NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
579893 | 2mo1 | 19916 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.391 -0.030 -2.062 3 HB2 MET 1 HB2 MET 1 3.661 1.145 -2.137 4 HB3 MET 1 HB3 MET 1 2.282 2.098 -1.605 5 HG2 MET 1 HG2 MET 1 2.949 1.735 0.727 6 HG3 MET 1 HG3 MET 1 4.351 0.824 0.170 7 HE1 MET 1 HE1 MET 1 5.758 4.066 1.668 8 HE2 MET 1 HE2 MET 1 5.130 2.453 2.002 9 HE3 MET 1 HE3 MET 1 6.581 2.648 1.018 10 H LYS 2 H LYS 2 1.884 -1.987 -2.800 11 HA LYS 2 HA LYS 2 4.257 -3.342 -1.695 12 HB2 LYS 2 HB2 LYS 2 1.893 -4.699 -2.993 13 HB3 LYS 2 HB3 LYS 2 3.217 -5.460 -2.119 14 HG2 LYS 2 HG2 LYS 2 1.071 -3.699 -0.955 15 HG3 LYS 2 HG3 LYS 2 1.240 -5.444 -0.750 16 HD2 LYS 2 HD2 LYS 2 3.537 -4.921 0.246 17 HD3 LYS 2 HD3 LYS 2 2.982 -3.249 0.338 18 HE2 LYS 2 HE2 LYS 2 1.439 -5.546 1.519 19 HE3 LYS 2 HE3 LYS 2 2.673 -4.665 2.420 20 HZ1 LYS 2 HZ1 LYS 2 1.424 -2.713 2.357 21 HZ2 LYS 2 HZ2 LYS 2 0.278 -3.914 2.680 22 HZ3 LYS 2 HZ3 LYS 2 0.413 -3.271 1.121 23 H LYS 3 H LYS 3 5.641 -4.411 -3.130 24 HA LYS 3 HA LYS 3 5.276 -3.695 -5.966 25 HB2 LYS 3 HB2 LYS 3 7.935 -4.031 -4.580 26 HB3 LYS 3 HB3 LYS 3 7.635 -3.376 -6.185 27 HG2 LYS 3 HG2 LYS 3 6.639 -1.408 -5.274 28 HG3 LYS 3 HG3 LYS 3 6.668 -2.086 -3.645 29 HD2 LYS 3 HD2 LYS 3 9.209 -1.767 -5.194 30 HD3 LYS 3 HD3 LYS 3 8.499 -0.387 -4.353 31 HE2 LYS 3 HE2 LYS 3 9.126 -3.028 -3.042 32 HE3 LYS 3 HE3 LYS 3 10.215 -1.642 -3.036 33 HZ1 LYS 3 HZ1 LYS 3 9.090 -0.738 -1.373 34 HZ2 LYS 3 HZ2 LYS 3 8.191 -2.165 -1.245 35 HZ3 LYS 3 HZ3 LYS 3 7.615 -0.886 -2.189 36 H GLY 4 H GLY 4 5.425 -5.290 -7.439 37 HA2 GLY 4 HA2 GLY 4 6.874 -7.718 -6.943 38 HA3 GLY 4 HA3 GLY 4 5.134 -7.942 -6.843 39 H THR 5 H THR 5 6.409 -9.381 -8.695 40 HA THR 5 HA THR 5 6.566 -8.042 -11.229 41 HB THR 5 HB THR 5 6.531 -10.575 -12.010 42 HG1 THR 5 HG1 THR 5 6.007 -11.515 -10.048 43 HG21 THR 5 HG21 THR 5 8.647 -8.876 -10.835 44 HG22 THR 5 HG22 THR 5 8.545 -9.619 -12.432 45 HG23 THR 5 HG23 THR 5 9.040 -10.582 -11.040 46 H VAL 6 H VAL 6 5.244 -8.544 -13.083 47 HA VAL 6 HA VAL 6 2.436 -8.936 -12.332 48 HB VAL 6 HB VAL 6 3.094 -6.869 -13.586 49 HG11 VAL 6 HG11 VAL 6 4.093 -6.901 -15.602 50 HG12 VAL 6 HG12 VAL 6 4.610 -8.515 -15.112 51 HG13 VAL 6 HG13 VAL 6 3.191 -8.317 -16.142 52 HG21 VAL 6 HG21 VAL 6 0.966 -8.754 -14.259 53 HG22 VAL 6 HG22 VAL 6 0.883 -7.026 -13.917 54 HG23 VAL 6 HG23 VAL 6 1.307 -7.585 -15.535 55 H LYS 7 H LYS 7 1.303 -10.662 -12.966 56 HA LYS 7 HA LYS 7 2.656 -12.791 -14.362 57 HB2 LYS 7 HB2 LYS 7 0.661 -12.681 -12.450 58 HB3 LYS 7 HB3 LYS 7 -0.207 -13.154 -13.905 59 HG2 LYS 7 HG2 LYS 7 0.650 -15.212 -13.881 60 HG3 LYS 7 HG3 LYS 7 2.276 -14.629 -13.516 61 HD2 LYS 7 HD2 LYS 7 1.524 -15.999 -11.692 62 HD3 LYS 7 HD3 LYS 7 1.569 -14.319 -11.151 63 HE2 LYS 7 HE2 LYS 7 -0.494 -14.813 -10.375 64 HE3 LYS 7 HE3 LYS 7 -0.965 -14.447 -12.034 65 HZ1 LYS 7 HZ1 LYS 7 -0.160 -17.146 -11.833 66 HZ2 LYS 7 HZ2 LYS 7 -1.660 -16.518 -12.297 67 HZ3 LYS 7 HZ3 LYS 7 -1.340 -16.824 -10.665 68 H TRP 8 H TRP 8 0.110 -10.471 -15.035 69 HA TRP 8 HA TRP 8 0.456 -10.693 -17.836 70 HB2 TRP 8 HB2 TRP 8 -1.563 -11.744 -18.518 71 HB3 TRP 8 HB3 TRP 8 -0.855 -12.801 -17.301 72 HD1 TRP 8 HD1 TRP 8 -3.608 -10.083 -17.552 73 HE1 TRP 8 HE1 TRP 8 -5.445 -10.656 -15.842 74 HE3 TRP 8 HE3 TRP 8 -1.421 -14.140 -15.340 75 HZ2 TRP 8 HZ2 TRP 8 -5.905 -12.574 -13.823 76 HZ3 TRP 8 HZ3 TRP 8 -2.625 -15.286 -13.526 77 HH2 TRP 8 HH2 TRP 8 -4.821 -14.518 -12.785 78 H PHE 9 H PHE 9 -0.488 -8.998 -18.924 79 HA PHE 9 HA PHE 9 -2.363 -7.294 -17.454 80 HB2 PHE 9 HB2 PHE 9 -0.115 -6.383 -17.041 81 HB3 PHE 9 HB3 PHE 9 0.165 -6.288 -18.777 82 HD1 PHE 9 HD1 PHE 9 -1.155 -4.695 -20.149 83 HD2 PHE 9 HD2 PHE 9 -1.329 -4.713 -15.896 84 HE1 PHE 9 HE1 PHE 9 -2.125 -2.434 -20.182 85 HE2 PHE 9 HE2 PHE 9 -2.300 -2.452 -15.923 86 HZ PHE 9 HZ PHE 9 -2.699 -1.310 -18.068 87 H ASN 10 H ASN 10 -4.095 -7.366 -18.742 88 HA ASN 10 HA ASN 10 -3.836 -7.511 -21.616 89 HB2 ASN 10 HB2 ASN 10 -5.911 -8.010 -19.651 90 HB3 ASN 10 HB3 ASN 10 -6.525 -7.051 -20.994 91 HD21 ASN 10 HD21 ASN 10 -7.304 -8.173 -22.613 92 HD22 ASN 10 HD22 ASN 10 -6.840 -9.775 -23.064 93 H ALA 11 H ALA 11 -3.144 -5.655 -22.523 94 HA ALA 11 HA ALA 11 -3.994 -3.072 -21.604 95 HB1 ALA 11 HB1 ALA 11 -2.648 -2.191 -23.417 96 HB2 ALA 11 HB2 ALA 11 -1.758 -3.447 -22.557 97 HB3 ALA 11 HB3 ALA 11 -2.497 -3.802 -24.118 98 H GLU 12 H GLU 12 -5.112 -5.370 -23.921 99 HA GLU 12 HA GLU 12 -6.555 -3.551 -25.579 100 HB2 GLU 12 HB2 GLU 12 -6.731 -6.537 -25.188 101 HB3 GLU 12 HB3 GLU 12 -7.742 -5.663 -26.330 102 HG2 GLU 12 HG2 GLU 12 -5.467 -4.763 -27.225 103 HG3 GLU 12 HG3 GLU 12 -4.809 -6.179 -26.406 104 H LYS 13 H LYS 13 -7.180 -5.129 -22.565 105 HA LYS 13 HA LYS 13 -10.005 -4.324 -22.673 106 HB2 LYS 13 HB2 LYS 13 -8.540 -6.304 -20.931 107 HB3 LYS 13 HB3 LYS 13 -10.189 -5.787 -20.604 108 HG2 LYS 13 HG2 LYS 13 -10.151 -6.545 -23.298 109 HG3 LYS 13 HG3 LYS 13 -9.232 -7.778 -22.431 110 HD2 LYS 13 HD2 LYS 13 -11.044 -8.513 -21.284 111 HD3 LYS 13 HD3 LYS 13 -11.762 -6.904 -21.177 112 HE2 LYS 13 HE2 LYS 13 -12.620 -7.038 -23.376 113 HE3 LYS 13 HE3 LYS 13 -11.640 -8.454 -23.751 114 HZ1 LYS 13 HZ1 LYS 13 -13.099 -9.830 -22.774 115 HZ2 LYS 13 HZ2 LYS 13 -14.201 -8.571 -23.025 116 HZ3 LYS 13 HZ3 LYS 13 -13.460 -8.757 -21.516 117 H GLY 14 H GLY 14 -7.062 -4.080 -20.727 118 HA2 GLY 14 HA2 GLY 14 -6.487 -2.032 -19.626 119 HA3 GLY 14 HA3 GLY 14 -8.201 -1.674 -19.474 120 H TYR 15 H TYR 15 -6.464 -4.656 -18.664 121 HA TYR 15 HA TYR 15 -6.793 -4.133 -15.821 122 HB2 TYR 15 HB2 TYR 15 -8.098 -6.068 -15.351 123 HB3 TYR 15 HB3 TYR 15 -8.918 -5.224 -16.660 124 HD1 TYR 15 HD2 TYR 15 -6.869 -8.161 -15.800 125 HD2 TYR 15 HD1 TYR 15 -9.143 -6.220 -18.828 126 HE1 TYR 15 HE2 TYR 15 -6.824 -10.220 -17.146 127 HE2 TYR 15 HE1 TYR 15 -9.105 -8.273 -20.181 128 HH TYR 15 HH TYR 15 -8.608 -10.466 -20.187 129 H GLY 16 H GLY 16 -5.815 -5.933 -14.498 130 HA2 GLY 16 HA2 GLY 16 -4.048 -7.799 -15.712 131 HA3 GLY 16 HA3 GLY 16 -3.169 -6.362 -15.211 132 H PHE 17 H PHE 17 -2.330 -8.557 -14.053 133 HA PHE 17 HA PHE 17 -3.358 -8.332 -11.316 134 HB2 PHE 17 HB2 PHE 17 -3.038 -10.842 -12.928 135 HB3 PHE 17 HB3 PHE 17 -2.848 -10.889 -11.178 136 HD1 PHE 17 HD1 PHE 17 -5.219 -9.693 -13.791 137 HD2 PHE 17 HD2 PHE 17 -4.703 -11.243 -9.860 138 HE1 PHE 17 HE1 PHE 17 -7.661 -9.852 -13.537 139 HE2 PHE 17 HE2 PHE 17 -7.144 -11.405 -9.600 140 HZ PHE 17 HZ PHE 17 -8.627 -10.710 -11.440 141 H ILE 18 H ILE 18 -1.815 -8.230 -9.784 142 HA ILE 18 HA ILE 18 0.964 -8.745 -10.623 143 HB ILE 18 HB ILE 18 0.033 -6.659 -8.647 144 HG12 ILE 18 HG12 ILE 18 1.360 -6.019 -11.250 145 HG13 ILE 18 HG13 ILE 18 -0.360 -6.393 -11.245 146 HG21 ILE 18 HG21 ILE 18 2.757 -7.378 -9.709 147 HG22 ILE 18 HG22 ILE 18 2.407 -5.884 -8.843 148 HG23 ILE 18 HG23 ILE 18 2.200 -7.439 -8.037 149 HD11 ILE 18 HD11 ILE 18 1.078 -4.044 -10.178 150 HD12 ILE 18 HD12 ILE 18 -0.488 -4.154 -10.983 151 HD13 ILE 18 HD13 ILE 18 -0.337 -4.602 -9.285 152 H GLN 19 H GLN 19 2.373 -9.657 -9.113 153 HA GLN 19 HA GLN 19 1.098 -10.750 -6.694 154 HB2 GLN 19 HB2 GLN 19 3.158 -12.153 -8.401 155 HB3 GLN 19 HB3 GLN 19 2.355 -12.805 -6.979 156 HG2 GLN 19 HG2 GLN 19 1.282 -13.783 -8.816 157 HG3 GLN 19 HG3 GLN 19 0.184 -12.530 -8.240 158 HE21 GLN 19 HE21 GLN 19 -0.774 -11.545 -9.855 159 HE22 GLN 19 HE22 GLN 19 -0.057 -11.123 -11.369 160 H GLN 20 H GLN 20 2.069 -10.186 -4.868 161 HA GLN 20 HA GLN 20 4.775 -9.070 -5.001 162 HB2 GLN 20 HB2 GLN 20 4.236 -8.193 -2.711 163 HB3 GLN 20 HB3 GLN 20 3.214 -7.568 -3.998 164 HG2 GLN 20 HG2 GLN 20 1.419 -9.019 -3.359 165 HG3 GLN 20 HG3 GLN 20 2.443 -9.835 -2.178 166 HE21 GLN 20 HE21 GLN 20 3.670 -7.800 -0.909 167 HE22 GLN 20 HE22 GLN 20 2.515 -6.807 -0.094 168 H GLU 21 H GLU 21 5.707 -9.354 -2.499 169 HA GLU 21 HA GLU 21 6.721 -11.963 -2.457 170 HB2 GLU 21 HB2 GLU 21 6.612 -9.935 -0.218 171 HB3 GLU 21 HB3 GLU 21 7.618 -11.377 -0.230 172 HG2 GLU 21 HG2 GLU 21 8.682 -10.474 -2.327 173 HG3 GLU 21 HG3 GLU 21 7.831 -8.964 -2.004 174 H GLU 22 H GLU 22 3.834 -10.619 -1.114 175 HA GLU 22 HA GLU 22 3.262 -12.297 0.993 176 HB2 GLU 22 HB2 GLU 22 1.446 -11.075 -1.081 177 HB3 GLU 22 HB3 GLU 22 0.832 -11.975 0.299 178 HG2 GLU 22 HG2 GLU 22 1.852 -10.395 1.822 179 HG3 GLU 22 HG3 GLU 22 2.561 -9.518 0.468 180 H GLY 23 H GLY 23 1.701 -12.798 -2.165 181 HA2 GLY 23 HA2 GLY 23 2.586 -15.319 -2.787 182 HA3 GLY 23 HA3 GLY 23 1.299 -15.581 -1.620 183 HA PRO 24 HA PRO 24 -1.820 -15.116 -4.662 184 HB2 PRO 24 HB2 PRO 24 -3.598 -13.358 -3.605 185 HB3 PRO 24 HB3 PRO 24 -3.397 -15.005 -2.996 186 HG2 PRO 24 HG2 PRO 24 -2.280 -12.441 -1.928 187 HG3 PRO 24 HG3 PRO 24 -3.000 -13.800 -1.047 188 HD2 PRO 24 HD2 PRO 24 -0.323 -13.441 -1.234 189 HD3 PRO 24 HD3 PRO 24 -1.066 -15.051 -1.141 190 H ASP 25 H ASP 25 -2.959 -13.641 -6.155 191 HA ASP 25 HA ASP 25 -1.189 -11.496 -6.980 192 HB2 ASP 25 HB2 ASP 25 -2.812 -11.381 -8.944 193 HB3 ASP 25 HB3 ASP 25 -1.899 -12.877 -8.766 194 H VAL 26 H VAL 26 -2.671 -9.628 -8.126 195 HA VAL 26 HA VAL 26 -4.615 -8.690 -6.137 196 HB VAL 26 HB VAL 26 -2.137 -7.700 -6.031 197 HG11 VAL 26 HG11 VAL 26 -2.506 -6.958 -8.489 198 HG12 VAL 26 HG12 VAL 26 -3.440 -5.645 -7.771 199 HG13 VAL 26 HG13 VAL 26 -1.737 -5.846 -7.358 200 HG21 VAL 26 HG21 VAL 26 -3.747 -7.067 -4.435 201 HG22 VAL 26 HG22 VAL 26 -3.208 -5.559 -5.174 202 HG23 VAL 26 HG23 VAL 26 -4.752 -6.269 -5.645 203 H PHE 27 H PHE 27 -6.134 -7.164 -6.916 204 HA PHE 27 HA PHE 27 -6.680 -7.460 -9.747 205 HB2 PHE 27 HB2 PHE 27 -8.377 -7.570 -7.759 206 HB3 PHE 27 HB3 PHE 27 -8.361 -5.814 -7.889 207 HD1 PHE 27 HD1 PHE 27 -8.679 -8.803 -10.101 208 HD2 PHE 27 HD2 PHE 27 -9.952 -4.838 -9.218 209 HE1 PHE 27 HE1 PHE 27 -10.325 -8.929 -11.925 210 HE2 PHE 27 HE2 PHE 27 -11.601 -4.958 -11.039 211 HZ PHE 27 HZ PHE 27 -11.790 -7.005 -12.395 212 H VAL 28 H VAL 28 -5.860 -6.092 -11.175 213 HA VAL 28 HA VAL 28 -5.598 -3.255 -10.419 214 HB VAL 28 HB VAL 28 -3.482 -3.106 -11.163 215 HG11 VAL 28 HG11 VAL 28 -3.686 -6.104 -10.907 216 HG12 VAL 28 HG12 VAL 28 -2.176 -5.190 -10.939 217 HG13 VAL 28 HG13 VAL 28 -3.322 -4.957 -9.618 218 HG21 VAL 28 HG21 VAL 28 -3.955 -3.322 -13.475 219 HG22 VAL 28 HG22 VAL 28 -2.627 -4.431 -13.136 220 HG23 VAL 28 HG23 VAL 28 -4.267 -5.051 -13.322 221 H HIS 29 H HIS 29 -6.101 -1.727 -11.978 222 HA HIS 29 HA HIS 29 -6.980 -2.635 -14.605 223 HB2 HIS 29 HB2 HIS 29 -8.770 -1.634 -12.465 224 HB3 HIS 29 HB3 HIS 29 -9.041 -0.976 -14.076 225 HD1 HIS 29 HD1 HIS 29 -10.435 -2.357 -15.599 226 HD2 HIS 29 HD2 HIS 29 -8.902 -4.577 -12.440 227 HE1 HIS 29 HE1 HIS 29 -11.492 -4.630 -15.800 228 H PHE 30 H PHE 30 -7.451 -0.800 -16.070 229 HA PHE 30 HA PHE 30 -5.374 1.066 -16.074 230 HB2 PHE 30 HB2 PHE 30 -6.386 2.003 -18.007 231 HB3 PHE 30 HB3 PHE 30 -6.769 0.285 -18.050 232 HD1 PHE 30 HD1 PHE 30 -8.101 3.654 -17.551 233 HD2 PHE 30 HD2 PHE 30 -9.026 -0.496 -17.739 234 HE1 PHE 30 HE1 PHE 30 -10.494 4.199 -17.728 235 HE2 PHE 30 HE2 PHE 30 -11.420 0.042 -17.917 236 HZ PHE 30 HZ PHE 30 -12.157 2.392 -17.912 237 H THR 31 H THR 31 -8.374 1.098 -14.433 238 HA THR 31 HA THR 31 -8.459 3.979 -14.112 239 HB THR 31 HB THR 31 -10.461 3.635 -12.810 240 HG1 THR 31 HG1 THR 31 -11.107 1.599 -12.158 241 HG21 THR 31 HG21 THR 31 -10.758 3.522 -15.214 242 HG22 THR 31 HG22 THR 31 -11.846 2.376 -14.430 243 HG23 THR 31 HG23 THR 31 -10.372 1.802 -15.208 244 H ALA 32 H ALA 32 -6.469 1.789 -12.890 245 HA ALA 32 HA ALA 32 -6.342 3.112 -10.260 246 HB1 ALA 32 HB1 ALA 32 -6.131 1.165 -9.141 247 HB2 ALA 32 HB2 ALA 32 -6.995 0.518 -10.536 248 HB3 ALA 32 HB3 ALA 32 -5.239 0.385 -10.448 249 H ILE 33 H ILE 33 -4.620 1.734 -12.981 250 HA ILE 33 HA ILE 33 -2.003 1.842 -12.126 251 HB ILE 33 HB ILE 33 -3.119 2.481 -14.855 252 HG12 ILE 33 HG12 ILE 33 -1.598 0.004 -14.179 253 HG13 ILE 33 HG13 ILE 33 -3.261 0.134 -13.619 254 HG21 ILE 33 HG21 ILE 33 -1.006 3.488 -14.882 255 HG22 ILE 33 HG22 ILE 33 -0.285 2.205 -13.912 256 HG23 ILE 33 HG23 ILE 33 -0.741 1.894 -15.587 257 HD11 ILE 33 HD11 ILE 33 -3.843 -0.677 -15.598 258 HD12 ILE 33 HD12 ILE 33 -3.400 0.894 -16.267 259 HD13 ILE 33 HD13 ILE 33 -2.229 -0.424 -16.262 260 H GLU 34 H GLU 34 -0.603 3.400 -11.608 261 HA GLU 34 HA GLU 34 -1.425 6.189 -12.065 262 HB2 GLU 34 HB2 GLU 34 0.441 5.064 -9.969 263 HB3 GLU 34 HB3 GLU 34 0.019 6.760 -10.153 264 HG2 GLU 34 HG2 GLU 34 -2.229 4.876 -9.848 265 HG3 GLU 34 HG3 GLU 34 -1.199 5.112 -8.438 266 H ALA 35 H ALA 35 -0.527 6.422 -14.117 267 HA ALA 35 HA ALA 35 2.387 6.709 -14.121 268 HB1 ALA 35 HB1 ALA 35 1.624 4.473 -15.127 269 HB2 ALA 35 HB2 ALA 35 1.030 5.443 -16.476 270 HB3 ALA 35 HB3 ALA 35 2.744 5.466 -16.061 271 H ASP 36 H ASP 36 3.083 7.819 -16.246 272 HA ASP 36 HA ASP 36 1.136 9.950 -16.835 273 HB2 ASP 36 HB2 ASP 36 4.041 9.992 -16.264 274 HB3 ASP 36 HB3 ASP 36 3.494 11.066 -17.548 275 H GLY 37 H GLY 37 0.309 8.501 -18.522 276 HA2 GLY 37 HA2 GLY 37 0.365 8.960 -20.992 277 HA3 GLY 37 HA3 GLY 37 2.053 8.478 -20.907 278 H PHE 38 H PHE 38 2.433 6.488 -21.586 279 HA PHE 38 HA PHE 38 0.377 4.640 -22.159 280 HB2 PHE 38 HB2 PHE 38 3.367 4.229 -21.951 281 HB3 PHE 38 HB3 PHE 38 2.238 3.055 -22.620 282 HD1 PHE 38 HD2 PHE 38 1.029 3.566 -24.718 283 HD2 PHE 38 HD1 PHE 38 4.108 6.089 -23.213 284 HE1 PHE 38 HE2 PHE 38 1.236 4.626 -26.929 285 HE2 PHE 38 HE1 PHE 38 4.319 7.154 -25.420 286 HZ PHE 38 HZ PHE 38 2.883 6.422 -27.283 287 H ARG 39 H ARG 39 -0.779 3.592 -20.687 288 HA ARG 39 HA ARG 39 0.473 2.836 -18.147 289 HB2 ARG 39 HB2 ARG 39 -1.811 2.496 -17.329 290 HB3 ARG 39 HB3 ARG 39 -1.609 4.111 -17.995 291 HG2 ARG 39 HG2 ARG 39 -2.514 2.878 -20.178 292 HG3 ARG 39 HG3 ARG 39 -3.262 1.856 -18.949 293 HD2 ARG 39 HD2 ARG 39 -4.346 3.750 -17.951 294 HD3 ARG 39 HD3 ARG 39 -3.470 4.862 -19.002 295 HE ARG 39 HE ARG 39 -4.957 3.037 -20.557 296 HH11 ARG 39 HH11 ARG 39 -5.359 5.800 -18.478 297 HH12 ARG 39 HH12 ARG 39 -6.816 6.333 -19.250 298 HH21 ARG 39 HH21 ARG 39 -6.875 3.728 -21.582 299 HH22 ARG 39 HH22 ARG 39 -7.678 5.153 -21.014 300 H THR 40 H THR 40 1.400 1.296 -20.141 301 HA THR 40 HA THR 40 -0.086 -1.235 -19.854 302 HB THR 40 HB THR 40 1.691 -0.376 -22.146 303 HG1 THR 40 HG1 THR 40 -0.119 0.290 -23.001 304 HG21 THR 40 HG21 THR 40 0.496 -2.987 -21.371 305 HG22 THR 40 HG22 THR 40 2.020 -2.639 -22.188 306 HG23 THR 40 HG23 THR 40 0.501 -2.559 -23.081 307 H LEU 41 H LEU 41 0.972 -2.970 -19.064 308 HA LEU 41 HA LEU 41 3.811 -2.607 -18.380 309 HB2 LEU 41 HB2 LEU 41 1.661 -4.281 -17.098 310 HB3 LEU 41 HB3 LEU 41 3.367 -4.386 -16.669 311 HG LEU 41 HG LEU 41 2.358 -3.052 -15.011 312 HD11 LEU 41 HD11 LEU 41 3.529 -1.005 -15.173 313 HD12 LEU 41 HD12 LEU 41 3.497 -1.041 -16.935 314 HD13 LEU 41 HD13 LEU 41 4.491 -2.197 -16.048 315 HD21 LEU 41 HD21 LEU 41 0.518 -2.405 -17.006 316 HD22 LEU 41 HD22 LEU 41 1.286 -0.878 -16.570 317 HD23 LEU 41 HD23 LEU 41 0.509 -1.861 -15.328 318 H ASN 42 H ASN 42 4.824 -4.947 -17.985 319 HA ASN 42 HA ASN 42 4.128 -6.661 -20.268 320 HB2 ASN 42 HB2 ASN 42 6.991 -6.121 -19.506 321 HB3 ASN 42 HB3 ASN 42 6.369 -6.839 -20.989 322 HD21 ASN 42 HD21 ASN 42 5.658 -5.539 -22.627 323 HD22 ASN 42 HD22 ASN 42 5.869 -3.824 -22.633 324 H GLU 43 H GLU 43 4.041 -8.774 -19.808 325 HA GLU 43 HA GLU 43 4.048 -9.750 -17.221 326 HB2 GLU 43 HB2 GLU 43 2.968 -10.954 -19.020 327 HB3 GLU 43 HB3 GLU 43 4.511 -11.225 -19.816 328 HG2 GLU 43 HG2 GLU 43 5.215 -12.546 -17.813 329 HG3 GLU 43 HG3 GLU 43 3.560 -12.408 -17.223 330 H GLY 44 H GLY 44 5.555 -10.457 -15.831 331 HA2 GLY 44 HA2 GLY 44 7.599 -11.497 -15.232 332 HA3 GLY 44 HA3 GLY 44 8.230 -11.117 -16.827 333 H GLU 45 H GLU 45 6.930 -8.322 -16.224 334 HA GLU 45 HA GLU 45 9.395 -7.199 -15.180 335 HB2 GLU 45 HB2 GLU 45 8.206 -6.243 -17.173 336 HB3 GLU 45 HB3 GLU 45 6.908 -5.750 -16.095 337 HG2 GLU 45 HG2 GLU 45 8.068 -4.015 -15.268 338 HG3 GLU 45 HG3 GLU 45 9.601 -4.885 -15.300 339 H HIS 46 H HIS 46 9.353 -5.526 -13.506 340 HA HIS 46 HA HIS 46 7.602 -6.329 -11.317 341 HB2 HIS 46 HB2 HIS 46 9.765 -4.276 -11.036 342 HB3 HIS 46 HB3 HIS 46 9.180 -5.447 -9.858 343 HD1 HIS 46 HD1 HIS 46 10.288 -7.738 -9.825 344 HD2 HIS 46 HD2 HIS 46 11.628 -5.307 -12.917 345 HE1 HIS 46 HE1 HIS 46 12.297 -8.911 -10.780 346 H VAL 47 H VAL 47 6.162 -4.996 -10.301 347 HA VAL 47 HA VAL 47 5.992 -2.191 -10.992 348 HB VAL 47 HB VAL 47 3.676 -2.279 -11.768 349 HG11 VAL 47 HG11 VAL 47 4.083 -3.141 -13.989 350 HG12 VAL 47 HG12 VAL 47 5.536 -2.336 -13.393 351 HG13 VAL 47 HG13 VAL 47 5.442 -4.098 -13.401 352 HG21 VAL 47 HG21 VAL 47 2.538 -4.322 -12.242 353 HG22 VAL 47 HG22 VAL 47 3.972 -5.276 -11.865 354 HG23 VAL 47 HG23 VAL 47 3.123 -4.415 -10.581 355 H GLU 48 H GLU 48 4.921 -0.988 -9.468 356 HA GLU 48 HA GLU 48 4.336 -2.339 -6.975 357 HB2 GLU 48 HB2 GLU 48 5.631 -0.160 -7.179 358 HB3 GLU 48 HB3 GLU 48 4.095 0.613 -7.543 359 HG2 GLU 48 HG2 GLU 48 3.221 0.050 -5.395 360 HG3 GLU 48 HG3 GLU 48 4.624 -0.953 -5.032 361 H PHE 49 H PHE 49 2.376 -1.724 -5.722 362 HA PHE 49 HA PHE 49 0.065 -0.754 -7.072 363 HB2 PHE 49 HB2 PHE 49 -1.239 -2.829 -7.093 364 HB3 PHE 49 HB3 PHE 49 0.182 -2.972 -8.122 365 HD1 PHE 49 HD1 PHE 49 2.092 -4.344 -7.413 366 HD2 PHE 49 HD2 PHE 49 -1.512 -4.182 -5.154 367 HE1 PHE 49 HE1 PHE 49 2.760 -6.382 -6.207 368 HE2 PHE 49 HE2 PHE 49 -0.849 -6.219 -3.944 369 HZ PHE 49 HZ PHE 49 1.290 -7.322 -4.469 370 H GLU 50 H GLU 50 -1.292 0.050 -5.599 371 HA GLU 50 HA GLU 50 -0.836 -0.648 -2.792 372 HB2 GLU 50 HB2 GLU 50 -2.045 1.724 -4.177 373 HB3 GLU 50 HB3 GLU 50 -2.385 1.419 -2.479 374 HG2 GLU 50 HG2 GLU 50 0.057 1.428 -2.045 375 HG3 GLU 50 HG3 GLU 50 0.311 1.889 -3.728 376 H VAL 51 H VAL 51 -2.024 -2.418 -2.318 377 HA VAL 51 HA VAL 51 -4.562 -3.019 -3.387 378 HB VAL 51 HB VAL 51 -4.734 -4.715 -1.642 379 HG11 VAL 51 HG11 VAL 51 -1.939 -5.168 -2.126 380 HG12 VAL 51 HG12 VAL 51 -3.341 -5.981 -2.824 381 HG13 VAL 51 HG13 VAL 51 -2.711 -4.512 -3.570 382 HG21 VAL 51 HG21 VAL 51 -2.829 -4.915 -0.001 383 HG22 VAL 51 HG22 VAL 51 -2.377 -3.271 -0.450 384 HG23 VAL 51 HG23 VAL 51 -3.948 -3.582 0.288 385 H GLU 52 H GLU 52 -6.530 -2.298 -2.898 386 HA GLU 52 HA GLU 52 -6.883 -0.821 -0.372 387 HB2 GLU 52 HB2 GLU 52 -7.733 -0.201 -3.154 388 HB3 GLU 52 HB3 GLU 52 -8.843 0.224 -1.859 389 HG2 GLU 52 HG2 GLU 52 -6.020 1.180 -2.238 390 HG3 GLU 52 HG3 GLU 52 -7.503 2.128 -2.335 391 HA PRO 53 HA PRO 53 -10.217 -3.452 0.719 392 HB2 PRO 53 HB2 PRO 53 -11.983 -1.723 1.842 393 HB3 PRO 53 HB3 PRO 53 -10.467 -2.189 2.622 394 HG2 PRO 53 HG2 PRO 53 -11.111 0.280 1.056 395 HG3 PRO 53 HG3 PRO 53 -10.203 0.121 2.571 396 HD2 PRO 53 HD2 PRO 53 -8.989 0.419 0.169 397 HD3 PRO 53 HD3 PRO 53 -8.271 -0.522 1.492 398 H GLY 54 H GLY 54 -12.366 -0.754 0.276 399 HA2 GLY 54 HA2 GLY 54 -13.976 -2.289 -1.564 400 HA3 GLY 54 HA3 GLY 54 -14.357 -0.701 -0.916 401 H ARG 55 H ARG 55 -11.895 -2.159 -3.049 402 HA ARG 55 HA ARG 55 -12.437 -0.002 -4.975 403 HB2 ARG 55 HB2 ARG 55 -10.102 -0.229 -3.483 404 HB3 ARG 55 HB3 ARG 55 -9.680 -0.930 -5.040 405 HG2 ARG 55 HG2 ARG 55 -9.184 1.216 -5.520 406 HG3 ARG 55 HG3 ARG 55 -10.908 1.284 -5.892 407 HD2 ARG 55 HD2 ARG 55 -11.263 1.988 -3.488 408 HD3 ARG 55 HD3 ARG 55 -9.514 2.182 -3.381 409 HE ARG 55 HE ARG 55 -9.718 4.148 -4.516 410 HH11 ARG 55 HH11 ARG 55 -12.569 2.232 -5.086 411 HH12 ARG 55 HH12 ARG 55 -13.390 3.480 -5.964 412 HH21 ARG 55 HH21 ARG 55 -10.789 5.798 -5.671 413 HH22 ARG 55 HH22 ARG 55 -12.377 5.507 -6.297 414 H GLY 56 H GLY 56 -11.126 -3.245 -4.433 415 HA2 GLY 56 HA2 GLY 56 -11.577 -3.832 -7.290 416 HA3 GLY 56 HA3 GLY 56 -10.444 -4.694 -6.259 417 H GLY 57 H GLY 57 -12.632 -5.733 -7.915 418 HA2 GLY 57 HA2 GLY 57 -14.926 -6.436 -6.579 419 HA3 GLY 57 HA3 GLY 57 -14.122 -7.477 -7.744 420 H LYS 58 H LYS 58 -11.961 -8.420 -6.648 421 HA LYS 58 HA LYS 58 -12.892 -10.222 -4.665 422 HB2 LYS 58 HB2 LYS 58 -10.026 -9.691 -5.464 423 HB3 LYS 58 HB3 LYS 58 -10.657 -11.141 -4.693 424 HG2 LYS 58 HG2 LYS 58 -11.275 -10.178 -7.478 425 HG3 LYS 58 HG3 LYS 58 -10.262 -11.553 -7.034 426 HD2 LYS 58 HD2 LYS 58 -13.204 -11.294 -6.412 427 HD3 LYS 58 HD3 LYS 58 -12.529 -12.224 -7.753 428 HE2 LYS 58 HE2 LYS 58 -11.195 -13.494 -6.012 429 HE3 LYS 58 HE3 LYS 58 -12.209 -12.713 -4.800 430 HZ1 LYS 58 HZ1 LYS 58 -13.286 -14.326 -7.044 431 HZ2 LYS 58 HZ2 LYS 58 -14.133 -13.742 -5.702 432 HZ3 LYS 58 HZ3 LYS 58 -12.972 -14.957 -5.506 433 H GLY 59 H GLY 59 -11.743 -7.063 -4.456 434 HA2 GLY 59 HA2 GLY 59 -12.045 -6.116 -2.166 435 HA3 GLY 59 HA3 GLY 59 -11.047 -7.451 -1.609 436 HA PRO 60 HA PRO 60 -7.435 -5.017 -2.056 437 HB2 PRO 60 HB2 PRO 60 -5.604 -6.848 -2.871 438 HB3 PRO 60 HB3 PRO 60 -6.249 -6.801 -1.226 439 HG2 PRO 60 HG2 PRO 60 -7.035 -8.558 -3.518 440 HG3 PRO 60 HG3 PRO 60 -6.797 -8.983 -1.813 441 HD2 PRO 60 HD2 PRO 60 -9.251 -8.595 -2.889 442 HD3 PRO 60 HD3 PRO 60 -8.877 -8.203 -1.198 443 H GLN 61 H GLN 61 -7.439 -3.533 -3.647 444 HA GLN 61 HA GLN 61 -6.959 -4.463 -6.401 445 HB2 GLN 61 HB2 GLN 61 -9.128 -3.103 -5.632 446 HB3 GLN 61 HB3 GLN 61 -8.050 -1.742 -5.911 447 HG2 GLN 61 HG2 GLN 61 -7.648 -2.563 -8.196 448 HG3 GLN 61 HG3 GLN 61 -8.799 -3.867 -7.906 449 HE21 GLN 61 HE21 GLN 61 -8.859 -0.421 -7.085 450 HE22 GLN 61 HE22 GLN 61 -10.340 -0.075 -7.903 451 H ALA 62 H ALA 62 -5.744 -2.924 -7.776 452 HA ALA 62 HA ALA 62 -3.422 -1.957 -6.325 453 HB1 ALA 62 HB1 ALA 62 -4.030 -2.390 -9.231 454 HB2 ALA 62 HB2 ALA 62 -2.592 -1.513 -8.708 455 HB3 ALA 62 HB3 ALA 62 -2.828 -3.191 -8.218 456 H LYS 63 H LYS 63 -5.222 -0.328 -5.464 457 HA LYS 63 HA LYS 63 -6.199 1.801 -6.842 458 HB2 LYS 63 HB2 LYS 63 -6.010 1.190 -4.214 459 HB3 LYS 63 HB3 LYS 63 -4.867 2.523 -4.300 460 HG2 LYS 63 HG2 LYS 63 -7.777 2.576 -5.063 461 HG3 LYS 63 HG3 LYS 63 -7.014 3.382 -3.690 462 HD2 LYS 63 HD2 LYS 63 -7.009 5.155 -5.091 463 HD3 LYS 63 HD3 LYS 63 -5.541 4.393 -5.706 464 HE2 LYS 63 HE2 LYS 63 -6.510 4.333 -7.706 465 HE3 LYS 63 HE3 LYS 63 -7.631 3.137 -7.057 466 HZ1 LYS 63 HZ1 LYS 63 -8.887 4.898 -8.015 467 HZ2 LYS 63 HZ2 LYS 63 -8.019 6.076 -7.166 468 HZ3 LYS 63 HZ3 LYS 63 -9.049 5.023 -6.335 469 H LYS 64 H LYS 64 -2.874 1.358 -5.743 470 HA LYS 64 HA LYS 64 -2.088 3.607 -7.474 471 HB2 LYS 64 HB2 LYS 64 -1.895 3.627 -4.728 472 HB3 LYS 64 HB3 LYS 64 -0.292 3.093 -5.216 473 HG2 LYS 64 HG2 LYS 64 -0.258 5.466 -4.996 474 HG3 LYS 64 HG3 LYS 64 -0.156 5.073 -6.714 475 HD2 LYS 64 HD2 LYS 64 -1.694 6.915 -6.375 476 HD3 LYS 64 HD3 LYS 64 -2.576 5.490 -6.928 477 HE2 LYS 64 HE2 LYS 64 -3.712 6.706 -5.089 478 HE3 LYS 64 HE3 LYS 64 -3.336 5.029 -4.695 479 HZ1 LYS 64 HZ1 LYS 64 -1.310 6.969 -3.962 480 HZ2 LYS 64 HZ2 LYS 64 -1.897 5.637 -3.101 481 HZ3 LYS 64 HZ3 LYS 64 -2.765 7.089 -3.106 482 H VAL 65 H VAL 65 -1.429 2.355 -9.182 483 HA VAL 65 HA VAL 65 0.576 0.275 -8.671 484 HB VAL 65 HB VAL 65 -1.562 0.512 -10.550 485 HG11 VAL 65 HG11 VAL 65 1.161 0.189 -11.810 486 HG12 VAL 65 HG12 VAL 65 -0.385 -0.079 -12.618 487 HG13 VAL 65 HG13 VAL 65 0.051 1.536 -12.059 488 HG21 VAL 65 HG21 VAL 65 -0.671 -1.453 -9.141 489 HG22 VAL 65 HG22 VAL 65 -1.289 -1.793 -10.757 490 HG23 VAL 65 HG23 VAL 65 0.450 -1.709 -10.478 491 H ARG 66 H ARG 66 2.611 0.335 -9.553 492 HA ARG 66 HA ARG 66 3.350 2.734 -11.082 493 HB2 ARG 66 HB2 ARG 66 5.118 1.582 -8.932 494 HB3 ARG 66 HB3 ARG 66 5.278 3.125 -9.762 495 HG2 ARG 66 HG2 ARG 66 3.207 3.893 -8.661 496 HG3 ARG 66 HG3 ARG 66 3.149 2.369 -7.773 497 HD2 ARG 66 HD2 ARG 66 5.278 2.866 -6.725 498 HD3 ARG 66 HD3 ARG 66 5.424 4.346 -7.672 499 HE ARG 66 HE ARG 66 3.884 3.969 -5.287 500 HH11 ARG 66 HH11 ARG 66 4.134 5.789 -8.244 501 HH12 ARG 66 HH12 ARG 66 3.264 7.156 -7.630 502 HH21 ARG 66 HH21 ARG 66 2.738 5.762 -4.467 503 HH22 ARG 66 HH22 ARG 66 2.471 7.140 -5.481 504 H ARG 67 H ARG 67 5.164 2.500 -12.460 505 HA ARG 67 HA ARG 67 5.535 -0.237 -13.378 506 HB2 ARG 67 HB2 ARG 67 6.467 0.718 -15.371 507 HB3 ARG 67 HB3 ARG 67 5.015 1.623 -14.967 508 HG2 ARG 67 HG2 ARG 67 6.321 3.405 -15.333 509 HG3 ARG 67 HG3 ARG 67 6.888 3.094 -13.691 510 HD2 ARG 67 HD2 ARG 67 8.901 3.170 -14.746 511 HD3 ARG 67 HD3 ARG 67 8.535 1.461 -14.984 512 HE ARG 67 HE ARG 67 7.560 3.113 -17.109 513 HH11 ARG 67 HH11 ARG 67 10.361 1.465 -15.861 514 HH12 ARG 67 HH12 ARG 67 11.123 1.311 -17.409 515 HH21 ARG 67 HH21 ARG 67 8.553 2.917 -19.154 516 HH22 ARG 67 HH22 ARG 67 10.094 2.138 -19.281 517 H ILE 68 H ILE 68 7.364 -1.391 -13.180 518 HA ILE 68 HA ILE 68 9.828 -0.047 -12.349 519 HB ILE 68 HB ILE 68 8.891 -2.534 -10.933 520 HG12 ILE 68 HG12 ILE 68 8.296 0.334 -10.382 521 HG13 ILE 68 HG13 ILE 68 7.304 -1.092 -10.100 522 HG21 ILE 68 HG21 ILE 68 10.673 -2.141 -9.438 523 HG22 ILE 68 HG22 ILE 68 11.341 -1.908 -11.053 524 HG23 ILE 68 HG23 ILE 68 10.933 -0.510 -10.058 525 HD11 ILE 68 HD11 ILE 68 8.921 -1.670 -8.242 526 HD12 ILE 68 HD12 ILE 68 9.561 -0.037 -8.434 527 HD13 ILE 68 HD13 ILE 68 7.874 -0.276 -7.980 Start of MODEL 2 1 H1 MET 1 H MET 1 0.118 -1.539 0.330 2 HA MET 1 HA MET 1 1.210 -0.115 -1.978 3 HB2 MET 1 HB2 MET 1 1.278 1.495 -0.129 4 HB3 MET 1 HB3 MET 1 2.147 0.331 0.863 5 HG2 MET 1 HG2 MET 1 3.892 0.367 -1.037 6 HG3 MET 1 HG3 MET 1 3.099 1.866 -1.516 7 HE1 MET 1 HE1 MET 1 4.563 3.618 -1.256 8 HE2 MET 1 HE2 MET 1 3.408 4.234 -0.075 9 HE3 MET 1 HE3 MET 1 5.137 4.293 0.269 10 H LYS 2 H LYS 2 1.593 -2.251 -2.760 11 HA LYS 2 HA LYS 2 3.962 -3.495 -1.538 12 HB2 LYS 2 HB2 LYS 2 1.657 -5.003 -2.783 13 HB3 LYS 2 HB3 LYS 2 3.095 -5.707 -2.056 14 HG2 LYS 2 HG2 LYS 2 1.143 -4.009 -0.526 15 HG3 LYS 2 HG3 LYS 2 1.018 -5.766 -0.649 16 HD2 LYS 2 HD2 LYS 2 3.220 -6.007 0.365 17 HD3 LYS 2 HD3 LYS 2 3.392 -4.252 0.443 18 HE2 LYS 2 HE2 LYS 2 2.649 -4.624 2.559 19 HE3 LYS 2 HE3 LYS 2 1.090 -4.477 1.751 20 HZ1 LYS 2 HZ1 LYS 2 2.444 -7.081 2.154 21 HZ2 LYS 2 HZ2 LYS 2 0.836 -6.805 1.709 22 HZ3 LYS 2 HZ3 LYS 2 1.355 -6.434 3.276 23 H LYS 3 H LYS 3 5.477 -4.343 -2.951 24 HA LYS 3 HA LYS 3 5.063 -3.659 -5.787 25 HB2 LYS 3 HB2 LYS 3 7.690 -3.848 -4.302 26 HB3 LYS 3 HB3 LYS 3 7.461 -3.319 -5.964 27 HG2 LYS 3 HG2 LYS 3 6.491 -1.301 -5.317 28 HG3 LYS 3 HG3 LYS 3 6.150 -1.883 -3.685 29 HD2 LYS 3 HD2 LYS 3 8.383 -1.692 -3.024 30 HD3 LYS 3 HD3 LYS 3 8.967 -1.644 -4.689 31 HE2 LYS 3 HE2 LYS 3 7.165 0.511 -3.660 32 HE3 LYS 3 HE3 LYS 3 8.888 0.543 -3.286 33 HZ1 LYS 3 HZ1 LYS 3 8.095 0.142 -6.074 34 HZ2 LYS 3 HZ2 LYS 3 9.443 0.942 -5.441 35 HZ3 LYS 3 HZ3 LYS 3 7.928 1.695 -5.424 36 H GLY 4 H GLY 4 5.429 -5.176 -7.331 37 HA2 GLY 4 HA2 GLY 4 6.945 -7.550 -6.873 38 HA3 GLY 4 HA3 GLY 4 5.220 -7.870 -6.781 39 H THR 5 H THR 5 6.540 -9.204 -8.662 40 HA THR 5 HA THR 5 6.666 -7.808 -11.164 41 HB THR 5 HB THR 5 6.716 -10.300 -12.023 42 HG1 THR 5 HG1 THR 5 6.123 -10.903 -9.696 43 HG21 THR 5 HG21 THR 5 8.714 -9.235 -12.319 44 HG22 THR 5 HG22 THR 5 9.188 -10.342 -11.030 45 HG23 THR 5 HG23 THR 5 8.783 -8.668 -10.651 46 H VAL 6 H VAL 6 5.364 -8.298 -13.036 47 HA VAL 6 HA VAL 6 2.558 -8.703 -12.314 48 HB VAL 6 HB VAL 6 3.223 -6.685 -13.630 49 HG11 VAL 6 HG11 VAL 6 4.288 -6.780 -15.605 50 HG12 VAL 6 HG12 VAL 6 4.770 -8.393 -15.072 51 HG13 VAL 6 HG13 VAL 6 3.380 -8.194 -16.141 52 HG21 VAL 6 HG21 VAL 6 1.249 -8.662 -14.727 53 HG22 VAL 6 HG22 VAL 6 0.949 -7.234 -13.737 54 HG23 VAL 6 HG23 VAL 6 1.432 -7.051 -15.423 55 H LYS 7 H LYS 7 1.416 -10.440 -12.910 56 HA LYS 7 HA LYS 7 2.775 -12.632 -14.197 57 HB2 LYS 7 HB2 LYS 7 0.965 -12.622 -12.261 58 HB3 LYS 7 HB3 LYS 7 -0.153 -12.701 -13.616 59 HG2 LYS 7 HG2 LYS 7 0.309 -14.846 -14.020 60 HG3 LYS 7 HG3 LYS 7 2.046 -14.610 -13.808 61 HD2 LYS 7 HD2 LYS 7 1.446 -16.055 -12.069 62 HD3 LYS 7 HD3 LYS 7 1.525 -14.468 -11.301 63 HE2 LYS 7 HE2 LYS 7 -0.493 -15.068 -10.488 64 HE3 LYS 7 HE3 LYS 7 -1.056 -14.491 -12.056 65 HZ1 LYS 7 HZ1 LYS 7 -0.891 -16.789 -12.874 66 HZ2 LYS 7 HZ2 LYS 7 -1.995 -16.636 -11.602 67 HZ3 LYS 7 HZ3 LYS 7 -0.468 -17.307 -11.320 68 H TRP 8 H TRP 8 0.268 -10.315 -15.015 69 HA TRP 8 HA TRP 8 0.683 -10.581 -17.787 70 HB2 TRP 8 HB2 TRP 8 -1.260 -11.731 -18.528 71 HB3 TRP 8 HB3 TRP 8 -0.547 -12.743 -17.275 72 HD1 TRP 8 HD1 TRP 8 -3.434 -10.193 -17.687 73 HE1 TRP 8 HE1 TRP 8 -5.293 -10.822 -16.022 74 HE3 TRP 8 HE3 TRP 8 -1.089 -14.040 -15.269 75 HZ2 TRP 8 HZ2 TRP 8 -5.709 -12.700 -13.956 76 HZ3 TRP 8 HZ3 TRP 8 -2.287 -15.200 -13.460 77 HH2 TRP 8 HH2 TRP 8 -4.549 -14.542 -12.818 78 H PHE 9 H PHE 9 -0.289 -8.938 -18.924 79 HA PHE 9 HA PHE 9 -2.287 -7.304 -17.533 80 HB2 PHE 9 HB2 PHE 9 -0.016 -6.339 -17.131 81 HB3 PHE 9 HB3 PHE 9 0.164 -6.143 -18.872 82 HD1 PHE 9 HD1 PHE 9 -1.333 -4.576 -20.091 83 HD2 PHE 9 HD2 PHE 9 -1.250 -4.799 -15.841 84 HE1 PHE 9 HE1 PHE 9 -2.434 -2.380 -19.958 85 HE2 PHE 9 HE2 PHE 9 -2.352 -2.604 -15.701 86 HZ PHE 9 HZ PHE 9 -2.946 -1.391 -17.761 87 H ASN 10 H ASN 10 -3.979 -7.061 -18.819 88 HA ASN 10 HA ASN 10 -3.617 -7.294 -21.717 89 HB2 ASN 10 HB2 ASN 10 -5.371 -8.600 -20.196 90 HB3 ASN 10 HB3 ASN 10 -6.327 -7.149 -20.484 91 HD21 ASN 10 HD21 ASN 10 -7.624 -7.272 -22.152 92 HD22 ASN 10 HD22 ASN 10 -7.375 -8.219 -23.576 93 H ALA 11 H ALA 11 -3.284 -5.412 -22.704 94 HA ALA 11 HA ALA 11 -4.261 -2.924 -21.644 95 HB1 ALA 11 HB1 ALA 11 -2.706 -1.988 -22.942 96 HB2 ALA 11 HB2 ALA 11 -2.161 -3.634 -23.271 97 HB3 ALA 11 HB3 ALA 11 -3.275 -2.835 -24.381 98 H GLU 12 H GLU 12 -5.329 -5.248 -23.976 99 HA GLU 12 HA GLU 12 -6.995 -3.614 -25.547 100 HB2 GLU 12 HB2 GLU 12 -7.054 -6.555 -24.897 101 HB3 GLU 12 HB3 GLU 12 -8.237 -5.812 -25.965 102 HG2 GLU 12 HG2 GLU 12 -6.619 -5.277 -27.571 103 HG3 GLU 12 HG3 GLU 12 -5.290 -5.546 -26.444 104 H LYS 13 H LYS 13 -7.592 -5.411 -22.560 105 HA LYS 13 HA LYS 13 -10.329 -4.407 -22.445 106 HB2 LYS 13 HB2 LYS 13 -8.778 -6.412 -20.821 107 HB3 LYS 13 HB3 LYS 13 -10.341 -5.807 -20.287 108 HG2 LYS 13 HG2 LYS 13 -9.812 -7.228 -22.889 109 HG3 LYS 13 HG3 LYS 13 -10.533 -7.947 -21.448 110 HD2 LYS 13 HD2 LYS 13 -12.172 -5.858 -21.736 111 HD3 LYS 13 HD3 LYS 13 -11.692 -6.063 -23.422 112 HE2 LYS 13 HE2 LYS 13 -13.661 -7.355 -23.086 113 HE3 LYS 13 HE3 LYS 13 -12.311 -8.482 -23.207 114 HZ1 LYS 13 HZ1 LYS 13 -12.782 -9.268 -21.207 115 HZ2 LYS 13 HZ2 LYS 13 -14.163 -8.293 -21.161 116 HZ3 LYS 13 HZ3 LYS 13 -12.707 -7.727 -20.513 117 H GLY 14 H GLY 14 -7.267 -4.156 -20.698 118 HA2 GLY 14 HA2 GLY 14 -6.591 -2.108 -19.669 119 HA3 GLY 14 HA3 GLY 14 -8.286 -1.702 -19.442 120 H TYR 15 H TYR 15 -6.649 -4.736 -18.647 121 HA TYR 15 HA TYR 15 -6.791 -4.121 -15.803 122 HB2 TYR 15 HB2 TYR 15 -8.165 -5.949 -15.206 123 HB3 TYR 15 HB3 TYR 15 -8.991 -5.176 -16.554 124 HD1 TYR 15 HD1 TYR 15 -8.140 -6.169 -18.942 125 HD2 TYR 15 HD2 TYR 15 -8.148 -8.247 -15.230 126 HE1 TYR 15 HE1 TYR 15 -8.183 -8.311 -20.149 127 HE2 TYR 15 HE2 TYR 15 -8.190 -10.396 -16.426 128 HH TYR 15 HH TYR 15 -8.669 -11.339 -18.501 129 H GLY 16 H GLY 16 -5.877 -6.021 -14.501 130 HA2 GLY 16 HA2 GLY 16 -4.227 -7.949 -15.742 131 HA3 GLY 16 HA3 GLY 16 -3.263 -6.535 -15.339 132 H PHE 17 H PHE 17 -2.383 -8.643 -14.135 133 HA PHE 17 HA PHE 17 -3.320 -8.358 -11.370 134 HB2 PHE 17 HB2 PHE 17 -2.931 -10.922 -12.894 135 HB3 PHE 17 HB3 PHE 17 -2.803 -10.878 -11.139 136 HD1 PHE 17 HD1 PHE 17 -5.110 -9.828 -13.872 137 HD2 PHE 17 HD2 PHE 17 -4.690 -11.260 -9.886 138 HE1 PHE 17 HE1 PHE 17 -7.555 -10.037 -13.693 139 HE2 PHE 17 HE2 PHE 17 -7.134 -11.472 -9.701 140 HZ PHE 17 HZ PHE 17 -8.570 -10.859 -11.606 141 H ILE 18 H ILE 18 -1.736 -8.366 -9.833 142 HA ILE 18 HA ILE 18 1.030 -8.684 -10.802 143 HB ILE 18 HB ILE 18 0.036 -6.772 -8.686 144 HG12 ILE 18 HG12 ILE 18 1.388 -5.929 -11.215 145 HG13 ILE 18 HG13 ILE 18 -0.315 -6.370 -11.276 146 HG21 ILE 18 HG21 ILE 18 2.205 -7.476 -8.055 147 HG22 ILE 18 HG22 ILE 18 2.794 -7.385 -9.714 148 HG23 ILE 18 HG23 ILE 18 2.403 -5.907 -8.835 149 HD11 ILE 18 HD11 ILE 18 -0.376 -4.698 -9.195 150 HD12 ILE 18 HD12 ILE 18 0.997 -4.023 -10.074 151 HD13 ILE 18 HD13 ILE 18 -0.571 -4.173 -10.867 152 H GLN 19 H GLN 19 2.525 -9.667 -9.442 153 HA GLN 19 HA GLN 19 1.354 -11.110 -7.157 154 HB2 GLN 19 HB2 GLN 19 3.847 -12.048 -8.509 155 HB3 GLN 19 HB3 GLN 19 2.620 -12.978 -7.661 156 HG2 GLN 19 HG2 GLN 19 2.330 -11.725 -10.382 157 HG3 GLN 19 HG3 GLN 19 2.577 -13.437 -10.040 158 HE21 GLN 19 HE21 GLN 19 0.324 -11.188 -10.800 159 HE22 GLN 19 HE22 GLN 19 -1.093 -11.975 -10.202 160 H GLN 20 H GLN 20 2.013 -10.391 -5.252 161 HA GLN 20 HA GLN 20 4.579 -8.991 -5.058 162 HB2 GLN 20 HB2 GLN 20 3.688 -8.321 -2.781 163 HB3 GLN 20 HB3 GLN 20 2.814 -7.686 -4.170 164 HG2 GLN 20 HG2 GLN 20 1.023 -9.176 -3.857 165 HG3 GLN 20 HG3 GLN 20 1.945 -10.171 -2.732 166 HE21 GLN 20 HE21 GLN 20 2.949 -8.484 -0.957 167 HE22 GLN 20 HE22 GLN 20 1.706 -7.612 -0.133 168 H GLU 21 H GLU 21 5.331 -9.269 -2.522 169 HA GLU 21 HA GLU 21 6.480 -11.857 -2.452 170 HB2 GLU 21 HB2 GLU 21 6.340 -9.758 -0.280 171 HB3 GLU 21 HB3 GLU 21 7.390 -11.167 -0.269 172 HG2 GLU 21 HG2 GLU 21 8.800 -10.308 -1.845 173 HG3 GLU 21 HG3 GLU 21 7.549 -9.305 -2.578 174 H GLU 22 H GLU 22 3.570 -10.520 -1.156 175 HA GLU 22 HA GLU 22 3.047 -12.135 1.020 176 HB2 GLU 22 HB2 GLU 22 1.432 -10.610 -0.908 177 HB3 GLU 22 HB3 GLU 22 0.576 -11.934 -0.131 178 HG2 GLU 22 HG2 GLU 22 2.128 -10.321 1.731 179 HG3 GLU 22 HG3 GLU 22 0.885 -9.408 0.876 180 H GLY 23 H GLY 23 1.601 -12.745 -2.183 181 HA2 GLY 23 HA2 GLY 23 2.471 -15.285 -2.678 182 HA3 GLY 23 HA3 GLY 23 1.155 -15.509 -1.535 183 HA PRO 24 HA PRO 24 -1.873 -15.191 -4.684 184 HB2 PRO 24 HB2 PRO 24 -3.728 -13.474 -3.695 185 HB3 PRO 24 HB3 PRO 24 -3.499 -15.108 -3.062 186 HG2 PRO 24 HG2 PRO 24 -2.484 -12.504 -1.992 187 HG3 PRO 24 HG3 PRO 24 -3.190 -13.874 -1.116 188 HD2 PRO 24 HD2 PRO 24 -0.520 -13.441 -1.233 189 HD3 PRO 24 HD3 PRO 24 -1.220 -15.070 -1.144 190 H ASP 25 H ASP 25 -2.977 -13.788 -6.248 191 HA ASP 25 HA ASP 25 -1.243 -11.650 -7.101 192 HB2 ASP 25 HB2 ASP 25 -2.916 -11.507 -9.014 193 HB3 ASP 25 HB3 ASP 25 -2.057 -13.036 -8.844 194 H VAL 26 H VAL 26 -2.722 -9.756 -8.215 195 HA VAL 26 HA VAL 26 -4.592 -8.759 -6.187 196 HB VAL 26 HB VAL 26 -2.097 -7.855 -6.060 197 HG11 VAL 26 HG11 VAL 26 -1.566 -6.075 -7.420 198 HG12 VAL 26 HG12 VAL 26 -2.434 -7.121 -8.546 199 HG13 VAL 26 HG13 VAL 26 -3.250 -5.737 -7.817 200 HG21 VAL 26 HG21 VAL 26 -3.415 -6.963 -4.446 201 HG22 VAL 26 HG22 VAL 26 -3.306 -5.538 -5.480 202 HG23 VAL 26 HG23 VAL 26 -4.723 -6.585 -5.567 203 H PHE 27 H PHE 27 -6.079 -7.199 -6.941 204 HA PHE 27 HA PHE 27 -6.664 -7.451 -9.763 205 HB2 PHE 27 HB2 PHE 27 -8.358 -7.522 -7.806 206 HB3 PHE 27 HB3 PHE 27 -8.227 -5.766 -7.824 207 HD1 PHE 27 HD1 PHE 27 -9.333 -8.719 -9.696 208 HD2 PHE 27 HD2 PHE 27 -9.189 -4.467 -9.589 209 HE1 PHE 27 HE1 PHE 27 -11.001 -8.621 -11.502 210 HE2 PHE 27 HE2 PHE 27 -10.858 -4.361 -11.394 211 HZ PHE 27 HZ PHE 27 -11.766 -6.440 -12.353 212 H VAL 28 H VAL 28 -5.808 -6.120 -11.204 213 HA VAL 28 HA VAL 28 -5.401 -3.300 -10.450 214 HB VAL 28 HB VAL 28 -3.298 -3.250 -11.242 215 HG11 VAL 28 HG11 VAL 28 -2.095 -5.409 -11.077 216 HG12 VAL 28 HG12 VAL 28 -3.176 -5.112 -9.714 217 HG13 VAL 28 HG13 VAL 28 -3.651 -6.235 -10.989 218 HG21 VAL 28 HG21 VAL 28 -3.848 -3.429 -13.544 219 HG22 VAL 28 HG22 VAL 28 -2.554 -4.589 -13.245 220 HG23 VAL 28 HG23 VAL 28 -4.221 -5.146 -13.392 221 H HIS 29 H HIS 29 -5.912 -1.746 -11.965 222 HA HIS 29 HA HIS 29 -6.893 -2.603 -14.579 223 HB2 HIS 29 HB2 HIS 29 -8.587 -1.742 -12.377 224 HB3 HIS 29 HB3 HIS 29 -8.782 -0.715 -13.794 225 HD1 HIS 29 HD1 HIS 29 -10.300 -1.573 -15.565 226 HD2 HIS 29 HD2 HIS 29 -9.025 -4.586 -13.004 227 HE1 HIS 29 HE1 HIS 29 -11.585 -3.624 -16.247 228 H PHE 30 H PHE 30 -7.239 -0.787 -16.061 229 HA PHE 30 HA PHE 30 -5.086 0.994 -16.075 230 HB2 PHE 30 HB2 PHE 30 -6.020 1.914 -18.045 231 HB3 PHE 30 HB3 PHE 30 -6.510 0.223 -18.047 232 HD1 PHE 30 HD2 PHE 30 -8.846 -0.289 -17.040 233 HD2 PHE 30 HD1 PHE 30 -7.601 3.565 -18.351 234 HE1 PHE 30 HE2 PHE 30 -11.199 0.394 -17.257 235 HE2 PHE 30 HE1 PHE 30 -9.953 4.254 -18.569 236 HZ PHE 30 HZ PHE 30 -11.756 2.667 -18.024 237 H THR 31 H THR 31 -8.098 1.172 -14.469 238 HA THR 31 HA THR 31 -8.034 4.065 -14.182 239 HB THR 31 HB THR 31 -9.912 2.364 -12.604 240 HG1 THR 31 HG1 THR 31 -11.274 2.396 -14.569 241 HG21 THR 31 HG21 THR 31 -11.106 4.517 -14.052 242 HG22 THR 31 HG22 THR 31 -9.640 5.102 -13.266 243 HG23 THR 31 HG23 THR 31 -10.907 4.334 -12.310 244 H ALA 32 H ALA 32 -6.239 1.764 -12.878 245 HA ALA 32 HA ALA 32 -6.065 3.146 -10.288 246 HB1 ALA 32 HB1 ALA 32 -5.320 0.346 -10.112 247 HB2 ALA 32 HB2 ALA 32 -6.398 1.297 -9.089 248 HB3 ALA 32 HB3 ALA 32 -7.008 0.566 -10.573 249 H ILE 33 H ILE 33 -4.562 2.595 -13.080 250 HA ILE 33 HA ILE 33 -1.920 1.979 -12.023 251 HB ILE 33 HB ILE 33 -2.881 2.485 -14.838 252 HG12 ILE 33 HG12 ILE 33 -1.690 -0.053 -13.752 253 HG13 ILE 33 HG13 ILE 33 -3.402 0.299 -13.541 254 HG21 ILE 33 HG21 ILE 33 -0.372 1.333 -14.989 255 HG22 ILE 33 HG22 ILE 33 -0.774 3.016 -15.327 256 HG23 ILE 33 HG23 ILE 33 -0.205 2.550 -13.724 257 HD11 ILE 33 HD11 ILE 33 -3.620 -0.778 -15.485 258 HD12 ILE 33 HD12 ILE 33 -3.093 0.748 -16.196 259 HD13 ILE 33 HD13 ILE 33 -1.927 -0.546 -15.920 260 H GLU 34 H GLU 34 -0.483 3.472 -11.460 261 HA GLU 34 HA GLU 34 -0.961 6.253 -12.299 262 HB2 GLU 34 HB2 GLU 34 0.671 5.349 -9.928 263 HB3 GLU 34 HB3 GLU 34 0.114 6.977 -10.288 264 HG2 GLU 34 HG2 GLU 34 -2.195 5.417 -10.185 265 HG3 GLU 34 HG3 GLU 34 -1.196 4.869 -8.840 266 H ALA 35 H ALA 35 0.176 6.045 -14.264 267 HA ALA 35 HA ALA 35 3.099 5.964 -13.925 268 HB1 ALA 35 HB1 ALA 35 3.149 4.962 -16.270 269 HB2 ALA 35 HB2 ALA 35 2.657 3.902 -14.949 270 HB3 ALA 35 HB3 ALA 35 1.442 4.595 -16.021 271 H ASP 36 H ASP 36 4.161 6.854 -16.037 272 HA ASP 36 HA ASP 36 2.793 9.382 -16.660 273 HB2 ASP 36 HB2 ASP 36 5.633 8.632 -16.238 274 HB3 ASP 36 HB3 ASP 36 5.315 9.847 -17.473 275 H GLY 37 H GLY 37 1.535 8.555 -18.371 276 HA2 GLY 37 HA2 GLY 37 1.787 8.931 -20.847 277 HA3 GLY 37 HA3 GLY 37 3.087 7.753 -20.754 278 H PHE 38 H PHE 38 2.136 6.315 -22.183 279 HA PHE 38 HA PHE 38 -0.541 5.411 -21.954 280 HB2 PHE 38 HB2 PHE 38 1.173 5.264 -23.947 281 HB3 PHE 38 HB3 PHE 38 1.583 3.718 -23.210 282 HD1 PHE 38 HD1 PHE 38 -1.586 5.570 -23.905 283 HD2 PHE 38 HD2 PHE 38 0.610 1.942 -24.268 284 HE1 PHE 38 HE1 PHE 38 -3.504 4.526 -25.038 285 HE2 PHE 38 HE2 PHE 38 -1.304 0.893 -25.403 286 HZ PHE 38 HZ PHE 38 -3.365 2.185 -25.788 287 H ARG 39 H ARG 39 -1.297 4.316 -20.271 288 HA ARG 39 HA ARG 39 0.298 2.897 -18.430 289 HB2 ARG 39 HB2 ARG 39 -2.676 2.637 -18.910 290 HB3 ARG 39 HB3 ARG 39 -1.809 2.133 -17.466 291 HG2 ARG 39 HG2 ARG 39 -1.664 4.233 -16.650 292 HG3 ARG 39 HG3 ARG 39 -1.507 4.961 -18.250 293 HD2 ARG 39 HD2 ARG 39 -4.071 3.810 -17.165 294 HD3 ARG 39 HD3 ARG 39 -3.632 5.513 -17.051 295 HE ARG 39 HE ARG 39 -4.630 4.145 -19.353 296 HH11 ARG 39 HH11 ARG 39 -2.617 6.778 -18.290 297 HH12 ARG 39 HH12 ARG 39 -2.820 7.693 -19.747 298 HH21 ARG 39 HH21 ARG 39 -4.905 5.340 -21.276 299 HH22 ARG 39 HH22 ARG 39 -4.122 6.874 -21.445 300 H THR 40 H THR 40 1.489 1.229 -19.173 301 HA THR 40 HA THR 40 0.073 -1.155 -20.024 302 HB THR 40 HB THR 40 2.394 -0.335 -21.737 303 HG1 THR 40 HG1 THR 40 1.115 1.325 -22.258 304 HG21 THR 40 HG21 THR 40 0.925 -1.711 -23.376 305 HG22 THR 40 HG22 THR 40 0.106 -2.262 -21.915 306 HG23 THR 40 HG23 THR 40 1.831 -2.557 -22.123 307 H LEU 41 H LEU 41 1.041 -2.980 -19.318 308 HA LEU 41 HA LEU 41 3.736 -2.712 -18.156 309 HB2 LEU 41 HB2 LEU 41 1.283 -4.105 -17.176 310 HB3 LEU 41 HB3 LEU 41 2.873 -4.711 -16.717 311 HG LEU 41 HG LEU 41 3.389 -2.547 -15.682 312 HD11 LEU 41 HD11 LEU 41 2.231 -0.875 -16.708 313 HD12 LEU 41 HD12 LEU 41 1.191 -1.131 -15.307 314 HD13 LEU 41 HD13 LEU 41 0.760 -1.835 -16.866 315 HD21 LEU 41 HD21 LEU 41 0.766 -3.669 -14.707 316 HD22 LEU 41 HD22 LEU 41 1.960 -2.782 -13.759 317 HD23 LEU 41 HD23 LEU 41 2.346 -4.385 -14.387 318 H ASN 42 H ASN 42 4.930 -4.803 -17.995 319 HA ASN 42 HA ASN 42 4.286 -6.587 -20.248 320 HB2 ASN 42 HB2 ASN 42 7.092 -5.825 -19.431 321 HB3 ASN 42 HB3 ASN 42 6.592 -6.705 -20.872 322 HD21 ASN 42 HD21 ASN 42 6.124 -5.603 -22.668 323 HD22 ASN 42 HD22 ASN 42 6.068 -3.880 -22.784 324 H GLU 43 H GLU 43 4.167 -8.674 -19.738 325 HA GLU 43 HA GLU 43 4.260 -9.659 -17.166 326 HB2 GLU 43 HB2 GLU 43 3.179 -10.868 -18.975 327 HB3 GLU 43 HB3 GLU 43 4.730 -11.140 -19.758 328 HG2 GLU 43 HG2 GLU 43 5.410 -12.406 -17.682 329 HG3 GLU 43 HG3 GLU 43 3.718 -12.327 -17.195 330 H GLY 44 H GLY 44 5.836 -10.110 -15.776 331 HA2 GLY 44 HA2 GLY 44 7.907 -11.206 -15.238 332 HA3 GLY 44 HA3 GLY 44 8.505 -10.769 -16.831 333 H GLU 45 H GLU 45 7.113 -8.037 -16.150 334 HA GLU 45 HA GLU 45 9.546 -6.855 -15.090 335 HB2 GLU 45 HB2 GLU 45 8.339 -5.905 -17.075 336 HB3 GLU 45 HB3 GLU 45 7.022 -5.466 -15.996 337 HG2 GLU 45 HG2 GLU 45 8.117 -3.697 -15.165 338 HG3 GLU 45 HG3 GLU 45 9.669 -4.533 -15.149 339 H HIS 46 H HIS 46 9.467 -5.237 -13.379 340 HA HIS 46 HA HIS 46 7.706 -6.108 -11.223 341 HB2 HIS 46 HB2 HIS 46 9.773 -4.012 -10.785 342 HB3 HIS 46 HB3 HIS 46 9.295 -5.354 -9.750 343 HD1 HIS 46 HD1 HIS 46 10.421 -7.655 -10.198 344 HD2 HIS 46 HD2 HIS 46 11.840 -4.553 -12.571 345 HE1 HIS 46 HE1 HIS 46 12.541 -8.519 -11.239 346 H VAL 47 H VAL 47 6.231 -4.822 -10.206 347 HA VAL 47 HA VAL 47 6.042 -2.000 -10.812 348 HB VAL 47 HB VAL 47 3.752 -2.082 -11.655 349 HG11 VAL 47 HG11 VAL 47 4.229 -2.784 -13.883 350 HG12 VAL 47 HG12 VAL 47 5.724 -2.139 -13.202 351 HG13 VAL 47 HG13 VAL 47 5.492 -3.883 -13.329 352 HG21 VAL 47 HG21 VAL 47 2.637 -4.115 -12.214 353 HG22 VAL 47 HG22 VAL 47 4.067 -5.074 -11.830 354 HG23 VAL 47 HG23 VAL 47 3.183 -4.254 -10.543 355 H GLU 48 H GLU 48 4.901 -0.860 -9.286 356 HA GLU 48 HA GLU 48 4.239 -2.323 -6.866 357 HB2 GLU 48 HB2 GLU 48 5.601 -0.201 -6.867 358 HB3 GLU 48 HB3 GLU 48 4.138 0.660 -7.322 359 HG2 GLU 48 HG2 GLU 48 3.081 0.137 -5.271 360 HG3 GLU 48 HG3 GLU 48 4.334 -1.028 -4.846 361 H PHE 49 H PHE 49 2.253 -1.757 -5.653 362 HA PHE 49 HA PHE 49 0.014 -0.647 -7.027 363 HB2 PHE 49 HB2 PHE 49 -1.332 -2.649 -7.253 364 HB3 PHE 49 HB3 PHE 49 0.171 -2.862 -8.144 365 HD1 PHE 49 HD1 PHE 49 1.875 -4.409 -7.360 366 HD2 PHE 49 HD2 PHE 49 -1.819 -3.953 -5.295 367 HE1 PHE 49 HE1 PHE 49 2.306 -6.497 -6.133 368 HE2 PHE 49 HE2 PHE 49 -1.393 -6.040 -4.065 369 HZ PHE 49 HZ PHE 49 0.672 -7.315 -4.482 370 H GLU 50 H GLU 50 -1.360 0.136 -5.560 371 HA GLU 50 HA GLU 50 -0.967 -0.601 -2.768 372 HB2 GLU 50 HB2 GLU 50 -1.698 1.788 -4.164 373 HB3 GLU 50 HB3 GLU 50 -2.981 1.381 -3.032 374 HG2 GLU 50 HG2 GLU 50 -1.139 1.140 -1.290 375 HG3 GLU 50 HG3 GLU 50 -0.096 1.952 -2.456 376 H VAL 51 H VAL 51 -2.031 -2.449 -2.305 377 HA VAL 51 HA VAL 51 -4.339 -3.455 -3.400 378 HB VAL 51 HB VAL 51 -4.694 -4.615 -1.178 379 HG11 VAL 51 HG11 VAL 51 -1.841 -4.931 -1.986 380 HG12 VAL 51 HG12 VAL 51 -3.057 -6.162 -1.639 381 HG13 VAL 51 HG13 VAL 51 -3.112 -5.270 -3.161 382 HG21 VAL 51 HG21 VAL 51 -3.587 -4.018 0.669 383 HG22 VAL 51 HG22 VAL 51 -2.059 -3.857 -0.195 384 HG23 VAL 51 HG23 VAL 51 -3.210 -2.522 -0.185 385 H GLU 52 H GLU 52 -6.084 -2.193 -3.744 386 HA GLU 52 HA GLU 52 -7.031 -0.284 -1.839 387 HB2 GLU 52 HB2 GLU 52 -7.333 -0.490 -4.489 388 HB3 GLU 52 HB3 GLU 52 -8.827 -1.270 -3.991 389 HG2 GLU 52 HG2 GLU 52 -9.662 0.651 -3.016 390 HG3 GLU 52 HG3 GLU 52 -8.066 1.380 -2.847 391 HA PRO 53 HA PRO 53 -9.542 -2.874 0.680 392 HB2 PRO 53 HB2 PRO 53 -11.312 -1.024 1.581 393 HB3 PRO 53 HB3 PRO 53 -9.638 -1.105 2.143 394 HG2 PRO 53 HG2 PRO 53 -10.862 0.696 0.088 395 HG3 PRO 53 HG3 PRO 53 -9.701 1.088 1.370 396 HD2 PRO 53 HD2 PRO 53 -8.956 0.717 -1.206 397 HD3 PRO 53 HD3 PRO 53 -7.906 0.293 0.162 398 H GLY 54 H GLY 54 -12.131 -0.684 0.032 399 HA2 GLY 54 HA2 GLY 54 -13.667 -2.855 -1.157 400 HA3 GLY 54 HA3 GLY 54 -14.301 -1.315 -0.595 401 H ARG 55 H ARG 55 -11.899 -2.359 -3.021 402 HA ARG 55 HA ARG 55 -13.410 -0.859 -5.042 403 HB2 ARG 55 HB2 ARG 55 -11.306 0.337 -4.035 404 HB3 ARG 55 HB3 ARG 55 -10.416 -0.776 -5.066 405 HG2 ARG 55 HG2 ARG 55 -10.604 0.996 -6.478 406 HG3 ARG 55 HG3 ARG 55 -12.082 0.128 -6.897 407 HD2 ARG 55 HD2 ARG 55 -13.429 1.683 -5.938 408 HD3 ARG 55 HD3 ARG 55 -12.264 2.065 -4.671 409 HE ARG 55 HE ARG 55 -11.369 2.958 -7.220 410 HH11 ARG 55 HH11 ARG 55 -13.537 3.720 -4.605 411 HH12 ARG 55 HH12 ARG 55 -13.531 5.423 -4.923 412 HH21 ARG 55 HH21 ARG 55 -11.353 5.198 -7.649 413 HH22 ARG 55 HH22 ARG 55 -12.289 6.262 -6.655 414 H GLY 56 H GLY 56 -10.932 -3.280 -4.341 415 HA2 GLY 56 HA2 GLY 56 -10.893 -4.286 -7.040 416 HA3 GLY 56 HA3 GLY 56 -10.089 -4.996 -5.648 417 H GLY 57 H GLY 57 -11.865 -6.074 -7.874 418 HA2 GLY 57 HA2 GLY 57 -14.347 -6.879 -7.052 419 HA3 GLY 57 HA3 GLY 57 -13.281 -7.885 -8.021 420 H LYS 58 H LYS 58 -11.308 -8.604 -6.357 421 HA LYS 58 HA LYS 58 -12.696 -10.357 -4.502 422 HB2 LYS 58 HB2 LYS 58 -9.741 -10.256 -5.117 423 HB3 LYS 58 HB3 LYS 58 -10.623 -11.570 -4.350 424 HG2 LYS 58 HG2 LYS 58 -10.949 -10.649 -7.199 425 HG3 LYS 58 HG3 LYS 58 -10.089 -12.094 -6.662 426 HD2 LYS 58 HD2 LYS 58 -13.029 -11.544 -6.252 427 HD3 LYS 58 HD3 LYS 58 -12.346 -12.619 -7.474 428 HE2 LYS 58 HE2 LYS 58 -12.091 -12.931 -4.484 429 HE3 LYS 58 HE3 LYS 58 -13.142 -13.875 -5.539 430 HZ1 LYS 58 HZ1 LYS 58 -10.873 -14.340 -6.743 431 HZ2 LYS 58 HZ2 LYS 58 -11.360 -15.257 -5.408 432 HZ3 LYS 58 HZ3 LYS 58 -10.238 -14.006 -5.210 433 H GLY 59 H GLY 59 -11.453 -7.314 -4.332 434 HA2 GLY 59 HA2 GLY 59 -11.750 -6.363 -2.023 435 HA3 GLY 59 HA3 GLY 59 -10.667 -7.646 -1.503 436 HA PRO 60 HA PRO 60 -7.195 -5.049 -2.113 437 HB2 PRO 60 HB2 PRO 60 -5.316 -6.799 -2.995 438 HB3 PRO 60 HB3 PRO 60 -5.893 -6.770 -1.324 439 HG2 PRO 60 HG2 PRO 60 -6.691 -8.579 -3.572 440 HG3 PRO 60 HG3 PRO 60 -6.363 -8.979 -1.876 441 HD2 PRO 60 HD2 PRO 60 -8.875 -8.714 -2.850 442 HD3 PRO 60 HD3 PRO 60 -8.449 -8.293 -1.178 443 H GLN 61 H GLN 61 -7.129 -3.572 -3.686 444 HA GLN 61 HA GLN 61 -6.884 -4.500 -6.471 445 HB2 GLN 61 HB2 GLN 61 -8.880 -2.938 -5.439 446 HB3 GLN 61 HB3 GLN 61 -7.763 -1.727 -6.055 447 HG2 GLN 61 HG2 GLN 61 -7.799 -2.892 -8.246 448 HG3 GLN 61 HG3 GLN 61 -9.041 -3.966 -7.604 449 HE21 GLN 61 HE21 GLN 61 -10.736 -3.386 -8.834 450 HE22 GLN 61 HE22 GLN 61 -11.422 -1.801 -8.873 451 H ALA 62 H ALA 62 -6.025 -2.429 -7.818 452 HA ALA 62 HA ALA 62 -3.409 -1.852 -6.630 453 HB1 ALA 62 HB1 ALA 62 -4.407 -1.889 -9.461 454 HB2 ALA 62 HB2 ALA 62 -2.862 -1.158 -9.023 455 HB3 ALA 62 HB3 ALA 62 -3.142 -2.873 -8.723 456 H LYS 63 H LYS 63 -5.244 -0.328 -5.443 457 HA LYS 63 HA LYS 63 -6.215 1.982 -6.414 458 HB2 LYS 63 HB2 LYS 63 -6.459 1.526 -4.091 459 HB3 LYS 63 HB3 LYS 63 -4.719 1.530 -3.836 460 HG2 LYS 63 HG2 LYS 63 -5.141 3.592 -3.039 461 HG3 LYS 63 HG3 LYS 63 -5.031 4.028 -4.746 462 HD2 LYS 63 HD2 LYS 63 -7.646 3.214 -3.525 463 HD3 LYS 63 HD3 LYS 63 -7.053 4.870 -3.379 464 HE2 LYS 63 HE2 LYS 63 -7.522 3.368 -5.954 465 HE3 LYS 63 HE3 LYS 63 -8.555 4.632 -5.289 466 HZ1 LYS 63 HZ1 LYS 63 -6.067 4.857 -6.732 467 HZ2 LYS 63 HZ2 LYS 63 -6.153 5.838 -5.358 468 HZ3 LYS 63 HZ3 LYS 63 -7.328 5.973 -6.568 469 H LYS 64 H LYS 64 -2.810 1.396 -5.642 470 HA LYS 64 HA LYS 64 -2.113 3.704 -7.319 471 HB2 LYS 64 HB2 LYS 64 -1.863 3.721 -4.566 472 HB3 LYS 64 HB3 LYS 64 -0.252 3.269 -5.108 473 HG2 LYS 64 HG2 LYS 64 0.200 5.360 -5.671 474 HG3 LYS 64 HG3 LYS 64 -1.237 5.445 -6.692 475 HD2 LYS 64 HD2 LYS 64 -1.195 5.877 -3.705 476 HD3 LYS 64 HD3 LYS 64 -1.232 7.159 -4.918 477 HE2 LYS 64 HE2 LYS 64 -3.313 5.246 -5.430 478 HE3 LYS 64 HE3 LYS 64 -3.411 5.816 -3.765 479 HZ1 LYS 64 HZ1 LYS 64 -3.429 7.474 -6.225 480 HZ2 LYS 64 HZ2 LYS 64 -3.314 8.111 -4.663 481 HZ3 LYS 64 HZ3 LYS 64 -4.699 7.259 -5.128 482 H VAL 65 H VAL 65 -1.405 2.513 -9.034 483 HA VAL 65 HA VAL 65 0.593 0.422 -8.558 484 HB VAL 65 HB VAL 65 -1.474 0.799 -10.522 485 HG11 VAL 65 HG11 VAL 65 1.308 0.383 -11.609 486 HG12 VAL 65 HG12 VAL 65 -0.183 0.123 -12.517 487 HG13 VAL 65 HG13 VAL 65 0.235 1.740 -11.948 488 HG21 VAL 65 HG21 VAL 65 -0.842 -1.225 -9.105 489 HG22 VAL 65 HG22 VAL 65 -1.272 -1.527 -10.789 490 HG23 VAL 65 HG23 VAL 65 0.422 -1.521 -10.300 491 H ARG 66 H ARG 66 2.649 0.500 -9.393 492 HA ARG 66 HA ARG 66 3.441 2.952 -10.806 493 HB2 ARG 66 HB2 ARG 66 5.152 1.715 -8.658 494 HB3 ARG 66 HB3 ARG 66 5.328 3.291 -9.418 495 HG2 ARG 66 HG2 ARG 66 3.162 3.950 -8.351 496 HG3 ARG 66 HG3 ARG 66 3.219 2.430 -7.456 497 HD2 ARG 66 HD2 ARG 66 4.246 3.765 -5.931 498 HD3 ARG 66 HD3 ARG 66 5.659 3.313 -6.884 499 HE ARG 66 HE ARG 66 4.419 5.673 -7.886 500 HH11 ARG 66 HH11 ARG 66 6.528 4.470 -5.391 501 HH12 ARG 66 HH12 ARG 66 7.348 5.980 -5.174 502 HH21 ARG 66 HH21 ARG 66 5.491 7.667 -7.609 503 HH22 ARG 66 HH22 ARG 66 6.757 7.799 -6.436 504 H ARG 67 H ARG 67 5.346 2.761 -12.095 505 HA ARG 67 HA ARG 67 5.713 0.056 -13.118 506 HB2 ARG 67 HB2 ARG 67 5.252 2.009 -14.636 507 HB3 ARG 67 HB3 ARG 67 6.838 2.637 -14.210 508 HG2 ARG 67 HG2 ARG 67 6.661 -0.143 -15.239 509 HG3 ARG 67 HG3 ARG 67 6.455 1.191 -16.376 510 HD2 ARG 67 HD2 ARG 67 8.616 2.115 -15.258 511 HD3 ARG 67 HD3 ARG 67 8.839 0.447 -14.732 512 HE ARG 67 HE ARG 67 9.455 -0.083 -16.862 513 HH11 ARG 67 HH11 ARG 67 7.668 2.904 -16.932 514 HH12 ARG 67 HH12 ARG 67 7.943 3.181 -18.620 515 HH21 ARG 67 HH21 ARG 67 9.824 0.270 -19.085 516 HH22 ARG 67 HH22 ARG 67 9.169 1.681 -19.844 517 H ILE 68 H ILE 68 7.505 -1.127 -12.846 518 HA ILE 68 HA ILE 68 9.950 0.182 -11.893 519 HB ILE 68 HB ILE 68 8.738 -2.270 -10.609 520 HG12 ILE 68 HG12 ILE 68 8.036 0.307 -10.132 521 HG13 ILE 68 HG13 ILE 68 7.989 -0.963 -8.914 522 HG21 ILE 68 HG21 ILE 68 11.359 -0.858 -10.162 523 HG22 ILE 68 HG22 ILE 68 10.663 -2.004 -9.017 524 HG23 ILE 68 HG23 ILE 68 11.100 -2.535 -10.641 525 HD11 ILE 68 HD11 ILE 68 10.376 0.806 -9.345 526 HD12 ILE 68 HD12 ILE 68 9.075 1.185 -8.217 527 HD13 ILE 68 HD13 ILE 68 10.047 -0.268 -7.985 Start of MODEL 3 1 H1 MET 1 H MET 1 2.163 -0.085 1.423 2 HA MET 1 HA MET 1 1.140 -0.372 -1.318 3 HB2 MET 1 HB2 MET 1 3.896 0.570 -0.552 4 HB3 MET 1 HB3 MET 1 3.060 0.787 -2.084 5 HG2 MET 1 HG2 MET 1 1.363 2.150 -0.700 6 HG3 MET 1 HG3 MET 1 2.642 2.208 0.510 7 HE1 MET 1 HE1 MET 1 3.761 5.579 -0.461 8 HE2 MET 1 HE2 MET 1 2.707 4.636 0.593 9 HE3 MET 1 HE3 MET 1 4.421 4.235 0.472 10 H LYS 2 H LYS 2 1.793 -2.008 -2.615 11 HA LYS 2 HA LYS 2 3.820 -3.864 -1.556 12 HB2 LYS 2 HB2 LYS 2 1.307 -4.670 -3.029 13 HB3 LYS 2 HB3 LYS 2 2.517 -5.748 -2.347 14 HG2 LYS 2 HG2 LYS 2 0.766 -3.879 -0.762 15 HG3 LYS 2 HG3 LYS 2 0.492 -5.610 -0.971 16 HD2 LYS 2 HD2 LYS 2 2.554 -6.122 0.168 17 HD3 LYS 2 HD3 LYS 2 2.973 -4.409 0.257 18 HE2 LYS 2 HE2 LYS 2 1.287 -3.967 1.826 19 HE3 LYS 2 HE3 LYS 2 0.450 -5.479 1.481 20 HZ1 LYS 2 HZ1 LYS 2 2.233 -5.030 3.509 21 HZ2 LYS 2 HZ2 LYS 2 3.116 -5.931 2.382 22 HZ3 LYS 2 HZ3 LYS 2 1.659 -6.536 2.994 23 H LYS 3 H LYS 3 5.378 -4.443 -2.942 24 HA LYS 3 HA LYS 3 5.039 -3.691 -5.772 25 HB2 LYS 3 HB2 LYS 3 7.600 -3.822 -4.168 26 HB3 LYS 3 HB3 LYS 3 7.467 -3.360 -5.860 27 HG2 LYS 3 HG2 LYS 3 6.622 -1.300 -5.379 28 HG3 LYS 3 HG3 LYS 3 5.875 -1.836 -3.872 29 HD2 LYS 3 HD2 LYS 3 8.858 -1.684 -4.200 30 HD3 LYS 3 HD3 LYS 3 7.903 -0.286 -3.701 31 HE2 LYS 3 HE2 LYS 3 7.252 -1.294 -1.703 32 HE3 LYS 3 HE3 LYS 3 7.645 -2.912 -2.281 33 HZ1 LYS 3 HZ1 LYS 3 9.218 -1.411 -0.686 34 HZ2 LYS 3 HZ2 LYS 3 9.898 -1.120 -2.207 35 HZ3 LYS 3 HZ3 LYS 3 9.758 -2.705 -1.634 36 H GLY 4 H GLY 4 5.482 -5.172 -7.332 37 HA2 GLY 4 HA2 GLY 4 7.058 -7.495 -6.939 38 HA3 GLY 4 HA3 GLY 4 5.355 -7.893 -6.773 39 H THR 5 H THR 5 6.648 -9.159 -8.718 40 HA THR 5 HA THR 5 6.672 -7.782 -11.213 41 HB THR 5 HB THR 5 6.693 -10.207 -12.131 42 HG1 THR 5 HG1 THR 5 6.079 -11.477 -10.492 43 HG21 THR 5 HG21 THR 5 8.942 -9.492 -10.260 44 HG22 THR 5 HG22 THR 5 8.660 -8.636 -11.776 45 HG23 THR 5 HG23 THR 5 9.029 -10.360 -11.792 46 H VAL 6 H VAL 6 5.302 -8.266 -13.052 47 HA VAL 6 HA VAL 6 2.508 -8.566 -12.237 48 HB VAL 6 HB VAL 6 3.191 -6.583 -13.591 49 HG11 VAL 6 HG11 VAL 6 4.182 -6.724 -15.606 50 HG12 VAL 6 HG12 VAL 6 4.657 -8.332 -15.055 51 HG13 VAL 6 HG13 VAL 6 3.239 -8.135 -16.086 52 HG21 VAL 6 HG21 VAL 6 1.146 -8.503 -14.674 53 HG22 VAL 6 HG22 VAL 6 0.893 -7.121 -13.608 54 HG23 VAL 6 HG23 VAL 6 1.333 -6.863 -15.296 55 H LYS 7 H LYS 7 1.330 -10.305 -12.721 56 HA LYS 7 HA LYS 7 2.549 -12.568 -13.973 57 HB2 LYS 7 HB2 LYS 7 0.667 -12.383 -12.109 58 HB3 LYS 7 HB3 LYS 7 -0.396 -12.448 -13.508 59 HG2 LYS 7 HG2 LYS 7 0.626 -14.562 -14.187 60 HG3 LYS 7 HG3 LYS 7 1.686 -14.498 -12.777 61 HD2 LYS 7 HD2 LYS 7 -1.230 -14.255 -12.296 62 HD3 LYS 7 HD3 LYS 7 -0.620 -15.839 -12.783 63 HE2 LYS 7 HE2 LYS 7 1.116 -14.748 -10.799 64 HE3 LYS 7 HE3 LYS 7 -0.546 -14.637 -10.222 65 HZ1 LYS 7 HZ1 LYS 7 -0.823 -16.992 -10.651 66 HZ2 LYS 7 HZ2 LYS 7 0.480 -16.738 -9.604 67 HZ3 LYS 7 HZ3 LYS 7 0.762 -17.105 -11.231 68 H TRP 8 H TRP 8 0.077 -10.225 -14.906 69 HA TRP 8 HA TRP 8 0.624 -10.490 -17.660 70 HB2 TRP 8 HB2 TRP 8 -1.341 -11.610 -18.463 71 HB3 TRP 8 HB3 TRP 8 -0.587 -12.653 -17.260 72 HD1 TRP 8 HD1 TRP 8 -3.455 -10.033 -17.380 73 HE1 TRP 8 HE1 TRP 8 -5.309 -10.823 -15.779 74 HE3 TRP 8 HE3 TRP 8 -1.189 -14.219 -15.517 75 HZ2 TRP 8 HZ2 TRP 8 -5.752 -12.941 -13.965 76 HZ3 TRP 8 HZ3 TRP 8 -2.395 -15.572 -13.853 77 HH2 TRP 8 HH2 TRP 8 -4.629 -14.944 -13.094 78 H PHE 9 H PHE 9 -0.431 -8.931 -18.901 79 HA PHE 9 HA PHE 9 -2.343 -7.206 -17.486 80 HB2 PHE 9 HB2 PHE 9 -0.003 -6.263 -17.420 81 HB3 PHE 9 HB3 PHE 9 -0.074 -6.145 -19.175 82 HD1 PHE 9 HD2 PHE 9 -1.485 -4.881 -16.022 83 HD2 PHE 9 HD1 PHE 9 -1.299 -4.415 -20.249 84 HE1 PHE 9 HE2 PHE 9 -2.566 -2.680 -15.823 85 HE2 PHE 9 HE1 PHE 9 -2.380 -2.212 -20.057 86 HZ PHE 9 HZ PHE 9 -3.015 -1.343 -17.842 87 H ASN 10 H ASN 10 -4.133 -7.677 -18.642 88 HA ASN 10 HA ASN 10 -4.054 -7.969 -21.509 89 HB2 ASN 10 HB2 ASN 10 -5.619 -9.162 -19.791 90 HB3 ASN 10 HB3 ASN 10 -6.591 -7.700 -19.929 91 HD21 ASN 10 HD21 ASN 10 -8.266 -8.145 -21.162 92 HD22 ASN 10 HD22 ASN 10 -8.220 -8.975 -22.677 93 H ALA 11 H ALA 11 -3.573 -6.089 -22.527 94 HA ALA 11 HA ALA 11 -4.644 -3.560 -21.728 95 HB1 ALA 11 HB1 ALA 11 -3.309 -2.632 -23.344 96 HB2 ALA 11 HB2 ALA 11 -2.453 -4.146 -23.048 97 HB3 ALA 11 HB3 ALA 11 -3.512 -3.992 -24.449 98 H GLU 12 H GLU 12 -5.699 -6.114 -23.789 99 HA GLU 12 HA GLU 12 -7.349 -4.696 -25.561 100 HB2 GLU 12 HB2 GLU 12 -7.248 -7.511 -24.571 101 HB3 GLU 12 HB3 GLU 12 -8.672 -6.985 -25.459 102 HG2 GLU 12 HG2 GLU 12 -6.977 -6.146 -27.217 103 HG3 GLU 12 HG3 GLU 12 -5.845 -7.218 -26.396 104 H LYS 13 H LYS 13 -7.762 -5.597 -22.236 105 HA LYS 13 HA LYS 13 -10.516 -4.550 -22.303 106 HB2 LYS 13 HB2 LYS 13 -9.230 -6.586 -20.486 107 HB3 LYS 13 HB3 LYS 13 -10.771 -5.823 -20.117 108 HG2 LYS 13 HG2 LYS 13 -10.307 -7.278 -22.697 109 HG3 LYS 13 HG3 LYS 13 -10.822 -8.111 -21.229 110 HD2 LYS 13 HD2 LYS 13 -12.604 -6.107 -21.249 111 HD3 LYS 13 HD3 LYS 13 -12.308 -6.248 -22.984 112 HE2 LYS 13 HE2 LYS 13 -12.994 -8.513 -23.009 113 HE3 LYS 13 HE3 LYS 13 -12.963 -8.617 -21.249 114 HZ1 LYS 13 HZ1 LYS 13 -14.779 -6.906 -21.275 115 HZ2 LYS 13 HZ2 LYS 13 -15.211 -8.426 -21.877 116 HZ3 LYS 13 HZ3 LYS 13 -14.901 -7.151 -22.944 117 H GLY 14 H GLY 14 -7.427 -4.500 -20.612 118 HA2 GLY 14 HA2 GLY 14 -6.563 -2.460 -19.705 119 