 15.703 515 HA GLN 70 HA GLN 70 -1.832 -10.901 13.174 516 HB2 GLN 70 HB2 GLN 70 -2.734 -13.183 14.979 517 HB3 GLN 70 HB3 GLN 70 -1.900 -13.386 13.438 518 HG2 GLN 70 HG2 GLN 70 0.072 -12.194 14.359 519 HG3 GLN 70 HG3 GLN 70 -0.762 -12.012 15.903 520 HE21 GLN 70 HE21 GLN 70 0.797 -13.186 17.040 521 HE22 GLN 70 HE22 GLN 70 0.997 -14.887 16.863 522 H VAL 71 H VAL 71 -2.948 -10.948 11.371 523 HA VAL 71 HA VAL 71 -5.827 -11.665 11.242 524 HB VAL 71 HB VAL 71 -6.071 -9.933 9.463 525 HG11 VAL 71 HG11 VAL 71 -4.962 -8.814 12.065 526 HG12 VAL 71 HG12 VAL 71 -6.634 -9.288 11.759 527 HG13 VAL 71 HG13 VAL 71 -5.937 -7.914 10.899 528 HG21 VAL 71 HG21 VAL 71 -3.733 -9.888 8.619 529 HG22 VAL 71 HG22 VAL 71 -3.201 -9.121 10.116 530 HG23 VAL 71 HG23 VAL 71 -4.293 -8.263 9.026 531 H ILE 72 H ILE 72 -6.505 -12.082 8.823 532 HA ILE 72 HA ILE 72 -4.361 -13.402 7.230 533 HB ILE 72 HB ILE 72 -7.318 -14.130 7.388 534 HG12 ILE 72 HG12 ILE 72 -5.958 -15.001 9.283 535 HG13 ILE 72 HG13 ILE 72 -6.595 -16.298 8.281 536 HG21 ILE 72 HG21 ILE 72 -6.632 -14.371 5.062 537 HG22 ILE 72 HG22 ILE 72 -6.852 -15.967 5.775 538 HG23 ILE 72 HG23 ILE 72 -5.222 -15.329 5.535 539 HD11 ILE 72 HD11 ILE 72 -4.388 -16.552 7.229 540 HD12 ILE 72 HD12 ILE 72 -4.329 -16.761 8.978 541 HD13 ILE 72 HD13 ILE 72 -3.761 -15.257 8.256 542 H LEU 73 H LEU 73 -4.175 -12.827 5.105 543 HA LEU 73 HA LEU 73 -5.447 -10.324 4.256 544 HB2 LEU 73 HB2 LEU 73 -3.166 -11.908 3.005 545 HB3 LEU 73 HB3 LEU 73 -3.635 -10.262 2.588 546 HG LEU 73 HG LEU 73 -2.560 -11.090 5.325 547 HD11 LEU 73 HD11 LEU 73 -1.083 -9.726 3.057 548 HD12 LEU 73 HD12 LEU 73 -0.828 -11.379 3.622 549 HD13 LEU 73 HD13 LEU 73 -0.451 -10.023 4.681 550 HD21 LEU 73 HD21 LEU 73 -2.299 -8.668 5.722 551 HD22 LEU 73 HD22 LEU 73 -3.985 -9.090 5.430 552 HD23 LEU 73 HD23 LEU 73 -3.036 -8.322 4.154 553 H GLU 74 H GLU 74 -7.205 -10.358 2.910 554 HA GLU 74 HA GLU 74 -7.774 -12.651 1.157 555 HB2 GLU 74 HB2 GLU 74 -9.354 -10.106 1.700 556 HB3 GLU 74 HB3 GLU 74 -9.883 -11.369 0.589 557 HG2 GLU 74 HG2 GLU 74 -9.444 -11.667 3.570 558 HG3 GLU 74 HG3 GLU 74 -11.000 -11.551 2.755 559 H ALA 75 H ALA 75 -5.938 -9.891 0.835 560 HA ALA 75 HA ALA 75 -6.222 -9.909 -2.127 561 HB1 ALA 75 HB1 ALA 75 -5.526 -7.571 -2.145 562 HB2 ALA 75 HB2 ALA 75 -5.366 -7.572 -0.386 563 HB3 ALA 75 HB3 ALA 75 -6.956 -7.763 -1.130 564 H SER 76 H SER 76 -4.205 -9.175 -3.227 565 HA SER 76 HA SER 76 -1.708 -9.970 -1.873 566 HB2 SER 76 HB2 SER 76 -2.572 -12.022 -2.903 567 HB3 SER 76 HB3 SER 76 -2.761 -11.211 -4.457 568 HG SER 76 HG SER 76 -0.834 -12.454 -4.302 569 H HIS 77 H HIS 77 -0.249 -8.313 -2.216 570 HA HIS 77 HA HIS 77 -0.163 -6.856 -4.737 571 HB2 HIS 77 HB2 HIS 77 1.470 -6.603 -2.160 572 HB3 HIS 77 HB3 HIS 77 1.576 -5.507 -3.534 573 HD2 HIS 77 HD2 HIS 77 -1.464 -6.627 -1.192 574 HE1 HIS 77 HE1 HIS 77 -1.464 -2.432 -1.738 575 HE2 HIS 77 HE2 HIS 77 -2.469 -4.356 -0.448 576 H MET 78 H MET 78 1.202 -9.720 -3.503 577 HA MET 78 HA MET 78 3.467 -9.715 -5.378 578 HB2 MET 78 HB2 MET 78 5.091 -10.406 -3.645 579 HB3 MET 78 HB3 MET 78 4.440 -8.808 -3.311 580 HG2 MET 78 HG2 MET 78 2.987 -9.715 -1.582 581 HG3 MET 78 HG3 MET 78 3.517 -11.357 -1.959 582 HE1 MET 78 HE1 MET 78 6.357 -8.149 -0.204 583 HE2 MET 78 HE2 MET 78 4.674 -7.819 -0.615 584 HE3 MET 78 HE3 MET 78 5.849 -8.142 -1.892 585 H LYS 79 H LYS 79 4.737 -12.038 -4.838 586 HA LYS 79 HA LYS 79 2.880 -13.991 -5.785 587 HB2 LYS 79 HB2 LYS 79 5.789 -14.264 -4.967 588 HB3 LYS 79 HB3 LYS 79 4.861 -15.554 -5.722 589 HG2 LYS 79 HG2 LYS 79 5.246 -12.860 -7.070 590 HG3 LYS 79 HG3 LYS 79 6.432 -14.152 -7.208 591 HD2 LYS 79 HD2 LYS 79 5.104 -14.301 -9.171 592 HD3 LYS 79 HD3 LYS 79 4.559 -15.623 -8.145 593 HE2 LYS 79 HE2 LYS 79 2.675 -14.490 -9.265 594 HE3 LYS 79 HE3 LYS 79 2.565 -14.316 -7.516 595 HZ1 LYS 79 HZ1 LYS 79 3.556 -12.264 -9.418 596 HZ2 LYS 79 HZ2 LYS 79 3.508 -12.086 -7.739 597 HZ3 LYS 79 HZ3 LYS 79 2.069 -12.244 -8.616 598 H GLY 80 H GLY 80 1.329 -14.572 -4.371 599 HA2 GLY 80 HA2 GLY 80 0.467 -16.244 -3.015 600 HA3 GLY 80 HA3 GLY 80 2.075 -16.579 -2.395 601 H MET 81 H MET 81 0.309 -13.473 -2.366 602 HA MET 81 HA MET 81 0.805 -13.220 0.503 603 HB2 MET 81 HB2 MET 81 1.319 -11.335 -0.946 604 HB3 MET 81 HB3 MET 81 -0.320 -11.300 -1.562 605 HG2 MET 81 HG2 MET 81 -1.154 -10.578 0.612 606 HG3 MET 81 HG3 MET 81 0.477 -10.686 1.285 607 HE1 MET 81 HE1 MET 81 -1.442 -8.029 1.375 608 HE2 MET 81 HE2 MET 81 -0.205 -6.801 1.094 609 HE3 MET 81 HE3 MET 81 0.130 -8.169 2.157 610 H LYS 82 H LYS 82 -1.992 -13.749 -1.644 611 HA LYS 82 HA LYS 82 -4.036 -13.462 0.299 612 HB2 LYS 82 HB2 LYS 82 -3.916 -15.005 -2.299 613 HB3 LYS 82 HB3 LYS 82 -5.296 -15.215 -1.227 614 HG2 LYS 82 HG2 LYS 82 -5.566 -12.681 -1.307 615 HG3 LYS 82 HG3 LYS 82 -4.401 -12.695 -2.633 616 HD2 LYS 82 HD2 LYS 82 -6.657 -12.667 -3.556 617 HD3 LYS 82 HD3 LYS 82 -5.923 -14.235 -3.904 618 HE2 LYS 82 HE2 LYS 82 -7.190 -15.272 -2.080 619 HE3 LYS 82 HE3 LYS 82 -7.832 -13.703 -1.589 620 HZ1 LYS 82 HZ1 LYS 82 -8.392 -15.101 -4.145 621 HZ2 LYS 82 HZ2 LYS 82 -8.968 -13.566 -3.729 622 HZ3 LYS 82 HZ3 LYS 82 -9.452 -14.918 -2.840 623 H GLY 83 H GLY 83 -4.629 -14.667 1.987 624 HA2 GLY 83 HA2 GLY 83 -5.222 -16.582 3.146 625 HA3 GLY 83 HA3 GLY 83 -4.248 -17.568 2.069 626 H ALA 84 H ALA 84 -2.306 -15.030 2.868 627 HA ALA 84 HA ALA 84 -0.683 -16.612 4.671 628 HB1 ALA 84 HB1 ALA 84 -0.221 -13.809 3.575 629 HB2 ALA 84 HB2 ALA 84 0.364 -15.315 2.860 630 HB3 ALA 84 HB3 ALA 84 0.966 -14.798 4.435 631 H THR 85 H THR 85 -0.065 -16.071 6.776 632 HA THR 85 HA THR 85 -1.996 -14.556 8.363 633 HB THR 85 HB THR 85 0.463 -16.107 9.304 634 HG1 THR 85 HG1 THR 85 -1.550 -17.180 8.266 635 HG21 THR 85 HG21 THR 85 -0.603 -16.048 11.550 636 HG22 THR 85 HG22 THR 85 -1.893 -15.028 10.912 637 