HA3 GLY 14 HA3 GLY 14 -8.215 -1.927 -19.427 120 H TYR 15 H TYR 15 -6.668 -5.002 -18.570 121 HA TYR 15 HA TYR 15 -6.748 -4.282 -15.746 122 HB2 TYR 15 HB2 TYR 15 -8.110 -6.097 -15.068 123 HB3 TYR 15 HB3 TYR 15 -8.964 -5.345 -16.411 124 HD1 TYR 15 HD2 TYR 15 -7.009 -8.275 -15.356 125 HD2 TYR 15 HD1 TYR 15 -9.284 -6.511 -18.489 126 HE1 TYR 15 HE2 TYR 15 -7.093 -10.446 -16.510 127 HE2 TYR 15 HE1 TYR 15 -9.376 -8.678 -19.651 128 HH TYR 15 HH TYR 15 -7.400 -11.177 -19.038 129 H GLY 16 H GLY 16 -5.806 -6.118 -14.390 130 HA2 GLY 16 HA2 GLY 16 -4.179 -8.093 -15.602 131 HA3 GLY 16 HA3 GLY 16 -3.212 -6.673 -15.234 132 H PHE 17 H PHE 17 -2.319 -8.744 -13.987 133 HA PHE 17 HA PHE 17 -3.252 -8.410 -11.226 134 HB2 PHE 17 HB2 PHE 17 -2.786 -11.019 -12.666 135 HB3 PHE 17 HB3 PHE 17 -2.771 -10.900 -10.909 136 HD1 PHE 17 HD1 PHE 17 -4.903 -10.057 -13.844 137 HD2 PHE 17 HD2 PHE 17 -4.737 -11.194 -9.746 138 HE1 PHE 17 HE1 PHE 17 -7.352 -10.291 -13.814 139 HE2 PHE 17 HE2 PHE 17 -7.186 -11.431 -9.709 140 HZ PHE 17 HZ PHE 17 -8.497 -10.978 -11.744 141 H ILE 18 H ILE 18 -1.665 -8.379 -9.692 142 HA ILE 18 HA ILE 18 1.102 -8.682 -10.664 143 HB ILE 18 HB ILE 18 0.099 -6.765 -8.555 144 HG12 ILE 18 HG12 ILE 18 1.406 -5.919 -11.107 145 HG13 ILE 18 HG13 ILE 18 -0.291 -6.389 -11.144 146 HG21 ILE 18 HG21 ILE 18 2.860 -7.262 -9.653 147 HG22 ILE 18 HG22 ILE 18 2.422 -5.874 -8.658 148 HG23 ILE 18 HG23 ILE 18 2.308 -7.505 -7.996 149 HD11 ILE 18 HD11 ILE 18 -0.374 -4.705 -9.083 150 HD12 ILE 18 HD12 ILE 18 0.999 -4.018 -9.953 151 HD13 ILE 18 HD13 ILE 18 -0.562 -4.184 -10.757 152 H GLN 19 H GLN 19 2.589 -9.691 -9.340 153 HA GLN 19 HA GLN 19 1.466 -11.044 -6.976 154 HB2 GLN 19 HB2 GLN 19 3.823 -12.115 -8.485 155 HB3 GLN 19 HB3 GLN 19 2.670 -12.974 -7.472 156 HG2 GLN 19 HG2 GLN 19 2.201 -11.889 -10.237 157 HG3 GLN 19 HG3 GLN 19 2.307 -13.581 -9.755 158 HE21 GLN 19 HE21 GLN 19 0.220 -11.250 -10.620 159 HE22 GLN 19 HE22 GLN 19 -1.209 -11.802 -9.820 160 H GLN 20 H GLN 20 2.319 -10.469 -5.098 161 HA GLN 20 HA GLN 20 4.988 -9.226 -5.090 162 HB2 GLN 20 HB2 GLN 20 4.320 -8.072 -3.058 163 HB3 GLN 20 HB3 GLN 20 3.156 -7.761 -4.338 164 HG2 GLN 20 HG2 GLN 20 1.484 -8.813 -3.263 165 HG3 GLN 20 HG3 GLN 20 2.548 -10.044 -2.584 166 HE21 GLN 20 HE21 GLN 20 4.329 -8.697 -1.147 167 HE22 GLN 20 HE22 GLN 20 3.568 -7.788 0.110 168 H GLU 21 H GLU 21 5.571 -9.354 -2.416 169 HA GLU 21 HA GLU 21 6.591 -11.975 -2.161 170 HB2 GLU 21 HB2 GLU 21 6.327 -9.887 0.007 171 HB3 GLU 21 HB3 GLU 21 7.422 -11.262 0.002 172 HG2 GLU 21 HG2 GLU 21 8.582 -10.313 -1.941 173 HG3 GLU 21 HG3 GLU 21 7.504 -8.920 -1.886 174 H GLU 22 H GLU 22 3.660 -10.464 -1.084 175 HA GLU 22 HA GLU 22 2.884 -11.992 1.058 176 HB2 GLU 22 HB2 GLU 22 1.393 -10.673 -1.164 177 HB3 GLU 22 HB3 GLU 22 0.509 -11.751 -0.093 178 HG2 GLU 22 HG2 GLU 22 2.205 -9.523 0.972 179 HG3 GLU 22 HG3 GLU 22 0.537 -9.263 0.465 180 H GLY 23 H GLY 23 1.594 -12.689 -2.187 181 HA2 GLY 23 HA2 GLY 23 2.437 -15.216 -2.652 182 HA3 GLY 23 HA3 GLY 23 1.175 -15.453 -1.452 183 HA PRO 24 HA PRO 24 -2.004 -15.202 -4.458 184 HB2 PRO 24 HB2 PRO 24 -3.800 -13.425 -3.464 185 HB3 PRO 24 HB3 PRO 24 -3.556 -15.034 -2.773 186 HG2 PRO 24 HG2 PRO 24 -2.473 -12.396 -1.860 187 HG3 PRO 24 HG3 PRO 24 -3.152 -13.721 -0.896 188 HD2 PRO 24 HD2 PRO 24 -0.486 -13.321 -1.148 189 HD3 PRO 24 HD3 PRO 24 -1.195 -14.937 -0.958 190 H ASP 25 H ASP 25 -3.165 -13.854 -6.030 191 HA ASP 25 HA ASP 25 -1.456 -11.743 -7.018 192 HB2 ASP 25 HB2 ASP 25 -2.990 -11.745 -8.966 193 HB3 ASP 25 HB3 ASP 25 -2.353 -13.347 -8.606 194 H VAL 26 H VAL 26 -2.623 -9.761 -7.981 195 HA VAL 26 HA VAL 26 -4.627 -8.767 -6.064 196 HB VAL 26 HB VAL 26 -2.113 -7.878 -5.969 197 HG11 VAL 26 HG11 VAL 26 -3.313 -5.787 -7.736 198 HG12 VAL 26 HG12 VAL 26 -1.619 -6.080 -7.333 199 HG13 VAL 26 HG13 VAL 26 -2.462 -7.159 -8.446 200 HG21 VAL 26 HG21 VAL 26 -3.703 -7.150 -4.391 201 HG22 VAL 26 HG22 VAL 26 -3.092 -5.679 -5.149 202 HG23 VAL 26 HG23 VAL 26 -4.664 -6.325 -5.618 203 H PHE 27 H PHE 27 -6.098 -7.210 -6.858 204 HA PHE 27 HA PHE 27 -6.657 -7.509 -9.685 205 HB2 PHE 27 HB2 PHE 27 -8.313 -7.450 -7.595 206 HB3 PHE 27 HB3 PHE 27 -8.304 -5.727 -7.957 207 HD1 PHE 27 HD1 PHE 27 -9.149 -9.062 -9.250 208 HD2 PHE 27 HD2 PHE 27 -9.393 -4.861 -9.888 209 HE1 PHE 27 HE1 PHE 27 -10.813 -9.432 -11.025 210 HE2 PHE 27 HE2 PHE 27 -11.058 -5.223 -11.663 211 HZ PHE 27 HZ PHE 27 -11.769 -7.511 -12.235 212 H VAL 28 H VAL 28 -5.805 -6.185 -11.135 213 HA VAL 28 HA VAL 28 -5.421 -3.355 -10.407 214 HB VAL 28 HB VAL 28 -3.307 -3.297 -11.173 215 HG11 VAL 28 HG11 VAL 28 -3.633 -6.281 -10.876 216 HG12 VAL 28 HG12 VAL 28 -2.085 -5.435 -10.941 217 HG13 VAL 28 HG13 VAL 28 -3.202 -5.133 -9.609 218 HG21 VAL 28 HG21 VAL 28 -3.827 -3.525 -13.479 219 HG22 VAL 28 HG22 VAL 28 -2.520 -4.660 -13.140 220 HG23 VAL 28 HG23 VAL 28 -4.177 -5.245 -13.299 221 H HIS 29 H HIS 29 -5.903 -1.823 -11.959 222 HA HIS 29 HA HIS 29 -6.836 -2.718 -14.575 223 HB2 HIS 29 HB2 HIS 29 -8.560 -1.663 -12.419 224 HB3 HIS 29 HB3 HIS 29 -8.808 -0.942 -14.006 225 HD1 HIS 29 HD1 HIS 29 -10.454 -2.131 -15.406 226 HD2 HIS 29 HD2 HIS 29 -8.669 -4.666 -12.639 227 HE1 HIS 29 HE1 HIS 29 -11.583 -4.358 -15.707 228 H PHE 30 H PHE 30 -7.157 -0.932 -16.088 229 HA PHE 30 HA PHE 30 -5.034 0.890 -16.050 230 HB2 PHE 30 HB2 PHE 30 -5.885 1.732 -18.083 231 HB3 PHE 30 HB3 PHE 30 -6.378 0.042 -18.059 232 HD1 PHE 30 HD2 PHE 30 -8.701 -0.574 -17.772 233 HD2 PHE 30 HD1 PHE 30 -7.500 3.508 -17.862 234 HE1 PHE 30 HE2 PHE 30 -11.043 0.104 -18.105 235 HE2 PHE 30 HE1 PHE 30 -9.840 4.193 -18.195 236 HZ PHE 30 HZ PHE 30 -11.615 2.490 -18.318 237 H THR 31 H THR 31 -8.108 1.028 -14.568 238 HA THR 31 HA THR 31 -8.193 3.917 -14.381 239 HB THR 31 HB THR 31 -10.278 2.559 -14.548 240 HG1 THR 31 HG1 THR 31 -10.362 4.650 -13.631 241 HG21 THR 31 HG21 THR 31 -10.247 1.896 -11.684 242 HG22 THR 31 HG22 THR 31 -9.145 0.943 -12.676 243 HG23 THR 31 HG23 THR 31 -10.867 0.977 -13.054 244 H ALA 32 H ALA 32 -6.272 1.758 -12.968 245 HA ALA 32 HA ALA 32 -6.222 3.220 -10.409 246 HB1 ALA 32 HB1 ALA 32 -6.197 1.332 -9.221 247 HB2 ALA 32 HB2 ALA 32 -6.754 0.538 -10.695 248 HB3 ALA 32 HB3 ALA 32 -5.034 0.565 -10.304 249 H ILE 33 H ILE 33 -4.404 1.734 -13.007 250 HA ILE 33 HA ILE 33 -1.817 1.902 -12.071 251 HB ILE 33 HB ILE 33 -2.858 2.385 -14.860 252 HG12 ILE 33 HG12 ILE 33 -1.289 -0.012 -14.035 253 HG13 ILE 33 HG13 ILE 33 -2.961 0.100 -13.496 254 HG21 ILE 33 HG21 ILE 33 -0.489 1.899 -15.556 255 HG22 ILE 33 HG22 ILE 33 -0.747 3.464 -14.786 256 HG23 ILE 33 HG23 ILE 33 -0.027 2.140 -13.871 257 HD11 ILE 33 HD11 ILE 33 -3.533 -0.789 -15.439 258 HD12 ILE 33 HD12 ILE 33 -3.051 0.729 -16.197 259 HD13 ILE 33 HD13 ILE 33 -1.901 -0.602 -16.079 260 H GLU 34 H GLU 34 -0.437 3.494 -11.594 261 HA GLU 34 HA GLU 34 -1.260 6.251 -12.218 262 HB2 GLU 34 HB2 GLU 34 0.541 5.271 -9.996 263 HB3 GLU 34 HB3 GLU 34 0.065 6.940 -10.274 264 HG2 GLU 34 HG2 GLU 34 -2.119 4.979 -9.960 265 HG3 GLU 34 HG3 GLU 34 -1.157 5.336 -8.527 266 H ALA 35 H ALA 35 -0.275 6.307 -14.263 267 HA ALA 35 HA ALA 35 2.663 6.472 -14.162 268 HB1 ALA 35 HB1 ALA 35 1.912 5.773 -16.794 269 HB2 ALA 35 HB2 ALA 35 2.849 4.827 -15.637 270 HB3 ALA 35 HB3 ALA 35 1.095 4.657 -15.700 271 H ASP 36 H ASP 36 3.492 7.656 -16.200 272 HA ASP 36 HA ASP 36 1.879 10.091 -16.490 273 HB2 ASP 36 HB2 ASP 36 4.800 9.516 -16.500 274 HB3 ASP 36 HB3 ASP 36 4.231 10.844 -17.508 275 H GLY 37 H GLY 37 0.527 8.926 -18.072 276 HA2 GLY 37 HA2 GLY 37 0.227 9.528 -20.476 277 HA3 GLY 37 HA3 GLY 37 1.823 8.837 -20.727 278 H PHE 38 H PHE 38 -0.992 8.188 -21.707 279 HA PHE 38 HA PHE 38 -1.901 5.779 -20.689 280 HB2 PHE 38 HB2 PHE 38 -1.941 6.796 -23.535 281 HB3 PHE 38 HB3 PHE 38 -2.842 5.389 -22.982 282 HD1 PHE 38 HD2 PHE 38 -4.408 5.810 -20.924 283 HD2 PHE 38 HD1 PHE 38 -2.967 8.853 -23.528 284 HE1 PHE 38 HE2 PHE 38 -6.269 7.269 -20.244 285 HE2 PHE 38 HE1 PHE 38 -4.825 10.317 -22.851 286 HZ PHE 38 HZ PHE 38 -6.478 9.526 -21.207 287 H ARG 39 H ARG 39 -0.718 4.023 -20.320 288 HA ARG 39 HA ARG 39 0.695 2.776 -22.521 289 HB2 ARG 39 HB2 ARG 39 2.207 4.401 -21.004 290 HB3 ARG 39 HB3 ARG 39 2.305 2.937 -20.035 291 HG2 ARG 39 HG2 ARG 39 3.486 1.795 -21.623 292 HG3 ARG 39 HG3 ARG 39 2.813 2.736 -22.956 293 HD2 ARG 39 HD2 ARG 39 4.259 4.523 -22.585 294 HD3 ARG 39 HD3 ARG 39 4.613 4.015 -20.934 295 HE ARG 39 HE ARG 39 5.586 1.987 -22.452 296 HH11 ARG 39 HH11 ARG 39 6.046 5.438 -22.440 297 HH12 ARG 39 HH12 ARG 39 7.670 5.355 -23.041 298 HH21 ARG 39 HH21 ARG 39 7.722 1.864 -23.243 299 HH22 ARG 39 HH22 ARG 39 8.622 3.322 -23.498 300 H THR 40 H THR 40 1.826 0.675 -21.536 301 HA THR 40 HA THR 40 -0.005 -0.529 -19.574 302 HB THR 40 HB THR 40 -0.101 -2.598 -20.856 303 HG1 THR 40 HG1 THR 40 0.979 -2.851 -22.733 304 HG21 THR 40 HG21 THR 40 -1.608 -1.907 -22.548 305 HG22 THR 40 HG22 THR 40 -0.806 -0.347 -22.728 306 HG23 THR 40 HG23 THR 40 -1.733 -0.699 -21.270 307 H LEU 41 H LEU 41 0.943 -2.920 -19.153 308 HA LEU 41 HA LEU 41 3.768 -2.501 -18.441 309 HB2 LEU 41 HB2 LEU 41 1.600 -4.124 -17.133 310 HB3 LEU 41 HB3 LEU 41 3.304 -4.291 -16.715 311 HG LEU 41 HG LEU 41 2.319 -2.908 -15.065 312 HD11 LEU 41 HD11 LEU 41 3.526 -0.839 -16.843 313 HD12 LEU 41 HD12 LEU 41 4.512 -2.185 -16.274 314 HD13 LEU 41 HD13 LEU 41 3.743 -1.103 -15.113 315 HD21 LEU 41 HD21 LEU 41 1.325 -1.004 -17.162 316 HD22 LEU 41 HD22 LEU 41 0.898 -1.086 -15.453 317 HD23 LEU 41 HD23 LEU 41 0.333 -2.334 -16.565 318 H ASN 42 H ASN 42 4.856 -4.773 -18.029 319 HA ASN 42 HA ASN 42 4.183 -6.561 -20.266 320 HB2 ASN 42 HB2 ASN 42 7.035 -5.986 -19.497 321 HB3 ASN 42 HB3 ASN 42 6.420 -6.706 -20.982 322 HD21 ASN 42 HD21 ASN 42 5.750 -5.413 -22.631 323 HD22 ASN 42 HD22 ASN 42 5.937 -3.696 -22.633 324 H GLU 43 H GLU 43 4.123 -8.666 -19.764 325 HA GLU 43 HA GLU 43 4.142 -9.583 -17.150 326 HB2 GLU 43 HB2 GLU 43 3.055 -10.823 -18.926 327 HB3 GLU 43 HB3 GLU 43 4.600 -11.119 -19.711 328 HG2 GLU 43 HG2 GLU 43 5.287 -12.372 -17.643 329 HG3 GLU 43 HG3 GLU 43 3.613 -12.244 -17.107 330 H GLY 44 H GLY 44 5.682 -10.128 -15.742 331 HA2 GLY 44 HA2 GLY 44 7.735 -11.211 -15.163 332 HA3 GLY 44 HA3 GLY 44 8.355 -10.813 -16.758 333 H GLU 45 H GLU 45 7.049 -8.038 -16.204 334 HA GLU 45 HA GLU 45 9.481 -6.877 -15.147 335 HB2 GLU 45 HB2 GLU 45 8.241 -5.941 -17.126 336 HB3 GLU 45 HB3 GLU 45 6.961 -5.460 -16.021 337 HG2 GLU 45 HG2 GLU 45 8.098 -3.687 -15.275 338 HG3 GLU 45 HG3 GLU 45 9.627 -4.563 -15.224 339 H HIS 46 H HIS 46 9.464 -5.266 -13.440 340 HA HIS 46 HA HIS 46 7.734 -6.092 -11.248 341 HB2 HIS 46 HB2 HIS 46 9.802 -3.980 -10.887 342 HB3 HIS 46 HB3 HIS 46 9.346 -5.302 -9.816 343 HD1 HIS 46 HD1 HIS 46 10.460 -7.615 -10.249 344 HD2 HIS 46 HD2 HIS 46 11.843 -4.551 -12.690 345 HE1 HIS 46 HE1 HIS 46 12.563 -8.497 -11.309 346 H VAL 47 H VAL 47 6.280 -4.794 -10.211 347 HA VAL 47 HA VAL 47 6.061 -1.984 -10.854 348 HB VAL 47 HB VAL 47 3.752 -2.092 -11.648 349 HG11 VAL 47 HG11 VAL 47 4.190 -2.860 -13.883 350 HG12 VAL 47 HG12 VAL 47 5.653 -2.104 -13.249 351 HG13 VAL 47 HG13 VAL 47 5.528 -3.862 -13.322 352 HG21 VAL 47 HG21 VAL 47 2.660 -4.151 -12.191 353 HG22 VAL 47 HG22 VAL 47 4.103 -5.083 -11.789 354 HG23 VAL 47 HG23 VAL 47 3.208 -4.251 -10.517 355 H GLU 48 H GLU 48 4.965 -0.832 -9.311 356 HA GLU 48 HA GLU 48 4.356 -2.262 -6.862 357 HB2 GLU 48 HB2 GLU 48 5.689 -0.134 -6.906 358 HB3 GLU 48 HB3 GLU 48 4.222 0.710 -7.380 359 HG2 GLU 48 HG2 GLU 48 3.227 0.421 -5.320 360 HG3 GLU 48 HG3 GLU 48 4.243 -0.959 -4.908 361 H PHE 49 H PHE 49 2.387 -1.737 -5.624 362 HA PHE 49 HA PHE 49 0.103 -0.674 -6.974 363 HB2 PHE 49 HB2 PHE 49 -1.221 -2.735 -7.054 364 HB3 PHE 49 HB3 PHE 49 0.213 -2.873 -8.067 365 HD1 PHE 49 HD1 PHE 49 2.147 -4.218 -7.281 366 HD2 PHE 49 HD2 PHE 49 -1.580 -4.184 -5.226 367 HE1 PHE 49 HE1 PHE 49 2.780 -6.286 -6.107 368 HE2 PHE 49 HE2 PHE 49 -0.953 -6.251 -4.048 369 HZ PHE 49 HZ PHE 49 1.229 -7.304 -4.487 370 H GLU 50 H GLU 50 -1.271 0.107 -5.503 371 HA GLU 50 HA GLU 50 -0.844 -0.632 -2.704 372 HB2 GLU 50 HB2 GLU 50 -1.875 1.774 -4.111 373 HB3 GLU 50 HB3 GLU 50 -2.543 1.428 -2.523 374 HG2 GLU 50 HG2 GLU 50 -0.645 2.979 -2.440 375 HG3 GLU 50 HG3 GLU 50 -0.353 1.498 -1.531 376 H VAL 51 H VAL 51 -2.019 -2.423 -2.271 377 HA VAL 51 HA VAL 51 -4.549 -3.019 -3.367 378 HB VAL 51 HB VAL 51 -4.710 -4.764 -1.677 379 HG11 VAL 51 HG11 VAL 51 -3.256 -6.002 -2.819 380 HG12 VAL 51 HG12 VAL 51 -2.711 -4.513 -3.594 381 HG13 VAL 51 HG13 VAL 51 -1.883 -5.116 -2.158 382 HG21 VAL 51 HG21 VAL 51 -2.823 -4.983 -0.017 383 HG22 VAL 51 HG22 VAL 51 -2.393 -3.319 -0.411 384 HG23 VAL 51 HG23 VAL 51 -3.968 -3.678 0.296 385 H GLU 52 H GLU 52 -6.525 -2.333 -2.860 386 HA GLU 52 HA GLU 52 -6.895 -0.921 -0.300 387 HB2 GLU 52 HB2 GLU 52 -7.509 -0.122 -3.040 388 HB3 GLU 52 HB3 GLU 52 -8.896 0.008 -1.968 389 HG2 GLU 52 HG2 GLU 52 -7.385 2.048 -2.236 390 HG3 GLU 52 HG3 GLU 52 -7.859 1.575 -0.605 391 HA PRO 53 HA PRO 53 -10.214 -3.606 0.705 392 HB2 PRO 53 HB2 PRO 53 -11.987 -1.921 1.883 393 HB3 PRO 53 HB3 PRO 53 -10.469 -2.406 2.647 394 HG2 PRO 53 HG2 PRO 53 -11.124 0.110 1.162 395 HG3 PRO 53 HG3 PRO 53 -10.215 -0.094 2.672 396 HD2 PRO 53 HD2 PRO 53 -9.002 0.286 0.281 397 HD3 PRO 53 HD3 PRO 53 -8.280 -0.695 1.573 398 H GLY 54 H GLY 54 -12.374 -0.902 0.348 399 HA2 GLY 54 HA2 GLY 54 -13.990 -2.382 -1.525 400 HA3 GLY 54 HA3 GLY 54 -14.356 -0.802 -0.849 401 H ARG 55 H ARG 55 -11.888 -2.229 -2.997 402 HA ARG 55 HA ARG 55 -12.427 -0.047 -4.895 403 HB2 ARG 55 HB2 ARG 55 -9.866 -0.834 -3.636 404 HB3 ARG 55 HB3 ARG 55 -9.807 -0.497 -5.361 405 HG2 ARG 55 HG2 ARG 55 -10.908 1.388 -3.289 406 HG3 ARG 55 HG3 ARG 55 -9.274 1.459 -3.952 407 HD2 ARG 55 HD2 ARG 55 -9.973 2.478 -5.810 408 HD3 ARG 55 HD3 ARG 55 -11.294 1.331 -6.029 409 HE ARG 55 HE ARG 55 -11.887 3.157 -3.947 410 HH11 ARG 55 HH11 ARG 55 -11.691 2.905 -7.413 411 HH12 ARG 55 HH12 ARG 55 -12.864 4.148 -7.701 412 HH21 ARG 55 HH21 ARG 55 -13.432 4.795 -4.312 413 HH22 ARG 55 HH22 ARG 55 -13.853 5.223 -5.936 414 H GLY 56 H GLY 56 -11.111 -3.295 -4.396 415 HA2 GLY 56 HA2 GLY 56 -11.553 -3.842 -7.262 416 HA3 GLY 56 HA3 GLY 56 -10.422 -4.717 -6.240 417 H GLY 57 H GLY 57 -12.610 -5.729 -7.919 418 HA2 GLY 57 HA2 GLY 57 -14.904 -6.457 -6.595 419 HA3 GLY 57 HA3 GLY 57 -14.099 -7.477 -7.778 420 H LYS 58 H LYS 58 -11.941 -8.443 -6.703 421 HA LYS 58 HA LYS 58 -12.869 -10.278 -4.751 422 HB2 LYS 58 HB2 LYS 58 -9.997 -9.736 -5.514 423 HB3 LYS 58 HB3 LYS 58 -10.648 -11.209 -4.806 424 HG2 LYS 58 HG2 LYS 58 -11.351 -10.148 -7.536 425 HG3 LYS 58 HG3 LYS 58 -10.177 -11.425 -7.209 426 HD2 LYS 58 HD2 LYS 58 -11.778 -12.969 -6.963 427 HD3 LYS 58 HD3 LYS 58 -12.754 -11.910 -5.943 428 HE2 LYS 58 HE2 LYS 58 -13.466 -10.719 -8.035 429 HE3 LYS 58 HE3 LYS 58 -12.656 -11.987 -8.954 430 HZ1 LYS 58 HZ1 LYS 58 -14.233 -13.349 -7.202 431 HZ2 LYS 58 HZ2 LYS 58 -14.581 -13.066 -8.833 432 HZ3 LYS 58 HZ3 LYS 58 -15.201 -12.034 -7.645 433 H GLY 59 H GLY 59 -11.716 -7.122 -4.486 434 HA2 GLY 59 HA2 GLY 59 -12.028 -6.226 -2.172 435 HA3 GLY 59 HA3 GLY 59 -11.012 -7.561 -1.649 436 HA PRO 60 HA PRO 60 -7.431 -5.076 -2.063 437 HB2 PRO 60 HB2 PRO 60 -5.583 -6.871 -2.917 438 HB3 PRO 60 HB3 PRO 60 -6.222 -6.861 -1.269 439 HG2 PRO 60 HG2 PRO 60 -6.997 -8.586 -3.590 440 HG3 PRO 60 HG3 PRO 60 -6.747 -9.038 -1.894 441 HD2 PRO 60 HD2 PRO 60 -9.210 -8.659 -2.953 442 HD3 PRO 60 HD3 PRO 60 -8.833 -8.294 -1.257 443 H GLN 61 H GLN 61 -7.415 -3.563 -3.620 444 HA GLN 61 HA GLN 61 -6.954 -4.438 -6.395 445 HB2 GLN 61 HB2 GLN 61 -9.083 -2.979 -5.465 446 HB3 GLN 61 HB3 GLN 61 -7.991 -1.718 -6.022 447 HG2 GLN 61 HG2 GLN 61 -7.837 -2.990 -8.197 448 HG3 GLN 61 HG3 GLN 61 -9.178 -3.971 -7.609 449 HE21 GLN 61 HE21 GLN 61 -10.559 -3.289 -9.228 450 HE22 GLN 61 HE22 GLN 61 -11.225 -1.696 -9.271 451 H ALA 62 H ALA 62 -5.751 -2.870 -7.744 452 HA ALA 62 HA ALA 62 -3.432 -1.912 -6.283 453 HB1 ALA 62 HB1 ALA 62 -4.049 -2.348 -9.180 454 HB2 ALA 62 HB2 ALA 62 -2.645 -1.401 -8.687 455 HB3 ALA 62 HB3 ALA 62 -2.794 -3.084 -8.182 456 H LYS 63 H LYS 63 -5.216 -0.303 -5.379 457 HA LYS 63 HA LYS 63 -6.233 1.837 -6.705 458 HB2 LYS 63 HB2 LYS 63 -5.974 1.196 -4.089 459 HB3 LYS 63 HB3 LYS 63 -4.845 2.542 -4.189 460 HG2 LYS 63 HG2 LYS 63 -7.778 2.567 -4.854 461 HG3 LYS 63 HG3 LYS 63 -6.968 3.392 -3.521 462 HD2 LYS 63 HD2 LYS 63 -7.030 5.155 -4.930 463 HD3 LYS 63 HD3 LYS 63 -5.592 4.394 -5.614 464 HE2 LYS 63 HE2 LYS 63 -6.728 3.589 -7.446 465 HE3 LYS 63 HE3 LYS 63 -8.280 3.575 -6.611 466 HZ1 LYS 63 HZ1 LYS 63 -8.522 5.868 -6.879 467 HZ2 LYS 63 HZ2 LYS 63 -7.932 5.340 -8.374 468 HZ3 LYS 63 HZ3 LYS 63 -6.894 6.101 -7.276 469 H LYS 64 H LYS 64 -2.888 1.465 -5.605 470 HA LYS 64 HA LYS 64 -2.147 3.687 -7.389 471 HB2 LYS 64 HB2 LYS 64 -1.922 3.696 -4.612 472 HB3 LYS 64 HB3 LYS 64 -0.299 3.319 -5.176 473 HG2 LYS 64 HG2 LYS 64 -0.447 5.674 -4.935 474 HG3 LYS 64 HG3 LYS 64 -0.437 5.321 -6.665 475 HD2 LYS 64 HD2 LYS 64 -2.102 6.997 -6.240 476 HD3 LYS 64 HD3 LYS 64 -2.922 5.488 -6.648 477 HE2 LYS 64 HE2 LYS 64 -3.502 5.085 -4.392 478 HE3 LYS 64 HE3 LYS 64 -2.399 6.331 -3.808 479 HZ1 LYS 64 HZ1 LYS 64 -4.584 7.099 -5.611 480 HZ2 LYS 64 HZ2 LYS 64 -3.824 8.001 -4.399 481 HZ3 LYS 64 HZ3 LYS 64 -4.938 6.797 -3.985 482 H VAL 65 H VAL 65 -1.367 2.516 -9.074 483 HA VAL 65 HA VAL 65 0.633 0.439 -8.516 484 HB VAL 65 HB VAL 65 -1.445 0.697 -10.491 485 HG11 VAL 65 HG11 VAL 65 -0.143 -0.049 -12.453 486 HG12 VAL 65 HG12 VAL 65 0.251 1.599 -11.959 487 HG13 VAL 65 HG13 VAL 65 1.343 0.272 -11.560 488 HG21 VAL 65 HG21 VAL 65 -0.691 -1.250 -8.963 489 HG22 VAL 65 HG22 VAL 65 -1.273 -1.617 -10.587 490 HG23 VAL 65 HG23 VAL 65 0.459 -1.602 -10.254 491 H ARG 66 H ARG 66 2.678 0.504 -9.402 492 HA ARG 66 HA ARG 66 3.419 2.933 -10.882 493 HB2 ARG 66 HB2 ARG 66 5.186 1.755 -8.748 494 HB3 ARG 66 HB3 ARG 66 5.324 3.321 -9.536 495 HG2 ARG 66 HG2 ARG 66 3.200 3.994 -8.429 496 HG3 ARG 66 HG3 ARG 66 3.239 2.468 -7.542 497 HD2 ARG 66 HD2 ARG 66 5.507 3.130 -6.699 498 HD3 ARG 66 HD3 ARG 66 5.243 4.715 -7.427 499 HE ARG 66 HE ARG 66 4.130 3.738 -4.984 500 HH11 ARG 66 HH11 ARG 66 3.573 5.869 -7.680 501 HH12 ARG 66 HH12 ARG 66 2.511 6.917 -6.799 502 HH21 ARG 66 HH21 ARG 66 2.734 5.111 -3.814 503 HH22 ARG 66 HH22 ARG 66 2.035 6.486 -4.600 504 H ARG 67 H ARG 67 5.273 2.732 -12.227 505 HA ARG 67 HA ARG 67 5.656 0.012 -13.195 506 HB2 ARG 67 HB2 ARG 67 5.154 1.695 -14.860 507 HB3 ARG 67 HB3 ARG 67 6.497 2.689 -14.314 508 HG2 ARG 67 HG2 ARG 67 8.086 1.288 -15.256 509 HG3 ARG 67 HG3 ARG 67 6.975 -0.082 -15.329 510 HD2 ARG 67 HD2 ARG 67 5.744 0.931 -17.115 511 HD3 ARG 67 HD3 ARG 67 6.650 2.435 -16.953 512 HE ARG 67 HE ARG 67 8.480 0.405 -17.480 513 HH11 ARG 67 HH11 ARG 67 5.812 1.993 -19.056 514 HH12 ARG 67 HH12 ARG 67 6.437 1.743 -20.652 515 HH21 ARG 67 HH21 ARG 67 9.312 0.069 -19.577 516 HH22 ARG 67 HH22 ARG 67 8.427 0.647 -20.948 517 H ILE 68 H ILE 68 7.470 -1.146 -12.950 518 HA ILE 68 HA ILE 68 9.919 0.203 -12.069 519 HB ILE 68 HB ILE 68 8.757 -2.234 -10.715 520 HG12 ILE 68 HG12 ILE 68 8.042 0.341 -10.268 521 HG13 ILE 68 HG13 ILE 68 8.044 -0.902 -9.021 522 HG21 ILE 68 HG21 ILE 68 11.377 -0.799 -10.353 523 HG22 ILE 68 HG22 ILE 68 10.716 -1.928 -9.173 524 HG23 ILE 68 HG23 ILE 68 11.119 -2.486 -10.796 525 HD11 ILE 68 HD11 ILE 68 10.115 -0.161 -8.163 526 HD12 ILE 68 HD12 ILE 68 10.398 0.882 -9.557 527 HD13 ILE 68 HD13 ILE 68 9.122 1.275 -8.405 Start of MODEL 4 1 H1 MET 1 H MET 1 0.160 0.027 0.318 2 HA MET 1 HA MET 1 0.981 -0.422 -2.210 3 HB2 MET 1 HB2 MET 1 2.879 1.169 -1.762 4 HB3 MET 1 HB3 MET 1 1.294 1.740 -1.256 5 HG2 MET 1 HG2 MET 1 1.895 0.871 1.055 6 HG3 MET 1 HG3 MET 1 3.544 0.732 0.449 7 HE1 MET 1 HE1 MET 1 1.353 2.372 2.402 8 HE2 MET 1 HE2 MET 1 2.820 3.090 3.066 9 HE3 MET 1 HE3 MET 1 1.583 4.120 2.345 10 H LYS 2 H LYS 2 1.840 -2.295 -2.898 11 HA LYS 2 HA LYS 2 4.424 -3.095 -1.742 12 HB2 LYS 2 HB2 LYS 2 2.128 -4.893 -2.524 13 HB3 LYS 2 HB3 LYS 2 3.761 -5.478 -2.232 14 HG2 LYS 2 HG2 LYS 2 2.201 -3.934 -0.182 15 HG3 LYS 2 HG3 LYS 2 2.131 -5.693 -0.320 16 HD2 LYS 2 HD2 LYS 2 4.614 -5.737 -0.064 17 HD3 LYS 2 HD3 LYS 2 4.561 -4.001 0.256 18 HE2 LYS 2 HE2 LYS 2 2.875 -4.597 2.097 19 HE3 LYS 2 HE3 LYS 2 3.445 -6.253 1.897 20 HZ1 LYS 2 HZ1 LYS 2 4.627 -4.176 3.356 21 HZ2 LYS 2 HZ2 LYS 2 5.678 -4.585 2.095 22 HZ3 LYS 2 HZ3 LYS 2 5.161 -5.772 3.184 23 H LYS 3 H LYS 3 5.847 -4.208 -3.201 24 HA LYS 3 HA LYS 3 5.277 -3.597 -6.027 25 HB2 LYS 3 HB2 LYS 3 8.006 -3.828 -4.753 26 HB3 LYS 3 HB3 LYS 3 7.632 -3.251 -6.372 27 HG2 LYS 3 HG2 LYS 3 7.397 -1.180 -5.633 28 HG3 LYS 3 HG3 LYS 3 6.203 -1.694 -4.438 29 HD2 LYS 3 HD2 LYS 3 7.894 -0.761 -3.138 30 HD3 LYS 3 HD3 LYS 3 8.243 -2.491 -3.073 31 HE2 LYS 3 HE2 LYS 3 10.313 -1.929 -3.699 32 HE3 LYS 3 HE3 LYS 3 9.623 -1.679 -5.302 33 HZ1 LYS 3 HZ1 LYS 3 9.866 0.521 -5.140 34 HZ2 LYS 3 HZ2 LYS 3 10.943 0.190 -3.879 35 HZ3 LYS 3 HZ3 LYS 3 9.333 0.578 -3.535 36 H GLY 4 H GLY 4 5.480 -5.180 -7.526 37 HA2 GLY 4 HA2 GLY 4 6.980 -7.577 -7.055 38 HA3 GLY 4 HA3 GLY 4 5.249 -7.839 -6.904 39 H THR 5 H THR 5 6.525 -9.251 -8.788 40 HA THR 5 HA THR 5 6.571 -7.923 -11.329 41 HB THR 5 HB THR 5 6.696 -10.347 -12.194 42 HG1 THR 5 HG1 THR 5 5.852 -11.273 -10.222 43 HG21 THR 5 HG21 THR 5 8.999 -10.369 -11.904 44 HG22 THR 5 HG22 THR 5 8.901 -9.720 -10.267 45 HG23 THR 5 HG23 THR 5 8.607 -8.669 -11.651 46 H VAL 6 H VAL 6 5.225 -8.535 -13.159 47 HA VAL 6 HA VAL 6 2.442 -8.952 -12.325 48 HB VAL 6 HB VAL 6 3.022 -6.897 -13.633 49 HG11 VAL 6 HG11 VAL 6 4.016 -6.950 -15.642 50 HG12 VAL 6 HG12 VAL 6 4.511 -8.579 -15.180 51 HG13 VAL 6 HG13 VAL 6 3.076 -8.341 -16.178 52 HG21 VAL 6 HG21 VAL 6 0.752 -7.511 -13.630 53 HG22 VAL 6 HG22 VAL 6 1.149 -7.240 -15.327 54 HG23 VAL 6 HG23 VAL 6 1.036 -8.884 -14.700 55 H LYS 7 H LYS 7 1.276 -10.664 -12.979 56 HA LYS 7 HA LYS 7 2.649 -12.829 -14.304 57 HB2 LYS 7 HB2 LYS 7 0.645 -12.687 -12.415 58 HB3 LYS 7 HB3 LYS 7 -0.227 -13.161 -13.867 59 HG2 LYS 7 HG2 LYS 7 0.552 -15.237 -13.762 60 HG3 LYS 7 HG3 LYS 7 2.212 -14.683 -13.537 61 HD2 LYS 7 HD2 LYS 7 1.581 -15.969 -11.615 62 HD3 LYS 7 HD3 LYS 7 1.678 -14.272 -11.137 63 HE2 LYS 7 HE2 LYS 7 -0.300 -14.979 -10.151 64 HE3 LYS 7 HE3 LYS 7 -0.853 -14.224 -11.645 65 HZ1 LYS 7 HZ1 LYS 7 -0.751 -16.556 -12.609 66 HZ2 LYS 7 HZ2 LYS 7 -2.006 -16.230 -11.523 67 HZ3 LYS 7 HZ3 LYS 7 -0.650 -17.104 -11.012 68 H TRP 8 H TRP 8 0.065 -10.559 -15.046 69 HA TRP 8 HA TRP 8 0.467 -10.786 -17.836 70 HB2 TRP 8 HB2 TRP 8 -1.746 -11.751 -18.436 71 HB3 TRP 8 HB3 TRP 8 -0.689 -12.902 -17.624 72 HD1 TRP 8 HD1 TRP 8 -3.594 -10.509 -16.658 73 HE1 TRP 8 HE1 TRP 8 -4.978 -11.656 -14.815 74 HE3 TRP 8 HE3 TRP 8 -0.793 -14.743 -16.056 75 HZ2 TRP 8 HZ2 TRP 8 -4.893 -14.039 -13.306 76 HZ3 TRP 8 HZ3 TRP 8 -1.513 -16.406 -14.392 77 HH2 TRP 8 HH2 TRP 8 -3.520 -16.060 -13.046 78 H PHE 9 H PHE 9 -0.565 -9.159 -18.970 79 HA PHE 9 HA PHE 9 -2.508 -7.508 -17.529 80 HB2 PHE 9 HB2 PHE 9 -0.249 -6.540 -17.144 81 HB3 PHE 9 HB3 PHE 9 -0.053 -6.375 -18.886 82 HD1 PHE 9 HD2 PHE 9 -1.857 -5.150 -15.934 83 HD2 PHE 9 HD1 PHE 9 -1.147 -4.630 -20.098 84 HE1 PHE 9 HE2 PHE 9 -2.938 -2.942 -15.839 85 HE2 PHE 9 HE1 PHE 9 -2.227 -2.421 -20.010 86 HZ PHE 9 HZ PHE 9 -3.124 -1.574 -17.878 87 H ASN 10 H ASN 10 -4.230 -7.600 -18.818 88 HA ASN 10 HA ASN 10 -3.919 -7.733 -21.704 89 HB2 ASN 10 HB2 ASN 10 -5.586 -9.142 -20.442 90 HB3 ASN 10 HB3 ASN 10 -6.487 -7.665 -20.110 91 HD21 ASN 10 HD21 ASN 10 -8.279 -7.961 -21.276 92 HD22 ASN 10 HD22 ASN 10 -8.316 -8.218 -22.984 93 H ALA 11 H ALA 11 -3.787 -5.957 -22.890 94 HA ALA 11 HA ALA 11 -4.623 -3.397 -21.821 95 HB1 ALA 11 HB1 ALA 11 -3.735 -2.632 -24.134 96 HB2 ALA 11 HB2 ALA 11 -2.594 -3.203 -22.916 97 HB3 ALA 11 HB3 ALA 11 -3.085 -4.269 -24.232 98 H GLU 12 H GLU 12 -5.809 -5.793 -24.009 99 HA GLU 12 HA GLU 12 -7.470 -4.251 -25.645 100 HB2 GLU 12 HB2 GLU 12 -7.380 -7.097 -24.800 101 HB3 GLU 12 HB3 GLU 12 -8.888 -6.520 -25.496 102 HG2 GLU 12 HG2 GLU 12 -7.438 -7.533 -27.173 103 HG3 GLU 12 HG3 GLU 12 -7.733 -5.827 -27.505 104 H LYS 13 H LYS 13 -8.022 -5.633 -22.443 105 HA LYS 13 HA LYS 13 -10.670 -4.376 -22.354 106 HB2 LYS 13 HB2 LYS 13 -9.352 -6.469 -20.627 107 HB3 LYS 13 HB3 LYS 13 -10.875 -5.704 -20.196 108 HG2 LYS 13 HG2 LYS 13 -10.678 -6.900 -22.897 109 HG3 LYS 13 HG3 LYS 13 -10.749 -8.001 -21.519 110 HD2 LYS 13 HD2 LYS 13 -12.862 -7.283 -20.892 111 HD3 LYS 13 HD3 LYS 13 -12.698 -5.741 -21.736 112 HE2 LYS 13 HE2 LYS 13 -14.226 -7.047 -22.994 113 HE3 LYS 13 HE3 LYS 13 -12.706 -7.046 -23.888 114 HZ1 LYS 13 HZ1 LYS 13 -13.850 -9.251 -23.684 115 HZ2 LYS 13 HZ2 LYS 13 -13.477 -9.226 -22.035 116 HZ3 LYS 13 HZ3 LYS 13 -12.234 -9.231 -23.183 117 H GLY 14 H GLY 14 -7.552 -4.440 -20.700 118 HA2 GLY 14 HA2 GLY 14 -6.619 -2.447 -19.761 119 HA3 GLY 14 HA3 GLY 14 -8.250 -1.861 -19.473 120 H TYR 15 H TYR 15 -6.735 -4.969 -18.655 121 HA TYR 15 HA TYR 15 -6.857 -4.296 -15.820 122 HB2 TYR 15 HB2 TYR 15 -8.219 -6.129 -15.192 123 HB3 TYR 15 HB3 TYR 15 -9.058 -5.360 -16.535 124 HD1 TYR 15 HD2 TYR 15 -7.101 -8.296 -15.498 125 HD2 TYR 15 HD1 TYR 15 -9.340 -6.496 -18.636 126 HE1 TYR 15 HE2 TYR 15 -7.154 -10.448 -16.686 127 HE2 TYR 15 HE1 TYR 15 -9.401 -8.644 -19.833 128 HH TYR 15 HH TYR 15 -7.427 -11.111 -19.284 129 H GLY 16 H GLY 16 -5.964 -6.207 -14.493 130 HA2 GLY 16 HA2 GLY 16 -4.308 -8.144 -15.696 131 HA3 GLY 16 HA3 GLY 16 -3.341 -6.723 -15.326 132 H PHE 17 H PHE 17 -2.433 -8.770 -14.072 133 HA PHE 17 HA PHE 17 -3.373 -8.441 -11.314 134 HB2 PHE 17 HB2 PHE 17 -3.012 -11.025 -12.804 135 HB3 PHE 17 HB3 PHE 17 -2.807 -10.966 -11.056 136 HD1 PHE 17 HD1 PHE 17 -5.232 -9.984 -13.708 137 HD2 PHE 17 HD2 PHE 17 -4.640 -11.303 -9.705 138 HE1 PHE 17 HE1 PHE 17 -7.666 -10.198 -13.422 139 HE2 PHE 17 HE2 PHE 17 -7.073 -11.520 -9.413 140 HZ PHE 17 HZ PHE 17 -8.590 -10.968 -11.273 141 H ILE 18 H ILE 18 -1.785 -8.440 -9.773 142 HA ILE 18 HA ILE 18 0.980 -8.756 -10.744 143 HB ILE 18 HB ILE 18 -0.004 -6.803 -8.661 144 HG12 ILE 18 HG12 ILE 18 1.294 -6.002 -11.232 145 HG13 ILE 18 HG13 ILE 18 -0.406 -6.458 -11.251 146 HG21 ILE 18 HG21 ILE 18 2.354 -5.921 -8.879 147 HG22 ILE 18 HG22 ILE 18 2.181 -7.469 -8.053 148 HG23 ILE 18 HG23 ILE 18 2.740 -7.419 -9.725 149 HD11 ILE 18 HD11 ILE 18 -0.658 -4.246 -10.892 150 HD12 ILE 18 HD12 ILE 18 -0.456 -4.744 -9.212 151 HD13 ILE 18 HD13 ILE 18 0.912 -4.081 -10.105 152 H GLN 19 H GLN 19 2.519 -9.578 -9.271 153 HA GLN 19 HA GLN 19 1.366 -10.936 -6.925 154 HB2 GLN 19 HB2 GLN 19 3.454 -11.968 -8.849 155 HB3 GLN 19 HB3 GLN 19 3.034 -12.752 -7.332 156 HG2 GLN 19 HG2 GLN 19 1.912 -13.850 -9.148 157 HG3 GLN 19 HG3 GLN 19 0.728 -13.025 -8.135 158 HE21 GLN 19 HE21 GLN 19 -0.847 -12.689 -9.599 159 HE22 GLN 19 HE22 GLN 19 -0.668 -11.726 -11.022 160 H GLN 20 H GLN 20 2.193 -10.205 -5.092 161 HA GLN 20 HA GLN 20 4.850 -8.961 -5.127 162 HB2 GLN 20 HB2 GLN 20 4.204 -7.883 -3.041 163 HB3 GLN 20 HB3 GLN 20 2.998 -7.581 -4.285 164 HG2 GLN 20 HG2 GLN 20 1.398 -8.790 -3.229 165 HG3 GLN 20 HG3 GLN 20 2.557 -9.907 -2.511 166 HE21 GLN 20 HE21 GLN 20 4.229 -8.327 -1.144 167 HE22 GLN 20 HE22 GLN 20 3.389 -7.461 0.093 168 H GLU 21 H GLU 21 5.496 -9.116 -2.454 169 HA GLU 21 HA GLU 21 6.609 -11.724 -2.297 170 HB2 GLU 21 HB2 GLU 21 6.485 -9.461 -0.302 171 HB3 GLU 21 HB3 GLU 21 7.353 -10.961 -0.009 172 HG2 GLU 21 HG2 GLU 21 8.543 -10.409 -2.246 173 HG3 GLU 21 HG3 GLU 21 7.962 -8.773 -1.943 174 H GLU 22 H GLU 22 3.730 -10.250 -1.032 175 HA GLU 22 HA GLU 22 3.099 -11.793 1.142 176 HB2 GLU 22 HB2 GLU 22 1.495 -10.445 -0.966 177 HB3 GLU 22 HB3 GLU 22 0.658 -11.602 0.060 178 HG2 GLU 22 HG2 GLU 22 1.481 -10.351 2.041 179 HG3 GLU 22 HG3 GLU 22 2.149 -9.144 0.944 180 H GLY 23 H GLY 23 1.700 -12.515 -2.056 181 HA2 GLY 23 HA2 GLY 23 2.551 -15.054 -2.498 182 HA3 GLY 23 HA3 GLY 23 1.285 -15.268 -1.298 183 HA PRO 24 HA PRO 24 -1.882 -15.046 -4.317 184 HB2 PRO 24 HB2 PRO 24 -3.682 -13.264 -3.339 185 HB3 PRO 24 HB3 PRO 24 -3.439 -14.868 -2.637 186 HG2 PRO 24 HG2 PRO 24 -2.360 -12.224 -1.738 187 HG3 PRO 24 HG3 PRO 24 -3.040 -13.543 -0.768 188 HD2 PRO 24 HD2 PRO 24 -0.374 -13.143 -1.015 189 HD3 PRO 24 HD3 PRO 24 -1.083 -14.758 -0.817 190 H ASP 25 H ASP 25 -2.998 -13.739 -5.931 191 HA ASP 25 HA ASP 25 -1.298 -11.652 -6.945 192 HB2 ASP 25 HB2 ASP 25 -3.966 -12.313 -8.137 193 HB3 ASP 25 HB3 ASP 25 -2.470 -11.850 -8.942 194 H VAL 26 H VAL 26 -2.965 -9.884 -8.158 195 HA VAL 26 HA VAL 26 -4.731 -8.759 -6.129 196 HB VAL 26 HB VAL 26 -2.216 -7.876 -6.043 197 HG11 VAL 26 HG11 VAL 26 -1.723 -6.083 -7.419 198 HG12 VAL 26 HG12 VAL 26 -2.550 -7.182 -8.524 199 HG13 VAL 26 HG13 VAL 26 -3.413 -5.805 -7.837 200 HG21 VAL 26 HG21 VAL 26 -3.844 -7.143 -4.485 201 HG22 VAL 26 HG22 VAL 26 -3.162 -5.689 -5.212 202 HG23 VAL 26 HG23 VAL 26 -4.744 -6.273 -5.727 203 H PHE 27 H PHE 27 -6.203 -7.212 -6.935 204 HA PHE 27 HA PHE 27 -6.764 -7.532 -9.758 205 HB2 PHE 27 HB2 PHE 27 -8.411 -7.434 -7.649 206 HB3 PHE 27 HB3 PHE 27 -8.414 -5.724 -8.068 207 HD1 PHE 27 HD1 PHE 27 -8.518 -8.937 -9.972 208 HD2 PHE 27 HD2 PHE 27 -10.236 -5.101 -9.298 209 HE1 PHE 27 HE1 PHE 27 -10.182 -9.377 -11.730 210 HE2 PHE 27 HE2 PHE 27 -11.904 -5.536 -11.054 211 HZ PHE 27 HZ PHE 27 -11.879 -7.676 -12.272 212 H VAL 28 H VAL 28 -5.883 -6.229 -11.211 213 HA VAL 28 HA VAL 28 -5.491 -3.394 -10.505 214 HB VAL 28 HB VAL 28 -3.386 -3.355 -11.296 215 HG11 VAL 28 HG11 VAL 28 -3.266 -5.176 -9.722 216 HG12 VAL 28 HG12 VAL 28 -3.734 -6.333 -10.971 217 HG13 VAL 28 HG13 VAL 28 -2.179 -5.505 -11.071 218 HG21 VAL 28 HG21 VAL 28 -3.925 -3.591 -13.595 219 HG22 VAL 28 HG22 VAL 28 -2.631 -4.742 -13.262 220 HG23 VAL 28 HG23 VAL 28 -4.297 -5.304 -13.402 221 H HIS 29 H HIS 29 -5.992 -1.865 -12.050 222 HA HIS 29 HA HIS 29 -6.937 -2.753 -14.662 223 HB2 HIS 29 HB2 HIS 29 -8.663 -1.731 -12.493 224 HB3 HIS 29 HB3 HIS 29 -8.925 -1.000 -14.074 225 HD1 HIS 29 HD1 HIS 29 -10.528 -2.211 -15.509 226 HD2 HIS 29 HD2 HIS 29 -8.778 -4.719 -12.698 227 HE1 HIS 29 HE1 HIS 29 -11.644 -4.443 -15.814 228 H PHE 30 H PHE 30 -7.369 -0.910 -16.128 229 HA PHE 30 HA PHE 30 -5.234 0.893 -16.161 230 HB2 PHE 30 HB2 PHE 30 -7.522 0.293 -17.813 231 HB3 PHE 30 HB3 PHE 30 -7.286 2.035 -17.712 232 HD1 PHE 30 HD1 PHE 30 -5.644 -1.150 -18.607 233 HD2 PHE 30 HD2 PHE 30 -5.534 3.097 -18.867 234 HE1 PHE 30 HE1 PHE 30 -3.848 -1.303 -20.281 235 HE2 PHE 30 HE2 PHE 30 -3.738 2.951 -20.542 236 HZ PHE 30 HZ PHE 30 -2.892 0.750 -21.251 237 H THR 31 H THR 31 -8.228 1.025 -14.509 238 HA THR 31 HA THR 31 -8.192 3.912 -14.187 239 HB THR 31 HB THR 31 -10.004 2.078 -12.650 240 HG1 THR 31 HG1 THR 31 -11.423 2.172 -14.482 241 HG21 THR 31 HG21 THR 31 -10.228 4.351 -12.034 242 HG22 THR 31 HG22 THR 31 -11.580 4.018 -13.117 243 HG23 THR 31 HG23 THR 31 -10.167 4.890 -13.712 244 H ALA 32 H ALA 32 -6.414 1.534 -12.901 245 HA ALA 32 HA ALA 32 -6.206 2.897 -10.297 246 HB1 ALA 32 HB1 ALA 32 -6.981 0.259 -10.693 247 HB2 ALA 32 HB2 ALA 32 -5.289 0.157 -10.202 248 HB3 ALA 32 HB3 ALA 32 -6.457 0.992 -9.177 249 H ILE 33 H ILE 33 -4.708 2.260 -13.163 250 HA ILE 33 HA ILE 33 -2.030 1.839 -12.168 251 HB ILE 33 HB ILE 33 -3.073 2.406 -14.941 252 HG12 ILE 33 HG12 ILE 33 -1.731 -0.109 -13.992 253 HG13 ILE 33 HG13 ILE 33 -3.449 0.147 -13.708 254 HG21 ILE 33 HG21 ILE 33 -0.862 3.327 -14.805 255 HG22 ILE 33 HG22 ILE 33 -0.256 1.870 -14.018 256 HG23 ILE 33 HG23 ILE 33 -0.782 1.810 -15.700 257 HD11 ILE 33 HD11 ILE 33 -2.185 -0.846 -16.019 258 HD12 ILE 33 HD12 ILE 33 -3.902 -0.545 -15.753 259 HD13 ILE 33 HD13 ILE 33 -2.880 0.720 -16.435 260 H GLU 34 H GLU 34 -0.605 3.359 -11.631 261 HA GLU 34 HA GLU 34 -1.237 6.152 -12.317 262 HB2 GLU 34 HB2 GLU 34 0.501 5.199 -10.040 263 HB3 GLU 34 HB3 GLU 34 -0.092 6.831 -10.318 264 HG2 GLU 34 HG2 GLU 34 -2.326 5.083 -10.193 265 HG3 GLU 34 HG3 GLU 34 -1.279 4.750 -8.815 266 H ALA 35 H ALA 35 -0.150 6.305 -14.256 267 HA ALA 35 HA ALA 35 2.776 6.279 -14.042 268 HB1 ALA 35 HB1 ALA 35 2.926 4.494 -15.356 269 HB2 ALA 35 HB2 ALA 35 1.188 4.498 -15.663 270 HB3 ALA 35 HB3 ALA 35 2.262 5.479 -16.660 271 H ASP 36 H ASP 36 3.653 7.232 -16.270 272 HA ASP 36 HA ASP 36 2.140 9.717 -16.721 273 HB2 ASP 36 HB2 ASP 36 4.999 9.143 -16.323 274 HB3 ASP 36 HB3 ASP 36 4.655 10.259 -17.642 275 H GLY 37 H GLY 37 0.882 8.552 -18.344 276 HA2 GLY 37 HA2 GLY 37 0.795 9.006 -20.793 277 HA3 GLY 37 HA3 GLY 37 2.378 8.248 -20.876 278 H PHE 38 H PHE 38 2.363 6.233 -21.589 279 HA PHE 38 HA PHE 38 -0.055 4.768 -21.911 280 HB2 PHE 38 HB2 PHE 38 2.792 3.783 -22.183 281 HB3 PHE 38 HB3 PHE 38 1.352 3.011 -22.839 282 HD1 PHE 38 HD2 PHE 38 -0.107 4.647 -24.369 283 HD2 PHE 38 HD1 PHE 38 4.066 5.024 -23.621 284 HE1 PHE 38 HE2 PHE 38 0.145 5.942 -26.446 285 HE2 PHE 38 HE1 PHE 38 4.324 6.321 -25.696 286 HZ PHE 38 HZ PHE 38 2.363 6.780 -27.113 287 H ARG 39 H ARG 39 -1.092 3.890 -20.245 288 HA ARG 39 HA ARG 39 0.374 2.931 -17.926 289 HB2 ARG 39 HB2 ARG 39 -2.533 3.367 -18.544 290 HB3 ARG 39 HB3 ARG 39 -2.046 2.417 -17.147 291 HG2 ARG 39 HG2 ARG 39 -2.109 4.388 -16.089 292 HG3 ARG 39 HG3 ARG 39 -0.515 4.619 -16.811 293 HD2 ARG 39 HD2 ARG 39 -1.562 6.570 -17.426 294 HD3 ARG 39 HD3 ARG 39 -1.896 5.553 -18.827 295 HE ARG 39 HE ARG 39 -4.012 5.186 -17.099 296 HH11 ARG 39 HH11 ARG 39 -2.560 7.850 -18.807 297 HH12 ARG 39 HH12 ARG 39 -4.044 8.732 -18.956 298 HH21 ARG 39 HH21 ARG 39 -5.972 6.338 -17.290 299 HH22 ARG 39 HH22 ARG 39 -5.983 7.872 -18.092 300 H THR 40 H THR 40 1.236 1.334 -19.756 301 HA THR 40 HA THR 40 -0.377 -1.125 -19.535 302 HB THR 40 HB THR 40 -0.392 -0.570 -21.839 303 HG1 THR 40 HG1 THR 40 0.437 -2.424 -22.584 304 HG21 THR 40 HG21 THR 40 1.798 -0.209 -23.071 305 HG22 THR 40 HG22 THR 40 2.543 0.002 -21.486 306 HG23 THR 40 HG23 THR 40 1.273 1.104 -22.017 307 H LEU 41 H LEU 41 0.624 -2.955 -18.847 308 HA LEU 41 HA LEU 41 3.444 -2.683 -18.051 309 HB2 LEU 41 HB2 LEU 41 1.564 -4.736 -16.949 310 HB3 LEU 41 HB3 LEU 41 3.046 -4.098 -16.240 311 HG LEU 41 HG LEU 41 0.417 -2.634 -16.482 312 HD11 LEU 41 HD11 LEU 41 0.110 -4.171 -14.771 313 HD12 LEU 41 HD12 LEU 41 0.684 -2.737 -13.920 314 HD13 LEU 41 HD13 LEU 41 1.790 -4.072 -14.243 315 HD21 LEU 41 HD21 LEU 41 2.165 -1.382 -14.668 316 HD22 LEU 41 HD22 LEU 41 1.583 -0.765 -16.214 317 HD23 LEU 41 HD23 LEU 41 3.092 -1.675 -16.140 318 H ASN 42 H ASN 42 4.601 -4.860 -17.912 319 HA ASN 42 HA ASN 42 3.839 -6.578 -20.176 320 HB2 ASN 42 HB2 ASN 42 6.707 -5.911 -19.532 321 HB3 ASN 42 HB3 ASN 42 6.060 -6.652 -20.993 322 HD21 ASN 42 HD21 ASN 42 5.242 -5.383 -22.596 323 HD22 ASN 42 HD22 ASN 42 5.348 -3.659 -22.593 324 H GLU 43 H GLU 43 3.864 -8.704 -19.768 325 HA GLU 43 HA GLU 43 4.020 -9.752 -17.221 326 HB2 GLU 43 HB2 GLU 43 2.962 -10.948 -19.055 327 HB3 GLU 43 HB3 GLU 43 4.514 -11.148 -19.856 328 HG2 GLU 43 HG2 GLU 43 5.257 -12.446 -17.825 329 HG3 GLU 43 HG3 GLU 43 3.572 -12.428 -17.309 330 H GLY 44 H GLY 44 5.593 -10.533 -15.923 331 HA2 GLY 44 HA2 GLY 44 7.706 -11.406 -15.379 332 HA3 GLY 44 HA3 GLY 44 8.264 -11.004 -16.996 333 H GLU 45 H GLU 45 6.861 -8.266 -16.331 334 HA GLU 45 HA GLU 45 9.316 -7.039 -15.381 335 HB2 GLU 45 HB2 GLU 45 8.019 -6.139 -17.333 336 HB3 GLU 45 HB3 GLU 45 6.742 -5.693 -16.210 337 HG2 GLU 45 HG2 GLU 45 7.863 -3.910 -15.432 338 HG3 GLU 45 HG3 GLU 45 9.425 -4.721 -15.512 339 H HIS 46 H HIS 46 9.262 -5.366 -13.708 340 HA HIS 46 HA HIS 46 7.583 -6.219 -11.474 341 HB2 HIS 46 HB2 HIS 46 9.742 -4.160 -11.219 342 HB3 HIS 46 HB3 HIS 46 9.194 -5.352 -10.045 343 HD1 HIS 46 HD1 HIS 46 10.341 -7.616 -10.048 344 HD2 HIS 46 HD2 HIS 46 11.543 -5.168 -13.183 345 HE1 HIS 46 HE1 HIS 46 12.329 -8.765 -11.074 346 H VAL 47 H VAL 47 6.140 -4.915 -10.440 347 HA VAL 47 HA VAL 47 5.958 -2.096 -11.072 348 HB VAL 47 HB VAL 47 3.641 -2.173 -11.841 349 HG11 VAL 47 HG11 VAL 47 5.349 -3.986 -13.537 350 HG12 VAL 47 HG12 VAL 47 4.043 -2.930 -14.078 351 HG13 VAL 47 HG13 VAL 47 5.540 -2.235 -13.456 352 HG21 VAL 47 HG21 VAL 47 2.493 -4.200 -12.337 353 HG22 VAL 47 HG22 VAL 47 3.932 -5.167 -12.009 354 HG23 VAL 47 HG23 VAL 47 3.106 -4.339 -10.689 355 H GLU 48 H GLU 48 4.862 -0.928 -9.531 356 HA GLU 48 HA GLU 48 4.297 -2.336 -7.061 357 HB2 GLU 48 HB2 GLU 48 5.598 -0.167 -7.195 358 HB3 GLU 48 HB3 GLU 48 4.078 0.629 -7.579 359 HG2 GLU 48 HG2 GLU 48 3.169 0.141 -5.462 360 HG3 GLU 48 HG3 GLU 48 4.451 -1.012 -5.094 361 H PHE 49 H PHE 49 2.341 -1.768 -5.793 362 HA PHE 49 HA PHE 49 0.027 -0.758 -7.112 363 HB2 PHE 49 HB2 PHE 49 -1.276 -2.807 -7.229 364 HB3 PHE 49 HB3 PHE 49 0.183 -2.978 -8.199 365 HD1 PHE 49 HD1 PHE 49 2.034 -4.392 -7.414 366 HD2 PHE 49 HD2 PHE 49 -1.661 -4.164 -5.313 367 HE1 PHE 49 HE1 PHE 49 2.606 -6.449 -6.192 368 HE2 PHE 49 HE2 PHE 49 -1.094 -6.220 -4.086 369 HZ PHE 49 HZ PHE 49 1.041 -7.366 -4.526 370 H GLU 50 H GLU 50 -1.320 0.017 -5.614 371 HA GLU 50 HA GLU 50 -0.878 -0.785 -2.829 372 HB2 GLU 50 HB2 GLU 50 -0.675 1.527 -2.942 373 HB3 GLU 50 HB3 GLU 50 -1.949 1.683 -4.143 374 HG2 GLU 50 HG2 GLU 50 -3.585 1.776 -2.601 375 HG3 GLU 50 HG3 GLU 50 -2.781 0.640 -1.519 376 H VAL 51 H VAL 51 -2.128 -2.522 -2.409 377 HA VAL 51 HA VAL 51 -4.657 -3.042 -3.516 378 HB VAL 51 HB VAL 51 -4.912 -4.747 -1.810 379 HG11 VAL 51 HG11 VAL 51 -2.081 -5.187 -2.140 380 HG12 VAL 51 HG12 VAL 51 -3.444 -6.034 -2.875 381 HG13 VAL 51 HG13 VAL 51 -2.804 -4.572 -3.625 382 HG21 VAL 51 HG21 VAL 51 -3.063 -4.960 -0.076 383 HG22 VAL 51 HG22 VAL 51 -2.658 -3.286 -0.459 384 HG23 VAL 51 HG23 VAL 51 -4.251 -3.682 0.184 385 H GLU 52 H GLU 52 -6.581 -2.177 -3.126 386 HA GLU 52 HA GLU 52 -6.953 -0.660 -0.629 387 HB2 GLU 52 HB2 GLU 52 -7.516 -0.027 -3.399 388 HB3 GLU 52 HB3 GLU 52 -8.970 0.091 -2.417 389 HG2 GLU 52 HG2 GLU 52 -7.384 1.441 -0.816 390 HG3 GLU 52 HG3 GLU 52 -6.466 1.685 -2.301 391 HA PRO 53 HA PRO 53 -10.268 -3.248 0.614 392 HB2 PRO 53 HB2 PRO 53 -12.018 -1.470 1.686 393 HB3 PRO 53 HB3 PRO 53 -10.493 -1.905 2.465 394 HG2 PRO 53 HG2 PRO 53 -11.155 0.496 0.805 395 HG3 PRO 53 HG3 PRO 53 -10.228 0.400 2.314 396 HD2 PRO 53 HD2 PRO 53 -9.044 0.595 -0.113 397 HD3 PRO 53 HD3 PRO 53 -8.310 -0.291 1.239 398 H GLY 54 H GLY 54 -12.441 -0.587 0.108 399 HA2 GLY 54 HA2 GLY 54 -14.042 -2.194 -1.684 400 HA3 GLY 54 HA3 GLY 54 -14.455 -0.608 -1.050 401 H ARG 55 H ARG 55 -12.002 -2.045 -3.207 402 HA ARG 55 HA ARG 55 -12.618 0.070 -5.153 403 HB2 ARG 55 HB2 ARG 55 -10.413 0.310 -3.735 404 HB3 ARG 55 HB3 ARG 55 -9.805 -0.899 -4.858 405 HG2 ARG 55 HG2 ARG 55 -9.171 1.090 -5.844 406 HG3 ARG 55 HG3 ARG 55 -10.670 0.697 -6.690 407 HD2 ARG 55 HD2 ARG 55 -11.275 2.198 -4.332 408 HD3 ARG 55 HD3 ARG 55 -10.036 3.044 -5.258 409 HE ARG 55 HE ARG 55 -12.040 2.236 -7.027 410 HH11 ARG 55 HH11 ARG 55 -11.605 4.417 -4.349 411 HH12 ARG 55 HH12 ARG 55 -12.804 5.540 -4.900 412 HH21 ARG 55 HH21 ARG 55 -13.620 3.707 -7.763 413 HH22 ARG 55 HH22 ARG 55 -13.950 5.135 -6.842 414 H GLY 56 H GLY 56 -11.193 -3.116 -4.569 415 HA2 GLY 56 HA2 GLY 56 -11.584 -3.758 -7.418 416 HA3 GLY 56 HA3 GLY 56 -10.495 -4.608 -6.332 417 H GLY 57 H GLY 57 -12.638 -5.649 -8.058 418 HA2 GLY 57 HA2 GLY 57 -14.977 -6.328 -6.787 419 HA3 GLY 57 HA3 GLY 57 -14.144 -7.383 -7.919 420 H LYS 58 H LYS 58 -12.013 -8.314 -6.739 421 HA LYS 58 HA LYS 58 -13.028 -10.082 -4.754 422 HB2 LYS 58 HB2 LYS 58 -10.333 -9.627 -5.992 423 HB3 LYS 58 HB3 LYS 58 -10.498 -10.692 -4.602 424 HG2 LYS 58 HG2 LYS 58 -12.325 -11.123 -6.899 425 HG3 LYS 58 HG3 LYS 58 -10.632 -11.589 -7.082 426 HD2 LYS 58 HD2 LYS 58 -11.196 -13.506 -6.084 427 HD3 LYS 58 HD3 LYS 58 -11.308 -12.571 -4.590 428 HE2 LYS 58 HE2 LYS 58 -13.589 -12.517 -4.635 429 HE3 LYS 58 HE3 LYS 58 -13.665 -12.580 -6.395 430 HZ1 LYS 58 HZ1 LYS 58 -14.224 -14.644 -4.788 431 HZ2 LYS 58 HZ2 LYS 58 -12.598 -14.954 -5.132 432 HZ3 LYS 58 HZ3 LYS 58 -13.716 -14.807 -6.393 433 H GLY 59 H GLY 59 -11.870 -6.943 -4.568 434 HA2 GLY 59 HA2 GLY 59 -12.159 -5.963 -2.297 435 HA3 GLY 59 HA3 GLY 59 -11.182 -7.303 -1.715 436 HA PRO 60 HA PRO 60 -7.536 -4.922 -2.166 437 HB2 PRO 60 HB2 PRO 60 -5.723 -6.789 -2.939 438 HB3 PRO 60 HB3 PRO 60 -6.380 -6.709 -1.300 439 HG2 PRO 60 HG2 PRO 60 -7.170 -8.489 -3.573 440 HG3 PRO 60 HG3 PRO 60 -6.952 -8.892 -1.860 441 HD2 PRO 60 HD2 PRO 60 -9.392 -8.488 -2.962 442 HD3 PRO 60 HD3 PRO 60 -9.026 -8.077 -1.274 443 H GLN 61 H GLN 61 -7.497 -3.462 -3.777 444 HA GLN 61 HA GLN 61 -6.995 -4.438 -6.511 445 HB2 GLN 61 HB2 GLN 61 -9.178 -3.077 -5.807 446 HB3 GLN 61 HB3 GLN 61 -8.101 -1.711 -6.068 447 HG2 GLN 61 HG2 GLN 61 -7.607 -2.686 -8.337 448 HG3 GLN 61 HG3 GLN 61 -8.935 -3.808 -8.048 449 HE21 GLN 61 HE21 GLN 61 -10.620 -3.191 -9.189 450 HE22 GLN 61 HE22 GLN 61 -11.210 -1.575 -9.343 451 H ALA 62 H ALA 62 -5.765 -2.917 -7.895 452 HA ALA 62 HA ALA 62 -3.431 -1.983 -6.465 453 HB1 ALA 62 HB1 ALA 62 -2.716 -1.405 -8.891 454 HB2 ALA 62 HB2 ALA 62 -2.825 -3.095 -8.398 455 HB3 ALA 62 HB3 ALA 62 -4.121 -2.368 -9.348 456 H LYS 63 H LYS 63 -5.251 -0.390 -5.517 457 HA LYS 63 HA LYS 63 -6.221 1.806 -6.773 458 HB2 LYS 63 HB2 LYS 63 -6.553 1.392 -4.392 459 HB3 LYS 63 HB3 LYS 63 -4.860 1.748 -4.073 460 HG2 LYS 63 HG2 LYS 63 -5.987 3.688 -3.453 461 HG3 LYS 63 HG3 LYS 63 -5.344 4.056 -5.055 462 HD2 LYS 63 HD2 LYS 63 -8.097 2.923 -4.782 463 HD3 LYS 63 HD3 LYS 63 -7.820 4.640 -4.477 464 HE2 LYS 63 HE2 LYS 63 -6.490 4.344 -6.803 465 HE3 LYS 63 HE3 LYS 63 -7.740 3.118 -7.004 466 HZ1 LYS 63 HZ1 LYS 63 -7.972 6.005 -6.960 467 HZ2 LYS 63 HZ2 LYS 63 -9.178 5.179 -6.110 468 HZ3 LYS 63 HZ3 LYS 63 -8.926 4.853 -7.751 469 H LYS 64 H LYS 64 -2.880 1.327 -5.719 470 HA LYS 64 HA LYS 64 -2.110 3.614 -7.406 471 HB2 LYS 64 HB2 LYS 64 -1.928 3.634 -4.681 472 HB3 LYS 64 HB3 LYS 64 -0.337 3.031 -5.128 473 HG2 LYS 64 HG2 LYS 64 0.319 5.093 -5.571 474 HG3 LYS 64 HG3 LYS 64 -0.927 5.227 -6.815 475 HD2 LYS 64 HD2 LYS 64 -1.404 5.737 -3.881 476 HD3 LYS 64 HD3 LYS 64 -1.027 7.000 -5.055 477 HE2 LYS 64 HE2 LYS 64 -3.060 6.809 -6.113 478 HE3 LYS 64 HE3 LYS 64 -3.281 5.132 -5.617 479 HZ1 LYS 64 HZ1 LYS 64 -3.244 7.178 -3.528 480 HZ2 LYS 64 HZ2 LYS 64 -4.126 5.737 -3.613 481 HZ3 LYS 64 HZ3 LYS 64 -4.620 7.085 -4.508 482 H VAL 65 H VAL 65 -1.442 2.409 -9.141 483 HA VAL 65 HA VAL 65 0.566 0.320 -8.679 484 HB VAL 65 HB VAL 65 -1.562 0.628 -10.580 485 HG11 VAL 65 HG11 VAL 65 -0.336 -0.027 -12.616 486 HG12 VAL 65 HG12 VAL 65 0.081 1.598 -12.070 487 HG13 VAL 65 HG13 VAL 65 1.185 0.255 -11.769 488 HG21 VAL 65 HG21 VAL 65 -0.752 -1.365 -9.154 489 HG22 VAL 65 HG22 VAL 65 -1.364 -1.682 -10.777 490 HG23 VAL 65 HG23 VAL 65 0.374 -1.657 -10.479 491 H ARG 66 H ARG 66 2.595 0.394 -9.584 492 HA ARG 66 HA ARG 66 3.328 2.834 -11.050 493 HB2 ARG 66 HB2 ARG 66 5.104 1.631 -8.935 494 HB3 ARG 66 HB3 ARG 66 5.263 3.192 -9.728 495 HG2 ARG 66 HG2 ARG 66 3.190 3.932 -8.605 496 HG3 ARG 66 HG3 ARG 66 3.145 2.390 -7.746 497 HD2 ARG 66 HD2 ARG 66 4.229 3.651 -6.187 498 HD3 ARG 66 HD3 ARG 66 5.617 3.085 -7.115 499 HE ARG 66 HE ARG 66 4.903 5.424 -8.322 500 HH11 ARG 66 HH11 ARG 66 5.731 4.487 -5.073 501 HH12 ARG 66 HH12 ARG 66 6.406 6.029 -4.661 502 HH21 ARG 66 HH21 ARG 66 5.788 7.458 -7.792 503 HH22 ARG 66 HH22 ARG 66 6.436 7.719 -6.208 504 H ARG 67 H ARG 67 5.123 2.633 -12.452 505 HA ARG 67 HA ARG 67 5.497 -0.079 -13.434 506 HB2 ARG 67 HB2 ARG 67 6.504 0.962 -15.385 507 HB3 ARG 67 HB3 ARG 67 4.967 1.734 -15.017 508 HG2 ARG 67 HG2 ARG 67 6.182 3.574 -13.921 509 HG3 ARG 67 HG3 ARG 67 7.706 2.809 -14.378 510 HD2 ARG 67 HD2 ARG 67 5.645 3.422 -16.457 511 HD3 ARG 67 HD3 ARG 67 6.709 4.697 -15.864 512 HE ARG 67 HE ARG 67 8.136 2.350 -16.662 513 HH11 ARG 67 HH11 ARG 67 6.636 5.274 -17.810 514 HH12 ARG 67 HH12 ARG 67 7.624 5.378 -19.230 515 HH21 ARG 67 HH21 ARG 67 9.443 2.476 -18.528 516 HH22 ARG 67 HH22 ARG 67 9.219 3.785 -19.638 517 H ILE 68 H ILE 68 7.325 -1.239 -13.267 518 HA ILE 68 HA ILE 68 9.793 0.085 -12.416 519 HB ILE 68 HB ILE 68 8.862 -2.435 -11.057 520 HG12 ILE 68 HG12 ILE 68 8.256 0.415 -10.444 521 HG13 ILE 68 HG13 ILE 68 7.282 -1.025 -10.168 522 HG21 ILE 68 HG21 ILE 68 10.646 -2.062 -9.549 523 HG22 ILE 68 HG22 ILE 68 11.309 -1.825 -11.165 524 HG23 ILE 68 HG23 ILE 68 10.916 -0.430 -10.160 525 HD11 ILE 68 HD11 ILE 68 7.867 -0.254 -8.043 526 HD12 ILE 68 HD12 ILE 68 8.956 -1.607 -8.347 527 HD13 ILE 68 HD13 ILE 68 9.538 0.049 -8.516 Start of MODEL 5 1 H1 MET 1 H MET 1 1.486 -0.767 1.023 2 HA MET 1 HA MET 1 1.275 -0.259 -1.863 3 HB2 MET 1 HB2 MET 1 3.620 0.692 -0.228 4 HB3 MET 1 HB3 MET 1 3.213 1.107 -1.888 5 HG2 MET 1 HG2 MET 1 1.259 2.340 -1.104 6 HG3 MET 1 HG3 MET 1 1.662 1.921 0.559 7 HE1 MET 1 HE1 MET 1 3.709 3.597 1.995 8 HE2 MET 1 HE2 MET 1 2.942 5.106 1.501 9 HE3 MET 1 HE3 MET 1 1.963 3.661 1.757 10 H LYS 2 H LYS 2 1.705 -2.171 -2.755 11 HA LYS 2 HA LYS 2 4.000 -3.704 -1.720 12 HB2 LYS 2 HB2 LYS 2 1.552 -4.780 -3.131 13 HB3 LYS 2 HB3 LYS 2 2.894 -5.734 -2.513 14 HG2 LYS 2 HG2 LYS 2 0.936 -4.122 -0.892 15 HG3 LYS 2 HG3 LYS 2 1.028 -5.881 -1.003 16 HD2 LYS 2 HD2 LYS 2 3.494 -5.481 -0.189 17 HD3 LYS 2 HD3 LYS 2 2.820 -3.967 0.418 18 HE2 LYS 2 HE2 LYS 2 1.022 -5.378 1.518 19 HE3 LYS 2 HE3 LYS 2 2.019 -6.779 1.126 20 HZ1 LYS 2 HZ1 LYS 2 3.521 -4.709 2.398 21 HZ2 LYS 2 HZ2 LYS 2 3.375 -6.342 2.813 22 HZ3 LYS 2 HZ3 LYS 2 2.229 -5.225 3.360 23 H LYS 3 H LYS 3 5.442 -4.594 -3.188 24 HA LYS 3 HA LYS 3 5.115 -3.738 -5.989 25 HB2 LYS 3 HB2 LYS 3 7.709 -3.842 -4.438 26 HB3 LYS 3 HB3 LYS 3 7.515 -3.330 -6.110 27 HG2 LYS 3 HG2 LYS 3 6.488 -1.337 -5.515 28 HG3 LYS 3 HG3 LYS 3 6.057 -1.926 -3.908 29 HD2 LYS 3 HD2 LYS 3 8.067 -1.391 -3.034 30 HD3 LYS 3 HD3 LYS 3 8.941 -1.867 -4.493 31 HE2 LYS 3 HE2 LYS 3 7.737 0.296 -5.453 32 HE3 LYS 3 HE3 LYS 3 7.749 0.751 -3.750 33 HZ1 LYS 3 HZ1 LYS 3 9.744 1.340 -5.299 34 HZ2 LYS 3 HZ2 LYS 3 10.229 -0.245 -4.960 35 HZ3 LYS 3 HZ3 LYS 3 10.016 0.863 -3.699 36 H GLY 4 H GLY 4 5.286 -5.303 -7.467 37 HA2 GLY 4 HA2 GLY 4 7.002 -7.579 -7.108 38 HA3 GLY 4 HA3 GLY 4 5.301 -7.983 -6.931 39 H THR 5 H THR 5 6.558 -9.265 -8.873 40 HA THR 5 HA THR 5 6.554 -7.888 -11.378 41 HB THR 5 HB THR 5 6.586 -10.348 -12.261 42 HG1 THR 5 HG1 THR 5 5.948 -11.343 -10.316 43 HG21 THR 5 HG21 THR 5 8.956 -9.735 -10.561 44 HG22 THR 5 HG22 THR 5 8.510 -8.592 -11.829 45 HG23 THR 5 HG23 THR 5 8.880 -10.266 -12.241 46 H VAL 6 H VAL 6 5.174 -8.396 -13.198 47 HA VAL 6 HA VAL 6 2.396 -8.750 -12.356 48 HB VAL 6 HB VAL 6 3.008 -6.771 -13.734 49 HG11 VAL 6 HG11 VAL 6 4.051 -6.897 -15.716 50 HG12 VAL 6 HG12 VAL 6 4.527 -8.509 -15.180 51 HG13 VAL 6 HG13 VAL 6 3.122 -8.306 -16.226 52 HG21 VAL 6 HG21 VAL 6 0.718 -7.663 -13.701 53 HG22 VAL 6 HG22 VAL 6 1.119 -6.933 -15.255 54 HG23 VAL 6 HG23 VAL 6 1.107 -8.688 -15.083 55 H LYS 7 H LYS 7 1.248 -10.517 -12.805 56 HA LYS 7 HA LYS 7 2.498 -12.770 -14.049 57 HB2 LYS 7 HB2 LYS 7 0.626 -12.584 -12.159 58 HB3 LYS 7 HB3 LYS 7 -0.438 -12.733 -13.551 59 HG2 LYS 7 HG2 LYS 7 0.095 -14.896 -13.901 60 HG3 LYS 7 HG3 LYS 7 1.773 -14.678 -13.395 61 HD2 LYS 7 HD2 LYS 7 0.623 -16.101 -11.813 62 HD3 LYS 7 HD3 LYS 7 1.015 -14.560 -11.047 63 HE2 LYS 7 HE2 LYS 7 -1.128 -14.423 -10.461 64 HE3 LYS 7 HE3 LYS 7 -1.496 -14.162 -12.165 65 HZ1 LYS 7 HZ1 LYS 7 -1.752 -16.604 -10.563 66 HZ2 LYS 7 HZ2 LYS 7 -1.421 -16.756 -12.214 67 HZ3 LYS 7 HZ3 LYS 7 -2.816 -15.948 -11.702 68 H TRP 8 H TRP 8 0.052 -10.423 -14.990 69 HA TRP 8 HA TRP 8 0.526 -10.754 -17.741 70 HB2 TRP 8 HB2 TRP 8 -1.532 -11.833 -18.463 71 HB3 TRP 8 HB3 TRP 8 -0.649 -12.900 -17.374 72 HD1 TRP 8 HD1 TRP 8 -3.567 -10.343 -17.120 73 HE1 TRP 8 HE1 TRP 8 -5.254 -11.246 -15.399 74 HE3 TRP 8 HE3 TRP 8 -1.069 -14.561 -15.668 75 HZ2 TRP 8 HZ2 TRP 8 -5.494 -13.453 -13.656 76 HZ3 TRP 8 HZ3 TRP 8 -2.096 -16.014 -13.969 77 HH2 TRP 8 HH2 TRP 8 -4.263 -15.470 -12.984 78 H PHE 9 H PHE 9 -0.556 -9.220 -18.993 79 HA PHE 9 HA PHE 9 -2.278 -7.365 -17.483 80 HB2 PHE 9 HB2 PHE 9 0.110 -6.589 -18.078 81 HB3 PHE 9 HB3 PHE 9 -0.480 -6.494 -19.734 82 HD1 PHE 9 HD2 PHE 9 -1.964 -5.561 -16.441 83 HD2 PHE 9 HD1 PHE 9 -0.791 -4.304 -20.334 84 HE1 PHE 9 HE2 PHE 9 -2.867 -3.318 -15.985 85 HE2 PHE 9 HE1 PHE 9 -1.691 -2.059 -19.884 86 HZ PHE 9 HZ PHE 9 -2.730 -1.563 -17.707 87 H ASN 10 H ASN 10 -4.256 -7.967 -18.214 88 HA ASN 10 HA ASN 10 -4.759 -8.605 -20.963 89 HB2 ASN 10 HB2 ASN 10 -6.015 -9.337 -18.740 90 HB3 ASN 10 HB3 ASN 10 -6.982 -7.908 -19.096 91 HD21 ASN 10 HD21 ASN 10 -8.410 -7.947 -20.758 92 HD22 ASN 10 HD22 ASN 10 -8.743 -9.352 -21.707 93 H ALA 11 H ALA 11 -4.060 -6.736 -22.075 94 HA ALA 11 HA ALA 11 -5.115 -4.147 -21.547 95 HB1 ALA 11 HB1 ALA 11 -3.692 -5.302 -23.934 96 HB2 ALA 11 HB2 ALA 11 -4.177 -3.610 -23.816 97 HB3 ALA 11 HB3 ALA 11 -3.023 -4.279 -22.662 98 H GLU 12 H GLU 12 -6.242 -6.884 -23.332 99 HA GLU 12 HA GLU 12 -7.943 -5.647 -25.176 100 HB2 GLU 12 HB2 GLU 12 -7.950 -8.333 -23.838 101 HB3 GLU 12 HB3 GLU 12 -9.279 -7.862 -24.886 102 HG2 GLU 12 HG2 GLU 12 -7.856 -9.038 -26.287 103 HG3 GLU 12 HG3 GLU 12 -7.480 -7.351 -26.629 104 H LYS 13 H LYS 13 -8.337 -6.339 -21.768 105 HA LYS 13 HA LYS 13 -11.056 -5.215 -21.864 106 HB2 LYS 13 HB2 LYS 13 -9.739 -6.930 -19.750 107 HB3 LYS 13 HB3 LYS 13 -11.365 -6.269 -19.639 108 HG2 LYS 13 HG2 LYS 13 -10.556 -8.025 -21.926 109 HG3 LYS 13 HG3 LYS 13 -11.090 -8.701 -20.386 110 HD2 LYS 13 HD2 LYS 13 -13.241 -7.884 -20.625 111 HD3 LYS 13 HD3 LYS 13 -12.743 -6.613 -21.744 112 HE2 LYS 13 HE2 LYS 13 -12.627 -8.072 -23.545 113 HE3 LYS 13 HE3 LYS 13 -12.480 -9.493 -22.512 114 HZ1 LYS 13 HZ1 LYS 13 -14.776 -9.273 -21.886 115 HZ2 LYS 13 HZ2 LYS 13 -14.669 -9.308 -23.574 116 HZ3 LYS 13 HZ3 LYS 13 -14.934 -7.841 -22.774 117 H GLY 14 H GLY 14 -7.870 -4.877 -20.472 118 HA2 GLY 14 HA2 GLY 14 -7.048 -2.721 -19.837 119 HA3 GLY 14 HA3 GLY 14 -8.689 -2.259 -19.412 120 H TYR 15 H TYR 15 -7.401 -5.341 -18.444 121 HA TYR 15 HA TYR 15 -7.091 -4.327 -15.696 122 HB2 TYR 15 HB2 TYR 15 -8.150 -7.077 -16.308 123 HB3 TYR 15 HB3 TYR 15 -8.233 -6.183 -14.794 124 HD1 TYR 15 HD1 TYR 15 -9.271 -3.581 -15.667 125 HD2 TYR 15 HD2 TYR 15 -10.358 -7.506 -16.901 126 HE1 TYR 15 HE1 TYR 15 -11.513 -2.766 -16.267 127 HE2 TYR 15 HE2 TYR 15 -12.602 -6.701 -17.506 128 HH TYR 15 HH TYR 15 -13.831 -4.813 -17.921 129 H GLY 16 H GLY 16 -6.036 -6.242 -14.328 130 HA2 GLY 16 HA2 GLY 16 -4.156 -7.899 -15.682 131 HA3 GLY 16 HA3 GLY 16 -3.385 -6.437 -15.084 132 H PHE 17 H PHE 17 -2.382 -8.657 -14.096 133 HA PHE 17 HA PHE 17 -3.369 -8.675 -11.337 134 HB2 PHE 17 HB2 PHE 17 -2.960 -11.061 -13.112 135 HB3 PHE 17 HB3 PHE 17 -2.755 -11.206 -11.370 136 HD1 PHE 17 HD1 PHE 17 -5.195 -10.000 -13.910 137 HD2 PHE 17 HD2 PHE 17 -4.584 -11.686 -10.050 138 HE1 PHE 17 HE1 PHE 17 -7.625 -10.284 -13.653 139 HE2 PHE 17 HE2 PHE 17 -7.013 -11.974 -9.787 140 HZ PHE 17 HZ PHE 17 -8.537 -11.272 -11.590 141 H ILE 18 H ILE 18 -1.787 -8.342 -9.921 142 HA ILE 18 HA ILE 18 0.988 -8.753 -10.819 143 HB ILE 18 HB ILE 18 -0.046 -6.837 -8.725 144 HG12 ILE 18 HG12 ILE 18 1.334 -5.976 -11.227 145 HG13 ILE 18 HG13 ILE 18 -0.353 -6.467 -11.336 146 HG21 ILE 18 HG21 ILE 18 2.715 -7.528 -9.665 147 HG22 ILE 18 HG22 ILE 18 2.354 -5.953 -8.962 148 HG23 ILE 18 HG23 ILE 18 2.098 -7.419 -8.017 149 HD11 ILE 18 HD11 ILE 18 -0.470 -4.787 -9.234 150 HD12 ILE 18 HD12 ILE 18 0.846 -4.063 -10.159 151 HD13 ILE 18 HD13 ILE 18 -0.732 -4.302 -10.909 152 H GLN 19 H GLN 19 2.483 -9.695 -9.421 153 HA GLN 19 HA GLN 19 1.322 -11.056 -7.079 154 HB2 GLN 19 HB2 GLN 19 3.666 -12.211 -8.525 155 HB3 GLN 19 HB3 GLN 19 2.419 -13.024 -7.589 156 HG2 GLN 19 HG2 GLN 19 2.036 -11.805 -10.314 157 HG3 GLN 19 HG3 GLN 19 2.267 -13.520 -9.979 158 HE21 GLN 19 HE21 GLN 19 0.016 -11.295 -10.690 159 HE22 GLN 19 HE22 GLN 19 -1.376 -12.021 -9.970 160 H GLN 20 H GLN 20 2.223 -10.557 -5.198 161 HA GLN 20 HA GLN 20 4.904 -9.338 -5.214 162 HB2 GLN 20 HB2 GLN 20 2.742 -8.090 -4.369 163 HB3 GLN 20 HB3 GLN 20 3.024 -9.030 -2.910 164 HG2 GLN 20 HG2 GLN 20 5.493 -7.883 -3.678 165 HG3 GLN 20 HG3 GLN 20 4.266 -6.620 -3.748 166 HE21 GLN 20 HE21 GLN 20 6.472 -6.867 -1.910 167 HE22 GLN 20 HE22 GLN 20 5.791 -6.954 -0.325 168 H GLU 21 H GLU 21 5.945 -9.570 -2.913 169 HA GLU 21 HA GLU 21 6.690 -12.218 -2.571 170 HB2 GLU 21 HB2 GLU 21 7.820 -11.526 -0.578 171 HB3 GLU 21 HB3 GLU 21 7.928 -10.207 -1.736 172 HG2 GLU 21 HG2 GLU 21 5.763 -9.383 -0.485 173 HG3 GLU 21 HG3 GLU 21 6.421 -10.376 0.815 174 H GLU 22 H GLU 22 3.917 -10.550 -1.388 175 HA GLU 22 HA GLU 22 3.238 -11.927 0.896 176 HB2 GLU 22 HB2 GLU 22 1.716 -10.551 -1.241 177 HB3 GLU 22 HB3 GLU 22 0.800 -11.651 -0.221 178 HG2 GLU 22 HG2 GLU 22 2.519 -9.930 1.341 179 HG3 GLU 22 HG3 GLU 22 1.420 -9.008 0.316 180 H GLY 23 H GLY 23 1.751 -12.721 -2.244 181 HA2 GLY 23 HA2 GLY 23 2.444 -15.322 -2.576 182 HA3 GLY 23 HA3 GLY 23 1.193 -15.405 -1.344 183 HA PRO 24 HA PRO 24 -2.002 -15.196 -4.332 184 HB2 PRO 24 HB2 PRO 24 -3.745 -13.361 -3.348 185 HB3 PRO 24 HB3 PRO 24 -3.525 -14.961 -2.627 186 HG2 PRO 24 HG2 PRO 24 -2.372 -12.329 -1.785 187 HG3 PRO 24 HG3 PRO 24 -3.064 -13.619 -0.785 188 HD2 PRO 24 HD2 PRO 24 -0.394 -13.282 -1.084 189 HD3 PRO 24 HD3 PRO 24 -1.135 -14.878 -0.851 190 H ASP 25 H ASP 25 -3.166 -13.849 -5.908 191 HA ASP 25 HA ASP 25 -1.424 -11.806 -6.974 192 HB2 ASP 25 HB2 ASP 25 -3.004 -11.800 -8.886 193 HB3 ASP 25 HB3 ASP 25 -2.403 -13.413 -8.510 194 H VAL 26 H VAL 26 -2.988 -9.999 -8.176 195 HA VAL 26 HA VAL 26 -4.793 -8.862 -6.177 196 HB VAL 26 HB VAL 26 -2.255 -8.000 -6.117 197 HG11 VAL 26 HG11 VAL 26 -3.478 -5.892 -7.843 198 HG12 VAL 26 HG12 VAL 26 -1.779 -6.209 -7.490 199 HG13 VAL 26 HG13 VAL 26 -2.665 -7.269 -8.586 200 HG21 VAL 26 HG21 VAL 26 -3.800 -7.271 -4.502 201 HG22 VAL 26 HG22 VAL 26 -3.220 -5.798 -5.278 202 HG23 VAL 26 HG23 VAL 26 -4.800 -6.456 -5.705 203 H PHE 27 H PHE 27 -6.235 -7.290 -7.003 204 HA PHE 27 HA PHE 27 -6.726 -7.591 -9.856 205 HB2 PHE 27 HB2 PHE 27 -8.417 -7.567 -7.721 206 HB3 PHE 27 HB3 PHE 27 -8.550 -5.900 -8.272 207 HD1 PHE 27 HD1 PHE 27 -8.049 -8.988 -10.273 208 HD2 PHE 27 HD2 PHE 27 -10.655 -5.784 -9.241 209 HE1 PHE 27 HE1 PHE 27 -9.614 -9.699 -12.033 210 HE2 PHE 27 HE2 PHE 27 -12.225 -6.491 -10.999 211 HZ PHE 27 HZ PHE 27 -11.706 -8.451 -12.397 212 H VAL 28 H VAL 28 -5.888 -6.186 -11.236 213 HA VAL 28 HA VAL 28 -5.654 -3.366 -10.410 214 HB VAL 28 HB VAL 28 -3.593 -3.111 -11.477 215 HG11 VAL 28 HG11 VAL 28 -3.901 -5.144 -9.560 216 HG12 VAL 28 HG12 VAL 28 -2.719 -5.734 -10.730 217 HG13 VAL 28 HG13 VAL 28 -2.456 -4.196 -9.909 218 HG21 VAL 28 HG21 VAL 28 -3.495 -4.009 -13.531 219 HG22 VAL 28 HG22 VAL 28 -2.778 -5.399 -12.715 220 HG23 VAL 28 HG23 VAL 28 -4.502 -5.386 -13.085 221 H HIS 29 H HIS 29 -6.057 -1.796 -11.983 222 HA HIS 29 HA HIS 29 -7.106 -2.742 -14.556 223 HB2 HIS 29 HB2 HIS 29 -8.495 -0.659 -12.862 224 HB3 HIS 29 HB3 HIS 29 -9.055 -1.329 -14.391 225 HD1 HIS 29 HD1 HIS 29 -10.171 -1.463 -11.215 226 HD2 HIS 29 HD2 HIS 29 -8.888 -4.496 -13.748 227 HE1 HIS 29 HE1 HIS 29 -11.228 -3.568 -10.334 228 H PHE 30 H PHE 30 -7.282 -1.018 -16.180 229 HA PHE 30 HA PHE 30 -4.922 0.479 -16.374 230 HB2 PHE 30 HB2 PHE 30 -7.187 -0.076 -18.017 231 HB3 PHE 30 HB3 PHE 30 -6.908 1.662 -18.039 232 HD1 PHE 30 HD2 PHE 30 -4.815 2.575 -18.902 233 HD2 PHE 30 HD1 PHE 30 -5.631 -1.601 -19.006 234 HE1 PHE 30 HE2 PHE 30 -2.997 2.264 -20.530 235 HE2 PHE 30 HE1 PHE 30 -3.813 -1.919 -20.633 236 HZ PHE 30 HZ PHE 30 -2.493 0.014 -21.397 237 H THR 31 H THR 31 -7.922 1.177 -14.851 238 HA THR 31 HA THR 31 -7.533 4.046 -14.827 239 HB THR 31 HB THR 31 -9.566 4.148 -13.493 240 HG1 THR 31 HG1 THR 31 -9.034 1.421 -13.183 241 HG21 THR 31 HG21 THR 31 -10.129 2.058 -15.568 242 HG22 THR 31 HG22 THR 31 -9.562 3.660 -16.040 243 HG23 THR 31 HG23 THR 31 -11.070 3.487 -15.142 244 H ALA 32 H ALA 32 -6.631 1.354 -12.912 245 HA ALA 32 HA ALA 32 -6.219 2.936 -10.503 246 HB1 ALA 32 HB1 ALA 32 -5.173 0.181 -10.632 247 HB2 ALA 32 HB2 ALA 32 -6.109 0.985 -9.372 248 HB3 ALA 32 HB3 ALA 32 -6.919 0.359 -10.807 249 H ILE 33 H ILE 33 -4.465 1.866 -13.260 250 HA ILE 33 HA ILE 33 -1.852 1.882 -12.163 251 HB ILE 33 HB ILE 33 -2.888 2.134 -14.974 252 HG12 ILE 33 HG12 ILE 33 -1.001 0.006 -14.247 253 HG13 ILE 33 HG13 ILE 33 -2.504 -0.035 -13.331 254 HG21 ILE 33 HG21 ILE 33 -0.050 2.353 -14.008 255 HG22 ILE 33 HG22 ILE 33 -0.461 1.868 -15.652 256 HG23 ILE 33 HG23 ILE 33 -0.938 3.458 -15.056 257 HD11 ILE 33 HD11 ILE 33 -3.749 -0.582 -15.141 258 HD12 ILE 33 HD12 ILE 33 -2.707 0.292 -16.264 259 HD13 ILE 33 HD13 ILE 33 -2.212 -1.283 -15.645 260 H GLU 34 H GLU 34 -0.555 3.517 -11.639 261 HA GLU 34 HA GLU 34 -1.403 6.238 -12.343 262 HB2 GLU 34 HB2 GLU 34 0.455 5.249 -10.174 263 HB3 GLU 34 HB3 GLU 34 0.106 6.942 -10.491 264 HG2 GLU 34 HG2 GLU 34 -2.353 5.532 -10.205 265 HG3 GLU 34 HG3 GLU 34 -1.302 5.144 -8.844 266 H ALA 35 H ALA 35 -0.523 6.436 -14.390 267 HA ALA 35 HA ALA 35 2.419 6.538 -14.469 268 HB1 ALA 35 HB1 ALA 35 1.424 5.984 -17.077 269 HB2 ALA 35 HB2 ALA 35 2.501 5.011 -16.074 270 HB3 ALA 35 HB3 ALA 35 0.754 4.799 -15.955 271 H ASP 36 H ASP 36 3.199 7.867 -16.376 272 HA ASP 36 HA ASP 36 1.475 10.239 -16.648 273 HB2 ASP 36 HB2 ASP 36 3.808 10.320 -15.461 274 HB3 ASP 36 HB3 ASP 36 4.437 10.314 -17.106 275 H GLY 37 H GLY 37 0.468 9.035 -18.460 276 HA2 GLY 37 HA2 GLY 37 0.417 9.753 -20.845 277 HA3 GLY 37 HA3 GLY 37 2.104 9.268 -20.911 278 H PHE 38 H PHE 38 0.235 8.277 -22.697 279 HA PHE 38 HA PHE 38 -1.011 5.888 -22.025 280 HB2 PHE 38 HB2 PHE 38 0.205 6.824 -24.623 281 HB3 PHE 38 HB3 PHE 38 -0.691 5.316 -24.483 282 HD1 PHE 38 HD2 PHE 38 -3.075 5.528 -23.423 283 HD2 PHE 38 HD1 PHE 38 -0.922 8.746 -25.191 284 HE1 PHE 38 HE2 PHE 38 -5.184 6.749 -23.762 285 HE2 PHE 38 HE1 PHE 38 -3.027 9.972 -25.532 286 HZ PHE 38 HZ PHE 38 -5.162 8.974 -24.817 287 H ARG 39 H ARG 39 -0.095 4.217 -21.030 288 HA ARG 39 HA ARG 39 2.322 3.053 -22.189 289 HB2 ARG 39 HB2 ARG 39 2.010 3.655 -19.242 290 HB3 ARG 39 HB3 ARG 39 3.328 2.738 -19.960 291 HG2 ARG 39 HG2 ARG 39 3.493 5.000 -21.406 292 HG3 ARG 39 HG3 ARG 39 2.857 5.640 -19.889 293 HD2 ARG 39 HD2 ARG 39 4.727 5.043 -18.696 294 HD3 ARG 39 HD3 ARG 39 5.137 3.727 -19.795 295 HE ARG 39 HE ARG 39 5.512 5.906 -21.328 296 HH11 ARG 39 HH11 ARG 39 6.598 5.061 -18.131 297 HH12 ARG 39 HH12 ARG 39 8.068 5.971 -18.247 298 HH21 ARG 39 HH21 ARG 39 7.444 7.108 -21.494 299 HH22 ARG 39 HH22 ARG 39 8.547 7.136 -20.161 300 H THR 40 H THR 40 2.781 0.974 -20.584 301 HA THR 40 HA THR 40 0.392 -0.374 -19.755 302 HB THR 40 HB THR 40 0.270 -0.605 -22.246 303 HG1 THR 40 HG1 THR 40 -0.540 -2.570 -21.967 304 HG21 THR 40 HG21 THR 40 2.698 -2.366 -21.906 305 HG22 THR 40 HG22 THR 40 2.734 -0.746 -22.604 306 HG23 THR 40 HG23 THR 40 1.827 -2.031 -23.401 307 H LEU 41 H LEU 41 0.946 -2.805 -19.357 308 HA LEU 41 HA LEU 41 3.620 -2.876 -18.130 309 HB2 LEU 41 HB2 LEU 41 1.254 -4.591 -17.413 310 HB3 LEU 41 HB3 LEU 41 2.756 -4.399 -16.513 311 HG LEU 41 HG LEU 41 0.552 -2.366 -16.829 312 HD11 LEU 41 HD11 LEU 41 0.553 -4.417 -15.147 313 HD12 LEU 41 HD12 LEU 41 -0.055 -2.826 -14.689 314 HD13 LEU 41 HD13 LEU 41 1.570 -3.319 -14.213 315 HD21 LEU 41 HD21 LEU 41 2.157 -1.262 -15.012 316 HD22 LEU 41 HD22 LEU 41 2.304 -0.927 -16.737 317 HD23 LEU 41 HD23 LEU 41 3.375 -2.102 -15.973 318 H ASN 42 H ASN 42 4.699 -4.980 -18.052 319 HA ASN 42 HA ASN 42 3.950 -6.749 -20.281 320 HB2 ASN 42 HB2 ASN 42 6.788 -5.953 -19.602 321 HB3 ASN 42 HB3 ASN 42 6.262 -6.948 -20.957 322 HD21 ASN 42 HD21 ASN 42 4.663 -5.849 -22.434 323 HD22 ASN 42 HD22 ASN 42 4.982 -4.196 -22.826 324 H GLU 43 H GLU 43 3.914 -8.855 -19.795 325 HA GLU 43 HA GLU 43 4.045 -9.820 -17.213 326 HB2 GLU 43 HB2 GLU 43 2.955 -11.048 -19.008 327 HB3 GLU 43 HB3 GLU 43 4.502 -11.317 -19.799 328 HG2 GLU 43 HG2 GLU 43 5.198 -12.548 -17.696 329 HG3 GLU 43 HG3 GLU 43 3.499 -12.497 -17.230 330 H GLY 44 H GLY 44 5.652 -10.196 -15.841 331 HA2 GLY 44 HA2 GLY 44 7.743 -11.288 -15.331 332 HA3 GLY 44 HA3 GLY 44 8.314 -10.839 -16.932 333 H GLU 45 H GLU 45 6.949 -8.117 -16.325 334 HA GLU 45 HA GLU 45 9.355 -6.908 -15.257 335 HB2 GLU 45 HB2 GLU 45 8.068 -6.004 -17.240 336 HB3 GLU 45 HB3 GLU 45 6.818 -5.513 -16.105 337 HG2 GLU 45 HG2 GLU 45 7.961 -3.720 -15.450 338 HG3 GLU 45 HG3 GLU 45 9.475 -4.615 -15.331 339 H HIS 46 H HIS 46 9.306 -5.327 -13.533 340 HA HIS 46 HA HIS 46 7.546 -6.184 -11.372 341 HB2 HIS 46 HB2 HIS 46 9.717 -4.139 -11.057 342 HB3 HIS 46 HB3 HIS 46 9.110 -5.303 -9.884 343 HD1 HIS 46 HD1 HIS 46 10.226 -7.576 -9.804 344 HD2 HIS 46 HD2 HIS 46 11.545 -5.222 -12.962 345 HE1 HIS 46 HE1 HIS 46 12.219 -8.781 -10.754 346 H VAL 47 H VAL 47 6.102 -4.879 -10.325 347 HA VAL 47 HA VAL 47 5.924 -2.059 -10.941 348 HB VAL 47 HB VAL 47 3.611 -2.135 -11.738 349 HG11 VAL 47 HG11 VAL 47 5.366 -3.899 -13.439 350 HG12 VAL 47 HG12 VAL 47 4.054 -2.852 -13.982 351 HG13 VAL 47 HG13 VAL 47 5.532 -2.147 -13.326 352 HG21 VAL 47 HG21 VAL 47 2.497 -4.169 -12.297 353 HG22 VAL 47 HG22 VAL 47 3.937 -5.124 -11.945 354 HG23 VAL 47 HG23 VAL 47 3.069 -4.321 -10.636 355 H GLU 48 H GLU 48 4.833 -0.906 -9.393 356 HA GLU 48 HA GLU 48 4.213 -2.340 -6.953 357 HB2 GLU 48 HB2 GLU 48 5.536 -0.184 -7.035 358 HB3 GLU 48 HB3 GLU 48 4.032 0.633 -7.436 359 HG2 GLU 48 HG2 GLU 48 3.067 0.059 -5.340 360 HG3 GLU 48 HG3 GLU 48 4.408 -1.018 -4.953 361 H PHE 49 H PHE 49 2.241 -1.820 -5.716 362 HA PHE 49 HA PHE 49 -0.045 -0.774 -7.082 363 HB2 PHE 49 HB2 PHE 49 -1.359 -2.824 -7.167 364 HB3 PHE 49 HB3 PHE 49 0.104 -3.007 -8.129 365 HD1 PHE 49 HD1 PHE 49 2.074 -4.225 -7.072 366 HD2 PHE 49 HD2 PHE 49 -1.872 -4.342 -5.482 367 HE1 PHE 49 HE1 PHE 49 2.643 -6.265 -5.820 368 HE2 PHE 49 HE2 PHE 49 -1.310 -6.381 -4.226 369 HZ PHE 49 HZ PHE 49 0.950 -7.346 -4.395 370 H GLU 50 H GLU 50 -1.453 -0.003 -5.630 371 HA GLU 50 HA GLU 50 -1.021 -0.699 -2.818 372 HB2 GLU 50 HB2 GLU 50 -1.555 1.737 -4.196 373 HB3 GLU 50 HB3 GLU 50 -2.904 1.420 -3.115 374 HG2 GLU 50 HG2 GLU 50 -0.142 1.139 -2.057 375 HG3 GLU 50 HG3 GLU 50 -0.790 2.757 -2.319 376 H VAL 51 H VAL 51 -2.190 -2.518 -2.436 377 HA VAL 51 HA VAL 51 -4.733 -3.084 -3.512 378 HB VAL 51 HB VAL 51 -4.882 -4.868 -1.887 379 HG11 VAL 51 HG11 VAL 51 -3.341 -6.082 -2.952 380 HG12 VAL 51 HG12 VAL 51 -2.873 -4.582 -3.755 381 HG13 VAL 51 HG13 VAL 51 -2.016 -5.113 -2.308 382 HG21 VAL 51 HG21 VAL 51 -3.006 -5.087 -0.186 383 HG22 VAL 51 HG22 VAL 51 -2.661 -3.387 -0.504 384 HG23 VAL 51 HG23 VAL 51 -4.232 -3.861 0.142 385 H GLU 52 H GLU 52 -6.682 -2.334 -3.012 386 HA GLU 52 HA GLU 52 -7.008 -0.888 -0.467 387 HB2 GLU 52 HB2 GLU 52 -8.031 -0.400 -3.217 388 HB3 GLU 52 HB3 GLU 52 -9.088 0.017 -1.876 389 HG2 GLU 52 HG2 GLU 52 -6.316 1.067 -2.383 390 HG3 GLU 52 HG3 GLU 52 -7.833 1.950 -2.538 391 HA PRO 53 HA PRO 53 -10.148 -3.642 0.872 392 HB2 PRO 53 HB2 PRO 53 -11.939 -1.966 2.035 393 HB3 PRO 53 HB3 PRO 53 -10.363 -2.333 2.747 394 HG2 PRO 53 HG2 PRO 53 -11.208 0.051 1.146 395 HG3 PRO 53 HG3 PRO 53 -10.218 -0.016 2.616 396 HD2 PRO 53 HD2 PRO 53 -9.143 0.265 0.147 397 HD3 PRO 53 HD3 PRO 53 -8.313 -0.599 1.458 398 H GLY 54 H GLY 54 -12.479 -1.101 0.502 399 HA2 GLY 54 HA2 GLY 54 -14.053 -2.762 -1.267 400 HA3 GLY 54 HA3 GLY 54 -14.536 -1.221 -0.573 401 H ARG 55 H ARG 55 -12.075 -2.436 -2.855 402 HA ARG 55 HA ARG 55 -12.899 -0.313 -4.715 403 HB2 ARG 55 HB2 ARG 55 -10.787 0.307 -3.546 404 HB3 ARG 55 HB3 ARG 55 -10.039 -1.144 -4.201 405 HG2 ARG 55 HG2 ARG 55 -9.333 0.498 -5.659 406 HG3 ARG 55 HG3 ARG 55 -10.730 -0.184 -6.496 407 HD2 ARG 55 HD2 ARG 55 -12.081 1.662 -5.346 408 HD3 ARG 55 HD3 ARG 55 -10.523 2.404 -4.987 409 HE ARG 55 HE ARG 55 -10.404 1.954 -7.655 410 HH11 ARG 55 HH11 ARG 55 -12.708 3.544 -5.585 411 HH12 ARG 55 HH12 ARG 55 -13.220 4.668 -6.799 412 HH21 ARG 55 HH21 ARG 55 -11.070 3.429 -9.262 413 HH22 ARG 55 HH22 ARG 55 -12.288 4.602 -8.891 414 H GLY 56 H GLY 56 -11.279 -3.429 -4.284 415 HA2 GLY 56 HA2 GLY 56 -11.690 -4.004 -7.140 416 HA3 GLY 56 HA3 GLY 56 -10.591 -4.867 -6.075 417 H GLY 57 H GLY 57 -12.797 -5.804 -7.856 418 HA2 GLY 57 HA2 GLY 57 -15.081 -6.596 -6.550 419 HA3 GLY 57 HA3 GLY 57 -14.289 -7.553 -7.792 420 H LYS 58 H LYS 58 -12.019 -8.416 -6.663 421 HA LYS 58 HA LYS 58 -12.970 -10.393 -4.817 422 HB2 LYS 58 HB2 LYS 58 -10.146 -9.831 -5.742 423 HB3 LYS 58 HB3 LYS 58 -10.695 -11.285 -4.919 424 HG2 LYS 58 HG2 LYS 58 -11.540 -10.357 -7.656 425 HG3 LYS 58 HG3 LYS 58 -10.450 -11.695 -7.288 426 HD2 LYS 58 HD2 LYS 58 -13.350 -11.525 -6.468 427 HD3 LYS 58 HD3 LYS 58 -12.725 -12.466 -7.824 428 HE2 LYS 58 HE2 LYS 58 -11.227 -13.618 -6.111 429 HE3 LYS 58 HE3 LYS 58 -12.251 -12.875 -4.884 430 HZ1 LYS 58 HZ1 LYS 58 -13.008 -14.869 -6.933 431 HZ2 LYS 58 HZ2 LYS 58 -14.166 -13.946 -6.116 432 HZ3 LYS 58 HZ3 LYS 58 -13.151 -14.986 -5.252 433 H GLY 59 H GLY 59 -11.746 -7.266 -4.480 434 HA2 GLY 59 HA2 GLY 59 -11.997 -6.472 -2.107 435 HA3 GLY 59 HA3 GLY 59 -10.944 -7.815 -1.690 436 HA PRO 60 HA PRO 60 -7.401 -5.290 -2.175 437 HB2 PRO 60 HB2 PRO 60 -5.598 -7.005 -3.262 438 HB3 PRO 60 HB3 PRO 60 -6.133 -7.112 -1.581 439 HG2 PRO 60 HG2 PRO 60 -7.041 -8.684 -3.961 440 HG3 PRO 60 HG3 PRO 60 -6.683 -9.247 -2.318 441 HD2 PRO 60 HD2 PRO 60 -9.210 -8.823 -3.195 442 HD3 PRO 60 HD3 PRO 60 -8.731 -8.569 -1.505 443 H GLN 61 H GLN 61 -7.498 -3.675 -3.625 444 HA GLN 61 HA GLN 61 -7.225 -4.356 -6.478 445 HB2 GLN 61 HB2 GLN 61 -9.358 -3.312 -6.071 446 HB3 GLN 61 HB3 GLN 61 -8.599 -2.007 -5.168 447 HG2 GLN 61 HG2 GLN 61 -9.161 -1.149 -7.297 448 HG3 GLN 61 HG3 GLN 61 -7.411 -1.360 -7.271 449 HE21 GLN 61 HE21 GLN 61 -7.154 -1.541 -9.454 450 HE22 GLN 61 HE22 GLN 61 -7.743 -2.879 -10.375 451 H ALA 62 H ALA 62 -5.889 -3.033 -7.780 452 HA ALA 62 HA ALA 62 -3.567 -2.041 -6.385 453 HB1 ALA 62 HB1 ALA 62 -2.933 -3.180 -8.279 454 HB2 ALA 62 HB2 ALA 62 -4.268 -2.544 -9.241 455 HB3 ALA 62 HB3 ALA 62 -2.890 -1.513 -8.853 456 H LYS 63 H LYS 63 -5.352 -0.410 -5.463 457 HA LYS 63 HA LYS 63 -6.344 1.749 -6.755 458 HB2 LYS 63 HB2 LYS 63 -6.713 1.566 -4.417 459 HB3 LYS 63 HB3 LYS 63 -4.989 1.600 -4.067 460 HG2 LYS 63 HG2 LYS 63 -6.157 3.697 -3.490 461 HG3 LYS 63 HG3 LYS 63 -4.854 3.920 -4.659 462 HD2 LYS 63 HD2 LYS 63 -6.849 5.208 -5.268 463 HD3 LYS 63 HD3 LYS 63 -6.475 3.978 -6.477 464 HE2 LYS 63 HE2 LYS 63 -8.408 2.904 -6.134 465 HE3 LYS 63 HE3 LYS 63 -8.263 3.024 -4.381 466 HZ1 LYS 63 HZ1 LYS 63 -8.830 5.547 -5.013 467 HZ2 LYS 63 HZ2 LYS 63 -10.007 4.397 -4.624 468 HZ3 LYS 63 HZ3 LYS 63 -9.668 4.746 -6.244 469 H LYS 64 H LYS 64 -3.005 1.490 -5.548 470 HA LYS 64 HA LYS 64 -2.263 3.632 -7.432 471 HB2 LYS 64 HB2 LYS 64 -2.024 3.695 -4.671 472 HB3 LYS 64 HB3 LYS 64 -0.411 3.250 -5.211 473 HG2 LYS 64 HG2 LYS 64 -0.184 5.499 -5.271 474 HG3 LYS 64 HG3 LYS 64 -0.840 5.261 -6.892 475 HD2 LYS 64 HD2 LYS 64 -2.547 5.856 -4.482 476 HD3 LYS 64 HD3 LYS 64 -1.910 7.105 -5.554 477 HE2 LYS 64 HE2 LYS 64 -3.003 5.639 -7.423 478 HE3 LYS 64 HE3 LYS 64 -3.966 5.006 -6.089 479 HZ1 LYS 64 HZ1 LYS 64 -3.912 7.718 -7.215 480 HZ2 LYS 64 HZ2 LYS 64 -4.325 7.514 -5.588 481 HZ3 LYS 64 HZ3 LYS 64 -5.239 6.758 -6.794 482 H VAL 65 H VAL 65 -1.449 2.511 -9.117 483 HA VAL 65 HA VAL 65 0.534 0.411 -8.564 484 HB VAL 65 HB VAL 65 -1.553 0.681 -10.551 485 HG11 VAL 65 HG11 VAL 65 1.240 0.149 -11.554 486 HG12 VAL 65 HG12 VAL 65 -0.233 -0.202 -12.459 487 HG13 VAL 65 HG13 VAL 65 0.168 1.463 -12.038 488 HG21 VAL 65 HG21 VAL 65 -0.869 -1.241 -8.943 489 HG22 VAL 65 HG22 VAL 65 -1.484 -1.633 -10.549 490 HG23 VAL 65 HG23 VAL 65 0.250 -1.684 -10.232 491 H ARG 66 H ARG 66 2.571 0.481 -9.454 492 HA ARG 66 HA ARG 66 3.287 2.889 -10.980 493 HB2 ARG 66 HB2 ARG 66 4.970 1.732 -8.755 494 HB3 ARG 66 HB3 ARG 66 5.294 3.193 -9.678 495 HG2 ARG 66 HG2 ARG 66 2.728 3.480 -8.532 496 HG3 ARG 66 HG3 ARG 66 3.813 2.890 -7.271 497 HD2 ARG 66 HD2 ARG 66 4.538 5.187 -9.067 498 HD3 ARG 66 HD3 ARG 66 3.633 5.415 -7.571 499 HE ARG 66 HE ARG 66 6.435 4.824 -7.832 500 HH11 ARG 66 HH11 ARG 66 3.650 4.660 -5.749 501 HH12 ARG 66 HH12 ARG 66 4.583 4.611 -4.290 502 HH21 ARG 66 HH21 ARG 66 7.673 4.761 -5.918 503 HH22 ARG 66 HH22 ARG 66 6.871 4.670 -4.387 504 H ARG 67 H ARG 67 5.159 2.679 -12.316 505 HA ARG 67 HA ARG 67 5.521 -0.046 -13.277 506 HB2 ARG 67 HB2 ARG 67 6.516 0.946 -15.234 507 HB3 ARG 67 HB3 ARG 67 5.031 1.811 -14.859 508 HG2 ARG 67 HG2 ARG 67 6.567 3.462 -13.614 509 HG3 ARG 67 HG3 ARG 67 7.864 2.710 -14.545 510 HD2 ARG 67 HD2 ARG 67 6.665 3.240 -16.619 511 HD3 ARG 67 HD3 ARG 67 5.389 4.009 -15.677 512 HE ARG 67 HE ARG 67 7.927 5.127 -16.371 513 HH11 ARG 67 HH11 ARG 67 5.389 5.147 -13.988 514 HH12 ARG 67 HH12 ARG 67 5.739 6.753 -13.439 515 HH21 ARG 67 HH21 ARG 67 8.398 7.242 -15.657 516 HH22 ARG 67 HH22 ARG 67 7.450 7.944 -14.390 517 H ILE 68 H ILE 68 7.354 -1.205 -13.101 518 HA ILE 68 HA ILE 68 9.799 0.116 -12.180 519 HB ILE 68 HB ILE 68 8.833 -2.423 -10.878 520 HG12 ILE 68 HG12 ILE 68 8.235 0.421 -10.241 521 HG13 ILE 68 HG13 ILE 68 7.256 -1.019 -9.984 522 HG21 ILE 68 HG21 ILE 68 11.290 -1.822 -10.942 523 HG22 ILE 68 HG22 ILE 68 10.886 -0.455 -9.905 524 HG23 ILE 68 HG23 ILE 68 10.599 -2.101 -9.344 525 HD11 ILE 68 HD11 ILE 68 9.511 0.022 -8.306 526 HD12 ILE 68 HD12 ILE 68 7.828 -0.247 -7.849 527 HD13 ILE 68 HD13 ILE 68 8.891 -1.622 -8.147 Start of MODEL 6 1 H1 MET 1 H MET 1 1.604 -0.420 0.676 2 HA MET 1 HA MET 1 1.726 0.149 -2.204 3 HB2 MET 1 HB2 MET 1 4.095 1.002 -1.755 4 HB3 MET 1 HB3 MET 1 2.762 2.060 -1.309 5 HG2 MET 1 HG2 MET 1 2.970 1.272 1.023 6 HG3 MET 1 HG3 MET 1 4.375 0.324 0.542 7 HE1 MET 1 HE1 MET 1 6.595 2.093 2.119 8 HE2 MET 1 HE2 MET 1 6.302 0.799 0.957 9 HE3 MET 1 HE3 MET 1 7.198 2.237 0.467 10 H LYS 2 H LYS 2 1.767 -1.975 -2.822 11 HA LYS 2 HA LYS 2 3.963 -3.627 -1.761 12 HB2 LYS 2 HB2 LYS 2 1.448 -4.553 -3.161 13 HB3 LYS 2 HB3 LYS 2 2.679 -5.580 -2.438 14 HG2 LYS 2 HG2 LYS 2 0.990 -3.615 -0.904 15 HG3 LYS 2 HG3 LYS 2 0.632 -5.336 -1.064 16 HD2 LYS 2 HD2 LYS 2 3.113 -5.577 -0.194 17 HD3 LYS 2 HD3 LYS 2 2.791 -3.974 0.469 18 HE2 LYS 2 HE2 LYS 2 0.795 -6.149 0.889 19 HE3 LYS 2 HE3 LYS 2 2.268 -6.142 1.857 20 HZ1 LYS 2 HZ1 LYS 2 1.137 -4.773 3.183 21 HZ2 LYS 2 HZ2 LYS 2 -0.034 -4.425 2.013 22 HZ3 LYS 2 HZ3 LYS 2 1.431 -3.579 2.020 23 H LYS 3 H LYS 3 5.558 -4.213 -3.089 24 HA LYS 3 HA LYS 3 5.239 -3.640 -5.959 25 HB2 LYS 3 HB2 LYS 3 7.821 -3.890 -4.410 26 HB3 LYS 3 HB3 LYS 3 7.631 -3.331 -6.067 27 HG2 LYS 3 HG2 LYS 3 7.317 -1.249 -5.388 28 HG3 LYS 3 HG3 LYS 3 6.016 -1.745 -4.304 29 HD2 LYS 3 HD2 LYS 3 7.393 -1.876 -2.489 30 HD3 LYS 3 HD3 LYS 3 8.804 -2.314 -3.455 31 HE2 LYS 3 HE2 LYS 3 9.460 -0.202 -3.089 32 HE3 LYS 3 HE3 LYS 3 8.287 0.214 -4.337 33 HZ1 LYS 3 HZ1 LYS 3 7.624 1.586 -2.661 34 HZ2 LYS 3 HZ2 LYS 3 8.097 0.527 -1.431 35 HZ3 LYS 3 HZ3 LYS 3 6.673 0.236 -2.295 36 H GLY 4 H GLY 4 5.470 -5.231 -7.422 37 HA2 GLY 4 HA2 GLY 4 6.979 -7.608 -6.927 38 HA3 GLY 4 HA3 GLY 4 5.252 -7.900 -6.789 39 H THR 5 H THR 5 6.538 -9.302 -8.658 40 HA THR 5 HA THR 5 6.622 -7.988 -11.201 41 HB THR 5 HB THR 5 6.654 -10.475 -12.011 42 HG1 THR 5 HG1 THR 5 5.969 -11.384 -10.026 43 HG21 THR 5 HG21 THR 5 9.096 -10.618 -11.111 44 HG22 THR 5 HG22 THR 5 8.771 -8.995 -10.501 45 HG23 THR 5 HG23 THR 5 8.655 -9.327 -12.228 46 H VAL 6 H VAL 6 5.288 -8.577 -13.045 47 HA VAL 6 HA VAL 6 2.491 -8.960 -12.244 48 HB VAL 6 HB VAL 6 3.123 -6.908 -13.543 49 HG11 VAL 6 HG11 VAL 6 4.112 -6.979 -15.556 50 HG12 VAL 6 HG12 VAL 6 4.589 -8.611 -15.083 51 HG13 VAL 6 HG13 VAL 6 3.159 -8.365 -16.086 52 HG21 VAL 6 HG21 VAL 6 1.017 -8.846 -14.266 53 HG22 VAL 6 HG22 VAL 6 0.884 -7.171 -13.730 54 HG23 VAL 6 HG23 VAL 6 1.289 -7.530 -15.408 55 H LYS 7 H LYS 7 1.294 -10.638 -12.946 56 HA LYS 7 HA LYS 7 2.662 -12.816 -14.265 57 HB2 LYS 7 HB2 LYS 7 0.674 -12.682 -12.368 58 HB3 LYS 7 HB3 LYS 7 -0.219 -13.116 -13.819 59 HG2 LYS 7 HG2 LYS 7 0.565 -15.200 -13.806 60 HG3 LYS 7 HG3 LYS 7 2.217 -14.671 -13.482 61 HD2 LYS 7 HD2 LYS 7 1.486 -16.015 -11.638 62 HD3 LYS 7 HD3 LYS 7 1.567 -14.337 -11.097 63 HE2 LYS 7 HE2 LYS 7 -0.467 -14.989 -10.241 64 HE3 LYS 7 HE3 LYS 7 -0.951 -14.298 -11.789 65 HZ1 LYS 7 HZ1 LYS 7 -0.859 -17.113 -10.959 66 HZ2 LYS 7 HZ2 LYS 7 -0.645 -16.736 -12.594 67 HZ3 LYS 7 HZ3 LYS 7 -2.068 -16.281 -11.801 68 H TRP 8 H TRP 8 0.090 -10.527 -14.988 69 HA TRP 8 HA TRP 8 0.487 -10.758 -17.785 70 HB2 TRP 8 HB2 TRP 8 -1.546 -11.809 -18.476 71 HB3 TRP 8 HB3 TRP 8 -0.791 -12.876 -17.295 72 HD1 TRP 8 HD1 TRP 8 -3.595 -10.197 -17.412 73 HE1 TRP 8 HE1 TRP 8 -5.390 -10.856 -15.690 74 HE3 TRP 8 HE3 TRP 8 -1.308 -14.296 -15.385 75 HZ2 TRP 8 HZ2 TRP 8 -5.784 -12.850 -13.730 76 HZ3 TRP 8 HZ3 TRP 8 -2.461 -15.523 -13.590 77 HH2 TRP 8 HH2 TRP 8 -4.653 -14.812 -12.781 78 H PHE 9 H PHE 9 -0.486 -9.096 -18.909 79 HA PHE 9 HA PHE 9 -2.366 -7.383 -17.452 80 HB2 PHE 9 HB2 PHE 9 -0.073 -6.478 -17.134 81 HB3 PHE 9 HB3 PHE 9 0.088 -6.342 -18.882 82 HD1 PHE 9 HD2 PHE 9 -1.584 -5.011 -15.903 83 HD2 PHE 9 HD1 PHE 9 -1.005 -4.594 -20.099 84 HE1 PHE 9 HE2 PHE 9 -2.595 -2.770 -15.816 85 HE2 PHE 9 HE1 PHE 9 -2.015 -2.352 -20.019 86 HZ PHE 9 HZ PHE 9 -2.813 -1.437 -17.876 87 H ASN 10 H ASN 10 -4.106 -7.663 -18.730 88 HA ASN 10 HA ASN 10 -3.859 -7.737 -21.611 89 HB2 ASN 10 HB2 ASN 10 -5.512 -9.100 -20.185 90 HB3 ASN 10 HB3 ASN 10 -6.447 -7.611 -20.074 91 HD21 ASN 10 HD21 ASN 10 -8.160 -7.973 -21.313 92 HD22 ASN 10 HD22 ASN 10 -8.110 -8.464 -22.969 93 H ALA 11 H ALA 11 -3.623 -5.915 -22.717 94 HA ALA 11 HA ALA 11 -4.548 -3.384 -21.663 95 HB1 ALA 11 HB1 ALA 11 -2.357 -3.746 -22.892 96 HB2 ALA 11 HB2 ALA 11 -3.319 -3.837 -24.368 97 HB3 ALA 11 HB3 ALA 11 -3.328 -2.364 -23.399 98 H GLU 12 H GLU 12 -5.632 -5.772 -23.910 99 HA GLU 12 HA GLU 12 -7.259 -4.236 -25.584 100 HB2 GLU 12 HB2 GLU 12 -7.197 -7.092 -24.744 101 HB3 GLU 12 HB3 GLU 12 -8.652 -6.507 -25.539 102 HG2 GLU 12 HG2 GLU 12 -7.137 -5.645 -27.374 103 HG3 GLU 12 HG3 GLU 12 -5.855 -6.591 -26.620 104 H LYS 13 H LYS 13 -7.876 -5.621 -22.401 105 HA LYS 13 HA LYS 13 -10.553 -4.423 -22.391 106 HB2 LYS 13 HB2 LYS 13 -9.239 -6.491 -20.632 107 HB3 LYS 13 HB3 LYS 13 -10.780 -5.748 -20.227 108 HG2 LYS 13 HG2 LYS 13 -10.384 -7.073 -22.878 109 HG3 LYS 13 HG3 LYS 13 -10.759 -8.023 -21.438 110 HD2 LYS 13 HD2 LYS 13 -12.629 -6.101 -21.225 111 HD3 LYS 13 HD3 LYS 13 -12.451 -6.155 -22.980 112 HE2 LYS 13 HE2 LYS 13 -13.240 -8.302 -23.130 113 HE3 LYS 13 HE3 LYS 13 -12.713 -8.724 -21.502 114 HZ1 LYS 13 HZ1 LYS 13 -14.834 -8.461 -20.938 115 HZ2 LYS 13 HZ2 LYS 13 -15.229 -7.686 -22.388 116 HZ3 LYS 13 HZ3 LYS 13 -14.588 -6.795 -21.100 117 H GLY 14 H GLY 14 -7.471 -4.399 -20.675 118 HA2 GLY 14 HA2 GLY 14 -6.618 -2.377 -19.720 119 HA3 GLY 14 HA3 GLY 14 -8.272 -1.847 -19.453 120 H TYR 15 H TYR 15 -6.693 -4.918 -18.627 121 HA TYR 15 HA TYR 15 -6.848 -4.255 -15.792 122 HB2 TYR 15 HB2 TYR 15 -8.180 -6.117 -15.178 123 HB3 TYR 15 HB3 TYR 15 -9.026 -5.350 -16.518 124 HD1 TYR 15 HD2 TYR 15 -7.047 -8.270 -15.488 125 HD2 TYR 15 HD1 TYR 15 -9.263 -6.466 -18.640 126 HE1 TYR 15 HE2 TYR 15 -7.066 -10.414 -16.693 127 HE2 TYR 15 HE1 TYR 15 -9.290 -8.605 -19.854 128 HH TYR 15 HH TYR 15 -7.421 -11.353 -18.775 129 H GLY 16 H GLY 16 -5.906 -6.113 -14.454 130 HA2 GLY 16 HA2 GLY 16 -4.207 -8.024 -15.666 131 HA3 GLY 16 HA3 GLY 16 -3.278 -6.590 -15.254 132 H PHE 17 H PHE 17 -2.408 -8.724 -14.043 133 HA PHE 17 HA PHE 17 -3.351 -8.409 -11.283 134 HB2 PHE 17 HB2 PHE 17 -3.000 -10.988 -12.791 135 HB3 PHE 17 HB3 PHE 17 -2.865 -10.936 -11.037 136 HD1 PHE 17 HD1 PHE 17 -5.158 -10.027 -13.819 137 HD2 PHE 17 HD2 PHE 17 -4.762 -11.124 -9.725 138 HE1 PHE 17 HE1 PHE 17 -7.605 -10.200 -13.632 139 HE2 PHE 17 HE2 PHE 17 -7.209 -11.299 -9.532 140 HZ PHE 17 HZ PHE 17 -8.634 -10.838 -11.488 141 H ILE 18 H ILE 18 -1.768 -8.357 -9.764 142 HA ILE 18 HA ILE 18 0.994 -8.771 -10.709 143 HB ILE 18 HB ILE 18 0.065 -6.784 -8.631 144 HG12 ILE 18 HG12 ILE 18 1.311 -6.016 -11.239 145 HG13 ILE 18 HG13 ILE 18 -0.397 -6.439 -11.209 146 HG21 ILE 18 HG21 ILE 18 2.258 -7.501 -8.083 147 HG22 ILE 18 HG22 ILE 18 2.776 -7.424 -9.767 148 HG23 ILE 18 HG23 ILE 18 2.423 -5.938 -8.885 149 HD11 ILE 18 HD11 ILE 18 -0.573 -4.211 -10.870 150 HD12 ILE 18 HD12 ILE 18 -0.385 -4.718 -9.191 151 HD13 ILE 18 HD13 ILE 18 1.001 -4.091 -10.084 152 H GLN 19 H GLN 19 2.508 -9.601 -9.211 153 HA GLN 19 HA GLN 19 1.306 -10.921 -6.867 154 HB2 GLN 19 HB2 GLN 19 3.394 -11.995 -8.767 155 HB3 GLN 19 HB3 GLN 19 2.971 -12.757 -7.240 156 HG2 GLN 19 HG2 GLN 19 1.830 -13.878 -9.019 157 HG3 GLN 19 HG3 GLN 19 0.652 -13.002 -8.044 158 HE21 GLN 19 HE21 GLN 19 -0.888 -12.777 -9.595 159 HE22 GLN 19 HE22 GLN 19 -0.681 -11.824 -11.021 160 H GLN 20 H GLN 20 2.114 -10.171 -5.033 161 HA GLN 20 HA GLN 20 4.800 -8.987 -5.041 162 HB2 GLN 20 HB2 GLN 20 4.142 -7.831 -3.010 163 HB3 GLN 20 HB3 GLN 20 2.946 -7.553 -4.269 164 HG2 GLN 20 HG2 GLN 20 1.318 -8.633 -3.154 165 HG3 GLN 20 HG3 GLN 20 2.422 -9.836 -2.489 166 HE21 GLN 20 HE21 GLN 20 4.203 -8.437 -1.098 167 HE22 GLN 20 HE22 GLN 20 3.448 -7.537 0.168 168 H GLU 21 H GLU 21 5.427 -9.100 -2.379 169 HA GLU 21 HA GLU 21 6.493 -11.700 -2.130 170 HB2 GLU 21 HB2 GLU 21 6.769 -9.194 -0.810 171 HB3 GLU 21 HB3 GLU 21 6.453 -10.414 0.416 172 HG2 GLU 21 HG2 GLU 21 8.323 -11.735 -0.380 173 HG3 GLU 21 HG3 GLU 21 8.621 -10.567 -1.666 174 H GLU 22 H GLU 22 3.565 -10.220 -0.966 175 HA GLU 22 HA GLU 22 2.833 -11.773 1.160 176 HB2 GLU 22 HB2 GLU 22 1.284 -10.496 -1.051 177 HB3 GLU 22 HB3 GLU 22 0.440 -11.576 0.050 178 HG2 GLU 22 HG2 GLU 22 2.114 -9.300 1.048 179 HG3 GLU 22 HG3 GLU 22 0.428 -9.086 0.581 180 H GLY 23 H GLY 23 1.551 -12.498 -2.084 181 HA2 GLY 23 HA2 GLY 23 2.434 -15.022 -2.522 182 HA3 GLY 23 HA3 GLY 23 1.151 -15.260 -1.345 183 HA PRO 24 HA PRO 24 -1.966 -15.066 -4.418 184 HB2 PRO 24 HB2 PRO 24 -3.810 -13.321 -3.456 185 HB3 PRO 24 HB3 PRO 24 -3.554 -14.927 -2.763 186 HG2 PRO 24 HG2 PRO 24 -2.533 -12.274 -1.825 187 HG3 PRO 24 HG3 PRO 24 -3.209 -13.611 -0.877 188 HD2 PRO 24 HD2 PRO 24 -0.545 -13.167 -1.075 189 HD3 PRO 24 HD3 PRO 24 -1.231 -14.795 -0.902 190 H ASP 25 H ASP 25 -3.087 -13.755 -6.032 191 HA ASP 25 HA ASP 25 -1.398 -11.642 -7.010 192 HB2 ASP 25 HB2 ASP 25 -4.042 -12.264 -8.256 193 HB3 ASP 25 HB3 ASP 25 -2.506 -11.872 -9.024 194 H VAL 26 H VAL 26 -2.810 -9.750 -8.114 195 HA VAL 26 HA VAL 26 -4.681 -8.693 -6.114 196 HB VAL 26 HB VAL 26 -2.168 -7.812 -6.038 197 HG11 VAL 26 HG11 VAL 26 -1.650 -6.059 -7.436 198 HG12 VAL 26 HG12 VAL 26 -2.553 -7.110 -8.530 199 HG13 VAL 26 HG13 VAL 26 -3.340 -5.710 -7.801 200 HG21 VAL 26 HG21 VAL 26 -3.788 -7.071 -4.476 201 HG22 VAL 26 HG22 VAL 26 -3.108 -5.619 -5.210 202 HG23 VAL 26 HG23 VAL 26 -4.692 -6.203 -5.717 203 H PHE 27 H PHE 27 -6.159 -7.141 -6.901 204 HA PHE 27 HA PHE 27 -6.745 -7.448 -9.720 205 HB2 PHE 27 HB2 PHE 27 -8.374 -7.363 -7.600 206 HB3 PHE 27 HB3 PHE 27 -8.377 -5.649 -8.004 207 HD1 PHE 27 HD1 PHE 27 -9.243 -9.018 -9.181 208 HD2 PHE 27 HD2 PHE 27 -9.469 -4.841 -9.967 209 HE1 PHE 27 HE1 PHE 27 -10.923 -9.441 -10.928 210 HE2 PHE 27 HE2 PHE 27 -11.151 -5.257 -11.714 211 HZ PHE 27 HZ PHE 27 -11.881 -7.559 -12.196 212 H VAL 28 H VAL 28 -5.895 -6.135 -11.181 213 HA VAL 28 HA VAL 28 -5.512 -3.299 -10.474 214 HB VAL 28 HB VAL 28 -3.398 -3.243 -11.237 215 HG11 VAL 28 HG11 VAL 28 -3.291 -5.067 -9.659 216 HG12 VAL 28 HG12 VAL 28 -3.714 -6.226 -10.921 217 HG13 VAL 28 HG13 VAL 28 -2.171 -5.373 -10.986 218 HG21 VAL 28 HG21 VAL 28 -3.903 -3.486 -13.541 219 HG22 VAL 28 HG22 VAL 28 -2.607 -4.630 -13.191 220 HG23 VAL 28 HG23 VAL 28 -4.268 -5.201 -13.352 221 H HIS 29 H HIS 29 -6.009 -1.782 -12.031 222 HA HIS 29 HA HIS 29 -6.921 -2.694 -14.648 223 HB2 HIS 29 HB2 HIS 29 -8.672 -1.670 -12.502 224 HB3 HIS 29 HB3 HIS 29 -8.919 -0.939 -14.085 225 HD1 HIS 29 HD1 HIS 29 -10.507 -2.150 -15.536 226 HD2 HIS 29 HD2 HIS 29 -8.777 -4.660 -12.713 227 HE1 HIS 29 HE1 HIS 29 -11.615 -4.385 -15.854 228 H PHE 30 H PHE 30 -7.335 -0.871 -16.137 229 HA PHE 30 HA PHE 30 -5.210 0.944 -16.156 230 HB2 PHE 30 HB2 PHE 30 -7.496 0.336 -17.826 231 HB3 PHE 30 HB3 PHE 30 -7.206 2.072 -17.764 232 HD1 PHE 30 HD1 PHE 30 -5.595 -1.181 -18.494 233 HD2 PHE 30 HD2 PHE 30 -5.468 3.044 -18.988 234 HE1 PHE 30 HE1 PHE 30 -3.783 -1.431 -20.140 235 HE2 PHE 30 HE2 PHE 30 -3.656 2.801 -20.635 236 HZ PHE 30 HZ PHE 30 -2.811 0.561 -21.212 237 H THR 31 H THR 31 -8.228 1.073 -14.551 238 HA THR 31 HA THR 31 -8.246 3.961 -14.278 239 HB THR 31 HB THR 31 -10.002 2.141 -12.668 240 HG1 THR 31 HG1 THR 31 -10.279 2.770 -15.434 241 HG21 THR 31 HG21 THR 31 -10.641 4.235 -12.093 242 HG22 THR 31 HG22 THR 31 -11.552 4.148 -13.601 243 HG23 THR 31 HG23 THR 31 -9.983 4.951 -13.564 244 H ALA 32 H ALA 32 -6.422 1.635 -12.937 245 HA ALA 32 HA ALA 32 -6.290 3.008 -10.331 246 HB1 ALA 32 HB1 ALA 32 -6.948 0.428 -10.617 247 HB2 ALA 32 HB2 ALA 32 -5.193 0.273 -10.540 248 HB3 ALA 32 HB3 ALA 32 -6.067 1.050 -9.221 249 H ILE 33 H ILE 33 -4.578 1.880 -13.121 250 HA ILE 33 HA ILE 33 -1.947 1.917 -12.188 251 HB ILE 33 HB ILE 33 -3.078 2.499 -14.918 252 HG12 ILE 33 HG12 ILE 33 -1.339 0.168 -14.283 253 HG13 ILE 33 HG13 ILE 33 -2.978 0.153 -13.642 254 HG21 ILE 33 HG21 ILE 33 -0.245 2.552 -13.963 255 HG22 ILE 33 HG22 ILE 33 -0.621 2.051 -15.611 256 HG23 ILE 33 HG23 ILE 33 -1.079 3.659 -15.053 257 HD11 ILE 33 HD11 ILE 33 -3.659 -0.636 -15.589 258 HD12 ILE 33 HD12 ILE 33 -3.213 0.903 -16.326 259 HD13 ILE 33 HD13 ILE 33 -2.053 -0.425 -16.286 260 H GLU 34 H GLU 34 -0.600 3.493 -11.598 261 HA GLU 34 HA GLU 34 -1.461 6.271 -12.018 262 HB2 GLU 34 HB2 GLU 34 0.406 5.066 -9.971 263 HB3 GLU 34 HB3 GLU 34 0.123 6.792 -10.150 264 HG2 GLU 34 HG2 GLU 34 -2.244 5.049 -9.793 265 HG3 GLU 34 HG3 GLU 34 -1.195 5.303 -8.400 266 H ALA 35 H ALA 35 -0.623 6.596 -14.076 267 HA ALA 35 HA ALA 35 2.309 6.790 -14.178 268 HB1 ALA 35 HB1 ALA 35 0.736 5.951 -16.589 269 HB2 ALA 35 HB2 ALA 35 2.467 5.800 -16.283 270 HB3 ALA 35 HB3 ALA 35 1.326 4.768 -15.421 271 H ASP 36 H ASP 36 2.993 8.156 -16.127 272 HA ASP 36 HA ASP 36 1.136 10.429 -16.388 273 HB2 ASP 36 HB2 ASP 36 4.022 10.295 -15.764 274 HB3 ASP 36 HB3 ASP 36 3.552 11.543 -16.915 275 H GLY 37 H GLY 37 0.275 9.312 -18.277 276 HA2 GLY 37 HA2 GLY 37 0.352 10.068 -20.649 277 HA3 GLY 37 HA3 GLY 37 2.046 9.604 -20.626 278 H PHE 38 H PHE 38 2.471 7.728 -21.559 279 HA PHE 38 HA PHE 38 0.334 5.885 -22.164 280 HB2 PHE 38 HB2 PHE 38 3.294 5.760 -22.774 281 HB3 PHE 38 HB3 PHE 38 2.089 4.632 -23.388 282 HD1 PHE 38 HD2 PHE 38 -0.035 5.987 -24.452 283 HD2 PHE 38 HD1 PHE 38 4.002 7.323 -24.278 284 HE1 PHE 38 HE2 PHE 38 -0.448 7.472 -26.370 285 HE2 PHE 38 HE1 PHE 38 3.596 8.811 -26.196 286 HZ PHE 38 HZ PHE 38 1.369 8.885 -27.245 287 H ARG 39 H ARG 39 -0.334 4.505 -20.660 288 HA ARG 39 HA ARG 39 1.629 3.377 -18.788 289 HB2 ARG 39 HB2 ARG 39 -0.452 2.676 -17.509 290 HB3 ARG 39 HB3 ARG 39 -0.128 4.402 -17.585 291 HG2 ARG 39 HG2 ARG 39 -1.841 3.394 -19.736 292 HG3 ARG 39 HG3 ARG 39 -2.522 3.244 -18.115 293 HD2 ARG 39 HD2 ARG 39 -1.320 5.801 -19.145 294 HD3 ARG 39 HD3 ARG 39 -3.021 5.394 -19.367 295 HE ARG 39 HE ARG 39 -1.735 6.226 -16.925 296 HH11 ARG 39 HH11 ARG 39 -4.473 4.606 -18.339 297 HH12 ARG 39 HH12 ARG 39 -5.499 4.865 -16.968 298 HH21 ARG 39 HH21 ARG 39 -3.076 6.573 -15.114 299 HH22 ARG 39 HH22 ARG 39 -4.704 5.985 -15.134 300 H THR 40 H THR 40 2.275 1.353 -19.064 301 HA THR 40 HA THR 40 0.476 -0.715 -19.936 302 HB THR 40 HB THR 40 2.899 -0.329 -21.674 303 HG1 THR 40 HG1 THR 40 1.897 1.212 -22.707 304 HG21 THR 40 HG21 THR 40 0.350 -1.593 -22.548 305 HG22 THR 40 HG22 THR 40 1.375 -2.482 -21.421 306 HG23 THR 40 HG23 THR 40 2.012 -1.983 -22.988 307 H LEU 41 H LEU 41 1.075 -2.651 -19.137 308 HA LEU 41 HA LEU 41 3.722 -2.812 -17.862 309 HB2 LEU 41 HB2 LEU 41 1.135 -4.215 -17.225 310 HB3 LEU 41 HB3 LEU 41 2.677 -4.604 -16.466 311 HG LEU 41 HG LEU 41 2.692 -2.122 -15.749 312 HD11 LEU 41 HD11 LEU 41 0.176 -2.286 -17.118 313 HD12 LEU 41 HD12 LEU 41 0.983 -0.881 -16.421 314 HD13 LEU 41 HD13 LEU 41 -0.078 -1.874 -15.422 315 HD21 LEU 41 HD21 LEU 41 2.077 -4.378 -14.464 316 HD22 LEU 41 HD22 LEU 41 0.518 -3.562 -14.345 317 HD23 LEU 41 HD23 LEU 41 1.970 -2.790 -13.705 318 H ASN 42 H ASN 42 4.785 -4.907 -17.848 319 HA ASN 42 HA ASN 42 4.021 -6.626 -20.111 320 HB2 ASN 42 HB2 ASN 42 6.900 -6.079 -19.432 321 HB3 ASN 42 HB3 ASN 42 6.226 -6.734 -20.921 322 HD21 ASN 42 HD21 ASN 42 5.682 -5.385 -22.528 323 HD22 ASN 42 HD22 ASN 42 5.801 -3.664 -22.446 324 H GLU 43 H GLU 43 3.994 -8.751 -19.689 325 HA GLU 43 HA GLU 43 4.074 -9.776 -17.128 326 HB2 GLU 43 HB2 GLU 43 3.015 -10.967 -18.961 327 HB3 GLU 43 HB3 GLU 43 4.571 -11.205 -19.745 328 HG2 GLU 43 HG2 GLU 43 5.278 -12.531 -17.747 329 HG3 GLU 43 HG3 GLU 43 3.616 -12.425 -17.169 330 H GLY 44 H GLY 44 5.607 -10.553 -15.788 331 HA2 GLY 44 HA2 GLY 44 7.687 -11.490 -15.205 332 HA3 GLY 44 HA3 GLY 44 8.284 -11.109 -16.814 333 H GLU 45 H GLU 45 6.938 -8.335 -16.195 334 HA GLU 45 HA GLU 45 9.400 -7.162 -15.198 335 HB2 GLU 45 HB2 GLU 45 8.163 -6.247 -17.186 336 HB3 GLU 45 HB3 GLU 45 6.881 -5.754 -16.088 337 HG2 GLU 45 HG2 GLU 45 8.032 -3.989 -15.323 338 HG3 GLU 45 HG3 GLU 45 9.569 -4.852 -15.335 339 H HIS 46 H HIS 46 9.353 -5.479 -13.537 340 HA HIS 46 HA HIS 46 7.630 -6.286 -11.325 341 HB2 HIS 46 HB2 HIS 46 9.724 -4.194 -10.993 342 HB3 HIS 46 HB3 HIS 46 9.244 -5.486 -9.898 343 HD1 HIS 46 HD1 HIS 46 10.356 -7.802 -10.236 344 HD2 HIS 46 HD2 HIS 46 11.730 -4.854 -12.821 345 HE1 HIS 46 HE1 HIS 46 12.440 -8.742 -11.281 346 H VAL 47 H VAL 47 6.196 -4.954 -10.299 347 HA VAL 47 HA VAL 47 6.003 -2.153 -10.991 348 HB VAL 47 HB VAL 47 3.687 -2.253 -11.768 349 HG11 VAL 47 HG11 VAL 47 5.405 -4.083 -13.436 350 HG12 VAL 47 HG12 VAL 47 4.109 -3.021 -13.991 351 HG13 VAL 47 HG13 VAL 47 5.608 -2.332 -13.366 352 HG21 VAL 47 HG21 VAL 47 2.565 -4.303 -12.255 353 HG22 VAL 47 HG22 VAL 47 4.006 -5.248 -11.879 354 HG23 VAL 47 HG23 VAL 47 3.148 -4.399 -10.593 355 H GLU 48 H GLU 48 4.918 -0.960 -9.469 356 HA GLU 48 HA GLU 48 4.313 -2.337 -6.987 357 HB2 GLU 48 HB2 GLU 48 5.664 -0.215 -7.092 358 HB3 GLU 48 HB3 GLU 48 4.191 0.626 -7.554 359 HG2 GLU 48 HG2 GLU 48 3.208 0.312 -5.472 360 HG3 GLU 48 HG3 GLU 48 4.309 -0.996 -5.044 361 H PHE 49 H PHE 49 2.358 -1.736 -5.743 362 HA PHE 49 HA PHE 49 0.077 -0.670 -7.070 363 HB2 PHE 49 HB2 PHE 49 -1.268 -2.697 -7.214 364 HB3 PHE 49 HB3 PHE 49 0.185 -2.867 -8.194 365 HD1 PHE 49 HD1 PHE 49 2.016 -4.326 -7.452 366 HD2 PHE 49 HD2 PHE 49 -1.661 -4.087 -5.322 367 HE1 PHE 49 HE1 PHE 49 2.565 -6.416 -6.275 368 HE2 PHE 49 HE2 PHE 49 -1.118 -6.176 -4.142 369 HZ PHE 49 HZ PHE 49 0.998 -7.343 -4.617 370 H GLU 50 H GLU 50 -1.229 0.142 -5.562 371 HA GLU 50 HA GLU 50 -0.817 -0.677 -2.786 372 HB2 GLU 50 HB2 GLU 50 -1.823 1.775 -4.136 373 HB3 GLU 50 HB3 GLU 50 -2.466 1.411 -2.541 374 HG2 GLU 50 HG2 GLU 50 0.028 1.146 -1.879 375 HG3 GLU 50 HG3 GLU 50 0.327 2.080 -3.344 376 H VAL 51 H VAL 51 -2.028 -2.438 -2.355 377 HA VAL 51 HA VAL 51 -4.543 -3.024 -3.461 378 HB VAL 51 HB VAL 51 -4.771 -4.696 -1.690 379 HG11 VAL 51 HG11 VAL 51 -1.980 -5.196 -2.130 380 HG12 VAL 51 HG12 VAL 51 -3.384 -5.987 -2.849 381 HG13 VAL 51 HG13 VAL 51 -2.714 -4.534 -3.591 382 HG21 VAL 51 HG21 VAL 51 -2.852 -4.889 -0.041 383 HG22 VAL 51 HG22 VAL 51 -2.437 -3.233 -0.481 384 HG23 VAL 51 HG23 VAL 51 -4.005 -3.585 0.246 385 H GLU 52 H GLU 52 -6.467 -2.151 -3.105 386 HA GLU 52 HA GLU 52 -6.864 -0.572 -0.656 387 HB2 GLU 52 HB2 GLU 52 -7.568 -0.160 -3.434 388 HB3 GLU 52 HB3 GLU 52 -8.990 -0.065 -2.405 389 HG2 GLU 52 HG2 GLU 52 -7.626 2.072 -2.899 390 HG3 GLU 52 HG3 GLU 52 -8.214 1.774 -1.264 391 HA PRO 53 HA PRO 53 -9.950 -3.279 0.891 392 HB2 PRO 53 HB2 PRO 53 -11.737 -1.543 1.969 393 HB3 PRO 53 HB3 PRO 53 -10.151 -1.857 2.684 394 HG2 PRO 53 HG2 PRO 53 -11.029 0.418 0.948 395 HG3 PRO 53 HG3 PRO 53 -10.022 0.448 2.407 396 HD2 PRO 53 HD2 PRO 53 -8.977 0.580 -0.088 397 HD3 PRO 53 HD3 PRO 53 -8.127 -0.196 1.264 398 H GLY 54 H GLY 54 -12.308 -0.788 0.403 399 HA2 GLY 54 HA2 GLY 54 -13.863 -2.563 -1.280 400 HA3 GLY 54 HA3 GLY 54 -14.387 -1.020 -0.621 401 H ARG 55 H ARG 55 -11.919 -2.221 -2.903 402 HA ARG 55 HA ARG 55 -12.848 -0.198 -4.821 403 HB2 ARG 55 HB2 ARG 55 -10.696 0.435 -3.569 404 HB3 ARG 55 HB3 ARG 55 -9.930 -0.856 -4.486 405 HG2 ARG 55 HG2 ARG 55 -9.502 1.161 -5.641 406 HG3 ARG 55 HG3 ARG 55 -10.722 0.290 -6.573 407 HD2 ARG 55 HD2 ARG 55 -12.378 1.710 -5.102 408 HD3 ARG 55 HD3 ARG 55 -10.979 2.773 -4.945 409 HE ARG 55 HE ARG 55 -11.374 3.478 -7.071 410 HH11 ARG 55 HH11 ARG 55 -12.798 0.326 -6.680 411 HH12 ARG 55 HH12 ARG 55 -13.502 0.304 -8.263 412 HH21 ARG 55 HH21 ARG 55 -12.296 3.462 -9.158 413 HH22 ARG 55 HH22 ARG 55 -13.215 2.088 -9.672 414 H GLY 56 H GLY 56 -11.042 -3.196 -4.291 415 HA2 GLY 56 HA2 GLY 56 -11.346 -3.880 -7.128 416 HA3 GLY 56 HA3 GLY 56 -10.303 -4.701 -5.977 417 H GLY 57 H GLY 57 -12.373 -5.732 -7.848 418 HA2 GLY 57 HA2 GLY 57 -14.735 -6.499 -6.677 419 HA3 GLY 57 HA3 GLY 57 -13.844 -7.502 -7.813 420 H LYS 58 H LYS 58 -11.697 -8.363 -6.543 421 HA LYS 58 HA LYS 58 -12.769 -10.201 -4.621 422 HB2 LYS 58 HB2 LYS 58 -9.997 -9.757 -5.724 423 HB3 LYS 58 HB3 LYS 58 -10.348 -10.978 -4.508 424 HG2 LYS 58 HG2 LYS 58 -11.994 -10.972 -6.975 425 HG3 LYS 58 HG3 LYS 58 -10.324 -11.531 -7.092 426 HD2 LYS 58 HD2 LYS 58 -11.176 -13.517 -6.475 427 HD3 LYS 58 HD3 LYS 58 -11.172 -12.824 -4.851 428 HE2 LYS 58 HE2 LYS 58 -13.436 -12.460 -4.855 429 HE3 LYS 58 HE3 LYS 58 -13.520 -12.319 -6.610 430 HZ1 LYS 58 HZ1 LYS 58 -14.329 -14.465 -5.256 431 HZ2 LYS 58 HZ2 LYS 58 -12.737 -14.922 -5.599 432 HZ3 LYS 58 HZ3 LYS 58 -13.792 -14.522 -6.860 433 H GLY 59 H GLY 59 -11.607 -7.079 -4.388 434 HA2 GLY 59 HA2 GLY 59 -11.880 -6.173 -2.072 435 HA3 GLY 59 HA3 GLY 59 -10.835 -7.492 -1.565 436 HA PRO 60 HA PRO 60 -7.289 -4.977 -2.085 437 HB2 PRO 60 HB2 PRO 60 -5.451 -6.746 -3.015 438 HB3 PRO 60 HB3 PRO 60 -6.036 -6.756 -1.347 439 HG2 PRO 60 HG2 PRO 60 -6.869 -8.470 -3.656 440 HG3 PRO 60 HG3 PRO 60 -6.559 -8.934 -1.973 441 HD2 PRO 60 HD2 PRO 60 -9.059 -8.571 -2.948 442 HD3 PRO 60 HD3 PRO 60 -8.631 -8.216 -1.262 443 H GLN 61 H GLN 61 -7.352 -3.452 -3.631 444 HA GLN 61 HA GLN 61 -7.015 -4.298 -6.432 445 HB2 GLN 61 HB2 GLN 61 -9.091 -2.881 -5.465 446 HB3 GLN 61 HB3 GLN 61 -7.990 -1.562 -5.842 447 HG2 GLN 61 HG2 GLN 61 -7.777 -2.804 -8.135 448 HG3 GLN 61 HG3 GLN 61 -9.327 -3.497 -7.662 449 HE21 GLN 61 HE21 GLN 61 -10.850 -2.484 -8.755 450 HE22 GLN 61 HE22 GLN 61 -10.996 -0.773 -8.946 451 H ALA 62 H ALA 62 -5.815 -2.777 -7.818 452 HA ALA 62 HA ALA 62 -3.396 -1.917 -6.474 453 HB1 ALA 62 HB1 ALA 62 -4.205 -2.356 -9.306 454 HB2 ALA 62 HB2 ALA 62 -2.822 -1.315 -8.965 455 HB3 ALA 62 HB3 ALA 62 -2.821 -2.990 -8.414 456 H LYS 63 H LYS 63 -5.139 -0.290 -5.451 457 HA LYS 63 HA LYS 63 -6.121 1.926 -6.659 458 HB2 LYS 63 HB2 LYS 63 -6.357 1.521 -4.268 459 HB3 LYS 63 HB3 LYS 63 -4.643 1.831 -4.023 460 HG2 LYS 63 HG2 LYS 63 -6.227 3.699 -3.413 461 HG3 LYS 63 HG3 LYS 63 -4.885 4.126 -4.477 462 HD2 LYS 63 HD2 LYS 63 -7.013 5.126 -5.207 463 HD3 LYS 63 HD3 LYS 63 -6.346 4.021 -6.410 464 HE2 LYS 63 HE2 LYS 63 -7.872 2.275 -5.674 465 HE3 LYS 63 HE3 LYS 63 -8.509 3.337 -4.420 466 HZ1 LYS 63 HZ1 LYS 63 -9.859 4.312 -5.869 467 HZ2 LYS 63 HZ2 LYS 63 -9.478 3.075 -6.959 468 HZ3 LYS 63 HZ3 LYS 63 -8.629 4.537 -7.009 469 H LYS 64 H LYS 64 -2.751 1.451 -5.661 470 HA LYS 64 HA LYS 64 -2.006 3.679 -7.437 471 HB2 LYS 64 HB2 LYS 64 -0.542 2.983 -4.892 472 HB3 LYS 64 HB3 LYS 64 -0.315 4.398 -5.911 473 HG2 LYS 64 HG2 LYS 64 -2.993 3.970 -4.707 474 HG3 LYS 64 HG3 LYS 64 -1.680 4.502 -3.655 475 HD2 LYS 64 HD2 LYS 64 -2.447 6.538 -4.339 476 HD3 LYS 64 HD3 LYS 64 -1.292 6.223 -5.637 477 HE2 LYS 64 HE2 LYS 64 -2.961 5.681 -7.158 478 HE3 LYS 64 HE3 LYS 64 -4.138 5.333 -5.894 479 HZ1 LYS 64 HZ1 LYS 64 -3.084 8.051 -6.438 480 HZ2 LYS 64 HZ2 LYS 64 -4.389 7.634 -5.445 481 HZ3 LYS 64 HZ3 LYS 64 -4.511 7.452 -7.123 482 H VAL 65 H VAL 65 -1.375 2.441 -9.158 483 HA VAL 65 HA VAL 65 0.617 0.338 -8.695 484 HB VAL 65 HB VAL 65 -1.535 0.646 -10.571 485 HG11 VAL 65 HG11 VAL 65 0.101 1.567 -12.100 486 HG12 VAL 65 HG12 VAL 65 1.191 0.213 -11.790 487 HG13 VAL 65 HG13 VAL 65 -0.346 -0.060 -12.612 488 HG21 VAL 65 HG21 VAL 65 -0.833 -1.336 -9.142 489 HG22 VAL 65 HG22 VAL 65 -1.309 -1.687 -10.803 490 HG23 VAL 65 HG23 VAL 65 0.399 -1.647 -10.366 491 H ARG 66 H ARG 66 2.649 0.408 -9.557 492 HA ARG 66 HA ARG 66 3.383 2.786 -11.121 493 HB2 ARG 66 HB2 ARG 66 5.137 1.664 -8.941 494 HB3 ARG 66 HB3 ARG 66 5.328 3.180 -9.812 495 HG2 ARG 66 HG2 ARG 66 2.992 3.720 -8.746 496 HG3 ARG 66 HG3 ARG 66 3.490 2.493 -7.579 497 HD2 ARG 66 HD2 ARG 66 5.371 3.730 -6.917 498 HD3 ARG 66 HD3 ARG 66 5.286 4.776 -8.334 499 HE ARG 66 HE ARG 66 3.001 4.940 -6.579 500 HH11 ARG 66 HH11 ARG 66 6.165 6.181 -7.336 501 HH12 ARG 66 HH12 ARG 66 5.899 7.702 -6.548 502 HH21 ARG 66 HH21 ARG 66 2.640 6.938 -5.540 503 HH22 ARG 66 HH22 ARG 66 3.894 8.131 -5.527 504 H ARG 67 H ARG 67 5.259 2.541 -12.448 505 HA ARG 67 HA ARG 67 5.607 -0.207 -13.353 506 HB2 ARG 67 HB2 ARG 67 5.123 1.742 -14.915 507 HB3 ARG 67 HB3 ARG 67 6.767 2.281 -14.601 508 HG2 ARG 67 HG2 ARG 67 7.631 0.177 -15.491 509 HG3 ARG 67 HG3 ARG 67 5.981 -0.365 -15.805 510 HD2 ARG 67 HD2 ARG 67 5.661 1.532 -17.329 511 HD3 ARG 67 HD3 ARG 67 7.321 2.046 -17.026 512 HE ARG 67 HE ARG 67 7.361 -0.609 -17.911 513 HH11 ARG 67 HH11 ARG 67 6.615 2.577 -19.099 514 HH12 ARG 67 HH12 ARG 67 7.034 2.205 -20.739 515 HH21 ARG 67 HH21 ARG 67 7.915 -1.111 -20.066 516 HH22 ARG 67 HH22 ARG 67 7.773 0.108 -21.288 517 H ILE 68 H ILE 68 7.421 -1.372 -13.107 518 HA ILE 68 HA ILE 68 9.877 -0.025 -12.246 519 HB ILE 68 HB ILE 68 8.692 -2.426 -10.847 520 HG12 ILE 68 HG12 ILE 68 8.032 0.178 -10.444 521 HG13 ILE 68 HG13 ILE 68 7.990 -1.053 -9.187 522 HG21 ILE 68 HG21 ILE 68 11.335 -1.023 -10.519 523 HG22 ILE 68 HG22 ILE 68 10.661 -2.124 -9.318 524 HG23 ILE 68 HG23 ILE 68 11.051 -2.713 -10.934 525 HD11 ILE 68 HD11 ILE 68 9.126 1.113 -8.598 526 HD12 ILE 68 HD12 ILE 68 10.060 -0.355 -8.306 527 HD13 ILE 68 HD13 ILE 68 10.407 0.645 -9.716 Start of MODEL 7 1 H1 MET 1 H MET 1 0.323 0.113 0.181 2 HA MET 1 HA MET 1 1.736 0.051 -2.025 3 HB2 MET 1 HB2 MET 1 2.057 1.502 0.139 4 HB3 MET 1 HB3 MET 1 3.395 0.402 0.441 5 HG2 MET 1 HG2 MET 1 4.653 1.247 -1.228 6 HG3 MET 1 HG3 MET 1 3.261 1.583 -2.256 7 HE1 MET 1 HE1 MET 1 5.001 2.307 0.910 8 HE2 MET 1 HE2 MET 1 5.306 4.044 0.877 9 HE3 MET 1 HE3 MET 1 3.818 3.423 1.595 10 H LYS 2 H LYS 2 1.819 -2.173 -2.712 11 HA LYS 2 HA LYS 2 4.143 -3.623 -1.621 12 HB2 LYS 2 HB2 LYS 2 1.716 -4.817 -2.973 13 HB3 LYS 2 HB3 LYS 2 3.069 -5.706 -2.284 14 HG2 LYS 2 HG2 LYS 2 1.064 -4.036 -0.783 15 HG3 LYS 2 HG3 LYS 2 1.187 -5.797 -0.788 16 HD2 LYS 2 HD2 LYS 2 3.594 -5.397 0.068 17 HD3 LYS 2 HD3 LYS 2 3.016 -3.776 0.462 18 HE2 LYS 2 HE2 LYS 2 2.797 -5.179 2.403 19 HE3 LYS 2 HE3 LYS 2 1.189 -4.804 1.785 20 HZ1 LYS 2 HZ1 LYS 2 2.210 -7.189 0.622 21 HZ2 LYS 2 HZ2 LYS 2 0.774 -6.947 1.483 22 HZ3 LYS 2 HZ3 LYS 2 2.207 -7.300 2.311 23 H LYS 3 H LYS 3 5.519 -4.679 -3.091 24 HA LYS 3 HA LYS 3 5.201 -3.860 -5.903 25 HB2 LYS 3 HB2 LYS 3 7.825 -4.074 -4.421 26 HB3 LYS 3 HB3 LYS 3 7.586 -3.508 -6.069 27 HG2 LYS 3 HG2 LYS 3 6.581 -1.512 -5.354 28 HG3 LYS 3 HG3 LYS 3 6.339 -2.125 -3.717 29 HD2 LYS 3 HD2 LYS 3 8.567 -1.856 -3.148 30 HD3 LYS 3 HD3 LYS 3 9.105 -1.894 -4.829 31 HE2 LYS 3 HE2 LYS 3 9.251 0.335 -4.607 32 HE3 LYS 3 HE3 LYS 3 7.501 0.303 -4.824 33 HZ1 LYS 3 HZ1 LYS 3 7.719 -0.134 -2.195 34 HZ2 LYS 3 HZ2 LYS 3 7.509 1.397 -2.883 35 HZ3 LYS 3 HZ3 LYS 3 9.057 0.870 -2.451 36 H GLY 4 H GLY 4 5.297 -5.458 -7.354 37 HA2 GLY 4 HA2 GLY 4 6.913 -7.801 -6.956 38 HA3 GLY 4 HA3 GLY 4 5.195 -8.124 -6.772 39 H THR 5 H THR 5 6.376 -9.502 -8.689 40 HA THR 5 HA THR 5 6.461 -8.183 -11.219 41 HB THR 5 HB THR 5 6.335 -10.642 -12.065 42 HG1 THR 5 HG1 THR 5 5.580 -11.573 -10.132 43 HG21 THR 5 HG21 THR 5 8.731 -10.993 -11.408 44 HG22 THR 5 HG22 THR 5 8.594 -9.568 -10.378 45 HG23 THR 5 HG23 THR 5 8.391 -9.418 -12.123 46 H VAL 6 H VAL 6 5.063 -8.713 -13.049 47 HA VAL 6 HA VAL 6 2.259 -8.897 -12.196 48 HB VAL 6 HB VAL 6 2.960 -6.886 -13.490 49 HG11 VAL 6 HG11 VAL 6 4.034 -6.992 -15.446 50 HG12 VAL 6 HG12 VAL 6 4.340 -8.684 -15.048 51 HG13 VAL 6 HG13 VAL 6 2.964 -8.250 -16.063 52 HG21 VAL 6 HG21 VAL 6 0.836 -8.755 -14.433 53 HG22 VAL 6 HG22 VAL 6 0.685 -7.202 -13.610 54 HG23 VAL 6 HG23 VAL 6 1.121 -7.257 -15.318 55 H LYS 7 H LYS 7 0.997 -10.552 -12.782 56 HA LYS 7 HA LYS 7 2.161 -12.822 -14.086 57 HB2 LYS 7 HB2 LYS 7 -0.060 -12.326 -12.398 58 HB3 LYS 7 HB3 LYS 7 -0.690 -13.043 -13.874 59 HG2 LYS 7 HG2 LYS 7 0.661 -14.977 -13.613 60 HG3 LYS 7 HG3 LYS 7 1.583 -14.231 -12.305 61 HD2 LYS 7 HD2 LYS 7 -1.334 -14.381 -11.897 62 HD3 LYS 7 HD3 LYS 7 -0.482 -15.927 -11.917 63 HE2 LYS 7 HE2 LYS 7 0.208 -13.559 -10.179 64 HE3 LYS 7 HE3 LYS 7 -0.659 -15.000 -9.651 65 HZ1 LYS 7 HZ1 LYS 7 1.576 -15.295 -9.027 66 HZ2 LYS 7 HZ2 LYS 7 2.160 -14.804 -10.536 67 HZ3 LYS 7 HZ3 LYS 7 1.354 -16.283 -10.382 68 H TRP 8 H TRP 8 -0.191 -10.345 -14.960 69 HA TRP 8 HA TRP 8 0.341 -10.570 -17.719 70 HB2 TRP 8 HB2 TRP 8 -1.877 -11.435 -18.456 71 HB3 TRP 8 HB3 TRP 8 -0.901 -12.640 -17.621 72 HD1 TRP 8 HD1 TRP 8 -3.739 -10.145 -16.701 73 HE1 TRP 8 HE1 TRP 8 -5.262 -11.291 -14.971 74 HE3 TRP 8 HE3 TRP 8 -1.187 -14.542 -16.160 75 HZ2 TRP 8 HZ2 TRP 8 -5.367 -13.736 -13.564 76 HZ3 TRP 8 HZ3 TRP 8 -2.066 -16.231 -14.602 77 HH2 TRP 8 HH2 TRP 8 -4.112 -15.835 -13.331 78 H PHE 9 H PHE 9 -0.599 -8.912 -18.905 79 HA PHE 9 HA PHE 9 -2.598 -7.230 -17.611 80 HB2 PHE 9 HB2 PHE 9 -0.618 -6.181 -16.803 81 HB3 PHE 9 HB3 PHE 9 0.169 -6.300 -18.373 82 HD1 PHE 9 HD2 PHE 9 -2.535 -4.603 -16.513 83 HD2 PHE 9 HD1 PHE 9 -0.084 -4.616 -19.994 84 HE1 PHE 9 HE2 PHE 9 -3.328 -2.343 -17.076 85 HE2 PHE 9 HE1 PHE 9 -0.873 -2.356 -20.561 86 HZ PHE 9 HZ PHE 9 -2.498 -1.217 -19.102 87 H ASN 10 H ASN 10 -4.098 -7.523 -19.181 88 HA ASN 10 HA ASN 10 -3.374 -7.306 -21.980 89 HB2 ASN 10 HB2 ASN 10 -5.098 -8.939 -21.003 90 HB3 ASN 10 HB3 ASN 10 -6.173 -7.549 -20.888 91 HD21 ASN 10 HD21 ASN 10 -7.632 -7.864 -22.424 92 HD22 ASN 10 HD22 ASN 10 -7.286 -8.160 -24.091 93 H ALA 11 H ALA 11 -3.001 -5.304 -22.699 94 HA ALA 11 HA ALA 11 -4.206 -2.969 -21.623 95 HB1 ALA 11 HB1 ALA 11 -2.424 -2.116 -22.635 96 HB2 ALA 11 HB2 ALA 11 -2.181 -3.596 -23.564 97 HB3 ALA 11 HB3 ALA 11 -3.253 -2.337 -24.177 98 H GLU 12 H GLU 12 -5.150 -5.223 -24.054 99 HA GLU 12 HA GLU 12 -6.823 -3.586 -25.617 100 HB2 GLU 12 HB2 GLU 12 -6.760 -6.542 -25.068 101 HB3 GLU 12 HB3 GLU 12 -8.010 -5.831 -26.079 102 HG2 GLU 12 HG2 GLU 12 -5.141 -5.270 -26.663 103 HG3 GLU 12 HG3 GLU 12 -5.856 -6.805 -27.152 104 H LYS 13 H LYS 13 -7.331 -5.279 -22.588 105 HA LYS 13 HA LYS 13 -10.122 -4.367 -22.531 106 HB2 LYS 13 HB2 LYS 13 -8.630 -6.490 -21.004 107 HB3 LYS 13 HB3 LYS 13 -10.197 -5.899 -20.467 108 HG2 LYS 13 HG2 LYS 13 -9.632 -7.155 -23.146 109 HG3 LYS 13 HG3 LYS 13 -10.379 -7.964 -21.766 110 HD2 LYS 13 HD2 LYS 13 -12.050 -5.941 -21.893 111 HD3 LYS 13 HD3 LYS 13 -11.483 -5.853 -23.562 112 HE2 LYS 13 HE2 LYS 13 -13.183 -7.313 -23.889 113 HE3 LYS 13 HE3 LYS 13 -11.953 -8.481 -23.406 114 HZ1 LYS 13 HZ1 LYS 13 -13.263 -7.408 -21.133 115 HZ2 LYS 13 HZ2 LYS 13 -13.137 -9.020 -21.629 116 HZ3 LYS 13 HZ3 LYS 13 -14.398 -8.053 -22.209 117 H GLY 14 H GLY 14 -7.080 -4.238 -20.745 118 HA2 GLY 14 HA2 GLY 14 -6.383 -2.319 -19.539 119 HA3 GLY 14 HA3 GLY 14 -8.066 -1.838 -19.381 120 H TYR 15 H TYR 15 -6.465 -4.916 -18.614 121 HA TYR 15 HA TYR 15 -6.844 -4.446 -15.769 122 HB2 TYR 15 HB2 TYR 15 -8.247 -6.300 -15.360 123 HB3 TYR 15 HB3 TYR 15 -8.974 -5.477 -16.736 124 HD1 TYR 15 HD1 TYR 15 -8.055 -6.364 -19.096 125 HD2 TYR 15 HD2 TYR 15 -8.085 -8.595 -15.472 126 HE1 TYR 15 HE1 TYR 15 -7.985 -8.455 -20.389 127 HE2 TYR 15 HE2 TYR 15 -8.014 -10.692 -16.756 128 HH TYR 15 HH TYR 15 -7.107 -10.948 -19.812 129 H GLY 16 H GLY 16 -5.730 -5.988 -14.428 130 HA2 GLY 16 HA2 GLY 16 -4.077 -8.013 -15.624 131 HA3 GLY 16 HA3 GLY 16 -3.167 -6.586 -15.152 132 H PHE 17 H PHE 17 -2.329 -8.724 -13.941 133 HA PHE 17 HA PHE 17 -3.385 -8.467 -11.217 134 HB2 PHE 17 HB2 PHE 17 -3.037 -10.991 -12.796 135 HB3 PHE 17 HB3 PHE 17 -2.821 -11.022 -11.049 136 HD1 PHE 17 HD1 PHE 17 -5.248 -9.835 -13.618 137 HD2 PHE 17 HD2 PHE 17 -4.649 -11.434 -9.719 138 HE1 PHE 17 HE1 PHE 17 -7.683 -10.025 -13.325 139 HE2 PHE 17 HE2 PHE 17 -7.084 -11.628 -9.421 140 HZ PHE 17 HZ PHE 17 -8.605 -10.922 -11.225 141 H ILE 18 H ILE 18 -1.863 -8.422 -9.639 142 HA ILE 18 HA ILE 18 0.935 -8.841 -10.469 143 HB ILE 18 HB ILE 18 -0.106 -6.799 -8.502 144 HG12 ILE 18 HG12 ILE 18 1.400 -6.129 -10.996 145 HG13 ILE 18 HG13 ILE 18 -0.311 -6.520 -11.121 146 HG21 ILE 18 HG21 ILE 18 2.008 -7.540 -7.727 147 HG22 ILE 18 HG22 ILE 18 2.685 -7.528 -9.354 148 HG23 ILE 18 HG23 ILE 18 2.286 -6.008 -8.555 149 HD11 ILE 18 HD11 ILE 18 -0.500 -4.291 -10.845 150 HD12 ILE 18 HD12 ILE 18 -0.431 -4.741 -9.141 151 HD13 ILE 18 HD13 ILE 18 1.019 -4.159 -9.959 152 H GLN 19 H GLN 19 2.343 -9.782 -8.988 153 HA GLN 19 HA GLN 19 1.083 -10.937 -6.589 154 HB2 GLN 19 HB2 GLN 19 2.496 -12.942 -6.926 155 HB3 GLN 19 HB3 GLN 19 1.348 -12.691 -8.235 156 HG2 GLN 19 HG2 GLN 19 3.952 -11.447 -8.686 157 HG3 GLN 19 HG3 GLN 19 4.006 -13.202 -8.536 158 HE21 GLN 19 HE21 GLN 19 1.423 -11.192 -9.842 159 HE22 GLN 19 HE22 GLN 19 1.486 -11.835 -11.444 160 H GLN 20 H GLN 20 2.098 -10.547 -4.730 161 HA GLN 20 HA GLN 20 4.839 -9.478 -4.854 162 HB2 GLN 20 HB2 GLN 20 2.749 -8.124 -3.936 163 HB3 GLN 20 HB3 GLN 20 3.104 -9.029 -2.471 164 HG2 GLN 20 HG2 GLN 20 5.556 -8.014 -3.398 165 HG3 GLN 20 HG3 GLN 20 4.385 -6.701 -3.514 166 HE21 GLN 20 HE21 GLN 20 6.653 -6.971 -1.731 167 HE22 GLN 20 HE22 GLN 20 6.023 -6.903 -0.124 168 H GLU 21 H GLU 21 5.815 -9.690 -2.451 169 HA GLU 21 HA GLU 21 6.519 -12.361 -2.134 170 HB2 GLU 21 HB2 GLU 21 7.626 -11.706 -0.114 171 HB3 GLU 21 HB3 GLU 21 7.786 -10.386 -1.264 172 HG2 GLU 21 HG2 GLU 21 7.230 -9.209 0.594 173 HG3 GLU 21 HG3 GLU 21 5.618 -9.516 -0.050 174 H GLU 22 H GLU 22 3.738 -10.673 -1.032 175 HA GLU 22 HA GLU 22 2.999 -12.042 1.247 176 HB2 GLU 22 HB2 GLU 22 1.518 -10.662 -0.928 177 HB3 GLU 22 HB3 GLU 22 0.587 -11.706 0.136 178 HG2 GLU 22 HG2 GLU 22 1.789 -10.388 2.030 179 HG3 GLU 22 HG3 GLU 22 2.058 -9.191 0.764 180 H GLY 23 H GLY 23 1.512 -12.780 -1.904 181 HA2 GLY 23 HA2 GLY 23 2.178 -15.397 -2.246 182 HA3 GLY 23 HA3 GLY 23 0.898 -15.459 -1.044 183 HA PRO 24 HA PRO 24 -2.229 -15.148 -4.094 184 HB2 PRO 24 HB2 PRO 24 -3.930 -13.251 -3.157 185 HB3 PRO 24 HB3 PRO 24 -3.779 -14.852 -2.425 186 HG2 PRO 24 HG2 PRO 24 -2.558 -12.256 -1.571 187 HG3 PRO 24 HG3 PRO 24 -3.314 -13.516 -0.579 188 HD2 PRO 24 HD2 PRO 24 -0.629 -13.269 -0.822 189 HD3 PRO 24 HD3 PRO 24 -1.426 -14.839 -0.597 190 H ASP 25 H ASP 25 -3.359 -13.731 -5.665 191 HA ASP 25 HA ASP 25 -1.523 -11.707 -6.659 192 HB2 ASP 25 HB2 ASP 25 -4.076 -12.440 -8.045 193 HB3 ASP 25 HB3 ASP 25 -2.524 -11.974 -8.737 194 H VAL 26 H VAL 26 -2.655 -9.758 -7.759 195 HA VAL 26 HA VAL 26 -4.711 -8.688 -5.939 196 HB VAL 26 HB VAL 26 -2.192 -7.782 -5.872 197 HG11 VAL 26 HG11 VAL 26 -2.522 -7.158 -8.362 198 HG12 VAL 26 HG12 VAL 26 -3.438 -5.790 -7.728 199 HG13 VAL 26 HG13 VAL 26 -1.743 -5.999 -7.286 200 HG21 VAL 26 HG21 VAL 26 -3.578 -6.906 -4.274 201 HG22 VAL 26 HG22 VAL 26 -3.350 -5.484 -5.293 202 HG23 VAL 26 HG23 VAL 26 -4.819 -6.449 -5.441 203 H PHE 27 H PHE 27 -6.188 -7.200 -6.833 204 HA PHE 27 HA PHE 27 -6.645 -7.604 -9.673 205 HB2 PHE 27 HB2 PHE 27 -8.443 -7.760 -7.847 206 HB3 PHE 27 HB3 PHE 27 -8.386 -6.000 -7.809 207 HD1 PHE 27 HD1 PHE 27 -8.689 -8.769 -10.292 208 HD2 PHE 27 HD2 PHE 27 -9.887 -4.859 -9.112 209 HE1 PHE 27 HE1 PHE 27 -10.263 -8.684 -12.182 210 HE2 PHE 27 HE2 PHE 27 -11.464 -4.768 -10.999 211 HZ PHE 27 HZ PHE 27 -11.654 -6.683 -12.536 212 H VAL 28 H VAL 28 -5.781 -6.260 -11.099 213 HA VAL 28 HA VAL 28 -5.551 -3.408 -10.385 214 HB VAL 28 HB VAL 28 -3.435 -3.275 -11.130 215 HG11 VAL 28 HG11 VAL 28 -2.144 -5.384 -10.928 216 HG12 VAL 28 HG12 VAL 28 -3.254 -5.110 -9.583 217 HG13 VAL 28 HG13 VAL 28 -3.668 -6.268 -10.847 218 HG21 VAL 28 HG21 VAL 28 -3.933 -3.499 -13.441 219 HG22 VAL 28 HG22 VAL 28 -2.588 -4.589 -13.104 220 HG23 VAL 28 HG23 VAL 28 -4.221 -5.232 -13.279 221 H HIS 29 H HIS 29 -5.851 -1.890 -12.077 222 HA HIS 29 HA HIS 29 -6.836 -2.842 -14.638 223 HB2 HIS 29 HB2 HIS 29 -8.586 -1.829 -12.506 224 HB3 HIS 29 HB3 HIS 29 -8.803 -1.022 -14.056 225 HD1 HIS 29 HD1 HIS 29 -10.203 -2.210 -15.743 226 HD2 HIS 29 HD2 HIS 29 -8.957 -4.725 -12.680 227 HE1 HIS 29 HE1 HIS 29 -11.409 -4.384 -16.125 228 H PHE 30 H PHE 30 -7.150 -1.092 -16.191 229 HA PHE 30 HA PHE 30 -5.037 0.730 -16.199 230 HB2 PHE 30 HB2 PHE 30 -5.915 1.554 -18.228 231 HB3 PHE 30 HB3 PHE 30 -6.414 -0.134 -18.178 232 HD1 PHE 30 HD2 PHE 30 -8.779 -0.550 -17.104 233 HD2 PHE 30 HD1 PHE 30 -7.477 3.153 -18.749 234 HE1 PHE 30 HE2 PHE 30 -11.122 0.134 -17.409 235 HE2 PHE 30 HE1 PHE 30 -9.819 3.844 -19.056 236 HZ PHE 30 HZ PHE 30 -11.645 2.333 -18.387 237 H THR 31 H THR 31 -8.098 0.906 -14.686 238 HA THR 31 HA THR 31 -8.157 3.796 -14.525 239 HB THR 31 HB THR 31 -10.250 2.428 -14.652 240 HG1 THR 31 HG1 THR 31 -10.366 4.535 -13.828 241 HG21 THR 31 HG21 THR 31 -9.517 0.607 -13.155 242 HG22 THR 31 HG22 THR 31 -11.055 1.308 -12.652 243 HG23 THR 31 HG23 THR 31 -9.573 1.726 -11.794 244 H ALA 32 H ALA 32 -6.203 1.679 -13.134 245 HA ALA 32 HA ALA 32 -6.153 3.125 -10.565 246 HB1 ALA 32 HB1 ALA 32 -6.648 0.455 -10.835 247 HB2 ALA 32 HB2 ALA 32 -4.907 0.479 -10.553 248 HB3 ALA 32 HB3 ALA 32 -5.999 1.227 -9.388 249 H ILE 33 H ILE 33 -4.263 1.529 -13.084 250 HA ILE 33 HA ILE 33 -1.699 1.927 -12.147 251 HB ILE 33 HB ILE 33 -2.706 2.078 -14.988 252 HG12 ILE 33 HG12 ILE 33 -1.082 -0.210 -14.244 253 HG13 ILE 33 HG13 ILE 33 -2.496 -0.064 -13.206 254 HG21 ILE 33 HG21 ILE 33 -0.282 1.534 -15.535 255 HG22 ILE 33 HG22 ILE 33 -0.636 3.190 -15.043 256 HG23 ILE 33 HG23 ILE 33 0.092 2.066 -13.896 257 HD11 ILE 33 HD11 ILE 33 -3.101 0.298 -16.030 258 HD12 ILE 33 HD12 ILE 33 -2.422 -1.284 -15.648 259 HD13 ILE 33 HD13 ILE 33 -3.875 -0.726 -14.821 260 H GLU 34 H GLU 34 -0.474 3.647 -11.743 261 HA GLU 34 HA GLU 34 -1.359 6.257 -12.784 262 HB2 GLU 34 HB2 GLU 34 -0.094 7.198 -10.811 263 HB3 GLU 34 HB3 GLU 34 -1.544 6.286 -10.417 264 HG2 GLU 34 HG2 GLU 34 -0.366 4.531 -9.516 265 HG3 GLU 34 HG3 GLU 34 1.092 4.898 -10.437 266 H ALA 35 H ALA 35 -0.157 6.040 -14.715 267 HA ALA 35 HA ALA 35 2.768 6.132 -14.367 268 HB1 ALA 35 HB1 ALA 35 1.462 4.342 -15.853 269 HB2 ALA 35 HB2 ALA 35 1.624 5.627 -17.050 270 HB3 ALA 35 HB3 ALA 35 3.060 4.953 -16.282 271 H ASP 36 H ASP 36 3.773 7.309 -16.407 272 HA ASP 36 HA ASP 36 2.517 9.962 -16.474 273 HB2 ASP 36 HB2 ASP 36 5.320 8.985 -16.556 274 HB3 ASP 36 HB3 ASP 36 4.953 10.422 -17.507 275 H GLY 37 H GLY 37 0.994 9.089 -18.103 276 HA2 GLY 37 HA2 GLY 37 0.717 9.905 -20.440 277 HA3 GLY 37 HA3 GLY 37 2.228 9.077 -20.790 278 H PHE 38 H PHE 38 2.008 7.193 -21.774 279 HA PHE 38 HA PHE 38 -0.574 5.864 -21.775 280 HB2 PHE 38 HB2 PHE 38 1.982 5.361 -23.303 281 HB3 PHE 38 HB3 PHE 38 0.547 4.353 -23.458 282 HD1 PHE 38 HD1 PHE 38 1.706 7.869 -23.785 283 HD2 PHE 38 HD2 PHE 38 -1.102 4.905 -24.989 284 HE1 PHE 38 HE1 PHE 38 0.817 9.407 -25.488 285 HE2 PHE 38 HE2 PHE 38 -1.995 6.438 -26.694 286 HZ PHE 38 HZ PHE 38 -1.034 8.692 -26.946 287 H ARG 39 H ARG 39 -1.011 4.541 -20.138 288 HA ARG 39 HA ARG 39 1.047 3.223 -18.633 289 HB2 ARG 39 HB2 ARG 39 -1.946 2.810 -18.522 290 HB3 ARG 39 HB3 ARG 39 -0.775 2.310 -17.308 291 HG2 ARG 39 HG2 ARG 39 -0.426 4.471 -16.564 292 HG3 ARG 39 HG3 ARG 39 -1.020 5.190 -18.062 293 HD2 ARG 39 HD2 ARG 39 -2.886 3.561 -16.406 294 HD3 ARG 39 HD3 ARG 39 -2.481 5.192 -15.872 295 HE ARG 39 HE ARG 39 -3.289 5.060 -18.623 296 HH11 ARG 39 HH11 ARG 39 -4.398 5.297 -15.332 297 HH12 ARG 39 HH12 ARG 39 -5.898 6.054 -15.755 298 HH21 ARG 39 HH21 ARG 39 -5.260 6.055 -19.193 299 HH22 ARG 39 HH22 ARG 39 -6.388 6.484 -17.951 300 H THR 40 H THR 40 1.909 1.292 -19.002 301 HA THR 40 HA THR 40 0.438 -0.900 -20.084 302 HB THR 40 HB THR 40 2.367 -1.008 -21.992 303 HG1 THR 40 HG1 THR 40 2.587 1.037 -22.895 304 HG21 THR 40 HG21 THR 40 0.644 -0.804 -23.515 305 HG22 THR 40 HG22 THR 40 -0.138 0.497 -22.617 306 HG23 THR 40 HG23 THR 40 -0.246 -1.165 -22.037 307 H LEU 41 H LEU 41 1.232 -2.633 -19.102 308 HA LEU 41 HA LEU 41 4.045 -2.596 -18.239 309 HB2 LEU 41 HB2 LEU 41 1.977 -4.466 -17.152 310 HB3 LEU 41 HB3 LEU 41 3.478 -3.918 -16.409 311 HG LEU 41 HG LEU 41 1.074 -2.150 -16.838 312 HD11 LEU 41 HD11 LEU 41 1.831 -3.950 -14.577 313 HD12 LEU 41 HD12 LEU 41 0.250 -3.662 -15.302 314 HD13 LEU 41 HD13 LEU 41 0.978 -2.440 -14.259 315 HD21 LEU 41 HD21 LEU 41 3.791 -1.698 -16.001 316 HD22 LEU 41 HD22 LEU 41 2.662 -1.268 -14.716 317 HD23 LEU 41 HD23 LEU 41 2.504 -0.533 -16.312 318 H ASN 42 H ASN 42 4.704 -5.092 -17.816 319 HA ASN 42 HA ASN 42 3.937 -6.712 -20.124 320 HB2 ASN 42 HB2 ASN 42 6.835 -6.169 -19.459 321 HB3 ASN 42 HB3 ASN 42 6.209 -7.089 -20.824 322 HD21 ASN 42 HD21 ASN 42 7.400 -4.165 -19.861 323 HD22 ASN 42 HD22 ASN 42 6.826 -3.186 -21.164 324 H GLU 43 H GLU 43 3.876 -8.852 -19.704 325 HA GLU 43 HA GLU 43 3.844 -9.819 -17.110 326 HB2 GLU 43 HB2 GLU 43 2.766 -11.002 -18.935 327 HB3 GLU 43 HB3 GLU 43 4.322 -11.321 -19.688 328 HG2 GLU 43 HG2 GLU 43 4.934 -12.619 -17.625 329 HG3 GLU 43 HG3 GLU 43 3.251 -12.462 -17.125 330 H GLY 44 H GLY 44 5.318 -10.617 -15.721 331 HA2 GLY 44 HA2 GLY 44 7.346 -11.657 -15.099 332 HA3 GLY 44 HA3 GLY 44 7.994 -11.291 -16.691 333 H GLU 45 H GLU 45 6.807 -8.467 -16.204 334 HA GLU 45 HA GLU 45 9.259 -7.384 -15.124 335 HB2 GLU 45 HB2 GLU 45 8.068 -6.415 -17.112 336 HB3 GLU 45 HB3 GLU 45 6.790 -5.894 -16.023 337 HG2 GLU 45 HG2 GLU 45 7.998 -4.186 -15.199 338 HG3 GLU 45 HG3 GLU 45 9.515 -5.080 -15.271 339 H HIS 46 H HIS 46 9.257 -5.714 -13.450 340 HA HIS 46 HA HIS 46 7.512 -6.489 -11.248 341 HB2 HIS 46 HB2 HIS 46 9.689 -4.448 -10.989 342 HB3 HIS 46 HB3 HIS 46 9.110 -5.616 -9.805 343 HD1 HIS 46 HD1 HIS 46 10.162 -7.949 -9.834 344 HD2 HIS 46 HD2 HIS 46 11.578 -5.448 -12.834 345 HE1 HIS 46 HE1 HIS 46 12.169 -9.121 -10.794 346 H VAL 47 H VAL 47 6.084 -5.148 -10.231 347 HA VAL 47 HA VAL 47 5.931 -2.341 -10.914 348 HB VAL 47 HB VAL 47 3.616 -2.409 -11.697 349 HG11 VAL 47 HG11 VAL 47 5.523 -2.501 -13.297 350 HG12 VAL 47 HG12 VAL 47 5.327 -4.254 -13.357 351 HG13 VAL 47 HG13 VAL 47 4.029 -3.200 -13.920 352 HG21 VAL 47 HG21 VAL 47 2.466 -4.442 -12.185 353 HG22 VAL 47 HG22 VAL 47 3.893 -5.408 -11.812 354 HG23 VAL 47 HG23 VAL 47 3.049 -4.551 -10.524 355 H GLU 48 H GLU 48 4.870 -1.138 -9.385 356 HA GLU 48 HA GLU 48 4.270 -2.495 -6.900 357 HB2 GLU 48 HB2 GLU 48 5.568 -0.310 -7.112 358 HB3 GLU 48 HB3 GLU 48 4.023 0.459 -7.446 359 HG2 GLU 48 HG2 GLU 48 3.181 -0.189 -5.286 360 HG3 GLU 48 HG3 GLU 48 4.651 -1.103 -4.951 361 H PHE 49 H PHE 49 2.309 -1.913 -5.654 362 HA PHE 49 HA PHE 49 0.001 -0.938 -7.026 363 HB2 PHE 49 HB2 PHE 49 -1.300 -2.986 -7.063 364 HB3 PHE 49 HB3 PHE 49 0.174 -3.215 -7.998 365 HD1 PHE 49 HD1 PHE 49 2.008 -4.588 -7.102 366 HD2 PHE 49 HD2 PHE 49 -1.729 -4.244 -5.092 367 HE1 PHE 49 HE1 PHE 49 2.549 -6.580 -5.762 368 HE2 PHE 49 HE2 PHE 49 -1.193 -6.234 -3.748 369 HZ PHE 49 HZ PHE 49 0.948 -7.404 -4.082 370 H GLU 50 H GLU 50 -1.375 -0.114 -5.578 371 HA GLU 50 HA GLU 50 -0.933 -0.765 -2.754 372 HB2 GLU 50 HB2 GLU 50 -2.102 1.614 -4.169 373 HB3 GLU 50 HB3 GLU 50 -2.412 1.342 -2.460 374 HG2 GLU 50 HG2 GLU 50 0.045 1.299 -2.086 375 HG3 GLU 50 HG3 GLU 50 0.261 1.752 -3.776 376 H VAL 51 H VAL 51 -2.171 -2.485 -2.243 377 HA VAL 51 HA VAL 51 -4.699 -3.071 -3.333 378 HB VAL 51 HB VAL 51 -4.945 -4.686 -1.513 379 HG11 VAL 51 HG11 VAL 51 -3.481 -6.090 -2.462 380 HG12 VAL 51 HG12 VAL 51 -3.054 -4.718 -3.486 381 HG13 VAL 51 HG13 VAL 51 -2.098 -5.078 -2.048 382 HG21 VAL 51 HG21 VAL 51 -3.062 -4.864 0.155 383 HG22 VAL 51 HG22 VAL 51 -2.562 -3.253 -0.358 384 HG23 VAL 51 HG23 VAL 51 -4.147 -3.492 0.376 385 H GLU 52 H GLU 52 -6.655 -2.276 -2.927 386 HA GLU 52 HA GLU 52 -7.053 -0.740 -0.444 387 HB2 GLU 52 HB2 GLU 52 -7.733 -0.099 -3.266 388 HB3 GLU 52 HB3 GLU 52 -8.891 0.379 -2.033 389 HG2 GLU 52 HG2 GLU 52 -6.005 1.199 -2.229 390 HG3 GLU 52 HG3 GLU 52 -7.426 2.214 -2.473 391 HA PRO 53 HA PRO 53 -10.570 -3.186 0.495 392 HB2 PRO 53 HB2 PRO 53 -12.334 -1.358 1.454 393 HB3 PRO 53 HB3 PRO 53 -10.891 -1.859 2.343 394 HG2 PRO 53 HG2 PRO 53 -11.333 0.586 0.673 395 HG3 PRO 53 HG3 PRO 53 -10.532 0.437 2.248 396 HD2 PRO 53 HD2 PRO 53 -9.155 0.618 -0.076 397 HD3 PRO 53 HD3 PRO 53 -8.561 -0.311 1.315 398 H GLY 54 H GLY 54 -12.586 -0.429 -0.150 399 HA2 GLY 54 HA2 GLY 54 -14.163 -1.943 -2.018 400 HA3 GLY 54 HA3 GLY 54 -14.465 -0.294 -1.493 401 H ARG 55 H ARG 55 -11.998 -2.055 -3.377 402 HA ARG 55 HA ARG 55 -12.271 0.000 -5.463 403 HB2 ARG 55 HB2 ARG 55 -10.214 0.344 -4.056 404 HB3 ARG 55 HB3 ARG 55 -9.641 -1.220 -4.619 405 HG2 ARG 55 HG2 ARG 55 -8.583 0.426 -5.946 406 HG3 ARG 55 HG3 ARG 55 -9.813 -0.333 -6.958 407 HD2 ARG 55 HD2 ARG 55 -11.275 1.663 -5.969 408 HD3 ARG 55 HD3 ARG 55 -9.684 2.413 -5.848 409 HE ARG 55 HE ARG 55 -9.753 1.448 -8.386 410 HH11 ARG 55 HH11 ARG 55 -11.840 3.519 -6.521 411 HH12 ARG 55 HH12 ARG 55 -12.391 4.420 -7.895 412 HH21 ARG 55 HH21 ARG 55 -10.471 2.626 -10.202 413 HH22 ARG 55 HH22 ARG 55 -11.612 3.910 -9.989 414 H GLY 56 H GLY 56 -11.216 -3.276 -4.635 415 HA2 GLY 56 HA2 GLY 56 -11.603 -4.028 -7.466 416 HA3 GLY 56 HA3 GLY 56 -10.503 -4.849 -6.368 417 H GLY 57 H GLY 57 -12.743 -5.895 -7.988 418 HA2 GLY 57 HA2 GLY 57 -15.043 -6.464 -6.591 419 HA3 GLY 57 HA3 GLY 57 -14.294 -7.573 -7.730 420 H LYS 58 H LYS 58 -12.109 -8.494 -6.600 421 HA LYS 58 HA LYS 58 -13.062 -10.239 -4.580 422 HB2 LYS 58 HB2 LYS 58 -10.512 -9.805 -6.018 423 HB3 LYS 58 HB3 LYS 58 -10.385 -10.578 -4.443 424 HG2 LYS 58 HG2 LYS 58 -12.486 -11.704 -6.123 425 HG3 LYS 58 HG3 LYS 58 -10.867 -11.852 -6.812 426 HD2 LYS 58 HD2 LYS 58 -10.758 -13.705 -5.536 427 HD3 LYS 58 HD3 LYS 58 -10.396 -12.564 -4.239 428 HE2 LYS 58 HE2 LYS 58 -12.111 -14.048 -3.474 429 HE3 LYS 58 HE3 LYS 58 -12.834 -12.462 -3.740 430 HZ1 LYS 58 HZ1 LYS 58 -12.943 -14.681 -5.707 431 HZ2 LYS 58 HZ2 LYS 58 -13.771 -13.208 -5.784 432 HZ3 LYS 58 HZ3 LYS 58 -14.173 -14.343 -4.596 433 H GLY 59 H GLY 59 -11.859 -7.082 -4.450 434 HA2 GLY 59 HA2 GLY 59 -12.205 -6.072 -2.185 435 HA3 GLY 59 HA3 GLY 59 -11.218 -7.396 -1.582 436 HA PRO 60 HA PRO 60 -7.586 -4.998 -2.058 437 HB2 PRO 60 HB2 PRO 60 -5.762 -6.852 -2.835 438 HB3 PRO 60 HB3 PRO 60 -6.414 -6.774 -1.193 439 HG2 PRO 60 HG2 PRO 60 -7.199 -8.565 -3.461 440 HG3 PRO 60 HG3 PRO 60 -6.972 -8.963 -1.748 441 HD2 PRO 60 HD2 PRO 60 -9.419 -8.579 -2.841 442 HD3 PRO 60 HD3 PRO 60 -9.050 -8.162 -1.156 443 H GLN 61 H GLN 61 -7.525 -3.539 -3.664 444 HA GLN 61 HA GLN 61 -7.065 -4.517 -6.406 445 HB2 GLN 61 HB2 GLN 61 -9.178 -3.012 -5.568 446 HB3 GLN 61 HB3 GLN 61 -8.055 -1.761 -6.084 447 HG2 GLN 61 HG2 GLN 61 -8.517 -4.059 -7.904 448 HG3 GLN 61 HG3 GLN 61 -9.791 -2.851 -7.740 449 HE21 GLN 61 HE21 GLN 61 -8.362 -3.379 -10.107 450 HE22 GLN 61 HE22 GLN 61 -7.463 -1.962 -10.517 451 H ALA 62 H ALA 62 -5.857 -2.959 -7.802 452 HA ALA 62 HA ALA 62 -3.492 -2.063 -6.378 453 HB1 ALA 62 HB1 ALA 62 -4.176 -2.602 -9.223 454 HB2 ALA 62 HB2 ALA 62 -2.834 -1.512 -8.869 455 HB3 ALA 62 HB3 ALA 62 -2.810 -3.167 -8.261 456 H LYS 63 H LYS 63 -5.289 -0.427 -5.471 457 HA LYS 63 HA LYS 63 -6.233 1.749 -6.782 458 HB2 LYS 63 HB2 LYS 63 -6.577 1.392 -4.393 459 HB3 LYS 63 HB3 LYS 63 -4.882 1.739 -4.077 460 HG2 LYS 63 HG2 LYS 63 -5.917 3.722 -3.518 461 HG3 LYS 63 HG3 LYS 63 -5.390 4.024 -5.175 462 HD2 LYS 63 HD2 LYS 63 -8.120 2.920 -4.637 463 HD3 LYS 63 HD3 LYS 63 -7.811 4.650 -4.466 464 HE2 LYS 63 HE2 LYS 63 -6.691 4.281 -6.850 465 HE3 LYS 63 HE3 LYS 63 -7.843 2.947 -6.898 466 HZ1 LYS 63 HZ1 LYS 63 -8.361 5.839 -6.768 467 HZ2 LYS 63 HZ2 LYS 63 -9.508 4.760 -6.151 468 HZ3 LYS 63 HZ3 LYS 63 -9.054 4.672 -7.778 469 H LYS 64 H LYS 64 -2.896 1.197 -5.793 470 HA LYS 64 HA LYS 64 -2.096 3.452 -7.503 471 HB2 LYS 64 HB2 LYS 64 -1.893 3.483 -4.751 472 HB3 LYS 64 HB3 LYS 64 -0.292 2.955 -5.252 473 HG2 LYS 64 HG2 LYS 64 -0.287 5.335 -5.030 474 HG3 LYS 64 HG3 LYS 64 -0.159 4.928 -6.743 475 HD2 LYS 64 HD2 LYS 64 -1.718 6.759 -6.444 476 HD3 LYS 64 HD3 LYS 64 -2.581 5.319 -6.991 477 HE2 LYS 64 HE2 LYS 64 -3.440 4.904 -4.821 478 HE3 LYS 64 HE3 LYS 64 -2.351 6.080 -4.089 479 HZ1 LYS 64 HZ1 LYS 64 -4.934 6.498 -5.053 480 HZ2 LYS 64 HZ2 LYS 64 -3.885 7.368 -6.054 481 HZ3 LYS 64 HZ3 LYS 64 -3.876 7.637 -4.384 482 H VAL 65 H VAL 65 -1.405 2.227 -9.203 483 HA VAL 65 HA VAL 65 0.615 0.159 -8.661 484 HB VAL 65 HB VAL 65 -1.561 0.337 -10.557 485 HG11 VAL 65 HG11 VAL 65 0.066 1.081 -12.157 486 HG12 VAL 65 HG12 VAL 65 1.191 -0.189 -11.672 487 HG13 VAL 65 HG13 VAL 65 -0.314 -0.608 -12.491 488 HG21 VAL 65 HG21 VAL 65 -0.798 -1.520 -8.921 489 HG22 VAL 65 HG22 VAL 65 -1.452 -1.980 -10.493 490 HG23 VAL 65 HG23 VAL 65 0.291 -1.991 -10.226 491 H ARG 66 H ARG 66 2.636 0.279 -9.519 492 HA ARG 66 HA ARG 66 3.253 2.566 -11.260 493 HB2 ARG 66 HB2 ARG 66 4.738 1.713 -8.774 494 HB3 ARG 66 HB3 ARG 66 5.418 2.797 -9.980 495 HG2 ARG 66 HG2 ARG 66 3.194 4.134 -9.548 496 HG3 ARG 66 HG3 ARG 66 3.246 3.269 -8.011 497 HD2 ARG 66 HD2 ARG 66 4.453 5.125 -7.452 498 HD3 ARG 66 HD3 ARG 66 5.754 4.086 -8.035 499 HE ARG 66 HE ARG 66 4.873 5.498 -10.230 500 HH11 ARG 66 HH11 ARG 66 6.227 6.247 -7.112 501 HH12 ARG 66 HH12 ARG 66 6.995 7.703 -7.650 502 HH21 ARG 66 HH21 ARG 66 5.879 7.414 -10.951 503 HH22 ARG 66 HH22 ARG 66 6.796 8.367 -9.834 504 H ARG 67 H ARG 67 5.070 2.297 -12.630 505 HA ARG 67 HA ARG 67 5.519 -0.469 -13.373 506 HB2 ARG 67 HB2 ARG 67 6.748 0.535 -15.303 507 HB3 ARG 67 HB3 ARG 67 5.075 1.058 -15.169 508 HG2 ARG 67 HG2 ARG 67 5.634 3.202 -14.756 509 HG3 ARG 67 HG3 ARG 67 7.071 2.763 -13.830 510 HD2 ARG 67 HD2 ARG 67 8.360 3.140 -15.598 511 HD3 ARG 67 HD3 ARG 67 7.439 1.974 -16.547 512 HE ARG 67 HE ARG 67 7.272 4.823 -16.692 513 HH11 ARG 67 HH11 ARG 67 5.480 1.868 -17.109 514 HH12 ARG 67 HH12 ARG 67 4.360 2.554 -18.239 515 HH21 ARG 67 HH21 ARG 67 5.804 5.738 -18.179 516 HH22 ARG 67 HH22 ARG 67 4.545 4.755 -18.847 517 H ILE 68 H ILE 68 7.377 -1.594 -13.142 518 HA ILE 68 HA ILE 68 9.783 -0.203 -12.224 519 HB ILE 68 HB ILE 68 8.799 -2.693 -10.838 520 HG12 ILE 68 HG12 ILE 68 8.223 0.179 -10.323 521 HG13 ILE 68 HG13 ILE 68 7.231 -1.241 -10.009 522 HG21 ILE 68 HG21 ILE 68 10.868 -0.711 -9.927 523 HG22 ILE 68 HG22 ILE 68 10.551 -2.326 -9.297 524 HG23 ILE 68 HG23 ILE 68 11.262 -2.129 -10.898 525 HD11 ILE 68 HD11 ILE 68 7.813 -0.342 -7.912 526 HD12 ILE 68 HD12 ILE 68 8.813 -1.779 -8.127 527 HD13 ILE 68 HD13 ILE 68 9.507 -0.176 -8.370 Start of MODEL 8 1 H1 MET 1 H MET 1 2.238 0.208 -3.006 2 HA MET 1 HA MET 1 3.138 0.372 -0.210 3 HB2 MET 1 HB2 MET 1 0.460 -0.016 -1.177 4 HB3 MET 1 HB3 MET 1 0.988 -1.456 -0.317 5 HG2 MET 1 HG2 MET 1 1.121 1.338 0.792 6 HG3 MET 1 HG3 MET 1 -0.181 0.193 1.106 7 HE1 MET 1 HE1 MET 1 2.648 1.020 3.957 8 HE2 MET 1 HE2 MET 1 3.654 1.081 2.510 9 HE3 MET 1 HE3 MET 1 2.108 1.931 2.546 10 H LYS 2 H LYS 2 1.946 -1.974 -2.623 11 HA LYS 2 HA LYS 2 4.044 -3.831 -1.716 12 HB2 LYS 2 HB2 LYS 2 1.500 -4.505 -3.202 13 HB3 LYS 2 HB3 LYS 2 2.653 -5.643 -2.517 14 HG2 LYS 2 HG2 LYS 2 0.884 -3.742 -0.994 15 HG3 LYS 2 HG3 LYS 2 0.712 -5.495 -1.103 16 HD2 LYS 2 HD2 LYS 2 3.132 -5.524 -0.147 17 HD3 LYS 2 HD3 LYS 2 2.758 -3.876 0.363 18 HE2 LYS 2 HE2 LYS 2 0.789 -4.706 1.565 19 HE3 LYS 2 HE3 LYS 2 1.178 -6.350 1.062 20 HZ1 LYS 2 HZ1 LYS 2 3.249 -4.835 2.460 21 HZ2 LYS 2 HZ2 LYS 2 2.900 -6.489 2.514 22 HZ3 LYS 2 HZ3 LYS 2 1.941 -5.394 3.376 23 H LYS 3 H LYS 3 5.613 -4.379 -3.087 24 HA LYS 3 HA LYS 3 5.295 -3.633 -5.920 25 HB2 LYS 3 HB2 LYS 3 7.894 -3.918 -4.409 26 HB3 LYS 3 HB3 LYS 3 7.670 -3.265 -6.027 27 HG2 LYS 3 HG2 LYS 3 6.539 -1.340 -5.162 28 HG3 LYS 3 HG3 LYS 3 6.530 -2.022 -3.534 29 HD2 LYS 3 HD2 LYS 3 9.114 -1.588 -4.985 30 HD3 LYS 3 HD3 LYS 3 8.316 -0.247 -4.159 31 HE2 LYS 3 HE2 LYS 3 8.246 -1.746 -2.112 32 HE3 LYS 3 HE3 LYS 3 9.348 -2.816 -2.979 33 HZ1 LYS 3 HZ1 LYS 3 10.061 0.014 -2.802 34 HZ2 LYS 3 HZ2 LYS 3 11.057 -1.353 -2.802 35 HZ3 LYS 3 HZ3 LYS 3 10.218 -0.919 -1.399 36 H GLY 4 H GLY 4 5.550 -5.158 -7.450 37 HA2 GLY 4 HA2 GLY 4 7.111 -7.513 -7.094 38 HA3 GLY 4 HA3 GLY 4 5.401 -7.862 -6.892 39 H THR 5 H THR 5 6.627 -9.165 -8.861 40 HA THR 5 HA THR 5 6.615 -7.785 -11.360 41 HB THR 5 HB THR 5 6.567 -10.236 -12.255 42 HG1 THR 5 HG1 THR 5 5.982 -11.377 -10.464 43 HG21 THR 5 HG21 THR 5 8.854 -9.199 -10.574 44 HG22 THR 5 HG22 THR 5 8.553 -8.823 -12.271 45 HG23 THR 5 HG23 THR 5 8.974 -10.467 -11.793 46 H VAL 6 H VAL 6 5.203 -8.284 -13.171 47 HA VAL 6 HA VAL 6 2.424 -8.567 -12.287 48 HB VAL 6 HB VAL 6 3.049 -6.571 -13.629 49 HG11 VAL 6 HG11 VAL 6 4.091 -6.672 -15.609 50 HG12 VAL 6 HG12 VAL 6 4.513 -8.320 -15.137 51 HG13 VAL 6 HG13 VAL 6 3.109 -8.027 -16.163 52 HG21 VAL 6 HG21 VAL 6 1.245 -7.239 -15.527 53 HG22 VAL 6 HG22 VAL 6 0.932 -8.494 -14.328 54 HG23 VAL 6 HG23 VAL 6 0.819 -6.794 -13.875 55 H LYS 7 H LYS 7 1.236 -10.302 -12.754 56 HA LYS 7 HA LYS 7 2.415 -12.560 -14.044 57 HB2 LYS 7 HB2 LYS 7 0.559 -12.371 -12.154 58 HB3 LYS 7 HB3 LYS 7 -0.522 -12.426 -13.541 59 HG2 LYS 7 HG2 LYS 7 0.438 -14.547 -14.232 60 HG3 LYS 7 HG3 LYS 7 1.576 -14.485 -12.884 61 HD2 LYS 7 HD2 LYS 7 -1.316 -14.244 -12.258 62 HD3 LYS 7 HD3 LYS 7 -0.714 -15.829 -12.748 63 HE2 LYS 7 HE2 LYS 7 1.094 -14.675 -10.859 64 HE3 LYS 7 HE3 LYS 7 -0.544 -14.599 -10.211 65 HZ1 LYS 7 HZ1 LYS 7 1.097 -16.934 -10.851 66 HZ2 LYS 7 HZ2 LYS 7 -0.574 -17.067 -11.074 67 HZ3 LYS 7 HZ3 LYS 7 0.046 -16.675 -9.550 68 H TRP 8 H TRP 8 -0.016 -10.167 -14.940 69 HA TRP 8 HA TRP 8 0.480 -10.431 -17.698 70 HB2 TRP 8 HB2 TRP 8 -1.522 -11.517 -18.478 71 HB3 TRP 8 HB3 TRP 8 -0.738 -12.583 -17.316 72 HD1 TRP 8 HD1 TRP 8 -3.609 -9.965 -17.323 73 HE1 TRP 8 HE1 TRP 8 -5.417 -10.775 -15.679 74 HE3 TRP 8 HE3 TRP 8 -1.284 -14.165 -15.564 75 HZ2 TRP 8 HZ2 TRP 8 -5.805 -12.911 -13.875 76 HZ3 TRP 8 HZ3 TRP 8 -2.441 -15.536 -13.881 77 HH2 TRP 8 HH2 TRP 8 -4.654 -14.920 -13.055 78 H PHE 9 H PHE 9 -0.582 -8.858 -18.918 79 HA PHE 9 HA PHE 9 -2.565 -7.192 -17.561 80 HB2 PHE 9 HB2 PHE 9 -0.287 -6.235 -17.121 81 HB3 PHE 9 HB3 PHE 9 -0.100 -6.016 -18.857 82 HD1 PHE 9 HD1 PHE 9 -1.559 -4.421 -20.062 83 HD2 PHE 9 HD2 PHE 9 -1.580 -4.741 -15.818 84 HE1 PHE 9 HE1 PHE 9 -2.674 -2.233 -19.906 85 HE2 PHE 9 HE2 PHE 9 -2.696 -2.555 -15.655 86 HZ PHE 9 HZ PHE 9 -3.243 -1.297 -17.700 87 H ASN 10 H ASN 10 -4.186 -7.628 -18.970 88 HA ASN 10 HA ASN 10 -3.726 -7.576 -21.829 89 HB2 ASN 10 HB2 ASN 10 -5.293 -9.198 -20.687 90 HB3 ASN 10 HB3 ASN 10 -6.370 -7.836 -20.388 91 HD21 ASN 10 HD21 ASN 10 -8.037 -8.125 -21.694 92 HD22 ASN 10 HD22 ASN 10 -7.945 -8.411 -23.396 93 H ALA 11 H ALA 11 -3.469 -5.625 -22.717 94 HA ALA 11 HA ALA 11 -4.617 -3.239 -21.691 95 HB1 ALA 11 HB1 ALA 11 -3.059 -3.964 -24.123 96 HB2 ALA 11 HB2 ALA 11 -3.896 -2.412 -24.078 97 HB3 ALA 11 HB3 ALA 11 -2.691 -2.799 -22.850 98 H GLU 12 H GLU 12 -5.683 -5.634 -23.960 99 HA GLU 12 HA GLU 12 -7.540 -4.149 -25.435 100 HB2 GLU 12 HB2 GLU 12 -7.159 -7.025 -24.793 101 HB3 GLU 12 HB3 GLU 12 -8.734 -6.544 -25.410 102 HG2 GLU 12 HG2 GLU 12 -7.500 -5.436 -27.317 103 HG3 GLU 12 HG3 GLU 12 -6.061 -6.280 -26.748 104 H LYS 13 H LYS 13 -7.774 -5.676 -22.278 105 HA LYS 13 HA LYS 13 -10.563 -4.806 -22.034 106 HB2 LYS 13 HB2 LYS 13 -8.860 -6.777 -20.545 107 HB3 LYS 13 HB3 LYS 13 -10.314 -6.127 -19.800 108 HG2 LYS 13 HG2 LYS 13 -10.224 -7.570 -22.441 109 HG3 LYS 13 HG3 LYS 13 -10.691 -8.291 -20.899 110 HD2 LYS 13 HD2 LYS 13 -12.482 -6.528 -20.744 111 HD3 LYS 13 HD3 LYS 13 -12.091 -6.090 -22.408 112 HE2 LYS 13 HE2 LYS 13 -12.932 -8.049 -23.263 113 HE3 LYS 13 HE3 LYS 13 -12.656 -8.944 -21.770 114 HZ1 LYS 13 HZ1 LYS 13 -15.038 -7.915 -22.620 115 HZ2 LYS 13 HZ2 LYS 13 -14.543 -6.831 -21.420 116 HZ3 LYS 13 HZ3 LYS 13 -14.694 -8.477 -21.062 117 H GLY 14 H GLY 14 -7.371 -4.367 -20.615 118 HA2 GLY 14 HA2 GLY 14 -6.653 -2.337 -19.639 119 HA3 GLY 14 HA3 GLY 14 -8.334 -1.903 -19.363 120 H TYR 15 H TYR 15 -6.774 -4.949 -18.499 121 HA TYR 15 HA TYR 15 -6.774 -4.191 -15.680 122 HB2 TYR 15 HB2 TYR 15 -8.136 -5.981 -14.955 123 HB3 TYR 15 HB3 TYR 15 -9.004 -5.266 -16.309 124 HD1 TYR 15 HD1 TYR 15 -8.169 -6.373 -18.678 125 HD2 TYR 15 HD2 TYR 15 -8.199 -8.276 -14.873 126 HE1 TYR 15 HE1 TYR 15 -8.260 -8.568 -19.783 127 HE2 TYR 15 HE2 TYR 15 -8.289 -10.476 -15.968 128 HH TYR 15 HH TYR 15 -7.577 -11.411 -18.283 129 H GLY 16 H GLY 16 -5.854 -6.078 -14.333 130 HA2 GLY 16 HA2 GLY 16 -4.234 -8.040 -15.561 131 HA3 GLY 16 HA3 GLY 16 -3.258 -6.622 -15.208 132 H PHE 17 H PHE 17 -2.358 -8.699 -13.972 133 HA PHE 17 HA PHE 17 -3.262 -8.365 -11.200 134 HB2 PHE 17 HB2 PHE 17 -2.787 -10.967 -12.648 135 HB3 PHE 17 HB3 PHE 17 -2.753 -10.851 -10.891 136 HD1 PHE 17 HD1 PHE 17 -4.932 -9.961 -13.782 137 HD2 PHE 17 HD2 PHE 17 -4.697 -11.223 -9.724 138 HE1 PHE 17 HE1 PHE 17 -7.378 -10.216 -13.723 139 HE2 PHE 17 HE2 PHE 17 -7.143 -11.482 -9.659 140 HZ PHE 17 HZ PHE 17 -8.487 -10.979 -11.661 141 H ILE 18 H ILE 18 -1.662 -8.350 -9.671 142 HA ILE 18 HA ILE 18 1.099 -8.616 -10.670 143 HB ILE 18 HB ILE 18 0.085 -6.706 -8.562 144 HG12 ILE 18 HG12 ILE 18 1.413 -5.866 -11.106 145 HG13 ILE 18 HG13 ILE 18 -0.284 -6.331 -11.151 146 HG21 ILE 18 HG21 ILE 18 2.273 -7.386 -7.944 147 HG22 ILE 18 HG22 ILE 18 2.852 -7.260 -9.604 148 HG23 ILE 18 HG23 ILE 18 2.429 -5.803 -8.705 149 HD11 ILE 18 HD11 ILE 18 1.003 -3.955 -9.976 150 HD12 ILE 18 HD12 ILE 18 -0.567 -4.132 -10.760 151 HD13 ILE 18 HD13 ILE 18 -0.355 -4.641 -9.085 152 H GLN 19 H GLN 19 2.581 -9.673 -9.403 153 HA GLN 19 HA GLN 19 1.497 -11.024 -7.021 154 HB2 GLN 19 HB2 GLN 19 3.846 -12.060 -8.571 155 HB3 GLN 19 HB3 GLN 19 2.731 -12.937 -7.532 156 HG2 GLN 19 HG2 GLN 19 2.209 -11.880 -10.296 157 HG3 GLN 19 HG3 GLN 19 2.298 -13.564 -9.784 158 HE21 GLN 19 HE21 GLN 19 0.233 -11.206 -10.648 159 HE22 GLN 19 HE22 GLN 19 -1.192 -11.730 -9.825 160 H GLN 20 H GLN 20 2.335 -10.392 -5.156 161 HA GLN 20 HA GLN 20 4.984 -9.118 -5.157 162 HB2 GLN 20 HB2 GLN 20 4.301 -8.103 -3.017 163 HB3 GLN 20 HB3 GLN 20 3.204 -7.686 -4.327 164 HG2 GLN 20 HG2 GLN 20 1.494 -8.989 -3.492 165 HG3 GLN 20 HG3 GLN 20 2.588 -10.004 -2.553 166 HE21 GLN 20 HE21 GLN 20 0.154 -8.315 -1.917 167 HE22 GLN 20 HE22 GLN 20 0.644 -7.373 -0.554 168 H GLU 21 H GLU 21 5.665 -9.297 -2.528 169 HA GLU 21 HA GLU 21 6.717 -11.920 -2.358 170 HB2 GLU 21 HB2 GLU 21 6.561 -9.928 -0.097 171 HB3 GLU 21 HB3 GLU 21 7.733 -11.221 -0.312 172 HG2 GLU 21 HG2 GLU 21 8.513 -10.029 -2.380 173 HG3 GLU 21 HG3 GLU 21 7.491 -8.678 -1.893 174 H GLU 22 H GLU 22 3.832 -10.435 -1.146 175 HA GLU 22 HA GLU 22 3.175 -11.974 1.033 176 HB2 GLU 22 HB2 GLU 22 1.528 -10.708 -1.126 177 HB3 GLU 22 HB3 GLU 22 0.747 -11.715 0.085 178 HG2 GLU 22 HG2 GLU 22 2.361 -9.226 0.580 179 HG3 GLU 22 HG3 GLU 22 0.615 -9.410 0.742 180 H GLY 23 H GLY 23 1.739 -12.653 -2.155 181 HA2 GLY 23 HA2 GLY 23 2.568 -15.194 -2.636 182 HA3 GLY 23 HA3 GLY 23 1.315 -15.409 -1.423 183 HA PRO 24 HA PRO 24 -1.886 -15.130 -4.401 184 HB2 PRO 24 HB2 PRO 24 -3.659 -13.344 -3.383 185 HB3 PRO 24 HB3 PRO 24 -3.421 -14.957 -2.701 186 HG2 PRO 24 HG2 PRO 24 -2.309 -12.332 -1.788 187 HG3 PRO 24 HG3 PRO 24 -2.989 -13.655 -0.823 188 HD2 PRO 24 HD2 PRO 24 -0.323 -13.274 -1.098 189 HD3 PRO 24 HD3 PRO 24 -1.042 -14.886 -0.909 190 H ASP 25 H ASP 25 -3.048 -13.769 -5.960 191 HA ASP 25 HA ASP 25 -1.332 -11.677 -6.965 192 HB2 ASP 25 HB2 ASP 25 -2.945 -11.632 -8.868 193 HB3 ASP 25 HB3 ASP 25 -2.263 -13.228 -8.562 194 H VAL 26 H VAL 26 -2.659 -9.741 -8.008 195 HA VAL 26 HA VAL 26 -4.554 -8.702 -6.015 196 HB VAL 26 HB VAL 26 -2.027 -7.837 -5.956 197 HG11 VAL 26 HG11 VAL 26 -2.384 -7.099 -8.411 198 HG12 VAL 26 HG12 VAL 26 -3.259 -5.741 -7.701 199 HG13 VAL 26 HG13 VAL 26 -1.562 -6.005 -7.299 200 HG21 VAL 26 HG21 VAL 26 -3.610 -7.124 -4.349 201 HG22 VAL 26 HG22 VAL 26 -2.958 -5.655 -5.076 202 HG23 VAL 26 HG23 VAL 26 -4.549 -6.245 -5.556 203 H PHE 27 H PHE 27 -6.025 -7.138 -6.788 204 HA PHE 27 HA PHE 27 -6.624 -7.424 -9.605 205 HB2 PHE 27 HB2 PHE 27 -8.249 -7.340 -7.494 206 HB3 PHE 27 HB3 PHE 27 -8.217 -5.617 -7.853 207 HD1 PHE 27 HD1 PHE 27 -9.111 -8.938 -9.161 208 HD2 PHE 27 HD2 PHE 27 -9.343 -4.728 -9.745 209 HE1 PHE 27 HE1 PHE 27 -10.805 -9.277 -10.913 210 HE2 PHE 27 HE2 PHE 27 -11.038 -5.061 -11.497 211 HZ PHE 27 HZ PHE 27 -11.771 -7.338 -12.084 212 H VAL 28 H VAL 28 -5.789 -6.112 -11.075 213 HA VAL 28 HA VAL 28 -5.347 -3.288 -10.356 214 HB VAL 28 HB VAL 28 -3.245 -3.262 -11.153 215 HG11 VAL 28 HG11 VAL 28 -3.125 -5.091 -9.592 216 HG12 VAL 28 HG12 VAL 28 -3.619 -6.238 -10.840 217 HG13 VAL 28 HG13 VAL 28 -2.056 -5.428 -10.953 218 HG21 VAL 28 HG21 VAL 28 -3.794 -3.478 -13.450 219 HG22 VAL 28 HG22 VAL 28 -2.511 -4.645 -13.131 220 HG23 VAL 28 HG23 VAL 28 -4.184 -5.188 -13.268 221 H HIS 29 H HIS 29 -5.850 -1.752 -11.891 222 HA HIS 29 HA HIS 29 -6.825 -2.634 -14.497 223 HB2 HIS 29 HB2 HIS 29 -8.511 -1.571 -12.315 224 HB3 HIS 29 HB3 HIS 29 -8.775 -0.843 -13.897 225 HD1 HIS 29 HD1 HIS 29 -10.418 -2.030 -15.307 226 HD2 HIS 29 HD2 HIS 29 -8.678 -4.559 -12.508 227 HE1 HIS 29 HE1 HIS 29 -11.576 -4.244 -15.590 228 H PHE 30 H PHE 30 -7.152 -0.842 -16.002 229 HA PHE 30 HA PHE 30 -5.015 0.970 -15.977 230 HB2 PHE 30 HB2 PHE 30 -5.872 1.811 -18.009 231 HB3 PHE 30 HB3 PHE 30 -6.363 0.120 -17.981 232 HD1 PHE 30 HD2 PHE 30 -8.736 -0.352 -17.022 233 HD2 PHE 30 HD1 PHE 30 -7.438 3.439 -18.457 234 HE1 PHE 30 HE2 PHE 30 -11.079 0.322 -17.351 235 HE2 PHE 30 HE1 PHE 30 -9.779 4.120 -18.787 236 HZ PHE 30 HZ PHE 30 -11.603 2.561 -18.233 237 H THR 31 H THR 31 -8.090 1.120 -14.494 238 HA THR 31 HA THR 31 -8.173 4.008 -14.315 239 HB THR 31 HB THR 31 -10.183 3.682 -12.948 240 HG1 THR 31 HG1 THR 31 -9.653 0.896 -13.268 241 HG21 THR 31 HG21 THR 31 -10.798 1.720 -15.018 242 HG22 THR 31 HG22 THR 31 -9.907 3.113 -15.630 243 HG23 THR 31 HG23 THR 31 -11.433 3.347 -14.778 244 H ALA 32 H ALA 32 -6.251 1.845 -12.896 245 HA ALA 32 HA ALA 32 -6.186 3.323 -10.346 246 HB1 ALA 32 HB1 ALA 32 -6.710 0.641 -10.618 247 HB2 ALA 32 HB2 ALA 32 -4.985 0.670 -10.251 248 HB3 ALA 32 HB3 ALA 32 -6.134 1.436 -9.153 249 H ILE 33 H ILE 33 -4.386 1.877 -12.971 250 HA ILE 33 HA ILE 33 -1.790 2.030 -12.063 251 HB ILE 33 HB ILE 33 -2.901 2.525 -14.818 252 HG12 ILE 33 HG12 ILE 33 -1.162 0.218 -14.100 253 HG13 ILE 33 HG13 ILE 33 -2.803 0.222 -13.463 254 HG21 ILE 33 HG21 ILE 33 -0.038 2.474 -13.903 255 HG22 ILE 33 HG22 ILE 33 -0.511 2.159 -15.571 256 HG23 ILE 33 HG23 ILE 33 -0.867 3.721 -14.835 257 HD11 ILE 33 HD11 ILE 33 -1.888 -0.492 -16.057 258 HD12 ILE 33 HD12 ILE 33 -3.518 -0.582 -15.389 259 HD13 ILE 33 HD13 ILE 33 -2.974 0.890 -16.194 260 H GLU 34 H GLU 34 -0.472 3.620 -11.467 261 HA GLU 34 HA GLU 34 -1.293 6.387 -12.027 262 HB2 GLU 34 HB2 GLU 34 0.580 5.340 -9.896 263 HB3 GLU 34 HB3 GLU 34 0.093 7.016 -10.103 264 HG2 GLU 34 HG2 GLU 34 -2.113 5.099 -9.822 265 HG3 GLU 34 HG3 GLU 34 -1.081 5.281 -8.404 266 H ALA 35 H ALA 35 -0.369 6.668 -14.043 267 HA ALA 35 HA ALA 35 2.550 6.917 -14.028 268 HB1 ALA 35 HB1 ALA 35 2.780 5.853 -16.183 269 HB2 ALA 35 HB2 ALA 35 2.008 4.739 -15.054 270 HB3 ALA 35 HB3 ALA 35 1.040 5.577 -16.267 271 H ASP 36 H ASP 36 3.275 8.072 -16.115 272 HA ASP 36 HA ASP 36 1.446 10.332 -16.537 273 HB2 ASP 36 HB2 ASP 36 4.403 10.053 -16.424 274 HB3 ASP 36 HB3 ASP 36 3.755 11.252 -17.541 275 H GLY 37 H GLY 37 0.274 8.924 -18.086 276 HA2 GLY 37 HA2 GLY 37 -0.050 9.374 -20.514 277 HA3 GLY 37 HA3 GLY 37 1.632 8.903 -20.712 278 H PHE 38 H PHE 38 -1.093 7.838 -21.657 279 HA PHE 38 HA PHE 38 -1.654 5.362 -20.570 280 HB2 PHE 38 HB2 PHE 38 -2.624 4.778 -22.743 281 HB3 PHE 38 HB3 PHE 38 -3.037 6.430 -22.298 282 HD1 PHE 38 HD2 PHE 38 -1.889 8.326 -23.406 283 HD2 PHE 38 HD1 PHE 38 -1.364 4.301 -24.685 284 HE1 PHE 38 HE2 PHE 38 -0.995 9.129 -25.553 285 HE2 PHE 38 HE1 PHE 38 -0.469 5.096 -26.834 286 HZ PHE 38 HZ PHE 38 -0.282 7.513 -27.270 287 H ARG 39 H ARG 39 -0.569 3.519 -20.405 288 HA ARG 39 HA ARG 39 1.167 2.556 -22.466 289 HB2 ARG 39 HB2 ARG 39 2.438 4.302 -20.884 290 HB3 ARG 39 HB3 ARG 39 2.624 2.860 -19.895 291 HG2 ARG 39 HG2 ARG 39 3.314 2.715 -22.786 292 HG3 ARG 39 HG3 ARG 39 4.424 3.521 -21.676 293 HD2 ARG 39 HD2 ARG 39 4.152 1.384 -20.240 294 HD3 ARG 39 HD3 ARG 39 3.546 0.659 -21.729 295 HE ARG 39 HE ARG 39 6.269 1.367 -21.124 296 HH11 ARG 39 HH11 ARG 39 3.952 0.754 -23.649 297 HH12 ARG 39 HH12 ARG 39 5.152 0.333 -24.826 298 HH21 ARG 39 HH21 ARG 39 7.857 0.815 -22.664 299 HH22 ARG 39 HH22 ARG 39 7.373 0.367 -24.265 300 H THR 40 H THR 40 1.109 0.401 -22.451 301 HA THR 40 HA THR 40 -0.253 -0.962 -20.306 302 HB THR 40 HB THR 40 -0.617 -1.543 -22.708 303 HG1 THR 40 HG1 THR 40 -0.394 -3.887 -22.275 304 HG21 THR 40 HG21 THR 40 2.120 -1.545 -22.880 305 HG22 THR 40 HG22 THR 40 1.024 -2.236 -24.076 306 HG23 THR 40 HG23 THR 40 1.743 -3.267 -22.839 307 H LEU 41 H LEU 41 0.716 -3.215 -19.706 308 HA LEU 41 HA LEU 41 3.488 -2.747 -18.838 309 HB2 LEU 41 HB2 LEU 41 1.650 -2.976 -17.112 310 HB3 LEU 41 HB3 LEU 41 1.523 -4.663 -17.607 311 HG LEU 41 HG LEU 41 3.744 -5.122 -16.822 312 HD11 LEU 41 HD11 LEU 41 3.920 -2.167 -16.256 313 HD12 LEU 41 HD12 LEU 41 4.856 -3.077 -17.441 314 HD13 LEU 41 HD13 LEU 41 5.092 -3.371 -15.719 315 HD21 LEU 41 HD21 LEU 41 3.442 -4.815 -14.472 316 HD22 LEU 41 HD22 LEU 41 1.852 -5.074 -15.191 317 HD23 LEU 41 HD23 LEU 41 2.359 -3.447 -14.734 318 H ASN 42 H ASN 42 4.740 -4.822 -18.451 319 HA ASN 42 HA ASN 42 4.173 -6.746 -20.610 320 HB2 ASN 42 HB2 ASN 42 6.950 -6.078 -19.653 321 HB3 ASN 42 HB3 ASN 42 6.471 -6.888 -21.142 322 HD21 ASN 42 HD21 ASN 42 4.766 -5.397 -22.371 323 HD22 ASN 42 HD22 ASN 42 5.345 -3.793 -22.651 324 H GLU 43 H GLU 43 3.969 -8.799 -20.001 325 HA GLU 43 HA GLU 43 3.923 -9.635 -17.361 326 HB2 GLU 43 HB2 GLU 43 2.811 -10.905 -19.082 327 HB3 GLU 43 HB3 GLU 43 4.339 -11.243 -19.883 328 HG2 GLU 43 HG2 GLU 43 5.045 -12.511 -17.865 329 HG3 GLU 43 HG3 GLU 43 3.424 -12.278 -17.212 330 H GLY 44 H GLY 44 5.485 -9.905 -15.919 331 HA2 GLY 44 HA2 GLY 44 7.481 -11.153 -15.289 332 HA3 GLY 44 HA3 GLY 44 8.136 -10.784 -16.878 333 H GLU 45 H GLU 45 6.855 -7.984 -16.368 334 HA GLU 45 HA GLU 45 9.291 -6.828 -15.335 335 HB2 GLU 45 HB2 GLU 45 8.062 -5.851 -17.266 336 HB3 GLU 45 HB3 GLU 45 6.735 -5.456 -16.183 337 HG2 GLU 45 HG2 GLU 45 7.823 -3.709 -15.255 338 HG3 GLU 45 HG3 GLU 45 9.405 -4.471 -15.405 339 H HIS 46 H HIS 46 9.317 -5.233 -13.615 340 HA HIS 46 HA HIS 46 7.633 -6.072 -11.390 341 HB2 HIS 46 HB2 HIS 46 9.730 -3.991 -11.039 342 HB3 HIS 46 HB3 HIS 46 9.290 -5.335 -9.988 343 HD1 HIS 46 HD1 HIS 46 10.367 -7.650 -10.515 344 HD2 HIS 46 HD2 HIS 46 11.732 -4.526 -12.891 345 HE1 HIS 46 HE1 HIS 46 12.440 -8.519 -11.643 346 H VAL 47 H VAL 47 6.216 -4.770 -10.310 347 HA VAL 47 HA VAL 47 6.025 -1.948 -10.905 348 HB VAL 47 HB VAL 47 3.693 -2.018 -11.653 349 HG11 VAL 47 HG11 VAL 47 5.635 -2.046 -13.258 350 HG12 VAL 47 HG12 VAL 47 5.355 -3.779 -13.441 351 HG13 VAL 47 HG13 VAL 47 4.102 -2.628 -13.908 352 HG21 VAL 47 HG21 VAL 47 2.574 -4.048 -12.219 353 HG22 VAL 47 HG22 VAL 47 4.024 -5.002 -11.907 354 HG23 VAL 47 HG23 VAL 47 3.179 -4.220 -10.571 355 H GLU 48 H GLU 48 4.914 -0.803 -9.350 356 HA GLU 48 HA GLU 48 4.347 -2.263 -6.905 357 HB2 GLU 48 HB2 GLU 48 5.696 -0.150 -6.927 358 HB3 GLU 48 HB3 GLU 48 4.238 0.717 -7.389 359 HG2 GLU 48 HG2 GLU 48 3.181 0.209 -5.324 360 HG3 GLU 48 HG3 GLU 48 4.457 -0.924 -4.882 361 H PHE 49 H PHE 49 2.401 -1.726 -5.629 362 HA PHE 49 HA PHE 49 0.104 -0.650 -6.957 363 HB2 PHE 49 HB2 PHE 49 -1.234 -2.708 -6.976 364 HB3 PHE 49 HB3 PHE 49 0.173 -2.859 -8.023 365 HD1 PHE 49 HD1 PHE 49 2.132 -4.190 -7.258 366 HD2 PHE 49 HD2 PHE 49 -1.558 -4.148 -5.138 367 HE1 PHE 49 HE1 PHE 49 2.789 -6.248 -6.080 368 HE2 PHE 49 HE2 PHE 49 -0.907 -6.204 -3.955 369 HZ PHE 49 HZ PHE 49 1.270 -7.257 -4.425 370 H GLU 50 H GLU 50 -1.299 0.110 -5.489 371 HA GLU 50 HA GLU 50 -0.794 -0.530 -2.680 372 HB2 GLU 50 HB2 GLU 50 -1.822 1.808 -4.150 373 HB3 GLU 50 HB3 GLU 50 -2.643 1.471 -2.632 374 HG2 GLU 50 HG2 GLU 50 0.309 1.438 -2.579 375 HG3 GLU 50 HG3 GLU 50 -0.469 3.002 -2.810 376 H VAL 51 H VAL 51 -1.892 -2.339 -2.148 377 HA VAL 51 HA VAL 51 -4.384 -3.121 -3.182 378 HB VAL 51 HB VAL 51 -3.059 -4.804 -2.171 379 HG11 VAL 51 HG11 VAL 51 -3.004 -4.380 0.561 380 HG12 VAL 51 HG12 VAL 51 -1.653 -4.180 -0.557 381 HG13 VAL 51 HG13 VAL 51 -2.652 -2.792 -0.121 382 HG21 VAL 51 HG21 VAL 51 -5.664 -4.599 -1.657 383 HG22 VAL 51 HG22 VAL 51 -4.684 -5.932 -1.048 384 HG23 VAL 51 HG23 VAL 51 -5.062 -4.566 0.000 385 H GLU 52 H GLU 52 -6.355 -2.359 -2.823 386 HA GLU 52 HA GLU 52 -6.841 -0.837 -0.346 387 HB2 GLU 52 HB2 GLU 52 -7.632 -0.349 -3.171 388 HB3 GLU 52 HB3 GLU 52 -8.795 0.080 -1.924 389 HG2 GLU 52 HG2 GLU 52 -5.991 1.118 -2.232 390 HG3 GLU 52 HG3 GLU 52 -7.496 2.009 -2.453 391 HA PRO 53 HA PRO 53 -10.047 -3.626 0.750 392 HB2 PRO 53 HB2 PRO 53 -11.811 -1.961 1.970 393 HB3 PRO 53 HB3 PRO 53 -10.267 -2.425 2.696 394 HG2 PRO 53 HG2 PRO 53 -10.992 0.079 1.223 395 HG3 PRO 53 HG3 PRO 53 -10.042 -0.110 2.709 396 HD2 PRO 53 HD2 PRO 53 -8.895 0.280 0.287 397 HD3 PRO 53 HD3 PRO 53 -8.128 -0.689 1.562 398 H GLY 54 H GLY 54 -12.249 -0.951 0.443 399 HA2 GLY 54 HA2 GLY 54 -13.875 -2.457 -1.409 400 HA3 GLY 54 HA3 GLY 54 -14.274 -0.903 -0.691 401 H ARG 55 H ARG 55 -11.854 -2.237 -2.950 402 HA ARG 55 HA ARG 55 -12.489 -0.023 -4.777 403 HB2 ARG 55 HB2 ARG 55 -10.195 -0.036 -3.350 404 HB3 ARG 55 HB3 ARG 55 -9.686 -0.973 -4.748 405 HG2 ARG 55 HG2 ARG 55 -9.148 1.328 -5.119 406 HG3 ARG 55 HG3 ARG 55 -10.461 0.873 -6.207 407 HD2 ARG 55 HD2 ARG 55 -11.882 1.755 -4.098 408 HD3 ARG 55 HD3 ARG 55 -10.439 2.754 -3.933 409 HE ARG 55 HE ARG 55 -11.096 3.004 -6.554 410 HH11 ARG 55 HH11 ARG 55 -12.836 3.445 -3.571 411 HH12 ARG 55 HH12 ARG 55 -13.876 4.675 -4.208 412 HH21 ARG 55 HH21 ARG 55 -12.459 4.623 -7.404 413 HH22 ARG 55 HH22 ARG 55 -13.662 5.344 -6.389 414 H GLY 56 H GLY 56 -11.058 -3.239 -4.387 415 HA2 GLY 56 HA2 GLY 56 -11.492 -3.732 -7.258 416 HA3 GLY 56 HA3 GLY 56 -10.414 -4.655 -6.222 417 H GLY 57 H GLY 57 -12.566 -5.584 -7.987 418 HA2 GLY 57 HA2 GLY 57 -14.920 -6.283 -6.758 419 HA3 GLY 57 HA3 GLY 57 -14.094 -7.303 -7.927 420 H LYS 58 H LYS 58 -11.979 -8.305 -6.768 421 HA LYS 58 HA LYS 58 -13.033 -10.141 -4.866 422 HB2 LYS 58 HB2 LYS 58 -10.137 -9.700 -5.606 423 HB3 LYS 58 HB3 LYS 58 -10.829 -11.140 -4.871 424 HG2 LYS 58 HG2 LYS 58 -11.551 -10.118 -7.609 425 HG3 LYS 58 HG3 LYS 58 -10.348 -11.370 -7.291 426 HD2 LYS 58 HD2 LYS 58 -11.940 -12.918 -7.173 427 HD3 LYS 58 HD3 LYS 58 -12.776 -12.008 -5.913 428 HE2 LYS 58 HE2 LYS 58 -13.904 -10.674 -7.619 429 HE3 LYS 58 HE3 LYS 58 -13.050 -11.557 -8.884 430 HZ1 LYS 58 HZ1 LYS 58 -15.374 -12.315 -8.413 431 HZ2 LYS 58 HZ2 LYS 58 -14.827 -12.881 -6.917 432 HZ3 LYS 58 HZ3 LYS 58 -14.199 -13.530 -8.347 433 H GLY 59 H GLY 59 -11.808 -7.030 -4.550 434 HA2 GLY 59 HA2 GLY 59 -12.114 -6.143 -2.237 435 HA3 GLY 59 HA3 GLY 59 -11.151 -7.515 -1.709 436 HA PRO 60 HA PRO 60 -7.472 -5.167 -2.063 437 HB2 PRO 60 HB2 PRO 60 -5.688 -7.003 -2.966 438 HB3 PRO 60 HB3 PRO 60 -6.330 -7.017 -1.319 439 HG2 PRO 60 HG2 PRO 60 -7.161 -8.645 -3.690 440 HG3 PRO 60 HG3 PRO 60 -6.933 -9.155 -2.007 441 HD2 PRO 60 HD2 PRO 60 -9.377 -8.656 -3.059 442 HD3 PRO 60 HD3 PRO 60 -8.992 -8.354 -1.352 443 H GLN 61 H GLN 61 -7.352 -3.612 -3.568 444 HA GLN 61 HA GLN 61 -6.906 -4.424 -6.365 445 HB2 GLN 61 HB2 GLN 61 -9.044 -3.002 -5.471 446 HB3 GLN 61 HB3 GLN 61 -7.930 -1.702 -5.875 447 HG2 GLN 61 HG2 GLN 61 -7.661 -2.830 -8.128 448 HG3 GLN 61 HG3 GLN 61 -9.050 -3.819 -7.681 449 HE21 GLN 61 HE21 GLN 61 -8.284 -0.386 -7.234 450 HE22 GLN 61 HE22 GLN 61 -9.709 0.210 -8.008 451 H ALA 62 H ALA 62 -5.791 -2.637 -7.651 452 HA ALA 62 HA ALA 62 -3.453 -1.778 -6.116 453 HB1 ALA 62 HB1 ALA 62 -3.931 -2.093 -9.070 454 HB2 ALA 62 HB2 ALA 62 -2.467 -1.377 -8.396 455 HB3 ALA 62 HB3 ALA 62 -2.877 -3.053 -8.032 456 H LYS 63 H LYS 63 -5.187 -0.140 -5.262 457 HA LYS 63 HA LYS 63 -6.187 1.978 -6.659 458 HB2 LYS 63 HB2 LYS 63 -6.649 1.754 -4.317 459 HB3 LYS 63 HB3 LYS 63 -4.950 1.942 -3.906 460 HG2 LYS 63 HG2 LYS 63 -6.294 3.949 -3.428 461 HG3 LYS 63 HG3 LYS 63 -4.987 4.250 -4.575 462 HD2 LYS 63 HD2 LYS 63 -6.955 5.363 -5.370 463 HD3 LYS 63 HD3 LYS 63 -6.642 3.981 -6.422 464 HE2 LYS 63 HE2 LYS 63 -8.748 3.356 -6.064 465 HE3 LYS 63 HE3 LYS 63 -8.275 2.976 -4.409 466 HZ1 LYS 63 HZ1 LYS 63 -9.527 4.626 -3.666 467 HZ2 LYS 63 HZ2 LYS 63 -10.099 4.883 -5.237 468 HZ3 LYS 63 HZ3 LYS 63 -8.760 5.749 -4.672 469 H LYS 64 H LYS 64 -2.862 1.507 -5.596 470 HA LYS 64 HA LYS 64 -2.075 3.770 -7.304 471 HB2 LYS 64 HB2 LYS 64 -0.568 3.098 -4.795 472 HB3 LYS 64 HB3 LYS 64 -0.542 4.587 -5.730 473 HG2 LYS 64 HG2 LYS 64 -3.143 3.862 -4.556 474 HG3 LYS 64 HG3 LYS 64 -1.869 4.292 -3.413 475 HD2 LYS 64 HD2 LYS 64 -2.973 6.313 -3.908 476 HD3 LYS 64 HD3 LYS 64 -1.483 6.352 -4.853 477 HE2 LYS 64 HE2 LYS 64 -2.725 5.597 -6.826 478 HE3 LYS 64 HE3 LYS 64 -4.211 5.570 -5.879 479 HZ1 LYS 64 HZ1 LYS 64 -2.583 7.937 -6.611 480 HZ2 LYS 64 HZ2 LYS 64 -3.829 7.989 -5.468 481 HZ3 LYS 64 HZ3 LYS 64 -4.174 7.594 -7.076 482 H VAL 65 H VAL 65 -1.314 2.623 -9.013 483 HA VAL 65 HA VAL 65 0.659 0.507 -8.491 484 HB VAL 65 HB VAL 65 -1.443 0.791 -10.434 485 HG11 VAL 65 HG11 VAL 65 0.230 1.694 -11.923 486 HG12 VAL 65 HG12 VAL 65 1.326 0.362 -11.550 487 HG13 VAL 65 HG13 VAL 65 -0.176 0.052 -12.422 488 HG21 VAL 65 HG21 VAL 65 -0.596 -1.172 -8.922 489 HG22 VAL 65 HG22 VAL 65 -1.335 -1.506 -10.487 490 HG23 VAL 65 HG23 VAL 65 0.420 -1.536 -10.317 491 H ARG 66 H ARG 66 2.695 0.564 -9.390 492 HA ARG 66 HA ARG 66 3.439 2.996 -10.866 493 HB2 ARG 66 HB2 ARG 66 5.209 1.773 -8.756 494 HB3 ARG 66 HB3 ARG 66 5.382 3.333 -9.549 495 HG2 ARG 66 HG2 ARG 66 3.333 4.104 -8.418 496 HG3 ARG 66 HG3 ARG 66 3.246 2.556 -7.576 497 HD2 ARG 66 HD2 ARG 66 5.254 2.978 -6.399 498 HD3 ARG 66 HD3 ARG 66 5.659 4.345 -7.436 499 HE ARG 66 HE ARG 66 3.196 4.712 -6.022 500 HH11 ARG 66 HH11 ARG 66 6.661 4.967 -5.794 501 HH12 ARG 66 HH12 ARG 66 6.621 6.180 -4.557 502 HH21 ARG 66 HH21 ARG 66 3.130 6.308 -4.394 503 HH22 ARG 66 HH22 ARG 66 4.612 6.941 -3.761 504 H ARG 67 H ARG 67 5.258 2.788 -12.250 505 HA ARG 67 HA ARG 67 5.601 0.073 -13.246 506 HB2 ARG 67 HB2 ARG 67 6.181 2.807 -14.333 507 HB3 ARG 67 HB3 ARG 67 6.951 1.396 -15.046 508 HG2 ARG 67 HG2 ARG 67 4.773 0.432 -15.535 509 HG3 ARG 67 HG3 ARG 67 3.981 1.817 -14.781 510 HD2 ARG 67 HD2 ARG 67 5.749 1.871 -17.224 511 HD3 ARG 67 HD3 ARG 67 3.996 2.056 -17.198 512 HE ARG 67 HE ARG 67 4.949 4.030 -15.553 513 HH11 ARG 67 HH11 ARG 67 5.420 3.105 -18.876 514 HH12 ARG 67 HH12 ARG 67 5.730 4.721 -19.418 515 HH21 ARG 67 HH21 ARG 67 5.356 6.162 -16.254 516 HH22 ARG 67 HH22 ARG 67 5.694 6.459 -17.926 517 H ILE 68 H ILE 68 7.395 -1.111 -13.008 518 HA ILE 68 HA ILE 68 9.875 0.209 -12.167 519 HB ILE 68 HB ILE 68 8.706 -2.228 -10.819 520 HG12 ILE 68 HG12 ILE 68 8.053 0.365 -10.335 521 HG13 ILE 68 HG13 ILE 68 8.025 -0.902 -9.113 522 HG21 ILE 68 HG21 ILE 68 10.695 -1.972 -9.309 523 HG22 ILE 68 HG22 ILE 68 11.062 -2.512 -10.947 524 HG23 ILE 68 HG23 ILE 68 11.353 -0.835 -10.486 525 HD11 ILE 68 HD11 ILE 68 10.446 0.795 -9.620 526 HD12 ILE 68 HD12 ILE 68 9.175 1.252 -8.486 527 HD13 ILE 68 HD13 ILE 68 10.096 -0.229 -8.228 Start of MODEL 9 1 H1 MET 1 H MET 1 1.015 -0.780 0.994 2 HA MET 1 HA MET 1 1.022 -0.201 -1.884 3 HB2 MET 1 HB2 MET 1 3.238 0.992 -1.503 4 HB3 MET 1 HB3 MET 1 1.788 1.849 -0.999 5 HG2 MET 1 HG2 MET 1 2.363 1.818 1.167 6 HG3 MET 1 HG3 MET 1 3.026 0.188 1.076 7 HE1 MET 1 HE1 MET 1 5.168 2.832 2.690 8 HE2 MET 1 HE2 MET 1 4.259 1.332 2.874 9 HE3 MET 1 HE3 MET 1 5.981 1.279 2.492 10 H LYS 2 H LYS 2 1.558 -2.119 -2.720 11 HA LYS 2 HA LYS 2 3.902 -3.505 -1.591 12 HB2 LYS 2 HB2 LYS 2 1.518 -4.772 -2.953 13 HB3 LYS 2 HB3 LYS 2 2.912 -5.625 -2.305 14 HG2 LYS 2 HG2 LYS 2 1.017 -3.968 -0.655 15 HG3 LYS 2 HG3 LYS 2 0.909 -5.719 -0.853 16 HD2 LYS 2 HD2 LYS 2 3.180 -5.934 0.090 17 HD3 LYS 2 HD3 LYS 2 3.217 -4.188 0.348 18 HE2 LYS 2 HE2 LYS 2 2.545 -4.916 2.418 19 HE3 LYS 2 HE3 LYS 2 0.986 -4.643 1.643 20 HZ1 LYS 2 HZ1 LYS 2 2.353 -7.275 1.780 21 HZ2 LYS 2 HZ2 LYS 2 0.800 -6.974 1.182 22 HZ3 LYS 2 HZ3 LYS 2 1.123 -6.779 2.831 23 H LYS 3 H LYS 3 5.330 -4.501 -3.055 24 HA LYS 3 HA LYS 3 5.015 -3.656 -5.860 25 HB2 LYS 3 HB2 LYS 3 7.612 -3.825 -4.323 26 HB3 LYS 3 HB3 LYS 3 7.417 -3.294 -5.988 27 HG2 LYS 3 HG2 LYS 3 6.399 -1.292 -5.356 28 HG3 LYS 3 HG3 LYS 3 6.042 -1.882 -3.731 29 HD2 LYS 3 HD2 LYS 3 8.861 -1.558 -4.718 30 HD3 LYS 3 HD3 LYS 3 7.969 -0.219 -3.990 31 HE2 LYS 3 HE2 LYS 3 8.055 -2.825 -2.553 32 HE3 LYS 3 HE3 LYS 3 9.498 -1.811 -2.542 33 HZ1 LYS 3 HZ1 LYS 3 8.078 -1.362 -0.639 34 HZ2 LYS 3 HZ2 LYS 3 6.790 -0.966 -1.661 35 HZ3 LYS 3 HZ3 LYS 3 8.180 -0.001 -1.640 36 H GLY 4 H GLY 4 5.364 -5.165 -7.402 37 HA2 GLY 4 HA2 GLY 4 6.946 -7.500 -7.002 38 HA3 GLY 4 HA3 GLY 4 5.235 -7.870 -6.850 39 H THR 5 H THR 5 6.527 -9.160 -8.782 40 HA THR 5 HA THR 5 6.563 -7.773 -11.280 41 HB THR 5 HB THR 5 6.618 -10.207 -12.190 42 HG1 THR 5 HG1 THR 5 5.854 -11.088 -10.138 43 HG21 THR 5 HG21 THR 5 9.036 -10.420 -11.201 44 HG22 THR 5 HG22 THR 5 8.702 -8.807 -10.571 45 HG23 THR 5 HG23 THR 5 8.642 -9.106 -12.308 46 H VAL 6 H VAL 6 5.212 -8.298 -13.128 47 HA VAL 6 HA VAL 6 2.418 -8.642 -12.322 48 HB VAL 6 HB VAL 6 3.058 -6.642 -13.664 49 HG11 VAL 6 HG11 VAL 6 4.097 -6.749 -15.652 50 HG12 VAL 6 HG12 VAL 6 4.577 -8.363 -15.124 51 HG13 VAL 6 HG13 VAL 6 3.173 -8.158 -16.172 52 HG21 VAL 6 HG21 VAL 6 1.107 -8.587 -14.888 53 HG22 VAL 6 HG22 VAL 6 0.767 -7.348 -13.680 54 HG23 VAL 6 HG23 VAL 6 1.210 -6.881 -15.322 55 H LYS 7 H LYS 7 1.283 -10.407 -12.806 56 HA LYS 7 HA LYS 7 2.553 -12.630 -14.090 57 HB2 LYS 7 HB2 LYS 7 0.697 -12.504 -12.184 58 HB3 LYS 7 HB3 LYS 7 -0.381 -12.622 -13.568 59 HG2 LYS 7 HG2 LYS 7 0.164 -14.772 -13.985 60 HG3 LYS 7 HG3 LYS 7 1.841 -14.561 -13.476 61 HD2 LYS 7 HD2 LYS 7 0.645 -16.039 -11.948 62 HD3 LYS 7 HD3 LYS 7 1.127 -14.549 -11.133 63 HE2 LYS 7 HE2 LYS 7 -0.991 -14.294 -10.506 64 HE3 LYS 7 HE3 LYS 7 -1.402 -14.028 -12.200 65 HZ1 LYS 7 HZ1 LYS 7 -1.433 -16.614 -12.251 66 HZ2 LYS 7 HZ2 LYS 7 -2.772 -15.762 -11.668 67 HZ3 LYS 7 HZ3 LYS 7 -1.678 -16.463 -10.584 68 H TRP 8 H TRP 8 0.091 -10.280 -14.975 69 HA TRP 8 HA TRP 8 0.548 -10.566 -17.735 70 HB2 TRP 8 HB2 TRP 8 -1.511 -11.638 -18.461 71 HB3 TRP 8 HB3 TRP 8 -0.624 -12.719 -17.390 72 HD1 TRP 8 HD1 TRP 8 -3.551 -10.177 -17.105 73 HE1 TRP 8 HE1 TRP 8 -5.228 -11.099 -15.384 74 HE3 TRP 8 HE3 TRP 8 -1.024 -14.389 -15.684 75 HZ2 TRP 8 HZ2 TRP 8 -5.450 -13.317 -13.653 76 HZ3 TRP 8 HZ3 TRP 8 -2.038 -15.857 -13.990 77 HH2 TRP 8 HH2 TRP 8 -4.205 -15.330 -12.996 78 H PHE 9 H PHE 9 -0.501 -8.987 -18.937 79 HA PHE 9 HA PHE 9 -2.468 -7.317 -17.547 80 HB2 PHE 9 HB2 PHE 9 -0.183 -6.338 -17.237 81 HB3 PHE 9 HB3 PHE 9 -0.065 -6.179 -18.986 82 HD1 PHE 9 HD2 PHE 9 -1.651 -4.913 -15.948 83 HD2 PHE 9 HD1 PHE 9 -1.348 -4.513 -20.175 84 HE1 PHE 9 HE2 PHE 9 -2.763 -2.723 -15.817 85 HE2 PHE 9 HE1 PHE 9 -2.459 -2.321 -20.050 86 HZ PHE 9 HZ PHE 9 -3.168 -1.423 -17.869 87 H ASN 10 H ASN 10 -4.191 -7.563 -18.829 88 HA ASN 10 HA ASN 10 -3.901 -7.765 -21.705 89 HB2 ASN 10 HB2 ASN 10 -5.612 -8.985 -20.087 90 HB3 ASN 10 HB3 ASN 10 -6.572 -7.539 -20.389 91 HD21 ASN 10 HD21 ASN 10 -8.119 -8.217 -21.714 92 HD22 ASN 10 HD22 ASN 10 -7.862 -9.021 -23.221 93 H ALA 11 H ALA 11 -3.762 -6.021 -22.938 94 HA ALA 11 HA ALA 11 -4.610 -3.433 -21.971 95 HB1 ALA 11 HB1 ALA 11 -3.614 -3.953 -24.747 96 HB2 ALA 11 HB2 ALA 11 -3.424 -2.514 -23.744 97 HB3 ALA 11 HB3 ALA 11 -2.510 -3.976 -23.371 98 H GLU 12 H GLU 12 -5.825 -5.910 -24.064 99 HA GLU 12 HA GLU 12 -7.562 -4.413 -25.671 100 HB2 GLU 12 HB2 GLU 12 -7.603 -7.263 -24.713 101 HB3 GLU 12 HB3 GLU 12 -8.898 -6.622 -25.714 102 HG2 GLU 12 HG2 GLU 12 -7.201 -6.008 -27.417 103 HG3 GLU 12 HG3 GLU 12 -5.983 -6.815 -26.431 104 H LYS 13 H LYS 13 -7.950 -5.736 -22.430 105 HA LYS 13 HA LYS 13 -10.640 -4.569 -22.276 106 HB2 LYS 13 HB2 LYS 13 -9.249 -6.528 -20.439 107 HB3 LYS 13 HB3 LYS 13 -10.885 -5.922 -20.217 108 HG2 LYS 13 HG2 LYS 13 -10.271 -7.184 -22.820 109 HG3 LYS 13 HG3 LYS 13 -10.344 -8.242 -21.408 110 HD2 LYS 13 HD2 LYS 13 -12.532 -8.236 -22.239 111 HD3 LYS 13 HD3 LYS 13 -12.575 -7.090 -20.897 112 HE2 LYS 13 HE2 LYS 13 -12.718 -5.257 -22.297 113 HE3 LYS 13 HE3 LYS 13 -12.001 -6.113 -23.661 114 HZ1 LYS 13 HZ1 LYS 13 -14.577 -5.621 -23.508 115 HZ2 LYS 13 HZ2 LYS 13 -14.567 -7.090 -22.669 116 HZ3 LYS 13 HZ3 LYS 13 -13.976 -7.017 -24.253 117 H GLY 14 H GLY 14 -7.467 -4.540 -20.735 118 HA2 GLY 14 HA2 GLY 14 -6.536 -2.562 -19.796 119 HA3 GLY 14 HA3 GLY 14 -8.164 -1.959 -19.524 120 H TYR 15 H TYR 15 -6.704 -5.073 -18.641 121 HA TYR 15 HA TYR 15 -6.766 -4.338 -15.825 122 HB2 TYR 15 HB2 TYR 15 -8.242 -6.025 -15.123 123 HB3 TYR 15 HB3 TYR 15 -9.030 -5.331 -16.536 124 HD1 TYR 15 HD1 TYR 15 -8.075 -6.557 -18.825 125 HD2 TYR 15 HD2 TYR 15 -8.453 -8.307 -14.966 126 HE1 TYR 15 HE1 TYR 15 -8.200 -8.787 -19.855 127 HE2 TYR 15 HE2 TYR 15 -8.577 -10.542 -15.985 128 HH TYR 15 HH TYR 15 -8.932 -10.990 -19.393 129 H GLY 16 H GLY 16 -5.902 -6.199 -14.456 130 HA2 GLY 16 HA2 GLY 16 -4.394 -8.278 -15.626 131 HA3 GLY 16 HA3 GLY 16 -3.346 -6.897 -15.341 132 H PHE 17 H PHE 17 -2.418 -8.813 -14.005 133 HA PHE 17 HA PHE 17 -3.331 -8.402 -11.251 134 HB2 PHE 17 HB2 PHE 17 -2.943 -11.050 -12.628 135 HB3 PHE 17 HB3 PHE 17 -2.799 -10.899 -10.880 136 HD1 PHE 17 HD1 PHE 17 -5.129 -10.172 -13.687 137 HD2 PHE 17 HD2 PHE 17 -4.682 -11.075 -9.551 138 HE1 PHE 17 HE1 PHE 17 -7.570 -10.386 -13.473 139 HE2 PHE 17 HE2 PHE 17 -7.123 -11.291 -9.331 140 HZ PHE 17 HZ PHE 17 -8.571 -10.947 -11.294 141 H ILE 18 H ILE 18 -1.722 -8.465 -9.699 142 HA ILE 18 HA ILE 18 1.030 -8.720 -10.724 143 HB ILE 18 HB ILE 18 0.033 -6.809 -8.608 144 HG12 ILE 18 HG12 ILE 18 1.375 -5.949 -11.131 145 HG13 ILE 18 HG13 ILE 18 -0.312 -6.446 -11.216 146 HG21 ILE 18 HG21 ILE 18 2.344 -5.933 -8.645 147 HG22 ILE 18 HG22 ILE 18 2.245 -7.591 -8.053 148 HG23 ILE 18 HG23 ILE 18 2.806 -7.273 -9.695 149 HD11 ILE 18 HD11 ILE 18 0.902 -4.050 -10.012 150 HD12 ILE 18 HD12 ILE 18 -0.655 -4.261 -10.812 151 HD13 ILE 18 HD13 ILE 18 -0.448 -4.769 -9.136 152 H GLN 19 H GLN 19 2.507 -9.809 -9.488 153 HA GLN 19 HA GLN 19 1.424 -11.207 -7.137 154 HB2 GLN 19 HB2 GLN 19 3.853 -12.085 -8.673 155 HB3 GLN 19 HB3 GLN 19 2.811 -13.039 -7.626 156 HG2 GLN 19 HG2 GLN 19 2.228 -12.036 -10.395 157 HG3 GLN 19 HG3 GLN 19 2.359 -13.706 -9.845 158 HE21 GLN 19 HE21 GLN 19 0.249 -11.338 -10.691 159 HE22 GLN 19 HE22 GLN 19 -1.170 -11.913 -9.890 160 H GLN 20 H GLN 20 2.192 -10.640 -5.220 161 HA GLN 20 HA GLN 20 4.744 -9.190 -5.098 162 HB2 GLN 20 HB2 GLN 20 3.975 -8.279 -2.984 163 HB3 GLN 20 HB3 GLN 20 2.764 -8.002 -4.229 164 HG2 GLN 20 HG2 GLN 20 2.484 -10.451 -2.594 165 HG3 GLN 20 HG3 GLN 20 2.163 -8.908 -1.805 166 HE21 GLN 20 HE21 GLN 20 0.175 -8.165 -1.951 167 HE22 GLN 20 HE22 GLN 20 -0.993 -8.610 -3.144 168 H GLU 21 H GLU 21 5.475 -9.466 -2.524 169 HA GLU 21 HA GLU 21 6.590 -12.089 -2.478 170 HB2 GLU 21 HB2 GLU 21 7.779 -11.391 -0.545 171 HB3 GLU 21 HB3 GLU 21 7.688 -9.989 -1.601 172 HG2 GLU 21 HG2 GLU 21 7.078 -8.942 0.284 173 HG3 GLU 21 HG3 GLU 21 5.487 -9.586 -0.118 174 H GLU 22 H GLU 22 3.747 -10.662 -1.169 175 HA GLU 22 HA GLU 22 3.265 -12.206 1.083 176 HB2 GLU 22 HB2 GLU 22 1.345 -11.079 -0.956 177 HB3 GLU 22 HB3 GLU 22 0.824 -11.837 0.542 178 HG2 GLU 22 HG2 GLU 22 2.344 -9.285 0.166 179 HG3 GLU 22 HG3 GLU 22 0.803 -9.545 0.980 180 H GLY 23 H GLY 23 1.540 -12.811 -1.970 181 HA2 GLY 23 HA2 GLY 23 2.346 -15.397 -2.478 182 HA3 GLY 23 HA3 GLY 23 1.063 -15.541 -1.286 183 HA PRO 24 HA PRO 24 -2.061 -15.147 -4.330 184 HB2 PRO 24 HB2 PRO 24 -3.794 -13.314 -3.324 185 HB3 PRO 24 HB3 PRO 24 -3.621 -14.942 -2.655 186 HG2 PRO 24 HG2 PRO 24 -2.442 -12.364 -1.693 187 HG3 PRO 24 HG3 PRO 24 -3.182 -13.674 -0.756 188 HD2 PRO 24 HD2 PRO 24 -0.500 -13.378 -0.978 189 HD3 PRO 24 HD3 PRO 24 -1.275 -14.967 -0.820 190 H ASP 25 H ASP 25 -3.117 -13.758 -5.918 191 HA ASP 25 HA ASP 25 -1.330 -11.682 -6.836 192 HB2 ASP 25 HB2 ASP 25 -2.872 -11.601 -8.803 193 HB3 ASP 25 HB3 ASP 25 -2.203 -13.200 -8.490 194 H VAL 26 H VAL 26 -2.824 -9.831 -8.046 195 HA VAL 26 HA VAL 26 -4.684 -8.742 -6.061 196 HB VAL 26 HB VAL 26 -2.173 -7.855 -5.961 197 HG11 VAL 26 HG11 VAL 26 -3.353 -5.800 -7.785 198 HG12 VAL 26 HG12 VAL 26 -1.666 -6.074 -7.349 199 HG13 VAL 26 HG13 VAL 26 -2.484 -7.182 -8.451 200 HG21 VAL 26 HG21 VAL 26 -3.803 -7.103 -4.421 201 HG22 VAL 26 HG22 VAL 26 -3.134 -5.652 -5.169 202 HG23 VAL 26 HG23 VAL 26 -4.710 -6.260 -5.678 203 H PHE 27 H PHE 27 -6.147 -7.189 -6.880 204 HA PHE 27 HA PHE 27 -6.710 -7.533 -9.699 205 HB2 PHE 27 HB2 PHE 27 -8.342 -7.366 -7.563 206 HB3 PHE 27 HB3 PHE 27 -8.353 -5.679 -8.068 207 HD1 PHE 27 HD1 PHE 27 -8.412 -8.958 -9.856 208 HD2 PHE 27 HD2 PHE 27 -10.224 -5.151 -9.271 209 HE1 PHE 27 HE1 PHE 27 -10.081 -9.491 -11.583 210 HE2 PHE 27 HE2 PHE 27 -11.897 -5.679 -10.996 211 HZ PHE 27 HZ PHE 27 -11.827 -7.851 -12.155 212 H VAL 28 H VAL 28 -5.815 -6.257 -11.167 213 HA VAL 28 HA VAL 28 -5.386 -3.419 -10.491 214 HB VAL 28 HB VAL 28 -3.290 -3.414 -11.307 215 HG11 VAL 28 HG11 VAL 28 -3.672 -6.384 -10.949 216 HG12 VAL 28 HG12 VAL 28 -2.108 -5.575 -11.067 217 HG13 VAL 28 HG13 VAL 28 -3.184 -5.223 -9.714 218 HG21 VAL 28 HG21 VAL 28 -3.864 -3.670 -13.598 219 HG22 VAL 28 HG22 VAL 28 -2.573 -4.825 -13.266 220 HG23 VAL 28 HG23 VAL 28 -4.244 -5.379 -13.380 221 H HIS 29 H HIS 29 -5.867 -1.895 -12.052 222 HA HIS 29 HA HIS 29 -6.855 -2.789 -14.644 223 HB2 HIS 29 HB2 HIS 29 -8.537 -1.595 -12.493 224 HB3 HIS 29 HB3 HIS 29 -8.847 -1.092 -14.152 225 HD1 HIS 29 HD1 HIS 29 -10.289 -2.596 -15.513 226 HD2 HIS 29 HD2 HIS 29 -8.781 -4.497 -12.141 227 HE1 HIS 29 HE1 HIS 29 -11.419 -4.842 -15.446 228 H PHE 30 H PHE 30 -7.187 -1.005 -16.156 229 HA PHE 30 HA PHE 30 -5.059 0.802 -16.165 230 HB2 PHE 30 HB2 PHE 30 -5.974 1.681 -18.161 231 HB3 PHE 30 HB3 PHE 30 -6.453 -0.014 -18.143 232 HD1 PHE 30 HD2 PHE 30 -8.798 -0.515 -17.130 233 HD2 PHE 30 HD1 PHE 30 -7.561 3.306 -18.541 234 HE1 PHE 30 HE2 PHE 30 -11.153 0.148 -17.388 235 HE2 PHE 30 HE1 PHE 30 -9.914 3.975 -18.800 236 HZ PHE 30 HZ PHE 30 -11.714 2.395 -18.224 237 H THR 31 H THR 31 -8.112 0.975 -14.624 238 HA THR 31 HA THR 31 -8.090 3.868 -14.376 239 HB THR 31 HB THR 31 -10.249 2.765 -14.630 240 HG1 THR 31 HG1 THR 31 -10.574 4.554 -13.460 241 HG21 THR 31 HG21 THR 31 -10.745 1.609 -12.138 242 HG22 THR 31 HG22 THR 31 -9.164 0.994 -12.620 243 HG23 THR 31 HG23 THR 31 -10.557 0.770 -13.678 244 H ALA 32 H ALA 32 -6.236 1.655 -13.031 245 HA ALA 32 HA ALA 32 -6.104 3.085 -10.467 246 HB1 ALA 32 HB1 ALA 32 -6.373 1.257 -9.214 247 HB2 ALA 32 HB2 ALA 32 -7.037 0.510 -10.667 248 HB3 ALA 32 HB3 ALA 32 -5.337 0.282 -10.257 249 H ILE 33 H ILE 33 -4.584 2.541 -13.234 250 HA ILE 33 HA ILE 33 -1.938 1.954 -12.167 251 HB ILE 33 HB ILE 33 -2.923 2.413 -14.980 252 HG12 ILE 33 HG12 ILE 33 -1.605 -0.057 -13.886 253 HG13 ILE 33 HG13 ILE 33 -3.329 0.217 -13.659 254 HG21 ILE 33 HG21 ILE 33 -0.722 3.330 -14.899 255 HG22 ILE 33 HG22 ILE 33 -0.121 1.951 -13.981 256 HG23 ILE 33 HG23 ILE 33 -0.611 1.744 -15.663 257 HD11 ILE 33 HD11 ILE 33 -1.891 -0.705 -15.986 258 HD12 ILE 33 HD12 ILE 33 -3.615 -0.775 -15.618 259 HD13 ILE 33 HD13 ILE 33 -2.927 0.673 -16.355 260 H GLU 34 H GLU 34 -0.561 3.477 -11.552 261 HA GLU 34 HA GLU 34 -1.052 6.245 -12.423 262 HB2 GLU 34 HB2 GLU 34 0.559 5.361 -10.029 263 HB3 GLU 34 HB3 GLU 34 0.004 6.987 -10.403 264 HG2 GLU 34 HG2 GLU 34 -2.252 5.255 -10.294 265 HG3 GLU 34 HG3 GLU 34 -1.272 5.010 -8.850 266 H ALA 35 H ALA 35 0.121 6.218 -14.331 267 HA ALA 35 HA ALA 35 3.038 5.987 -13.989 268 HB1 ALA 35 HB1 ALA 35 3.001 4.276 -15.411 269 HB2 ALA 35 HB2 ALA 35 1.307 4.554 -15.817 270 HB3 ALA 35 HB3 ALA 35 2.574 5.441 -16.664 271 H ASP 36 H ASP 36 4.071 6.981 -16.149 272 HA ASP 36 HA ASP 36 2.903 9.672 -16.387 273 HB2 ASP 36 HB2 ASP 36 5.692 8.659 -16.237 274 HB3 ASP 36 HB3 ASP 36 5.403 10.044 -17.287 275 H GLY 37 H GLY 37 1.473 8.705 -18.052 276 HA2 GLY 37 HA2 GLY 37 1.354 9.374 -20.448 277 HA3 GLY 37 HA3 GLY 37 2.873 8.514 -20.649 278 H PHE 38 H PHE 38 0.044 8.209 -21.760 279 HA PHE 38 HA PHE 38 -1.177 5.900 -20.851 280 HB2 PHE 38 HB2 PHE 38 -0.957 6.986 -23.662 281 HB3 PHE 38 HB3 PHE 38 -2.019 5.657 -23.212 282 HD1 PHE 38 HD2 PHE 38 -3.878 6.065 -21.607 283 HD2 PHE 38 HD1 PHE 38 -1.553 9.228 -23.251 284 HE1 PHE 38 HE2 PHE 38 -5.627 7.676 -20.972 285 HE2 PHE 38 HE1 PHE 38 -3.296 10.844 -22.618 286 HZ PHE 38 HZ PHE 38 -5.336 10.069 -21.476 287 H ARG 39 H ARG 39 -0.227 4.011 -20.469 288 HA ARG 39 HA ARG 39 1.049 2.578 -22.610 289 HB2 ARG 39 HB2 ARG 39 2.757 4.132 -21.199 290 HB3 ARG 39 HB3 ARG 39 2.791 2.669 -20.223 291 HG2 ARG 39 HG2 ARG 39 4.571 2.524 -21.780 292 HG3 ARG 39 HG3 ARG 39 3.322 1.395 -22.310 293 HD2 ARG 39 HD2 ARG 39 2.519 3.077 -23.920 294 HD3 ARG 39 HD3 ARG 39 3.814 4.160 -23.411 295 HE ARG 39 HE ARG 39 4.777 1.609 -24.284 296 HH11 ARG 39 HH11 ARG 39 3.725 4.754 -25.342 297 HH12 ARG 39 HH12 ARG 39 4.625 4.702 -26.822 298 HH21 ARG 39 HH21 ARG 39 5.967 1.528 -26.228 299 HH22 ARG 39 HH22 ARG 39 5.900 2.866 -27.325 300 H THR 40 H THR 40 1.732 0.359 -21.867 301 HA THR 40 HA THR 40 -0.070 -0.560 -19.722 302 HB THR 40 HB THR 40 -0.292 -2.678 -20.891 303 HG1 THR 40 HG1 THR 40 1.708 -1.561 -22.505 304 HG21 THR 40 HG21 THR 40 -1.919 -1.028 -21.502 305 HG22 THR 40 HG22 THR 40 -1.432 -1.872 -22.972 306 HG23 THR 40 HG23 THR 40 -0.797 -0.264 -22.627 307 H LEU 41 H LEU 41 0.736 -3.061 -19.282 308 HA LEU 41 HA LEU 41 3.513 -2.736 -18.365 309 HB2 LEU 41 HB2 LEU 41 1.124 -4.104 -17.226 310 HB3 LEU 41 HB3 LEU 41 2.725 -4.732 -16.844 311 HG LEU 41 HG LEU 41 3.345 -2.622 -15.826 312 HD11 LEU 41 HD11 LEU 41 1.258 -1.032 -15.485 313 HD12 LEU 41 HD12 LEU 41 0.786 -1.729 -17.034 314 HD13 LEU 41 HD13 LEU 41 2.325 -0.882 -16.881 315 HD21 LEU 41 HD21 LEU 41 0.708 -3.741 -14.894 316 HD22 LEU 41 HD22 LEU 41 1.681 -2.603 -13.960 317 HD23 LEU 41 HD23 LEU 41 2.324 -4.199 -14.353 318 H ASN 42 H ASN 42 4.747 -4.813 -18.153 319 HA ASN 42 HA ASN 42 4.090 -6.655 -20.356 320 HB2 ASN 42 HB2 ASN 42 6.908 -5.938 -19.558 321 HB3 ASN 42 HB3 ASN 42 6.366 -6.757 -21.019 322 HD21 ASN 42 HD21 ASN 42 7.787 -4.105 -20.211 323 HD22 ASN 42 HD22 ASN 42 7.046 -2.951 -21.262 324 H GLU 43 H GLU 43 3.971 -8.732 -19.807 325 HA GLU 43 HA GLU 43 4.066 -9.666 -17.214 326 HB2 GLU 43 HB2 GLU 43 2.973 -10.908 -18.991 327 HB3 GLU 43 HB3 GLU 43 4.518 -11.196 -19.780 328 HG2 GLU 43 HG2 GLU 43 5.211 -12.427 -17.687 329 HG3 GLU 43 HG3 GLU 43 3.522 -12.336 -17.189 330 H GLY 44 H GLY 44 5.648 -10.088 -15.821 331 HA2 GLY 44 HA2 GLY 44 7.718 -11.191 -15.278 332 HA3 GLY 44 HA3 GLY 44 8.313 -10.769 -16.877 333 H GLU 45 H GLU 45 6.951 -8.025 -16.264 334 HA GLU 45 HA GLU 45 9.377 -6.831 -15.221 335 HB2 GLU 45 HB2 GLU 45 8.128 -5.899 -17.191 336 HB3 GLU 45 HB3 GLU 45 6.833 -5.454 -16.089 337 HG2 GLU 45 HG2 GLU 45 7.939 -3.675 -15.299 338 HG3 GLU 45 HG3 GLU 45 9.490 -4.511 -15.294 339 H HIS 46 H HIS 46 9.334 -5.222 -13.509 340 HA HIS 46 HA HIS 46 7.597 -6.077 -11.327 341 HB2 HIS 46 HB2 HIS 46 9.676 -3.994 -10.906 342 HB3 HIS 46 HB3 HIS 46 9.219 -5.352 -9.881 343 HD1 HIS 46 HD1 HIS 46 10.392 -7.610 -10.311 344 HD2 HIS 46 HD2 HIS 46 11.663 -4.540 -12.804 345 HE1 HIS 46 HE1 HIS 46 12.483 -8.464 -11.417 346 H VAL 47 H VAL 47 6.142 -4.781 -10.297 347 HA VAL 47 HA VAL 47 5.970 -1.957 -10.898 348 HB VAL 47 HB VAL 47 3.668 -2.020 -11.714 349 HG11 VAL 47 HG11 VAL 47 5.598 -2.062 -13.292 350 HG12 VAL 47 HG12 VAL 47 5.407 -3.813 -13.401 351 HG13 VAL 47 HG13 VAL 47 4.114 -2.747 -13.952 352 HG21 VAL 47 HG21 VAL 47 2.530 -4.040 -12.260 353 HG22 VAL 47 HG22 VAL 47 3.960 -5.012 -11.915 354 HG23 VAL 47 HG23 VAL 47 3.108 -4.200 -10.602 355 H GLU 48 H GLU 48 4.835 -0.808 -9.367 356 HA GLU 48 HA GLU 48 4.202 -2.263 -6.935 357 HB2 GLU 48 HB2 GLU 48 5.561 -0.143 -6.954 358 HB3 GLU 48 HB3 GLU 48 4.096 0.718 -7.405 359 HG2 GLU 48 HG2 GLU 48 3.041 0.154 -5.343 360 HG3 GLU 48 HG3 GLU 48 4.355 -0.937 -4.909 361 H PHE 49 H PHE 49 2.228 -1.716 -5.707 362 HA PHE 49 HA PHE 49 -0.030 -0.625 -7.085 363 HB2 PHE 49 HB2 PHE 49 -1.378 -2.668 -7.159 364 HB3 PHE 49 HB3 PHE 49 0.065 -2.837 -8.154 365 HD1 PHE 49 HD1 PHE 49 1.929 -4.254 -7.400 366 HD2 PHE 49 HD2 PHE 49 -1.737 -4.037 -5.249 367 HE1 PHE 49 HE1 PHE 49 2.518 -6.316 -6.195 368 HE2 PHE 49 HE2 PHE 49 -1.154 -6.099 -4.040 369 HZ PHE 49 HZ PHE 49 0.976 -7.242 -4.513 370 H GLU 50 H GLU 50 -1.426 0.171 -5.638 371 HA GLU 50 HA GLU 50 -1.016 -0.520 -2.826 372 HB2 GLU 50 HB2 GLU 50 -1.547 1.901 -4.213 373 HB3 GLU 50 HB3 GLU 50 -2.926 1.580 -3.171 374 HG2 GLU 50 HG2 GLU 50 -0.478 1.107 -1.750 375 HG3 GLU 50 HG3 GLU 50 -0.474 2.718 -2.465 376 H VAL 51 H VAL 51 -2.181 -2.308 -2.360 377 HA VAL 51 HA VAL 51 -4.684 -2.970 -3.466 378 HB VAL 51 HB VAL 51 -4.866 -4.626 -1.665 379 HG11 VAL 51 HG11 VAL 51 -2.078 -5.089 -2.156 380 HG12 VAL 51 HG12 VAL 51 -3.484 -5.908 -2.839 381 HG13 VAL 51 HG13 VAL 51 -2.850 -4.453 -3.608 382 HG21 VAL 51 HG21 VAL 51 -2.924 -4.775 -0.047 383 HG22 VAL 51 HG22 VAL 51 -2.522 -3.124 -0.522 384 HG23 VAL 51 HG23 VAL 51 -4.075 -3.470 0.240 385 H GLU 52 H GLU 52 -6.640 -2.177 -3.086 386 HA GLU 52 HA GLU 52 -7.082 -0.676 -0.589 387 HB2 GLU 52 HB2 GLU 52 -7.651 -0.048 -3.369 388 HB3 GLU 52 HB3 GLU 52 -9.093 0.062 -2.369 389 HG2 GLU 52 HG2 GLU 52 -7.285 1.369 -0.827 390 HG3 GLU 52 HG3 GLU 52 -6.715 1.768 -2.447 391 HA PRO 53 HA PRO 53 -10.358 -3.350 0.575 392 HB2 PRO 53 HB2 PRO 53 -12.193 -1.626 1.590 393 HB3 PRO 53 HB3 PRO 53 -10.676 -2.008 2.413 394 HG2 PRO 53 HG2 PRO 53 -11.370 0.364 0.724 395 HG3 PRO 53 HG3 PRO 53 -10.482 0.304 2.258 396 HD2 PRO 53 HD2 PRO 53 -9.239 0.528 -0.137 397 HD3 PRO 53 HD3 PRO 53 -8.514 -0.328 1.238 398 H GLY 54 H GLY 54 -12.612 -0.774 0.010 399 HA2 GLY 54 HA2 GLY 54 -14.120 -2.434 -1.805 400 HA3 GLY 54 HA3 GLY 54 -14.580 -0.844 -1.214 401 H ARG 55 H ARG 55 -12.061 -2.286 -3.289 402 HA ARG 55 HA ARG 55 -12.672 -0.230 -5.297 403 HB2 ARG 55 HB2 ARG 55 -10.251 -0.462 -3.784 404 HB3 ARG 55 HB3 ARG 55 -9.904 -0.817 -5.470 405 HG2 ARG 55 HG2 ARG 55 -9.604 1.560 -4.884 406 HG3 ARG 55 HG3 ARG 55 -10.796 1.302 -6.159 407 HD2 ARG 55 HD2 ARG 55 -12.603 1.617 -4.622 408 HD3 ARG 55 HD3 ARG 55 -11.497 1.642 -3.249 409 HE ARG 55 HE ARG 55 -11.007 3.698 -5.209 410 HH11 ARG 55 HH11 ARG 55 -12.745 2.816 -2.324 411 HH12 ARG 55 HH12 ARG 55 -12.986 4.453 -1.812 412 HH21 ARG 55 HH21 ARG 55 -11.317 5.858 -4.545 413 HH22 ARG 55 HH22 ARG 55 -12.174 6.183 -3.076 414 H GLY 56 H GLY 56 -11.158 -3.350 -4.585 415 HA2 GLY 56 HA2 GLY 56 -11.369 -4.069 -7.430 416 HA3 GLY 56 HA3 GLY 56 -10.381 -4.900 -6.238 417 H GLY 57 H GLY 57 -12.500 -5.844 -8.143 418 HA2 GLY 57 HA2 GLY 57 -14.880 -6.524 -6.936 419 HA3 GLY 57 HA3 GLY 57 -14.060 -7.532 -8.119 420 H LYS 58 H LYS 58 -11.800 -8.280 -6.726 421 HA LYS 58 HA LYS 58 -12.921 -10.246 -4.933 422 HB2 LYS 58 HB2 LYS 58 -10.950 -11.409 -5.183 423 HB3 LYS 58 HB3 LYS 58 -10.977 -10.496 -6.686 424 HG2 LYS 58 HG2 LYS 58 -8.963 -9.733 -6.182 425 HG3 LYS 58 HG3 LYS 58 -9.685 -8.847 -4.837 426 HD2 LYS 58 HD2 LYS 58 -8.007 -10.106 -3.822 427 HD3 LYS 58 HD3 LYS 58 -9.464 -11.062 -3.540 428 HE2 LYS 58 HE2 LYS 58 -8.899 -12.602 -5.237 429 HE3 LYS 58 HE3 LYS 58 -7.654 -11.539 -5.893 430 HZ1 LYS 58 HZ1 LYS 58 -6.984 -12.005 -3.246 431 HZ2 LYS 58 HZ2 LYS 58 -6.202 -12.599 -4.623 432 HZ3 LYS 58 HZ3 LYS 58 -7.421 -13.510 -3.884 433 H GLY 59 H GLY 59 -11.660 -7.135 -4.616 434 HA2 GLY 59 HA2 GLY 59 -12.035 -6.315 -2.250 435 HA3 GLY 59 HA3 GLY 59 -10.953 -7.621 -1.791 436 HA PRO 60 HA PRO 60 -7.527 -4.914 -2.150 437 HB2 PRO 60 HB2 PRO 60 -5.568 -6.637 -2.900 438 HB3 PRO 60 HB3 PRO 60 -6.247 -6.607 -1.269 439 HG2 PRO 60 HG2 PRO 60 -6.874 -8.444 -3.547 440 HG3 PRO 60 HG3 PRO 60 -6.644 -8.828 -1.831 441 HD2 PRO 60 HD2 PRO 60 -9.096 -8.613 -2.961 442 HD3 PRO 60 HD3 PRO 60 -8.781 -8.173 -1.270 443 H GLN 61 H GLN 61 -7.530 -3.452 -3.753 444 HA GLN 61 HA GLN 61 -7.032 -4.393 -6.499 445 HB2 GLN 61 HB2 GLN 61 -9.155 -2.920 -5.630 446 HB3 GLN 61 HB3 GLN 61 -8.049 -1.652 -6.141 447 HG2 GLN 61 HG2 GLN 61 -7.838 -2.913 -8.327 448 HG3 GLN 61 HG3 GLN 61 -9.214 -3.873 -7.786 449 HE21 GLN 61 HE21 GLN 61 -10.456 -3.121 -9.520 450 HE22 GLN 61 HE22 GLN 61 -11.121 -1.527 -9.535 451 H ALA 62 H ALA 62 -5.852 -2.806 -7.887 452 HA ALA 62 HA ALA 62 -3.486 -1.902 -6.471 453 HB1 ALA 62 HB1 ALA 62 -2.881 -3.033 -8.392 454 HB2 ALA 62 HB2 ALA 62 -4.184 -2.324 -9.347 455 HB3 ALA 62 HB3 ALA 62 -2.780 -1.350 -8.909 456 H LYS 63 H LYS 63 -5.325 -0.302 -5.548 457 HA LYS 63 HA LYS 63 -6.307 1.874 -6.800 458 HB2 LYS 63 HB2 LYS 63 -6.697 1.686 -4.479 459 HB3 LYS 63 HB3 LYS 63 -4.978 1.661 -4.108 460 HG2 LYS 63 