HG23 THR 85 HG23 THR 85 -0.238 -14.419 10.975 638 H ALA 86 H ALA 86 -1.707 -12.437 8.733 639 HA ALA 86 HA ALA 86 0.986 -11.218 8.552 640 HB1 ALA 86 HB1 ALA 86 -0.606 -10.363 6.882 641 HB2 ALA 86 HB2 ALA 86 -0.175 -9.102 8.035 642 HB3 ALA 86 HB3 ALA 86 -1.736 -9.916 8.160 643 H GLU 87 H GLU 87 1.589 -9.705 10.151 644 HA GLU 87 HA GLU 87 -0.071 -9.525 12.593 645 HB2 GLU 87 HB2 GLU 87 1.960 -10.913 12.980 646 HB3 GLU 87 HB3 GLU 87 2.978 -9.595 12.408 647 HG2 GLU 87 HG2 GLU 87 2.132 -8.196 14.322 648 HG3 GLU 87 HG3 GLU 87 1.253 -9.609 14.909 649 H ILE 88 H ILE 88 -0.738 -7.517 12.939 650 HA ILE 88 HA ILE 88 -0.060 -5.271 11.388 651 HB ILE 88 HB ILE 88 -1.344 -5.184 14.162 652 HG12 ILE 88 HG12 ILE 88 -2.574 -6.832 12.780 653 HG13 ILE 88 HG13 ILE 88 -3.556 -5.402 13.067 654 HG21 ILE 88 HG21 ILE 88 -1.593 -3.263 11.807 655 HG22 ILE 88 HG22 ILE 88 -0.716 -2.966 13.310 656 HG23 ILE 88 HG23 ILE 88 -2.472 -3.130 13.335 657 HD11 ILE 88 HD11 ILE 88 -3.045 -4.616 10.792 658 HD12 ILE 88 HD12 ILE 88 -3.823 -6.198 10.804 659 HD13 ILE 88 HD13 ILE 88 -2.088 -6.075 10.516 660 H ASP 89 H ASP 89 2.010 -4.485 11.415 661 HA ASP 89 HA ASP 89 3.671 -4.288 13.765 662 HB2 ASP 89 HB2 ASP 89 4.667 -4.677 11.546 663 HB3 ASP 89 HB3 ASP 89 3.962 -3.185 10.935 664 H SER 90 H SER 90 1.578 -2.162 11.866 665 HA SER 90 HA SER 90 1.335 -0.228 13.987 666 HB2 SER 90 HB2 SER 90 3.467 0.570 12.968 667 HB3 SER 90 HB3 SER 90 2.667 0.725 11.404 668 HG SER 90 HG SER 90 2.868 2.623 13.033 669 H ALA 91 H ALA 91 -0.261 1.416 13.548 670 HA ALA 91 HA ALA 91 -2.005 1.029 11.184 671 HB1 ALA 91 HB1 ALA 91 -4.006 1.184 12.634 672 HB2 ALA 91 HB2 ALA 91 -2.978 1.236 14.069 673 HB3 ALA 91 HB3 ALA 91 -3.021 -0.215 13.065 674 H GLU 92 H GLU 92 -2.773 2.951 10.322 675 HA GLU 92 HA GLU 92 -2.878 5.397 11.922 676 HB2 GLU 92 HB2 GLU 92 -0.536 5.326 10.948 677 HB3 GLU 92 HB3 GLU 92 -1.238 5.375 9.342 678 HG2 GLU 92 HG2 GLU 92 -0.415 7.588 10.110 679 HG3 GLU 92 HG3 GLU 92 -2.138 7.592 9.727 680 H LYS 93 H LYS 93 -4.345 6.933 11.131 681 HA LYS 93 HA LYS 93 -6.192 5.932 9.044 682 HB2 LYS 93 HB2 LYS 93 -6.861 8.351 10.746 683 HB3 LYS 93 HB3 LYS 93 -7.928 7.136 10.065 684 HG2 LYS 93 HG2 LYS 93 -8.072 6.684 12.343 685 HG3 LYS 93 HG3 LYS 93 -6.836 5.529 11.834 686 HD2 LYS 93 HD2 LYS 93 -5.070 7.121 12.606 687 HD3 LYS 93 HD3 LYS 93 -6.328 8.240 13.133 688 HE2 LYS 93 HE2 LYS 93 -7.125 6.539 14.762 689 HE3 LYS 93 HE3 LYS 93 -5.828 5.457 14.245 690 HZ1 LYS 93 HZ1 LYS 93 -5.407 8.152 15.428 691 HZ2 LYS 93 HZ2 LYS 93 -4.209 7.026 15.032 692 HZ3 LYS 93 HZ3 LYS 93 -5.298 6.695 16.280 693 H THR 94 H THR 94 -5.203 6.581 7.142 694 HA THR 94 HA THR 94 -4.749 9.461 6.655 695 HB THR 94 HB THR 94 -2.536 8.684 7.262 696 HG1 THR 94 HG1 THR 94 -2.409 10.079 5.545 697 HG21 THR 94 HG21 THR 94 -2.813 6.257 6.947 698 HG22 THR 94 HG22 THR 94 -1.375 6.833 6.102 699 HG23 THR 94 HG23 THR 94 -2.845 6.471 5.194 700 H THR 95 H THR 95 -4.741 10.056 4.379 701 HA THR 95 HA THR 95 -6.585 8.480 2.809 702 HB THR 95 HB THR 95 -5.139 11.047 1.996 703 HG1 THR 95 HG1 THR 95 -7.603 10.605 3.362 704 HG21 THR 95 HG21 THR 95 -7.010 11.329 0.402 705 HG22 THR 95 HG22 THR 95 -7.701 9.790 0.924 706 HG23 THR 95 HG23 THR 95 -6.151 9.818 0.080 707 H VAL 96 H VAL 96 -6.011 7.007 1.310 708 HA VAL 96 HA VAL 96 -3.214 6.846 0.362 709 HB VAL 96 HB VAL 96 -3.636 4.399 -0.032 710 HG11 VAL 96 HG11 VAL 96 -4.024 5.274 2.858 711 HG12 VAL 96 HG12 VAL 96 -2.480 5.113 2.018 712 HG13 VAL 96 HG13 VAL 96 -3.465 3.684 2.328 713 HG21 VAL 96 HG21 VAL 96 -5.574 3.280 1.046 714 HG22 VAL 96 HG22 VAL 96 -6.099 4.407 -0.204 715 HG23 VAL 96 HG23 VAL 96 -6.236 4.856 1.498 716 H TYR 97 H TYR 97 -2.910 6.836 -1.827 717 HA TYR 97 HA TYR 97 -5.266 7.333 -3.535 718 HB2 TYR 97 HB2 TYR 97 -2.399 8.323 -3.846 719 HB3 TYR 97 HB3 TYR 97 -3.733 8.700 -4.932 720 HD1 TYR 97 HD2 TYR 97 -5.606 10.200 -4.141 721 HD2 TYR 97 HD1 TYR 97 -2.136 9.523 -1.737 722 HE1 TYR 97 HE2 TYR 97 -6.155 12.174 -2.781 723 HE2 TYR 97 HE1 TYR 97 -2.697 11.491 -0.381 724 HH TYR 97 HH TYR 97 -3.943 13.499 -0.459 725 H MET 98 H MET 98 -5.496 6.295 -5.440 726 HA MET 98 HA MET 98 -3.642 4.157 -6.247 727 HB2 MET 98 HB2 MET 98 -6.143 3.801 -6.155 728 HB3 MET 98 HB3 MET 98 -6.337 5.021 -7.404 729 HG2 MET 98 HG2 MET 98 -5.035 3.596 -8.960 730 HG3 MET 98 HG3 MET 98 -4.901 2.372 -7.696 731 HE1 MET 98 HE1 MET 98 -8.881 3.605 -9.709 732 HE2 MET 98 HE2 MET 98 -7.306 4.237 -10.186 733 HE3 MET 98 HE3 MET 98 -7.998 4.680 -8.624 734 H VAL 99 H VAL 99 -1.968 4.784 -7.607 735 HA VAL 99 HA VAL 99 -2.309 7.232 -9.261 736 HB VAL 99 HB VAL 99 0.031 7.886 -8.717 737 HG11 VAL 99 HG11 VAL 99 -1.758 7.600 -6.268 738 HG12 VAL 99 HG12 VAL 99 -1.809 8.908 -7.453 739 HG13 VAL 99 HG13 VAL 99 -0.394 8.715 -6.419 740 HG21 VAL 99 HG21 VAL 99 -0.035 5.603 -6.691 741 HG22 VAL 99 HG22 VAL 99 1.232 6.830 -6.805 742 HG23 VAL 99 HG23 VAL 99 0.986 5.689 -8.128 743 H ASP 100 H ASP 100 -1.218 7.370 -11.198 744 HA ASP 100 HA ASP 100 0.023 4.902 -12.289 745 HB2 ASP 100 HB2 ASP 100 -1.492 7.175 -13.681 746 HB3 ASP 100 HB3 ASP 100 -0.678 5.862 -14.531 747 H TYR 101 H TYR 101 2.218 5.096 -12.455 748 HA TYR 101 HA TYR 101 3.411 7.648 -13.369 749 HB2 TYR 101 HB2 TYR 101 5.338 7.317 -11.834 750 HB3 TYR 101 HB3 TYR 101 3.833 7.585 -10.980 751 HD1 TYR 101 HD2 TYR 101 6.477 5.088 -11.725 752 HD2 TYR 101 HD1 TYR 101 2.881 5.843 -9.536 753 HE1 TYR 101 HE2 TYR 101 6.917 3.118 -10.325 754 HE2 TYR 101 HE1 TYR 101 3.331 3.879 -8.128 755 HH TYR 101 HH TYR 101 4.592 1.745 -8.275 756 H THR 102 H THR 102 5.787 7.278 -14.036 757 HA THR 102 HA THR 102 6.151 4.643 -15.366 758 HB THR 102 HB THR 102 7.296 7.329 -16.276 759 HG1 THR 102 HG1 THR 102 4.975 6.917 -16.626 760 HG21 THR 102 HG21 THR 102 8.800 5.443 -16.847 761 HG22 THR 102 HG22 