HG2 LYS 63 -6.078 3.778 -3.493 461 HG3 LYS 63 HG3 LYS 63 -4.771 3.991 -4.660 462 HD2 LYS 63 HD2 LYS 63 -6.657 5.356 -5.305 463 HD3 LYS 63 HD3 LYS 63 -6.451 4.050 -6.475 464 HE2 LYS 63 HE2 LYS 63 -8.581 3.508 -6.150 465 HE3 LYS 63 HE3 LYS 63 -8.161 3.038 -4.503 466 HZ1 LYS 63 HZ1 LYS 63 -9.748 5.199 -5.367 467 HZ2 LYS 63 HZ2 LYS 63 -8.413 5.803 -4.522 468 HZ3 LYS 63 HZ3 LYS 63 -9.440 4.678 -3.787 469 H LYS 64 H LYS 64 -2.964 1.591 -5.618 470 HA LYS 64 HA LYS 64 -2.230 3.765 -7.469 471 HB2 LYS 64 HB2 LYS 64 -2.018 3.831 -4.710 472 HB3 LYS 64 HB3 LYS 64 -0.398 3.383 -5.227 473 HG2 LYS 64 HG2 LYS 64 -0.430 5.735 -5.067 474 HG3 LYS 64 HG3 LYS 64 -0.469 5.353 -6.790 475 HD2 LYS 64 HD2 LYS 64 -2.051 7.104 -6.378 476 HD3 LYS 64 HD3 LYS 64 -2.949 5.624 -6.720 477 HE2 LYS 64 HE2 LYS 64 -3.304 5.275 -4.335 478 HE3 LYS 64 HE3 LYS 64 -2.366 6.723 -3.971 479 HZ1 LYS 64 HZ1 LYS 64 -4.419 7.629 -3.940 480 HZ2 LYS 64 HZ2 LYS 64 -5.086 6.478 -4.984 481 HZ3 LYS 64 HZ3 LYS 64 -4.163 7.751 -5.608 482 H VAL 65 H VAL 65 -1.454 2.587 -9.151 483 HA VAL 65 HA VAL 65 0.534 0.500 -8.598 484 HB VAL 65 HB VAL 65 -1.513 0.812 -10.598 485 HG11 VAL 65 HG11 VAL 65 0.205 1.716 -12.032 486 HG12 VAL 65 HG12 VAL 65 1.288 0.381 -11.633 487 HG13 VAL 65 HG13 VAL 65 -0.187 0.077 -12.552 488 HG21 VAL 65 HG21 VAL 65 -0.795 -1.167 -9.089 489 HG22 VAL 65 HG22 VAL 65 -1.369 -1.500 -10.723 490 HG23 VAL 65 HG23 VAL 65 0.360 -1.513 -10.376 491 H ARG 66 H ARG 66 2.594 0.562 -9.443 492 HA ARG 66 HA ARG 66 3.381 3.003 -10.880 493 HB2 ARG 66 HB2 ARG 66 5.100 1.778 -8.732 494 HB3 ARG 66 HB3 ARG 66 5.270 3.351 -9.499 495 HG2 ARG 66 HG2 ARG 66 3.123 4.025 -8.423 496 HG3 ARG 66 HG3 ARG 66 3.154 2.497 -7.540 497 HD2 ARG 66 HD2 ARG 66 4.149 3.899 -6.018 498 HD3 ARG 66 HD3 ARG 66 5.560 3.280 -6.874 499 HE ARG 66 HE ARG 66 4.716 5.608 -8.163 500 HH11 ARG 66 HH11 ARG 66 6.069 4.624 -5.110 501 HH12 ARG 66 HH12 ARG 66 6.880 6.130 -4.836 502 HH21 ARG 66 HH21 ARG 66 5.779 7.596 -7.813 503 HH22 ARG 66 HH22 ARG 66 6.713 7.820 -6.373 504 H ARG 67 H ARG 67 5.285 2.804 -12.172 505 HA ARG 67 HA ARG 67 5.642 0.096 -13.189 506 HB2 ARG 67 HB2 ARG 67 5.197 2.069 -14.700 507 HB3 ARG 67 HB3 ARG 67 6.801 2.659 -14.285 508 HG2 ARG 67 HG2 ARG 67 7.701 0.465 -15.138 509 HG3 ARG 67 HG3 ARG 67 6.084 0.151 -15.773 510 HD2 ARG 67 HD2 ARG 67 7.896 2.455 -16.482 511 HD3 ARG 67 HD3 ARG 67 7.467 1.090 -17.513 512 HE ARG 67 HE ARG 67 5.193 2.588 -16.612 513 HH11 ARG 67 HH11 ARG 67 7.713 2.401 -19.006 514 HH12 ARG 67 HH12 ARG 67 6.827 3.295 -20.197 515 HH21 ARG 67 HH21 ARG 67 4.017 3.765 -18.172 516 HH22 ARG 67 HH22 ARG 67 4.725 4.071 -19.721 517 H ILE 68 H ILE 68 7.439 -1.091 -12.938 518 HA ILE 68 HA ILE 68 9.883 0.203 -11.967 519 HB ILE 68 HB ILE 68 8.657 -2.249 -10.699 520 HG12 ILE 68 HG12 ILE 68 7.963 0.321 -10.206 521 HG13 ILE 68 HG13 ILE 68 7.926 -0.949 -8.988 522 HG21 ILE 68 HG21 ILE 68 11.287 -0.859 -10.242 523 HG22 ILE 68 HG22 ILE 68 10.583 -2.009 -9.106 524 HG23 ILE 68 HG23 ILE 68 11.017 -2.531 -10.733 525 HD11 ILE 68 HD11 ILE 68 10.320 0.805 -9.434 526 HD12 ILE 68 HD12 ILE 68 9.019 1.211 -8.313 527 HD13 ILE 68 HD13 ILE 68 9.977 -0.248 -8.062 Start of MODEL 10 1 H1 MET 1 H MET 1 0.628 0.832 0.625 2 HA MET 1 HA MET 1 0.801 -0.241 -1.821 3 HB2 MET 1 HB2 MET 1 2.783 1.175 -2.255 4 HB3 MET 1 HB3 MET 1 1.519 2.030 -1.382 5 HG2 MET 1 HG2 MET 1 2.796 1.478 0.731 6 HG3 MET 1 HG3 MET 1 4.117 0.973 -0.319 7 HE1 MET 1 HE1 MET 1 2.954 5.107 0.975 8 HE2 MET 1 HE2 MET 1 2.087 3.598 1.259 9 HE3 MET 1 HE3 MET 1 3.688 3.840 1.958 10 H LYS 2 H LYS 2 1.573 -2.069 -2.622 11 HA LYS 2 HA LYS 2 4.037 -3.191 -1.457 12 HB2 LYS 2 HB2 LYS 2 1.719 -4.761 -2.598 13 HB3 LYS 2 HB3 LYS 2 3.172 -5.426 -1.865 14 HG2 LYS 2 HG2 LYS 2 1.070 -3.790 -0.460 15 HG3 LYS 2 HG3 LYS 2 1.290 -5.537 -0.336 16 HD2 LYS 2 HD2 LYS 2 3.601 -5.093 0.527 17 HD3 LYS 2 HD3 LYS 2 3.185 -3.378 0.581 18 HE2 LYS 2 HE2 LYS 2 1.581 -3.704 2.252 19 HE3 LYS 2 HE3 LYS 2 1.491 -5.439 1.953 20 HZ1 LYS 2 HZ1 LYS 2 4.117 -4.873 2.647 21 HZ2 LYS 2 HZ2 LYS 2 2.969 -5.716 3.558 22 HZ3 LYS 2 HZ3 LYS 2 3.147 -4.046 3.759 23 H LYS 3 H LYS 3 5.428 -4.324 -2.890 24 HA LYS 3 HA LYS 3 5.045 -3.591 -5.719 25 HB2 LYS 3 HB2 LYS 3 7.663 -4.026 -4.272 26 HB3 LYS 3 HB3 LYS 3 7.462 -3.484 -5.933 27 HG2 LYS 3 HG2 LYS 3 7.043 -1.362 -5.330 28 HG3 LYS 3 HG3 LYS 3 6.112 -1.837 -3.907 29 HD2 LYS 3 HD2 LYS 3 8.099 -2.219 -2.643 30 HD3 LYS 3 HD3 LYS 3 9.114 -2.046 -4.076 31 HE2 LYS 3 HE2 LYS 3 7.515 0.297 -3.795 32 HE3 LYS 3 HE3 LYS 3 8.288 -0.046 -2.249 33 HZ1 LYS 3 HZ1 LYS 3 9.997 1.048 -3.168 34 HZ2 LYS 3 HZ2 LYS 3 9.463 0.800 -4.754 35 HZ3 LYS 3 HZ3 LYS 3 10.316 -0.419 -3.949 36 H GLY 4 H GLY 4 5.357 -5.121 -7.290 37 HA2 GLY 4 HA2 GLY 4 6.590 -7.644 -6.804 38 HA3 GLY 4 HA3 GLY 4 4.838 -7.782 -6.755 39 H THR 5 H THR 5 6.210 -9.202 -8.617 40 HA THR 5 HA THR 5 6.363 -7.769 -11.110 41 HB THR 5 HB THR 5 6.646 -10.121 -12.069 42 HG1 THR 5 HG1 THR 5 5.890 -11.500 -10.580 43 HG21 THR 5 HG21 THR 5 8.443 -8.612 -10.304 44 HG22 THR 5 HG22 THR 5 8.715 -9.241 -11.930 45 HG23 THR 5 HG23 THR 5 8.891 -10.302 -10.533 46 H VAL 6 H VAL 6 5.108 -8.326 -13.008 47 HA VAL 6 HA VAL 6 2.308 -8.834 -12.316 48 HB VAL 6 HB VAL 6 2.938 -6.772 -13.607 49 HG11 VAL 6 HG11 VAL 6 3.957 -6.831 -15.611 50 HG12 VAL 6 HG12 VAL 6 4.502 -8.423 -15.081 51 HG13 VAL 6 HG13 VAL 6 3.088 -8.277 -16.126 52 HG21 VAL 6 HG21 VAL 6 1.098 -7.042 -15.281 53 HG22 VAL 6 HG22 VAL 6 1.019 -8.746 -14.834 54 HG23 VAL 6 HG23 VAL 6 0.662 -7.503 -13.635 55 H LYS 7 H LYS 7 1.197 -10.561 -13.027 56 HA LYS 7 HA LYS 7 2.675 -12.685 -14.328 57 HB2 LYS 7 HB2 LYS 7 0.358 -12.481 -12.622 58 HB3 LYS 7 HB3 LYS 7 -0.017 -13.452 -14.040 59 HG2 LYS 7 HG2 LYS 7 1.366 -15.132 -13.427 60 HG3 LYS 7 HG3 LYS 7 2.529 -14.046 -12.663 61 HD2 LYS 7 HD2 LYS 7 1.678 -14.982 -10.779 62 HD3 LYS 7 HD3 LYS 7 0.473 -13.710 -10.988 63 HE2 LYS 7 HE2 LYS 7 -0.705 -15.734 -10.574 64 HE3 LYS 7 HE3 LYS 7 -0.902 -15.359 -12.285 65 HZ1 LYS 7 HZ1 LYS 7 0.374 -17.113 -12.913 66 HZ2 LYS 7 HZ2 LYS 7 -0.236 -17.751 -11.471 67 HZ3 LYS 7 HZ3 LYS 7 1.323 -17.095 -11.513 68 H TRP 8 H TRP 8 0.036 -10.486 -15.064 69 HA TRP 8 HA TRP 8 0.433 -10.736 -17.860 70 HB2 TRP 8 HB2 TRP 8 -1.547 -11.863 -18.545 71 HB3 TRP 8 HB3 TRP 8 -0.808 -12.879 -17.310 72 HD1 TRP 8 HD1 TRP 8 -3.658 -10.268 -17.612 73 HE1 TRP 8 HE1 TRP 8 -5.483 -10.886 -15.905 74 HE3 TRP 8 HE3 TRP 8 -1.335 -14.210 -15.333 75 HZ2 TRP 8 HZ2 TRP 8 -5.884 -12.793 -13.862 76 HZ3 TRP 8 HZ3 TRP 8 -2.506 -15.377 -13.511 77 HH2 TRP 8 HH2 TRP 8 -4.734 -14.681 -12.792 78 H PHE 9 H PHE 9 -0.546 -9.088 -18.984 79 HA PHE 9 HA PHE 9 -2.479 -7.414 -17.548 80 HB2 PHE 9 HB2 PHE 9 -0.187 -6.472 -17.242 81 HB3 PHE 9 HB3 PHE 9 -0.061 -6.311 -18.990 82 HD1 PHE 9 HD2 PHE 9 -1.741 -5.073 -15.971 83 HD2 PHE 9 HD1 PHE 9 -1.192 -4.562 -20.161 84 HE1 PHE 9 HE2 PHE 9 -2.808 -2.860 -15.837 85 HE2 PHE 9 HE1 PHE 9 -2.257 -2.347 -20.033 86 HZ PHE 9 HZ PHE 9 -3.066 -1.493 -17.870 87 H ASN 10 H ASN 10 -4.212 -7.714 -18.826 88 HA ASN 10 HA ASN 10 -3.976 -7.864 -21.695 89 HB2 ASN 10 HB2 ASN 10 -5.689 -9.064 -20.117 90 HB3 ASN 10 HB3 ASN 10 -6.595 -7.560 -20.267 91 HD21 ASN 10 HD21 ASN 10 -8.254 -8.139 -21.515 92 HD22 ASN 10 HD22 ASN 10 -8.114 -8.825 -23.094 93 H ALA 11 H ALA 11 -3.475 -6.009 -22.699 94 HA ALA 11 HA ALA 11 -4.397 -3.450 -21.794 95 HB1 ALA 11 HB1 ALA 11 -3.231 -2.554 -23.715 96 HB2 ALA 11 HB2 ALA 11 -2.221 -3.754 -22.907 97 HB3 ALA 11 HB3 ALA 11 -3.063 -4.171 -24.400 98 H GLU 12 H GLU 12 -5.600 -5.874 -23.916 99 HA GLU 12 HA GLU 12 -7.170 -4.277 -25.630 100 HB2 GLU 12 HB2 GLU 12 -7.277 -7.156 -24.788 101 HB3 GLU 12 HB3 GLU 12 -8.549 -6.474 -25.791 102 HG2 GLU 12 HG2 GLU 12 -6.805 -5.787 -27.424 103 HG3 GLU 12 HG3 GLU 12 -5.620 -6.654 -26.449 104 H LYS 13 H LYS 13 -7.744 -5.630 -22.441 105 HA LYS 13 HA LYS 13 -10.438 -4.458 -22.424 106 HB2 LYS 13 HB2 LYS 13 -9.129 -6.582 -20.736 107 HB3 LYS 13 HB3 LYS 13 -10.636 -5.812 -20.256 108 HG2 LYS 13 HG2 LYS 13 -10.224 -7.275 -22.855 109 HG3 LYS 13 HG3 LYS 13 -10.941 -7.981 -21.405 110 HD2 LYS 13 HD2 LYS 13 -12.472 -5.802 -21.610 111 HD3 LYS 13 HD3 LYS 13 -12.053 -6.003 -23.312 112 HE2 LYS 13 HE2 LYS 13 -12.729 -8.474 -22.930 113 HE3 LYS 13 HE3 LYS 13 -13.550 -7.857 -21.498 114 HZ1 LYS 13 HZ1 LYS 13 -14.435 -6.149 -23.315 115 HZ2 LYS 13 HZ2 LYS 13 -15.224 -7.604 -22.964 116 HZ3 LYS 13 HZ3 LYS 13 -14.203 -7.499 -24.309 117 H GLY 14 H GLY 14 -7.365 -4.497 -20.685 118 HA2 GLY 14 HA2 GLY 14 -6.492 -2.496 -19.701 119 HA3 GLY 14 HA3 GLY 14 -8.141 -1.948 -19.440 120 H TYR 15 H TYR 15 -6.605 -5.048 -18.641 121 HA TYR 15 HA TYR 15 -6.785 -4.420 -15.798 122 HB2 TYR 15 HB2 TYR 15 -8.105 -6.328 -15.235 123 HB3 TYR 15 HB3 TYR 15 -8.962 -5.476 -16.514 124 HD1 TYR 15 HD2 TYR 15 -6.937 -8.452 -15.726 125 HD2 TYR 15 HD1 TYR 15 -9.327 -6.492 -18.649 126 HE1 TYR 15 HE2 TYR 15 -7.007 -10.524 -17.049 127 HE2 TYR 15 HE1 TYR 15 -9.405 -8.559 -19.980 128 HH TYR 15 HH TYR 15 -8.826 -10.697 -20.096 129 H GLY 16 H GLY 16 -5.844 -6.264 -14.468 130 HA2 GLY 16 HA2 GLY 16 -4.148 -8.181 -15.685 131 HA3 GLY 16 HA3 GLY 16 -3.218 -6.755 -15.248 132 H PHE 17 H PHE 17 -2.417 -8.968 -14.070 133 HA PHE 17 HA PHE 17 -3.408 -8.689 -11.316 134 HB2 PHE 17 HB2 PHE 17 -3.147 -11.152 -12.956 135 HB3 PHE 17 HB3 PHE 17 -2.648 -11.263 -11.271 136 HD1 PHE 17 HD1 PHE 17 -5.489 -10.175 -13.409 137 HD2 PHE 17 HD2 PHE 17 -4.223 -11.651 -9.622 138 HE1 PHE 17 HE1 PHE 17 -7.839 -10.457 -12.737 139 HE2 PHE 17 HE2 PHE 17 -6.571 -11.936 -8.945 140 HZ PHE 17 HZ PHE 17 -8.383 -11.338 -10.502 141 H ILE 18 H ILE 18 -1.872 -8.515 -9.780 142 HA ILE 18 HA ILE 18 0.929 -8.851 -10.635 143 HB ILE 18 HB ILE 18 -0.161 -6.899 -8.604 144 HG12 ILE 18 HG12 ILE 18 1.223 -6.149 -11.157 145 HG13 ILE 18 HG13 ILE 18 -0.493 -6.540 -11.177 146 HG21 ILE 18 HG21 ILE 18 2.185 -5.994 -8.694 147 HG22 ILE 18 HG22 ILE 18 2.008 -7.562 -7.908 148 HG23 ILE 18 HG23 ILE 18 2.638 -7.467 -9.552 149 HD11 ILE 18 HD11 ILE 18 -0.496 -4.795 -9.169 150 HD12 ILE 18 HD12 ILE 18 0.909 -4.199 -10.054 151 HD13 ILE 18 HD13 ILE 18 -0.657 -4.314 -10.858 152 H GLN 19 H GLN 19 2.408 -9.719 -9.161 153 HA GLN 19 HA GLN 19 1.194 -11.070 -6.840 154 HB2 GLN 19 HB2 GLN 19 2.890 -12.860 -7.177 155 HB3 GLN 19 HB3 GLN 19 1.745 -12.720 -8.505 156 HG2 GLN 19 HG2 GLN 19 4.174 -11.130 -8.846 157 HG3 GLN 19 HG3 GLN 19 4.446 -12.870 -8.767 158 HE21 GLN 19 HE21 GLN 19 1.645 -11.160 -10.045 159 HE22 GLN 19 HE22 GLN 19 1.821 -11.712 -11.673 160 H GLN 20 H GLN 20 2.015 -10.548 -4.927 161 HA GLN 20 HA GLN 20 4.671 -9.275 -4.852 162 HB2 GLN 20 HB2 GLN 20 3.927 -8.016 -2.915 163 HB3 GLN 20 HB3 GLN 20 2.820 -7.756 -4.256 164 HG2 GLN 20 HG2 GLN 20 1.126 -8.975 -3.271 165 HG3 GLN 20 HG3 GLN 20 2.234 -9.861 -2.224 166 HE21 GLN 20 HE21 GLN 20 3.652 -7.978 -0.989 167 HE22 GLN 20 HE22 GLN 20 2.637 -6.938 -0.055 168 H GLU 21 H GLU 21 5.179 -9.302 -2.184 169 HA GLU 21 HA GLU 21 5.800 -12.094 -1.750 170 HB2 GLU 21 HB2 GLU 21 6.496 -9.624 -0.152 171 HB3 GLU 21 HB3 GLU 21 7.086 -11.242 0.199 172 HG2 GLU 21 HG2 GLU 21 7.576 -9.791 -2.390 173 HG3 GLU 21 HG3 GLU 21 8.694 -9.800 -1.027 174 H GLU 22 H GLU 22 3.448 -9.828 -0.706 175 HA GLU 22 HA GLU 22 2.437 -11.794 1.231 176 HB2 GLU 22 HB2 GLU 22 2.464 -8.798 1.638 177 HB3 GLU 22 HB3 GLU 22 1.749 -9.978 2.728 178 HG2 GLU 22 HG2 GLU 22 4.104 -10.990 2.851 179 HG3 GLU 22 HG3 GLU 22 4.640 -9.462 2.155 180 H GLY 23 H GLY 23 1.117 -12.404 -0.636 181 HA2 GLY 23 HA2 GLY 23 -1.292 -12.382 -0.978 182 HA3 GLY 23 HA3 GLY 23 -1.230 -10.629 -0.872 183 HA PRO 24 HA PRO 24 0.640 -11.888 -5.171 184 HB2 PRO 24 HB2 PRO 24 0.142 -14.436 -5.964 185 HB3 PRO 24 HB3 PRO 24 1.595 -13.975 -5.069 186 HG2 PRO 24 HG2 PRO 24 -0.932 -15.226 -4.064 187 HG3 PRO 24 HG3 PRO 24 0.749 -15.613 -3.653 188 HD2 PRO 24 HD2 PRO 24 -0.832 -14.105 -2.054 189 HD3 PRO 24 HD3 PRO 24 0.922 -13.858 -2.169 190 H ASP 25 H ASP 25 -0.402 -12.124 -7.276 191 HA ASP 25 HA ASP 25 -2.149 -11.751 -8.686 192 HB2 ASP 25 HB2 ASP 25 -3.938 -13.425 -6.969 193 HB3 ASP 25 HB3 ASP 25 -3.799 -13.376 -8.725 194 H VAL 26 H VAL 26 -2.467 -9.572 -8.268 195 HA VAL 26 HA VAL 26 -4.646 -8.937 -6.386 196 HB VAL 26 HB VAL 26 -2.247 -7.955 -6.045 197 HG11 VAL 26 HG11 VAL 26 -2.460 -7.128 -8.558 198 HG12 VAL 26 HG12 VAL 26 -3.198 -5.733 -7.767 199 HG13 VAL 26 HG13 VAL 26 -1.555 -6.220 -7.347 200 HG21 VAL 26 HG21 VAL 26 -4.038 -7.295 -4.639 201 HG22 VAL 26 HG22 VAL 26 -3.291 -5.809 -5.227 202 HG23 VAL 26 HG23 VAL 26 -4.806 -6.373 -5.932 203 H PHE 27 H PHE 27 -6.254 -7.500 -7.034 204 HA PHE 27 HA PHE 27 -6.874 -7.546 -9.820 205 HB2 PHE 27 HB2 PHE 27 -8.418 -7.457 -7.644 206 HB3 PHE 27 HB3 PHE 27 -8.348 -5.730 -7.978 207 HD1 PHE 27 HD1 PHE 27 -9.491 -8.987 -9.197 208 HD2 PHE 27 HD2 PHE 27 -9.410 -4.793 -9.919 209 HE1 PHE 27 HE1 PHE 27 -11.256 -9.248 -10.890 210 HE2 PHE 27 HE2 PHE 27 -11.177 -5.047 -11.613 211 HZ PHE 27 HZ PHE 27 -12.101 -7.277 -12.102 212 H VAL 28 H VAL 28 -5.986 -6.244 -11.270 213 HA VAL 28 HA VAL 28 -5.523 -3.429 -10.536 214 HB VAL 28 HB VAL 28 -3.393 -3.412 -11.255 215 HG11 VAL 28 HG11 VAL 28 -3.761 -6.392 -10.966 216 HG12 VAL 28 HG12 VAL 28 -2.208 -5.554 -10.968 217 HG13 VAL 28 HG13 VAL 28 -3.374 -5.251 -9.678 218 HG21 VAL 28 HG21 VAL 28 -3.853 -3.641 -13.569 219 HG22 VAL 28 HG22 VAL 28 -2.589 -4.813 -13.195 220 HG23 VAL 28 HG23 VAL 28 -4.258 -5.348 -13.392 221 H HIS 29 H HIS 29 -5.936 -1.899 -12.112 222 HA HIS 29 HA HIS 29 -6.828 -2.794 -14.741 223 HB2 HIS 29 HB2 HIS 29 -8.587 -1.718 -12.630 224 HB3 HIS 29 HB3 HIS 29 -8.781 -0.974 -14.214 225 HD1 HIS 29 HD1 HIS 29 -10.394 -2.125 -15.685 226 HD2 HIS 29 HD2 HIS 29 -8.764 -4.708 -12.869 227 HE1 HIS 29 HE1 HIS 29 -11.561 -4.325 -16.036 228 H PHE 30 H PHE 30 -7.143 -0.977 -16.251 229 HA PHE 30 HA PHE 30 -4.972 0.791 -16.206 230 HB2 PHE 30 HB2 PHE 30 -5.829 1.691 -18.224 231 HB3 PHE 30 HB3 PHE 30 -6.305 -0.004 -18.227 232 HD1 PHE 30 HD2 PHE 30 -8.674 -0.546 -17.382 233 HD2 PHE 30 HD1 PHE 30 -7.412 3.347 -18.550 234 HE1 PHE 30 HE2 PHE 30 -11.022 0.113 -17.707 235 HE2 PHE 30 HE1 PHE 30 -9.757 4.013 -18.876 236 HZ PHE 30 HZ PHE 30 -11.566 2.396 -18.454 237 H THR 31 H THR 31 -8.019 0.983 -14.691 238 HA THR 31 HA THR 31 -8.008 3.881 -14.476 239 HB THR 31 HB THR 31 -9.865 2.066 -12.961 240 HG1 THR 31 HG1 THR 31 -10.142 2.906 -15.674 241 HG21 THR 31 HG21 THR 31 -10.341 4.210 -12.305 242 HG22 THR 31 HG22 THR 31 -11.376 4.101 -13.729 243 HG23 THR 31 HG23 THR 31 -9.814 4.911 -13.834 244 H ALA 32 H ALA 32 -6.258 1.569 -13.046 245 HA ALA 32 HA ALA 32 -6.129 3.042 -10.498 246 HB1 ALA 32 HB1 ALA 32 -7.009 0.456 -10.728 247 HB2 ALA 32 HB2 ALA 32 -5.306 0.251 -10.315 248 HB3 ALA 32 HB3 ALA 32 -6.361 1.195 -9.263 249 H ILE 33 H ILE 33 -4.557 2.353 -13.273 250 HA ILE 33 HA ILE 33 -1.916 1.915 -12.151 251 HB ILE 33 HB ILE 33 -2.837 2.295 -15.000 252 HG12 ILE 33 HG12 ILE 33 -1.616 -0.181 -13.814 253 HG13 ILE 33 HG13 ILE 33 -3.336 0.142 -13.630 254 HG21 ILE 33 HG21 ILE 33 -0.605 3.163 -14.823 255 HG22 ILE 33 HG22 ILE 33 -0.081 1.745 -13.916 256 HG23 ILE 33 HG23 ILE 33 -0.536 1.587 -15.612 257 HD11 ILE 33 HD11 ILE 33 -3.602 -0.894 -15.571 258 HD12 ILE 33 HD12 ILE 33 -2.872 0.523 -16.326 259 HD13 ILE 33 HD13 ILE 33 -1.871 -0.867 -15.906 260 H GLU 34 H GLU 34 -0.472 3.454 -11.714 261 HA GLU 34 HA GLU 34 -1.083 6.201 -12.576 262 HB2 GLU 34 HB2 GLU 34 0.687 5.392 -10.270 263 HB3 GLU 34 HB3 GLU 34 0.060 6.994 -10.628 264 HG2 GLU 34 HG2 GLU 34 -2.144 5.231 -10.375 265 HG3 GLU 34 HG3 GLU 34 -1.069 4.969 -9.003 266 H ALA 35 H ALA 35 -0.032 5.993 -14.590 267 HA ALA 35 HA ALA 35 2.908 5.853 -14.406 268 HB1 ALA 35 HB1 ALA 35 1.082 4.401 -16.091 269 HB2 ALA 35 HB2 ALA 35 2.207 5.350 -17.064 270 HB3 ALA 35 HB3 ALA 35 2.821 4.195 -15.881 271 H ASP 36 H ASP 36 3.904 6.936 -16.461 272 HA ASP 36 HA ASP 36 2.579 9.547 -16.801 273 HB2 ASP 36 HB2 ASP 36 5.382 8.790 -16.238 274 HB3 ASP 36 HB3 ASP 36 5.163 10.079 -17.418 275 H GLY 37 H GLY 37 1.442 8.531 -18.619 276 HA2 GLY 37 HA2 GLY 37 1.641 9.199 -21.028 277 HA3 GLY 37 HA3 GLY 37 3.166 8.327 -21.011 278 H PHE 38 H PHE 38 3.083 6.375 -21.879 279 HA PHE 38 HA PHE 38 0.639 5.133 -22.594 280 HB2 PHE 38 HB2 PHE 38 3.403 3.908 -22.510 281 HB3 PHE 38 HB3 PHE 38 2.019 3.301 -23.413 282 HD1 PHE 38 HD2 PHE 38 0.975 5.012 -25.113 283 HD2 PHE 38 HD1 PHE 38 4.946 5.216 -23.596 284 HE1 PHE 38 HE2 PHE 38 1.641 6.374 -27.050 285 HE2 PHE 38 HE1 PHE 38 5.619 6.580 -25.530 286 HZ PHE 38 HZ PHE 38 3.966 7.160 -27.261 287 H ARG 39 H ARG 39 -0.705 4.267 -21.158 288 HA ARG 39 HA ARG 39 0.286 3.119 -18.688 289 HB2 ARG 39 HB2 ARG 39 -2.549 3.327 -19.720 290 HB3 ARG 39 HB3 ARG 39 -2.069 2.893 -18.085 291 HG2 ARG 39 HG2 ARG 39 -1.076 5.478 -19.114 292 HG3 ARG 39 HG3 ARG 39 -2.805 5.357 -18.785 293 HD2 ARG 39 HD2 ARG 39 -0.929 4.321 -16.731 294 HD3 ARG 39 HD3 ARG 39 -1.050 6.070 -16.922 295 HE ARG 39 HE ARG 39 -2.949 4.368 -15.687 296 HH11 ARG 39 HH11 ARG 39 -2.686 7.200 -17.694 297 HH12 ARG 39 HH12 ARG 39 -4.193 7.872 -17.168 298 HH21 ARG 39 HH21 ARG 39 -4.935 5.243 -14.986 299 HH22 ARG 39 HH22 ARG 39 -5.472 6.759 -15.627 300 H THR 40 H THR 40 1.383 1.267 -19.354 301 HA THR 40 HA THR 40 -0.298 -1.036 -19.784 302 HB THR 40 HB THR 40 1.875 -0.597 -21.821 303 HG1 THR 40 HG1 THR 40 -0.887 0.083 -21.996 304 HG21 THR 40 HG21 THR 40 1.343 -2.843 -21.839 305 HG22 THR 40 HG22 THR 40 0.207 -2.217 -23.035 306 HG23 THR 40 HG23 THR 40 -0.338 -2.556 -21.393 307 H LEU 41 H LEU 41 0.690 -2.964 -19.202 308 HA LEU 41 HA LEU 41 3.382 -2.686 -18.038 309 HB2 LEU 41 HB2 LEU 41 0.940 -4.142 -17.132 310 HB3 LEU 41 HB3 LEU 41 2.530 -4.750 -16.675 311 HG LEU 41 HG LEU 41 3.016 -2.621 -15.561 312 HD11 LEU 41 HD11 LEU 41 1.843 -0.953 -16.624 313 HD12 LEU 41 HD12 LEU 41 0.877 -1.181 -15.167 314 HD13 LEU 41 HD13 LEU 41 0.353 -1.894 -16.692 315 HD21 LEU 41 HD21 LEU 41 1.404 -2.865 -13.708 316 HD22 LEU 41 HD22 LEU 41 2.070 -4.408 -14.243 317 HD23 LEU 41 HD23 LEU 41 0.438 -3.939 -14.720 318 H ASN 42 H ASN 42 4.586 -4.792 -17.881 319 HA ASN 42 HA ASN 42 4.023 -6.522 -20.195 320 HB2 ASN 42 HB2 ASN 42 6.830 -5.830 -19.358 321 HB3 ASN 42 HB3 ASN 42 6.273 -6.508 -20.885 322 HD21 ASN 42 HD21 ASN 42 5.441 -5.166 -22.451 323 HD22 ASN 42 HD22 ASN 42 5.576 -3.445 -22.376 324 H GLU 43 H GLU 43 3.954 -8.622 -19.732 325 HA GLU 43 HA GLU 43 4.059 -9.654 -17.174 326 HB2 GLU 43 HB2 GLU 43 2.992 -10.850 -18.994 327 HB3 GLU 43 HB3 GLU 43 4.538 -11.068 -19.801 328 HG2 GLU 43 HG2 GLU 43 5.280 -12.383 -17.793 329 HG3 GLU 43 HG3 GLU 43 3.609 -12.326 -17.238 330 H GLY 44 H GLY 44 5.636 -10.176 -15.803 331 HA2 GLY 44 HA2 GLY 44 7.723 -11.199 -15.263 332 HA3 GLY 44 HA3 GLY 44 8.307 -10.780 -16.867 333 H GLU 45 H GLU 45 6.852 -8.059 -16.107 334 HA GLU 45 HA GLU 45 9.311 -6.839 -15.143 335 HB2 GLU 45 HB2 GLU 45 8.015 -5.909 -17.088 336 HB3 GLU 45 HB3 GLU 45 6.741 -5.478 -15.956 337 HG2 GLU 45 HG2 GLU 45 7.865 -3.709 -15.155 338 HG3 GLU 45 HG3 GLU 45 9.424 -4.526 -15.239 339 H HIS 46 H HIS 46 9.233 -5.190 -13.442 340 HA HIS 46 HA HIS 46 7.535 -6.089 -11.239 341 HB2 HIS 46 HB2 HIS 46 9.606 -4.017 -10.781 342 HB3 HIS 46 HB3 HIS 46 9.185 -5.425 -9.810 343 HD1 HIS 46 HD1 HIS 46 10.385 -7.646 -10.357 344 HD2 HIS 46 HD2 HIS 46 11.579 -4.444 -12.721 345 HE1 HIS 46 HE1 HIS 46 12.475 -8.415 -11.525 346 H VAL 47 H VAL 47 6.077 -4.807 -10.206 347 HA VAL 47 HA VAL 47 5.925 -1.971 -10.751 348 HB VAL 47 HB VAL 47 3.626 -2.006 -11.585 349 HG11 VAL 47 HG11 VAL 47 5.348 -3.769 -13.318 350 HG12 VAL 47 HG12 VAL 47 4.097 -2.636 -13.834 351 HG13 VAL 47 HG13 VAL 47 5.600 -2.033 -13.134 352 HG21 VAL 47 HG21 VAL 47 2.484 -4.003 -12.184 353 HG22 VAL 47 HG22 VAL 47 3.912 -4.990 -11.878 354 HG23 VAL 47 HG23 VAL 47 3.066 -4.224 -10.534 355 H GLU 48 H GLU 48 4.801 -0.850 -9.198 356 HA GLU 48 HA GLU 48 4.133 -2.352 -6.806 357 HB2 GLU 48 HB2 GLU 48 5.499 -0.221 -6.797 358 HB3 GLU 48 HB3 GLU 48 4.018 0.638 -7.196 359 HG2 GLU 48 HG2 GLU 48 2.993 -0.145 -5.130 360 HG3 GLU 48 HG3 GLU 48 4.465 -1.030 -4.731 361 H PHE 49 H PHE 49 2.148 -1.918 -5.606 362 HA PHE 49 HA PHE 49 -0.097 -0.769 -6.988 363 HB2 PHE 49 HB2 PHE 49 -1.443 -2.814 -7.076 364 HB3 PHE 49 HB3 PHE 49 0.007 -2.979 -8.061 365 HD1 PHE 49 HD1 PHE 49 1.884 -4.374 -7.269 366 HD2 PHE 49 HD2 PHE 49 -1.830 -4.208 -5.199 367 HE1 PHE 49 HE1 PHE 49 2.467 -6.439 -6.065 368 HE2 PHE 49 HE2 PHE 49 -1.253 -6.272 -3.990 369 HZ PHE 49 HZ PHE 49 0.898 -7.391 -4.424 370 H GLU 50 H GLU 50 -1.557 -0.023 -5.567 371 HA GLU 50 HA GLU 50 -1.150 -0.695 -2.746 372 HB2 GLU 50 HB2 GLU 50 -1.772 1.714 -4.168 373 HB3 GLU 50 HB3 GLU 50 -3.065 1.374 -3.027 374 HG2 GLU 50 HG2 GLU 50 -0.152 1.450 -2.287 375 HG3 GLU 50 HG3 GLU 50 -1.246 2.824 -2.143 376 H VAL 51 H VAL 51 -2.294 -2.511 -2.319 377 HA VAL 51 HA VAL 51 -4.789 -3.182 -3.438 378 HB VAL 51 HB VAL 51 -4.967 -4.835 -1.604 379 HG11 VAL 51 HG11 VAL 51 -2.244 -5.410 -2.195 380 HG12 VAL 51 HG12 VAL 51 -3.700 -6.109 -2.907 381 HG13 VAL 51 HG13 VAL 51 -2.979 -4.662 -3.613 382 HG21 VAL 51 HG21 VAL 51 -3.016 -5.029 -0.047 383 HG22 VAL 51 HG22 VAL 51 -2.500 -3.433 -0.589 384 HG23 VAL 51 HG23 VAL 51 -4.045 -3.626 0.238 385 H GLU 52 H GLU 52 -6.771 -2.463 -3.029 386 HA GLU 52 HA GLU 52 -7.242 -1.026 -0.499 387 HB2 GLU 52 HB2 GLU 52 -7.998 -0.385 -3.304 388 HB3 GLU 52 HB3 GLU 52 -9.158 0.012 -2.044 389 HG2 GLU 52 HG2 GLU 52 -6.325 0.991 -2.277 390 HG3 GLU 52 HG3 GLU 52 -7.802 1.930 -2.486 391 HA PRO 53 HA PRO 53 -10.565 -3.733 0.433 392 HB2 PRO 53 HB2 PRO 53 -12.380 -2.051 1.551 393 HB3 PRO 53 HB3 PRO 53 -10.880 -2.520 2.360 394 HG2 PRO 53 HG2 PRO 53 -11.509 -0.020 0.839 395 HG3 PRO 53 HG3 PRO 53 -10.641 -0.207 2.374 396 HD2 PRO 53 HD2 PRO 53 -9.365 0.164 0.015 397 HD3 PRO 53 HD3 PRO 53 -8.673 -0.803 1.333 398 H GLY 54 H GLY 54 -12.738 -1.054 0.006 399 HA2 GLY 54 HA2 GLY 54 -14.283 -2.555 -1.911 400 HA3 GLY 54 HA3 GLY 54 -14.689 -0.980 -1.244 401 H ARG 55 H ARG 55 -12.138 -2.368 -3.319 402 HA ARG 55 HA ARG 55 -12.662 -0.202 -5.237 403 HB2 ARG 55 HB2 ARG 55 -10.399 -0.336 -3.662 404 HB3 ARG 55 HB3 ARG 55 -9.877 -1.088 -5.164 405 HG2 ARG 55 HG2 ARG 55 -9.359 1.212 -5.326 406 HG3 ARG 55 HG3 ARG 55 -10.757 0.931 -6.366 407 HD2 ARG 55 HD2 ARG 55 -11.170 2.939 -5.160 408 HD3 ARG 55 HD3 ARG 55 -12.204 1.691 -4.466 409 HE ARG 55 HE ARG 55 -9.779 1.823 -3.035 410 HH11 ARG 55 HH11 ARG 55 -12.725 3.605 -3.550 411 HH12 ARG 55 HH12 ARG 55 -12.695 4.360 -1.991 412 HH21 ARG 55 HH21 ARG 55 -9.728 2.810 -0.979 413 HH22 ARG 55 HH22 ARG 55 -10.989 3.908 -0.530 414 H GLY 56 H GLY 56 -11.338 -3.430 -4.672 415 HA2 GLY 56 HA2 GLY 56 -11.612 -3.986 -7.556 416 HA3 GLY 56 HA3 GLY 56 -10.553 -4.863 -6.462 417 H GLY 57 H GLY 57 -12.656 -5.848 -8.278 418 HA2 GLY 57 HA2 GLY 57 -15.022 -6.568 -7.081 419 HA3 GLY 57 HA3 GLY 57 -14.165 -7.583 -8.232 420 H LYS 58 H LYS 58 -12.056 -8.551 -7.037 421 HA LYS 58 HA LYS 58 -13.111 -10.391 -5.141 422 HB2 LYS 58 HB2 LYS 58 -10.241 -9.884 -5.949 423 HB3 LYS 58 HB3 LYS 58 -10.818 -11.281 -5.048 424 HG2 LYS 58 HG2 LYS 58 -11.894 -10.620 -7.765 425 HG3 LYS 58 HG3 LYS 58 -10.409 -11.551 -7.554 426 HD2 LYS 58 HD2 LYS 58 -11.753 -13.340 -7.459 427 HD3 LYS 58 HD3 LYS 58 -12.142 -12.792 -5.827 428 HE2 LYS 58 HE2 LYS 58 -14.249 -12.978 -6.692 429 HE3 LYS 58 HE3 LYS 58 -13.896 -11.304 -7.118 430 HZ1 LYS 58 HZ1 LYS 58 -13.247 -13.466 -9.007 431 HZ2 LYS 58 HZ2 LYS 58 -13.583 -11.839 -9.321 432 HZ3 LYS 58 HZ3 LYS 58 -14.836 -12.894 -8.900 433 H GLY 59 H GLY 59 -11.942 -7.259 -4.821 434 HA2 GLY 59 HA2 GLY 59 -12.303 -6.374 -2.512 435 HA3 GLY 59 HA3 GLY 59 -11.312 -7.720 -1.970 436 HA PRO 60 HA PRO 60 -7.694 -5.275 -2.285 437 HB2 PRO 60 HB2 PRO 60 -5.849 -7.072 -3.144 438 HB3 PRO 60 HB3 PRO 60 -6.516 -7.088 -1.507 439 HG2 PRO 60 HG2 PRO 60 -7.268 -8.758 -3.874 440 HG3 PRO 60 HG3 PRO 60 -7.052 -9.247 -2.184 441 HD2 PRO 60 HD2 PRO 60 -9.492 -8.822 -3.277 442 HD3 PRO 60 HD3 PRO 60 -9.141 -8.494 -1.567 443 H GLN 61 H GLN 61 -7.631 -3.731 -3.809 444 HA GLN 61 HA GLN 61 -7.133 -4.556 -6.594 445 HB2 GLN 61 HB2 GLN 61 -9.273 -3.121 -5.696 446 HB3 GLN 61 HB3 GLN 61 -8.162 -1.835 -6.147 447 HG2 GLN 61 HG2 GLN 61 -7.919 -3.047 -8.371 448 HG3 GLN 61 HG3 GLN 61 -9.330 -3.983 -7.880 449 HE21 GLN 61 HE21 GLN 61 -10.227 -3.013 -9.848 450 HE22 GLN 61 HE22 GLN 61 -10.961 -1.453 -9.739 451 H ALA 62 H ALA 62 -5.948 -2.886 -7.892 452 HA ALA 62 HA ALA 62 -3.618 -2.020 -6.380 453 HB1 ALA 62 HB1 ALA 62 -2.820 -1.428 -8.771 454 HB2 ALA 62 HB2 ALA 62 -2.954 -3.124 -8.304 455 HB3 ALA 62 HB3 ALA 62 -4.212 -2.379 -9.289 456 H LYS 63 H LYS 63 -5.444 -0.437 -5.463 457 HA LYS 63 HA LYS 63 -6.436 1.746 -6.700 458 HB2 LYS 63 HB2 LYS 63 -6.833 1.512 -4.378 459 HB3 LYS 63 HB3 LYS 63 -5.115 1.527 -4.002 460 HG2 LYS 63 HG2 LYS 63 -6.259 3.611 -3.372 461 HG3 LYS 63 HG3 LYS 63 -4.966 3.867 -4.546 462 HD2 LYS 63 HD2 LYS 63 -6.924 5.182 -5.137 463 HD3 LYS 63 HD3 LYS 63 -6.635 3.931 -6.349 464 HE2 LYS 63 HE2 LYS 63 -8.619 2.987 -5.969 465 HE3 LYS 63 HE3 LYS 63 -8.367 2.994 -4.224 466 HZ1 LYS 63 HZ1 LYS 63 -8.844 5.621 -4.993 467 HZ2 LYS 63 HZ2 LYS 63 -9.852 4.610 -4.086 468 HZ3 LYS 63 HZ3 LYS 63 -10.013 4.676 -5.769 469 H LYS 64 H LYS 64 -3.088 1.420 -5.558 470 HA LYS 64 HA LYS 64 -2.358 3.636 -7.357 471 HB2 LYS 64 HB2 LYS 64 -2.218 3.804 -4.653 472 HB3 LYS 64 HB3 LYS 64 -0.622 3.162 -5.014 473 HG2 LYS 64 HG2 LYS 64 -0.471 5.538 -4.931 474 HG3 LYS 64 HG3 LYS 64 -0.297 5.038 -6.615 475 HD2 LYS 64 HD2 LYS 64 -1.751 6.978 -6.454 476 HD3 LYS 64 HD3 LYS 64 -2.666 5.572 -7.001 477 HE2 LYS 64 HE2 LYS 64 -3.579 5.250 -4.796 478 HE3 LYS 64 HE3 LYS 64 -2.559 6.533 -4.145 479 HZ1 LYS 64 HZ1 LYS 64 -4.089 7.496 -6.324 480 HZ2 LYS 64 HZ2 LYS 64 -4.061 8.035 -4.721 481 HZ3 LYS 64 HZ3 LYS 64 -5.108 6.787 -5.175 482 H VAL 65 H VAL 65 -1.509 2.545 -9.046 483 HA VAL 65 HA VAL 65 0.503 0.472 -8.490 484 HB VAL 65 HB VAL 65 -1.582 0.700 -10.474 485 HG11 VAL 65 HG11 VAL 65 0.118 1.566 -11.948 486 HG12 VAL 65 HG12 VAL 65 1.218 0.259 -11.504 487 HG13 VAL 65 HG13 VAL 65 -0.256 -0.095 -12.406 488 HG21 VAL 65 HG21 VAL 65 -0.834 -1.221 -8.900 489 HG22 VAL 65 HG22 VAL 65 -1.428 -1.612 -10.514 490 HG23 VAL 65 HG23 VAL 65 0.306 -1.604 -10.191 491 H ARG 66 H ARG 66 2.539 0.571 -9.392 492 HA ARG 66 HA ARG 66 3.223 2.997 -10.902 493 HB2 ARG 66 HB2 ARG 66 4.126 2.253 -8.239 494 HB3 ARG 66 HB3 ARG 66 5.471 2.465 -9.352 495 HG2 ARG 66 HG2 ARG 66 3.322 4.533 -9.184 496 HG3 ARG 66 HG3 ARG 66 4.614 4.483 -7.982 497 HD2 ARG 66 HD2 ARG 66 5.077 4.591 -10.958 498 HD3 ARG 66 HD3 ARG 66 5.043 6.011 -9.914 499 HE ARG 66 HE ARG 66 6.878 4.238 -8.821 500 HH11 ARG 66 HH11 ARG 66 6.477 6.081 -11.747 501 HH12 ARG 66 HH12 ARG 66 8.178 6.255 -12.026 502 HH21 ARG 66 HH21 ARG 66 9.120 4.460 -9.177 503 HH22 ARG 66 HH22 ARG 66 9.681 5.332 -10.563 504 H ARG 67 H ARG 67 5.079 2.818 -12.244 505 HA ARG 67 HA ARG 67 5.502 0.113 -13.208 506 HB2 ARG 67 HB2 ARG 67 5.125 2.278 -14.621 507 HB3 ARG 67 HB3 ARG 67 6.844 2.537 -14.354 508 HG2 ARG 67 HG2 ARG 67 7.403 0.509 -15.467 509 HG3 ARG 67 HG3 ARG 67 5.709 0.018 -15.540 510 HD2 ARG 67 HD2 ARG 67 6.042 0.824 -17.670 511 HD3 ARG 67 HD3 ARG 67 5.412 2.252 -16.850 512 HE ARG 67 HE ARG 67 7.438 3.275 -17.150 513 HH11 ARG 67 HH11 ARG 67 7.793 -0.145 -17.696 514 HH12 ARG 67 HH12 ARG 67 9.416 -0.014 -18.287 515 HH21 ARG 67 HH21 ARG 67 9.574 3.460 -17.927 516 HH22 ARG 67 HH22 ARG 67 10.429 2.037 -18.417 517 H ILE 68 H ILE 68 7.320 -1.060 -12.987 518 HA ILE 68 HA ILE 68 9.757 0.226 -12.013 519 HB ILE 68 HB ILE 68 8.720 -2.264 -10.672 520 HG12 ILE 68 HG12 ILE 68 7.237 -0.223 -10.328 521 HG13 ILE 68 HG13 ILE 68 7.882 -0.969 -8.869 522 HG21 ILE 68 HG21 ILE 68 10.937 -0.321 -10.060 523 HG22 ILE 68 HG22 ILE 68 10.384 -1.562 -8.936 524 HG23 ILE 68 HG23 ILE 68 11.084 -2.026 -10.487 525 HD11 ILE 68 HD11 ILE 68 9.456 1.232 -10.053 526 HD12 ILE 68 HD12 ILE 68 7.922 1.652 -9.289 527 HD13 ILE 68 HD13 ILE 68 9.170 0.816 -8.364 Start of MODEL 11 1 H1 MET 1 H MET 1 1.524 -0.155 0.855 2 HA MET 1 HA MET 1 0.905 -0.286 -2.013 3 HB2 MET 1 HB2 MET 1 2.987 1.097 -2.413 4 HB3 MET 1 HB3 MET 1 1.609 1.965 -1.750 5 HG2 MET 1 HG2 MET 1 3.379 0.892 0.296 6 HG3 MET 1 HG3 MET 1 4.171 2.032 -0.789 7 HE1 MET 1 HE1 MET 1 3.505 5.140 -0.084 8 HE2 MET 1 HE2 MET 1 3.339 4.073 -1.478 9 HE3 MET 1 HE3 MET 1 1.936 4.952 -0.868 10 H LYS 2 H LYS 2 1.615 -2.172 -2.735 11 HA LYS 2 HA LYS 2 4.115 -3.259 -1.614 12 HB2 LYS 2 HB2 LYS 2 1.803 -4.827 -2.769 13 HB3 LYS 2 HB3 LYS 2 3.256 -5.494 -2.034 14 HG2 LYS 2 HG2 LYS 2 1.121 -3.891 -0.641 15 HG3 LYS 2 HG3 LYS 2 1.401 -5.628 -0.495 16 HD2 LYS 2 HD2 LYS 2 3.714 -5.063 0.342 17 HD3 LYS 2 HD3 LYS 2 3.185 -3.381 0.426 18 HE2 LYS 2 HE2 LYS 2 2.860 -4.225 2.591 19 HE3 LYS 2 HE3 LYS 2 1.257 -4.232 1.858 20 HZ1 LYS 2 HZ1 LYS 2 3.062 -6.575 2.133 21 HZ2 LYS 2 HZ2 LYS 2 1.553 -6.596 1.371 22 HZ3 LYS 2 HZ3 LYS 2 1.658 -6.287 3.031 23 H LYS 3 H LYS 3 5.507 -4.397 -3.050 24 HA LYS 3 HA LYS 3 5.124 -3.664 -5.879 25 HB2 LYS 3 HB2 LYS 3 7.776 -4.102 -4.507 26 HB3 LYS 3 HB3 LYS 3 7.496 -3.426 -6.107 27 HG2 LYS 3 HG2 LYS 3 6.530 -1.443 -5.161 28 HG3 LYS 3 HG3 LYS 3 6.608 -2.131 -3.538 29 HD2 LYS 3 HD2 LYS 3 9.133 -1.967 -5.094 30 HD3 LYS 3 HD3 LYS 3 8.461 -0.463 -4.461 31 HE2 LYS 3 HE2 LYS 3 8.262 -1.832 -2.243 32 HE3 LYS 3 HE3 LYS 3 9.486 -2.855 -2.994 33 HZ1 LYS 3 HZ1 LYS 3 9.891 -0.485 -1.634 34 HZ2 LYS 3 HZ2 LYS 3 10.188 -0.128 -3.260 35 HZ3 LYS 3 HZ3 LYS 3 11.039 -1.376 -2.499 36 H GLY 4 H GLY 4 5.327 -5.218 -7.412 37 HA2 GLY 4 HA2 GLY 4 6.654 -7.710 -6.934 38 HA3 GLY 4 HA3 GLY 4 4.905 -7.875 -6.866 39 H THR 5 H THR 5 6.429 -9.231 -8.741 40 HA THR 5 HA THR 5 6.476 -7.825 -11.238 41 HB THR 5 HB THR 5 6.730 -10.259 -12.137 42 HG1 THR 5 HG1 THR 5 6.011 -11.044 -9.938 43 HG21 THR 5 HG21 THR 5 8.872 -9.276 -10.262 44 HG22 THR 5 HG22 THR 5 8.525 -8.496 -11.805 45 HG23 THR 5 HG23 THR 5 9.068 -10.173 -11.766 46 H VAL 6 H VAL 6 5.214 -8.380 -13.116 47 HA VAL 6 HA VAL 6 2.443 -9.015 -12.407 48 HB VAL 6 HB VAL 6 2.968 -6.887 -13.635 49 HG11 VAL 6 HG11 VAL 6 3.973 -6.838 -15.645 50 HG12 VAL 6 HG12 VAL 6 4.578 -8.430 -15.183 51 HG13 VAL 6 HG13 VAL 6 3.148 -8.291 -16.207 52 HG21 VAL 6 HG21 VAL 6 1.120 -7.176 -15.292 53 HG22 VAL 6 HG22 VAL 6 1.122 -8.899 -14.914 54 HG23 VAL 6 HG23 VAL 6 0.726 -7.722 -13.662 55 H LYS 7 H LYS 7 1.385 -10.753 -13.183 56 HA LYS 7 HA LYS 7 2.943 -12.750 -14.605 57 HB2 LYS 7 HB2 LYS 7 1.165 -12.974 -12.582 58 HB3 LYS 7 HB3 LYS 7 0.105 -13.281 -13.952 59 HG2 LYS 7 HG2 LYS 7 1.074 -15.267 -14.435 60 HG3 LYS 7 HG3 LYS 7 2.675 -14.740 -13.909 61 HD2 LYS 7 HD2 LYS 7 2.033 -16.339 -12.321 62 HD3 LYS 7 HD3 LYS 7 1.710 -14.790 -11.539 63 HE2 LYS 7 HE2 LYS 7 -0.579 -15.016 -11.743 64 HE3 LYS 7 HE3 LYS 7 -0.452 -16.132 -13.102 65 HZ1 LYS 7 HZ1 LYS 7 -1.132 -17.049 -10.826 66 HZ2 LYS 7 HZ2 LYS 7 0.504 -16.910 -10.422 67 HZ3 LYS 7 HZ3 LYS 7 0.032 -17.900 -11.710 68 H TRP 8 H TRP 8 0.201 -10.640 -15.138 69 HA TRP 8 HA TRP 8 0.443 -10.802 -17.953 70 HB2 TRP 8 HB2 TRP 8 -1.456 -12.036 -18.588 71 HB3 TRP 8 HB3 TRP 8 -0.712 -13.011 -17.323 72 HD1 TRP 8 HD1 TRP 8 -3.661 -10.557 -17.804 73 HE1 TRP 8 HE1 TRP 8 -5.472 -11.136 -16.069 74 HE3 TRP 8 HE3 TRP 8 -1.162 -14.176 -15.198 75 HZ2 TRP 8 HZ2 TRP 8 -5.798 -12.893 -13.884 76 HZ3 TRP 8 HZ3 TRP 8 -2.294 -15.256 -13.298 77 HH2 TRP 8 HH2 TRP 8 -4.563 -14.626 -12.656 78 H PHE 9 H PHE 9 -0.552 -9.100 -18.926 79 HA PHE 9 HA PHE 9 -2.513 -7.573 -17.360 80 HB2 PHE 9 HB2 PHE 9 -0.258 -6.553 -17.100 81 HB3 PHE 9 HB3 PHE 9 -0.184 -6.343 -18.847 82 HD1 PHE 9 HD1 PHE 9 -1.537 -4.671 -19.959 83 HD2 PHE 9 HD2 PHE 9 -1.685 -5.169 -15.735 84 HE1 PHE 9 HE1 PHE 9 -2.668 -2.497 -19.746 85 HE2 PHE 9 HE2 PHE 9 -2.817 -2.996 -15.515 86 HZ PHE 9 HZ PHE 9 -3.309 -1.656 -17.522 87 H ASN 10 H ASN 10 -4.262 -8.015 -18.607 88 HA ASN 10 HA ASN 10 -4.166 -8.044 -21.466 89 HB2 ASN 10 HB2 ASN 10 -5.832 -9.197 -19.732 90 HB3 ASN 10 HB3 ASN 10 -6.760 -7.730 -20.033 91 HD21 ASN 10 HD21 ASN 10 -8.217 -9.534 -20.818 92 HD22 ASN 10 HD22 ASN 10 -8.102 -9.937 -22.494 93 H ALA 11 H ALA 11 -3.421 -6.043 -22.151 94 HA ALA 11 HA ALA 11 -4.418 -3.558 -21.276 95 HB1 ALA 11 HB1 ALA 11 -2.791 -2.765 -22.566 96 HB2 ALA 11 HB2 ALA 11 -2.423 -4.431 -23.014 97 HB3 ALA 11 HB3 ALA 11 -3.513 -3.469 -24.013 98 H GLU 12 H GLU 12 -5.494 -5.801 -23.741 99 HA GLU 12 HA GLU 12 -7.193 -4.110 -25.187 100 HB2 GLU 12 HB2 GLU 12 -7.072 -7.063 -24.729 101 HB3 GLU 12 HB3 GLU 12 -8.479 -6.381 -25.534 102 HG2 GLU 12 HG2 GLU 12 -6.820 -7.167 -27.132 103 HG3 GLU 12 HG3 GLU 12 -7.064 -5.425 -27.255 104 H LYS 13 H LYS 13 -7.752 -6.013 -22.263 105 HA LYS 13 HA LYS 13 -10.516 -5.145 -22.099 106 HB2 LYS 13 HB2 LYS 13 -8.783 -6.953 -20.433 107 HB3 LYS 13 HB3 LYS 13 -10.360 -6.424 -19.862 108 HG2 LYS 13 HG2 LYS 13 -10.243 -7.579 -22.581 109 HG3 LYS 13 HG3 LYS 13 -9.992 -8.681 -21.224 110 HD2 LYS 13 HD2 LYS 13 -12.294 -8.757 -21.550 111 HD3 LYS 13 HD3 LYS 13 -12.116 -7.588 -20.240 112 HE2 LYS 13 HE2 LYS 13 -12.030 -6.471 -22.964 113 HE3 LYS 13 HE3 LYS 13 -13.578 -7.161 -22.476 114 HZ1 LYS 13 HZ1 LYS 13 -12.836 -4.664 -21.934 115 HZ2 LYS 13 HZ2 LYS 13 -12.302 -5.433 -20.526 116 HZ3 LYS 13 HZ3 LYS 13 -13.927 -5.538 -20.981 117 H GLY 14 H GLY 14 -7.432 -4.496 -20.530 118 HA2 GLY 14 HA2 GLY 14 -6.929 -2.352 -19.615 119 HA3 GLY 14 HA3 GLY 14 -8.643 -2.114 -19.313 120 H TYR 15 H TYR 15 -7.183 -5.143 -18.486 121 HA TYR 15 HA TYR 15 -7.027 -4.338 -15.664 122 HB2 TYR 15 HB2 TYR 15 -8.147 -7.019 -16.413 123 HB3 TYR 15 HB3 TYR 15 -8.335 -6.118 -14.913 124 HD1 TYR 15 HD1 TYR 15 -9.402 -3.603 -15.536 125 HD2 TYR 15 HD2 TYR 15 -10.141 -7.292 -17.523 126 HE1 TYR 15 HE1 TYR 15 -11.566 -2.739 -16.322 127 HE2 TYR 15 HE2 TYR 15 -12.307 -6.437 -18.316 128 HH TYR 15 HH TYR 15 -13.780 -4.771 -18.206 129 H GLY 16 H GLY 16 -6.053 -6.292 -14.363 130 HA2 GLY 16 HA2 GLY 16 -4.296 -8.077 -15.669 131 HA3 GLY 16 HA3 GLY 16 -3.413 -6.630 -15.207 132 H PHE 17 H PHE 17 -2.559 -8.918 -14.137 133 HA PHE 17 HA PHE 17 -3.447 -8.710 -11.342 134 HB2 PHE 17 HB2 PHE 17 -3.133 -11.166 -13.023 135 HB3 PHE 17 HB3 PHE 17 -2.787 -11.258 -11.299 136 HD1 PHE 17 HD1 PHE 17 -5.427 -10.063 -13.641 137 HD2 PHE 17 HD2 PHE 17 -4.500 -11.755 -9.847 138 HE1 PHE 17 HE1 PHE 17 -7.828 -10.334 -13.179 139 HE2 PHE 17 HE2 PHE 17 -6.900 -12.029 -9.379 140 HZ PHE 17 HZ PHE 17 -8.567 -11.317 -11.046 141 H ILE 18 H ILE 18 -1.855 -8.577 -9.861 142 HA ILE 18 HA ILE 18 0.912 -8.889 -10.830 143 HB ILE 18 HB ILE 18 -0.113 -7.011 -8.697 144 HG12 ILE 18 HG12 ILE 18 1.231 -6.158 -11.235 145 HG13 ILE 18 HG13 ILE 18 -0.479 -6.575 -11.265 146 HG21 ILE 18 HG21 ILE 18 2.305 -6.118 -8.994 147 HG22 ILE 18 HG22 ILE 18 2.023 -7.533 -7.983 148 HG23 ILE 18 HG23 ILE 18 2.637 -7.731 -9.624 149 HD11 ILE 18 HD11 ILE 18 -0.486 -4.909 -9.183 150 HD12 ILE 18 HD12 ILE 18 0.888 -4.252 -10.073 151 HD13 ILE 18 HD13 ILE 18 -0.690 -4.372 -10.850 152 H GLN 19 H GLN 19 2.469 -9.725 -9.378 153 HA GLN 19 HA GLN 19 1.324 -11.230 -7.118 154 HB2 GLN 19 HB2 GLN 19 3.470 -12.040 -9.077 155 HB3 GLN 19 HB3 GLN 19 3.187 -12.889 -7.564 156 HG2 GLN 19 HG2 GLN 19 2.092 -14.051 -9.355 157 HG3 GLN 19 HG3 GLN 19 0.881 -13.351 -8.282 158 HE21 GLN 19 HE21 GLN 19 -0.724 -13.319 -9.818 159 HE22 GLN 19 HE22 GLN 19 -0.705 -12.248 -11.174 160 H GLN 20 H GLN 20 2.080 -10.629 -5.208 161 HA GLN 20 HA GLN 20 4.743 -9.375 -5.083 162 HB2 GLN 20 HB2 GLN 20 3.976 -8.076 -3.199 163 HB3 GLN 20 HB3 GLN 20 2.855 -7.859 -4.536 164 HG2 GLN 20 HG2 GLN 20 1.179 -9.051 -3.506 165 HG3 GLN 20 HG3 GLN 20 2.300 -9.939 -2.475 166 HE21 GLN 20 HE21 GLN 20 3.738 -8.077 -1.249 167 HE22 GLN 20 HE22 GLN 20 2.743 -7.026 -0.307 168 H GLU 21 H GLU 21 5.140 -9.383 -2.374 169 HA GLU 21 HA GLU 21 5.773 -12.171 -1.922 170 HB2 GLU 21 HB2 GLU 21 6.359 -9.762 -0.192 171 HB3 GLU 21 HB3 GLU 21 7.057 -11.366 -0.012 172 HG2 GLU 21 HG2 GLU 21 8.259 -11.161 -2.052 173 HG3 GLU 21 HG3 GLU 21 7.405 -9.679 -2.474 174 H GLU 22 H GLU 22 3.412 -9.878 -0.902 175 HA GLU 22 HA GLU 22 2.237 -11.905 0.859 176 HB2 GLU 22 HB2 GLU 22 2.410 -8.987 1.618 177 HB3 GLU 22 HB3 GLU 22 1.750 -10.297 2.587 178 HG2 GLU 22 HG2 GLU 22 4.068 -11.315 2.534 179 HG3 GLU 22 HG3 GLU 22 4.619 -9.771 1.884 180 H GLY 23 H GLY 23 0.872 -12.210 -1.027 181 HA2 GLY 23 HA2 GLY 23 -1.566 -11.828 -1.252 182 HA3 GLY 23 HA3 GLY 23 -1.197 -10.109 -1.238 183 HA PRO 24 HA PRO 24 0.442 -11.787 -5.470 184 HB2 PRO 24 HB2 PRO 24 -0.219 -14.343 -6.102 185 HB3 PRO 24 HB3 PRO 24 1.268 -13.919 -5.245 186 HG2 PRO 24 HG2 PRO 24 -1.322 -14.947 -4.150 187 HG3 PRO 24 HG3 PRO 24 0.336 -15.412 -3.725 188 HD2 PRO 24 HD2 PRO 24 -1.133 -13.712 -2.213 189 HD3 PRO 24 HD3 PRO 24 0.632 -13.582 -2.354 190 H ASP 25 H ASP 25 -0.674 -12.465 -7.573 191 HA ASP 25 HA ASP 25 -2.400 -11.877 -8.971 192 HB2 ASP 25 HB2 ASP 25 -4.429 -13.298 -8.599 193 HB3 ASP 25 HB3 ASP 25 -2.914 -14.197 -8.592 194 H VAL 26 H VAL 26 -2.353 -9.650 -8.083 195 HA VAL 26 HA VAL 26 -4.637 -8.996 -6.370 196 HB VAL 26 HB VAL 26 -2.210 -8.061 -6.078 197 HG11 VAL 26 HG11 VAL 26 -3.184 -5.824 -7.775 198 HG12 VAL 26 HG12 VAL 26 -1.535 -6.302 -7.369 199 HG13 VAL 26 HG13 VAL 26 -2.448 -7.214 -8.571 200 HG21 VAL 26 HG21 VAL 26 -3.993 -7.399 -4.639 201 HG22 VAL 26 HG22 VAL 26 -3.181 -5.931 -5.183 202 HG23 VAL 26 HG23 VAL 26 -4.720 -6.404 -5.901 203 H PHE 27 H PHE 27 -6.233 -7.534 -6.985 204 HA PHE 27 HA PHE 27 -6.883 -7.541 -9.769 205 HB2 PHE 27 HB2 PHE 27 -8.348 -7.367 -7.463 206 HB3 PHE 27 HB3 PHE 27 -8.402 -5.707 -8.045 207 HD1 PHE 27 HD1 PHE 27 -8.509 -9.028 -9.744 208 HD2 PHE 27 HD2 PHE 27 -10.407 -5.279 -9.066 209 HE1 PHE 27 HE1 PHE 27 -10.288 -9.646 -11.327 210 HE2 PHE 27 HE2 PHE 27 -12.189 -5.891 -10.647 211 HZ PHE 27 HZ PHE 27 -12.131 -8.077 -11.781 212 H VAL 28 H VAL 28 -5.990 -6.216 -11.196 213 HA VAL 28 HA VAL 28 -5.488 -3.424 -10.397 214 HB VAL 28 HB VAL 28 -3.391 -3.409 -11.215 215 HG11 VAL 28 HG11 VAL 28 -3.812 -6.380 -10.925 216 HG12 VAL 28 HG12 VAL 28 -2.235 -5.598 -11.043 217 HG13 VAL 28 HG13 VAL 28 -3.291 -5.254 -9.673 218 HG21 VAL 28 HG21 VAL 28 -3.971 -3.600 -13.514 219 HG22 VAL 28 HG22 VAL 28 -2.678 -4.761 -13.211 220 HG23 VAL 28 HG23 VAL 28 -4.348 -5.315 -13.342 221 H HIS 29 H HIS 29 -6.085 -1.849 -11.819 222 HA HIS 29 HA HIS 29 -7.214 -2.707 -14.397 223 HB2 HIS 29 HB2 HIS 29 -8.446 -0.928 -12.307 224 HB3 HIS 29 HB3 HIS 29 -8.916 -0.803 -14.000 225 HD1 HIS 29 HD1 HIS 29 -11.120 -1.903 -14.195 226 HD2 HIS 29 HD2 HIS 29 -8.520 -4.068 -11.783 227 HE1 HIS 29 HE1 HIS 29 -12.360 -4.005 -13.586 228 H PHE 30 H PHE 30 -7.315 -1.019 -16.024 229 HA PHE 30 HA PHE 30 -4.918 0.470 -16.171 230 HB2 PHE 30 HB2 PHE 30 -5.622 1.133 -18.314 231 HB3 PHE 30 HB3 PHE 30 -6.354 -0.452 -18.093 232 HD1 PHE 30 HD2 PHE 30 -8.783 -0.459 -17.160 233 HD2 PHE 30 HD1 PHE 30 -6.929 2.902 -19.000 234 HE1 PHE 30 HE2 PHE 30 -10.999 0.496 -17.641 235 HE2 PHE 30 HE1 PHE 30 -9.142 3.863 -19.482 236 HZ PHE 30 HZ PHE 30 -11.181 2.660 -18.802 237 H THR 31 H THR 31 -7.872 1.123 -14.664 238 HA THR 31 HA THR 31 -7.607 4.020 -14.851 239 HB THR 31 HB THR 31 -9.638 2.641 -13.126 240 HG1 THR 31 HG1 THR 31 -10.150 3.166 -15.854 241 HG21 THR 31 HG21 THR 31 -9.792 4.951 -12.890 242 HG22 THR 31 HG22 THR 31 -10.989 4.612 -14.140 243 HG23 THR 31 HG23 THR 31 -9.406 5.249 -14.584 244 H ALA 32 H ALA 32 -6.375 1.575 -12.957 245 HA ALA 32 HA ALA 32 -6.156 3.305 -10.586 246 HB1 ALA 32 HB1 ALA 32 -6.974 0.727 -10.682 247 HB2 ALA 32 HB2 ALA 32 -5.252 0.517 -10.361 248 HB3 ALA 32 HB3 ALA 32 -6.241 1.485 -9.268 249 H ILE 33 H ILE 33 -4.435 2.111 -13.243 250 HA ILE 33 HA ILE 33 -1.841 1.894 -12.125 251 HB ILE 33 HB ILE 33 -2.885 2.220 -14.911 252 HG12 ILE 33 HG12 ILE 33 -0.920 0.139 -14.205 253 HG13 ILE 33 HG13 ILE 33 -2.444 0.044 -13.329 254 HG21 ILE 33 HG21 ILE 33 -0.458 2.007 -15.650 255 HG22 ILE 33 HG22 ILE 33 -0.984 3.587 -15.071 256 HG23 ILE 33 HG23 ILE 33 -0.035 2.534 -14.021 257 HD11 ILE 33 HD11 ILE 33 -3.457 -0.837 -15.084 258 HD12 ILE 33 HD12 ILE 33 -2.921 0.483 -16.125 259 HD13 ILE 33 HD13 ILE 33 -1.886 -0.924 -15.879 260 H GLU 34 H GLU 34 -0.449 3.411 -11.509 261 HA GLU 34 HA GLU 34 -0.991 6.196 -12.299 262 HB2 GLU 34 HB2 GLU 34 0.595 5.334 -9.886 263 HB3 GLU 34 HB3 GLU 34 -0.075 6.922 -10.230 264 HG2 GLU 34 HG2 GLU 34 -2.244 5.146 -10.230 265 HG3 GLU 34 HG3 GLU 34 -1.251 4.719 -8.838 266 H ALA 35 H ALA 35 0.250 6.312 -14.139 267 HA ALA 35 HA ALA 35 3.152 6.187 -13.701 268 HB1 ALA 35 HB1 ALA 35 2.755 5.482 -16.383 269 HB2 ALA 35 HB2 ALA 35 3.350 4.456 -15.077 270 HB3 ALA 35 HB3 ALA 35 1.627 4.497 -15.451 271 H ASP 36 H ASP 36 4.228 7.154 -15.838 272 HA ASP 36 HA ASP 36 2.981 9.784 -16.179 273 HB2 ASP 36 HB2 ASP 36 5.437 9.368 -15.376 274 HB3 ASP 36 HB3 ASP 36 5.761 9.128 -17.091 275 H GLY 37 H GLY 37 1.434 8.764 -17.703 276 HA2 GLY 37 HA2 GLY 37 1.136 9.356 -20.103 277 HA3 GLY 37 HA3 GLY 37 2.639 8.492 -20.388 278 H PHE 38 H PHE 38 -0.485 8.228 -20.942 279 HA PHE 38 HA PHE 38 -1.388 5.815 -19.944 280 HB2 PHE 38 HB2 PHE 38 -2.750 7.395 -21.289 281 HB3 PHE 38 HB3 PHE 38 -1.873 6.890 -22.730 282 HD1 PHE 38 HD1 PHE 38 -3.842 5.417 -19.927 283 HD2 PHE 38 HD2 PHE 38 -2.796 5.254 -24.049 284 HE1 PHE 38 HE1 PHE 38 -5.454 3.588 -20.260 285 HE2 PHE 38 HE2 PHE 38 -4.407 3.425 -24.389 286 HZ PHE 38 HZ PHE 38 -5.739 2.590 -22.493 287 H ARG 39 H ARG 39 -0.362 3.930 -19.948 288 HA ARG 39 HA ARG 39 0.587 2.833 -22.469 289 HB2 ARG 39 HB2 ARG 39 2.419 4.047 -20.837 290 HB3 ARG 39 HB3 ARG 39 2.497 2.380 -20.282 291 HG2 ARG 39 HG2 ARG 39 3.391 1.625 -22.228 292 HG3 ARG 39 HG3 ARG 39 2.580 2.850 -23.205 293 HD2 ARG 39 HD2 ARG 39 4.641 3.764 -21.275 294 HD3 ARG 39 HD3 ARG 39 5.193 2.916 -22.719 295 HE ARG 39 HE ARG 39 4.198 5.577 -22.580 296 HH11 ARG 39 HH11 ARG 39 4.316 2.752 -24.611 297 HH12 ARG 39 HH12 ARG 39 4.149 3.645 -26.086 298 HH21 ARG 39 HH21 ARG 39 3.977 6.764 -24.515 299 HH22 ARG 39 HH22 ARG 39 3.957 5.927 -26.031 300 H THR 40 H THR 40 1.797 0.560 -21.593 301 HA THR 40 HA THR 40 -0.212 -0.730 -19.868 302 HB THR 40 HB THR 40 -0.562 -1.263 -22.299 303 HG1 THR 40 HG1 THR 40 -0.378 -3.681 -21.785 304 HG21 THR 40 HG21 THR 40 1.032 -2.187 -23.606 305 HG22 THR 40 HG22 THR 40 1.689 -3.160 -22.290 306 HG23 THR 40 HG23 THR 40 2.139 -1.462 -22.441 307 H LEU 41 H LEU 41 0.661 -3.110 -19.401 308 HA LEU 41 HA LEU 41 3.400 -2.756 -18.387 309 HB2 LEU 41 HB2 LEU 41 1.117 -4.447 -17.393 310 HB3 LEU 41 HB3 LEU 41 2.762 -4.572 -16.774 311 HG LEU 41 HG LEU 41 1.562 -3.265 -15.219 312 HD11 LEU 41 HD11 LEU 41 2.916 -1.184 -16.904 313 HD12 LEU 41 HD12 LEU 41 3.825 -2.421 -16.037 314 HD13 LEU 41 HD13 LEU 41 2.811 -1.286 -15.147 315 HD21 LEU 41 HD21 LEU 41 0.734 -1.094 -16.991 316 HD22 LEU 41 HD22 LEU 41 -0.149 -1.904 -15.696 317 HD23 LEU 41 HD23 LEU 41 -0.086 -2.624 -17.306 318 H ASN 42 H ASN 42 4.691 -4.777 -18.194 319 HA ASN 42 HA ASN 42 4.131 -6.611 -20.432 320 HB2 ASN 42 HB2 ASN 42 6.923 -5.964 -19.526 321 HB3 ASN 42 HB3 ASN 42 6.387 -6.620 -21.070 322 HD21 ASN 42 HD21 ASN 42 7.810 -4.069 -19.901 323 HD22 ASN 42 HD22 ASN 42 7.140 -2.810 -20.876 324 H GLU 43 H GLU 43 4.012 -8.697 -19.920 325 HA GLU 43 HA GLU 43 4.039 -9.664 -17.330 326 HB2 GLU 43 HB2 GLU 43 2.972 -10.887 -19.124 327 HB3 GLU 43 HB3 GLU 43 4.518 -11.143 -19.920 328 HG2 GLU 43 HG2 GLU 43 5.258 -12.537 -18.071 329 HG3 GLU 43 HG3 GLU 43 3.731 -12.257 -17.237 330 H GLY 44 H GLY 44 5.586 -10.152 -15.917 331 HA2 GLY 44 HA2 GLY 44 7.641 -11.236 -15.332 332 HA3 GLY 44 HA3 GLY 44 8.264 -10.834 -16.925 333 H GLU 45 H GLU 45 6.861 -8.082 -16.254 334 HA GLU 45 HA GLU 45 9.310 -6.890 -15.247 335 HB2 GLU 45 HB2 GLU 45 8.055 -5.938 -17.196 336 HB3 GLU 45 HB3 GLU 45 6.752 -5.521 -16.091 337 HG2 GLU 45 HG2 GLU 45 7.853 -3.757 -15.240 338 HG3 GLU 45 HG3 GLU 45 9.420 -4.560 -15.318 339 H HIS 46 H HIS 46 9.256 -5.259 -13.539 340 HA HIS 46 HA HIS 46 7.538 -6.136 -11.345 341 HB2 HIS 46 HB2 HIS 46 9.632 -4.080 -10.897 342 HB3 HIS 46 HB3 HIS 46 9.183 -5.465 -9.907 343 HD1 HIS 46 HD1 HIS 46 10.364 -7.704 -10.394 344 HD2 HIS 46 HD2 HIS 46 11.592 -4.579 -12.842 345 HE1 HIS 46 HE1 HIS 46 12.443 -8.528 -11.544 346 H VAL 47 H VAL 47 6.094 -4.839 -10.307 347 HA VAL 47 HA VAL 47 5.958 -2.005 -10.868 348 HB VAL 47 HB VAL 47 3.653 -2.031 -11.685 349 HG11 VAL 47 HG11 VAL 47 4.093 -2.750 -13.937 350 HG12 VAL 47 HG12 VAL 47 5.567 -2.045 -13.269 351 HG13 VAL 47 HG13 VAL 47 5.403 -3.797 -13.392 352 HG21 VAL 47 HG21 VAL 47 2.506 -4.037 -12.279 353 HG22 VAL 47 HG22 VAL 47 3.926 -5.023 -11.928 354 HG23 VAL 47 HG23 VAL 47 3.064 -4.220 -10.616 355 H GLU 48 H GLU 48 4.851 -0.865 -9.316 356 HA GLU 48 HA GLU 48 4.202 -2.339 -6.904 357 HB2 GLU 48 HB2 GLU 48 5.562 -0.220 -6.905 358 HB3 GLU 48 HB3 GLU 48 4.098 0.646 -7.349 359 HG2 GLU 48 HG2 GLU 48 3.035 0.001 -5.288 360 HG3 GLU 48 HG3 GLU 48 4.415 -1.005 -4.854 361 H PHE 49 H PHE 49 2.228 -1.855 -5.681 362 HA PHE 49 HA PHE 49 -0.032 -0.729 -7.037 363 HB2 PHE 49 HB2 PHE 49 -1.376 -2.769 -7.155 364 HB3 PHE 49 HB3 PHE 49 0.075 -2.929 -8.139 365 HD1 PHE 49 HD1 PHE 49 1.952 -4.331 -7.350 366 HD2 PHE 49 HD2 PHE 49 -1.777 -4.189 -5.303 367 HE1 PHE 49 HE1 PHE 49 2.526 -6.410 -6.167 368 HE2 PHE 49 HE2 PHE 49 -1.208 -6.267 -4.116 369 HZ PHE 49 HZ PHE 49 0.945 -7.382 -4.548 370 H GLU 50 H GLU 50 -1.414 0.054 -5.574 371 HA GLU 50 HA GLU 50 -1.002 -0.675 -2.774 372 HB2 GLU 50 HB2 GLU 50 -1.600 1.751 -4.146 373 HB3 GLU 50 HB3 GLU 50 -2.935 1.398 -3.057 374 HG2 GLU 50 HG2 GLU 50 -0.730 0.911 -1.497 375 HG3 GLU 50 HG3 GLU 50 -0.230 2.291 -2.474 376 H VAL 51 H VAL 51 -2.140 -2.486 -2.329 377 HA VAL 51 HA VAL 51 -4.621 -3.194 -3.435 378 HB VAL 51 HB VAL 51 -4.800 -4.821 -1.599 379 HG11 VAL 51 HG11 VAL 51 -3.318 -6.157 -2.606 380 HG12 VAL 51 HG12 VAL 51 -2.922 -4.754 -3.601 381 HG13 VAL 51 HG13 VAL 51 -1.957 -5.123 -2.171 382 HG21 VAL 51 HG21 VAL 51 -2.851 -4.920 0.018 383 HG22 VAL 51 HG22 VAL 51 -2.476 -3.271 -0.482 384 HG23 VAL 51 HG23 VAL 51 -4.022 -3.629 0.286 385 H GLU 52 H GLU 52 -6.585 -2.401 -3.108 386 HA GLU 52 HA GLU 52 -7.075 -0.828 -0.669 387 HB2 GLU 52 HB2 GLU 52 -7.671 -0.366 -3.457 388 HB3 GLU 52 HB3 GLU 52 -9.147 -0.345 -2.502 389 HG2 GLU 52 HG2 GLU 52 -7.660 1.199 -0.940 390 HG3 GLU 52 HG3 GLU 52 -6.835 1.503 -2.468 391 HA PRO 53 HA PRO 53 -10.169 -3.604 0.730 392 HB2 PRO 53 HB2 PRO 53 -12.028 -1.914 1.759 393 HB3 PRO 53 HB3 PRO 53 -10.465 -2.207 2.530 394 HG2 PRO 53 HG2 PRO 53 -11.320 0.072 0.786 395 HG3 PRO 53 HG3 PRO 53 -10.369 0.104 2.283 396 HD2 PRO 53 HD2 PRO 53 -9.234 0.283 -0.169 397 HD3 PRO 53 HD3 PRO 53 -8.420 -0.492 1.205 398 H GLY 54 H GLY 54 -12.548 -1.145 0.173 399 HA2 GLY 54 HA2 GLY 54 -14.022 -2.931 -1.566 400 HA3 GLY 54 HA3 GLY 54 -14.578 -1.386 -0.939 401 H ARG 55 H ARG 55 -12.012 -2.585 -3.111 402 HA ARG 55 HA ARG 55 -12.871 -0.572 -5.074 403 HB2 ARG 55 HB2 ARG 55 -10.704 -0.055 -3.693 404 HB3 ARG 55 HB3 ARG 55 -9.967 -1.235 -4.769 405 HG2 ARG 55 HG2 ARG 55 -9.614 0.994 -5.615 406 HG3 ARG 55 HG3 ARG 55 -10.683 0.103 -6.700 407 HD2 ARG 55 HD2 ARG 55 -12.607 1.238 -5.842 408 HD3 ARG 55 HD3 ARG 55 -11.656 1.987 -4.561 409 HE ARG 55 HE ARG 55 -11.071 3.620 -6.037 410 HH11 ARG 55 HH11 ARG 55 -12.083 0.816 -7.834 411 HH12 ARG 55 HH12 ARG 55 -11.968 1.601 -9.375 412 HH21 ARG 55 HH21 ARG 55 -10.915 4.664 -8.059 413 HH22 ARG 55 HH22 ARG 55 -11.303 3.789 -9.501 414 H GLY 56 H GLY 56 -11.171 -3.604 -4.450 415 HA2 GLY 56 HA2 GLY 56 -11.389 -4.293 -7.301 416 HA3 GLY 56 HA3 GLY 56 -10.349 -5.095 -6.133 417 H GLY 57 H GLY 57 -12.401 -6.152 -8.019 418 HA2 GLY 57 HA2 GLY 57 -14.759 -6.939 -6.852 419 HA3 GLY 57 HA3 GLY 57 -13.856 -7.933 -7.986 420 H LYS 58 H LYS 58 -11.680 -8.728 -6.677 421 HA LYS 58 HA LYS 58 -12.738 -10.609 -4.787 422 HB2 LYS 58 HB2 LYS 58 -9.876 -10.091 -5.620 423 HB3 LYS 58 HB3 LYS 58 -10.441 -11.482 -4.703 424 HG2 LYS 58 HG2 LYS 58 -11.219 -10.786 -7.529 425 HG3 LYS 58 HG3 LYS 58 -10.097 -12.056 -7.034 426 HD2 LYS 58 HD2 LYS 58 -13.013 -11.927 -6.268 427 HD3 LYS 58 HD3 LYS 58 -12.353 -12.916 -7.573 428 HE2 LYS 58 HE2 LYS 58 -10.879 -14.013 -5.869 429 HE3 LYS 58 HE3 LYS 58 -11.771 -13.140 -4.624 430 HZ1 LYS 58 HZ1 LYS 58 -13.330 -14.686 -6.546 431 HZ2 LYS 58 HZ2 LYS 58 -13.596 -14.428 -4.896 432 HZ3 LYS 58 HZ3 LYS 58 -12.443 -15.559 -5.399 433 H GLY 59 H GLY 59 -11.598 -7.461 -4.535 434 HA2 GLY 59 HA2 GLY 59 -11.962 -6.567 -2.216 435 HA3 GLY 59 HA3 GLY 59 -10.897 -7.863 -1.693 436 HA PRO 60 HA PRO 60 -7.390 -5.284 -2.153 437 HB2 PRO 60 HB2 PRO 60 -5.512 -6.996 -3.107 438 HB3 PRO 60 HB3 PRO 60 -6.107 -7.053 -1.443 439 HG2 PRO 60 HG2 PRO 60 -6.891 -8.734 -3.793 440 HG3 PRO 60 HG3 PRO 60 -6.583 -9.227 -2.118 441 HD2 PRO 60 HD2 PRO 60 -9.083 -8.893 -3.102 442 HD3 PRO 60 HD3 PRO 60 -8.673 -8.565 -1.406 443 H GLN 61 H GLN 61 -7.442 -3.726 -3.662 444 HA GLN 61 HA GLN 61 -7.093 -4.507 -6.481 445 HB2 GLN 61 HB2 GLN 61 -9.190 -3.145 -5.507 446 HB3 GLN 61 HB3 GLN 61 -8.101 -1.797 -5.809 447 HG2 GLN 61 HG2 GLN 61 -7.845 -3.034 -8.144 448 HG3 GLN 61 HG3 GLN 61 -9.453 -3.614 -7.714 449 HE21 GLN 61 HE21 GLN 61 -7.700 -0.539 -7.411 450 HE22 GLN 61 HE22 GLN 61 -8.940 0.433 -8.119 451 H ALA 62 H ALA 62 -5.936 -2.891 -7.829 452 HA ALA 62 HA ALA 62 -3.536 -2.019 -6.431 453 HB1 ALA 62 HB1 ALA 62 -2.490 -1.905 -8.537 454 HB2 ALA 62 HB2 ALA 62 -3.516 -3.339 -8.598 455 HB3 ALA 62 HB3 ALA 62 -4.033 -1.851 -9.390 456 H LYS 63 H LYS 63 -5.300 -0.398 -5.473 457 HA LYS 63 HA LYS 63 -6.304 1.773 -6.752 458 HB2 LYS 63 HB2 LYS 63 -6.734 1.647 -4.454 459 HB3 LYS 63 HB3 LYS 63 -5.030 1.503 -4.046 460 HG2 LYS 63 HG2 LYS 63 -5.981 3.680 -3.422 461 HG3 LYS 63 HG3 LYS 63 -4.658 3.823 -4.582 462 HD2 LYS 63 HD2 LYS 63 -6.478 5.312 -5.190 463 HD3 LYS 63 HD3 LYS 63 -6.299 4.040 -6.401 464 HE2 LYS 63 HE2 LYS 63 -8.201 2.885 -5.600 465 HE3 LYS 63 HE3 LYS 63 -8.260 3.852 -4.127 466 HZ1 LYS 63 HZ1 LYS 63 -8.435 5.650 -6.203 467 HZ2 LYS 63 HZ2 LYS 63 -9.688 5.158 -5.180 468 HZ3 LYS 63 HZ3 LYS 63 -9.442 4.368 -6.655 469 H LYS 64 H LYS 64 -2.981 1.527 -5.494 470 HA LYS 64 HA LYS 64 -2.223 3.684 -7.356 471 HB2 LYS 64 HB2 LYS 64 -2.041 3.770 -4.612 472 HB3 LYS 64 HB3 LYS 64 -0.427 3.251 -5.079 473 HG2 LYS 64 HG2 LYS 64 0.120 5.282 -5.795 474 HG3 LYS 64 HG3 LYS 64 -1.378 5.447 -6.714 475 HD2 LYS 64 HD2 LYS 64 -1.160 5.839 -3.731 476 HD3 LYS 64 HD3 LYS 64 -1.093 7.149 -4.913 477 HE2 LYS 64 HE2 LYS 64 -3.314 7.054 -5.338 478 HE3 LYS 64 HE3 LYS 64 -3.384 5.303 -5.149 479 HZ1 LYS 64 HZ1 LYS 64 -3.986 7.339 -3.258 480 HZ2 LYS 64 HZ2 LYS 64 -2.818 6.281 -2.645 481 HZ3 LYS 64 HZ3 LYS 64 -4.305 5.680 -3.182 482 H VAL 65 H VAL 65 -1.395 2.572 -9.043 483 HA VAL 65 HA VAL 65 0.570 0.457 -8.496 484 HB VAL 65 HB VAL 65 -1.464 0.795 -10.516 485 HG11 VAL 65 HG11 VAL 65 -0.119 0.015 -12.442 486 HG12 VAL 65 HG12 VAL 65 0.293 1.653 -11.931 487 HG13 VAL 65 HG13 VAL 65 1.344 0.303 -11.501 488 HG21 VAL 65 HG21 VAL 65 -0.736 -1.189 -8.969 489 HG22 VAL 65 HG22 VAL 65 -1.412 -1.504 -10.567 490 HG23 VAL 65 HG23 VAL 65 0.332 -1.579 -10.317 491 H ARG 66 H ARG 66 2.625 0.512 -9.366 492 HA ARG 66 HA ARG 66 3.415 2.971 -10.769 493 HB2 ARG 66 HB2 ARG 66 5.138 1.709 -8.646 494 HB3 ARG 66 HB3 ARG 66 5.315 3.290 -9.394 495 HG2 ARG 66 HG2 ARG 66 3.182 3.968 -8.299 496 HG3 ARG 66 HG3 ARG 66 3.196 2.426 -7.441 497 HD2 ARG 66 HD2 ARG 66 5.240 2.983 -6.335 498 HD3 ARG 66 HD3 ARG 66 5.451 4.420 -7.335 499 HE ARG 66 HE ARG 66 3.019 4.455 -5.821 500 HH11 ARG 66 HH11 ARG 66 6.436 5.111 -5.719 501 HH12 ARG 66 HH12 ARG 66 6.307 6.275 -4.442 502 HH21 ARG 66 HH21 ARG 66 2.836 5.986 -4.140 503 HH22 ARG 66 HH22 ARG 66 4.259 6.771 -3.544 504 H ARG 67 H ARG 67 5.322 2.784 -12.064 505 HA ARG 67 HA ARG 67 5.654 0.094 -13.134 506 HB2 ARG 67 HB2 ARG 67 6.714 1.152 -15.026 507 HB3 ARG 67 HB3 ARG 67 5.227 2.014 -14.653 508 HG2 ARG 67 HG2 ARG 67 6.548 3.729 -13.477 509 HG3 ARG 67 HG3 ARG 67 8.022 2.878 -13.942 510 HD2 ARG 67 HD2 ARG 67 5.986 4.099 -15.803 511 HD3 ARG 67 HD3 ARG 67 7.598 4.724 -15.458 512 HE ARG 67 HE ARG 67 7.995 2.172 -16.385 513 HH11 ARG 67 HH11 ARG 67 6.484 5.067 -17.591 514 HH12 ARG 67 HH12 ARG 67 6.823 4.709 -19.252 515 HH21 ARG 67 HH21 ARG 67 8.447 1.689 -18.567 516 HH22 ARG 67 HH22 ARG 67 7.939 2.786 -19.806 517 H ILE 68 H ILE 68 7.433 -1.120 -12.900 518 HA ILE 68 HA ILE 68 9.894 0.124 -11.906 519 HB ILE 68 HB ILE 68 8.636 -2.330 -10.673 520 HG12 ILE 68 HG12 ILE 68 7.948 0.226 -10.145 521 HG13 ILE 68 HG13 ILE 68 7.936 -1.047 -8.930 522 HG21 ILE 68 HG21 ILE 68 10.991 -2.640 -10.705 523 HG22 ILE 68 HG22 ILE 68 11.281 -0.977 -10.199 524 HG23 ILE 68 HG23 ILE 68 10.563 -2.128 -9.072 525 HD11 ILE 68 HD11 ILE 68 10.297 0.745 -9.409 526 HD12 ILE 68 HD12 ILE 68 9.022 1.100 -8.244 527 HD13 ILE 68 HD13 ILE 68 10.016 -0.343 -8.050 Start of MODEL 12 1 H1 MET 1 H MET 1 1.587 1.103 0.467 2 HA MET 1 HA MET 1 1.199 -0.209 -1.914 3 HB2 MET 1 HB2 MET 1 3.101 1.091 -2.791 4 HB3 MET 1 HB3 MET 1 2.025 2.075 -1.808 5 HG2 MET 1 HG2 MET 1 3.838 2.759 -0.735 6 HG3 MET 1 HG3 MET 1 3.884 1.161 0.005 7 HE1 MET 1 HE1 MET 1 6.596 2.191 0.236 8 HE2 MET 1 HE2 MET 1 7.572 2.452 -1.210 9 HE3 MET 1 HE3 MET 1 6.192 3.499 -0.876 10 H LYS 2 H LYS 2 1.872 -2.081 -2.710 11 HA LYS 2 HA LYS 2 4.268 -3.327 -1.541 12 HB2 LYS 2 HB2 LYS 2 1.890 -4.577 -2.927 13 HB3 LYS 2 HB3 LYS 2 3.310 -5.468 -2.394 14 HG2 LYS 2 HG2 LYS 2 1.411 -3.944 -0.621 15 HG3 LYS 2 HG3 LYS 2 1.483 -5.697 -0.812 16 HD2 LYS 2 HD2 LYS 2 3.985 -5.371 -0.121 17 HD3 LYS 2 HD3 LYS 2 3.393 -3.853 0.558 18 HE2 LYS 2 HE2 LYS 2 1.943 -6.389 1.164 19 HE3 LYS 2 HE3 LYS 2 3.453 -6.040 2.005 20 HZ1 LYS 2 HZ1 LYS 2 2.353 -3.781 2.474 21 HZ2 LYS 2 HZ2 LYS 2 1.859 -5.122 3.378 22 HZ3 LYS 2 HZ3 LYS 2 0.902 -4.566 2.098 23 H LYS 3 H LYS 3 5.334 -4.923 -3.139 24 HA LYS 3 HA LYS 3 5.365 -3.861 -5.868 25 HB2 LYS 3 HB2 LYS 3 7.898 -4.351 -4.300 26 HB3 LYS 3 HB3 LYS 3 7.761 -3.670 -5.915 27 HG2 LYS 3 HG2 LYS 3 6.950 -1.636 -5.123 28 HG3 LYS 3 HG3 LYS 3 6.506 -2.318 -3.556 29 HD2 LYS 3 HD2 LYS 3 9.022 -2.751 -3.260 30 HD3 LYS 3 HD3 LYS 3 9.233 -1.626 -4.604 31 HE2 LYS 3 HE2 LYS 3 7.401 -0.561 -2.652 32 HE3 LYS 3 HE3 LYS 3 8.929 -1.005 -1.894 33 HZ1 LYS 3 HZ1 LYS 3 9.187 0.416 -4.397 34 HZ2 LYS 3 HZ2 LYS 3 10.014 0.634 -2.938 35 HZ3 LYS 3 HZ3 LYS 3 8.481 1.318 -3.152 36 H GLY 4 H GLY 4 5.384 -5.429 -7.351 37 HA2 GLY 4 HA2 GLY 4 6.787 -7.906 -6.949 38 HA3 GLY 4 HA3 GLY 4 5.042 -8.091 -6.846 39 H THR 5 H THR 5 6.216 -9.510 -8.749 40 HA THR 5 HA THR 5 6.412 -8.088 -11.240 41 HB THR 5 HB THR 5 6.456 -10.463 -12.204 42 HG1 THR 5 HG1 THR 5 5.747 -11.846 -10.735 43 HG21 THR 5 HG21 THR 5 8.496 -9.233 -11.930 44 HG22 THR 5 HG22 THR 5 8.766 -10.868 -11.328 45 HG23 THR 5 HG23 THR 5 8.509 -9.543 -10.195 46 H VAL 6 H VAL 6 5.074 -8.557 -13.116 47 HA VAL 6 HA VAL 6 2.257 -8.833 -12.353 48 HB VAL 6 HB VAL 6 2.975 -6.804 -13.618 49 HG11 VAL 6 HG11 VAL 6 4.060 -6.887 -15.574 50 HG12 VAL 6 HG12 VAL 6 4.416 -8.561 -15.146 51 HG13 VAL 6 HG13 VAL 6 3.043 -8.189 -16.189 52 HG21 VAL 6 HG21 