THR 102 8.041 6.098 -18.299 762 HG23 THR 102 HG23 THR 102 7.450 4.588 -17.602 763 H SER 103 H SER 103 7.718 3.468 -14.468 764 HA SER 103 HA SER 103 9.301 4.301 -12.304 765 HB2 SER 103 HB2 SER 103 10.433 2.074 -12.547 766 HB3 SER 103 HB3 SER 103 8.674 1.966 -12.573 767 HG SER 103 HG SER 103 8.849 1.060 -14.433 768 H THR 104 H THR 104 11.246 5.248 -12.160 769 HA THR 104 HA THR 104 12.382 6.500 -14.467 770 HB THR 104 HB THR 104 14.028 7.475 -12.831 771 HG1 THR 104 HG1 THR 104 13.177 6.839 -10.511 772 HG21 THR 104 HG21 THR 104 12.385 8.746 -11.493 773 HG22 THR 104 HG22 THR 104 11.133 7.563 -11.877 774 HG23 THR 104 HG23 THR 104 11.819 8.571 -13.156 775 H THR 105 H THR 105 13.684 4.023 -12.225 776 HA THR 105 HA THR 105 16.142 3.703 -13.778 777 HB THR 105 HB THR 105 16.147 3.617 -11.268 778 HG1 THR 105 HG1 THR 105 17.137 1.271 -12.581 779 HG21 THR 105 HG21 THR 105 14.879 0.870 -11.616 780 HG22 THR 105 HG22 THR 105 14.096 2.277 -10.893 781 HG23 THR 105 HG23 THR 105 15.494 1.547 -10.104 782 H SER 106 H SER 106 13.103 2.426 -14.235 783 HA SER 106 HA SER 106 14.105 -0.163 -15.322 784 HB2 SER 106 HB2 SER 106 11.306 0.377 -14.240 785 HB3 SER 106 HB3 SER 106 11.940 -1.171 -14.791 786 HG SER 106 HG SER 106 13.626 -0.414 -12.987 787 H GLY 107 H GLY 107 11.541 2.318 -15.726 788 HA2 GLY 107 HA2 GLY 107 11.110 3.444 -17.790 789 HA3 GLY 107 HA3 GLY 107 11.728 2.061 -18.676 790 H GLU 108 H GLU 108 9.877 0.682 -16.402 791 HA GLU 108 HA GLU 108 7.678 0.100 -18.192 792 HB2 GLU 108 HB2 GLU 108 8.550 -1.667 -16.728 793 HB3 GLU 108 HB3 GLU 108 8.173 -0.718 -15.294 794 HG2 GLU 108 HG2 GLU 108 5.741 -0.900 -15.853 795 HG3 GLU 108 HG3 GLU 108 6.159 -1.909 -17.237 796 H LYS 109 H LYS 109 5.707 1.024 -18.254 797 HA LYS 109 HA LYS 109 5.087 3.305 -16.559 798 HB2 LYS 109 HB2 LYS 109 3.491 2.071 -18.857 799 HB3 LYS 109 HB3 LYS 109 3.065 3.556 -18.018 800 HG2 LYS 109 HG2 LYS 109 4.087 4.248 -20.049 801 HG3 LYS 109 HG3 LYS 109 5.302 4.516 -18.796 802 HD2 LYS 109 HD2 LYS 109 6.294 2.241 -19.473 803 HD3 LYS 109 HD3 LYS 109 5.210 2.282 -20.866 804 HE2 LYS 109 HE2 LYS 109 7.273 4.426 -20.247 805 HE3 LYS 109 HE3 LYS 109 7.559 3.065 -21.331 806 HZ1 LYS 109 HZ1 LYS 109 5.883 3.851 -22.800 807 HZ2 LYS 109 HZ2 LYS 109 6.908 5.153 -22.453 808 HZ3 LYS 109 HZ3 LYS 109 5.392 5.051 -21.716 809 H VAL 110 H VAL 110 4.442 2.815 -14.590 810 HA VAL 110 HA VAL 110 3.050 0.312 -13.925 811 HB VAL 110 HB VAL 110 4.179 2.436 -12.048 812 HG11 VAL 110 HG11 VAL 110 4.084 0.686 -10.304 813 HG12 VAL 110 HG12 VAL 110 3.325 -0.425 -11.449 814 HG13 VAL 110 HG13 VAL 110 2.477 1.041 -10.945 815 HG21 VAL 110 HG21 VAL 110 5.490 -0.154 -12.970 816 HG22 VAL 110 HG22 VAL 110 6.133 0.952 -11.754 817 HG23 VAL 110 HG23 VAL 110 5.981 1.481 -13.431 818 H LYS 111 H LYS 111 0.871 0.342 -13.937 819 HA LYS 111 HA LYS 111 -0.550 2.936 -13.715 820 HB2 LYS 111 HB2 LYS 111 -2.286 2.076 -15.131 821 HB3 LYS 111 HB3 LYS 111 -0.753 1.734 -15.913 822 HG2 LYS 111 HG2 LYS 111 -2.331 -0.323 -14.330 823 HG3 LYS 111 HG3 LYS 111 -2.518 -0.081 -16.065 824 HD2 LYS 111 HD2 LYS 111 0.096 -0.868 -14.714 825 HD3 LYS 111 HD3 LYS 111 -1.036 -2.014 -15.438 826 HE2 LYS 111 HE2 LYS 111 0.404 0.215 -16.921 827 HE3 LYS 111 HE3 LYS 111 0.839 -1.493 -16.960 828 HZ1 LYS 111 HZ1 LYS 111 -0.444 -0.878 -18.901 829 HZ2 LYS 111 HZ2 LYS 111 -1.717 -0.328 -17.938 830 HZ3 LYS 111 HZ3 LYS 111 -1.325 -1.973 -17.962 831 H ASN 112 H ASN 112 -2.258 3.233 -12.359 832 HA ASN 112 HA ASN 112 -3.456 3.106 -10.458 833 HB2 ASN 112 HB2 ASN 112 -4.067 0.373 -11.641 834 HB3 ASN 112 HB3 ASN 112 -4.938 1.038 -10.263 835 HD21 ASN 112 HD21 ASN 112 -4.874 3.809 -11.357 836 HD22 ASN 112 HD22 ASN 112 -6.037 3.801 -12.625 837 H HIS 113 H HIS 113 -0.741 2.567 -10.017 838 HA HIS 113 HA HIS 113 -0.265 0.367 -8.303 839 HB2 HIS 113 HB2 HIS 113 1.588 1.641 -9.370 840 HB3 HIS 113 HB3 HIS 113 1.218 3.035 -8.354 841 HD2 HIS 113 HD2 HIS 113 2.084 2.853 -5.694 842 HE1 HIS 113 HE1 HIS 113 3.911 -0.939 -6.117 843 HE2 HIS 113 HE2 HIS 113 3.328 0.916 -4.499 844 H LYS 114 H LYS 114 -0.555 0.070 -6.199 845 HA LYS 114 HA LYS 114 -1.241 2.144 -4.309 846 HB2 LYS 114 HB2 LYS 114 -3.529 1.147 -3.839 847 HB3 LYS 114 HB3 LYS 114 -3.384 2.006 -5.366 848 HG2 LYS 114 HG2 LYS 114 -3.140 -0.206 -6.525 849 HG3 LYS 114 HG3 LYS 114 -3.434 -1.008 -4.975 850 HD2 LYS 114 HD2 LYS 114 -5.665 0.088 -4.847 851 HD3 LYS 114 HD3 LYS 114 -5.362 0.876 -6.399 852 HE2 LYS 114 HE2 LYS 114 -6.794 -1.062 -6.716 853 HE3 LYS 114 HE3 LYS 114 -5.232 -1.353 -7.481 854 HZ1 LYS 114 HZ1 LYS 114 -5.917 -3.300 -6.301 855 HZ2 LYS 114 HZ2 LYS 114 -6.173 -2.431 -4.876 856 HZ3 LYS 114 HZ3 LYS 114 -4.605 -2.633 -5.468 857 H TRP 115 H TRP 115 -0.454 -0.193 -1.719 858 HA TRP 115 HA TRP 115 -1.872 2.292 -2.482 859 HB2 TRP 115 HB2 TRP 115 -1.581 1.039 0.278 860 HB3 TRP 115 HB3 TRP 115 -2.457 2.525 -0.080 861 HD1 TRP 115 HD1 TRP 115 -2.998 -1.146 0.202 862 HE1 TRP 115 HE1 TRP 115 -5.300 -1.801 -0.708 863 HE3 TRP 115 HE3 TRP 115 -4.241 3.249 -2.115 864 HZ2 TRP 115 HZ2 TRP 115 -7.363 -0.640 -2.228 865 HZ3 TRP 115 HZ3 TRP 115 -6.403 3.391 -3.274 866 HH2 TRP 115 HH2 TRP 115 -7.936 1.484 -3.332 867 H VAL 116 H VAL 116 -1.002 4.186 -2.266 868 HA VAL 116 HA VAL 116 1.462 4.661 -0.658 869 HB VAL 116 HB VAL 116 2.048 6.577 -2.196 870 HG11 VAL 116 HG11 VAL 116 3.076 5.248 -3.989 871 HG12 VAL 116 HG12 VAL 116 2.000 3.891 -3.632 872 HG13 VAL 116 HG13 VAL 116 3.207 4.395 -2.447 873 HG21 VAL 116 HG21 VAL 116 -0.092 5.431 -4.042 874 HG22 VAL 116 HG22 VAL 116 1.041 6.719 -4.459 875 HG23 VAL 116 HG23 VAL 116 -0.171 6.983 -3.205 876 H THR 117 H THR 117 1.387 6.549 0.670 877 HA THR 117 HA THR 117 -1.360 7.510 1.163 878 HB THR 117 HB THR 117 -0.663 8.151 3.394 879 HG1 THR 117 HG1 THR 117 1.961 7.204 2.998 880 HG21 THR 