VAL 6 0.653 -7.597 -13.644 53 HG22 VAL 6 HG22 VAL 6 1.097 -6.823 -15.165 54 HG23 VAL 6 HG23 VAL 6 1.011 -8.582 -15.063 55 H LYS 7 H LYS 7 0.996 -10.457 -13.061 56 HA LYS 7 HA LYS 7 2.257 -12.700 -14.359 57 HB2 LYS 7 HB2 LYS 7 0.079 -12.337 -12.616 58 HB3 LYS 7 HB3 LYS 7 -0.605 -12.965 -14.110 59 HG2 LYS 7 HG2 LYS 7 0.304 -14.996 -13.825 60 HG3 LYS 7 HG3 LYS 7 1.812 -14.346 -13.176 61 HD2 LYS 7 HD2 LYS 7 0.814 -15.523 -11.394 62 HD3 LYS 7 HD3 LYS 7 0.501 -13.817 -11.064 63 HE2 LYS 7 HE2 LYS 7 -1.746 -13.992 -11.664 64 HE3 LYS 7 HE3 LYS 7 -1.488 -15.489 -12.558 65 HZ1 LYS 7 HZ1 LYS 7 -1.072 -16.619 -10.454 66 HZ2 LYS 7 HZ2 LYS 7 -2.610 -15.914 -10.473 67 HZ3 LYS 7 HZ3 LYS 7 -1.355 -15.182 -9.607 68 H TRP 8 H TRP 8 -0.111 -10.237 -15.185 69 HA TRP 8 HA TRP 8 0.388 -10.399 -17.941 70 HB2 TRP 8 HB2 TRP 8 -1.802 -11.328 -18.693 71 HB3 TRP 8 HB3 TRP 8 -0.774 -12.515 -17.895 72 HD1 TRP 8 HD1 TRP 8 -3.708 -10.165 -16.903 73 HE1 TRP 8 HE1 TRP 8 -5.172 -11.415 -15.194 74 HE3 TRP 8 HE3 TRP 8 -0.967 -14.459 -16.474 75 HZ2 TRP 8 HZ2 TRP 8 -5.165 -13.893 -13.843 76 HZ3 TRP 8 HZ3 TRP 8 -1.764 -16.220 -14.952 77 HH2 TRP 8 HH2 TRP 8 -3.820 -15.941 -13.664 78 H PHE 9 H PHE 9 -0.605 -8.742 -19.079 79 HA PHE 9 HA PHE 9 -2.555 -7.103 -17.621 80 HB2 PHE 9 HB2 PHE 9 -0.235 -6.180 -17.337 81 HB3 PHE 9 HB3 PHE 9 -0.173 -5.949 -19.081 82 HD1 PHE 9 HD1 PHE 9 -1.577 -4.271 -20.164 83 HD2 PHE 9 HD2 PHE 9 -1.529 -4.738 -15.934 84 HE1 PHE 9 HE1 PHE 9 -2.651 -2.071 -19.913 85 HE2 PHE 9 HE2 PHE 9 -2.604 -2.540 -15.675 86 HZ PHE 9 HZ PHE 9 -3.167 -1.204 -17.666 87 H ASN 10 H ASN 10 -4.278 -7.486 -18.913 88 HA ASN 10 HA ASN 10 -4.060 -7.571 -21.776 89 HB2 ASN 10 HB2 ASN 10 -5.765 -8.785 -20.199 90 HB3 ASN 10 HB3 ASN 10 -6.675 -7.283 -20.337 91 HD21 ASN 10 HD21 ASN 10 -8.336 -7.858 -21.584 92 HD22 ASN 10 HD22 ASN 10 -8.199 -8.535 -23.168 93 H ALA 11 H ALA 11 -3.634 -5.734 -22.827 94 HA ALA 11 HA ALA 11 -4.505 -3.169 -21.882 95 HB1 ALA 11 HB1 ALA 11 -3.302 -3.846 -24.560 96 HB2 ALA 11 HB2 ALA 11 -3.365 -2.263 -23.785 97 HB3 ALA 11 HB3 ALA 11 -2.366 -3.543 -23.096 98 H GLU 12 H GLU 12 -5.776 -5.583 -23.983 99 HA GLU 12 HA GLU 12 -7.410 -3.962 -25.620 100 HB2 GLU 12 HB2 GLU 12 -7.312 -6.852 -24.906 101 HB3 GLU 12 HB3 GLU 12 -8.788 -6.240 -25.638 102 HG2 GLU 12 HG2 GLU 12 -7.727 -5.691 -27.627 103 HG3 GLU 12 HG3 GLU 12 -6.128 -5.694 -26.887 104 H LYS 13 H LYS 13 -7.778 -5.217 -22.391 105 HA LYS 13 HA LYS 13 -10.515 -4.141 -22.279 106 HB2 LYS 13 HB2 LYS 13 -9.116 -6.276 -20.684 107 HB3 LYS 13 HB3 LYS 13 -10.589 -5.511 -20.101 108 HG2 LYS 13 HG2 LYS 13 -10.306 -6.997 -22.706 109 HG3 LYS 13 HG3 LYS 13 -11.034 -7.634 -21.229 110 HD2 LYS 13 HD2 LYS 13 -12.492 -5.426 -21.450 111 HD3 LYS 13 HD3 LYS 13 -12.072 -5.620 -23.154 112 HE2 LYS 13 HE2 LYS 13 -12.806 -8.113 -22.685 113 HE3 LYS 13 HE3 LYS 13 -13.725 -7.355 -21.386 114 HZ1 LYS 13 HZ1 LYS 13 -14.092 -5.861 -23.728 115 HZ2 LYS 13 HZ2 LYS 13 -15.241 -6.746 -22.858 116 HZ3 LYS 13 HZ3 LYS 13 -14.367 -7.488 -24.101 117 H GLY 14 H GLY 14 -7.384 -4.175 -20.640 118 HA2 GLY 14 HA2 GLY 14 -6.483 -2.181 -19.671 119 HA3 GLY 14 HA3 GLY 14 -8.124 -1.629 -19.369 120 H TYR 15 H TYR 15 -6.681 -4.776 -18.622 121 HA TYR 15 HA TYR 15 -6.792 -4.139 -15.767 122 HB2 TYR 15 HB2 TYR 15 -8.121 -5.993 -15.191 123 HB3 TYR 15 HB3 TYR 15 -8.935 -5.292 -16.585 124 HD1 TYR 15 HD2 TYR 15 -6.943 -8.125 -15.373 125 HD2 TYR 15 HD1 TYR 15 -9.011 -6.463 -18.700 126 HE1 TYR 15 HE2 TYR 15 -6.842 -10.301 -16.515 127 HE2 TYR 15 HE1 TYR 15 -8.916 -8.635 -19.851 128 HH TYR 15 HH TYR 15 -7.459 -10.695 -19.776 129 H GLY 16 H GLY 16 -5.879 -6.099 -14.483 130 HA2 GLY 16 HA2 GLY 16 -4.087 -7.882 -15.748 131 HA3 GLY 16 HA3 GLY 16 -3.211 -6.456 -15.212 132 H PHE 17 H PHE 17 -2.456 -8.804 -14.166 133 HA PHE 17 HA PHE 17 -3.458 -8.635 -11.407 134 HB2 PHE 17 HB2 PHE 17 -3.160 -11.042 -13.145 135 HB3 PHE 17 HB3 PHE 17 -2.807 -11.207 -11.428 136 HD1 PHE 17 HD1 PHE 17 -5.434 -10.041 -13.782 137 HD2 PHE 17 HD2 PHE 17 -4.525 -11.561 -9.911 138 HE1 PHE 17 HE1 PHE 17 -7.837 -10.287 -13.318 139 HE2 PHE 17 HE2 PHE 17 -6.927 -11.810 -9.441 140 HZ PHE 17 HZ PHE 17 -8.587 -11.173 -11.146 141 H ILE 18 H ILE 18 -1.929 -8.528 -9.865 142 HA ILE 18 HA ILE 18 0.870 -8.905 -10.708 143 HB ILE 18 HB ILE 18 -0.197 -7.005 -8.616 144 HG12 ILE 18 HG12 ILE 18 1.241 -6.210 -11.127 145 HG13 ILE 18 HG13 ILE 18 -0.488 -6.533 -11.169 146 HG21 ILE 18 HG21 ILE 18 2.609 -7.552 -9.566 147 HG22 ILE 18 HG22 ILE 18 2.148 -6.167 -8.578 148 HG23 ILE 18 HG23 ILE 18 1.959 -7.802 -7.946 149 HD11 ILE 18 HD11 ILE 18 -0.589 -4.323 -10.758 150 HD12 ILE 18 HD12 ILE 18 -0.408 -4.860 -9.087 151 HD13 ILE 18 HD13 ILE 18 0.996 -4.281 -9.985 152 H GLN 19 H GLN 19 2.322 -9.842 -9.239 153 HA GLN 19 HA GLN 19 1.056 -11.259 -6.987 154 HB2 GLN 19 HB2 GLN 19 2.702 -13.080 -7.380 155 HB3 GLN 19 HB3 GLN 19 1.579 -12.856 -8.714 156 HG2 GLN 19 HG2 GLN 19 4.048 -11.316 -8.971 157 HG3 GLN 19 HG3 GLN 19 4.284 -13.063 -8.943 158 HE21 GLN 19 HE21 GLN 19 1.549 -11.236 -10.210 159 HE22 GLN 19 HE22 GLN 19 1.732 -11.751 -11.849 160 H GLN 20 H GLN 20 1.924 -10.940 -5.041 161 HA GLN 20 HA GLN 20 4.669 -9.897 -4.878 162 HB2 GLN 20 HB2 GLN 20 2.689 -8.209 -4.531 163 HB3 GLN 20 HB3 GLN 20 2.582 -8.964 -2.946 164 HG2 GLN 20 HG2 GLN 20 5.304 -8.248 -3.618 165 HG3 GLN 20 HG3 GLN 20 4.219 -6.860 -3.676 166 HE21 GLN 20 HE21 GLN 20 2.432 -7.486 -1.700 167 HE22 GLN 20 HE22 GLN 20 3.236 -7.497 -0.171 168 H GLU 21 H GLU 21 5.401 -9.954 -2.466 169 HA GLU 21 HA GLU 21 5.331 -12.681 -1.661 170 HB2 GLU 21 HB2 GLU 21 6.949 -12.118 -0.088 171 HB3 GLU 21 HB3 GLU 21 7.210 -10.924 -1.351 172 HG2 GLU 21 HG2 GLU 21 5.408 -9.653 0.246 173 HG3 GLU 21 HG3 GLU 21 6.345 -10.578 1.417 174 H GLU 22 H GLU 22 3.319 -10.022 -1.020 175 HA GLU 22 HA GLU 22 1.933 -11.561 1.055 176 HB2 GLU 22 HB2 GLU 22 2.452 -8.589 1.243 177 HB3 GLU 22 HB3 GLU 22 1.571 -9.571 2.405 178 HG2 GLU 22 HG2 GLU 22 3.891 -10.899 2.391 179 HG3 GLU 22 HG3 GLU 22 4.475 -9.290 1.970 180 H GLY 23 H GLY 23 0.599 -12.068 -0.840 181 HA2 GLY 23 HA2 GLY 23 -1.778 -11.584 -1.241 182 HA3 GLY 23 HA3 GLY 23 -1.326 -9.892 -1.380 183 HA PRO 24 HA PRO 24 0.323 -12.114 -5.360 184 HB2 PRO 24 HB2 PRO 24 -0.610 -14.626 -5.792 185 HB3 PRO 24 HB3 PRO 24 0.884 -14.296 -4.909 186 HG2 PRO 24 HG2 PRO 24 -1.845 -14.916 -3.848 187 HG3 PRO 24 HG3 PRO 24 -0.270 -15.525 -3.307 188 HD2 PRO 24 HD2 PRO 24 -1.583 -13.536 -2.022 189 HD3 PRO 24 HD3 PRO 24 0.189 -13.621 -2.092 190 H ASP 25 H ASP 25 -0.716 -12.544 -7.456 191 HA ASP 25 HA ASP 25 -2.327 -11.824 -8.930 192 HB2 ASP 25 HB2 ASP 25 -4.413 -13.207 -8.765 193 HB3 ASP 25 HB3 ASP 25 -2.921 -14.142 -8.725 194 H VAL 26 H VAL 26 -2.414 -9.636 -8.153 195 HA VAL 26 HA VAL 26 -4.709 -9.007 -6.434 196 HB VAL 26 HB VAL 26 -2.289 -8.069 -6.084 197 HG11 VAL 26 HG11 VAL 26 -3.213 -5.790 -7.737 198 HG12 VAL 26 HG12 VAL 26 -1.575 -6.332 -7.364 199 HG13 VAL 26 HG13 VAL 26 -2.530 -7.179 -8.582 200 HG21 VAL 26 HG21 VAL 26 -4.136 -7.440 -4.689 201 HG22 VAL 26 HG22 VAL 26 -3.269 -5.976 -5.154 202 HG23 VAL 26 HG23 VAL 26 -4.790 -6.390 -5.946 203 H PHE 27 H PHE 27 -6.228 -7.417 -7.046 204 HA PHE 27 HA PHE 27 -6.856 -7.443 -9.848 205 HB2 PHE 27 HB2 PHE 27 -8.409 -7.373 -7.666 206 HB3 PHE 27 HB3 PHE 27 -8.329 -5.645 -7.995 207 HD1 PHE 27 HD1 PHE 27 -9.440 -8.900 -9.269 208 HD2 PHE 27 HD2 PHE 27 -9.415 -4.691 -9.901 209 HE1 PHE 27 HE1 PHE 27 -11.196 -9.149 -10.974 210 HE2 PHE 27 HE2 PHE 27 -11.172 -4.933 -11.606 211 HZ PHE 27 HZ PHE 27 -12.064 -7.165 -12.146 212 H VAL 28 H VAL 28 -5.958 -6.109 -11.262 213 HA VAL 28 HA VAL 28 -5.456 -3.323 -10.450 214 HB VAL 28 HB VAL 28 -3.320 -3.317 -11.153 215 HG11 VAL 28 HG11 VAL 28 -3.310 -5.186 -9.628 216 HG12 VAL 28 HG12 VAL 28 -3.748 -6.294 -10.930 217 HG13 VAL 28 HG13 VAL 28 -2.173 -5.499 -10.939 218 HG21 VAL 28 HG21 VAL 28 -3.754 -3.470 -13.474 219 HG22 VAL 28 HG22 VAL 28 -2.526 -4.687 -13.125 220 HG23 VAL 28 HG23 VAL 28 -4.206 -5.171 -13.352 221 H HIS 29 H HIS 29 -5.879 -1.749 -11.966 222 HA HIS 29 HA HIS 29 -6.734 -2.553 -14.637 223 HB2 HIS 29 HB2 HIS 29 -8.515 -1.491 -12.518 224 HB3 HIS 29 HB3 HIS 29 -8.717 -0.802 -14.126 225 HD1 HIS 29 HD1 HIS 29 -10.258 -2.046 -15.605 226 HD2 HIS 29 HD2 HIS 29 -8.689 -4.471 -12.618 227 HE1 HIS 29 HE1 HIS 29 -11.398 -4.271 -15.877 228 H PHE 30 H PHE 30 -7.028 -0.691 -16.089 229 HA PHE 30 HA PHE 30 -4.870 1.085 -15.955 230 HB2 PHE 30 HB2 PHE 30 -5.700 2.045 -17.951 231 HB3 PHE 30 HB3 PHE 30 -6.190 0.355 -18.014 232 HD1 PHE 30 HD2 PHE 30 -8.558 -0.239 -17.396 233 HD2 PHE 30 HD1 PHE 30 -7.279 3.768 -18.051 234 HE1 PHE 30 HE2 PHE 30 -10.897 0.451 -17.723 235 HE2 PHE 30 HE1 PHE 30 -9.616 4.464 -18.378 236 HZ PHE 30 HZ PHE 30 -11.429 2.805 -18.213 237 H THR 31 H THR 31 -7.947 1.218 -14.484 238 HA THR 31 HA THR 31 -7.990 4.097 -14.184 239 HB THR 31 HB THR 31 -9.897 3.334 -12.475 240 HG1 THR 31 HG1 THR 31 -9.227 1.053 -12.984 241 HG21 THR 31 HG21 THR 31 -9.911 4.514 -14.849 242 HG22 THR 31 HG22 THR 31 -11.397 3.928 -14.101 243 HG23 THR 31 HG23 THR 31 -10.597 2.967 -15.344 244 H ALA 32 H ALA 32 -6.137 1.816 -12.832 245 HA ALA 32 HA ALA 32 -6.066 3.183 -10.220 246 HB1 ALA 32 HB1 ALA 32 -5.915 1.237 -9.102 247 HB2 ALA 32 HB2 ALA 32 -6.680 0.573 -10.547 248 HB3 ALA 32 HB3 ALA 32 -4.931 0.473 -10.351 249 H ILE 33 H ILE 33 -4.242 1.811 -12.879 250 HA ILE 33 HA ILE 33 -1.657 1.950 -11.919 251 HB ILE 33 HB ILE 33 -2.688 2.505 -14.699 252 HG12 ILE 33 HG12 ILE 33 -1.100 0.098 -13.965 253 HG13 ILE 33 HG13 ILE 33 -2.757 0.179 -13.377 254 HG21 ILE 33 HG21 ILE 33 -0.588 3.594 -14.600 255 HG22 ILE 33 HG22 ILE 33 0.138 2.264 -13.698 256 HG23 ILE 33 HG23 ILE 33 -0.307 2.042 -15.390 257 HD11 ILE 33 HD11 ILE 33 -2.881 0.893 -16.074 258 HD12 ILE 33 HD12 ILE 33 -1.781 -0.483 -15.985 259 HD13 ILE 33 HD13 ILE 33 -3.413 -0.615 -15.330 260 H GLU 34 H GLU 34 -0.326 3.538 -11.331 261 HA GLU 34 HA GLU 34 -1.196 6.303 -11.760 262 HB2 GLU 34 HB2 GLU 34 0.893 5.200 -9.873 263 HB3 GLU 34 HB3 GLU 34 0.377 6.878 -9.963 264 HG2 GLU 34 HG2 GLU 34 -1.863 5.087 -9.589 265 HG3 GLU 34 HG3 GLU 34 -0.654 4.909 -8.318 266 H ALA 35 H ALA 35 -0.493 6.546 -13.903 267 HA ALA 35 HA ALA 35 2.413 6.886 -14.157 268 HB1 ALA 35 HB1 ALA 35 1.291 4.753 -15.278 269 HB2 ALA 35 HB2 ALA 35 0.957 5.925 -16.553 270 HB3 ALA 35 HB3 ALA 35 2.618 5.630 -16.040 271 H ASP 36 H ASP 36 2.977 8.233 -16.101 272 HA ASP 36 HA ASP 36 1.073 10.454 -16.283 273 HB2 ASP 36 HB2 ASP 36 4.029 10.214 -16.429 274 HB3 ASP 36 HB3 ASP 36 3.285 11.450 -17.440 275 H GLY 37 H GLY 37 -0.223 9.136 -17.802 276 HA2 GLY 37 HA2 GLY 37 -0.746 9.726 -20.171 277 HA3 GLY 37 HA3 GLY 37 0.907 9.251 -20.532 278 H PHE 38 H PHE 38 -0.036 7.790 -22.091 279 HA PHE 38 HA PHE 38 -1.443 5.485 -20.969 280 HB2 PHE 38 HB2 PHE 38 -2.134 6.732 -23.135 281 HB3 PHE 38 HB3 PHE 38 -0.802 5.855 -23.882 282 HD1 PHE 38 HD1 PHE 38 -3.538 4.997 -21.488 283 HD2 PHE 38 HD2 PHE 38 -1.492 4.048 -25.097 284 HE1 PHE 38 HE1 PHE 38 -5.005 3.047 -21.802 285 HE2 PHE 38 HE2 PHE 38 -2.957 2.097 -25.419 286 HZ PHE 38 HZ PHE 38 -4.715 1.594 -23.769 287 H ARG 39 H ARG 39 -0.190 3.927 -20.185 288 HA ARG 39 HA ARG 39 1.848 2.745 -21.853 289 HB2 ARG 39 HB2 ARG 39 2.715 4.718 -20.175 290 HB3 ARG 39 HB3 ARG 39 2.907 3.293 -19.163 291 HG2 ARG 39 HG2 ARG 39 4.039 3.560 -21.939 292 HG3 ARG 39 HG3 ARG 39 4.933 3.907 -20.457 293 HD2 ARG 39 HD2 ARG 39 3.603 1.257 -20.956 294 HD3 ARG 39 HD3 ARG 39 5.249 1.601 -21.488 295 HE ARG 39 HE ARG 39 4.813 2.156 -18.707 296 HH11 ARG 39 HH11 ARG 39 5.596 -0.312 -21.034 297 HH12 ARG 39 HH12 ARG 39 6.418 -1.317 -19.886 298 HH21 ARG 39 HH21 ARG 39 5.892 0.842 -17.187 299 HH22 ARG 39 HH22 ARG 39 6.585 -0.660 -17.698 300 H THR 40 H THR 40 1.218 0.693 -21.771 301 HA THR 40 HA THR 40 -0.071 -0.420 -19.448 302 HB THR 40 HB THR 40 -0.269 -2.469 -20.736 303 HG1 THR 40 HG1 THR 40 1.230 -1.194 -22.793 304 HG21 THR 40 HG21 THR 40 -1.481 -1.594 -22.716 305 HG22 THR 40 HG22 THR 40 -0.809 0.003 -22.385 306 HG23 THR 40 HG23 THR 40 -1.902 -0.752 -21.225 307 H LEU 41 H LEU 41 0.763 -2.901 -19.102 308 HA LEU 41 HA LEU 41 3.567 -2.606 -18.257 309 HB2 LEU 41 HB2 LEU 41 1.326 -4.269 -17.125 310 HB3 LEU 41 HB3 LEU 41 3.005 -4.409 -16.610 311 HG LEU 41 HG LEU 41 1.939 -3.094 -14.977 312 HD11 LEU 41 HD11 LEU 41 4.126 -2.241 -15.912 313 HD12 LEU 41 HD12 LEU 41 3.146 -1.069 -15.032 314 HD13 LEU 41 HD13 LEU 41 3.176 -1.045 -16.795 315 HD21 LEU 41 HD21 LEU 41 0.213 -2.371 -17.059 316 HD22 LEU 41 HD22 LEU 41 0.961 -0.870 -16.514 317 HD23 LEU 41 HD23 LEU 41 0.107 -1.899 -15.363 318 H ASN 42 H ASN 42 4.724 -4.773 -18.046 319 HA ASN 42 HA ASN 42 4.024 -6.515 -20.316 320 HB2 ASN 42 HB2 ASN 42 6.870 -5.970 -19.500 321 HB3 ASN 42 HB3 ASN 42 6.270 -6.639 -21.015 322 HD21 ASN 42 HD21 ASN 42 4.608 -5.046 -22.078 323 HD22 ASN 42 HD22 ASN 42 5.183 -3.424 -22.230 324 H GLU 43 H GLU 43 3.884 -8.618 -19.857 325 HA GLU 43 HA GLU 43 3.916 -9.633 -17.288 326 HB2 GLU 43 HB2 GLU 43 2.814 -10.785 -19.124 327 HB3 GLU 43 HB3 GLU 43 4.363 -11.096 -19.895 328 HG2 GLU 43 HG2 GLU 43 4.982 -12.405 -17.823 329 HG3 GLU 43 HG3 GLU 43 3.287 -12.281 -17.357 330 H GLY 44 H GLY 44 5.432 -10.368 -15.923 331 HA2 GLY 44 HA2 GLY 44 7.474 -11.446 -15.371 332 HA3 GLY 44 HA3 GLY 44 8.094 -11.028 -16.961 333 H GLU 45 H GLU 45 6.795 -8.247 -16.246 334 HA GLU 45 HA GLU 45 9.280 -7.157 -15.214 335 HB2 GLU 45 HB2 GLU 45 8.066 -6.134 -17.153 336 HB3 GLU 45 HB3 GLU 45 6.776 -5.686 -16.046 337 HG2 GLU 45 HG2 GLU 45 7.950 -3.989 -15.142 338 HG3 GLU 45 HG3 GLU 45 9.490 -4.834 -15.281 339 H HIS 46 H HIS 46 9.263 -5.529 -13.492 340 HA HIS 46 HA HIS 46 7.539 -6.397 -11.302 341 HB2 HIS 46 HB2 HIS 46 9.685 -4.366 -10.907 342 HB3 HIS 46 HB3 HIS 46 9.172 -5.678 -9.850 343 HD1 HIS 46 HD1 HIS 46 10.102 -8.079 -10.429 344 HD2 HIS 46 HD2 HIS 46 11.783 -4.957 -12.594 345 HE1 HIS 46 HE1 HIS 46 12.187 -9.027 -11.468 346 H VAL 47 H VAL 47 6.132 -5.081 -10.221 347 HA VAL 47 HA VAL 47 6.000 -2.250 -10.785 348 HB VAL 47 HB VAL 47 3.665 -2.280 -11.553 349 HG11 VAL 47 HG11 VAL 47 5.565 -2.220 -13.156 350 HG12 VAL 47 HG12 VAL 47 5.420 -3.970 -13.330 351 HG13 VAL 47 HG13 VAL 47 4.092 -2.920 -13.827 352 HG21 VAL 47 HG21 VAL 47 2.564 -4.304 -12.212 353 HG22 VAL 47 HG22 VAL 47 3.999 -5.262 -11.849 354 HG23 VAL 47 HG23 VAL 47 3.101 -4.488 -10.543 355 H GLU 48 H GLU 48 4.963 -1.110 -9.198 356 HA GLU 48 HA GLU 48 4.301 -2.592 -6.795 357 HB2 GLU 48 HB2 GLU 48 5.448 -0.783 -6.060 358 HB3 GLU 48 HB3 GLU 48 5.019 0.186 -7.463 359 HG2 GLU 48 HG2 GLU 48 2.833 0.635 -6.514 360 HG3 GLU 48 HG3 GLU 48 3.209 -0.385 -5.127 361 H PHE 49 H PHE 49 2.344 -2.225 -5.589 362 HA PHE 49 HA PHE 49 0.094 -0.990 -6.905 363 HB2 PHE 49 HB2 PHE 49 -1.281 -2.990 -7.040 364 HB3 PHE 49 HB3 PHE 49 0.184 -3.215 -7.990 365 HD1 PHE 49 HD1 PHE 49 2.034 -4.614 -7.068 366 HD2 PHE 49 HD2 PHE 49 -1.806 -4.414 -5.243 367 HE1 PHE 49 HE1 PHE 49 2.514 -6.690 -5.838 368 HE2 PHE 49 HE2 PHE 49 -1.332 -6.489 -4.009 369 HZ PHE 49 HZ PHE 49 0.831 -7.630 -4.305 370 H GLU 50 H GLU 50 -1.326 -0.238 -5.447 371 HA GLU 50 HA GLU 50 -0.897 -0.983 -2.645 372 HB2 GLU 50 HB2 GLU 50 -1.410 1.489 -3.993 373 HB3 GLU 50 HB3 GLU 50 -2.719 1.181 -2.859 374 HG2 GLU 50 HG2 GLU 50 -0.563 0.593 -1.329 375 HG3 GLU 50 HG3 GLU 50 0.088 1.861 -2.366 376 H VAL 51 H VAL 51 -2.119 -2.759 -2.256 377 HA VAL 51 HA VAL 51 -4.635 -3.315 -3.360 378 HB VAL 51 HB VAL 51 -4.897 -4.934 -1.490 379 HG11 VAL 51 HG11 VAL 51 -2.733 -4.828 -3.423 380 HG12 VAL 51 HG12 VAL 51 -2.356 -5.863 -2.043 381 HG13 VAL 51 HG13 VAL 51 -3.807 -6.161 -3.000 382 HG21 VAL 51 HG21 VAL 51 -2.984 -5.220 0.062 383 HG22 VAL 51 HG22 VAL 51 -2.304 -3.712 -0.549 384 HG23 VAL 51 HG23 VAL 51 -3.851 -3.702 0.298 385 H GLU 52 H GLU 52 -6.604 -2.554 -2.950 386 HA GLU 52 HA GLU 52 -7.022 -1.045 -0.453 387 HB2 GLU 52 HB2 GLU 52 -7.464 -0.301 -3.213 388 HB3 GLU 52 HB3 GLU 52 -8.962 -0.215 -2.297 389 HG2 GLU 52 HG2 GLU 52 -7.445 1.061 -0.570 390 HG3 GLU 52 HG3 GLU 52 -6.464 1.364 -2.003 391 HA PRO 53 HA PRO 53 -10.396 -3.653 0.573 392 HB2 PRO 53 HB2 PRO 53 -12.147 -1.904 1.687 393 HB3 PRO 53 HB3 PRO 53 -10.649 -2.402 2.483 394 HG2 PRO 53 HG2 PRO 53 -11.232 0.090 0.930 395 HG3 PRO 53 HG3 PRO 53 -10.347 -0.096 2.455 396 HD2 PRO 53 HD2 PRO 53 -9.096 0.201 0.072 397 HD3 PRO 53 HD3 PRO 53 -8.411 -0.763 1.396 398 H GLY 54 H GLY 54 -12.518 -0.939 0.149 399 HA2 GLY 54 HA2 GLY 54 -14.102 -2.426 -1.752 400 HA3 GLY 54 HA3 GLY 54 -14.493 -0.856 -1.066 401 H ARG 55 H ARG 55 -12.015 -2.265 -3.214 402 HA ARG 55 HA ARG 55 -12.531 -0.060 -5.089 403 HB2 ARG 55 HB2 ARG 55 -10.377 0.125 -3.635 404 HB3 ARG 55 HB3 ARG 55 -9.756 -1.131 -4.697 405 HG2 ARG 55 HG2 ARG 55 -9.013 0.892 -5.614 406 HG3 ARG 55 HG3 ARG 55 -10.371 0.393 -6.625 407 HD2 ARG 55 HD2 ARG 55 -11.251 2.007 -4.395 408 HD3 ARG 55 HD3 ARG 55 -10.034 2.848 -5.354 409 HE ARG 55 HE ARG 55 -12.726 2.345 -6.095 410 HH11 ARG 55 HH11 ARG 55 -9.498 2.544 -7.383 411 HH12 ARG 55 HH12 ARG 55 -10.019 2.991 -8.973 412 HH21 ARG 55 HH21 ARG 55 -13.425 2.933 -8.185 413 HH22 ARG 55 HH22 ARG 55 -12.254 3.213 -9.428 414 H GLY 56 H GLY 56 -11.240 -3.314 -4.593 415 HA2 GLY 56 HA2 GLY 56 -11.571 -3.828 -7.478 416 HA3 GLY 56 HA3 GLY 56 -10.526 -4.748 -6.405 417 H GLY 57 H GLY 57 -12.691 -5.630 -8.218 418 HA2 GLY 57 HA2 GLY 57 -15.054 -6.311 -6.990 419 HA3 GLY 57 HA3 GLY 57 -14.252 -7.319 -8.186 420 H LYS 58 H LYS 58 -12.112 -8.329 -7.022 421 HA LYS 58 HA LYS 58 -13.186 -10.218 -5.179 422 HB2 LYS 58 HB2 LYS 58 -10.452 -9.716 -6.320 423 HB3 LYS 58 HB3 LYS 58 -10.685 -10.895 -5.035 424 HG2 LYS 58 HG2 LYS 58 -12.400 -11.045 -7.465 425 HG3 LYS 58 HG3 LYS 58 -10.733 -11.622 -7.542 426 HD2 LYS 58 HD2 LYS 58 -11.575 -13.557 -6.781 427 HD3 LYS 58 HD3 LYS 58 -11.618 -12.746 -5.213 428 HE2 LYS 58 HE2 LYS 58 -13.874 -12.478 -5.262 429 HE3 LYS 58 HE3 LYS 58 -13.926 -12.310 -7.016 430 HZ1 LYS 58 HZ1 LYS 58 -14.552 -14.553 -5.526 431 HZ2 LYS 58 HZ2 LYS 58 -13.098 -14.919 -6.308 432 HZ3 LYS 58 HZ3 LYS 58 -14.446 -14.440 -7.211 433 H GLY 59 H GLY 59 -11.909 -7.121 -4.793 434 HA2 GLY 59 HA2 GLY 59 -12.249 -6.288 -2.455 435 HA3 GLY 59 HA3 GLY 59 -11.287 -7.672 -1.956 436 HA PRO 60 HA PRO 60 -7.609 -5.313 -2.240 437 HB2 PRO 60 HB2 PRO 60 -5.821 -7.124 -3.185 438 HB3 PRO 60 HB3 PRO 60 -6.468 -7.180 -1.541 439 HG2 PRO 60 HG2 PRO 60 -7.290 -8.748 -3.955 440 HG3 PRO 60 HG3 PRO 60 -7.066 -9.300 -2.285 441 HD2 PRO 60 HD2 PRO 60 -9.508 -8.778 -3.331 442 HD3 PRO 60 HD3 PRO 60 -9.128 -8.518 -1.616 443 H GLN 61 H GLN 61 -7.546 -3.719 -3.715 444 HA GLN 61 HA GLN 61 -7.119 -4.457 -6.535 445 HB2 GLN 61 HB2 GLN 61 -9.206 -3.037 -5.617 446 HB3 GLN 61 HB3 GLN 61 -8.059 -1.726 -5.857 447 HG2 GLN 61 HG2 GLN 61 -7.769 -2.985 -8.197 448 HG3 GLN 61 HG3 GLN 61 -9.435 -3.431 -7.831 449 HE21 GLN 61 HE21 GLN 61 -10.656 -2.183 -9.068 450 HE22 GLN 61 HE22 GLN 61 -10.541 -0.463 -9.190 451 H ALA 62 H ALA 62 -5.886 -2.796 -7.797 452 HA ALA 62 HA ALA 62 -3.483 -2.101 -6.315 453 HB1 ALA 62 HB1 ALA 62 -2.825 -1.369 -8.766 454 HB2 ALA 62 HB2 ALA 62 -2.822 -3.064 -8.277 455 HB3 ALA 62 HB3 ALA 62 -4.184 -2.410 -9.187 456 H LYS 63 H LYS 63 -5.237 -0.492 -5.280 457 HA LYS 63 HA LYS 63 -6.155 1.793 -6.366 458 HB2 LYS 63 HB2 LYS 63 -6.366 1.283 -3.988 459 HB3 LYS 63 HB3 LYS 63 -4.648 1.578 -3.753 460 HG2 LYS 63 HG2 LYS 63 -5.742 3.506 -2.982 461 HG3 LYS 63 HG3 LYS 63 -5.075 3.936 -4.559 462 HD2 LYS 63 HD2 LYS 63 -7.863 2.885 -4.400 463 HD3 LYS 63 HD3 LYS 63 -7.548 4.557 -3.929 464 HE2 LYS 63 HE2 LYS 63 -6.192 4.461 -6.250 465 HE3 LYS 63 HE3 LYS 63 -7.453 3.277 -6.589 466 HZ1 LYS 63 HZ1 LYS 63 -7.773 5.860 -7.006 467 HZ2 LYS 63 HZ2 LYS 63 -8.303 5.798 -5.402 468 HZ3 LYS 63 HZ3 LYS 63 -9.058 4.847 -6.579 469 H LYS 64 H LYS 64 -2.789 1.276 -5.352 470 HA LYS 64 HA LYS 64 -2.018 3.518 -7.100 471 HB2 LYS 64 HB2 LYS 64 -1.751 3.449 -4.327 472 HB3 LYS 64 HB3 LYS 64 -0.146 3.050 -4.926 473 HG2 LYS 64 HG2 LYS 64 -0.230 5.399 -4.626 474 HG3 LYS 64 HG3 LYS 64 -0.267 5.093 -6.364 475 HD2 LYS 64 HD2 LYS 64 -1.877 6.806 -5.824 476 HD3 LYS 64 HD3 LYS 64 -2.732 5.340 -6.309 477 HE2 LYS 64 HE2 LYS 64 -3.227 4.801 -4.028 478 HE3 LYS 64 HE3 LYS 64 -2.197 6.107 -3.444 479 HZ1 LYS 64 HZ1 LYS 64 -4.917 6.194 -4.352 480 HZ2 LYS 64 HZ2 LYS 64 -3.948 7.373 -5.082 481 HZ3 LYS 64 HZ3 LYS 64 -4.063 7.297 -3.395 482 H VAL 65 H VAL 65 -1.262 2.405 -8.825 483 HA VAL 65 HA VAL 65 0.696 0.264 -8.346 484 HB VAL 65 HB VAL 65 -1.412 0.608 -10.289 485 HG11 VAL 65 HG11 VAL 65 -0.144 -0.195 -12.259 486 HG12 VAL 65 HG12 VAL 65 0.292 1.445 -11.775 487 HG13 VAL 65 HG13 VAL 65 1.354 0.094 -11.375 488 HG21 VAL 65 HG21 VAL 65 -0.747 -1.370 -8.776 489 HG22 VAL 65 HG22 VAL 65 -1.312 -1.716 -10.411 490 HG23 VAL 65 HG23 VAL 65 0.413 -1.758 -10.047 491 H ARG 66 H ARG 66 2.723 0.317 -9.267 492 HA ARG 66 HA ARG 66 3.467 2.746 -10.744 493 HB2 ARG 66 HB2 ARG 66 4.378 1.924 -8.111 494 HB3 ARG 66 HB3 ARG 66 5.718 2.095 -9.237 495 HG2 ARG 66 HG2 ARG 66 4.996 4.372 -9.752 496 HG3 ARG 66 HG3 ARG 66 3.655 4.199 -8.618 497 HD2 ARG 66 HD2 ARG 66 5.467 3.635 -6.884 498 HD3 ARG 66 HD3 ARG 66 6.598 4.321 -8.051 499 HE ARG 66 HE ARG 66 4.821 5.754 -6.351 500 HH11 ARG 66 HH11 ARG 66 6.339 5.812 -9.483 501 HH12 ARG 66 HH12 ARG 66 6.286 7.538 -9.621 502 HH21 ARG 66 HH21 ARG 66 4.746 8.028 -6.520 503 HH22 ARG 66 HH22 ARG 66 5.381 8.798 -7.935 504 H ARG 67 H ARG 67 5.398 2.534 -12.035 505 HA ARG 67 HA ARG 67 5.688 -0.173 -13.075 506 HB2 ARG 67 HB2 ARG 67 6.725 2.467 -14.124 507 HB3 ARG 67 HB3 ARG 67 6.881 0.919 -14.943 508 HG2 ARG 67 HG2 ARG 67 4.685 0.862 -15.557 509 HG3 ARG 67 HG3 ARG 67 4.161 1.831 -14.179 510 HD2 ARG 67 HD2 ARG 67 5.687 2.854 -16.571 511 HD3 ARG 67 HD3 ARG 67 3.957 3.054 -16.297 512 HE ARG 67 HE ARG 67 5.033 4.139 -14.079 513 HH11 ARG 67 HH11 ARG 67 5.661 4.593 -17.473 514 HH12 ARG 67 HH12 ARG 67 6.146 6.247 -17.295 515 HH21 ARG 67 HH21 ARG 67 5.669 6.315 -13.832 516 HH22 ARG 67 HH22 ARG 67 6.150 7.225 -15.224 517 H ILE 68 H ILE 68 7.489 -1.384 -12.908 518 HA ILE 68 HA ILE 68 9.954 -0.151 -11.921 519 HB ILE 68 HB ILE 68 8.695 -2.594 -10.669 520 HG12 ILE 68 HG12 ILE 68 7.996 -0.064 -10.134 521 HG13 ILE 68 HG13 ILE 68 8.066 -1.307 -8.890 522 HG21 ILE 68 HG21 ILE 68 11.043 -2.929 -10.723 523 HG22 ILE 68 HG22 ILE 68 11.358 -1.265 -10.235 524 HG23 ILE 68 HG23 ILE 68 10.643 -2.399 -9.090 525 HD11 ILE 68 HD11 ILE 68 9.152 0.965 -8.424 526 HD12 ILE 68 HD12 ILE 68 10.058 -0.494 -8.022 527 HD13 ILE 68 HD13 ILE 68 10.442 0.407 -9.488 Start of MODEL 13 1 H1 MET 1 H MET 1 1.602 1.648 0.263 2 HA MET 1 HA MET 1 1.128 0.173 -1.922 3 HB2 MET 1 HB2 MET 1 2.948 1.343 -3.070 4 HB3 MET 1 HB3 MET 1 2.055 2.435 -2.020 5 HG2 MET 1 HG2 MET 1 3.843 2.090 -0.300 6 HG3 MET 1 HG3 MET 1 4.760 1.224 -1.530 7 HE1 MET 1 HE1 MET 1 3.240 4.201 -0.188 8 HE2 MET 1 HE2 MET 1 4.775 5.068 -0.138 9 HE3 MET 1 HE3 MET 1 3.534 5.538 -1.301 10 H LYS 2 H LYS 2 1.679 -1.758 -2.674 11 HA LYS 2 HA LYS 2 4.026 -3.096 -1.531 12 HB2 LYS 2 HB2 LYS 2 1.826 -4.363 -3.161 13 HB3 LYS 2 HB3 LYS 2 3.010 -5.171 -2.141 14 HG2 LYS 2 HG2 LYS 2 0.790 -3.370 -1.191 15 HG3 LYS 2 HG3 LYS 2 0.823 -5.132 -1.086 16 HD2 LYS 2 HD2 LYS 2 2.940 -4.885 0.273 17 HD3 LYS 2 HD3 LYS 2 2.592 -3.155 0.341 18 HE2 LYS 2 HE2 LYS 2 0.430 -3.641 1.388 19 HE3 LYS 2 HE3 LYS 2 0.789 -5.366 1.326 20 HZ1 LYS 2 HZ1 LYS 2 2.551 -3.449 2.732 21 HZ2 LYS 2 HZ2 LYS 2 2.495 -5.132 2.890 22 HZ3 LYS 2 HZ3 LYS 2 1.234 -4.183 3.500 23 H LYS 3 H LYS 3 5.084 -4.703 -3.101 24 HA LYS 3 HA LYS 3 5.201 -3.692 -5.840 25 HB2 LYS 3 HB2 LYS 3 7.710 -4.098 -4.212 26 HB3 LYS 3 HB3 LYS 3 7.584 -3.440 -5.838 27 HG2 LYS 3 HG2 LYS 3 6.594 -1.437 -5.046 28 HG3 LYS 3 HG3 LYS 3 6.366 -2.113 -3.432 29 HD2 LYS 3 HD2 LYS 3 8.263 -0.581 -3.476 30 HD3 LYS 3 HD3 LYS 3 8.794 -2.230 -3.139 31 HE2 LYS 3 HE2 LYS 3 10.076 -2.275 -4.962 32 HE3 LYS 3 HE3 LYS 3 8.765 -1.679 -5.979 33 HZ1 LYS 3 HZ1 LYS 3 10.860 -0.260 -5.752 34 HZ2 LYS 3 HZ2 LYS 3 10.271 0.151 -4.221 35 HZ3 LYS 3 HZ3 LYS 3 9.364 0.515 -5.602 36 H GLY 4 H GLY 4 5.429 -5.275 -7.312 37 HA2 GLY 4 HA2 GLY 4 6.834 -7.703 -6.822 38 HA3 GLY 4 HA3 GLY 4 5.099 -7.949 -6.689 39 H THR 5 H THR 5 6.337 -9.376 -8.564 40 HA THR 5 HA THR 5 6.522 -8.077 -11.096 41 HB THR 5 HB THR 5 6.310 -10.577 -11.896 42 HG1 THR 5 HG1 THR 5 5.738 -11.677 -10.120 43 HG21 THR 5 HG21 THR 5 8.371 -9.007 -11.654 44 HG22 THR 5 HG22 THR 5 8.624 -10.745 -11.815 45 HG23 THR 5 HG23 THR 5 8.725 -9.982 -10.228 46 H VAL 6 H VAL 6 5.157 -8.480 -12.946 47 HA VAL 6 HA VAL 6 2.331 -8.606 -12.187 48 HB VAL 6 HB VAL 6 3.113 -6.644 -13.486 49 HG11 VAL 6 HG11 VAL 6 4.263 -6.790 -15.401 50 HG12 VAL 6 HG12 VAL 6 4.561 -8.464 -14.932 51 HG13 VAL 6 HG13 VAL 6 3.234 -8.077 -16.028 52 HG21 VAL 6 HG21 VAL 6 1.182 -8.363 -15.037 53 HG22 VAL 6 HG22 VAL 6 0.767 -7.468 -13.576 54 HG23 VAL 6 HG23 VAL 6 1.269 -6.601 -15.027 55 H LYS 7 H LYS 7 1.027 -10.226 -12.783 56 HA LYS 7 HA LYS 7 2.152 -12.554 -14.023 57 HB2 LYS 7 HB2 LYS 7 -0.028 -12.007 -12.338 58 HB3 LYS 7 HB3 LYS 7 -0.728 -12.628 -13.827 59 HG2 LYS 7 HG2 LYS 7 0.011 -14.707 -13.454 60 HG3 LYS 7 HG3 LYS 7 1.574 -14.151 -12.848 61 HD2 LYS 7 HD2 LYS 7 0.500 -15.201 -11.021 62 HD3 LYS 7 HD3 LYS 7 0.361 -13.464 -10.735 63 HE2 LYS 7 HE2 LYS 7 -1.770 -14.286 -10.257 64 HE3 LYS 7 HE3 LYS 7 -1.918 -13.655 -11.896 65 HZ1 LYS 7 HZ1 LYS 7 -1.646 -16.491 -11.076 66 HZ2 LYS 7 HZ2 LYS 7 -1.506 -15.973 -12.680 67 HZ3 LYS 7 HZ3 LYS 7 -2.964 -15.762 -11.848 68 H TRP 8 H TRP 8 -0.035 -9.978 -14.987 69 HA TRP 8 HA TRP 8 0.507 -10.270 -17.724 70 HB2 TRP 8 HB2 TRP 8 -1.715 -11.090 -18.497 71 HB3 TRP 8 HB3 TRP 8 -0.789 -12.309 -17.625 72 HD1 TRP 8 HD1 TRP 8 -3.588 -9.736 -16.809 73 HE1 TRP 8 HE1 TRP 8 -5.174 -10.819 -15.095 74 HE3 TRP 8 HE3 TRP 8 -1.144 -14.176 -16.133 75 HZ2 TRP 8 HZ2 TRP 8 -5.363 -13.235 -13.647 76 HZ3 TRP 8 HZ3 TRP 8 -2.094 -15.818 -14.566 77 HH2 TRP 8 HH2 TRP 8 -4.159 -15.355 -13.350 78 H PHE 9 H PHE 9 -0.345 -8.591 -18.935 79 HA PHE 9 HA PHE 9 -2.101 -6.719 -17.491 80 HB2 PHE 9 HB2 PHE 9 0.290 -5.962 -17.573 81 HB3 PHE 9 HB3 PHE 9 0.163 -5.922 -19.328 82 HD1 PHE 9 HD1 PHE 9 -1.617 -4.405 -20.349 83 HD2 PHE 9 HD2 PHE 9 -0.347 -4.130 -16.296 84 HE1 PHE 9 HE1 PHE 9 -2.497 -2.111 -20.233 85 HE2 PHE 9 HE2 PHE 9 -1.226 -1.835 -16.173 86 HZ PHE 9 HZ PHE 9 -2.301 -0.822 -18.144 87 H ASN 10 H ASN 10 -3.991 -7.103 -18.528 88 HA ASN 10 HA ASN 10 -4.124 -7.464 -21.378 89 HB2 ASN 10 HB2 ASN 10 -5.822 -7.971 -19.164 90 HB3 ASN 10 HB3 ASN 10 -6.691 -6.884 -20.243 91 HD21 ASN 10 HD21 ASN 10 -6.297 -7.560 -22.660 92 HD22 ASN 10 HD22 ASN 10 -6.607 -9.229 -22.983 93 H ALA 11 H ALA 11 -3.649 -5.723 -22.584 94 HA ALA 11 HA ALA 11 -4.458 -3.064 -21.790 95 HB1 ALA 11 HB1 ALA 11 -2.290 -3.749 -23.016 96 HB2 ALA 11 HB2 ALA 11 -3.296 -3.742 -24.465 97 HB3 ALA 11 HB3 ALA 11 -3.116 -2.271 -23.509 98 H GLU 12 H GLU 12 -5.579 -5.574 -23.919 99 HA GLU 12 HA GLU 12 -7.247 -3.949 -25.552 100 HB2 GLU 12 HB2 GLU 12 -7.216 -6.907 -24.964 101 HB3 GLU 12 HB3 GLU 12 -8.374 -6.172 -26.064 102 HG2 GLU 12 HG2 GLU 12 -6.709 -6.928 -27.475 103 HG3 GLU 12 HG3 GLU 12 -6.313 -5.223 -27.268 104 H LYS 13 H LYS 13 -7.556 -5.274 -22.388 105 HA LYS 13 HA LYS 13 -10.422 -4.599 -22.346 106 HB2 LYS 13 HB2 LYS 13 -8.982 -6.255 -20.281 107 HB3 LYS 13 HB3 LYS 13 -10.714 -6.138 -20.564 108 HG2 LYS 13 HG2 LYS 13 -8.732 -7.373 -22.465 109 HG3 LYS 13 HG3 LYS 13 -9.760 -8.264 -21.341 110 HD2 LYS 13 HD2 LYS 13 -11.706 -7.014 -22.498 111 HD3 LYS 13 HD3 LYS 13 -10.534 -6.700 -23.780 112 HE2 LYS 13 HE2 LYS 13 -10.686 -9.487 -22.828 113 HE3 LYS 13 HE3 LYS 13 -12.111 -8.889 -23.676 114 HZ1 LYS 13 HZ1 LYS 13 -11.055 -9.150 -25.586 115 HZ2 LYS 13 HZ2 LYS 13 -9.703 -9.762 -24.775 116 HZ3 LYS 13 HZ3 LYS 13 -9.819 -8.105 -25.093 117 H GLY 14 H GLY 14 -7.358 -4.217 -20.624 118 HA2 GLY 14 HA2 GLY 14 -6.753 -2.132 -19.624 119 HA3 GLY 14 HA3 GLY 14 -8.460 -1.790 -19.384 120 H TYR 15 H TYR 15 -6.793 -4.795 -18.587 121 HA TYR 15 HA TYR 15 -7.031 -4.154 -15.734 122 HB2 TYR 15 HB2 TYR 15 -7.846 -6.851 -16.802 123 HB3 TYR 15 HB3 TYR 15 -8.138 -6.176 -15.203 124 HD1 TYR 15 HD1 TYR 15 -9.459 -3.775 -15.404 125 HD2 TYR 15 HD2 TYR 15 -9.717 -7.038 -18.122 126 HE1 TYR 15 HE1 TYR 15 -11.669 -2.982 -16.138 127 HE2 TYR 15 HE2 TYR 15 -11.926 -6.254 -18.864 128 HH TYR 15 HH TYR 15 -13.849 -4.540 -17.424 129 H GLY 16 H GLY 16 -5.939 -5.971 -14.403 130 HA2 GLY 16 HA2 GLY 16 -3.890 -7.514 -15.640 131 HA3 GLY 16 HA3 GLY 16 -3.233 -6.025 -14.976 132 H PHE 17 H PHE 17 -2.314 -8.392 -14.022 133 HA PHE 17 HA PHE 17 -3.391 -8.388 -11.292 134 HB2 PHE 17 HB2 PHE 17 -3.069 -10.725 -13.121 135 HB3 PHE 17 HB3 PHE 17 -2.731 -10.956 -11.408 136 HD1 PHE 17 HD1 PHE 17 -5.344 -9.470 -13.617 137 HD2 PHE 17 HD2 PHE 17 -4.457 -11.610 -10.046 138 HE1 PHE 17 HE1 PHE 17 -7.751 -9.740 -13.185 139 HE2 PHE 17 HE2 PHE 17 -6.863 -11.885 -9.609 140 HZ PHE 17 HZ PHE 17 -8.513 -10.948 -11.179 141 H ILE 18 H ILE 18 -1.872 -8.234 -9.762 142 HA ILE 18 HA ILE 18 0.929 -8.710 -10.550 143 HB ILE 18 HB ILE 18 -0.067 -6.673 -8.555 144 HG12 ILE 18 HG12 ILE 18 1.307 -5.974 -11.120 145 HG13 ILE 18 HG13 ILE 18 -0.411 -6.358 -11.151 146 HG21 ILE 18 HG21 ILE 18 2.291 -5.871 -8.651 147 HG22 ILE 18 HG22 ILE 18 2.101 -7.468 -7.929 148 HG23 ILE 18 HG23 ILE 18 2.691 -7.313 -9.584 149 HD11 ILE 18 HD11 ILE 18 -0.454 -4.603 -9.171 150 HD12 ILE 18 HD12 ILE 18 0.994 -4.026 -9.997 151 HD13 ILE 18 HD13 ILE 18 -0.538 -4.117 -10.864 152 H GLN 19 H GLN 19 2.324 -9.614 -9.013 153 HA GLN 19 HA GLN 19 1.009 -10.774 -6.647 154 HB2 GLN 19 HB2 GLN 19 2.387 -12.790 -6.944 155 HB3 GLN 19 HB3 GLN 19 1.324 -12.516 -8.318 156 HG2 GLN 19 HG2 GLN 19 3.962 -11.302 -8.613 157 HG3 GLN 19 HG3 GLN 19 3.993 -13.058 -8.457 158 HE21 GLN 19 HE21 GLN 19 1.510 -11.027 -9.918 159 HE22 GLN 19 HE22 GLN 19 1.662 -11.675 -11.512 160 H GLN 20 H GLN 20 2.016 -10.472 -4.758 161 HA GLN 20 HA GLN 20 4.698 -9.265 -4.826 162 HB2 GLN 20 HB2 GLN 20 4.093 -8.440 -2.514 163 HB3 GLN 20 HB3 GLN 20 3.168 -7.744 -3.838 164 HG2 GLN 20 HG2 GLN 20 1.339 -9.321 -3.351 165 HG3 GLN 20 HG3 GLN 20 2.262 -9.928 -1.977 166 HE21 GLN 20 HE21 GLN 20 3.283 -7.589 -0.960 167 HE22 GLN 20 HE22 GLN 20 1.993 -6.610 -0.361 168 H GLU 21 H GLU 21 5.647 -9.596 -2.378 169 HA GLU 21 HA GLU 21 6.551 -12.246 -2.324 170 HB2 GLU 21 HB2 GLU 21 6.591 -10.138 -0.159 171 HB3 GLU 21 HB3 GLU 21 7.471 -11.658 -0.078 172 HG2 GLU 21 HG2 GLU 21 8.537 -10.916 -2.295 173 HG3 GLU 21 HG3 GLU 21 7.929 -9.315 -1.880 174 H GLU 22 H GLU 22 3.707 -10.809 -1.046 175 HA GLU 22 HA GLU 22 3.107 -12.390 1.139 176 HB2 GLU 22 HB2 GLU 22 1.232 -11.314 -0.973 177 HB3 GLU 22 HB3 GLU 22 0.719 -11.965 0.577 178 HG2 GLU 22 HG2 GLU 22 2.047 -10.208 1.704 179 HG3 GLU 22 HG3 GLU 22 2.416 -9.523 0.123 180 H GLY 23 H GLY 23 1.597 -12.952 -2.039 181 HA2 GLY 23 HA2 GLY 23 2.390 -15.520 -2.550 182 HA3 GLY 23 HA3 GLY 23 1.082 -15.701 -1.391 183 HA PRO 24 HA PRO 24 -1.974 -15.279 -4.501 184 HB2 PRO 24 HB2 PRO 24 -3.754 -13.493 -3.495 185 HB3 PRO 24 HB3 PRO 24 -3.575 -15.133 -2.860 186 HG2 PRO 24 HG2 PRO 24 -2.454 -12.564 -1.811 187 HG3 PRO 24 HG3 PRO 24 -3.198 -13.905 -0.922 188 HD2 PRO 24 HD2 PRO 24 -0.516 -13.569 -1.074 189 HD3 PRO 24 HD3 PRO 24 -1.273 -15.171 -0.970 190 H ASP 25 H ASP 25 -3.117 -13.786 -5.999 191 HA ASP 25 HA ASP 25 -1.310 -11.661 -6.822 192 HB2 ASP 25 HB2 ASP 25 -2.873 -11.582 -8.835 193 HB3 ASP 25 HB3 ASP 25 -1.960 -13.072 -8.609 194 H VAL 26 H VAL 26 -2.582 -9.724 -7.911 195 HA VAL 26 HA VAL 26 -4.634 -8.795 -6.012 196 HB VAL 26 HB VAL 26 -2.134 -7.793 -5.974 197 HG11 VAL 26 HG11 VAL 26 -3.578 -5.799 -7.688 198 HG12 VAL 26 HG12 VAL 26 -1.866 -5.863 -7.264 199 HG13 VAL 26 HG13 VAL 26 -2.541 -7.040 -8.391 200 HG21 VAL 26 HG21 VAL 26 -3.693 -7.209 -4.309 201 HG22 VAL 26 HG22 VAL 26 -3.214 -5.683 -5.052 202 HG23 VAL 26 HG23 VAL 26 -4.760 -6.420 -5.471 203 H PHE 27 H PHE 27 -6.164 -7.308 -6.832 204 HA PHE 27 HA PHE 27 -6.629 -7.615 -9.688 205 HB2 PHE 27 HB2 PHE 27 -8.313 -7.646 -7.513 206 HB3 PHE 27 HB3 PHE 27 -8.573 -6.032 -8.166 207 HD1 PHE 27 HD2 PHE 27 -8.357 -6.407 -11.024 208 HD2 PHE 27 HD1 PHE 27 -10.140 -8.923 -8.090 209 HE1 PHE 27 HE2 PHE 27 -9.854 -7.341 -12.739 210 HE2 PHE 27 HE1 PHE 27 -11.639 -9.861 -9.800 211 HZ PHE 27 HZ PHE 27 -11.497 -9.071 -12.128 212 H VAL 28 H VAL 28 -5.880 -6.153 -11.059 213 HA VAL 28 HA VAL 28 -5.779 -3.335 -10.199 214 HB VAL 28 HB VAL 28 -3.680 -3.049 -10.954 215 HG11 VAL 28 HG11 VAL 28 -3.725 -6.062 -10.823 216 HG12 VAL 28 HG12 VAL 28 -2.268 -5.067 -10.816 217 HG13 VAL 28 HG13 VAL 28 -3.421 -4.955 -9.485 218 HG21 VAL 28 HG21 VAL 28 -4.172 -3.201 -13.269 219 HG22 VAL 28 HG22 VAL 28 -2.779 -4.243 -12.985 220 HG23 VAL 28 HG23 VAL 28 -4.383 -4.950 -13.181 221 H HIS 29 H HIS 29 -6.471 -1.792 -11.634 222 HA HIS 29 HA HIS 29 -7.481 -2.732 -14.232 223 HB2 HIS 29 HB2 HIS 29 -8.921 -1.172 -12.112 224 HB3 HIS 29 HB3 HIS 29 -9.352 -0.961 -13.806 225 HD1 HIS 29 HD1 HIS 29 -11.467 -2.206 -14.118 226 HD2 HIS 29 HD2 HIS 29 -8.724 -4.354 -11.853 227 HE1 HIS 29 HE1 HIS 29 -12.536 -4.446 -13.713 228 H PHE 30 H PHE 30 -7.765 -1.019 -15.828 229 HA PHE 30 HA PHE 30 -5.516 0.630 -16.045 230 HB2 PHE 30 HB2 PHE 30 -6.467 1.449 -18.056 231 HB3 PHE 30 HB3 PHE 30 -7.028 -0.214 -17.914 232 HD1 PHE 30 HD2 PHE 30 -9.355 -0.562 -16.857 233 HD2 PHE 30 HD1 PHE 30 -7.982 3.160 -18.400 234 HE1 PHE 30 HE2 PHE 30 -11.683 0.207 -17.066 235 HE2 PHE 30 HE1 PHE 30 -10.307 3.935 -18.611 236 HZ PHE 30 HZ PHE 30 -12.162 2.457 -17.944 237 H THR 31 H THR 31 -8.458 1.095 -14.372 238 HA THR 31 HA THR 31 -8.230 3.995 -14.320 239 HB THR 31 HB THR 31 -10.470 2.946 -14.453 240 HG1 THR 31 HG1 THR 31 -11.376 4.317 -12.902 241 HG21 THR 31 HG21 THR 31 -9.752 1.027 -12.885 242 HG22 THR 31 HG22 THR 31 -11.393 1.656 -12.737 243 HG23 THR 31 HG23 THR 31 -10.156 2.141 -11.579 244 H ALA 32 H ALA 32 -6.706 1.553 -12.778 245 HA ALA 32 HA ALA 32 -6.450 3.080 -10.268 246 HB1 ALA 32 HB1 ALA 32 -5.637 0.231 -10.341 247 HB2 ALA 32 HB2 ALA 32 -6.373 1.169 -9.041 248 HB3 ALA 32 HB3 ALA 32 -7.365 0.586 -10.378 249 H ILE 33 H ILE 33 -4.828 1.698 -12.982 250 HA ILE 33 HA ILE 33 -2.201 1.608 -11.945 251 HB ILE 33 HB ILE 33 -3.206 1.884 -14.775 252 HG12 ILE 33 HG12 ILE 33 -1.742 -0.518 -13.903 253 HG13 ILE 33 HG13 ILE 33 -3.282 -0.267 -13.088 254 HG21 ILE 33 HG21 ILE 33 -0.514 2.168 -13.705 255 HG22 ILE 33 HG22 ILE 33 -0.639 0.915 -14.938 256 HG23 ILE 33 HG23 ILE 33 -1.146 2.564 -15.303 257 HD11 ILE 33 HD11 ILE 33 -3.056 -1.616 -15.362 258 HD12 ILE 33 HD12 ILE 33 -4.488 -0.670 -14.956 259 HD13 ILE 33 HD13 ILE 33 -3.262 0.003 -16.030 260 H GLU 34 H GLU 34 -0.811 3.182 -11.490 261 HA GLU 34 HA GLU 34 -1.391 5.886 -12.503 262 HB2 GLU 34 HB2 GLU 34 0.206 5.184 -10.039 263 HB3 GLU 34 HB3 GLU 34 -0.353 6.778 -10.528 264 HG2 GLU 34 HG2 GLU 34 -2.601 5.044 -10.336 265 HG3 GLU 34 HG3 GLU 34 -1.640 4.899 -8.865 266 H ALA 35 H ALA 35 -0.208 5.593 -14.429 267 HA ALA 35 HA ALA 35 2.704 5.321 -14.075 268 HB1 ALA 35 HB1 ALA 35 0.926 4.039 -15.864 269 HB2 ALA 35 HB2 ALA 35 1.967 5.099 -16.815 270 HB3 ALA 35 HB3 ALA 35 2.679 3.879 -15.759 271 H ASP 36 H ASP 36 3.817 6.422 -16.136 272 HA ASP 36 HA ASP 36 2.784 9.181 -16.236 273 HB2 ASP 36 HB2 ASP 36 5.501 8.092 -15.781 274 HB3 ASP 36 HB3 ASP 36 5.400 9.507 -16.826 275 H GLY 37 H GLY 37 1.546 8.351 -18.116 276 HA2 GLY 37 HA2 GLY 37 1.720 9.172 -20.461 277 HA3 GLY 37 HA3 GLY 37 3.241 8.295 -20.538 278 H PHE 38 H PHE 38 0.550 8.121 -21.981 279 HA PHE 38 HA PHE 38 -0.800 5.788 -21.380 280 HB2 PHE 38 HB2 PHE 38 -0.289 7.249 -23.948 281 HB3 PHE 38 HB3 PHE 38 -1.135 5.705 -23.974 282 HD1 PHE 38 HD2 PHE 38 -3.209 5.479 -22.488 283 HD2 PHE 38 HD1 PHE 38 -1.438 9.213 -23.507 284 HE1 PHE 38 HE2 PHE 38 -5.315 6.625 -21.937 285 HE2 PHE 38 HE1 PHE 38 -3.541 10.365 -22.957 286 HZ PHE 38 HZ PHE 38 -5.484 9.071 -22.172 287 H ARG 39 H ARG 39 0.074 3.862 -20.998 288 HA ARG 39 HA ARG 39 1.431 2.423 -23.031 289 HB2 ARG 39 HB2 ARG 39 3.155 4.051 -21.743 290 HB3 ARG 39 HB3 ARG 39 3.221 2.650 -20.683 291 HG2 ARG 39 HG2 ARG 39 4.974 2.459 -22.283 292 HG3 ARG 39 HG3 ARG 39 3.748 1.250 -22.670 293 HD2 ARG 39 HD2 ARG 39 4.038 2.086 -24.756 294 HD3 ARG 39 HD3 ARG 39 2.851 3.258 -24.184 295 HE ARG 39 HE ARG 39 5.290 4.310 -23.503 296 HH11 ARG 39 HH11 ARG 39 3.745 3.280 -26.448 297 HH12 ARG 39 HH12 ARG 39 4.597 4.413 -27.444 298 HH21 ARG 39 HH21 ARG 39 6.418 5.806 -24.804 299 HH22 ARG 39 HH22 ARG 39 6.118 5.849 -26.508 300 H THR 40 H THR 40 2.135 0.239 -22.238 301 HA THR 40 HA THR 40 0.417 -0.613 -19.998 302 HB THR 40 HB THR 40 0.146 -2.762 -21.084 303 HG1 THR 40 HG1 THR 40 2.079 -2.994 -22.185 304 HG21 THR 40 HG21 THR 40 -0.423 -0.363 -22.811 305 HG22 THR 40 HG22 THR 40 -1.525 -1.228 -21.739 306 HG23 THR 40 HG23 THR 40 -0.976 -1.983 -23.235 307 H LEU 41 H LEU 41 1.237 -3.070 -19.462 308 HA LEU 41 HA LEU 41 4.059 -2.724 -18.701 309 HB2 LEU 41 HB2 LEU 41 1.736 -4.067 -17.383 310 HB3 LEU 41 HB3 LEU 41 3.379 -4.584 -17.009 311 HG LEU 41 HG LEU 41 2.585 -3.038 -15.328 312 HD11 LEU 41 HD11 LEU 41 4.418 -1.543 -15.299 313 HD12 LEU 41 HD12 LEU 41 4.564 -1.575 -17.056 314 HD13 LEU 41 HD13 LEU 41 4.979 -3.005 -16.111 315 HD21 LEU 41 HD21 LEU 41 1.447 -1.155 -15.740 316 HD22 LEU 41 HD22 LEU 41 1.209 -1.828 -17.353 317 HD23 LEU 41 HD23 LEU 41 2.518 -0.681 -17.059 318 H ASN 42 H ASN 42 5.009 -5.061 -18.150 319 HA ASN 42 HA ASN 42 4.375 -6.857 -20.391 320 HB2 ASN 42 HB2 ASN 42 7.188 -6.263 -19.461 321 HB3 ASN 42 HB3 ASN 42 6.701 -7.201 -20.869 322 HD21 ASN 42 HD21 ASN 42 8.137 -4.492 -20.154 323 HD22 ASN 42 HD22 ASN 42 7.545 -3.439 -21.390 324 H GLU 43 H GLU 43 4.093 -8.914 -19.812 325 HA GLU 43 HA GLU 43 3.973 -9.772 -17.188 326 HB2 GLU 43 HB2 GLU 43 2.869 -10.977 -18.981 327 HB3 GLU 43 HB3 GLU 43 4.419 -11.401 -19.694 328 HG2 GLU 43 HG2 GLU 43 4.931 -12.639 -17.563 329 HG3 GLU 43 HG3 GLU 43 3.245 -12.389 -17.113 330 H GLY 44 H GLY 44 5.487 -10.123 -15.712 331 HA2 GLY 44 HA2 GLY 44 7.426 -11.444 -15.054 332 HA3 GLY 44 HA3 GLY 44 8.133 -11.068 -16.619 333 H GLU 45 H GLU 45 6.932 -8.238 -16.100 334 HA GLU 45 HA GLU 45 9.368 -7.193 -14.940 335 HB2 GLU 45 HB2 GLU 45 8.337 -6.150 -16.936 336 HB3 GLU 45 HB3 GLU 45 6.933 -5.726 -15.967 337 HG2 GLU 45 HG2 GLU 45 7.999 -4.034 -14.901 338 HG3 GLU 45 HG3 GLU 45 9.574 -4.820 -14.990 339 H HIS 46 H HIS 46 9.331 -5.553 -13.240 340 HA HIS 46 HA HIS 46 7.520 -6.347 -11.102 341 HB2 HIS 46 HB2 HIS 46 9.582 -4.266 -10.632 342 HB3 HIS 46 HB3 HIS 46 9.118 -5.639 -9.632 343 HD1 HIS 46 HD1 HIS 46 10.199 -7.961 -10.258 344 HD2 HIS 46 HD2 HIS 46 11.741 -4.686 -12.296 345 HE1 HIS 46 HE1 HIS 46 12.354 -8.759 -11.279 346 H VAL 47 H VAL 47 6.061 -5.020 -10.108 347 HA VAL 47 HA VAL 47 5.908 -2.209 -10.798 348 HB VAL 47 HB VAL 47 3.582 -2.310 -11.572 349 HG11 VAL 47 HG11 VAL 47 4.013 -3.155 -13.803 350 HG12 VAL 47 HG12 VAL 47 5.432 -2.300 -13.196 351 HG13 VAL 47 HG13 VAL 47 5.405 -4.064 -13.215 352 HG21 VAL 47 HG21 VAL 47 2.481 -4.366 -12.084 353 HG22 VAL 47 HG22 VAL 47 3.929 -5.301 -11.710 354 HG23 VAL 47 HG23 VAL 47 3.057 -4.472 -10.421 355 H GLU 48 H GLU 48 4.863 -1.003 -9.270 356 HA GLU 48 HA GLU 48 4.230 -2.357 -6.789 357 HB2 GLU 48 HB2 GLU 48 3.942 0.598 -7.217 358 HB3 GLU 48 HB3 GLU 48 4.377 -0.271 -5.752 359 HG2 GLU 48 HG2 GLU 48 6.516 -0.920 -6.964 360 HG3 GLU 48 HG3 GLU 48 6.080 0.310 -8.149 361 H PHE 49 H PHE 49 2.266 -1.926 -5.589 362 HA PHE 49 HA PHE 49 -0.016 -0.831 -6.949 363 HB2 PHE 49 HB2 PHE 49 -1.345 -2.890 -6.974 364 HB3 PHE 49 HB3 PHE 49 0.085 -3.055 -7.988 365 HD1 PHE 49 HD1 PHE 49 1.973 -4.444 -7.249 366 HD2 PHE 49 HD2 PHE 49 -1.656 -4.234 -5.035 367 HE1 PHE 49 HE1 PHE 49 2.604 -6.484 -6.027 368 HE2 PHE 49 HE2 PHE 49 -1.031 -6.273 -3.809 369 HZ PHE 49 HZ PHE 49 1.102 -7.401 -4.304 370 H GLU 50 H GLU 50 -1.434 -0.054 -5.506 371 HA GLU 50 HA GLU 50 -0.977 -0.688 -2.685 372 HB2 GLU 50 HB2 GLU 50 -1.619 1.700 -4.127 373 HB3 GLU 50 HB3 GLU 50 -2.904 1.374 -2.972 374 HG2 GLU 50 HG2 GLU 50 -0.669 0.948 -1.467 375 HG3 GLU 50 HG3 GLU 50 -0.158 2.257 -2.531 376 H VAL 51 H VAL 51 -2.109 -2.501 -2.211 377 HA VAL 51 HA VAL 51 -4.612 -3.208 -3.273 378 HB VAL 51 HB VAL 51 -4.763 -4.818 -1.410 379 HG11 VAL 51 HG11 VAL 51 -2.754 -4.663 -3.400 380 HG12 VAL 51 HG12 VAL 51 -2.026 -5.368 -1.956 381 HG13 VAL 51 HG13 VAL 51 -3.463 -6.102 -2.668 382 HG21 VAL 51 HG21 VAL 51 -2.786 -4.936 0.151 383 HG22 VAL 51 HG22 VAL 51 -2.360 -3.314 -0.396 384 HG23 VAL 51 HG23 VAL 51 -3.895 -3.592 0.426 385 H GLU 52 H GLU 52 -6.580 -2.446 -2.889 386 HA GLU 52 HA GLU 52 -7.015 -0.859 -0.447 387 HB2 GLU 52 HB2 GLU 52 -7.672 -0.394 -3.230 388 HB3 GLU 52 HB3 GLU 52 -9.110 -0.324 -2.220 389 HG2 GLU 52 HG2 GLU 52 -7.781 1.833 -2.642 390 HG3 GLU 52 HG3 GLU 52 -8.334 1.481 -1.005 391 HA PRO 53 HA PRO 53 -10.081 -3.657 0.975 392 HB2 PRO 53 HB2 PRO 53 -11.862 -1.970 2.138 393 HB3 PRO 53 HB3 PRO 53 -10.276 -2.322 2.835 394 HG2 PRO 53 HG2 PRO 53 -11.151 0.036 1.212 395 HG3 PRO 53 HG3 PRO 53 -10.141 -0.007 2.669 396 HD2 PRO 53 HD2 PRO 53 -9.100 0.243 0.182 397 HD3 PRO 53 HD3 PRO 53 -8.249 -0.599 1.493 398 H GLY 54 H GLY 54 -12.424 -1.127 0.598 399 HA2 GLY 54 HA2 GLY 54 -14.008 -2.819 -1.136 400 HA3 GLY 54 HA3 GLY 54 -14.499 -1.281 -0.441 401 H ARG 55 H ARG 55 -12.010 -2.440 -2.722 402 HA ARG 55 HA ARG 55 -12.923 -0.382 -4.612 403 HB2 ARG 55 HB2 ARG 55 -10.697 0.061 -3.256 404 HB3 ARG 55 HB3 ARG 55 -10.012 -1.031 -4.452 405 HG2 ARG 55 HG2 ARG 55 -9.653 0.982 -5.464 406 HG3 ARG 55 HG3 ARG 55 -11.225 0.558 -6.145 407 HD2 ARG 55 HD2 ARG 55 -10.992 2.185 -3.635 408 HD3 ARG 55 HD3 ARG 55 -10.895 2.936 -5.228 409 HE ARG 55 HE ARG 55 -13.176 1.424 -5.298 410 HH11 ARG 55 HH11 ARG 55 -11.956 3.989 -3.285 411 HH12 ARG 55 HH12 ARG 55 -13.526 4.618 -2.910 412 HH21 ARG 55 HH21 ARG 55 -15.248 2.242 -4.811 413 HH22 ARG 55 HH22 ARG 55 -15.398 3.622 -3.777 414 H GLY 56 H GLY 56 -11.219 -3.430 -4.099 415 HA2 GLY 56 HA2 GLY 56 -11.489 -4.047 -6.962 416 HA3 GLY 56 HA3 GLY 56 -10.433 -4.882 -5.832 417 H GLY 57 H GLY 57 -12.489 -5.914 -7.702 418 HA2 GLY 57 HA2 GLY 57 -14.848 -6.708 -6.548 419 HA3 GLY 57 HA3 GLY 57 -13.942 -7.698 -7.682 420 H LYS 58 H LYS 58 -11.834 -8.615 -6.455 421 HA LYS 58 HA LYS 58 -12.894 -10.439 -4.525 422 HB2 LYS 58 HB2 LYS 58 -10.049 -10.000 -5.452 423 HB3 LYS 58 HB3 LYS 58 -10.596 -11.352 -4.470 424 HG2 LYS 58 HG2 LYS 58 -11.536 -10.735 -7.264 425 HG3 LYS 58 HG3 LYS 58 -10.341 -11.959 -6.826 426 HD2 LYS 58 HD2 LYS 58 -13.210 -11.900 -5.889 427 HD3 LYS 58 HD3 LYS 58 -12.578 -12.922 -7.182 428 HE2 LYS 58 HE2 LYS 58 -10.912 -13.759 -5.404 429 HE3 LYS 58 HE3 LYS 58 -12.022 -13.041 -4.238 430 HZ1 LYS 58 HZ1 LYS 58 -13.496 -14.581 -6.063 431 HZ2 LYS 58 HZ2 LYS 58 -13.304 -14.820 -4.400 432 HZ3 LYS 58 HZ3 LYS 58 -12.216 -15.526 -5.486 433 H GLY 59 H GLY 59 -11.777 -7.316 -4.264 434 HA2 GLY 59 HA2 GLY 59 -12.029 -6.414 -1.956 435 HA3 GLY 59 HA3 GLY 59 -11.001 -7.744 -1.444 436 HA PRO 60 HA PRO 60 -7.435 -5.246 -1.919 437 HB2 PRO 60 HB2 PRO 60 -5.593 -7.040 -2.790 438 HB3 PRO 60 HB3 PRO 60 -6.209 -7.023 -1.133 439 HG2 PRO 60 HG2 PRO 60 -7.010 -8.762 -3.434 440 HG3 PRO 60 HG3 PRO 60 -6.735 -9.205 -1.739 441 HD2 PRO 60 HD2 PRO 60 -9.214 -8.841 -2.766 442 HD3 PRO 60 HD3 PRO 60 -8.815 -8.465 -1.077 443 H GLN 61 H GLN 61 -7.514 -3.744 -3.494 444 HA GLN 61 HA GLN 61 -7.073 -4.631 -6.269 445 HB2 GLN 61 HB2 GLN 61 -9.207 -3.226 -5.359 446 HB3 GLN 61 HB3 GLN 61 -8.129 -1.912 -5.809 447 HG2 GLN 61 HG2 GLN 61 -7.927 -2.875 -8.060 448 HG3 GLN 61 HG3 GLN 61 -9.063 -4.142 -7.600 449 HE21 GLN 61 HE21 GLN 61 -10.509 -3.516 -9.209 450 HE22 GLN 61 HE22 GLN 61 -11.473 -2.090 -9.069 451 H ALA 62 H ALA 62 -5.890 -3.079 -7.647 452 HA ALA 62 HA ALA 62 -3.535 -2.131 -6.247 453 HB1 ALA 62 HB1 ALA 62 -2.884 -1.556 -8.713 454 HB2 ALA 62 HB2 ALA 62 -2.896 -3.232 -8.162 455 HB3 ALA 62 HB3 ALA 62 -4.247 -2.603 -9.105 456 H LYS 63 H LYS 63 -5.342 -0.542 -5.292 457 HA LYS 63 HA LYS 63 -6.386 1.617 -6.525 458 HB2 LYS 63 HB2 LYS 63 -6.652 1.362 -4.162 459 HB3 LYS 63 HB3 LYS 63 -4.922 1.515 -3.888 460 HG2 LYS 63 HG2 LYS 63 -6.197 3.529 -3.257 461 HG3 LYS 63 HG3 LYS 63 -4.973 3.838 -4.492 462 HD2 LYS 63 HD2 LYS 63 -7.010 4.998 -5.072 463 HD3 LYS 63 HD3 LYS 63 -6.736 3.687 -6.221 464 HE2 LYS 63 HE2 LYS 63 -9.041 3.638 -5.660 465 HE3 LYS 63 HE3 LYS 63 -8.286 2.283 -4.823 466 HZ1 LYS 63 HZ1 LYS 63 -9.537 4.658 -3.741 467 HZ2 LYS 63 HZ2 LYS 63 -8.092 4.211 -2.985 468 HZ3 LYS 63 HZ3 LYS 63 -9.378 3.115 -3.067 469 H LYS 64 H LYS 64 -2.999 1.351 -5.477 470 HA LYS 64 HA LYS 64 -2.346 3.517 -7.365 471 HB2 LYS 64 HB2 LYS 64 -2.109 3.723 -4.650 472 HB3 LYS 64 HB3 LYS 64 -0.506 3.154 -5.096 473 HG2 LYS 64 HG2 LYS 64 -0.040 5.308 -5.425 474 HG3 LYS 64 HG3 LYS 64 -0.938 5.125 -6.934 475 HD2 LYS 64 HD2 LYS 64 -2.160 5.970 -4.309 476 HD3 LYS 64 HD3 LYS 64 -1.648 7.085 -5.578 477 HE2 LYS 64 HE2 LYS 64 -3.186 5.703 -7.111 478 HE3 LYS 64 HE3 LYS 64 -3.877 5.078 -5.615 479 HZ1 LYS 64 HZ1 LYS 64 -5.205 6.857 -5.800 480 HZ2 LYS 64 HZ2 LYS 64 -4.150 7.692 -6.825 481 HZ3 LYS 64 HZ3 LYS 64 -3.896 7.712 -5.152 482 H VAL 65 H VAL 65 -1.608 2.299 -9.040 483 HA VAL 65 HA VAL 65 0.440 0.270 -8.492 484 HB VAL 65 HB VAL 65 -1.690 0.449 -10.402 485 HG11 VAL 65 HG11 VAL 65 1.061 0.107 -11.591 486 HG12 VAL 65 HG12 VAL 65 -0.460 -0.221 -12.424 487 HG13 VAL 65 HG13 VAL 65 -0.065 1.423 -11.920 488 HG21 VAL 65 HG21 VAL 65 -0.904 -1.475 -8.932 489 HG22 VAL 65 HG22 VAL 65 -1.363 -1.873 -10.588 490 HG23 VAL 65 HG23 VAL 65 0.341 -1.751 -10.150 491 H ARG 66 H ARG 66 2.481 0.382 -9.337 492 HA ARG 66 HA ARG 66 3.163 2.739 -10.952 493 HB2 ARG 66 HB2 ARG 66 4.793 1.766 -8.600 494 HB3 ARG 66 HB3 ARG 66 5.142 3.157 -9.617 495 HG2 ARG 66 HG2 ARG 66 2.698 3.844 -8.779 496 HG3 ARG 66 HG3 ARG 66 3.211 2.858 -7.408 497 HD2 ARG 66 HD2 ARG 66 3.998 4.911 -6.763 498 HD3 ARG 66 HD3 ARG 66 5.407 4.280 -7.615 499 HE ARG 66 HE ARG 66 3.882 5.648 -9.482 500 HH11 ARG 66 HH11 ARG 66 5.616 6.353 -6.548 501 HH12 ARG 66 HH12 ARG 66 5.985 7.984 -7.003 502 HH21 ARG 66 HH21 ARG 66 4.360 7.792 -10.094 503 HH22 ARG 66 HH22 ARG 66 5.269 8.802 -9.020 504 H ARG 67 H ARG 67 5.263 2.540 -12.051 505 HA ARG 67 HA ARG 67 5.642 -0.200 -12.979 506 HB2 ARG 67 HB2 ARG 67 5.326 1.502 -14.684 507 HB3 ARG 67 HB3 ARG 67 6.672 2.434 -14.043 508 HG2 ARG 67 HG2 ARG 67 8.247 0.809 -14.750 509 HG3 ARG 67 HG3 ARG 67 6.973 -0.350 -15.132 510 HD2 ARG 67 HD2 ARG 67 7.996 0.827 -17.107 511 HD3 ARG 67 HD3 ARG 67 6.240 0.933 -16.985 512 HE ARG 67 HE ARG 67 7.458 3.159 -15.731 513 HH11 ARG 67 HH11 ARG 67 6.744 1.826 -18.867 514 HH12 ARG 67 HH12 ARG 67 6.684 3.368 -19.653 515 HH21 ARG 67 HH21 ARG 67 7.382 5.196 -16.755 516 HH22 ARG 67 HH22 ARG 67 7.048 5.284 -18.451 517 H ILE 68 H ILE 68 7.444 -1.379 -12.651 518 HA ILE 68 HA ILE 68 9.799 -0.076 -11.487 519 HB ILE 68 HB ILE 68 8.502 -2.558 -10.354 520 HG12 ILE 68 HG12 ILE 68 7.854 0.063 -9.857 521 HG13 ILE 68 HG13 ILE 68 7.585 -1.273 -8.744 522 HG21 ILE 68 HG21 ILE 68 10.310 -2.381 -8.639 523 HG22 ILE 68 HG22 ILE 68 10.872 -2.819 -10.251 524 HG23 ILE 68 HG23 ILE 68 11.084 -1.170 -9.662 525 HD11 ILE 68 HD11 ILE 68 9.587 -0.780 -7.557 526 HD12 ILE 68 HD12 ILE 68 10.078 0.404 -8.769 527 HD13 ILE 68 HD13 ILE 68 8.681 0.722 -7.741 Start of MODEL 14 1 H1 MET 1 H MET 1 1.281 -0.540 -3.075 2 HA MET 1 HA MET 1 2.357 0.301 -0.465 3 HB2 MET 1 HB2 MET 1 -0.130 -0.167 -0.499 4 HB3 MET 1 HB3 MET 1 0.269 -1.841 -0.859 5 HG2 MET 1 HG2 MET 1 -0.050 -1.842 1.431 6 HG3 MET 1 HG3 MET 1 1.702 -1.748 1.262 7 HE1 MET 1 HE1 MET 1 -0.952 0.887 3.611 8 HE2 MET 1 HE2 MET 1 -1.350 -0.575 2.709 9 HE3 MET 1 HE3 MET 1 -0.209 -0.650 4.053 10 H LYS 2 H LYS 2 1.924 -2.379 -2.736 11 HA LYS 2 HA LYS 2 4.345 -3.619 -1.602 12 HB2 LYS 2 HB2 LYS 2 2.009 -5.072 -2.856 13 HB3 LYS 2 HB3 LYS 2 3.437 -5.809 -2.141 14 HG2 LYS 2 HG2 LYS 2 1.486 -4.113 -0.603 15 HG3 LYS 2 HG3 LYS 2 1.394 -5.873 -0.714 16 HD2 LYS 2 HD2 LYS 2 3.862 -5.789 0.099 17 HD3 LYS 2 HD3 LYS 2 3.445 -4.161 0.638 18 HE2 LYS 2 HE2 LYS 2 1.687 -6.470 1.354 19 HE3 LYS 2 HE3 LYS 2 3.172 -6.183 2.260 20 HZ1 LYS 2 HZ1 LYS 2 1.279 -5.106 3.299 21 HZ2 LYS 2 HZ2 LYS 2 0.969 -4.226 1.888 22 HZ3 LYS 2 HZ3 LYS 2 2.392 -3.952 2.760 23 H LYS 3 H LYS 3 5.828 -4.501 -3.037 24 HA LYS 3 HA LYS 3 5.417 -3.762 -5.860 25 HB2 LYS 3 HB2 LYS 3 8.093 -4.098 -4.512 26 HB3 LYS 3 HB3 LYS 3 7.750 -3.343 -6.062 27 HG2 LYS 3 HG2 LYS 3 6.657 -1.492 -4.967 28 HG3 LYS 3 HG3 LYS 3 6.858 -2.269 -3.394 29 HD2 LYS 3 HD2 LYS 3 9.370 -2.240 -3.925 30 HD3 LYS 3 HD3 LYS 3 8.952 -1.080 -5.188 31 HE2 LYS 3 HE2 LYS 3 7.782 0.256 -3.384 32 HE3 LYS 3 HE3 LYS 3 8.556 -0.814 -2.216 33 HZ1 LYS 3 HZ1 LYS 3 10.289 0.543 -2.309 34 HZ2 LYS 3 HZ2 LYS 3 9.647 1.406 -3.614 35 HZ3 LYS 3 HZ3 LYS 3 10.570 0.016 -3.891 36 H GLY 4 H GLY 4 5.627 -5.293 -7.395 37 HA2 GLY 4 HA2 GLY 4 7.143 -7.691 -7.006 38 HA3 GLY 4 HA3 GLY 4 5.414 -7.980 -6.873 39 H THR 5 H THR 5 6.670 -9.317 -8.800 40 HA THR 5 HA THR 5 6.716 -7.885 -11.292 41 HB THR 5 HB THR 5 6.808 -10.352 -12.190 42 HG1 THR 5 HG1 THR 5 6.249 -11.035 -9.887 43 HG21 THR 5 HG21 THR 5 9.010 -9.971 -12.383 44 HG22 THR 5 HG22 THR 5 9.239 -9.900 -10.636 45 HG23 THR 5 HG23 THR 5 8.694 -8.471 -11.512 46 H VAL 6 H VAL 6 5.216 -7.879 -12.910 47 HA VAL 6 HA VAL 6 2.503 -8.480 -12.174 48 HB VAL 6 HB VAL 6 3.166 -6.488 -13.547 49 HG11 VAL 6 HG11 VAL 6 4.079 -6.640 -15.601 50 HG12 VAL 6 HG12 VAL 6 4.599 -8.229 -15.036 51 HG13 VAL 6 HG13 VAL 6 3.146 -8.075 -16.024 52 HG21 VAL 6 HG21 VAL 6 1.290 -7.069 -15.350 53 HG22 VAL 6 HG22 VAL 6 1.015 -8.406 -14.234 54 HG23 VAL 6 HG23 VAL 6 0.910 -6.743 -13.659 55 H LYS 7 H LYS 7 1.328 -10.218 -12.687 56 HA LYS 7 HA LYS 7 2.586 -12.470 -13.928 57 HB2 LYS 7 HB2 LYS 7 0.670 -12.274 -12.071 58 HB3 LYS 7 HB3 LYS 7 -0.356 -12.438 -13.490 59 HG2 LYS 7 HG2 LYS 7 0.938 -14.506 -14.069 60 HG3 LYS 7 HG3 LYS 7 1.718 -14.371 -12.491 61 HD2 LYS 7 HD2 LYS 7 -1.218 -14.203 -12.450 62 HD3 LYS 7 HD3 LYS 7 -0.565 -15.761 -12.965 63 HE2 LYS 7 HE2 LYS 7 0.939 -14.916 -10.726 64 HE3 LYS 7 HE3 LYS 7 -0.762 -14.673 -10.332 65 HZ1 LYS 7 HZ1 LYS 7 -0.964 -17.065 -11.325 66 HZ2 LYS 7 HZ2 LYS 7 -0.482 -16.838 -9.720 67 HZ3 LYS 7 HZ3 LYS 7 0.674 -17.162 -10.911 68 H TRP 8 H TRP 8 0.017 -10.212 -14.840 69 HA TRP 8 HA TRP 8 0.579 -10.428 -17.599 70 HB2 TRP 8 HB2 TRP 8 -1.321 -11.632 -18.414 71 HB3 TRP 8 HB3 TRP 8 -0.554 -12.641 -17.191 72 HD1 TRP 8 HD1 TRP 8 -3.467 -10.064 -17.305 73 HE1 TRP 8 HE1 TRP 8 -5.336 -10.925 -15.759 74 HE3 TRP 8 HE3 TRP 8 -1.186 -14.289 -15.548 75 HZ2 TRP 8 HZ2 TRP 8 -5.784 -13.106 -14.024 76 HZ3 TRP 8 HZ3 TRP 8 -2.403 -15.707 -13.948 77 HH2 TRP 8 HH2 TRP 8 -4.654 -15.126 -13.202 78 H PHE 9 H PHE 9 -0.565 -8.921 -18.837 79 HA PHE 9 HA PHE 9 -2.573 -7.306 -17.437 80 HB2 PHE 9 HB2 PHE 9 -0.249 -6.286 -17.256 81 HB3 PHE 9 HB3 PHE 9 -0.319 -6.045 -18.998 82 HD1 PHE 9 HD2 PHE 9 -1.667 -5.008 -15.760 83 HD2 PHE 9 HD1 PHE 9 -1.763 -4.381 -19.969 84 HE1 PHE 9 HE2 PHE 9 -2.858 -2.883 -15.413 85 HE2 PHE 9 HE1 PHE 9 -2.953 -2.255 -19.628 86 HZ PHE 9 HZ PHE 9 -3.504 -1.504 -17.348 87 H ASN 10 H ASN 10 -4.306 -7.685 -18.680 88 HA ASN 10 HA ASN 10 -4.065 -7.893 -21.560 89 HB2 ASN 10 HB2 ASN 10 -5.632 -9.266 -19.997 90 HB3 ASN 10 HB3 ASN 10 -6.677 -7.851 -20.078 91 HD21 ASN 10 HD21 ASN 10 -8.222 -8.081 -21.505 92 HD22 ASN 10 HD22 ASN 10 -8.100 -8.891 -23.027 93 H ALA 11 H ALA 11 -3.576 -5.898 -22.376 94 HA ALA 11 HA ALA 11 -4.752 -3.472 -21.535 95 HB1 ALA 11 HB1 ALA 11 -3.405 -4.160 -24.144 96 HB2 ALA 11 HB2 ALA 11 -3.791 -2.529 -23.594 97 HB3 ALA 11 HB3 ALA 11 -2.628 -3.508 -22.700 98 H GLU 12 H GLU 12 -5.813 -5.967 -23.675 99 HA GLU 12 HA GLU 12 -7.572 -4.521 -25.312 100 HB2 GLU 12 HB2 GLU 12 -7.467 -7.383 -24.409 101 HB3 GLU 12 HB3 GLU 12 -8.812 -6.803 -25.380 102 HG2 GLU 12 HG2 GLU 12 -7.470 -6.392 -27.227 103 HG3 GLU 12 HG3 GLU 12 -5.991 -6.366 -26.268 104 H LYS 13 H LYS 13 -7.943 -5.844 -22.079 105 HA LYS 13 HA LYS 13 -10.714 -4.887 -21.984 106 HB2 LYS 13 HB2 LYS 13 -9.137 -6.831 -20.323 107 HB3 LYS 13 HB3 LYS 13 -10.617 -6.115 -19.698 108 HG2 LYS 13 HG2 LYS 13 -10.393 -7.707 -22.245 109 HG3 LYS 13 HG3 LYS 13 -10.997 -8.315 -20.701 110 HD2 LYS 13 HD2 LYS 13 -12.589 -6.201 -20.932 111 HD3 LYS 13 HD3 LYS 13 -12.262 -6.461 -22.647 112 HE2 LYS 13 HE2 LYS 13 -12.858 -8.927 -22.138 113 HE3 LYS 13 HE3 LYS 13 -13.603 -8.278 -20.678 114 HZ1 LYS 13 HZ1 LYS 13 -15.160 -8.509 -22.555 115 HZ2 LYS 13 HZ2 LYS 13 -14.255 -7.381 -23.432 116 HZ3 LYS 13 HZ3 LYS 13 -15.035 -6.914 -22.005 117 H GLY 14 H GLY 14 -7.569 -4.518 -20.434 118 HA2 GLY 14 HA2 GLY 14 -6.854 -2.399 -19.592 119 HA3 GLY 14 HA3 GLY 14 -8.534 -1.997 -19.271 120 H TYR 15 H TYR 15 -7.081 -5.065 -18.406 121 HA TYR 15 HA TYR 15 -6.892 -4.238 -15.606 122 HB2 TYR 15 HB2 TYR 15 -8.283 -5.955 -14.783 123 HB3 TYR 15 HB3 TYR 15 -9.181 -5.256 -16.126 124 HD1 TYR 15 HD1 TYR 15 -8.435 -6.461 -18.490 125 HD2 TYR 15 HD2 TYR 15 -8.444 -8.242 -14.625 126 HE1 TYR 15 HE1 TYR 15 -8.632 -8.685 -19.521 127 HE2 TYR 15 HE2 TYR 15 -8.639 -10.471 -15.646 128 HH TYR 15 HH TYR 15 -9.360 -11.497 -17.701 129 H GLY 16 H GLY 16 -6.050 -6.228 -14.277 130 HA2 GLY 16 HA2 GLY 16 -4.533 -8.234 -15.521 131 HA3 GLY 16 HA3 GLY 16 -3.487 -6.847 -15.254 132 H PHE 17 H PHE 17 -2.548 -8.849 -13.993 133 HA PHE 17 HA PHE 17 -3.347 -8.456 -11.197 134 HB2 PHE 17 HB2 PHE 17 -2.967 -11.088 -12.614 135 HB3 PHE 17 HB3 PHE 17 -2.821 -10.945 -10.865 136 HD1 PHE 17 HD1 PHE 17 -5.139 -10.499 -13.708 137 HD2 PHE 17 HD2 PHE 17 -4.722 -10.865 -9.488 138 HE1 PHE 17 HE1 PHE 17 -7.579 -10.733 -13.491 139 HE2 PHE 17 HE2 PHE 17 -7.161 -11.100 -9.264 140 HZ PHE 17 HZ PHE 17 -8.593 -11.033 -11.267 141 H ILE 18 H ILE 18 -1.686 -8.514 -9.707 142 HA ILE 18 HA ILE 18 1.029 -8.698 -10.841 143 HB ILE 18 HB ILE 18 0.076 -6.945 -8.574 144 HG12 ILE 18 HG12 ILE 18 1.324 -5.896 -11.073 145 HG13 ILE 18 HG13 ILE 18 -0.352 -6.430 -11.147 146 HG21 ILE 18 HG21 ILE 18 2.255 -7.495 -7.987 147 HG22 ILE 18 HG22 ILE 18 2.799 -7.545 -9.663 148 HG23 ILE 18 HG23 ILE 18 2.455 -5.996 -8.894 149 HD11 ILE 18 HD11 ILE 18 -0.487 -4.895 -8.968 150 HD12 ILE 18 HD12 ILE 18 0.838 -4.090 -9.810 151 HD13 ILE 18 HD13 ILE 18 -0.726 -4.278 -10.603 152 H GLN 19 H GLN 19 2.644 -9.676 -9.608 153 HA GLN 19 HA GLN 19 1.648 -11.341 -7.394 154 HB2 GLN 19 HB2 GLN 19 3.948 -11.848 -9.289 155 HB3 GLN 19 HB3 GLN 19 3.487 -12.897 -7.955 156 HG2 GLN 19 HG2 GLN 19 2.090 -12.402 -10.542 157 HG3 GLN 19 HG3 GLN 19 2.516 -13.929 -9.770 158 HE21 GLN 19 HE21 GLN 19 0.086 -11.682 -10.325 159 HE22 GLN 19 HE22 GLN 19 -1.087 -12.292 -9.214 160 H GLN 20 H GLN 20 2.243 -10.578 -5.480 161 HA GLN 20 HA GLN 20 4.831 -9.209 -5.238 162 HB2 GLN 20 HB2 GLN 20 3.941 -8.232 -3.175 163 HB3 GLN 20 HB3 GLN 20 2.896 -7.886 -4.547 164 HG2 GLN 20 HG2 GLN 20 1.232 -9.310 -3.810 165 HG3 GLN 20 HG3 GLN 20 2.334 -10.231 -2.787 166 HE21 GLN 20 HE21 GLN 20 3.536 -8.442 -1.253 167 HE22 GLN 20 HE22 GLN 20 2.403 -7.555 -0.298 168 H GLU 21 H GLU 21 5.276 -9.407 -2.551 169 HA GLU 21 HA GLU 21 6.374 -12.028 -2.341 170 HB2 GLU 21 HB2 GLU 21 6.160 -9.810 -0.299 171 HB3 GLU 21 HB3 GLU 21 7.095 -11.282 -0.081 172 HG2 GLU 21 HG2 GLU 21 8.278 -10.575 -2.264 173 HG3 GLU 21 HG3 GLU 21 7.597 -8.985 -1.923 174 H GLU 22 H GLU 22 3.451 -10.515 -1.245 175 HA GLU 22 HA GLU 22 2.695 -12.026 0.915 176 HB2 GLU 22 HB2 GLU 22 1.178 -10.746 -1.315 177 HB3 GLU 22 HB3 GLU 22 0.311 -11.806 -0.212 178 HG2 GLU 22 HG2 GLU 22 2.031 -9.784 1.054 179 HG3 GLU 22 HG3 GLU 22 0.636 -9.165 0.172 180 H GLY 23 H GLY 23 1.358 -12.763 -2.300 181 HA2 GLY 23 HA2 GLY 23 2.216 -15.288 -2.758 182 HA3 GLY 23 HA3 GLY 23 0.977 -15.523 -1.534 183 HA PRO 24 HA PRO 24 -2.257 -15.321 -4.484 184 HB2 PRO 24 HB2 PRO 24 -4.042 -13.538 -3.482 185 HB3 PRO 24 HB3 PRO 24 -3.780 -15.136 -2.775 186 HG2 PRO 24 HG2 PRO 24 -2.692 -12.483 -1.915 187 HG3 PRO 24 HG3 PRO 24 -3.349 -13.798 -0.923 188 HD2 PRO 24 HD2 PRO 24 -0.689 -13.390 -1.226 189 HD3 PRO 24 HD3 PRO 24 -1.388 -15.007 -1.003 190 H ASP 25 H ASP 25 -3.422 -14.019 -6.075 191 HA ASP 25 HA ASP 25 -1.743 -11.946 -7.151 192 HB2 ASP 25 HB2 ASP 25 -4.454 -12.623 -8.245 193 HB3 ASP 25 HB3 ASP 25 -2.999 -12.129 -9.107 194 H VAL 26 H VAL 26 -2.839 -9.917 -8.039 195 HA VAL 26 HA VAL 26 -4.759 -8.851 -6.076 196 HB VAL 26 HB VAL 26 -2.209 -8.084 -5.993 197 HG11 VAL 26 HG11 VAL 26 -3.303 -5.915 -7.732 198 HG12 VAL 26 HG12 VAL 26 -1.626 -6.316 -7.355 199 HG13 VAL 26 HG13 VAL 26 -2.548 -7.329 -8.466 200 HG21 VAL 26 HG21 VAL 26 -3.755 -7.287 -4.402 201 HG22 VAL 26 HG22 VAL 26 -3.068 -5.845 -5.152 202 HG23 VAL 26 HG23 VAL 26 -4.674 -6.403 -5.620 203 H PHE 27 H PHE 27 -6.170 -7.224 -6.830 204 HA PHE 27 HA PHE 27 -6.786 -7.462 -9.648 205 HB2 PHE 27 HB2 PHE 27 -8.371 -7.267 -7.471 206 HB3 PHE 27 HB3 PHE 27 -8.325 -5.576 -7.960 207 HD1 PHE 27 HD1 PHE 27 -8.559 -8.842 -9.758 208 HD2 PHE 27 HD2 PHE 27 -10.178 -4.953 -9.143 209 HE1 PHE 27 HE1 PHE 27 -10.278 -9.292 -11.459 210 HE2 PHE 27 HE2 PHE 27 -11.901 -5.398 -10.843 211 HZ PHE 27 HZ PHE 27 -11.952 -7.569 -12.004 212 H VAL 28 H VAL 28 -5.903 -6.174 -11.111 213 HA VAL 28 HA VAL 28 -5.345 -3.376 -10.374 214 HB VAL 28 HB VAL 28 -3.248 -3.422 -11.195 215 HG11 VAL 28 HG11 VAL 28 -3.193 -5.235 -9.609 216 HG12 VAL 28 HG12 VAL 28 -3.723 -6.379 -10.843 217 HG13 VAL 28 HG13 VAL 28 -2.135 -5.622 -10.965 218 HG21 VAL 28 HG21 VAL 28 -3.822 -3.652 -13.487 219 HG22 VAL 28 HG22 VAL 28 -2.570 -4.849 -13.157 220 HG23 VAL 28 HG23 VAL 28 -4.257 -5.348 -13.278 221 H HIS 29 H HIS 29 -5.831 -1.813 -11.873 222 HA HIS 29 HA HIS 29 -6.836 -2.638 -14.490 223 HB2 HIS 29 HB2 HIS 29 -8.450 -1.422 -12.309 224 HB3 HIS 29 HB3 HIS 29 -8.729 -0.824 -13.942 225 HD1 HIS 29 HD1 HIS 29 -10.481 -2.056 -15.160 226 HD2 HIS 29 HD2 HIS 29 -8.630 -4.440 -12.305 227 HE1 HIS 29 HE1 HIS 29 -11.679 -4.265 -15.250 228 H PHE 30 H PHE 30 -7.064 -0.845 -15.996 229 HA PHE 30 HA PHE 30 -4.860 0.877 -15.971 230 HB2 PHE 30 HB2 PHE 30 -5.705 1.783 -17.989 231 HB3 PHE 30 HB3 PHE 30 -6.231 0.103 -17.977 232 HD1 PHE 30 HD1 PHE 30 -7.291 3.592 -17.677 233 HD2 PHE 30 HD2 PHE 30 -8.557 -0.472 -17.749 234 HE1 PHE 30 HE1 PHE 30 -9.619 4.325 -17.990 235 HE2 PHE 30 HE2 PHE 30 -10.886 0.256 -18.063 236 HZ PHE 30 HZ PHE 30 -11.420 2.657 -18.183 237 H THR 31 H THR 31 -7.942 1.170 -14.505 238 HA THR 31 HA THR 31 -7.859 4.057 -14.290 239 HB THR 31 HB THR 31 -10.030 2.940 -14.498 240 HG1 THR 31 HG1 THR 31 -10.967 4.286 -13.086 241 HG21 THR 31 HG21 THR 31 -10.408 1.948 -11.870 242 HG22 THR 31 HG22 THR 31 -8.942 1.208 -12.512 243 HG23 THR 31 HG23 THR 31 -10.463 1.058 -13.391 244 H ALA 32 H ALA 32 -6.183 1.679 -12.819 245 HA ALA 32 HA ALA 32 -6.070 3.122 -10.250 246 HB1 ALA 32 HB1 ALA 32 -6.724 0.500 -10.583 247 HB2 ALA 32 HB2 ALA 32 -4.990 0.400 -10.274 248 HB3 ALA 32 HB3 ALA 32 -6.050 1.193 -9.108 249 H ILE 33 H ILE 33 -4.343 2.040 -13.012 250 HA ILE 33 HA ILE 33 -1.722 2.004 -11.971 251 HB ILE 33 HB ILE 33 -2.760 2.473 -14.760 252 HG12 ILE 33 HG12 ILE 33 -1.078 0.151 -13.945 253 HG13 ILE 33 HG13 ILE 33 -2.748 0.188 -13.388 254 HG21 ILE 33 HG21 ILE 33 -0.332 2.022 -15.413 255 HG22 ILE 33 HG22 ILE 33 -0.724 3.626 -14.796 256 HG23 ILE 33 HG23 ILE 33 0.065 2.448 -13.748 257 HD11 ILE 33 HD11 ILE 33 -1.813 -0.740 -15.828 258 HD12 ILE 33 HD12 ILE 33 -3.493 -0.454 -15.370 259 HD13 ILE 33 HD13 ILE 33 -2.577 0.806 -16.196 260 H GLU 34 H GLU 34 -0.396 3.592 -11.381 261 HA GLU 34 HA GLU 34 -1.219 6.357 -11.912 262 HB2 GLU 34 HB2 GLU 34 0.853 5.379 -9.943 263 HB3 GLU 34 HB3 GLU 34 0.162 6.993 -10.041 264 HG2 GLU 34 HG2 GLU 34 -1.933 5.069 -9.741 265 HG3 GLU 34 HG3 GLU 34 -0.714 4.827 -8.490 266 H ALA 35 H ALA 35 -0.425 6.493 -14.041 267 HA ALA 35 HA ALA 35 2.504 6.736 -14.188 268 HB1 ALA 35 HB1 ALA 35 0.856 4.906 -15.639 269 HB2 ALA 35 HB2 ALA 35 1.589 6.053 -16.762 270 HB3 ALA 35 HB3 ALA 35 2.609 5.101 -15.682 271 H ASP 36 H ASP 36 3.223 8.116 -16.020 272 HA ASP 36 HA ASP 36 1.549 10.487 -16.147 273 HB2 ASP 36 HB2 ASP 36 4.098 10.428 -15.695 274 HB3 ASP 36 HB3 ASP 36 4.252 10.211 -17.436 275 H GLY 37 H GLY 37 -0.062 9.346 -17.506 276 HA2 GLY 37 HA2 GLY 37 -0.779 10.009 -19.798 277 HA3 GLY 37 HA3 GLY 37 0.762 9.363 -20.345 278 H PHE 38 H PHE 38 -0.601 8.079 -21.791 279 HA PHE 38 HA PHE 38 -2.041 5.887 -20.499 280 HB2 PHE 38 HB2 PHE 38 -2.961 5.401 -22.678 281 HB3 PHE 38 HB3 PHE 38 -3.108 7.130 -22.380 282 HD1 PHE 38 HD2 PHE 38 -1.649 8.719 -23.557 283 HD2 PHE 38 HD1 PHE 38 -1.599 4.554 -24.435 284 HE1 PHE 38 HE2 PHE 38 -0.485 9.183 -25.675 285 HE2 PHE 38 HE1 PHE 38 -0.434 5.011 -26.554 286 HZ PHE 38 HZ PHE 38 0.123 7.328 -27.177 287 H ARG 39 H ARG 39 -1.270 3.872 -20.380 288 HA ARG 39 HA ARG 39 0.530 2.728 -22.243 289 HB2 ARG 39 HB2 ARG 39 1.689 4.197 -20.017 290 HB3 ARG 39 HB3 ARG 39 2.180 2.508 -20.013 291 HG2 ARG 39 HG2 ARG 39 2.581 3.061 -22.597 292 HG3 ARG 39 HG3 ARG 39 2.827 4.670 -21.914 293 HD2 ARG 39 HD2 ARG 39 4.953 3.838 -21.764 294 HD3 ARG 39 HD3 ARG 39 4.316 3.350 -20.194 295 HE ARG 39 HE ARG 39 4.601 1.183 -20.831 296 HH11 ARG 39 HH11 ARG 39 4.405 3.155 -23.693 297 HH12 ARG 39 HH12 ARG 39 4.731 1.843 -24.777 298 HH21 ARG 39 HH21 ARG 39 5.031 -0.552 -22.248 299 HH22 ARG 39 HH22 ARG 39 5.086 -0.265 -23.954 300 H THR 40 H THR 40 1.611 0.672 -21.062 301 HA THR 40 HA THR 40 -0.338 -0.512 -19.222 302 HB THR 40 HB THR 40 -0.547 -2.539 -20.496 303 HG1 THR 40 HG1 THR 40 0.606 -2.913 -22.338 304 HG21 THR 40 HG21 THR 40 -0.943 -0.146 -22.298 305 HG22 THR 40 HG22 THR 40 -2.091 -0.742 -21.099 306 HG23 THR 40 HG23 THR 40 -1.696 -1.727 -22.507 307 H LEU 41 H LEU 41 0.576 -2.985 -18.906 308 HA LEU 41 HA LEU 41 3.356 -2.594 -18.023 309 HB2 LEU 41 HB2 LEU 41 1.197 -4.410 -16.964 310 HB3 LEU 41 HB3 LEU 41 2.868 -4.420 -16.404 311 HG LEU 41 HG LEU 41 1.678 -3.208 -14.788 312 HD11 LEU 41 HD11 LEU 41 2.732 -1.124 -14.786 313 HD12 LEU 41 HD12 LEU 41 2.684 -0.994 -16.544 314 HD13 LEU 41 HD13 LEU 41 3.783 -2.139 -15.775 315 HD21 LEU 41 HD21 LEU 41 -0.265 -2.219 -15.198 316 HD22 LEU 41 HD22 LEU 41 -0.076 -2.628 -16.903 317 HD23 LEU 41 HD23 LEU 41 0.502 -1.075 -16.298 318 H ASN 42 H ASN 42 4.678 -4.616 -17.932 319 HA ASN 42 HA ASN 42 4.056 -6.372 -20.216 320 HB2 ASN 42 HB2 ASN 42 6.867 -5.727 -19.364 321 HB3 ASN 42 HB3 ASN 42 6.301 -6.354 -20.909 322 HD21 ASN 42 HD21 ASN 42 5.302 -4.941 -22.376 323 HD22 ASN 42 HD22 ASN 42 5.531 -3.232 -22.275 324 H GLU 43 H GLU 43 3.966 -8.477 -19.784 325 HA GLU 43 HA GLU 43 4.085 -9.537 -17.228 326 HB2 GLU 43 HB2 GLU 43 2.941 -10.685 -19.030 327 HB3 GLU 43 HB3 GLU 43 4.458 -10.927 -19.885 328 HG2 GLU 43 HG2 GLU 43 5.231 -12.298 -17.939 329 HG3 GLU 43 HG3 GLU 43 3.592 -12.191 -17.300 330 H GLY 44 H GLY 44 5.715 -9.925 -15.890 331 HA2 GLY 44 HA2 GLY 44 7.781 -11.060 -15.406 332 HA3 GLY 44 HA3 GLY 44 8.329 -10.664 -17.029 333 H GLU 45 H GLU 45 6.908 -7.923 -16.139 334 HA GLU 45 HA GLU 45 9.438 -6.743 -15.294 335 HB2 GLU 45 HB2 GLU 45 8.086 -5.791 -17.194 336 HB3 GLU 45 HB3 GLU 45 6.870 -5.327 -16.012 337 HG2 GLU 45 HG2 GLU 45 8.051 -3.568 -15.295 338 HG3 GLU 45 HG3 GLU 45 9.583 -4.437 -15.369 339 H HIS 46 H HIS 46 9.469 -5.126 -13.577 340 HA HIS 46 HA HIS 46 7.868 -6.012 -11.309 341 HB2 HIS 46 HB2 HIS 46 9.908 -3.875 -10.991 342 HB3 HIS 46 HB3 HIS 46 9.551 -5.255 -9.956 343 HD1 HIS 46 HD1 HIS 46 10.712 -7.508 -10.545 344 HD2 HIS 46 HD2 HIS 46 11.856 -4.305 -12.932 345 HE1 HIS 46 HE1 HIS 46 12.776 -8.277 -11.758 346 H VAL 47 H VAL 47 6.396 -4.783 -10.247 347 HA VAL 47 HA VAL 47 6.143 -1.952 -10.761 348 HB VAL 47 HB VAL 47 3.829 -2.046 -11.551 349 HG11 VAL 47 HG11 VAL 47 5.736 -1.953 -13.148 350 HG12 VAL 47 HG12 VAL 47 5.613 -3.704 -13.327 351 HG13 VAL 47 HG13 VAL 47 4.273 -2.670 -13.823 352 HG21 VAL 47 HG21 VAL 47 2.761 -4.085 -12.193 353 HG22 VAL 47 HG22 VAL 47 4.220 -5.019 -11.863 354 HG23 VAL 47 HG23 VAL 47 3.328 -4.277 -10.534 355 H GLU 48 H GLU 48 5.032 -0.884 -9.166 356 HA GLU 48 HA GLU 48 4.394 -2.464 -6.806 357 HB2 GLU 48 HB2 GLU 48 5.819 -0.403 -6.685 358 HB3 GLU 48 HB3 GLU 48 4.400 0.541 -7.114 359 HG2 GLU 48 HG2 GLU 48 3.282 -0.110 -5.098 360 HG3 GLU 48 HG3 GLU 48 4.576 -1.236 -4.694 361 H PHE 49 H PHE 49 2.438 -2.005 -5.558 362 HA PHE 49 HA PHE 49 0.209 -0.741 -6.850 363 HB2 PHE 49 HB2 PHE 49 -1.194 -2.726 -7.062 364 HB3 PHE 49 HB3 PHE 49 0.259 -2.902 -8.041 365 HD1 PHE 49 HD1 PHE 49 2.114 -4.357 -7.225 366 HD2 PHE 49 HD2 PHE 49 -1.697 -4.241 -5.333 367 HE1 PHE 49 HE1 PHE 49 2.603 -6.498 -6.116 368 HE2 PHE 49 HE2 PHE 49 -1.213 -6.381 -4.220 369 HZ PHE 49 HZ PHE 49 0.939 -7.512 -4.610 370 H GLU 50 H GLU 50 -1.151 0.015 -5.350 371 HA GLU 50 HA GLU 50 -0.763 -0.868 -2.588 372 HB2 GLU 50 HB2 GLU 50 -0.616 1.418 -2.531 373 HB3 GLU 50 HB3 GLU 50 -1.718 1.631 -3.884 374 HG2 GLU 50 HG2 GLU 50 -3.593 1.506 -2.557 375 HG3 GLU 50 HG3 GLU 50 -2.763 0.607 -1.288 376 H VAL 51 H VAL 51 -2.005 -2.615 -2.199 377 HA VAL 51 HA VAL 51 -4.529 -3.117 -3.349 378 HB VAL 51 HB VAL 51 -4.778 -4.877 -1.679 379 HG11 VAL 51 HG11 VAL 51 -2.771 -4.682 -3.578 380 HG12 VAL 51 HG12 VAL 51 -1.948 -5.293 -2.141 381 HG13 VAL 51 HG13 VAL 51 -3.338 -6.158 -2.797 382 HG21 VAL 51 HG21 VAL 51 -2.886 -5.170 -0.012 383 HG22 VAL 51 HG22 VAL 51 -2.455 -3.496 -0.359 384 HG23 VAL 51 HG23 VAL 51 -4.036 -3.876 0.324 385 H GLU 52 H GLU 52 -6.452 -2.267 -2.927 386 HA GLU 52 HA GLU 52 -6.830 -0.858 -0.368 387 HB2 GLU 52 HB2 GLU 52 -7.362 -0.093 -3.097 388 HB3 GLU 52 HB3 GLU 52 -8.850 -0.072 -2.161 389 HG2 GLU 52 HG2 GLU 52 -7.162 1.187 -0.463 390 HG3 GLU 52 HG3 GLU 52 -6.504 1.680 -2.022 391 HA PRO 53 HA PRO 53 -10.118 -3.527 0.772 392 HB2 PRO 53 HB2 PRO 53 -11.856 -1.812 1.960 393 HB3 PRO 53 HB3 PRO 53 -10.321 -2.287 2.696 394 HG2 PRO 53 HG2 PRO 53 -11.003 0.200 1.176 395 HG3 PRO 53 HG3 PRO 53 -10.059 0.023 2.667 396 HD2 PRO 53 HD2 PRO 53 -8.903 0.351 0.240 397 HD3 PRO 53 HD3 PRO 53 -8.153 -0.607 1.533 398 H GLY 54 H GLY 54 -12.282 -0.829 0.420 399 HA2 GLY 54 HA2 GLY 54 -13.922 -2.342 -1.416 400 HA3 GLY 54 HA3 GLY 54 -14.307 -0.778 -0.715 401 H ARG 55 H ARG 55 -11.865 -2.135 -2.936 402 HA ARG 55 HA ARG 55 -12.493 0.051 -4.800 403 HB2 ARG 55 HB2 ARG 55 -10.316 0.331 -3.436 404 HB3 ARG 55 HB3 ARG 55 -9.688 -0.967 -4.443 405 HG2 ARG 55 HG2 ARG 55 -8.981 0.937 -5.544 406 HG3 ARG 55 HG3 ARG 55 -10.449 0.500 -6.421 407 HD2 ARG 55 HD2 ARG 55 -10.965 2.236 -4.143 408 HD3 ARG 55 HD3 ARG 55 -9.878 2.965 -5.324 409 HE ARG 55 HE ARG 55 -12.668 2.574 -5.611 410 HH11 ARG 55 HH11 ARG 55 -9.682 2.482 -7.398 411 HH12 ARG 55 HH12 ARG 55 -10.428 2.855 -8.917 412 HH21 ARG 55 HH21 ARG 55 -13.662 3.065 -7.604 413 HH22 ARG 55 HH22 ARG 55 -12.692 3.188 -9.033 414 H GLY 56 H GLY 56 -11.080 -3.163 -4.352 415 HA2 GLY 56 HA2 GLY 56 -11.497 -3.693 -7.221 416 HA3 GLY 56 HA3 GLY 56 -10.408 -4.593 -6.174 417 H GLY 57 H GLY 57 -12.561 -5.559 -7.925 418 HA2 GLY 57 HA2 GLY 57 -14.902 -6.264 -6.670 419 HA3 GLY 57 HA3 GLY 57 -14.081 -7.283 -7.844 420 H LYS 58 H LYS 58 -11.958 -8.281 -6.715 421 HA LYS 58 HA LYS 58 -12.976 -10.110 -4.789 422 HB2 LYS 58 HB2 LYS 58 -10.129 -9.632 -5.691 423 HB3 LYS 58 HB3 LYS 58 -10.683 -11.018 -4.760 424 HG2 LYS 58 HG2 LYS 58 -11.982 -10.432 -7.373 425 HG3 LYS 58 HG3 LYS 58 -10.378 -11.168 -7.356 426 HD2 LYS 58 HD2 LYS 58 -11.444 -13.122 -7.146 427 HD3 LYS 58 HD3 LYS 58 -11.762 -12.636 -5.480 428 HE2 LYS 58 HE2 LYS 58 -13.897 -13.067 -6.139 429 HE3 LYS 58 HE3 LYS 58 -13.792 -11.379 -6.637 430 HZ1 LYS 58 HZ1 LYS 58 -14.239 -12.019 -8.692 431 HZ2 LYS 58 HZ2 LYS 58 -14.268 -13.645 -8.227 432 HZ3 LYS 58 HZ3 LYS 58 -12.818 -12.936 -8.732 433 H GLY 59 H GLY 59 -11.790 -6.989 -4.493 434 HA2 GLY 59 HA2 GLY 59 -12.063 -6.103 -2.178 435 HA3 GLY 59 HA3 GLY 59 -11.075 -7.462 -1.664 436 HA PRO 60 HA PRO 60 -7.443 -5.050 -2.064 437 HB2 PRO 60 HB2 PRO 60 -5.633 -6.878 -2.931 438 HB3 PRO 60 HB3 PRO 60 -6.270 -6.865 -1.283 439 HG2 PRO 60 HG2 PRO 60 -7.082 -8.558 -3.614 440 HG3 PRO 60 HG3 PRO 60 -6.842 -9.027 -1.921 441 HD2 PRO 60 HD2 PRO 60 -9.297 -8.589 -2.976 442 HD3 PRO 60 HD3 PRO 60 -8.912 -8.243 -1.278 443 H GLN 61 H GLN 61 -7.369 -3.527 -3.607 444 HA GLN 61 HA GLN 61 -6.934 -4.394 -6.389 445 HB2 GLN 61 HB2 GLN 61 -9.071 -2.988 -5.540 446 HB3 GLN 61 HB3 GLN 61 -7.964 -1.664 -5.879 447 HG2 GLN 61 HG2 GLN 61 -7.622 -2.851 -8.150 448 HG3 GLN 61 HG3 GLN 61 -9.127 -3.678 -7.751 449 HE21 GLN 61 HE21 GLN 61 -7.867 -0.364 -7.520 450 HE22 GLN 61 HE22 GLN 61 -9.242 0.390 -8.244 451 H ALA 62 H ALA 62 -5.736 -2.782 -7.729 452 HA ALA 62 HA ALA 62 -3.364 -1.941 -6.287 453 HB1 ALA 62 HB1 ALA 62 -2.702 -1.281 -8.733 454 HB2 ALA 62 HB2 ALA 62 -2.731 -2.974 -8.238 455 HB3 ALA 62 HB3 ALA 62 -4.076 -2.302 -9.159 456 H LYS 63 H LYS 63 -5.116 -0.349 -5.265 457 HA LYS 63 HA LYS 63 -6.095 1.885 -6.459 458 HB2 LYS 63 HB2 LYS 63 -5.813 1.090 -3.882 459 HB3 LYS 63 HB3 LYS 63 -4.674 2.430 -3.925 460 HG2 LYS 63 HG2 LYS 63 -7.614 2.515 -4.554 461 HG3 LYS 63 HG3 LYS 63 -6.784 3.257 -3.185 462 HD2 LYS 63 HD2 LYS 63 -6.843 5.098 -4.490 463 HD3 LYS 63 HD3 LYS 63 -5.419 4.364 -5.232 464 HE2 LYS 63 HE2 LYS 63 -6.570 3.698 -7.102 465 HE3 LYS 63 HE3 LYS 63 -8.111 3.603 -6.252 466 HZ1 LYS 63 HZ1 LYS 63 -6.726 6.011 -7.265 467 HZ2 LYS 63 HZ2 LYS 63 -7.955 6.114 -6.107 468 HZ3 LYS 63 HZ3 LYS 63 -8.284 5.461 -7.633 469 H LYS 64 H LYS 64 -2.752 1.386 -5.400 470 HA LYS 64 HA LYS 64 -1.972 3.679 -7.075 471 HB2 LYS 64 HB2 LYS 64 -1.760 3.593 -4.319 472 HB3 LYS 64 HB3 LYS 64 -0.152 3.126 -4.857 473 HG2 LYS 64 HG2 LYS 64 0.354 5.218 -5.383 474 HG3 LYS 64 HG3 LYS 64 -1.109 5.390 -6.357 475 HD2 LYS 64 HD2 LYS 64 -1.004 5.659 -3.353 476 HD3 LYS 64 HD3 LYS 64 -0.969 7.014 -4.484 477 HE2 LYS 64 HE2 LYS 64 -3.161 5.172 -5.000 478 HE3 LYS 64 HE3 LYS 64 -3.222 5.862 -3.379 479 HZ1 LYS 64 HZ1 LYS 64 -2.684 8.028 -4.837 480 HZ2 LYS 64 HZ2 LYS 64 -4.252 7.534 -4.439 481 HZ3 LYS 64 HZ3 LYS 64 -3.601 7.144 -5.951 482 H VAL 65 H VAL 65 -1.239 2.562 -8.821 483 HA VAL 65 HA VAL 65 0.761 0.455 -8.367 484 HB VAL 65 HB VAL 65 -1.371 0.767 -10.288 485 HG11 VAL 65 HG11 VAL 65 0.292 1.639 -11.793 486 HG12 VAL 65 HG12 VAL 65 1.396 0.319 -11.402 487 HG13 VAL 65 HG13 VAL 65 -0.103 -0.011 -12.272 488 HG21 VAL 65 HG21 VAL 65 -0.707 -1.204 -8.802 489 HG22 VAL 65 HG22 VAL 65 -1.195 -1.565 -10.458 490 HG23 VAL 65 HG23 VAL 65 0.515 -1.555 -10.025 491 H ARG 66 H ARG 66 2.784 0.560 -9.274 492 HA ARG 66 HA ARG 66 3.471 2.992 -10.773 493 HB2 ARG 66 HB2 ARG 66 4.408 2.206 -8.134 494 HB3 ARG 66 HB3 ARG 66 5.737 2.417 -9.266 495 HG2 ARG 66 HG2 ARG 66 3.643 4.521 -9.148 496 HG3 ARG 66 HG3 ARG 66 4.813 4.418 -7.831 497 HD2 ARG 66 HD2 ARG 66 6.577 4.343 -9.717 498 HD3 ARG 66 HD3 ARG 66 5.283 4.970 -10.737 499 HE ARG 66 HE ARG 66 5.699 6.456 -8.305 500 HH11 ARG 66 HH11 ARG 66 6.612 6.075 -11.642 501 HH12 ARG 66 HH12 ARG 66 7.172 7.706 -11.811 502 HH21 ARG 66 HH21 ARG 66 6.432 8.605 -8.514 503 HH22 ARG 66 HH22 ARG 66 7.070 9.144 -10.031 504 H ARG 67 H ARG 67 5.336 2.810 -12.120 505 HA ARG 67 HA ARG 67 5.728 0.093 -13.094 506 HB2 ARG 67 HB2 ARG 67 6.694 1.105 -15.056 507 HB3 ARG 67 HB3 ARG 67 5.199 1.947 -14.668 508 HG2 ARG 67 HG2 ARG 67 6.782 3.582 -13.395 509 HG3 ARG 67 HG3 ARG 67 8.017 2.890 -14.450 510 HD2 ARG 67 HD2 ARG 67 5.709 3.495 -16.010 511 HD3 ARG 67 HD3 ARG 67 6.123 4.910 -15.042 512 HE ARG 67 HE ARG 67 8.012 5.183 -16.310 513 HH11 ARG 67 HH11 ARG 67 6.708 2.003 -16.863 514 HH12 ARG 67 HH12 ARG 67 7.782 1.649 -18.176 515 HH21 ARG 67 HH21 ARG 67 9.431 4.729 -18.037 516 HH22 ARG 67 HH22 ARG 67 9.331 3.199 -18.842 517 H ILE 68 H ILE 68 7.576 -1.041 -12.929 518 HA ILE 68 HA ILE 68 10.003 0.316 -12.003 519 HB ILE 68 HB ILE 68 8.872 -2.171 -10.715 520 HG12 ILE 68 HG12 ILE 68 8.154 0.398 -10.196 521 HG13 ILE 68 HG13 ILE 68 8.137 -0.891 -8.997 522 HG21 ILE 68 HG21 ILE 68 11.483 -0.725 -10.327 523 HG22 ILE 68 HG22 ILE 68 10.835 -1.887 -9.171 524 HG23 ILE 68 HG23 ILE 68 11.235 -2.403 -10.809 525 HD11 ILE 68 HD11 ILE 68 10.506 0.898 -9.442 526 HD12 ILE 68 HD12 ILE 68 9.221 1.254 -8.287 527 HD13 ILE 68 HD13 ILE 68 10.205 -0.196 -8.092 Start of MODEL 15 1 H1 MET 1 H MET 1 1.534 0.276 0.758 2 HA MET 1 HA MET 1 1.621 0.469 -2.178 3 HB2 MET 1 HB2 MET 1 2.422 2.469 -0.985 4 HB3 MET 1 HB3 MET 1 3.614 1.487 -0.144 5 HG2 MET 1 HG2 MET 1 4.895 1.179 -2.049 6 HG3 MET 1 HG3 MET 1 3.561 1.579 -3.129 7 HE1 MET 1 HE1 MET 1 6.478 4.169 -0.928 8 HE2 MET 1 HE2 MET 1 4.968 4.192 -0.017 9 HE3 MET 1 HE3 MET 1 5.758 2.656 -0.377 10 H LYS 2 H LYS 2 1.803 -1.691 -2.692 11 HA LYS 2 HA LYS 2 4.131 -3.121 -1.598 12 HB2 LYS 2 HB2 LYS 2 1.600 -4.157 -2.881 13 HB3 LYS 2 HB3 LYS 2 2.976 -5.175 -2.475 14 HG2 LYS 2 HG2 LYS 2 1.623 -3.481 -0.407 15 HG3 LYS 2 HG3 LYS 2 1.018 -5.083 -0.836 16 HD2 LYS 2 HD2 LYS 2 3.355 -5.941 -0.373 17 HD3 LYS 2 HD3 LYS 2 3.697 -4.359 0.333 18 HE2 LYS 2 HE2 LYS 2 1.229 -5.621 1.294 19 HE3 LYS 2 HE3 LYS 2 2.704 -6.499 1.696 20 HZ1 LYS 2 HZ1 LYS 2 3.590 -4.509 2.711 21 HZ2 LYS 2 HZ2 LYS 2 2.097 -4.890 3.408 22 HZ3 LYS 2 HZ3 LYS 2 2.209 -3.630 2.284 23 H LYS 3 H LYS 3 5.244 -4.597 -3.130 24 HA LYS 3 HA LYS 3 5.150 -3.676 -5.914 25 HB2 LYS 3 HB2 LYS 3 7.739 -4.056 -4.409 26 HB3 LYS 3 HB3 LYS 3 7.533 -3.428 -6.039 27 HG2 LYS 3 HG2 LYS 3 6.360 -1.472 -5.107 28 HG3 LYS 3 HG3 LYS 3 6.665 -2.093 -3.483 29 HD2 LYS 3 HD2 LYS 3 8.807 -1.433 -5.503 30 HD3 LYS 3 HD3 LYS 3 8.292 -0.362 -4.199 31 HE2 LYS 3 HE2 LYS 3 8.819 -2.399 -2.675 32 HE3 LYS 3 HE3 LYS 3 9.769 -2.960 -4.050 33 HZ1 LYS 3 HZ1 LYS 3 10.998 -0.864 -3.983 34 HZ2 LYS 3 HZ2 LYS 3 11.142 -1.713 -2.527 35 HZ3 LYS 3 HZ3 LYS 3 10.112 -0.375 -2.628 36 H GLY 4 H GLY 4 5.314 -5.274 -7.381 37 HA2 GLY 4 HA2 GLY 4 6.717 -7.716 -6.877 38 HA3 GLY 4 HA3 GLY 4 4.976 -7.929 -6.761 39 H THR 5 H THR 5 6.206 -9.388 -8.617 40 HA THR 5 HA THR 5 6.392 -8.075 -11.156 41 HB THR 5 HB THR 5 6.316 -10.549 -11.981 42 HG1 THR 5 HG1 THR 5 5.746 -11.780 -10.324 43 HG21 THR 5 HG21 THR 5 8.660 -10.162 -10.218 44 HG22 THR 5 HG22 THR 5 8.329 -8.876 -11.379 45 HG23 THR 5 HG23 THR 5 8.585 -10.527 -11.941 46 H VAL 6 H VAL 6 5.044 -8.535 -13.007 47 HA VAL 6 HA VAL 6 2.223 -8.748 -12.250 48 HB VAL 6 HB VAL 6 2.975 -6.787 -13.590 49 HG11 VAL 6 HG11 VAL 6 4.082 -6.957 -15.528 50 HG12 VAL 6 HG12 VAL 6 4.419 -8.615 -15.026 51 HG13 VAL 6 HG13 VAL 6 3.062 -8.276 -16.102 52 HG21 VAL 6 HG21 VAL 6 1.213 -7.519 -15.557 53 HG22 VAL 6 HG22 VAL 6 0.787 -8.610 -14.238 54 HG23 VAL 6 HG23 VAL 6 0.771 -6.866 -13.979 55 H LYS 7 H LYS 7 0.957 -10.402 -12.846 56 HA LYS 7 HA LYS 7 2.167 -12.710 -14.065 57 HB2 LYS 7 HB2 LYS 7 -0.032 -12.215 -12.360 58 HB3 LYS 7 HB3 LYS 7 -0.687 -12.946 -13.819 59 HG2 LYS 7 HG2 LYS 7 0.215 -14.951 -13.375 60 HG3 LYS 7 HG3 LYS 7 1.714 -14.255 -12.754 61 HD2 LYS 7 HD2 LYS 7 0.824 -15.167 -10.839 62 HD3 LYS 7 HD3 LYS 7 0.188 -13.523 -10.754 63 HE2 LYS 7 HE2 LYS 7 -1.795 -14.537 -10.472 64 HE3 LYS 7 HE3 LYS 7 -1.734 -14.771 -12.218 65 HZ1 LYS 7 HZ1 LYS 7 -2.250 -16.821 -11.009 66 HZ2 LYS 7 HZ2 LYS 7 -0.763 -16.730 -10.209 67 HZ3 LYS 7 HZ3 LYS 7 -0.809 -16.955 -11.885 68 H TRP 8 H TRP 8 -0.135 -10.228 -15.002 69 HA TRP 8 HA TRP 8 0.351 -10.543 -17.750 70 HB2 TRP 8 HB2 TRP 8 -1.876 -11.424 -18.449 71 HB3 TRP 8 HB3 TRP 8 -0.891 -12.608 -17.594 72 HD1 TRP 8 HD1 TRP 8 -3.714 -10.087 -16.697 73 HE1 TRP 8 HE1 TRP 8 -5.224 -11.195 -14.932 74 HE3 TRP 8 HE3 TRP 8 -1.175 -14.484 -16.102 75 HZ2 TRP 8 HZ2 TRP 8 -5.325 -13.613 -13.479 76 HZ3 TRP 8 HZ3 TRP 8 -2.044 -16.141 -14.504 77 HH2 TRP 8 HH2 TRP 8 -4.076 -15.713 -13.221 78 H PHE 9 H PHE 9 -0.581 -8.907 -18.966 79 HA PHE 9 HA PHE 9 -2.484 -7.137 -17.607 80 HB2 PHE 9 HB2 PHE 9 -0.150 -6.280 -17.287 81 HB3 PHE 9 HB3 PHE 9 -0.017 -6.131 -19.036 82 HD1 PHE 9 HD2 PHE 9 -1.550 -4.778 -16.008 83 HD2 PHE 9 HD1 PHE 9 -1.204 -4.403 -20.233 84 HE1 PHE 9 HE2 PHE 9 -2.548 -2.533 -15.887 85 HE2 PHE 9 HE1 PHE 9 -2.200 -2.156 -20.119 86 HZ PHE 9 HZ PHE 9 -2.875 -1.219 -17.944 87 H ASN 10 H ASN 10 -4.201 -6.985 -18.877 88 HA ASN 10 HA ASN 10 -3.874 -7.249 -21.776 89 HB2 ASN 10 HB2 ASN 10 -5.562 -8.618 -20.352 90 HB3 ASN 10 HB3 ASN 10 -6.523 -7.142 -20.360 91 HD21 ASN 10 HD21 ASN 10 -8.155 -7.602 -21.678 92 HD22 ASN 10 HD22 ASN 10 -7.997 -8.155 -23.307 93 H ALA 11 H ALA 11 -3.764 -5.460 -22.946 94 HA ALA 11 HA ALA 11 -4.648 -2.923 -21.861 95 HB1 ALA 11 HB1 ALA 11 -3.678 -1.997 -23.966 96 HB2 ALA 11 HB2 ALA 11 -2.538 -2.921 -22.986 97 HB3 ALA 11 HB3 ALA 11 -3.247 -3.644 -24.429 98 H GLU 12 H GLU 12 -5.810 -5.332 -24.032 99 HA GLU 12 HA GLU 12 -7.520 -3.735 -25.617 100 HB2 GLU 12 HB2 GLU 12 -7.289 -6.642 -25.001 101 HB3 GLU 12 HB3 GLU 12 -8.785 -6.071 -25.727 102 HG2 GLU 12 HG2 GLU 12 -7.557 -5.160 -27.607 103 HG3 GLU 12 HG3 GLU 12 -6.033 -5.653 -26.871 104 H LYS 13 H LYS 13 -7.771 -4.991 -22.403 105 HA LYS 13 HA LYS 13 -10.565 -4.063 -22.259 106 HB2 LYS 13 HB2 LYS 13 -9.128 -6.219 -20.714 107 HB3 LYS 13 HB3 LYS 13 -10.678 -5.562 -20.207 108 HG2 LYS 13 HG2 LYS 13 -10.564 -6.455 -23.001 109 HG3 LYS 13 HG3 LYS 13 -10.375 -7.728 -21.793 110 HD2 LYS 13 HD2 LYS 13 -12.604 -7.747 -21.663 111 HD3 LYS 13 HD3 LYS 13 -12.462 -6.208 -20.811 112 HE2 LYS 13 HE2 LYS 13 -13.939 -5.665 -22.492 113 HE3 LYS 13 HE3 LYS 13 -12.400 -5.207 -23.220 114 HZ1 LYS 13 HZ1 LYS 13 -14.253 -6.878 -24.310 115 HZ2 LYS 13 HZ2 LYS 13 -13.080 -7.942 -23.717 116 HZ3 LYS 13 HZ3 LYS 13 -12.643 -6.726 -24.808 117 H GLY 14 H GLY 14 -7.442 -4.136 -20.601 118 HA2 GLY 14 HA2 GLY 14 -6.565 -2.213 -19.497 119 HA3 GLY 14 HA3 GLY 14 -8.210 -1.657 -19.227 120 H TYR 15 H TYR 15 -6.549 -4.727 -18.517 121 HA TYR 15 HA TYR 15 -6.884 -4.247 -15.662 122 HB2 TYR 15 HB2 TYR 15 -8.118 -6.232 -15.228 123 HB3 TYR 15 HB3 TYR 15 -8.958 -5.413 -16.541 124 HD1 TYR 15 HD2 TYR 15 -6.830 -8.281 -15.660 125 HD2 TYR 15 HD1 TYR 15 -9.082 -6.389 -18.734 126 HE1 TYR 15 HE2 TYR 15 -6.683 -10.326 -17.019 127 HE2 TYR 15 HE1 TYR 15 -8.942 -8.429 -20.101 128 HH TYR 15 HH TYR 15 -6.803 -10.836 -19.598 129 H GLY 16 H GLY 16 -5.849 -6.042 -14.365 130 HA2 GLY 16 HA2 GLY 16 -3.994 -7.803 -15.605 131 HA3 GLY 16 HA3 GLY 16 -3.181 -6.344 -15.057 132 H PHE 17 H PHE 17 -2.317 -8.607 -13.973 133 HA PHE 17 HA PHE 17 -3.349 -8.457 -11.230 134 HB2 PHE 17 HB2 PHE 17 -3.044 -10.892 -12.935 135 HB3 PHE 17 HB3 PHE 17 -2.726 -11.026 -11.209 136 HD1 PHE 17 HD1 PHE 17 -5.303 -9.726 -13.566 137 HD2 PHE 17 HD2 PHE 17 -4.473 -11.511 -9.793 138 HE1 PHE 17 HE1 PHE 17 -7.717 -9.952 -13.146 139 HE2 PHE 17 HE2 PHE 17 -6.885 -11.741 -9.367 140 HZ PHE 17 HZ PHE 17 -8.511 -10.962 -11.045 141 H ILE 18 H ILE 18 -1.813 -8.341 -9.695 142 HA ILE 18 HA ILE 18 0.979 -8.786 -10.532 143 HB ILE 18 HB ILE 18 -0.017 -6.764 -8.521 144 HG12 ILE 18 HG12 ILE 18 1.347 -6.071 -11.096 145 HG13 ILE 18 HG13 ILE 18 -0.375 -6.434 -11.105 146 HG21 ILE 18 HG21 ILE 18 2.747 -7.367 -9.559 147 HG22 ILE 18 HG22 ILE 18 2.329 -5.952 -8.594 148 HG23 ILE 18 HG23 ILE 18 2.161 -7.568 -7.908 149 HD11 ILE 18 HD11 ILE 18 -0.369 -4.677 -9.124 150 HD12 ILE 18 HD12 ILE 18 1.072 -4.117 -9.974 151 HD13 ILE 18 HD13 ILE 18 -0.475 -4.193 -10.816 152 H GLN 19 H GLN 19 2.391 -9.737 -9.063 153 HA GLN 19 HA GLN 19 1.118 -10.944 -6.695 154 HB2 GLN 19 HB2 GLN 19 2.653 -12.873 -7.017 155 HB3 GLN 19 HB3 GLN 19 1.505 -12.668 -8.334 156 HG2 GLN 19 HG2 GLN 19 4.046 -11.286 -8.746 157 HG3 GLN 19 HG3 GLN 19 4.187 -13.039 -8.618 158 HE21 GLN 19 HE21 GLN 19 1.514 -11.148 -9.920 159 HE22 GLN 19 HE22 GLN 19 1.624 -11.763 -11.531 160 H GLN 20 H GLN 20 2.012 -10.430 -4.814 161 HA GLN 20 HA GLN 20 4.653 -9.156 -4.821 162 HB2 GLN 20 HB2 GLN 20 3.973 -8.453 -2.477 163 HB3 GLN 20 HB3 GLN 20 3.052 -7.748 -3.800 164 HG2 GLN 20 HG2 GLN 20 1.168 -9.010 -3.333 165 HG3 GLN 20 HG3 GLN 20 2.079 -10.215 -2.425 166 HE21 GLN 20 HE21 GLN 20 -0.239 -8.201 -1.936 167 HE22 GLN 20 HE22 GLN 20 0.147 -7.552 -0.382 168 H GLU 21 H GLU 21 5.578 -9.486 -2.350 169 HA GLU 21 HA GLU 21 6.602 -12.118 -2.365 170 HB2 GLU 21 HB2 GLU 21 7.756 -11.512 -0.335 171 HB3 GLU 21 HB3 GLU 21 7.803 -10.149 -1.444 172 HG2 GLU 21 HG2 GLU 21 7.277 -9.071 0.485 173 HG3 GLU 21 HG3 GLU 21 5.657 -9.415 -0.119 174 H GLU 22 H GLU 22 3.807 -10.706 -0.923 175 HA GLU 22 HA GLU 22 3.333 -12.311 1.270 176 HB2 GLU 22 HB2 GLU 22 1.626 -10.817 -0.638 177 HB3 GLU 22 HB3 GLU 22 0.822 -12.041 0.334 178 HG2 GLU 22 HG2 GLU 22 2.590 -10.335 1.891 179 HG3 GLU 22 HG3 GLU 22 1.303 -9.447 1.077 180 H GLY 23 H GLY 23 1.750 -12.875 -1.877 181 HA2 GLY 23 HA2 GLY 23 2.528 -15.452 -2.378 182 HA3 GLY 23 HA3 GLY 23 1.220 -15.616 -1.216 183 HA PRO 24 HA PRO 24 -1.838 -15.188 -4.324 184 HB2 PRO 24 HB2 PRO 24 -3.601 -13.381 -3.326 185 HB3 PRO 24 HB3 PRO 24 -3.435 -15.018 -2.681 186 HG2 PRO 24 HG2 PRO 24 -2.291 -12.451 -1.650 187 HG3 PRO 24 HG3 PRO 24 -3.045 -13.781 -0.751 188 HD2 PRO 24 HD2 PRO 24 -0.360 -13.468 -0.909 189 HD3 PRO 24 HD3 PRO 24 -1.130 -15.063 -0.794 190 H ASP 25 H ASP 25 -2.962 -13.702 -5.837 191 HA ASP 25 HA ASP 25 -1.140 -11.602 -6.681 192 HB2 ASP 25 HB2 ASP 25 -2.736 -11.511 -8.676 193 HB3 ASP 25 HB3 ASP 25 -1.818 -12.999 -8.460 194 H VAL 26 H VAL 26 -2.556 -9.731 -7.878 195 HA VAL 26 HA VAL 26 -4.520 -8.735 -5.930 196 HB VAL 26 HB VAL 26 -2.035 -7.748 -5.878 197 HG11 VAL 26 HG11 VAL 26 -2.428 -7.084 -8.354 198 HG12 VAL 26 HG12 VAL 26 -3.354 -5.748 -7.669 199 HG13 VAL 26 HG13 VAL 26 -1.646 -5.938 -7.267 200 HG21 VAL 26 HG21 VAL 26 -3.383 -6.915 -4.243 201 HG22 VAL 26 HG22 VAL 26 -3.290 -5.486 -5.273 202 HG23 VAL 26 HG23 VAL 26 -4.698 -6.545 -5.360 203 H PHE 27 H PHE 27 -6.051 -7.253 -6.754 204 HA PHE 27 HA PHE 27 -6.567 -7.611 -9.590 205 HB2 PHE 27 HB2 PHE 27 -8.313 -7.836 -7.716 206 HB3 PHE 27 HB3 PHE 27 -8.299 -6.076 -7.663 207 HD1 PHE 27 HD1 PHE 27 -8.666 -8.870 -10.103 208 HD2 PHE 27 HD2 PHE 27 -9.788 -4.921 -8.979 209 HE1 PHE 27 HE1 PHE 27 -10.287 -8.807 -11.953 210 HE2 PHE 27 HE2 PHE 27 -11.412 -4.853 -10.826 211 HZ PHE 27 HZ PHE 27 -11.662 -6.797 -12.316 212 H VAL 28 H VAL 28 -5.786 -6.219 -11.016 213 HA VAL 28 HA VAL 28 -5.608 -3.375 -10.257 214 HB VAL 28 HB VAL 28 -3.505 -3.172 -11.019 215 HG11 VAL 28 HG11 VAL 28 -2.150 -5.239 -10.856 216 HG12 VAL 28 HG12 VAL 28 -3.267 -5.034 -9.505 217 HG13 VAL 28 HG13 VAL 28 -3.643 -6.176 -10.795 218 HG21 VAL 28 HG21 VAL 28 -4.011 -3.368 -13.328 219 HG22 VAL 28 HG22 VAL 28 -2.644 -4.439 -13.023 220 HG23 VAL 28 HG23 VAL 28 -4.267 -5.108 -13.195 221 H HIS 29 H HIS 29 -6.184 -1.855 -11.794 222 HA HIS 29 HA HIS 29 -7.049 -2.759 -14.424 223 HB2 HIS 29 HB2 HIS 29 -8.872 -1.947 -12.250 224 HB3 HIS 29 HB3 HIS 29 -9.174 -1.175 -13.804 225 HD1 HIS 29 HD1 HIS 29 -10.589 -2.464 -15.375 226 HD2 HIS 29 HD2 HIS 29 -8.832 -4.905 -12.509 227 HE1 HIS 29 HE1 HIS 29 -11.547 -4.756 -15.765 228 H PHE 30 H PHE 30 -7.638 -0.912 -15.844 229 HA PHE 30 HA PHE 30 -5.646 1.046 -15.834 230 HB2 PHE 30 HB2 PHE 30 -7.898 0.327 -17.490 231 HB3 PHE 30 HB3 PHE 30 -7.781 2.078 -17.346 232 HD1 PHE 30 HD1 PHE 30 -5.768 -0.938 -18.157 233 HD2 PHE 30 HD2 PHE 30 -6.276 3.258 -18.656 234 HE1 PHE 30 HE1 PHE 30 -3.976 -0.926 -19.842 235 HE2 PHE 30 HE2 PHE 30 -4.485 3.278 -20.343 236 HZ PHE 30 HZ PHE 30 -3.332 1.184 -20.937 237 H THR 31 H THR 31 -8.620 0.903 -14.154 238 HA THR 31 HA THR 31 -8.858 3.766 -13.782 239 HB THR 31 HB THR 31 -10.653 2.992 -12.077 240 HG1 THR 31 HG1 THR 31 -10.957 0.904 -11.927 241 HG21 THR 31 HG21 THR 31 -10.701 3.508 -14.807 242 HG22 THR 31 HG22 THR 31 -12.092 3.459 -13.723 243 HG23 THR 31 HG23 THR 31 -11.628 2.019 -14.630 244 H ALA 32 H ALA 32 -6.726 1.655 -12.629 245 HA ALA 32 HA ALA 32 -6.573 2.992 -10.008 246 HB1 ALA 32 HB1 ALA 32 -7.154 0.382 -10.242 247 HB2 ALA 32 HB2 ALA 32 -5.392 0.296 -10.224 248 HB3 ALA 32 HB3 ALA 32 -6.252 1.058 -8.886 249 H ILE 33 H ILE 33 -4.872 1.623 -12.754 250 HA ILE 33 HA ILE 33 -2.242 1.841 -11.972 251 HB ILE 33 HB ILE 33 -3.414 2.443 -14.689 252 HG12 ILE 33 HG12 ILE 33 -1.942 -0.059 -13.972 253 HG13 ILE 33 HG13 ILE 33 -3.618 0.113 -13.463 254 HG21 ILE 33 HG21 ILE 33 -0.556 1.920 -13.884 255 HG22 ILE 33 HG22 ILE 33 -1.144 1.988 -15.545 256 HG23 ILE 33 HG23 ILE 33 -1.212 3.426 -14.525 257 HD11 ILE 33 HD11 ILE 33 -4.146 -0.722 -15.449 258 HD12 ILE 33 HD12 ILE 33 -3.680 0.843 -16.115 259 HD13 ILE 33 HD13 ILE 33 -2.515 -0.481 -16.075 260 H GLU 34 H GLU 34 -0.879 3.455 -11.524 261 HA GLU 34 HA GLU 34 -1.846 6.203 -11.885 262 HB2 GLU 34 HB2 GLU 34 -0.076 4.869 -9.900 263 HB3 GLU 34 HB3 GLU 34 0.255 6.553 -10.280 264 HG2 GLU 34 HG2 GLU 34 -2.413 5.508 -9.365 265 HG3 GLU 34 HG3 GLU 34 -1.203 6.232 -8.307 266 H ALA 35 H ALA 35 -1.245 6.493 -14.042 267 HA ALA 35 HA ALA 35 1.650 6.810 -14.446 268 HB1 ALA 35 HB1 ALA 35 0.772 4.723 -15.539 269 HB2 ALA 35 HB2 ALA 35 -0.190 5.766 -16.587 270 HB3 ALA 35 HB3 ALA 35 1.571 5.864 -16.621 271 H ASP 36 H ASP 36 2.006 8.095 -16.588 272 HA ASP 36 HA ASP 36 0.096 10.340 -16.604 273 HB2 ASP 36 HB2 ASP 36 3.050 10.251 -16.493 274 HB3 ASP 36 HB3 ASP 36 2.364 11.459 -17.577 275 H GLY 37 H GLY 37 -1.040 9.083 -18.273 276 HA2 GLY 37 HA2 GLY 37 -1.414 9.757 -20.643 277 HA3 GLY 37 HA3 GLY 37 0.277 9.358 -20.905 278 H PHE 38 H PHE 38 -0.349 7.891 -22.553 279 HA PHE 38 HA PHE 38 -1.887 5.551 -21.735 280 HB2 PHE 38 HB2 PHE 38 -0.941 6.619 -24.376 281 HB3 PHE 38 HB3 PHE 38 -1.451 4.941 -24.230 282 HD1 PHE 38 HD2 PHE 38 -3.788 4.496 -23.299 283 HD2 PHE 38 HD1 PHE 38 -2.503 8.307 -24.694 284 HE1 PHE 38 HE2 PHE 38 -6.134 5.186 -23.566 285 HE2 PHE 38 HE1 PHE 38 -4.847 9.002 -24.963 286 HZ PHE 38 HZ PHE 38 -6.667 7.442 -24.398 287 H ARG 39 H ARG 39 -0.865 3.887 -20.858 288 HA ARG 39 HA ARG 39 1.562 2.863 -22.049 289 HB2 ARG 39 HB2 ARG 39 1.970 4.665 -20.087 290 HB3 ARG 39 HB3 ARG 39 1.796 3.209 -19.116 291 HG2 ARG 39 HG2 ARG 39 3.679 2.217 -20.031 292 HG3 ARG 39 HG3 ARG 39 3.653 3.255 -21.458 293 HD2 ARG 39 HD2 ARG 39 3.997 4.561 -18.817 294 HD3 ARG 39 HD3 ARG 39 5.355 3.627 -19.444 295 HE ARG 39 HE ARG 39 4.505 6.180 -20.332 296 HH11 ARG 39 HH11 ARG 39 5.807 3.160 -21.475 297 HH12 ARG 39 HH12 ARG 39 6.584 3.867 -22.853 298 HH21 ARG 39 HH21 ARG 39 5.524 7.122 -22.142 299 HH22 ARG 39 HH22 ARG 39 6.423 6.121 -23.231 300 H THR 40 H THR 40 2.277 0.825 -20.861 301 HA THR 40 HA THR 40 0.154 -0.520 -19.397 302 HB THR 40 HB THR 40 0.043 -2.434 -20.890 303 HG1 THR 40 HG1 THR 40 2.075 -1.030 -22.221 304 HG21 THR 40 HG21 THR 40 -1.187 -1.448 -22.718 305 HG22 THR 40 HG22 THR 40 -0.387 0.104 -22.469 306 HG23 THR 40 HG23 THR 40 -1.501 -0.519 -21.253 307 H LEU 41 H LEU 41 0.904 -2.900 -18.972 308 HA LEU 41 HA LEU 41 3.732 -2.760 -18.168 309 HB2 LEU 41 HB2 LEU 41 1.446 -4.340 -17.002 310 HB3 LEU 41 HB3 LEU 41 3.121 -4.455 -16.466 311 HG LEU 41 HG LEU 41 2.069 -3.088 -14.883 312 HD11 LEU 41 HD11 LEU 41 3.140 -0.949 -15.116 313 HD12 LEU 41 HD12 LEU 41 3.294 -1.170 -16.858 314 HD13 LEU 41 HD13 LEU 41 4.208 -2.198 -15.756 315 HD21 LEU 41 HD21 LEU 41 0.998 -0.948 -16.461 316 HD22 LEU 41 HD22 LEU 41 0.186 -1.987 -15.289 317 HD23 LEU 41 HD23 LEU 41 0.300 -2.483 -16.978 318 H ASN 42 H ASN 42 4.772 -4.982 -17.947 319 HA ASN 42 HA ASN 42 3.918 -6.749 -20.139 320 HB2 ASN 42 HB2 ASN 42 6.801 -6.096 -19.506 321 HB3 ASN 42 HB3 ASN 42 6.191 -7.030 -20.869 322 HD21 ASN 42 HD21 ASN 42 7.307 -4.081 -19.918 323 HD22 ASN 42 HD22 ASN 42 6.676 -3.111 -21.201 324 H GLU 43 H GLU 43 3.825 -8.853 -19.642 325 HA GLU 43 HA GLU 43 3.927 -9.803 -17.056 326 HB2 GLU 43 HB2 GLU 43 2.817 -11.004 -18.872 327 HB3 GLU 43 HB3 GLU 43 4.372 -11.350 -19.615 328 HG2 GLU 43 HG2 GLU 43 4.933 -12.525 -17.401 329 HG3 GLU 43 HG3 GLU 43 3.197 -12.475 -17.105 330 H GLY 44 H GLY 44 5.480 -10.447 -15.693 331 HA2 GLY 44 HA2 GLY 44 7.545 -11.518 -15.169 332 HA3 GLY 44 HA3 GLY 44 8.139 -11.084 -16.766 333 H GLU 45 H GLU 45 6.847 -8.322 -16.133 334 HA GLU 45 HA GLU 45 9.292 -7.204 -15.037 335 HB2 GLU 45 HB2 GLU 45 8.142 -6.238 -17.048 336 HB3 GLU 45 HB3 GLU 45 6.824 -5.748 -15.993 337 HG2 GLU 45 HG2 GLU 45 7.952 -3.996 -15.184 338 HG3 GLU 45 HG3 GLU 45 9.471 -4.885 -15.095 339 H HIS 46 H HIS 46 9.230 -5.560 -13.346 340 HA HIS 46 HA HIS 46 7.415 -6.361 -11.207 341 HB2 HIS 46 HB2 HIS 46 9.488 -4.307 -10.698 342 HB3 HIS 46 HB3 HIS 46 9.026 -5.707 -9.734 343 HD1 HIS 46 HD1 HIS 46 10.165 -7.980 -10.329 344 HD2 HIS 46 HD2 HIS 46 11.593 -4.713 -12.463 345 HE1 HIS 46 HE1 HIS 46 12.308 -8.756 -11.392 346 H VAL 47 H VAL 47 5.985 -5.009 -10.197 347 HA VAL 47 HA VAL 47 5.866 -2.199 -10.897 348 HB VAL 47 HB VAL 47 3.543 -2.263 -11.663 349 HG11 VAL 47 HG11 VAL 47 3.935 -3.160 -13.882 350 HG12 VAL 47 HG12 VAL 47 5.379 -2.328 -13.301 351 HG13 VAL 47 HG13 VAL 47 5.309 -4.091 -13.287 352 HG21 VAL 47 HG21 VAL 47 2.378 -4.290 -12.119 353 HG22 VAL 47 HG22 VAL 47 3.806 -5.263 -11.764 354 HG23 VAL 47 HG23 VAL 47 2.983 -4.398 -10.466 355 H GLU 48 H GLU 48 4.845 -0.971 -9.368 356 HA GLU 48 HA GLU 48 4.255 -2.282 -6.862 357 HB2 GLU 48 HB2 GLU 48 3.923 0.658 -7.402 358 HB3 GLU 48 HB3 GLU 48 4.301 -0.142 -5.883 359 HG2 GLU 48 HG2 GLU 48 6.485 -0.844 -6.995 360 HG3 GLU 48 HG3 GLU 48 6.095 0.351 -8.230 361 H PHE 49 H PHE 49 2.300 -1.705 -5.611 362 HA PHE 49 HA PHE 49 -0.025 -0.738 -6.940 363 HB2 PHE 49 HB2 PHE 49 -1.317 -2.812 -6.980 364 HB3 PHE 49 HB3 PHE 49 0.112 -2.958 -7.998 365 HD1 PHE 49 HD1 PHE 49 2.011 -4.337 -7.279 366 HD2 PHE 49 HD2 PHE 49 -1.603 -4.159 -5.037 367 HE1 PHE 49 HE1 PHE 49 2.667 -6.375 -6.066 368 HE2 PHE 49 HE2 PHE 49 -0.953 -6.196 -3.820 369 HZ PHE 49 HZ PHE 49 1.184 -7.307 -4.335 370 H GLU 50 H GLU 50 -1.403 0.026 -5.459 371 HA GLU 50 HA GLU 50 -0.907 -0.660 -2.656 372 HB2 GLU 50 HB2 GLU 50 -2.161 1.684 -4.041 373 HB3 GLU 50 HB3 GLU 50 -2.524 1.369 -2.350 374 HG2 GLU 50 HG2 GLU 50 -0.098 1.434 -1.865 375 HG3 GLU 50 HG3 GLU 50 0.188 1.887 -3.544 376 H VAL 51 H VAL 51 -2.048 -2.455 -2.165 377 HA VAL 51 HA VAL 51 -4.571 -3.134 -3.215 378 HB VAL 51 HB VAL 51 -4.698 -4.801 -1.426 379 HG11 VAL 51 HG11 VAL 51 -1.847 -5.017 -2.090 380 HG12 VAL 51 HG12 VAL 51 -3.179 -6.127 -2.420 381 HG13 VAL 51 HG13 VAL 51 -2.909 -4.734 -3.468 382 HG21 VAL 51 HG21 VAL 51 -2.719 -4.931 0.158 383 HG22 VAL 51 HG22 VAL 51 -2.368 -3.265 -0.303 384 HG23 VAL 51 HG23 VAL 51 -3.899 -3.660 0.478 385 H GLU 52 H GLU 52 -6.513 -2.325 -2.802 386 HA GLU 52 HA GLU 52 -6.934 -0.918 -0.247 387 HB2 GLU 52 HB2 GLU 52 -7.409 -0.090 -2.986 388 HB3 GLU 52 HB3 GLU 52 -8.882 -0.013 -2.030 389 HG2 GLU 52 HG2 GLU 52 -7.891 2.104 -1.852 390 HG3 GLU 52 HG3 GLU 52 -7.562 1.292 -0.323 391 HA PRO 53 HA PRO 53 -10.328 -3.532 0.691 392 HB2 PRO 53 HB2 PRO 53 -12.132 -1.805 1.757 393 HB3 PRO 53 HB3 PRO 53 -10.649 -2.282 2.592 394 HG2 PRO 53 HG2 PRO 53 -11.223 0.200 1.021 395 HG3 PRO 53 HG3 PRO 53 -10.377 0.027 2.569 396 HD2 PRO 53 HD2 PRO 53 -9.067 0.339 0.220 397 HD3 PRO 53 HD3 PRO 53 -8.405 -0.614 1.563 398 H GLY 54 H GLY 54 -12.451 -0.824 0.185 399 HA2 GLY 54 HA2 GLY 54 -14.035 -2.332 -1.679 400 HA3 GLY 54 HA3 GLY 54 -14.362 -0.701 -1.110 401 H ARG 55 H ARG 55 -11.888 -2.350 -3.086 402 HA ARG 55 HA ARG 55 -12.277 -0.268 -5.126 403 HB2 ARG 55 HB2 ARG 55 -9.751 -1.146 -3.805 404 HB3 ARG 55 HB3 ARG 55 -9.692 -0.726 -5.512 405 HG2 ARG 55 HG2 ARG 55 -10.837 1.104 -3.423 406 HG3 ARG 55 HG3 ARG 55 -9.136 1.118 -3.892 407 HD2 ARG 55 HD2 ARG 55 -9.557 2.132 -5.856 408 HD3 ARG 55 HD3 ARG 55 -11.034 1.208 -6.129 409 HE ARG 55 HE ARG 55 -11.290 3.185 -4.064 410 HH11 ARG 55 HH11 ARG 55 -11.439 2.607 -7.493 411 HH12 ARG 55 HH12 ARG 55 -12.490 3.948 -7.806 412 HH21 ARG 55 HH21 ARG 55 -12.674 4.954 -4.462 413 HH22 ARG 55 HH22 ARG 55 -13.191 5.283 -6.081 414 H GLY 56 H GLY 56 -11.098 -3.522 -4.384 415 HA2 GLY 56 HA2 GLY 56 -11.518 -4.234 -7.220 416 HA3 GLY 56 HA3 GLY 56 -10.376 -5.043 -6.157 417 H GLY 57 H GLY 57 -12.608 -6.128 -7.757 418 HA2 GLY 57 HA2 GLY 57 -14.868 -6.787 -6.332 419 HA3 GLY 57 HA3 GLY 57 -14.108 -7.853 -7.504 420 H LYS 58 H LYS 58 -11.869 -8.717 -6.421 421 HA LYS 58 HA LYS 58 -12.739 -10.529 -4.419 422 HB2 LYS 58 HB2 LYS 58 -9.971 -9.900 -5.458 423 HB3 LYS 58 HB3 LYS 58 -10.340 -11.229 -4.367 424 HG2 LYS 58 HG2 LYS 58 -11.865 -11.051 -6.906 425 HG3 LYS 58 HG3 LYS 58 -10.179 -11.568 -6.978 426 HD2 LYS 58 HD2 LYS 58 -10.954 -13.616 -6.522 427 HD3 LYS 58 HD3 LYS 58 -11.184 -13.028 -4.873 428 HE2 LYS 58 HE2 LYS 58 -13.229 -14.035 -5.580 429 HE3 LYS 58 HE3 LYS 58 -13.475 -12.290 -5.541 430 HZ1 LYS 58 HZ1 LYS 58 -13.751 -12.191 -7.755 431 HZ2 LYS 58 HZ2 LYS 58 -14.148 -13.828 -7.603 432 HZ3 LYS 58 HZ3 LYS 58 -12.589 -13.377 -8.080 433 H GLY 59 H GLY 59 -11.640 -7.341 -4.252 434 HA2 GLY 59 HA2 GLY 59 -11.964 -6.386 -1.961 435 HA3 GLY 59 HA3 GLY 59 -10.921 -7.686 -1.406 436 HA PRO 60 HA PRO 60 -7.382 -5.159 -1.917 437 HB2 PRO 60 HB2 PRO 60 -5.515 -6.936 -2.770 438 HB3 PRO 60 HB3 PRO 60 -6.132 -6.911 -1.113 439 HG2 PRO 60 HG2 PRO 60 -6.909 -8.684 -3.396 440 HG3 PRO 60 HG3 PRO 60 -6.629 -9.106 -1.697 441 HD2 PRO 60 HD2 PRO 60 -9.112 -8.785 -2.728 442 HD3 PRO 60 HD3 PRO 60 -8.719 -8.387 -1.043 443 H GLN 61 H GLN 61 -7.364 -3.668 -3.490 444 HA GLN 61 HA GLN 61 -6.956 -4.579 -6.262 445 HB2 GLN 61 HB2 GLN 61 -9.084 -3.142 -5.340 446 HB3 GLN 61 HB3 GLN 61 -8.006 -1.858 -5.869 447 HG2 GLN 61 HG2 GLN 61 -8.468 -4.142 -7.707 448 HG3 GLN 61 HG3 GLN 61 -9.761 -2.963 -7.493 449 HE21 GLN 61 HE21 GLN 61 -8.348 -3.453 -9.896 450 HE22 GLN 61 HE22 GLN 61 -7.504 -2.005 -10.316 451 H ALA 62 H ALA 62 -5.816 -2.972 -7.654 452 HA ALA 62 HA ALA 62 -3.450 -2.029 -6.260 453 HB1 ALA 62 HB1 ALA 62 -2.839 -3.155 -8.181 454 HB2 ALA 62 HB2 ALA 62 -4.163 -2.475 -9.127 455 HB3 ALA 62 HB3 ALA 62 -2.775 -1.472 -8.706 456 H LYS 63 H LYS 63 -5.321 -0.460 -5.333 457 HA LYS 63 HA LYS 63 -6.327 1.701 -6.610 458 HB2 LYS 63 HB2 LYS 63 -6.033 1.016 -3.998 459 HB3 LYS 63 HB3 LYS 63 -4.949 2.397 -4.092 460 HG2 LYS 63 HG2 LYS 63 -7.877 2.356 -4.792 461 HG3 LYS 63 HG3 LYS 63 -7.130 3.124 -3.389 462 HD2 LYS 63 HD2 LYS 63 -7.211 4.962 -4.702 463 HD3 LYS 63 HD3 LYS 63 -5.721 4.288 -5.368 464 HE2 LYS 63 HE2 LYS 63 -6.704 4.259 -7.361 465 HE3 LYS 63 HE3 LYS 63 -7.801 3.024 -6.747 466 HZ1 LYS 63 HZ1 LYS 63 -9.125 5.011 -5.854 467 HZ2 LYS 63 HZ2 LYS 63 -9.210 4.674 -7.509 468 HZ3 LYS 63 HZ3 LYS 63 -8.229 5.935 -6.953 469 H LYS 64 H LYS 64 -2.968 1.251 -5.635 470 HA LYS 64 HA LYS 64 -2.250 3.547 -7.328 471 HB2 LYS 64 HB2 LYS 64 -2.038 3.595 -4.604 472 HB3 LYS 64 HB3 LYS 64 -0.443 3.016 -5.067 473 HG2 LYS 64 HG2 LYS 64 0.009 5.217 -5.167 474 HG3 LYS 64 HG3 LYS 64 -0.689 5.063 -6.782 475 HD2 LYS 64 HD2 LYS 64 -2.246 5.835 -4.317 476 HD3 LYS 64 HD3 LYS 64 -1.581 6.986 -5.477 477 HE2 LYS 64 HE2 LYS 64 -2.906 5.427 -7.178 478 HE3 LYS 64 HE3 LYS 64 -3.877 5.125 -5.738 479 HZ1 LYS 64 HZ1 LYS 64 -3.243 7.904 -6.358 480 HZ2 LYS 64 HZ2 LYS 64 -4.652 7.237 -5.703 481 HZ3 LYS 64 HZ3 LYS 64 -4.360 7.131 -7.366 482 H VAL 65 H VAL 65 -1.644 2.259 -9.049 483 HA VAL 65 HA VAL 65 0.429 0.239 -8.585 484 HB VAL 65 HB VAL 65 -1.759 0.417 -10.403 485 HG11 VAL 65 HG11 VAL 65 0.930 0.199 -11.754 486 HG12 VAL 65 HG12 VAL 65 -0.631 -0.114 -12.514 487 HG13 VAL 65 HG13 VAL 65 -0.231 1.510 -11.953 488 HG21 VAL 65 HG21 VAL 65 -0.825 -1.533 -9.054 489 HG22 VAL 65 HG22 VAL 65 -1.369 -1.883 -10.694 490 HG23 VAL 65 HG23 VAL 65 0.354 -1.719 -10.353 491 H ARG 66 H ARG 66 2.461 0.389 -9.414 492 HA ARG 66 HA ARG 66 3.110 2.736 -11.058 493 HB2 ARG 66 HB2 ARG 66 4.828 1.806 -8.756 494 HB3 ARG 66 HB3 ARG 66 5.040 3.251 -9.735 495 HG2 ARG 66 HG2 ARG 66 2.688 3.886 -8.821 496 HG3 ARG 66 HG3 ARG 66 3.071 2.707 -7.564 497 HD2 ARG 66 HD2 ARG 66 4.913 3.935 -6.812 498 HD3 ARG 66 HD3 ARG 66 4.999 4.884 -8.295 499 HE ARG 66 HE ARG 66 3.437 5.460 -5.983 500 HH11 ARG 66 HH11 ARG 66 3.508 5.751 -9.452 501 HH12 ARG 66 HH12 ARG 66 2.480 7.145 -9.486 502 HH21 ARG 66 HH21 ARG 66 2.083 7.296 -6.015 503 HH22 ARG 66 HH22 ARG 66 1.671 8.024 -7.531 504 H ARG 67 H ARG 67 5.224 2.547 -12.148 505 HA ARG 67 HA ARG 67 5.607 -0.189 -13.080 506 HB2 ARG 67 HB2 ARG 67 5.310 1.628 -14.728 507 HB3 ARG 67 HB3 ARG 67 6.769 2.401 -14.121 508 HG2 ARG 67 HG2 ARG 67 8.058 0.398 -14.787 509 HG3 ARG 67 HG3 ARG 67 6.585 -0.272 -15.491 510 HD2 ARG 67 HD2 ARG 67 7.510 0.702 -17.343 511 HD3 ARG 67 HD3 ARG 67 6.528 2.039 -16.746 512 HE ARG 67 HE ARG 67 8.448 3.202 -16.297 513 HH11 ARG 67 HH11 ARG 67 9.235 -0.152 -16.796 514 HH12 ARG 67 HH12 ARG 67 10.947 0.114 -16.789 515 HH21 ARG 67 HH21 ARG 67 10.700 3.565 -16.285 516 HH22 ARG 67 HH22 ARG 67 11.779 2.228 -16.497 517 H ILE 68 H ILE 68 7.397 -1.382 -12.738 518 HA ILE 68 HA ILE 68 9.747 -0.103 -11.541 519 HB ILE 68 HB ILE 68 8.413 -2.575 -10.431 520 HG12 ILE 68 HG12 ILE 68 7.803 0.057 -9.928 521 HG13 ILE 68 HG13 ILE 68 7.494 -1.283 -8.829 522 HG21 ILE 68 HG21 ILE 68 10.208 -2.433 -8.702 523 HG22 ILE 68 HG22 ILE 68 10.781 -2.865 -10.312 524 HG23 ILE 68 HG23 ILE 68 11.006 -1.224 -9.707 525 HD11 ILE 68 HD11 ILE 68 10.025 0.335 -8.806 526 HD12 ILE 68 HD12 ILE 68 8.618 0.691 -7.804 527 HD13 ILE 68 HD13 ILE 68 9.479 -0.835 -7.605 Start of MODEL 16 1 H1 MET 1 H MET 1 0.344 -0.123 0.125 2 HA MET 1 HA MET 1 1.899 0.412 -2.208 3 HB2 MET 1 HB2 MET 1 1.869 1.717 0.003 4 HB3 MET 1 HB3 MET 1 2.935 0.461 0.619 5 HG2 MET 1 HG2 MET 1 4.626 1.006 -0.952 6 HG3 MET 1 HG3 MET 1 3.540 2.068 -1.845 7 HE1 MET 1 HE1 MET 1 4.466 5.320 -0.701 8 HE2 MET 1 HE2 MET 1 5.651 4.263 -1.468 9 HE3 MET 1 HE3 MET 1 3.953 4.175 -1.942 10 H LYS 2 H LYS 2 1.657 -2.036 -2.740 11 HA LYS 2 HA LYS 2 3.989 -3.466 -1.644 12 HB2 LYS 2 HB2 LYS 2 1.554 -4.683 -2.958 13 HB3 LYS 2 HB3 LYS 2 2.872 -5.547 -2.178 14 HG2 LYS 2 HG2 LYS 2 0.857 -3.754 -0.842 15 HG3 LYS 2 HG3 LYS 2 0.953 -5.513 -0.730 16 HD2 LYS 2 HD2 LYS 2 3.330 -5.113 0.176 17 HD3 LYS 2 HD3 LYS 2 2.800 -3.447 0.421 18 HE2 LYS 2 HE2 LYS 2 1.269 -5.806 1.485 19 HE3 LYS 2 HE3 LYS 2 2.565 -5.032 2.395 20 HZ1 LYS 2 HZ1 LYS 2 1.074 -2.926 1.694 21 HZ2 LYS 2 HZ2 LYS 2 0.908 -3.756 3.158 22 HZ3 LYS 2 HZ3 LYS 2 -0.124 -4.108 1.865 23 H LYS 3 H LYS 3 5.465 -4.360 -3.032 24 HA LYS 3 HA LYS 3 5.122 -3.695 -5.882 25 HB2 LYS 3 HB2 LYS 3 7.758 -4.058 -4.460 26 HB3 LYS 3 HB3 LYS 3 7.481 -3.374 -6.057 27 HG2 LYS 3 HG2 LYS 3 6.483 -1.417 -5.126 28 HG3 LYS 3 HG3 LYS 3 6.485 -2.123 -3.508 29 HD2 LYS 3 HD2 LYS 3 9.106 -1.997 -4.852 30 HD3 LYS 3 HD3 LYS 3 8.390 -0.441 -4.426 31 HE2 LYS 3 HE2 LYS 3 8.025 -1.411 -2.110 32 HE3 LYS 3 HE3 LYS 3 9.071 -2.741 -2.608 33 HZ1 LYS 3 HZ1 LYS 3 10.875 -1.490 -2.347 34 HZ2 LYS 3 HZ2 LYS 3 9.893 -0.388 -1.521 35 HZ3 LYS 3 HZ3 LYS 3 10.205 -0.172 -3.170 36 H GLY 4 H GLY 4 5.323 -5.276 -7.370 37 HA2 GLY 4 HA2 GLY 4 6.747 -7.711 -6.868 38 HA3 GLY 4 HA3 GLY 4 5.006 -7.936 -6.780 39 H THR 5 H THR 5 6.283 -9.369 -8.629 40 HA THR 5 HA THR 5 6.424 -8.002 -11.159 41 HB THR 5 HB THR 5 6.546 -10.472 -12.003 42 HG1 THR 5 HG1 THR 5 5.850 -11.125 -9.728 43 HG21 THR 5 HG21 THR 5 8.868 -10.422 -11.781 44 HG22 THR 5 HG22 THR 5 8.797 -9.648 -10.198 45 HG23 THR 5 HG23 THR 5 8.416 -8.723 -11.650 46 H VAL 6 H VAL 6 5.134 -8.597 -13.027 47 HA VAL 6 HA VAL 6 2.338 -9.072 -12.274 48 HB VAL 6 HB VAL 6 2.935 -6.988 -13.541 49 HG11 VAL 6 HG11 VAL 6 3.939 -7.010 -15.550 50 HG12 VAL 6 HG12 VAL 6 4.467 -8.627 -15.079 51 HG13 VAL 6 HG13 VAL 6 3.040 -8.425 -16.096 52 HG21 VAL 6 HG21 VAL 6 0.663 -7.727 -13.543 53 HG22 VAL 6 HG22 VAL 6 1.066 -7.234 -15.187 54 HG23 VAL 6 HG23 VAL 6 1.002 -8.947 -14.771 55 H LYS 7 H LYS 7 1.199 -10.775 -13.014 56 HA LYS 7 HA LYS 7 2.654 -12.880 -14.374 57 HB2 LYS 7 HB2 LYS 7 0.684 -12.859 -12.443 58 HB3 LYS 7 HB3 LYS 7 -0.197 -13.334 -13.889 59 HG2 LYS 7 HG2 LYS 7 0.837 -15.338 -14.029 60 HG3 LYS 7 HG3 LYS 7 2.365 -14.718 -13.399 61 HD2 LYS 7 HD2 LYS 7 1.448 -16.238 -11.788 62 HD3 LYS 7 HD3 LYS 7 1.308 -14.601 -11.143 63 HE2 LYS 7 HE2 LYS 7 -0.789 -15.394 -10.687 64 HE3 LYS 7 HE3 LYS 7 -1.059 -14.713 -12.290 65 HZ1 LYS 7 HZ1 LYS 7 -1.780 -17.163 -11.652 66 HZ2 LYS 7 HZ2 LYS 7 -0.203 -17.498 -12.161 67 HZ3 LYS 7 HZ3 LYS 7 -1.291 -16.748 -13.217 68 H TRP 8 H TRP 8 0.006 -10.664 -15.017 69 HA TRP 8 HA TRP 8 0.343 -10.883 -17.827 70 HB2 TRP 8 HB2 TRP 8 -1.640 -11.994 -18.486 71 HB3 TRP 8 HB3 TRP 8 -0.936 -13.010 -17.231 72 HD1 TRP 8 HD1 TRP 8 -3.739 -10.368 -17.631 73 HE1 TRP 8 HE1 TRP 8 -5.580 -10.896 -15.912 74 HE3 TRP 8 HE3 TRP 8 -1.475 -14.243 -15.183 75 HZ2 TRP 8 HZ2 TRP 8 -6.014 -12.713 -13.796 76 HZ3 TRP 8 HZ3 TRP 8 -2.670 -15.321 -13.322 77 HH2 TRP 8 HH2 TRP 8 -4.893 -14.571 -12.644 78 H PHE 9 H PHE 9 -0.605 -9.192 -18.900 79 HA PHE 9 HA PHE 9 -2.568 -7.553 -17.488 80 HB2 PHE 9 HB2 PHE 9 -0.362 -6.623 -16.890 81 HB3 PHE 9 HB3 PHE 9 0.016 -6.438 -18.599 82 HD1 PHE 9 HD1 PHE 9 -1.224 -4.793 -19.965 83 HD2 PHE 9 HD2 PHE 9 -1.723 -5.058 -15.746 84 HE1 PHE 9 HE1 PHE 9 -2.248 -2.556 -19.949 85 HE2 PHE 9 HE2 PHE 9 -2.748 -2.821 -15.724 86 HZ PHE 9 HZ PHE 9 -3.010 -1.566 -17.827 87 H ASN 10 H ASN 10 -4.178 -7.805 -18.939 88 HA ASN 10 HA ASN 10 -3.663 -7.659 -21.784 89 HB2 ASN 10 HB2 ASN 10 -5.455 -9.090 -20.431 90 HB3 ASN 10 HB3 ASN 10 -6.439 -7.653 -20.697 91 HD21 ASN 10 HD21 ASN 10 -7.805 -9.013 -21.967 92 HD22 ASN 10 HD22 ASN 10 -7.387 -9.378 -23.603 93 H ALA 11 H ALA 11 -3.620 -5.828 -22.891 94 HA ALA 11 HA ALA 11 -4.572 -3.368 -21.691 95 HB1 ALA 11 HB1 ALA 11 -2.399 -3.786 -23.107 96 HB2 ALA 11 HB2 ALA 11 -3.485 -3.468 -24.461 97 HB3 ALA 11 HB3 ALA 11 -3.264 -2.251 -23.204 98 H GLU 12 H GLU 12 -5.683 -5.703 -23.946 99 HA GLU 12 HA GLU 12 -7.355 -4.112 -25.554 100 HB2 GLU 12 HB2 GLU 12 -7.445 -7.022 -24.779 101 HB3 GLU 12 HB3 GLU 12 -8.636 -6.306 -25.857 102 HG2 GLU 12 HG2 GLU 12 -6.683 -5.553 -27.284 103 HG3 GLU 12 HG3 GLU 12 -5.686 -6.621 -26.299 104 H LYS 13 H LYS 13 -7.840 -5.627 -22.417 105 HA LYS 13 HA LYS 13 -10.574 -4.570 -22.311 106 HB2 LYS 13 HB2 LYS 13 -9.178 -6.479 -20.426 107 HB3 LYS 13 HB3 LYS 13 -10.874 -6.016 -20.361 108 HG2 LYS 13 HG2 LYS 13 -10.662 -6.937 -22.911 109 HG3 LYS 13 HG3 LYS 13 -9.518 -7.976 -22.057 110 HD2 LYS 13 HD2 LYS 13 -11.373 -9.201 -21.645 111 HD3 LYS 13 HD3 LYS 13 -11.584 -8.040 -20.333 112 HE2 LYS 13 HE2 LYS 13 -12.674 -7.231 -22.949 113 HE3 LYS 13 HE3 LYS 13 -13.473 -8.601 -22.181 114 HZ1 LYS 13 HZ1 LYS 13 -13.517 -5.817 -21.464 115 HZ2 LYS 13 HZ2 LYS 13 -13.211 -6.837 -20.150 116 HZ3 LYS 13 HZ3 LYS 13 -14.610 -7.050 -21.078 117 H GLY 14 H GLY 14 -7.469 -4.471 -20.628 118 HA2 GLY 14 HA2 GLY 14 -6.670 -2.457 -19.622 119 HA3 GLY 14 HA3 GLY 14 -8.337 -1.966 -19.358 120 H TYR 15 H TYR 15 -6.843 -5.080 -18.590 121 HA TYR 15 HA TYR 15 -6.974 -4.448 -15.738 122 HB2 TYR 15 HB2 TYR 15 -8.343 -6.261 -15.160 123 HB3 TYR 15 HB3 TYR 15 -9.129 -5.583 -16.582 124 HD1 TYR 15 HD1 TYR 15 -7.960 -6.650 -18.864 125 HD2 TYR 15 HD2 TYR 15 -8.405 -8.557 -15.087 126 HE1 TYR 15 HE1 TYR 15 -7.865 -8.846 -19.968 127 HE2 TYR 15 HE2 TYR 15 -8.310 -10.758 -16.180 128 HH TYR 15 HH TYR 15 -8.496 -11.124 -19.593 129 H GLY 16 H GLY 16 -6.036 -6.336 -14.430 130 HA2 GLY 16 HA2 GLY 16 -4.319 -8.216 -15.646 131 HA3 GLY 16 HA3 GLY 16 -3.395 -6.779 -15.236 132 H PHE 17 H PHE 17 -2.580 -9.000 -14.056 133 HA PHE 17 HA PHE 17 -3.507 -8.677 -11.285 134 HB2 PHE 17 HB2 PHE 17 -3.283 -11.176 -12.889 135 HB3 PHE 17 HB3 PHE 17 -2.815 -11.252 -11.193 136 HD1 PHE 17 HD1 PHE 17 -5.601 -10.058 -13.360 137 HD2 PHE 17 HD2 PHE 17 -4.425 -11.695 -9.611 138 HE1 PHE 17 HE1 PHE 17 -7.966 -10.289 -12.723 139 HE2 PHE 17 HE2 PHE 17 -6.789 -11.930 -8.969 140 HZ PHE 17 HZ PHE 17 -8.563 -11.225 -10.525 141 H ILE 18 H ILE 18 -1.934 -8.515 -9.784 142 HA ILE 18 HA ILE 18 0.842 -8.885 -10.707 143 HB ILE 18 HB ILE 18 -0.176 -6.937 -8.636 144 HG12 ILE 18 HG12 ILE 18 1.143 -6.180 -11.220 145 HG13 ILE 18 HG13 ILE 18 -0.576 -6.560 -11.197 146 HG21 ILE 18 HG21 ILE 18 1.983 -7.538 -7.959 147 HG22 ILE 18 HG22 ILE 18 2.578 -7.610 -9.617 148 HG23 ILE 18 HG23 ILE 18 2.208 -6.051 -8.880 149 HD11 ILE 18 HD11 ILE 18 0.870 -4.232 -10.108 150 HD12 ILE 18 HD12 ILE 18 -0.727 -4.339 -10.850 151 HD13 ILE 18 HD13 ILE 18 -0.500 -4.829 -9.171 152 H GLN 19 H GLN 19 2.343 -9.791 -9.285 153 HA GLN 19 HA GLN 19 1.166 -11.173 -6.964 154 HB2 GLN 19 HB2 GLN 19 3.332 -12.071 -8.864 155 HB3 GLN 19 HB3 GLN 19 2.989 -12.881 -7.341 156 HG2 GLN 19 HG2 GLN 19 1.915 -14.056 -9.136 157 HG3 GLN 19 HG3 GLN 19 0.692 -13.306 -8.111 158 HE21 GLN 19 HE21 GLN 19 -0.890 -13.203 -9.642 159 HE22 GLN 19 HE22 GLN 19 -0.803 -12.189 -11.038 160 H GLN 20 H GLN 20 1.924 -10.555 -5.060 161 HA GLN 20 HA GLN 20 4.575 -9.277 -4.952 162 HB2 GLN 20 HB2 GLN 20 3.781 -8.074 -2.974 163 HB3 GLN 20 HB3 GLN 20 2.745 -7.764 -4.361 164 HG2 GLN 20 HG2 GLN 20 1.002 -9.036 -3.503 165 HG3 GLN 20 HG3 GLN 20 2.055 -9.895 -2.381 166 HE21 GLN 20 HE21 GLN 20 3.362 -7.989 -1.070 167 HE22 GLN 20 HE22 GLN 20 2.276 -6.953 -0.215 168 H GLU 21 H GLU 21 5.104 -9.312 -2.307 169 HA GLU 21 HA GLU 21 5.726 -12.104 -1.868 170 HB2 GLU 21 HB2 GLU 21 6.430 -9.668 -0.221 171 HB3 GLU 21 HB3 GLU 21 7.085 -11.283 0.005 172 HG2 GLU 21 HG2 GLU 21 8.224 -11.200 -2.081 173 HG3 GLU 21 HG3 GLU 21 7.404 -9.707 -2.533 174 H GLU 22 H GLU 22 3.358 -9.863 -0.853 175 HA GLU 22 HA GLU 22 2.368 -11.809 1.110 176 HB2 GLU 22 HB2 GLU 22 2.364 -8.818 1.549 177 HB3 GLU 22 HB3 GLU 22 1.757 -10.040 2.657 178 HG2 GLU 22 HG2 GLU 22 4.202 -10.946 2.539 179 HG3 GLU 22 HG3 GLU 22 4.567 -9.308 1.999 180 H GLY 23 H GLY 23 1.007 -12.404 -0.722 181 HA2 GLY 23 HA2 GLY 23 -1.402 -12.347 -1.040 182 HA3 GLY 23 HA3 GLY 23 -1.315 -10.595 -0.933 183 HA PRO 24 HA PRO 24 0.496 -11.854 -5.254 184 HB2 PRO 24 HB2 PRO 24 0.010 -14.407 -6.039 185 HB3 PRO 24 HB3 PRO 24 1.469 -13.934 -5.160 186 HG2 PRO 24 HG2 PRO 24 -1.037 -15.203 -4.126 187 HG3 PRO 24 HG3 PRO 24 0.651 -15.577 -3.733 188 HD2 PRO 24 HD2 PRO 24 -0.923 -14.079 -2.118 189 HD3 PRO 24 HD3 PRO 24 0.827 -13.819 -2.253 190 H ASP 25 H ASP 25 -0.568 -12.059 -7.338 191 HA ASP 25 HA ASP 25 -2.333 -11.727 -8.735 192 HB2 ASP 25 HB2 ASP 25 -4.211 -13.311 -7.080 193 HB3 ASP 25 HB3 ASP 25 -3.850 -13.425 -8.800 194 H VAL 26 H VAL 26 -2.584 -9.530 -8.269 195 HA VAL 26 HA VAL 26 -4.765 -8.881 -6.394 196 HB VAL 26 HB VAL 26 -2.377 -7.917 -6.037 197 HG11 VAL 26 HG11 VAL 26 -1.596 -6.281 -7.392 198 HG12 VAL 26 HG12 VAL 26 -2.585 -7.120 -8.589 199 HG13 VAL 26 HG13 VAL 26 -3.208 -5.681 -7.781 200 HG21 VAL 26 HG21 VAL 26 -4.114 -7.158 -4.653 201 HG22 VAL 26 HG22 VAL 26 -3.424 -5.692 -5.348 202 HG23 VAL 26 HG23 VAL 26 -4.935 -6.342 -5.984 203 H PHE 27 H PHE 27 -6.331 -7.364 -7.024 204 HA PHE 27 HA PHE 27 -6.997 -7.439 -9.804 205 HB2 PHE 27 HB2 PHE 27 -8.468 -7.216 -7.537 206 HB3 PHE 27 HB3 PHE 27 -8.439 -5.536 -8.062 207 HD1 PHE 27 HD1 PHE 27 -8.732 -8.808 -9.836 208 HD2 PHE 27 HD2 PHE 27 -10.388 -4.955 -9.110 209 HE1 PHE 27 HE1 PHE 27 -10.533 -9.284 -11.442 210 HE2 PHE 27 HE2 PHE 27 -12.193 -5.425 -10.714 211 HZ PHE 27 HZ PHE 27 -12.267 -7.592 -11.884 212 H VAL 28 H VAL 28 -6.077 -6.179 -11.272 213 HA VAL 28 HA VAL 28 -5.559 -3.363 -10.582 214 HB VAL 28 HB VAL 28 -3.430 -3.395 -11.310 215 HG11 VAL 28 HG11 VAL 28 -3.855 -6.358 -10.944 216 HG12 VAL 28 HG12 VAL 28 -2.284 -5.555 -10.980 217 HG13 VAL 28 HG13 VAL 28 -3.432 -5.192 -9.691 218 HG21 VAL 28 HG21 VAL 28 -3.896 -3.669 -13.618 219 HG22 VAL 28 HG22 VAL 28 -2.654 -4.855 -13.217 220 HG23 VAL 28 HG23 VAL 28 -4.333 -5.364 -13.400 221 H HIS 29 H HIS 29 -6.002 -1.852 -12.151 222 HA HIS 29 HA HIS 29 -6.860 -2.753 -14.789 223 HB2 HIS 29 HB2 HIS 29 -8.635 -1.440 -12.759 224 HB3 HIS 29 HB3 HIS 29 -8.901 -1.150 -14.476 225 HD1 HIS 29 HD1 HIS 29 -10.252 -2.853 -15.691 226 HD2 HIS 29 HD2 HIS 29 -8.829 -4.278 -12.058 227 HE1 HIS 29 HE1 HIS 29 -11.331 -5.103 -15.383 228 H PHE 30 H PHE 30 -7.170 -0.947 -16.303 229 HA PHE 30 HA PHE 30 -5.032 0.859 -16.222 230 HB2 PHE 30 HB2 PHE 30 -5.879 1.753 -18.252 231 HB3 PHE 30 HB3 PHE 30 -6.304 0.044 -18.268 232 HD1 PHE 30 HD2 PHE 30 -8.628 -0.658 -17.877 233 HD2 PHE 30 HD1 PHE 30 -7.547 3.447 -18.191 234 HE1 PHE 30 HE2 PHE 30 -10.988 -0.068 -18.243 235 HE2 PHE 30 HE1 PHE 30 -9.906 4.044 -18.556 236 HZ PHE 30 HZ PHE 30 -11.630 2.285 -18.584 237 H THR 31 H THR 31 -8.108 1.000 -14.761 238 HA THR 31 HA THR 31 -8.192 3.891 -14.570 239 HB THR 31 HB THR 31 -10.288 2.594 -14.762 240 HG1 THR 31 HG1 THR 31 -11.360 3.758 -13.121 241 HG21 THR 31 HG21 THR 31 -9.865 1.707 -11.921 242 HG22 THR 31 HG22 THR 31 -9.384 0.701 -13.287 243 HG23 THR 31 HG23 THR 31 -11.074 1.157 -13.080 244 H ALA 32 H ALA 32 -6.310 1.696 -13.135 245 HA ALA 32 HA ALA 32 -6.278 3.151 -10.570 246 HB1 ALA 32 HB1 ALA 32 -6.842 0.507 -10.832 247 HB2 ALA 32 HB2 ALA 32 -5.099 0.465 -10.561 248 HB3 ALA 32 HB3 ALA 32 -6.156 1.248 -9.386 249 H ILE 33 H ILE 33 -4.430 1.726 -13.178 250 HA ILE 33 HA ILE 33 -1.850 1.892 -12.223 251 HB ILE 33 HB ILE 33 -2.909 2.387 -15.000 252 HG12 ILE 33 HG12 ILE 33 -1.193 0.072 -14.260 253 HG13 ILE 33 HG13 ILE 33 -2.839 0.081 -13.636 254 HG21 ILE 33 HG21 ILE 33 -0.499 2.000 -15.695 255 HG22 ILE 33 HG22 ILE 33 -0.874 3.571 -14.989 256 HG23 ILE 33 HG23 ILE 33 -0.069 2.337 -14.019 257 HD11 ILE 33 HD11 ILE 33 -1.904 -0.627 -16.227 258 HD12 ILE 33 HD12 ILE 33 -3.538 -0.723 -15.569 259 HD13 ILE 33 HD13 ILE 33 -2.993 0.753 -16.366 260 H GLU 34 H GLU 34 -0.529 3.488 -11.637 261 HA GLU 34 HA GLU 34 -1.343 6.250 -12.247 262 HB2 GLU 34 HB2 GLU 34 0.415 5.252 -9.998 263 HB3 GLU 34 HB3 GLU 34 -0.092 6.916 -10.254 264 HG2 GLU 34 HG2 GLU 34 -2.389 5.212 -10.164 265 HG3 GLU 34 HG3 GLU 34 -1.376 4.932 -8.748 266 H ALA 35 H ALA 35 -0.303 6.320 -14.271 267 HA ALA 35 HA ALA 35 2.621 6.569 -14.077 268 HB1 ALA 35 HB1 ALA 35 2.048 5.775 -16.709 269 HB2 ALA 35 HB2 ALA 35 2.901 4.861 -15.465 270 HB3 ALA 35 HB3 ALA 35 1.157 4.678 -15.654 271 H ASP 36 H ASP 36 3.511 7.781 -16.029 272 HA ASP 36 HA ASP 36 1.848 10.151 -16.430 273 HB2 ASP 36 HB2 ASP 36 4.771 9.590 -16.476 274 HB3 ASP 36 HB3 ASP 36 4.179 10.887 -17.511 275 H GLY 37 H GLY 37 0.480 8.905 -17.952 276 HA2 GLY 37 HA2 GLY 37 0.098 9.435 -20.354 277 HA3 GLY 37 HA3 GLY 37 1.717 8.813 -20.636 278 H PHE 38 H PHE 38 -1.103 8.025 -21.517 279 HA PHE 38 HA PHE 38 -1.883 