117 HG21 THR 117 0.504 5.428 2.717 881 HG22 THR 117 HG22 THR 117 -1.185 5.759 3.110 882 HG23 THR 117 HG23 THR 117 0.065 5.985 4.334 883 H GLU 118 H GLU 118 -1.296 9.810 2.312 884 HA GLU 118 HA GLU 118 -1.026 11.705 0.276 885 HB2 GLU 118 HB2 GLU 118 -2.599 11.853 2.191 886 HB3 GLU 118 HB3 GLU 118 -1.247 12.166 3.277 887 HG2 GLU 118 HG2 GLU 118 -0.765 14.266 2.002 888 HG3 GLU 118 HG3 GLU 118 -2.188 13.954 1.008 889 H ASP 119 H ASP 119 0.963 11.369 3.236 890 HA ASP 119 HA ASP 119 2.791 13.470 2.723 891 HB2 ASP 119 HB2 ASP 119 2.340 12.500 4.968 892 HB3 ASP 119 HB3 ASP 119 3.118 11.000 4.478 893 H GLU 120 H GLU 120 2.610 10.288 1.404 894 HA GLU 120 HA GLU 120 5.451 10.072 0.691 895 HB2 GLU 120 HB2 GLU 120 3.113 8.179 0.185 896 HB3 GLU 120 HB3 GLU 120 4.803 7.841 -0.201 897 HG2 GLU 120 HG2 GLU 120 5.358 8.041 2.226 898 HG3 GLU 120 HG3 GLU 120 3.644 8.264 2.575 899 H LEU 121 H LEU 121 2.897 11.721 -0.534 900 HA LEU 121 HA LEU 121 4.025 11.749 -3.277 901 HB2 LEU 121 HB2 LEU 121 1.155 12.356 -2.422 902 HB3 LEU 121 HB3 LEU 121 1.787 12.544 -4.053 903 HG LEU 121 HG LEU 121 1.476 9.896 -2.568 904 HD11 LEU 121 HD11 LEU 121 -0.110 11.008 -4.908 905 HD12 LEU 121 HD12 LEU 121 -0.681 10.848 -3.245 906 HD13 LEU 121 HD13 LEU 121 -0.303 9.406 -4.184 907 HD21 LEU 121 HD21 LEU 121 2.406 10.407 -5.418 908 HD22 LEU 121 HD22 LEU 121 2.086 8.822 -4.704 909 HD23 LEU 121 HD23 LEU 121 3.402 9.816 -4.085 910 H SER 122 H SER 122 3.723 13.960 -4.301 911 HA SER 122 HA SER 122 3.579 16.267 -2.506 912 HB2 SER 122 HB2 SER 122 5.965 15.617 -2.337 913 HB3 SER 122 HB3 SER 122 6.115 15.621 -4.093 914 HG SER 122 HG SER 122 6.876 17.568 -3.403 915 H ALA 123 H ALA 123 2.631 17.964 -3.566 916 HA ALA 123 HA ALA 123 1.775 17.704 -6.289 917 HB1 ALA 123 HB1 ALA 123 1.609 20.116 -4.448 918 HB2 ALA 123 HB2 ALA 123 0.400 18.840 -4.594 919 HB3 ALA 123 HB3 ALA 123 0.724 19.904 -5.965 920 H LYS 124 H LYS 124 2.438 18.821 -8.134 921 HA LYS 124 HA LYS 124 5.170 19.810 -8.197 922 HB2 LYS 124 HB2 LYS 124 4.369 18.297 -9.970 923 HB3 LYS 124 HB3 LYS 124 3.111 19.441 -10.419 924 HG2 LYS 124 HG2 LYS 124 4.956 19.521 -12.019 925 HG3 LYS 124 HG3 LYS 124 4.825 21.056 -11.156 926 HD2 LYS 124 HD2 LYS 124 6.712 20.360 -9.675 927 HD3 LYS 124 HD3 LYS 124 6.852 18.847 -10.578 928 HE2 LYS 124 HE2 LYS 124 7.448 20.104 -12.612 929 HE3 LYS 124 HE3 LYS 124 7.231 21.630 -11.753 930 HZ1 LYS 124 HZ1 LYS 124 9.558 20.988 -11.926 931 HZ2 LYS 124 HZ2 LYS 124 9.249 19.562 -11.071 932 HZ3 LYS 124 HZ3 LYS 124 9.062 21.058 -10.310 933 H LEU 125 H LEU 125 5.616 21.889 -7.718 934 HA LEU 125 HA LEU 125 3.659 24.019 -7.787 935 HB2 LEU 125 HB2 LEU 125 6.640 24.033 -7.153 936 HB3 LEU 125 HB3 LEU 125 5.643 25.477 -7.108 937 HG LEU 125 HG LEU 125 4.246 24.369 -5.297 938 HD11 LEU 125 HD11 LEU 125 5.193 22.492 -4.032 939 HD12 LEU 125 HD12 LEU 125 6.478 22.320 -5.229 940 HD13 LEU 125 HD13 LEU 125 4.799 22.018 -5.684 941 HD21 LEU 125 HD21 LEU 125 5.943 26.055 -4.749 942 HD22 LEU 125 HD22 LEU 125 7.181 24.800 -4.651 943 HD23 LEU 125 HD23 LEU 125 5.851 24.822 -3.491 944 H GLU 126 H GLU 126 3.537 25.755 -9.206 945 HA GLU 126 HA GLU 126 4.742 25.326 -11.874 946 HB2 GLU 126 HB2 GLU 126 2.860 26.490 -12.785 947 HB3 GLU 126 HB3 GLU 126 2.211 25.442 -11.534 948 HG2 GLU 126 HG2 GLU 126 2.666 28.444 -11.288 949 HG3 GLU 126 HG3 GLU 126 1.112 27.657 -11.568 950 H HIS 127 H HIS 127 6.124 26.753 -9.561 951 HA HIS 127 HA HIS 127 6.070 29.557 -9.838 952 HB2 HIS 127 HB2 HIS 127 8.223 27.741 -8.683 953 HB3 HIS 127 HB3 HIS 127 8.209 29.493 -8.501 954 HD1 HIS 127 HD1 HIS 127 4.810 28.149 -8.208 955 HD2 HIS 127 HD2 HIS 127 8.056 28.713 -5.663 956 HE1 HIS 127 HE1 HIS 127 3.873 28.031 -5.892 957 HE2 HIS 127 HE2 HIS 127 5.822 28.480 -4.378 958 H HIS 128 H HIS 128 7.423 31.057 -10.847 959 HA HIS 128 HA HIS 128 8.425 30.298 -13.445 960 HB2 HIS 128 HB2 HIS 128 8.705 33.024 -12.101 961 HB3 HIS 128 HB3 HIS 128 8.762 32.676 -13.826 962 HD1 HIS 128 HD1 HIS 128 6.372 32.983 -10.949 963 HD2 HIS 128 HD2 HIS 128 6.252 32.587 -15.081 964 HE1 HIS 128 HE1 HIS 128 3.979 33.366 -11.585 965 HE2 HIS 128 HE2 HIS 128 3.899 32.932 -14.063 966 H HIS 129 H HIS 129 10.498 29.931 -14.073 967 HA HIS 129 HA HIS 129 12.667 30.211 -12.075 968 HB2 HIS 129 HB2 HIS 129 13.819 28.386 -13.474 969 HB3 HIS 129 HB3 HIS 129 12.445 27.912 -12.486 970 HD1 HIS 129 HD1 HIS 129 13.365 28.538 -16.110 971 HD2 HIS 129 HD2 HIS 129 10.377 26.716 -13.867 972 HE1 HIS 129 HE1 HIS 129 11.987 27.239 -17.756 973 HE2 HIS 129 HE2 HIS 129 10.246 26.067 -16.367 974 H HIS 130 H HIS 130 12.735 32.483 -12.798 975 HA HIS 130 HA HIS 130 14.898 32.775 -14.799 976 HB2 HIS 130 HB2 HIS 130 12.546 34.706 -14.530 977 HB3 HIS 130 HB3 HIS 130 13.944 34.934 -15.573 978 HD1 HIS 130 HD1 HIS 130 14.216 32.907 -17.449 979 HD2 HIS 130 HD2 HIS 130 10.436 33.533 -15.823 980 HE1 HIS 130 HE1 HIS 130 12.615 31.771 -19.012 981 HE2 HIS 130 HE2 HIS 130 10.337 32.207 -18.047 982 H HIS 131 H HIS 131 16.221 32.649 -12.839 983 HA HIS 131 HA HIS 131 16.285 35.138 -11.212 984 HB2 HIS 131 HB2 HIS 131 16.720 32.341 -10.075 985 HB3 HIS 131 HB3 HIS 131 16.658 33.853 -9.171 986 HD1 HIS 131 HD1 HIS 131 14.169 35.118 -9.465 987 HD2 HIS 131 HD2 HIS 131 14.348 31.002 -10.023 988 HE1 HIS 131 HE1 HIS 131 11.807 34.308 -9.254 989 HE2 HIS 131 HE2 HIS 131 11.922 31.843 -9.724 990 H HIS 132 H HIS 132 18.349 35.624 -10.214 991 HA HIS 132 HA HIS 132 20.585 35.114 -11.942 992 HB2 HIS 132 HB2 HIS 132 21.865 36.570 -10.249 993 HB3 HIS 132 HB3 HIS 132 20.536 37.315 -11.112 994 HD1 HIS 132 HD1 HIS 132 18.536 38.152 -9.739 995 HD2 HIS 132 HD2 HIS 132 21.453 36.286 -7.439 996 HE1 HIS 132 HE1 HIS 132 17.997 38.738 -7.362 997 HE2 HIS 132 HE2 HIS 132 19.681 37.485 -5.984
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