5.600 -20.448 280 HB2 PHE 38 HB2 PHE 38 -2.016 6.592 -23.298 281 HB3 PHE 38 HB3 PHE 38 -2.804 5.116 -22.751 282 HD1 PHE 38 HD2 PHE 38 -4.501 5.313 -20.858 283 HD2 PHE 38 HD1 PHE 38 -3.073 8.650 -23.081 284 HE1 PHE 38 HE2 PHE 38 -6.461 6.620 -20.148 285 HE2 PHE 38 HE1 PHE 38 -5.030 9.963 -22.375 286 HZ PHE 38 HZ PHE 38 -6.727 8.949 -20.906 287 H ARG 39 H ARG 39 -0.626 3.901 -20.060 288 HA ARG 39 HA ARG 39 1.001 2.842 -22.256 289 HB2 ARG 39 HB2 ARG 39 2.182 4.189 -20.204 290 HB3 ARG 39 HB3 ARG 39 2.198 2.545 -19.579 291 HG2 ARG 39 HG2 ARG 39 3.655 1.803 -21.171 292 HG3 ARG 39 HG3 ARG 39 3.138 3.000 -22.359 293 HD2 ARG 39 HD2 ARG 39 4.525 3.893 -19.871 294 HD3 ARG 39 HD3 ARG 39 5.469 3.210 -21.193 295 HE ARG 39 HE ARG 39 4.338 5.806 -21.087 296 HH11 ARG 39 HH11 ARG 39 4.995 3.176 -23.271 297 HH12 ARG 39 HH12 ARG 39 5.106 4.192 -24.670 298 HH21 ARG 39 HH21 ARG 39 4.482 7.155 -22.921 299 HH22 ARG 39 HH22 ARG 39 4.814 6.456 -24.469 300 H THR 40 H THR 40 2.078 0.660 -21.058 301 HA THR 40 HA THR 40 -0.095 -0.784 -19.737 302 HB THR 40 HB THR 40 -0.353 -1.151 -22.196 303 HG1 THR 40 HG1 THR 40 -0.110 -3.599 -21.879 304 HG21 THR 40 HG21 THR 40 2.285 -2.600 -21.942 305 HG22 THR 40 HG22 THR 40 2.054 -1.057 -22.763 306 HG23 THR 40 HG23 THR 40 1.269 -2.510 -23.380 307 H LEU 41 H LEU 41 0.707 -3.130 -19.267 308 HA LEU 41 HA LEU 41 3.446 -2.901 -18.218 309 HB2 LEU 41 HB2 LEU 41 1.004 -4.332 -17.239 310 HB3 LEU 41 HB3 LEU 41 2.612 -4.835 -16.719 311 HG LEU 41 HG LEU 41 2.967 -2.521 -15.843 312 HD11 LEU 41 HD11 LEU 41 1.566 -0.974 -16.642 313 HD12 LEU 41 HD12 LEU 41 0.439 -1.570 -15.424 314 HD13 LEU 41 HD13 LEU 41 0.345 -2.168 -17.081 315 HD21 LEU 41 HD21 LEU 41 2.194 -4.488 -14.475 316 HD22 LEU 41 HD22 LEU 41 0.554 -3.862 -14.642 317 HD23 LEU 41 HD23 LEU 41 1.786 -2.902 -13.821 318 H ASN 42 H ASN 42 4.653 -4.970 -18.038 319 HA ASN 42 HA ASN 42 4.015 -6.788 -20.266 320 HB2 ASN 42 HB2 ASN 42 6.843 -6.189 -19.441 321 HB3 ASN 42 HB3 ASN 42 6.252 -6.848 -20.964 322 HD21 ASN 42 HD21 ASN 42 7.973 -4.521 -20.339 323 HD22 ASN 42 HD22 ASN 42 7.218 -3.178 -21.121 324 H GLU 43 H GLU 43 3.912 -8.880 -19.757 325 HA GLU 43 HA GLU 43 3.952 -9.835 -17.164 326 HB2 GLU 43 HB2 GLU 43 2.881 -11.050 -18.977 327 HB3 GLU 43 HB3 GLU 43 4.439 -11.348 -19.734 328 HG2 GLU 43 HG2 GLU 43 5.113 -12.714 -17.832 329 HG3 GLU 43 HG3 GLU 43 3.560 -12.405 -17.057 330 H GLY 44 H GLY 44 5.489 -10.425 -15.766 331 HA2 GLY 44 HA2 GLY 44 7.547 -11.474 -15.182 332 HA3 GLY 44 HA3 GLY 44 8.164 -11.084 -16.781 333 H GLU 45 H GLU 45 6.813 -8.313 -16.165 334 HA GLU 45 HA GLU 45 9.265 -7.141 -15.150 335 HB2 GLU 45 HB2 GLU 45 8.015 -6.206 -17.119 336 HB3 GLU 45 HB3 GLU 45 6.733 -5.737 -16.011 337 HG2 GLU 45 HG2 GLU 45 7.880 -3.981 -15.212 338 HG3 GLU 45 HG3 GLU 45 9.425 -4.828 -15.267 339 H HIS 46 H HIS 46 9.212 -5.474 -13.469 340 HA HIS 46 HA HIS 46 7.480 -6.309 -11.269 341 HB2 HIS 46 HB2 HIS 46 9.652 -4.284 -10.934 342 HB3 HIS 46 HB3 HIS 46 9.091 -5.520 -9.812 343 HD1 HIS 46 HD1 HIS 46 10.139 -7.859 -10.004 344 HD2 HIS 46 HD2 HIS 46 11.581 -5.139 -12.794 345 HE1 HIS 46 HE1 HIS 46 12.166 -8.947 -11.019 346 H VAL 47 H VAL 47 6.036 -4.989 -10.263 347 HA VAL 47 HA VAL 47 5.923 -2.161 -10.869 348 HB VAL 47 HB VAL 47 3.625 -2.183 -11.693 349 HG11 VAL 47 HG11 VAL 47 5.594 -2.306 -13.249 350 HG12 VAL 47 HG12 VAL 47 5.288 -4.038 -13.385 351 HG13 VAL 47 HG13 VAL 47 4.069 -2.882 -13.922 352 HG21 VAL 47 HG21 VAL 47 2.443 -4.178 -12.226 353 HG22 VAL 47 HG22 VAL 47 3.853 -5.181 -11.884 354 HG23 VAL 47 HG23 VAL 47 3.023 -4.349 -10.569 355 H GLU 48 H GLU 48 4.817 -0.986 -9.342 356 HA GLU 48 HA GLU 48 4.156 -2.414 -6.904 357 HB2 GLU 48 HB2 GLU 48 5.522 -0.253 -7.033 358 HB3 GLU 48 HB3 GLU 48 3.994 0.563 -7.330 359 HG2 GLU 48 HG2 GLU 48 3.158 -0.001 -5.205 360 HG3 GLU 48 HG3 GLU 48 4.438 -1.181 -4.931 361 H PHE 49 H PHE 49 2.188 -1.793 -5.673 362 HA PHE 49 HA PHE 49 -0.057 -0.691 -7.038 363 HB2 PHE 49 HB2 PHE 49 -1.428 -2.713 -7.169 364 HB3 PHE 49 HB3 PHE 49 0.020 -2.884 -8.155 365 HD1 PHE 49 HD1 PHE 49 1.896 -4.296 -7.351 366 HD2 PHE 49 HD2 PHE 49 -1.861 -4.160 -5.354 367 HE1 PHE 49 HE1 PHE 49 2.444 -6.391 -6.183 368 HE2 PHE 49 HE2 PHE 49 -1.317 -6.254 -4.182 369 HZ PHE 49 HZ PHE 49 0.837 -7.373 -4.597 370 H GLU 50 H GLU 50 -1.465 0.071 -5.581 371 HA GLU 50 HA GLU 50 -1.061 -0.681 -2.782 372 HB2 GLU 50 HB2 GLU 50 -2.024 1.738 -4.191 373 HB3 GLU 50 HB3 GLU 50 -2.793 1.383 -2.651 374 HG2 GLU 50 HG2 GLU 50 0.125 1.193 -2.608 375 HG3 GLU 50 HG3 GLU 50 -0.497 2.802 -2.969 376 H VAL 51 H VAL 51 -2.243 -2.467 -2.356 377 HA VAL 51 HA VAL 51 -4.765 -3.057 -3.479 378 HB VAL 51 HB VAL 51 -4.949 -4.776 -1.717 379 HG11 VAL 51 HG11 VAL 51 -2.207 -5.309 -2.363 380 HG12 VAL 51 HG12 VAL 51 -3.671 -6.050 -3.013 381 HG13 VAL 51 HG13 VAL 51 -3.021 -4.585 -3.750 382 HG21 VAL 51 HG21 VAL 51 -2.949 -5.051 -0.199 383 HG22 VAL 51 HG22 VAL 51 -2.494 -3.406 -0.642 384 HG23 VAL 51 HG23 VAL 51 -4.023 -3.705 0.183 385 H GLU 52 H GLU 52 -6.689 -2.215 -3.055 386 HA GLU 52 HA GLU 52 -7.103 -0.904 -0.448 387 HB2 GLU 52 HB2 GLU 52 -7.553 0.026 -3.157 388 HB3 GLU 52 HB3 GLU 52 -9.033 0.087 -2.209 389 HG2 GLU 52 HG2 GLU 52 -8.009 2.185 -1.958 390 HG3 GLU 52 HG3 GLU 52 -7.718 1.320 -0.451 391 HA PRO 53 HA PRO 53 -10.516 -3.528 0.390 392 HB2 PRO 53 HB2 PRO 53 -12.266 -1.833 1.587 393 HB3 PRO 53 HB3 PRO 53 -10.780 -2.388 2.367 394 HG2 PRO 53 HG2 PRO 53 -11.328 0.195 0.956 395 HG3 PRO 53 HG3 PRO 53 -10.460 -0.087 2.477 396 HD2 PRO 53 HD2 PRO 53 -9.183 0.339 0.128 397 HD3 PRO 53 HD3 PRO 53 -8.519 -0.706 1.400 398 H GLY 54 H GLY 54 -12.590 -0.754 0.082 399 HA2 GLY 54 HA2 GLY 54 -14.232 -2.115 -1.843 400 HA3 GLY 54 HA3 GLY 54 -14.519 -0.518 -1.170 401 H ARG 55 H ARG 55 -12.078 -2.067 -3.263 402 HA ARG 55 HA ARG 55 -12.480 0.125 -5.182 403 HB2 ARG 55 HB2 ARG 55 -9.976 -0.769 -3.869 404 HB3 ARG 55 HB3 ARG 55 -9.874 -0.407 -5.587 405 HG2 ARG 55 HG2 ARG 55 -11.070 1.517 -3.619 406 HG3 ARG 55 HG3 ARG 55 -9.341 1.473 -3.971 407 HD2 ARG 55 HD2 ARG 55 -9.753 2.832 -5.684 408 HD3 ARG 55 HD3 ARG 55 -10.565 1.477 -6.465 409 HE ARG 55 HE ARG 55 -12.358 2.754 -4.715 410 HH11 ARG 55 HH11 ARG 55 -10.715 3.272 -7.740 411 HH12 ARG 55 HH12 ARG 55 -11.940 4.318 -8.377 412 HH21 ARG 55 HH21 ARG 55 -13.979 4.130 -5.542 413 HH22 ARG 55 HH22 ARG 55 -13.796 4.806 -7.125 414 H GLY 56 H GLY 56 -11.302 -3.168 -4.634 415 HA2 GLY 56 HA2 GLY 56 -11.709 -3.716 -7.506 416 HA3 GLY 56 HA3 GLY 56 -10.615 -4.616 -6.464 417 H GLY 57 H GLY 57 -12.828 -5.556 -8.170 418 HA2 GLY 57 HA2 GLY 57 -15.148 -6.221 -6.857 419 HA3 GLY 57 HA3 GLY 57 -14.369 -7.259 -8.042 420 H LYS 58 H LYS 58 -12.239 -8.286 -6.958 421 HA LYS 58 HA LYS 58 -13.230 -10.107 -5.023 422 HB2 LYS 58 HB2 LYS 58 -10.388 -9.603 -5.928 423 HB3 LYS 58 HB3 LYS 58 -10.925 -10.992 -4.991 424 HG2 LYS 58 HG2 LYS 58 -11.757 -10.293 -7.799 425 HG3 LYS 58 HG3 LYS 58 -10.680 -11.603 -7.309 426 HD2 LYS 58 HD2 LYS 58 -13.591 -11.341 -6.555 427 HD3 LYS 58 HD3 LYS 58 -12.943 -12.416 -7.795 428 HE2 LYS 58 HE2 LYS 58 -12.436 -12.513 -4.827 429 HE3 LYS 58 HE3 LYS 58 -13.294 -13.700 -5.809 430 HZ1 LYS 58 HZ1 LYS 58 -10.397 -13.138 -5.712 431 HZ2 LYS 58 HZ2 LYS 58 -11.086 -13.912 -7.049 432 HZ3 LYS 58 HZ3 LYS 58 -11.197 -14.616 -5.515 433 H GLY 59 H GLY 59 -11.986 -6.986 -4.736 434 HA2 GLY 59 HA2 GLY 59 -12.290 -6.096 -2.416 435 HA3 GLY 59 HA3 GLY 59 -11.310 -7.459 -1.897 436 HA PRO 60 HA PRO 60 -7.664 -5.067 -2.286 437 HB2 PRO 60 HB2 PRO 60 -5.862 -6.900 -3.159 438 HB3 PRO 60 HB3 PRO 60 -6.501 -6.891 -1.511 439 HG2 PRO 60 HG2 PRO 60 -7.319 -8.570 -3.852 440 HG3 PRO 60 HG3 PRO 60 -7.082 -9.047 -2.160 441 HD2 PRO 60 HD2 PRO 60 -9.534 -8.593 -3.217 442 HD3 PRO 60 HD3 PRO 60 -9.149 -8.256 -1.516 443 H GLN 61 H GLN 61 -7.564 -3.538 -3.818 444 HA GLN 61 HA GLN 61 -7.135 -4.394 -6.605 445 HB2 GLN 61 HB2 GLN 61 -9.240 -2.914 -5.685 446 HB3 GLN 61 HB3 GLN 61 -8.117 -1.654 -6.178 447 HG2 GLN 61 HG2 GLN 61 -7.935 -2.939 -8.382 448 HG3 GLN 61 HG3 GLN 61 -9.381 -3.794 -7.847 449 HE21 GLN 61 HE21 GLN 61 -10.639 -2.971 -9.500 450 HE22 GLN 61 HE22 GLN 61 -11.150 -1.321 -9.545 451 H ALA 62 H ALA 62 -5.945 -2.751 -7.934 452 HA ALA 62 HA ALA 62 -3.572 -1.925 -6.476 453 HB1 ALA 62 HB1 ALA 62 -4.258 -2.299 -9.354 454 HB2 ALA 62 HB2 ALA 62 -2.881 -1.286 -8.917 455 HB3 ALA 62 HB3 ALA 62 -2.927 -2.976 -8.414 456 H LYS 63 H LYS 63 -5.375 -0.331 -5.502 457 HA LYS 63 HA LYS 63 -6.349 1.887 -6.684 458 HB2 LYS 63 HB2 LYS 63 -5.953 1.132 -4.094 459 HB3 LYS 63 HB3 LYS 63 -4.878 2.518 -4.211 460 HG2 LYS 63 HG2 LYS 63 -7.832 2.479 -4.789 461 HG3 LYS 63 HG3 LYS 63 -7.030 3.225 -3.404 462 HD2 LYS 63 HD2 LYS 63 -7.156 5.087 -4.674 463 HD3 LYS 63 HD3 LYS 63 -5.707 4.421 -5.429 464 HE2 LYS 63 HE2 LYS 63 -6.794 4.444 -7.368 465 HE3 LYS 63 HE3 LYS 63 -7.854 3.190 -6.726 466 HZ1 LYS 63 HZ1 LYS 63 -9.280 4.881 -7.407 467 HZ2 LYS 63 HZ2 LYS 63 -8.296 6.111 -6.792 468 HZ3 LYS 63 HZ3 LYS 63 -9.164 5.115 -5.736 469 H LYS 64 H LYS 64 -2.974 1.396 -5.742 470 HA LYS 64 HA LYS 64 -2.243 3.635 -7.503 471 HB2 LYS 64 HB2 LYS 64 -2.128 4.243 -5.050 472 HB3 LYS 64 HB3 LYS 64 -0.853 3.042 -4.889 473 HG2 LYS 64 HG2 LYS 64 -0.614 5.208 -6.930 474 HG3 LYS 64 HG3 LYS 64 -0.238 5.533 -5.237 475 HD2 LYS 64 HD2 LYS 64 1.033 3.449 -7.009 476 HD3 LYS 64 HD3 LYS 64 1.786 4.924 -6.399 477 HE2 LYS 64 HE2 LYS 64 1.248 3.976 -4.067 478 HE3 LYS 64 HE3 LYS 64 1.012 2.442 -4.902 479 HZ1 LYS 64 HZ1 LYS 64 3.334 3.099 -3.946 480 HZ2 LYS 64 HZ2 LYS 64 3.478 3.947 -5.402 481 HZ3 LYS 64 HZ3 LYS 64 3.215 2.276 -5.419 482 H VAL 65 H VAL 65 -1.482 2.435 -9.178 483 HA VAL 65 HA VAL 65 0.502 0.347 -8.614 484 HB VAL 65 HB VAL 65 -1.550 0.653 -10.614 485 HG11 VAL 65 HG11 VAL 65 0.180 1.516 -12.059 486 HG12 VAL 65 HG12 VAL 65 1.246 0.173 -11.640 487 HG13 VAL 65 HG13 VAL 65 -0.232 -0.125 -12.556 488 HG21 VAL 65 HG21 VAL 65 -0.894 -1.311 -9.084 489 HG22 VAL 65 HG22 VAL 65 -1.407 -1.671 -10.733 490 HG23 VAL 65 HG23 VAL 65 0.308 -1.682 -10.321 491 H ARG 66 H ARG 66 2.557 0.394 -9.469 492 HA ARG 66 HA ARG 66 3.345 2.812 -10.943 493 HB2 ARG 66 HB2 ARG 66 4.959 1.612 -8.689 494 HB3 ARG 66 HB3 ARG 66 5.319 3.081 -9.586 495 HG2 ARG 66 HG2 ARG 66 2.812 3.584 -8.600 496 HG3 ARG 66 HG3 ARG 66 3.569 2.664 -7.298 497 HD2 ARG 66 HD2 ARG 66 4.601 5.184 -8.590 498 HD3 ARG 66 HD3 ARG 66 3.984 5.007 -6.948 499 HE ARG 66 HE ARG 66 6.038 3.271 -6.987 500 HH11 ARG 66 HH11 ARG 66 5.762 6.610 -7.932 501 HH12 ARG 66 HH12 ARG 66 7.411 6.988 -7.557 502 HH21 ARG 66 HH21 ARG 66 8.211 3.755 -6.491 503 HH22 ARG 66 HH22 ARG 66 8.803 5.363 -6.739 504 H ARG 67 H ARG 67 5.177 2.584 -12.291 505 HA ARG 67 HA ARG 67 5.554 -0.137 -13.241 506 HB2 ARG 67 HB2 ARG 67 6.772 0.957 -15.113 507 HB3 ARG 67 HB3 ARG 67 5.124 1.539 -14.919 508 HG2 ARG 67 HG2 ARG 67 7.013 3.130 -13.408 509 HG3 ARG 67 HG3 ARG 67 7.410 3.078 -15.127 510 HD2 ARG 67 HD2 ARG 67 4.761 3.478 -15.286 511 HD3 ARG 67 HD3 ARG 67 5.085 4.268 -13.744 512 HE ARG 67 HE ARG 67 5.755 5.242 -16.328 513 HH11 ARG 67 HH11 ARG 67 6.861 5.141 -13.028 514 HH12 ARG 67 HH12 ARG 67 7.760 6.617 -13.147 515 HH21 ARG 67 HH21 ARG 67 6.935 7.186 -16.497 516 HH22 ARG 67 HH22 ARG 67 7.801 7.780 -15.120 517 H ILE 68 H ILE 68 7.367 -1.318 -13.024 518 HA ILE 68 HA ILE 68 9.815 -0.026 -12.074 519 HB ILE 68 HB ILE 68 8.794 -2.540 -10.767 520 HG12 ILE 68 HG12 ILE 68 8.233 0.318 -10.157 521 HG13 ILE 68 HG13 ILE 68 7.223 -1.103 -9.912 522 HG21 ILE 68 HG21 ILE 68 10.543 -2.235 -9.212 523 HG22 ILE 68 HG22 ILE 68 11.260 -1.971 -10.800 524 HG23 ILE 68 HG23 ILE 68 10.859 -0.594 -9.774 525 HD11 ILE 68 HD11 ILE 68 8.836 -1.723 -8.048 526 HD12 ILE 68 HD12 ILE 68 9.449 -0.075 -8.193 527 HD13 ILE 68 HD13 ILE 68 7.760 -0.354 -7.769 Start of MODEL 17 1 H1 MET 1 H MET 1 -0.571 -0.963 0.031 2 HA MET 1 HA MET 1 1.146 -0.330 -1.990 3 HB2 MET 1 HB2 MET 1 0.733 1.140 -0.084 4 HB3 MET 1 HB3 MET 1 1.625 0.052 0.971 5 HG2 MET 1 HG2 MET 1 3.030 1.898 0.437 6 HG3 MET 1 HG3 MET 1 3.649 0.474 -0.396 7 HE1 MET 1 HE1 MET 1 3.977 3.538 -0.496 8 HE2 MET 1 HE2 MET 1 4.717 3.412 -2.092 9 HE3 MET 1 HE3 MET 1 3.269 4.395 -1.866 10 H LYS 2 H LYS 2 1.968 -2.321 -2.825 11 HA LYS 2 HA LYS 2 4.490 -3.076 -1.578 12 HB2 LYS 2 HB2 LYS 2 2.240 -4.996 -2.148 13 HB3 LYS 2 HB3 LYS 2 3.912 -5.529 -2.044 14 HG2 LYS 2 HG2 LYS 2 2.358 -4.156 0.139 15 HG3 LYS 2 HG3 LYS 2 2.743 -5.877 0.057 16 HD2 LYS 2 HD2 LYS 2 5.184 -5.171 -0.021 17 HD3 LYS 2 HD3 LYS 2 4.625 -3.560 0.434 18 HE2 LYS 2 HE2 LYS 2 4.054 -4.206 2.545 19 HE3 LYS 2 HE3 LYS 2 3.669 -5.855 2.054 20 HZ1 LYS 2 HZ1 LYS 2 5.607 -6.330 3.038 21 HZ2 LYS 2 HZ2 LYS 2 6.175 -4.739 2.960 22 HZ3 LYS 2 HZ3 LYS 2 6.311 -5.752 1.612 23 H LYS 3 H LYS 3 5.895 -4.289 -3.036 24 HA LYS 3 HA LYS 3 5.281 -3.706 -5.858 25 HB2 LYS 3 HB2 LYS 3 8.048 -4.060 -4.723 26 HB3 LYS 3 HB3 LYS 3 7.586 -3.334 -6.257 27 HG2 LYS 3 HG2 LYS 3 6.649 -1.426 -5.124 28 HG3 LYS 3 HG3 LYS 3 6.955 -2.169 -3.553 29 HD2 LYS 3 HD2 LYS 3 9.184 -1.672 -5.499 30 HD3 LYS 3 HD3 LYS 3 8.615 -0.399 -4.416 31 HE2 LYS 3 HE2 LYS 3 9.003 -1.963 -2.506 32 HE3 LYS 3 HE3 LYS 3 9.742 -3.087 -3.646 33 HZ1 LYS 3 HZ1 LYS 3 10.689 -0.303 -3.263 34 HZ2 LYS 3 HZ2 LYS 3 11.464 -1.548 -4.106 35 HZ3 LYS 3 HZ3 LYS 3 11.328 -1.625 -2.421 36 H GLY 4 H GLY 4 5.352 -5.317 -7.325 37 HA2 GLY 4 HA2 GLY 4 6.791 -7.765 -6.830 38 HA3 GLY 4 HA3 GLY 4 5.047 -7.948 -6.720 39 H THR 5 H THR 5 6.248 -9.439 -8.563 40 HA THR 5 HA THR 5 6.460 -8.137 -11.109 41 HB THR 5 HB THR 5 6.356 -10.623 -11.915 42 HG1 THR 5 HG1 THR 5 5.574 -11.412 -9.871 43 HG21 THR 5 HG21 THR 5 8.659 -10.724 -11.774 44 HG22 THR 5 HG22 THR 5 8.695 -10.051 -10.145 45 HG23 THR 5 HG23 THR 5 8.375 -9.003 -11.525 46 H VAL 6 H VAL 6 5.087 -8.442 -12.921 47 HA VAL 6 HA VAL 6 2.274 -8.714 -12.175 48 HB VAL 6 HB VAL 6 3.035 -6.716 -13.464 49 HG11 VAL 6 HG11 VAL 6 4.076 -6.832 -15.452 50 HG12 VAL 6 HG12 VAL 6 4.480 -8.474 -14.946 51 HG13 VAL 6 HG13 VAL 6 3.094 -8.190 -16.000 52 HG21 VAL 6 HG21 VAL 6 1.242 -7.223 -15.389 53 HG22 VAL 6 HG22 VAL 6 0.866 -8.548 -14.288 54 HG23 VAL 6 HG23 VAL 6 0.789 -6.881 -13.719 55 H LYS 7 H LYS 7 1.080 -10.426 -12.699 56 HA LYS 7 HA LYS 7 2.253 -12.687 -13.979 57 HB2 LYS 7 HB2 LYS 7 0.316 -12.480 -12.176 58 HB3 LYS 7 HB3 LYS 7 -0.701 -12.478 -13.611 59 HG2 LYS 7 HG2 LYS 7 -0.185 -14.642 -14.150 60 HG3 LYS 7 HG3 LYS 7 1.379 -14.589 -13.333 61 HD2 LYS 7 HD2 LYS 7 -0.294 -16.011 -12.175 62 HD3 LYS 7 HD3 LYS 7 0.313 -14.688 -11.177 63 HE2 LYS 7 HE2 LYS 7 -1.725 -13.813 -10.956 64 HE3 LYS 7 HE3 LYS 7 -2.022 -13.897 -12.691 65 HZ1 LYS 7 HZ1 LYS 7 -3.632 -15.252 -11.670 66 HZ2 LYS 7 HZ2 LYS 7 -2.498 -16.005 -10.666 67 HZ3 LYS 7 HZ3 LYS 7 -2.499 -16.322 -12.328 68 H TRP 8 H TRP 8 -0.061 -10.213 -14.955 69 HA TRP 8 HA TRP 8 0.558 -10.441 -17.687 70 HB2 TRP 8 HB2 TRP 8 -1.562 -11.389 -18.531 71 HB3 TRP 8 HB3 TRP 8 -0.648 -12.555 -17.578 72 HD1 TRP 8 HD1 TRP 8 -3.454 -9.968 -16.800 73 HE1 TRP 8 HE1 TRP 8 -5.145 -11.100 -15.225 74 HE3 TRP 8 HE3 TRP 8 -1.190 -14.527 -16.321 75 HZ2 TRP 8 HZ2 TRP 8 -5.476 -13.595 -13.947 76 HZ3 TRP 8 HZ3 TRP 8 -2.259 -16.231 -14.903 77 HH2 TRP 8 HH2 TRP 8 -4.357 -15.773 -13.741 78 H PHE 9 H PHE 9 -0.522 -8.889 -18.970 79 HA PHE 9 HA PHE 9 -2.472 -7.175 -17.626 80 HB2 PHE 9 HB2 PHE 9 -0.180 -6.246 -17.207 81 HB3 PHE 9 HB3 PHE 9 0.007 -6.058 -18.947 82 HD1 PHE 9 HD1 PHE 9 -1.320 -4.408 -20.169 83 HD2 PHE 9 HD2 PHE 9 -1.551 -4.760 -15.933 84 HE1 PHE 9 HE1 PHE 9 -2.399 -2.200 -20.047 85 HE2 PHE 9 HE2 PHE 9 -2.630 -2.553 -15.805 86 HZ PHE 9 HZ PHE 9 -3.056 -1.270 -17.864 87 H ASN 10 H ASN 10 -4.109 -7.595 -19.018 88 HA ASN 10 HA ASN 10 -3.680 -7.638 -21.874 89 HB2 ASN 10 HB2 ASN 10 -5.388 -9.026 -20.455 90 HB3 ASN 10 HB3 ASN 10 -6.397 -7.590 -20.606 91 HD21 ASN 10 HD21 ASN 10 -7.873 -8.924 -21.770 92 HD22 ASN 10 HD22 ASN 10 -7.605 -9.267 -23.442 93 H ALA 11 H ALA 11 -3.632 -5.878 -23.091 94 HA ALA 11 HA ALA 11 -4.552 -3.339 -22.066 95 HB1 ALA 11 HB1 ALA 11 -3.806 -2.742 -24.567 96 HB2 ALA 11 HB2 ALA 11 -2.662 -2.911 -23.235 97 HB3 ALA 11 HB3 ALA 11 -2.918 -4.251 -24.353 98 H GLU 12 H GLU 12 -5.763 -5.831 -24.105 99 HA GLU 12 HA GLU 12 -7.520 -4.354 -25.727 100 HB2 GLU 12 HB2 GLU 12 -7.440 -7.204 -24.796 101 HB3 GLU 12 HB3 GLU 12 -8.830 -6.611 -25.695 102 HG2 GLU 12 HG2 GLU 12 -5.970 -6.608 -26.632 103 HG3 GLU 12 HG3 GLU 12 -7.250 -7.694 -27.172 104 H LYS 13 H LYS 13 -7.790 -5.546 -22.446 105 HA LYS 13 HA LYS 13 -10.526 -4.479 -22.283 106 HB2 LYS 13 HB2 LYS 13 -9.095 -6.346 -20.382 107 HB3 LYS 13 HB3 LYS 13 -10.772 -5.830 -20.257 108 HG2 LYS 13 HG2 LYS 13 -10.696 -6.866 -22.777 109 HG3 LYS 13 HG3 LYS 13 -9.559 -7.907 -21.916 110 HD2 LYS 13 HD2 LYS 13 -11.202 -8.540 -20.329 111 HD3 LYS 13 HD3 LYS 13 -12.309 -7.274 -20.866 112 HE2 LYS 13 HE2 LYS 13 -11.399 -9.448 -22.722 113 HE3 LYS 13 HE3 LYS 13 -12.754 -9.693 -21.621 114 HZ1 LYS 13 HZ1 LYS 13 -12.553 -7.579 -23.698 115 HZ2 LYS 13 HZ2 LYS 13 -13.840 -7.761 -22.616 116 HZ3 LYS 13 HZ3 LYS 13 -13.531 -8.958 -23.770 117 H GLY 14 H GLY 14 -7.342 -4.390 -20.758 118 HA2 GLY 14 HA2 GLY 14 -6.429 -2.387 -19.856 119 HA3 GLY 14 HA3 GLY 14 -8.063 -1.797 -19.588 120 H TYR 15 H TYR 15 -6.581 -4.887 -18.664 121 HA TYR 15 HA TYR 15 -6.704 -4.106 -15.852 122 HB2 TYR 15 HB2 TYR 15 -8.095 -5.855 -15.165 123 HB3 TYR 15 HB3 TYR 15 -8.869 -5.287 -16.640 124 HD1 TYR 15 HD1 TYR 15 -7.853 -6.526 -18.839 125 HD2 TYR 15 HD2 TYR 15 -7.990 -8.136 -14.903 126 HE1 TYR 15 HE1 TYR 15 -7.753 -8.800 -19.772 127 HE2 TYR 15 HE2 TYR 15 -7.888 -10.414 -15.825 128 HH TYR 15 HH TYR 15 -7.226 -11.013 -19.173 129 H GLY 16 H GLY 16 -5.694 -5.814 -14.434 130 HA2 GLY 16 HA2 GLY 16 -3.928 -7.713 -15.682 131 HA3 GLY 16 HA3 GLY 16 -3.088 -6.296 -15.070 132 H PHE 17 H PHE 17 -2.236 -8.481 -13.964 133 HA PHE 17 HA PHE 17 -3.374 -8.405 -11.270 134 HB2 PHE 17 HB2 PHE 17 -3.062 -10.840 -12.990 135 HB3 PHE 17 HB3 PHE 17 -2.896 -10.978 -11.242 136 HD1 PHE 17 HD1 PHE 17 -5.210 -9.710 -13.862 137 HD2 PHE 17 HD2 PHE 17 -4.775 -11.270 -9.926 138 HE1 PHE 17 HE1 PHE 17 -7.658 -9.841 -13.648 139 HE2 PHE 17 HE2 PHE 17 -7.222 -11.404 -9.705 140 HZ PHE 17 HZ PHE 17 -8.667 -10.690 -11.567 141 H ILE 18 H ILE 18 -1.833 -8.070 -9.816 142 HA ILE 18 HA ILE 18 0.929 -8.841 -10.502 143 HB ILE 18 HB ILE 18 0.138 -6.555 -8.699 144 HG12 ILE 18 HG12 ILE 18 1.348 -6.055 -11.366 145 HG13 ILE 18 HG13 ILE 18 -0.349 -6.524 -11.340 146 HG21 ILE 18 HG21 ILE 18 2.765 -7.395 -9.914 147 HG22 ILE 18 HG22 ILE 18 2.502 -5.884 -9.044 148 HG23 ILE 18 HG23 ILE 18 2.323 -7.426 -8.207 149 HD11 ILE 18 HD11 ILE 18 -0.582 -4.276 -11.212 150 HD12 ILE 18 HD12 ILE 18 -0.449 -4.633 -9.490 151 HD13 ILE 18 HD13 ILE 18 0.956 -4.049 -10.381 152 H GLN 19 H GLN 19 2.272 -9.590 -8.816 153 HA GLN 19 HA GLN 19 0.901 -10.321 -6.322 154 HB2 GLN 19 HB2 GLN 19 2.313 -12.490 -6.481 155 HB3 GLN 19 HB3 GLN 19 0.828 -12.371 -7.415 156 HG2 GLN 19 HG2 GLN 19 2.971 -11.354 -8.985 157 HG3 GLN 19 HG3 GLN 19 3.439 -12.922 -8.329 158 HE21 GLN 19 HE21 GLN 19 0.207 -11.812 -9.173 159 HE22 GLN 19 HE22 GLN 19 -0.064 -12.972 -10.425 160 H GLN 20 H GLN 20 2.007 -9.792 -4.554 161 HA GLN 20 HA GLN 20 4.760 -8.866 -4.861 162 HB2 GLN 20 HB2 GLN 20 4.460 -7.855 -2.649 163 HB3 GLN 20 HB3 GLN 20 3.183 -7.361 -3.753 164 HG2 GLN 20 HG2 GLN 20 2.494 -9.738 -2.231 165 HG3 GLN 20 HG3 GLN 20 2.849 -8.346 -1.209 166 HE21 GLN 20 HE21 GLN 20 1.494 -6.591 -1.232 167 HE22 GLN 20 HE22 GLN 20 -0.046 -6.598 -2.016 168 H GLU 21 H GLU 21 5.774 -9.187 -2.352 169 HA GLU 21 HA GLU 21 6.751 -11.809 -2.400 170 HB2 GLU 21 HB2 GLU 21 6.726 -9.864 -0.085 171 HB3 GLU 21 HB3 GLU 21 7.743 -11.293 -0.212 172 HG2 GLU 21 HG2 GLU 21 8.619 -10.223 -2.376 173 HG3 GLU 21 HG3 GLU 21 7.886 -8.741 -1.766 174 H GLU 22 H GLU 22 3.842 -10.547 -1.135 175 HA GLU 22 HA GLU 22 3.309 -12.219 1.018 176 HB2 GLU 22 HB2 GLU 22 1.505 -10.939 -1.024 177 HB3 GLU 22 HB3 GLU 22 0.866 -11.909 0.295 178 HG2 GLU 22 HG2 GLU 22 2.412 -9.342 0.478 179 HG3 GLU 22 HG3 GLU 22 0.744 -9.643 0.963 180 H GLY 23 H GLY 23 1.703 -12.693 -2.118 181 HA2 GLY 23 HA2 GLY 23 2.597 -15.204 -2.782 182 HA3 GLY 23 HA3 GLY 23 1.323 -15.482 -1.604 183 HA PRO 24 HA PRO 24 -1.834 -14.984 -4.601 184 HB2 PRO 24 HB2 PRO 24 -3.590 -13.220 -3.518 185 HB3 PRO 24 HB3 PRO 24 -3.391 -14.869 -2.915 186 HG2 PRO 24 HG2 PRO 24 -2.247 -12.314 -1.854 187 HG3 PRO 24 HG3 PRO 24 -2.964 -13.673 -0.968 188 HD2 PRO 24 HD2 PRO 24 -0.288 -13.326 -1.186 189 HD3 PRO 24 HD3 PRO 24 -1.038 -14.932 -1.089 190 H ASP 25 H ASP 25 -2.966 -13.512 -6.090 191 HA ASP 25 HA ASP 25 -1.209 -11.341 -6.891 192 HB2 ASP 25 HB2 ASP 25 -2.766 -11.264 -8.898 193 HB3 ASP 25 HB3 ASP 25 -1.857 -12.757 -8.682 194 H VAL 26 H VAL 26 -2.766 -9.540 -8.106 195 HA VAL 26 HA VAL 26 -4.775 -8.645 -6.170 196 HB VAL 26 HB VAL 26 -2.244 -7.581 -6.117 197 HG11 VAL 26 HG11 VAL 26 -3.957 -5.602 -7.607 198 HG12 VAL 26 HG12 VAL 26 -2.269 -5.422 -7.123 199 HG13 VAL 26 HG13 VAL 26 -2.710 -6.586 -8.373 200 HG21 VAL 26 HG21 VAL 26 -3.591 -7.208 -4.280 201 HG22 VAL 26 HG22 VAL 26 -3.501 -5.596 -4.990 202 HG23 VAL 26 HG23 VAL 26 -4.930 -6.596 -5.252 203 H PHE 27 H PHE 27 -6.285 -7.132 -6.998 204 HA PHE 27 HA PHE 27 -6.699 -7.404 -9.853 205 HB2 PHE 27 HB2 PHE 27 -8.514 -7.633 -8.057 206 HB3 PHE 27 HB3 PHE 27 -8.457 -5.878 -7.939 207 HD1 PHE 27 HD1 PHE 27 -8.736 -8.527 -10.552 208 HD2 PHE 27 HD2 PHE 27 -9.952 -4.680 -9.197 209 HE1 PHE 27 HE1 PHE 27 -10.294 -8.356 -12.449 210 HE2 PHE 27 HE2 PHE 27 -11.512 -4.502 -11.091 211 HZ PHE 27 HZ PHE 27 -11.686 -6.342 -12.719 212 H VAL 28 H VAL 28 -5.824 -6.010 -11.222 213 HA VAL 28 HA VAL 28 -5.638 -3.179 -10.421 214 HB VAL 28 HB VAL 28 -3.557 -2.917 -11.426 215 HG11 VAL 28 HG11 VAL 28 -2.354 -4.086 -9.957 216 HG12 VAL 28 HG12 VAL 28 -3.863 -4.878 -9.501 217 HG13 VAL 28 HG13 VAL 28 -2.802 -5.622 -10.698 218 HG21 VAL 28 HG21 VAL 28 -3.409 -3.767 -13.495 219 HG22 VAL 28 HG22 VAL 28 -2.725 -5.185 -12.700 220 HG23 VAL 28 HG23 VAL 28 -4.441 -5.143 -13.107 221 H HIS 29 H HIS 29 -5.874 -1.623 -12.100 222 HA HIS 29 HA HIS 29 -6.787 -2.540 -14.702 223 HB2 HIS 29 HB2 HIS 29 -8.579 -1.501 -12.612 224 HB3 HIS 29 HB3 HIS 29 -8.752 -0.713 -14.177 225 HD1 HIS 29 HD1 HIS 29 -10.149 -1.900 -15.861 226 HD2 HIS 29 HD2 HIS 29 -8.940 -4.408 -12.777 227 HE1 HIS 29 HE1 HIS 29 -11.355 -4.073 -16.249 228 H PHE 30 H PHE 30 -7.066 -0.754 -16.237 229 HA PHE 30 HA PHE 30 -4.921 1.034 -16.181 230 HB2 PHE 30 HB2 PHE 30 -5.763 1.914 -18.211 231 HB3 PHE 30 HB3 PHE 30 -6.249 0.222 -18.204 232 HD1 PHE 30 HD2 PHE 30 -8.626 -0.288 -17.327 233 HD2 PHE 30 HD1 PHE 30 -7.333 3.564 -18.596 234 HE1 PHE 30 HE2 PHE 30 -10.969 0.382 -17.669 235 HE2 PHE 30 HE1 PHE 30 -9.673 4.240 -18.938 236 HZ PHE 30 HZ PHE 30 -11.495 2.649 -18.474 237 H THR 31 H THR 31 -8.010 1.234 -14.728 238 HA THR 31 HA THR 31 -8.021 4.124 -14.524 239 HB THR 31 HB THR 31 -9.979 3.504 -12.861 240 HG1 THR 31 HG1 THR 31 -10.876 1.497 -13.329 241 HG21 THR 31 HG21 THR 31 -10.013 4.530 -15.234 242 HG22 THR 31 HG22 THR 31 -11.487 3.782 -14.619 243 HG23 THR 31 HG23 THR 31 -10.464 2.910 -15.761 244 H ALA 32 H ALA 32 -6.183 1.904 -13.097 245 HA ALA 32 HA ALA 32 -6.146 3.336 -10.520 246 HB1 ALA 32 HB1 ALA 32 -6.035 1.425 -9.336 247 HB2 ALA 32 HB2 ALA 32 -6.796 0.728 -10.766 248 HB3 ALA 32 HB3 ALA 32 -5.050 0.606 -10.549 249 H ILE 33 H ILE 33 -4.306 1.855 -13.107 250 HA ILE 33 HA ILE 33 -1.733 1.975 -12.126 251 HB ILE 33 HB ILE 33 -2.721 2.503 -14.926 252 HG12 ILE 33 HG12 ILE 33 -1.194 0.077 -14.115 253 HG13 ILE 33 HG13 ILE 33 -2.867 0.203 -13.582 254 HG21 ILE 33 HG21 ILE 33 -0.024 2.684 -13.783 255 HG22 ILE 33 HG22 ILE 33 -0.152 1.695 -15.237 256 HG23 ILE 33 HG23 ILE 33 -0.680 3.378 -15.266 257 HD11 ILE 33 HD11 ILE 33 -1.806 -0.485 -16.166 258 HD12 ILE 33 HD12 ILE 33 -3.447 -0.647 -15.539 259 HD13 ILE 33 HD13 ILE 33 -2.930 0.869 -16.278 260 H GLU 34 H GLU 34 -0.297 3.535 -11.675 261 HA GLU 34 HA GLU 34 -1.088 6.313 -12.248 262 HB2 GLU 34 HB2 GLU 34 0.608 5.206 -10.004 263 HB3 GLU 34 HB3 GLU 34 0.344 6.919 -10.300 264 HG2 GLU 34 HG2 GLU 34 -2.028 5.161 -9.979 265 HG3 GLU 34 HG3 GLU 34 -1.089 5.584 -8.549 266 H ALA 35 H ALA 35 -0.095 6.397 -14.283 267 HA ALA 35 HA ALA 35 2.825 6.647 -14.156 268 HB1 ALA 35 HB1 ALA 35 2.927 4.672 -15.244 269 HB2 ALA 35 HB2 ALA 35 1.277 4.799 -15.857 270 HB3 ALA 35 HB3 ALA 35 2.583 5.680 -16.650 271 H ASP 36 H ASP 36 3.639 7.694 -16.272 272 HA ASP 36 HA ASP 36 1.814 9.911 -16.922 273 HB2 ASP 36 HB2 ASP 36 4.728 9.758 -16.415 274 HB3 ASP 36 HB3 ASP 36 4.225 10.845 -17.706 275 H GLY 37 H GLY 37 0.859 8.461 -18.550 276 HA2 GLY 37 HA2 GLY 37 0.865 8.845 -21.027 277 HA3 GLY 37 HA3 GLY 37 2.536 8.303 -20.978 278 H PHE 38 H PHE 38 2.787 6.308 -21.699 279 HA PHE 38 HA PHE 38 0.738 4.523 -22.261 280 HB2 PHE 38 HB2 PHE 38 3.631 3.852 -21.682 281 HB3 PHE 38 HB3 PHE 38 2.488 2.835 -22.552 282 HD1 PHE 38 HD2 PHE 38 1.295 4.145 -24.580 283 HD2 PHE 38 HD1 PHE 38 5.128 5.025 -22.950 284 HE1 PHE 38 HE2 PHE 38 1.943 5.224 -26.695 285 HE2 PHE 38 HE1 PHE 38 5.781 6.105 -25.061 286 HZ PHE 38 HZ PHE 38 4.189 6.207 -26.937 287 H ARG 39 H ARG 39 -0.636 3.668 -20.850 288 HA ARG 39 HA ARG 39 0.289 2.977 -18.163 289 HB2 ARG 39 HB2 ARG 39 -2.078 2.779 -17.595 290 HB3 ARG 39 HB3 ARG 39 -1.746 4.333 -18.347 291 HG2 ARG 39 HG2 ARG 39 -2.499 3.196 -20.530 292 HG3 ARG 39 HG3 ARG 39 -3.201 1.974 -19.468 293 HD2 ARG 39 HD2 ARG 39 -4.864 3.643 -20.030 294 HD3 ARG 39 HD3 ARG 39 -4.471 3.734 -18.314 295 HE ARG 39 HE ARG 39 -2.820 5.566 -19.434 296 HH11 ARG 39 HH11 ARG 39 -6.253 5.010 -19.589 297 HH12 ARG 39 HH12 ARG 39 -6.645 6.682 -19.819 298 HH21 ARG 39 HH21 ARG 39 -3.324 7.770 -19.737 299 HH22 ARG 39 HH22 ARG 39 -4.978 8.251 -19.904 300 H THR 40 H THR 40 1.327 1.310 -20.058 301 HA THR 40 HA THR 40 -0.222 -1.170 -19.675 302 HB THR 40 HB THR 40 -0.175 -0.575 -22.041 303 HG1 THR 40 HG1 THR 40 -0.051 -2.679 -22.205 304 HG21 THR 40 HG21 THR 40 2.826 -0.610 -21.707 305 HG22 THR 40 HG22 THR 40 1.823 0.779 -22.127 306 HG23 THR 40 HG23 THR 40 1.990 -0.562 -23.259 307 H LEU 41 H LEU 41 0.862 -2.986 -18.996 308 HA LEU 41 HA LEU 41 3.655 -2.568 -18.163 309 HB2 LEU 41 HB2 LEU 41 1.493 -4.297 -16.978 310 HB3 LEU 41 HB3 LEU 41 3.181 -4.353 -16.477 311 HG LEU 41 HG LEU 41 2.072 -3.055 -14.859 312 HD11 LEU 41 HD11 LEU 41 3.203 -0.997 -14.953 313 HD12 LEU 41 HD12 LEU 41 3.185 -0.972 -16.716 314 HD13 LEU 41 HD13 LEU 41 4.211 -2.124 -15.860 315 HD21 LEU 41 HD21 LEU 41 0.982 -0.909 -16.434 316 HD22 LEU 41 HD22 LEU 41 0.189 -1.944 -15.246 317 HD23 LEU 41 HD23 LEU 41 0.294 -2.455 -16.932 318 H ASN 42 H ASN 42 4.760 -4.829 -17.803 319 HA ASN 42 HA ASN 42 4.152 -6.563 -20.101 320 HB2 ASN 42 HB2 ASN 42 6.975 -5.960 -19.242 321 HB3 ASN 42 HB3 ASN 42 6.420 -6.685 -20.748 322 HD21 ASN 42 HD21 ASN 42 4.770 -5.164 -21.910 323 HD22 ASN 42 HD22 ASN 42 5.312 -3.533 -22.092 324 H GLU 43 H GLU 43 4.008 -8.657 -19.613 325 HA GLU 43 HA GLU 43 4.014 -9.644 -17.035 326 HB2 GLU 43 HB2 GLU 43 2.950 -10.827 -18.873 327 HB3 GLU 43 HB3 GLU 43 4.513 -11.132 -19.618 328 HG2 GLU 43 HG2 GLU 43 5.106 -12.398 -17.499 329 HG3 GLU 43 HG3 GLU 43 3.391 -12.312 -17.101 330 H GLY 44 H GLY 44 5.505 -10.403 -15.648 331 HA2 GLY 44 HA2 GLY 44 7.546 -11.421 -15.029 332 HA3 GLY 44 HA3 GLY 44 8.184 -11.058 -16.626 333 H GLU 45 H GLU 45 6.890 -8.251 -16.033 334 HA GLU 45 HA GLU 45 9.363 -7.128 -15.015 335 HB2 GLU 45 HB2 GLU 45 8.138 -6.175 -16.991 336 HB3 GLU 45 HB3 GLU 45 6.864 -5.674 -15.888 337 HG2 GLU 45 HG2 GLU 45 8.040 -3.932 -15.110 338 HG3 GLU 45 HG3 GLU 45 9.564 -4.818 -15.127 339 H HIS 46 H HIS 46 9.350 -5.463 -13.337 340 HA HIS 46 HA HIS 46 7.621 -6.262 -11.128 341 HB2 HIS 46 HB2 HIS 46 9.731 -4.195 -10.770 342 HB3 HIS 46 HB3 HIS 46 9.256 -5.514 -9.703 343 HD1 HIS 46 HD1 HIS 46 10.378 -7.810 -10.084 344 HD2 HIS 46 HD2 HIS 46 11.707 -4.825 -12.649 345 HE1 HIS 46 HE1 HIS 46 12.450 -8.731 -11.171 346 H VAL 47 H VAL 47 6.182 -4.938 -10.114 347 HA VAL 47 HA VAL 47 6.036 -2.121 -10.745 348 HB VAL 47 HB VAL 47 3.724 -2.179 -11.560 349 HG11 VAL 47 HG11 VAL 47 5.642 -2.174 -13.136 350 HG12 VAL 47 HG12 VAL 47 5.509 -3.931 -13.244 351 HG13 VAL 47 HG13 VAL 47 4.185 -2.908 -13.805 352 HG21 VAL 47 HG21 VAL 47 2.613 -4.209 -12.150 353 HG22 VAL 47 HG22 VAL 47 4.044 -5.168 -11.771 354 HG23 VAL 47 HG23 VAL 47 3.155 -4.362 -10.478 355 H GLU 48 H GLU 48 4.960 -0.954 -9.202 356 HA GLU 48 HA GLU 48 4.277 -2.385 -6.775 357 HB2 GLU 48 HB2 GLU 48 5.660 -0.279 -6.804 358 HB3 GLU 48 HB3 GLU 48 4.204 0.594 -7.262 359 HG2 GLU 48 HG2 GLU 48 3.151 0.104 -5.201 360 HG3 GLU 48 HG3 GLU 48 4.394 -1.068 -4.768 361 H PHE 49 H PHE 49 2.303 -1.843 -5.565 362 HA PHE 49 HA PHE 49 0.062 -0.721 -6.954 363 HB2 PHE 49 HB2 PHE 49 -1.303 -2.819 -6.896 364 HB3 PHE 49 HB3 PHE 49 0.019 -2.860 -8.058 365 HD1 PHE 49 HD1 PHE 49 2.093 -4.133 -7.501 366 HD2 PHE 49 HD2 PHE 49 -1.440 -4.378 -5.141 367 HE1 PHE 49 HE1 PHE 49 2.917 -6.220 -6.491 368 HE2 PHE 49 HE2 PHE 49 -0.622 -6.465 -4.126 369 HZ PHE 49 HZ PHE 49 1.558 -7.389 -4.802 370 H GLU 50 H GLU 50 -1.365 0.062 -5.524 371 HA GLU 50 HA GLU 50 -0.970 -0.626 -2.705 372 HB2 GLU 50 HB2 GLU 50 -1.970 1.767 -4.161 373 HB3 GLU 50 HB3 GLU 50 -2.644 1.452 -2.568 374 HG2 GLU 50 HG2 GLU 50 -0.140 1.221 -1.872 375 HG3 GLU 50 HG3 GLU 50 0.145 2.153 -3.340 376 H VAL 51 H VAL 51 -2.164 -2.412 -2.285 377 HA VAL 51 HA VAL 51 -4.675 -3.012 -3.401 378 HB VAL 51 HB VAL 51 -4.880 -4.725 -1.709 379 HG11 VAL 51 HG11 VAL 51 -3.319 -5.973 -2.694 380 HG12 VAL 51 HG12 VAL 51 -2.781 -4.499 -3.502 381 HG13 VAL 51 HG13 VAL 51 -2.011 -5.015 -2.001 382 HG21 VAL 51 HG21 VAL 51 -3.079 -4.873 0.070 383 HG22 VAL 51 HG22 VAL 51 -2.699 -3.194 -0.314 384 HG23 VAL 51 HG23 VAL 51 -4.299 -3.619 0.294 385 H GLU 52 H GLU 52 -6.649 -2.272 -2.979 386 HA GLU 52 HA GLU 52 -7.057 -0.733 -0.499 387 HB2 GLU 52 HB2 GLU 52 -7.934 -0.278 -3.305 388 HB3 GLU 52 HB3 GLU 52 -9.051 0.178 -2.027 389 HG2 GLU 52 HG2 GLU 52 -6.245 1.181 -2.423 390 HG3 GLU 52 HG3 GLU 52 -7.743 2.083 -2.643 391 HA PRO 53 HA PRO 53 -10.326 -3.384 0.735 392 HB2 PRO 53 HB2 PRO 53 -12.167 -1.647 1.716 393 HB3 PRO 53 HB3 PRO 53 -10.645 -2.002 2.543 394 HG2 PRO 53 HG2 PRO 53 -11.357 0.327 0.802 395 HG3 PRO 53 HG3 PRO 53 -10.464 0.307 2.334 396 HD2 PRO 53 HD2 PRO 53 -9.230 0.483 -0.069 397 HD3 PRO 53 HD3 PRO 53 -8.496 -0.338 1.323 398 H GLY 54 H GLY 54 -12.585 -0.824 0.107 399 HA2 GLY 54 HA2 GLY 54 -14.077 -2.538 -1.681 400 HA3 GLY 54 HA3 GLY 54 -14.570 -0.956 -1.095 401 H ARG 55 H ARG 55 -12.019 -2.349 -3.166 402 HA ARG 55 HA ARG 55 -12.650 -0.278 -5.157 403 HB2 ARG 55 HB2 ARG 55 -9.945 -1.101 -4.121 404 HB3 ARG 55 HB3 ARG 55 -10.140 -0.327 -5.688 405 HG2 ARG 55 HG2 ARG 55 -10.965 0.834 -3.035 406 HG3 ARG 55 HG3 ARG 55 -9.536 1.283 -3.968 407 HD2 ARG 55 HD2 ARG 55 -10.778 2.814 -4.996 408 HD3 ARG 55 HD3 ARG 55 -11.679 1.498 -5.745 409 HE ARG 55 HE ARG 55 -12.713 1.972 -3.178 410 HH11 ARG 55 HH11 ARG 55 -12.539 3.465 -6.319 411 HH12 ARG 55 HH12 ARG 55 -14.025 4.335 -6.131 412 HH21 ARG 55 HH21 ARG 55 -14.671 3.113 -2.920 413 HH22 ARG 55 HH22 ARG 55 -15.237 4.135 -4.197 414 H GLY 56 H GLY 56 -11.197 -3.441 -4.517 415 HA2 GLY 56 HA2 GLY 56 -11.545 -4.124 -7.362 416 HA3 GLY 56 HA3 GLY 56 -10.470 -4.953 -6.247 417 H GLY 57 H GLY 57 -12.622 -5.985 -8.004 418 HA2 GLY 57 HA2 GLY 57 -14.955 -6.674 -6.727 419 HA3 GLY 57 HA3 GLY 57 -14.130 -7.717 -7.876 420 H LYS 58 H LYS 58 -11.906 -8.515 -6.615 421 HA LYS 58 HA LYS 58 -12.925 -10.378 -4.697 422 HB2 LYS 58 HB2 LYS 58 -10.208 -9.832 -5.859 423 HB3 LYS 58 HB3 LYS 58 -10.406 -10.960 -4.524 424 HG2 LYS 58 HG2 LYS 58 -10.716 -12.500 -6.101 425 HG3 LYS 58 HG3 LYS 58 -12.325 -11.798 -6.285 426 HD2 LYS 58 HD2 LYS 58 -11.507 -11.818 -8.462 427 HD3 LYS 58 HD3 LYS 58 -11.175 -10.168 -7.928 428 HE2 LYS 58 HE2 LYS 58 -9.253 -11.086 -9.093 429 HE3 LYS 58 HE3 LYS 58 -8.871 -10.819 -7.393 430 HZ1 LYS 58 HZ1 LYS 58 -8.132 -12.999 -8.417 431 HZ2 LYS 58 HZ2 LYS 58 -9.760 -13.456 -8.392 432 HZ3 LYS 58 HZ3 LYS 58 -8.961 -13.095 -6.945 433 H GLY 59 H GLY 59 -11.682 -7.230 -4.492 434 HA2 GLY 59 HA2 GLY 59 -12.085 -6.290 -2.187 435 HA3 GLY 59 HA3 GLY 59 -11.060 -7.604 -1.629 436 HA PRO 60 HA PRO 60 -7.480 -5.125 -2.078 437 HB2 PRO 60 HB2 PRO 60 -5.637 -6.893 -3.000 438 HB3 PRO 60 HB3 PRO 60 -6.250 -6.920 -1.342 439 HG2 PRO 60 HG2 PRO 60 -7.053 -8.599 -3.686 440 HG3 PRO 60 HG3 PRO 60 -6.775 -9.087 -2.004 441 HD2 PRO 60 HD2 PRO 60 -9.256 -8.697 -3.016 442 HD3 PRO 60 HD3 PRO 60 -8.855 -8.366 -1.319 443 H GLN 61 H GLN 61 -7.484 -3.579 -3.601 444 HA GLN 61 HA GLN 61 -7.063 -4.393 -6.401 445 HB2 GLN 61 HB2 GLN 61 -9.218 -3.383 -6.241 446 HB3 GLN 61 HB3 GLN 61 -8.598 -2.062 -5.259 447 HG2 GLN 61 HG2 GLN 61 -7.638 -0.993 -7.060 448 HG3 GLN 61 HG3 GLN 61 -7.555 -2.467 -8.023 449 HE21 GLN 61 HE21 GLN 61 -9.086 0.404 -7.721 450 HE22 GLN 61 HE22 GLN 61 -10.567 0.040 -8.533 451 H ALA 62 H ALA 62 -5.739 -3.013 -7.709 452 HA ALA 62 HA ALA 62 -3.495 -1.941 -6.232 453 HB1 ALA 62 HB1 ALA 62 -4.028 -2.465 -9.135 454 HB2 ALA 62 HB2 ALA 62 -2.621 -1.537 -8.613 455 HB3 ALA 62 HB3 ALA 62 -2.828 -3.204 -8.075 456 H LYS 63 H LYS 63 -5.262 -0.294 -5.421 457 HA LYS 63 HA LYS 63 -6.263 1.785 -6.869 458 HB2 LYS 63 HB2 LYS 63 -6.663 1.542 -4.480 459 HB3 LYS 63 HB3 LYS 63 -4.980 1.921 -4.134 460 HG2 LYS 63 HG2 LYS 63 -6.632 3.780 -3.762 461 HG3 LYS 63 HG3 LYS 63 -5.249 4.172 -4.786 462 HD2 LYS 63 HD2 LYS 63 -7.379 5.042 -5.684 463 HD3 LYS 63 HD3 LYS 63 -6.597 3.897 -6.776 464 HE2 LYS 63 HE2 LYS 63 -8.090 2.132 -6.021 465 HE3 LYS 63 HE3 LYS 63 -8.839 3.235 -4.868 466 HZ1 LYS 63 HZ1 LYS 63 -10.059 4.205 -6.463 467 HZ2 LYS 63 HZ2 LYS 63 -9.778 2.777 -7.324 468 HZ3 LYS 63 HZ3 LYS 63 -8.826 4.143 -7.619 469 H LYS 64 H LYS 64 -2.954 1.474 -5.644 470 HA LYS 64 HA LYS 64 -2.169 3.649 -7.468 471 HB2 LYS 64 HB2 LYS 64 -0.774 3.054 -4.863 472 HB3 LYS 64 HB3 LYS 64 -0.581 4.463 -5.897 473 HG2 LYS 64 HG2 LYS 64 -3.307 4.049 -4.905 474 HG3 LYS 64 HG3 LYS 64 -2.104 4.378 -3.655 475 HD2 LYS 64 HD2 LYS 64 -2.996 6.476 -4.342 476 HD3 LYS 64 HD3 LYS 64 -1.372 6.355 -5.024 477 HE2 LYS 64 HE2 LYS 64 -2.185 6.634 -7.070 478 HE3 LYS 64 HE3 LYS 64 -3.229 5.227 -6.869 479 HZ1 LYS 64 HZ1 LYS 64 -4.779 6.836 -7.212 480 HZ2 LYS 64 HZ2 LYS 64 -3.847 8.066 -6.520 481 HZ3 LYS 64 HZ3 LYS 64 -4.653 6.956 -5.529 482 H VAL 65 H VAL 65 -1.364 2.470 -9.131 483 HA VAL 65 HA VAL 65 0.607 0.376 -8.527 484 HB VAL 65 HB VAL 65 -1.444 0.626 -10.525 485 HG11 VAL 65 HG11 VAL 65 1.353 0.203 -11.570 486 HG12 VAL 65 HG12 VAL 65 -0.126 -0.125 -12.476 487 HG13 VAL 65 HG13 VAL 65 0.260 1.524 -11.983 488 HG21 VAL 65 HG21 VAL 65 -0.729 -1.317 -8.992 489 HG22 VAL 65 HG22 VAL 65 -1.250 -1.694 -10.634 490 HG23 VAL 65 HG23 VAL 65 0.469 -1.664 -10.238 491 H ARG 66 H ARG 66 2.666 0.422 -9.375 492 HA ARG 66 HA ARG 66 3.448 2.830 -10.869 493 HB2 ARG 66 HB2 ARG 66 5.117 1.650 -8.649 494 HB3 ARG 66 HB3 ARG 66 5.381 3.162 -9.507 495 HG2 ARG 66 HG2 ARG 66 2.945 3.644 -8.499 496 HG3 ARG 66 HG3 ARG 66 3.568 2.543 -7.269 497 HD2 ARG 66 HD2 ARG 66 5.699 4.146 -7.556 498 HD3 ARG 66 HD3 ARG 66 4.420 5.283 -7.981 499 HE ARG 66 HE ARG 66 3.937 3.819 -5.549 500 HH11 ARG 66 HH11 ARG 66 5.395 6.644 -6.969 501 HH12 ARG 66 HH12 ARG 66 5.360 7.561 -5.499 502 HH21 ARG 66 HH21 ARG 66 3.886 5.016 -3.607 503 HH22 ARG 66 HH22 ARG 66 4.503 6.633 -3.587 504 H ARG 67 H ARG 67 5.355 2.605 -12.153 505 HA ARG 67 HA ARG 67 5.712 -0.122 -13.114 506 HB2 ARG 67 HB2 ARG 67 6.527 2.571 -14.199 507 HB3 ARG 67 HB3 ARG 67 7.055 1.059 -14.926 508 HG2 ARG 67 HG2 ARG 67 4.530 0.501 -15.014 509 HG3 ARG 67 HG3 ARG 67 4.315 2.239 -14.802 510 HD2 ARG 67 HD2 ARG 67 4.296 1.703 -17.156 511 HD3 ARG 67 HD3 ARG 67 5.749 2.625 -16.772 512 HE ARG 67 HE ARG 67 6.316 -0.128 -16.620 513 HH11 ARG 67 HH11 ARG 67 5.612 2.361 -18.950 514 HH12 ARG 67 HH12 ARG 67 6.496 1.595 -20.229 515 HH21 ARG 67 HH21 ARG 67 7.483 -1.145 -18.295 516 HH22 ARG 67 HH22 ARG 67 7.560 -0.399 -19.855 517 H ILE 68 H ILE 68 7.515 -1.305 -12.859 518 HA ILE 68 HA ILE 68 9.955 -0.004 -11.892 519 HB ILE 68 HB ILE 68 8.712 -2.425 -10.582 520 HG12 ILE 68 HG12 ILE 68 8.027 0.151 -10.136 521 HG13 ILE 68 HG13 ILE 68 8.003 -1.089 -8.886 522 HG21 ILE 68 HG21 ILE 68 10.639 -2.174 -8.992 523 HG22 ILE 68 HG22 ILE 68 11.068 -2.729 -10.609 524 HG23 ILE 68 HG23 ILE 68 11.354 -1.051 -10.148 525 HD11 ILE 68 HD11 ILE 68 10.394 0.651 -9.396 526 HD12 ILE 68 HD12 ILE 68 9.101 1.093 -8.280 527 HD13 ILE 68 HD13 ILE 68 10.056 -0.361 -7.993 Start of MODEL 18 1 H1 MET 1 H MET 1 0.561 -0.374 0.621 2 HA MET 1 HA MET 1 1.546 0.039 -2.077 3 HB2 MET 1 HB2 MET 1 2.762 0.632 0.625 4 HB3 MET 1 HB3 MET 1 3.526 1.022 -0.910 5 HG2 MET 1 HG2 MET 1 2.554 3.017 -0.474 6 HG3 MET 1 HG3 MET 1 1.225 2.244 -1.334 7 HE1 MET 1 HE1 MET 1 -0.342 4.491 1.508 8 HE2 MET 1 HE2 MET 1 1.408 4.700 1.432 9 HE3 MET 1 HE3 MET 1 0.470 4.565 -0.056 10 H LYS 2 H LYS 2 1.808 -2.073 -2.843 11 HA LYS 2 HA LYS 2 4.054 -3.540 -1.624 12 HB2 LYS 2 HB2 LYS 2 1.371 -4.431 -2.176 13 HB3 LYS 2 HB3 LYS 2 2.519 -5.367 -3.123 14 HG2 LYS 2 HG2 LYS 2 1.980 -6.373 -0.930 15 HG3 LYS 2 HG3 LYS 2 3.699 -6.035 -1.149 16 HD2 LYS 2 HD2 LYS 2 3.737 -4.609 0.573 17 HD3 LYS 2 HD3 LYS 2 2.262 -3.801 0.037 18 HE2 LYS 2 HE2 LYS 2 1.054 -5.891 0.942 19 HE3 LYS 2 HE3 LYS 2 2.563 -6.212 1.795 20 HZ1 LYS 2 HZ1 LYS 2 1.621 -3.507 2.079 21 HZ2 LYS 2 HZ2 LYS 2 2.159 -4.594 3.258 22 HZ3 LYS 2 HZ3 LYS 2 0.557 -4.659 2.716 23 H LYS 3 H LYS 3 5.477 -4.608 -3.046 24 HA LYS 3 HA LYS 3 5.268 -3.765 -5.863 25 HB2 LYS 3 HB2 LYS 3 7.823 -4.051 -4.273 26 HB3 LYS 3 HB3 LYS 3 7.678 -3.494 -5.934 27 HG2 LYS 3 HG2 LYS 3 6.719 -1.460 -5.292 28 HG3 LYS 3 HG3 LYS 3 6.337 -2.052 -3.673 29 HD2 LYS 3 HD2 LYS 3 9.008 -2.364 -3.659 30 HD3 LYS 3 HD3 LYS 3 8.872 -0.995 -4.765 31 HE2 LYS 3 HE2 LYS 3 7.764 0.323 -3.139 32 HE3 LYS 3 HE3 LYS 3 7.503 -1.067 -2.087 33 HZ1 LYS 3 HZ1 LYS 3 9.762 -1.140 -1.521 34 HZ2 LYS 3 HZ2 LYS 3 9.354 0.500 -1.448 35 HZ3 LYS 3 HZ3 LYS 3 10.214 -0.099 -2.776 36 H GLY 4 H GLY 4 5.545 -5.304 -7.381 37 HA2 GLY 4 HA2 GLY 4 7.037 -7.694 -6.957 38 HA3 GLY 4 HA3 GLY 4 5.313 -7.999 -6.809 39 H THR 5 H THR 5 6.546 -9.356 -8.724 40 HA THR 5 HA THR 5 6.657 -7.993 -11.234 41 HB THR 5 HB THR 5 6.567 -10.460 -12.103 42 HG1 THR 5 HG1 THR 5 5.843 -11.332 -10.085 43 HG21 THR 5 HG21 THR 5 8.995 -10.285 -10.522 44 HG22 THR 5 HG22 THR 5 8.605 -8.753 -11.305 45 HG23 THR 5 HG23 THR 5 8.783 -10.217 -12.271 46 H VAL 6 H VAL 6 5.287 -8.450 -13.079 47 HA VAL 6 HA VAL 6 2.478 -8.643 -12.286 48 HB VAL 6 HB VAL 6 3.253 -6.715 -13.676 49 HG11 VAL 6 HG11 VAL 6 4.222 -6.936 -15.699 50 HG12 VAL 6 HG12 VAL 6 4.663 -8.533 -15.091 51 HG13 VAL 6 HG13 VAL 6 3.250 -8.343 -16.129 52 HG21 VAL 6 HG21 VAL 6 1.336 -6.710 -15.128 53 HG22 VAL 6 HG22 VAL 6 1.223 -8.469 -15.056 54 HG23 VAL 6 HG23 VAL 6 0.896 -7.505 -13.616 55 H LYS 7 H LYS 7 1.265 -10.367 -12.716 56 HA LYS 7 HA LYS 7 2.401 -12.693 -13.910 57 HB2 LYS 7 HB2 LYS 7 0.500 -12.395 -12.086 58 HB3 LYS 7 HB3 LYS 7 -0.544 -12.442 -13.500 59 HG2 LYS 7 HG2 LYS 7 0.410 -14.610 -14.124 60 HG3 LYS 7 HG3 LYS 7 1.431 -14.565 -12.685 61 HD2 LYS 7 HD2 LYS 7 -1.457 -14.157 -12.233 62 HD3 LYS 7 HD3 LYS 7 -0.981 -15.768 -12.777 63 HE2 LYS 7 HE2 LYS 7 0.829 -14.866 -10.751 64 HE3 LYS 7 HE3 LYS 7 -0.828 -14.691 -10.176 65 HZ1 LYS 7 HZ1 LYS 7 -1.240 -16.987 -10.605 66 HZ2 LYS 7 HZ2 LYS 7 0.178 -16.881 -9.689 67 HZ3 LYS 7 HZ3 LYS 7 0.266 -17.187 -11.351 68 H TRP 8 H TRP 8 -0.008 -10.314 -14.933 69 HA TRP 8 HA TRP 8 0.593 -10.646 -17.674 70 HB2 TRP 8 HB2 TRP 8 -1.397 -11.721 -18.486 71 HB3 TRP 8 HB3 TRP 8 -0.685 -12.763 -17.257 72 HD1 TRP 8 HD1 TRP 8 -3.465 -10.050 -17.427 73 HE1 TRP 8 HE1 TRP 8 -5.363 -10.770 -15.845 74 HE3 TRP 8 HE3 TRP 8 -1.368 -14.309 -15.531 75 HZ2 TRP 8 HZ2 TRP 8 -5.900 -12.866 -14.032 76 HZ3 TRP 8 HZ3 TRP 8 -2.639 -15.614 -13.877 77 HH2 TRP 8 HH2 TRP 8 -4.858 -14.905 -13.144 78 H PHE 9 H PHE 9 -0.418 -9.100 -18.976 79 HA PHE 9 HA PHE 9 -2.340 -7.313 -17.668 80 HB2 PHE 9 HB2 PHE 9 0.010 -6.421 -17.426 81 HB3 PHE 9 HB3 PHE 9 0.065 -6.285 -19.180 82 HD1 PHE 9 HD2 PHE 9 -1.386 -4.951 -16.102 83 HD2 PHE 9 HD1 PHE 9 -1.202 -4.592 -20.339 84 HE1 PHE 9 HE2 PHE 9 -2.435 -2.730 -15.956 85 HE2 PHE 9 HE1 PHE 9 -2.250 -2.370 -20.200 86 HZ PHE 9 HZ PHE 9 -2.867 -1.436 -18.007 87 H ASN 10 H ASN 10 -4.069 -7.572 -18.940 88 HA ASN 10 HA ASN 10 -3.752 -7.825 -21.823 89 HB2 ASN 10 HB2 ASN 10 -5.386 -9.172 -20.282 90 HB3 ASN 10 HB3 ASN 10 -6.410 -7.746 -20.437 91 HD21 ASN 10 HD21 ASN 10 -7.877 -7.946 -21.948 92 HD22 ASN 10 HD22 ASN 10 -7.703 -8.801 -23.439 93 H ALA 11 H ALA 11 -3.304 -5.884 -22.720 94 HA ALA 11 HA ALA 11 -4.413 -3.421 -21.850 95 HB1 ALA 11 HB1 ALA 11 -3.527 -2.612 -24.108 96 HB2 ALA 11 HB2 ALA 11 -2.358 -3.257 -22.955 97 HB3 ALA 11 HB3 ALA 11 -2.904 -4.250 -24.307 98 H GLU 12 H GLU 12 -5.499 -5.893 -24.011 99 HA GLU 12 HA GLU 12 -7.237 -4.411 -25.639 100 HB2 GLU 12 HB2 GLU 12 -7.155 -7.283 -24.771 101 HB3 GLU 12 HB3 GLU 12 -8.501 -6.682 -25.729 102 HG2 GLU 12 HG2 GLU 12 -7.138 -6.211 -27.567 103 HG3 GLU 12 HG3 GLU 12 -5.663 -6.299 -26.605 104 H LYS 13 H LYS 13 -7.655 -5.812 -22.438 105 HA LYS 13 HA LYS 13 -10.409 -4.812 -22.336 106 HB2 LYS 13 HB2 LYS 13 -8.858 -6.775 -20.665 107 HB3 LYS 13 HB3 LYS 13 -10.366 -6.079 -20.086 108 HG2 LYS 13 HG2 LYS 13 -10.036 -7.652 -22.632 109 HG3 LYS 13 HG3 LYS 13 -10.696 -8.271 -21.116 110 HD2 LYS 13 HD2 LYS 13 -12.286 -6.156 -21.407 111 HD3 LYS 13 HD3 LYS 13 -11.897 -6.425 -23.108 112 HE2 LYS 13 HE2 LYS 13 -12.799 -8.680 -21.351 113 HE3 LYS 13 HE3 LYS 13 -13.967 -7.595 -22.104 114 HZ1 LYS 13 HZ1 LYS 13 -13.566 -8.431 -24.144 115 HZ2 LYS 13 HZ2 LYS 13 -13.081 -9.796 -23.272 116 HZ3 LYS 13 HZ3 LYS 13 -11.923 -8.708 -23.850 117 H GLY 14 H GLY 14 -7.279 -4.525 -20.727 118 HA2 GLY 14 HA2 GLY 14 -6.523 -2.443 -19.838 119 HA3 GLY 14 HA3 GLY 14 -8.199 -1.983 -19.576 120 H TYR 15 H TYR 15 -6.688 -5.040 -18.665 121 HA TYR 15 HA TYR 15 -6.683 -4.246 -15.857 122 HB2 TYR 15 HB2 TYR 15 -8.085 -5.994 -15.110 123 HB3 TYR 15 HB3 TYR 15 -8.935 -5.279 -16.476 124 HD1 TYR 15 HD1 TYR 15 -8.162 -6.436 -18.827 125 HD2 TYR 15 HD2 TYR 15 -8.156 -8.288 -14.996 126 HE1 TYR 15 HE1 TYR 15 -8.301 -8.644 -19.901 127 HE2 TYR 15 HE2 TYR 15 -8.293 -10.502 -16.060 128 HH TYR 15 HH TYR 15 -7.593 -11.093 -19.170 129 H GLY 16 H GLY 16 -5.764 -6.075 -14.475 130 HA2 GLY 16 HA2 GLY 16 -4.190 -8.102 -15.689 131 HA3 GLY 16 HA3 GLY 16 -3.194 -6.700 -15.322 132 H PHE 17 H PHE 17 -2.323 -8.762 -14.069 133 HA PHE 17 HA PHE 17 -3.265 -8.425 -11.311 134 HB2 PHE 17 HB2 PHE 17 -2.831 -11.029 -12.763 135 HB3 PHE 17 HB3 PHE 17 -2.779 -10.925 -11.007 136 HD1 PHE 17 HD1 PHE 17 -4.965 -10.033 -13.887 137 HD2 PHE 17 HD2 PHE 17 -4.722 -11.221 -9.807 138 HE1 PHE 17 HE1 PHE 17 -7.414 -10.249 -13.808 139 HE2 PHE 17 HE2 PHE 17 -7.171 -11.439 -9.721 140 HZ PHE 17 HZ PHE 17 -8.521 -10.952 -11.723 141 H ILE 18 H ILE 18 -1.683 -8.392 -9.774 142 HA ILE 18 HA ILE 18 1.085 -8.723 -10.733 143 HB ILE 18 HB ILE 18 0.081 -6.778 -8.651 144 HG12 ILE 18 HG12 ILE 18 1.439 -5.970 -11.188 145 HG13 ILE 18 HG13 ILE 18 -0.261 -6.425 -11.251 146 HG21 ILE 18 HG21 ILE 18 2.425 -5.912 -8.751 147 HG22 ILE 18 HG22 ILE 18 2.265 -7.515 -8.035 148 HG23 ILE 18 HG23 ILE 18 2.851 -7.344 -9.689 149 HD11 ILE 18 HD11 ILE 18 -0.529 -4.220 -10.883 150 HD12 ILE 18 HD12 ILE 18 -0.349 -4.719 -9.200 151 HD13 ILE 18 HD13 ILE 18 1.029 -4.051 -10.075 152 H GLN 19 H GLN 19 2.478 -9.900 -9.514 153 HA GLN 19 HA GLN 19 1.347 -11.215 -7.141 154 HB2 GLN 19 HB2 GLN 19 3.741 -12.152 -8.712 155 HB3 GLN 19 HB3 GLN 19 2.766 -13.069 -7.572 156 HG2 GLN 19 HG2 GLN 19 2.085 -12.227 -10.364 157 HG3 GLN 19 HG3 GLN 19 2.141 -13.851 -9.681 158 HE21 GLN 19 HE21 GLN 19 0.170 -11.314 -10.546 159 HE22 GLN 19 HE22 GLN 19 -1.264 -11.787 -9.708 160 H GLN 20 H GLN 20 2.136 -10.710 -5.213 161 HA GLN 20 HA GLN 20 4.715 -9.305 -5.081 162 HB2 GLN 20 HB2 GLN 20 3.952 -8.341 -2.994 163 HB3 GLN 20 HB3 GLN 20 2.748 -8.061 -4.245 164 HG2 GLN 20 HG2 GLN 20 2.426 -10.473 -2.558 165 HG3 GLN 20 HG3 GLN 20 2.115 -8.905 -1.814 166 HE21 GLN 20 HE21 GLN 20 0.150 -8.109 -2.025 167 HE22 GLN 20 HE22 GLN 20 -1.018 -8.588 -3.203 168 H GLU 21 H GLU 21 5.405 -9.577 -2.493 169 HA GLU 21 HA GLU 21 6.454 -12.225 -2.412 170 HB2 GLU 21 HB2 GLU 21 6.489 -10.033 -0.330 171 HB3 GLU 21 HB3 GLU 21 7.418 -11.523 -0.235 172 HG2 GLU 21 HG2 GLU 21 7.696 -9.661 -2.563 173 HG3 GLU 21 HG3 GLU 21 8.591 -9.408 -1.066 174 H GLU 22 H GLU 22 3.643 -10.702 -1.117 175 HA GLU 22 HA GLU 22 3.080 -12.220 1.122 176 HB2 GLU 22 HB2 GLU 22 1.216 -11.089 -0.967 177 HB3 GLU 22 HB3 GLU 22 0.658 -11.811 0.536 178 HG2 GLU 22 HG2 GLU 22 2.236 -9.296 0.143 179 HG3 GLU 22 HG3 GLU 22 0.674 -9.509 0.931 180 H GLY 23 H GLY 23 1.413 -12.833 -1.963 181 HA2 GLY 23 HA2 GLY 23 2.169 -15.428 -2.444 182 HA3 GLY 23 HA3 GLY 23 0.892 -15.555 -1.244 183 HA PRO 24 HA PRO 24 -2.254 -15.125 -4.262 184 HB2 PRO 24 HB2 PRO 24 -3.928 -13.223 -3.288 185 HB3 PRO 24 HB3 PRO 24 -3.795 -14.838 -2.582 186 HG2 PRO 24 HG2 PRO 24 -2.538 -12.271 -1.690 187 HG3 PRO 24 HG3 PRO 24 -3.307 -13.539 -0.716 188 HD2 PRO 24 HD2 PRO 24 -0.619 -13.321 -0.965 189 HD3 PRO 24 HD3 PRO 24 -1.436 -14.884 -0.763 190 H ASP 25 H ASP 25 -3.295 -13.736 -5.868 191 HA ASP 25 HA ASP 25 -1.455 -11.738 -6.852 192 HB2 ASP 25 HB2 ASP 25 -2.988 -11.664 -8.813 193 HB3 ASP 25 HB3 ASP 25 -2.406 -13.286 -8.449 194 H VAL 26 H VAL 26 -2.895 -9.865 -8.085 195 HA VAL 26 HA VAL 26 -4.711 -8.682 -6.113 196 HB VAL 26 HB VAL 26 -2.155 -7.872 -6.080 197 HG11 VAL 26 HG11 VAL 26 -1.677 -6.067 -7.459 198 HG12 VAL 26 HG12 VAL 26 -2.513 -7.178 -8.546 199 HG13 VAL 26 HG13 VAL 26 -3.373 -5.798 -7.863 200 HG21 VAL 26 HG21 VAL 26 -3.721 -7.105 -4.479 201 HG22 VAL 26 HG22 VAL 26 -3.043 -5.662 -5.234 202 HG23 VAL 26 HG23 VAL 26 -4.647 -6.228 -5.698 203 H PHE 27 H PHE 27 -6.128 -7.098 -6.956 204 HA PHE 27 HA PHE 27 -6.672 -7.452 -9.786 205 HB2 PHE 27 HB2 PHE 27 -8.335 -7.317 -7.670 206 HB3 PHE 27 HB3 PHE 27 -8.353 -5.627 -8.163 207 HD1 PHE 27 HD1 PHE 27 -9.150 -9.064 -9.180 208 HD2 PHE 27 HD2 PHE 27 -9.419 -4.936 -10.184 209 HE1 PHE 27 HE1 PHE 27 -10.792 -9.600 -10.932 210 HE2 PHE 27 HE2 PHE 27 -11.062 -5.466 -11.937 211 HZ PHE 27 HZ PHE 27 -11.751 -7.800 -12.313 212 H VAL 28 H VAL 28 -5.764 -6.155 -11.226 213 HA VAL 28 HA VAL 28 -5.369 -3.320 -10.515 214 HB VAL 28 HB VAL 28 -3.260 -3.288 -11.300 215 HG11 VAL 28 HG11 VAL 28 -2.067 -5.453 -11.064 216 HG12 VAL 28 HG12 VAL 28 -3.144 -5.093 -9.713 217 HG13 VAL 28 HG13 VAL 28 -3.631 -6.259 -10.944 218 HG21 VAL 28 HG21 VAL 28 -3.792 -3.541 -13.601 219 HG22 VAL 28 HG22 VAL 28 -2.496 -4.685 -13.252 220 HG23 VAL 28 HG23 VAL 28 -4.159 -5.254 -13.396 221 H HIS 29 H HIS 29 -5.800 -1.784 -12.090 222 HA HIS 29 HA HIS 29 -6.776 -2.678 -14.690 223 HB2 HIS 29 HB2 HIS 29 -8.464 -1.571 -12.533 224 HB3 HIS 29 HB3 HIS 29 -8.703 -0.851 -14.122 225 HD1 HIS 29 HD1 HIS 29 -10.340 -2.026 -15.550 226 HD2 HIS 29 HD2 HIS 29 -8.688 -4.553 -12.696 227 HE1 HIS 29 HE1 HIS 29 -11.533 -4.222 -15.826 228 H PHE 30 H PHE 30 -7.077 -0.889 -16.211 229 HA PHE 30 HA PHE 30 -4.909 0.892 -16.183 230 HB2 PHE 30 HB2 PHE 30 -5.730 1.720 -18.235 231 HB3 PHE 30 HB3 PHE 30 -6.241 0.036 -18.194 232 HD1 PHE 30 HD2 PHE 30 -8.631 -0.404 -17.275 233 HD2 PHE 30 HD1 PHE 30 -7.272 3.367 -18.703 234 HE1 PHE 30 HE2 PHE 30 -10.962 0.293 -17.641 235 HE2 PHE 30 HE1 PHE 30 -9.600 4.072 -19.071 236 HZ PHE 30 HZ PHE 30 -11.449 2.534 -18.541 237 H THR 31 H THR 31 -7.967 1.083 -14.697 238 HA THR 31 HA THR 31 -8.033 3.978 -14.568 239 HB THR 31 HB THR 31 -10.149 2.756 -14.720 240 HG1 THR 31 HG1 THR 31 -11.177 3.895 -13.060 241 HG21 THR 31 HG21 THR 31 -10.504 0.891 -13.556 242 HG22 THR 31 HG22 THR 31 -10.415 1.805 -12.051 243 HG23 THR 31 HG23 THR 31 -8.954 1.103 -12.743 244 H ALA 32 H ALA 32 -6.101 1.862 -13.137 245 HA ALA 32 HA ALA 32 -6.027 3.377 -10.612 246 HB1 ALA 32 HB1 ALA 32 -5.953 1.526 -9.339 247 HB2 ALA 32 HB2 ALA 32 -6.720 0.762 -10.732 248 HB3 ALA 32 HB3 ALA 32 -4.975 0.636 -10.506 249 H ILE 33 H ILE 33 -4.267 1.752 -13.164 250 HA ILE 33 HA ILE 33 -1.675 1.839 -12.246 251 HB ILE 33 HB ILE 33 -2.699 2.342 -15.039 252 HG12 ILE 33 HG12 ILE 33 -1.269 -0.126 -14.143 253 HG13 ILE 33 HG13 ILE 33 -2.957 0.083 -13.690 254 HG21 ILE 33 HG21 ILE 33 -0.361 1.731 -15.731 255 HG22 ILE 33 HG22 ILE 33 -0.534 3.311 -14.970 256 HG23 ILE 33 HG23 ILE 33 0.116 1.956 -14.048 257 HD11 ILE 33 HD11 ILE 33 -1.794 -0.666 -16.231 258 HD12 ILE 33 HD12 ILE 33 -3.448 -0.843 -15.643 259 HD13 ILE 33 HD13 ILE 33 -2.931 0.673 -16.382 260 H GLU 34 H GLU 34 -0.279 3.390 -11.720 261 HA GLU 34 HA GLU 34 -0.970 6.166 -12.413 262 HB2 GLU 34 HB2 GLU 34 0.799 5.188 -10.166 263 HB3 GLU 34 HB3 GLU 34 0.296 6.848 -10.454 264 HG2 GLU 34 HG2 GLU 34 -2.005 5.151 -10.269 265 HG3 GLU 34 HG3 GLU 34 -0.964 4.919 -8.865 266 H ALA 35 H ALA 35 0.049 6.215 -14.425 267 HA ALA 35 HA ALA 35 2.991 6.195 -14.295 268 HB1 ALA 35 HB1 ALA 35 2.416 4.224 -15.491 269 HB2 ALA 35 HB2 ALA 35 1.239 5.090 -16.480 270 HB3 ALA 35 HB3 ALA 35 2.962 5.409 -16.679 271 H ASP 36 H ASP 36 3.848 7.310 -16.424 272 HA ASP 36 HA ASP 36 2.386 9.855 -16.665 273 HB2 ASP 36 HB2 ASP 36 5.254 9.179 -16.416 274 HB3 ASP 36 HB3 ASP 36 4.870 10.457 -17.566 275 H GLY 37 H GLY 37 1.082 8.811 -18.348 276 HA2 GLY 37 HA2 GLY 37 1.022 9.496 -20.769 277 HA3 GLY 37 HA3 GLY 37 2.536 8.616 -20.912 278 H PHE 38 H PHE 38 2.017 6.976 -22.242 279 HA PHE 38 HA PHE 38 -0.473 5.593 -22.127 280 HB2 PHE 38 HB2 PHE 38 2.124 4.986 -23.544 281 HB3 PHE 38 HB3 PHE 38 0.680 3.992 -23.708 282 HD1 PHE 38 HD1 PHE 38 2.040 7.383 -24.273 283 HD2 PHE 38 HD2 PHE 38 -1.049 4.597 -25.174 284 HE1 PHE 38 HE1 PHE 38 1.232 8.864 -26.064 285 HE2 PHE 38 HE2 PHE 38 -1.861 6.073 -26.967 286 HZ PHE 38 HZ PHE 38 -0.722 8.210 -27.413 287 H ARG 39 H ARG 39 -1.002 4.339 -20.464 288 HA ARG 39 HA ARG 39 0.951 3.047 -18.816 289 HB2 ARG 39 HB2 ARG 39 -2.048 2.671 -18.874 290 HB3 ARG 39 HB3 ARG 39 -0.963 2.163 -17.587 291 HG2 ARG 39 HG2 ARG 39 -0.628 4.317 -16.835 292 HG3 ARG 39 HG3 ARG 39 -1.079 5.037 -18.382 293 HD2 ARG 39 HD2 ARG 39 -3.115 3.489 -16.849 294 HD3 ARG 39 HD3 ARG 39 -2.710 5.123 -16.327 295 HE ARG 39 HE ARG 39 -4.227 4.376 -18.640 296 HH11 ARG 39 HH11 ARG 39 -2.153 6.813 -17.269 297 HH12 ARG 39 HH12 ARG 39 -2.782 8.089 -18.258 298 HH21 ARG 39 HH21 ARG 39 -5.062 6.047 -19.947 299 HH22 ARG 39 HH22 ARG 39 -4.437 7.653 -19.780 300 H THR 40 H THR 40 1.802 1.086 -19.038 301 HA THR 40 HA THR 40 0.390 -1.123 -20.162 302 HB THR 40 HB THR 40 0.947 -0.043 -22.270 303 HG1 THR 40 HG1 THR 40 1.070 -2.289 -22.310 304 HG21 THR 40 HG21 THR 40 2.977 1.156 -21.273 305 HG22 THR 40 HG22 THR 40 3.124 0.561 -22.927 306 HG23 THR 40 HG23 THR 40 3.864 -0.332 -21.598 307 H LEU 41 H LEU 41 1.177 -2.955 -19.324 308 HA LEU 41 HA LEU 41 3.865 -2.866 -18.120 309 HB2 LEU 41 HB2 LEU 41 1.315 -4.165 -17.249 310 HB3 LEU 41 HB3 LEU 41 2.866 -4.811 -16.718 311 HG LEU 41 HG LEU 41 3.386 -2.604 -15.711 312 HD11 LEU 41 HD11 LEU 41 2.145 -1.018 -16.843 313 HD12 LEU 41 HD12 LEU 41 1.254 -1.179 -15.330 314 HD13 LEU 41 HD13 LEU 41 0.668 -1.981 -16.786 315 HD21 LEU 41 HD21 LEU 41 2.458 -4.415 -14.361 316 HD22 LEU 41 HD22 LEU 41 0.824 -3.887 -14.764 317 HD23 LEU 41 HD23 LEU 41 1.877 -2.845 -13.806 318 H ASN 42 H ASN 42 4.944 -5.014 -17.949 319 HA ASN 42 HA ASN 42 4.259 -6.768 -20.211 320 HB2 ASN 42 HB2 ASN 42 7.111 -6.220 -19.426 321 HB3 ASN 42 HB3 ASN 42 6.493 -6.891 -20.932 322 HD21 ASN 42 HD21 ASN 42 8.130 -4.433 -20.029 323 HD22 ASN 42 HD22 ASN 42 7.433 -3.147 -20.949 324 H GLU 43 H GLU 43 4.091 -8.852 -19.698 325 HA GLU 43 HA GLU 43 4.148 -9.828 -17.121 326 HB2 GLU 43 HB2 GLU 43 3.044 -11.014 -18.934 327 HB3 GLU 43 HB3 GLU 43 4.592 -11.335 -19.703 328 HG2 GLU 43 HG2 GLU 43 5.224 -12.615 -17.627 329 HG3 GLU 43 HG3 GLU 43 3.538 -12.471 -17.132 330 H GLY 44 H GLY 44 5.695 -10.374 -15.727 331 HA2 GLY 44 HA2 GLY 44 7.735 -11.491 -15.165 332 HA3 GLY 44 HA3 GLY 44 8.349 -11.101 -16.765 333 H GLU 45 H GLU 45 7.093 -8.307 -16.203 334 HA GLU 45 HA GLU 45 9.547 -7.192 -15.139 335 HB2 GLU 45 HB2 GLU 45 8.311 -6.261 -17.145 336 HB3 GLU 45 HB3 GLU 45 7.082 -5.693 -16.024 337 HG2 GLU 45 HG2 GLU 45 8.294 -3.929 -15.436 338 HG3 GLU 45 HG3 GLU 45 9.747 -4.901 -15.211 339 H HIS 46 H HIS 46 9.555 -5.581 -13.440 340 HA HIS 46 HA HIS 46 7.772 -6.341 -11.268 341 HB2 HIS 46 HB2 HIS 46 9.889 -4.282 -10.891 342 HB3 HIS 46 HB3 HIS 46 9.386 -5.586 -9.819 343 HD1 HIS 46 HD1 HIS 46 10.521 -7.876 -10.124 344 HD2 HIS 46 HD2 HIS 46 11.863 -4.965 -12.767 345 HE1 HIS 46 HE1 HIS 46 12.595 -8.830 -11.178 346 H VAL 47 H VAL 47 6.335 -5.001 -10.265 347 HA VAL 47 HA VAL 47 6.200 -2.190 -10.931 348 HB VAL 47 HB VAL 47 3.900 -2.242 -11.753 349 HG11 VAL 47 HG11 VAL 47 4.346 -3.007 -13.972 350 HG12 VAL 47 HG12 VAL 47 5.849 -2.355 -13.317 351 HG13 VAL 47 HG13 VAL 47 5.606 -4.100 -13.401 352 HG21 VAL 47 HG21 VAL 47 2.751 -4.272 -12.277 353 HG22 VAL 47 HG22 VAL 47 4.164 -5.243 -11.863 354 HG23 VAL 47 HG23 VAL 47 3.289 -4.376 -10.601 355 H GLU 48 H GLU 48 5.099 -0.993 -9.420 356 HA GLU 48 HA GLU 48 4.432 -2.385 -6.962 357 HB2 GLU 48 HB2 GLU 48 5.817 -0.268 -7.053 358 HB3 GLU 48 HB3 GLU 48 4.342 0.587 -7.479 359 HG2 GLU 48 HG2 GLU 48 3.332 0.023 -5.385 360 HG3 GLU 48 HG3 GLU 48 4.682 -1.031 -4.967 361 H PHE 49 H PHE 49 2.464 -1.764 -5.747 362 HA PHE 49 HA PHE 49 0.226 -0.659 -7.123 363 HB2 PHE 49 HB2 PHE 49 -1.150 -2.664 -7.267 364 HB3 PHE 49 HB3 PHE 49 0.319 -2.874 -8.216 365 HD1 PHE 49 HD1 PHE 49 2.148 -4.305 -7.350 366 HD2 PHE 49 HD2 PHE 49 -1.644 -4.068 -5.431 367 HE1 PHE 49 HE1 PHE 49 2.637 -6.387 -6.134 368 HE2 PHE 49 HE2 PHE 49 -1.160 -6.150 -4.211 369 HZ PHE 49 HZ PHE 49 0.983 -7.312 -4.561 370 H GLU 50 H GLU 50 -1.123 0.169 -5.657 371 HA GLU 50 HA GLU 50 -0.759 -0.606 -2.861 372 HB2 GLU 50 HB2 GLU 50 -0.602 1.691 -2.940 373 HB3 GLU 50 HB3 GLU 50 -1.759 1.832 -4.256 374 HG2 GLU 50 HG2 GLU 50 -3.551 1.877 -2.870 375 HG3 GLU 50 HG3 GLU 50 -2.782 0.852 -1.659 376 H VAL 51 H VAL 51 -2.001 -2.333 -2.401 377 HA VAL 51 HA VAL 51 -4.514 -2.892 -3.549 378 HB VAL 51 HB VAL 51 -4.773 -4.575 -1.798 379 HG11 VAL 51 HG11 VAL 51 -1.962 -5.057 -2.231 380 HG12 VAL 51 HG12 VAL 51 -3.363 -5.893 -2.905 381 HG13 VAL 51 HG13 VAL 51 -2.734 -4.446 -3.694 382 HG21 VAL 51 HG21 VAL 51 -2.882 -4.803 -0.124 383 HG22 VAL 51 HG22 VAL 51 -2.435 -3.151 -0.550 384 HG23 VAL 51 HG23 VAL 51 -4.017 -3.482 0.155 385 H GLU 52 H GLU 52 -6.450 -2.050 -3.168 386 HA GLU 52 HA GLU 52 -6.842 -0.513 -0.687 387 HB2 GLU 52 HB2 GLU 52 -7.743 -0.098 -3.492 388 HB3 GLU 52 HB3 GLU 52 -8.834 0.401 -2.208 389 HG2 GLU 52 HG2 GLU 52 -5.999 1.331 -2.597 390 HG3 GLU 52 HG3 GLU 52 -7.462 2.254 -2.936 391 HA PRO 53 HA PRO 53 -10.121 -3.119 0.613 392 HB2 PRO 53 HB2 PRO 53 -11.925 -1.350 1.606 393 HB3 PRO 53 HB3 PRO 53 -10.397 -1.719 2.414 394 HG2 PRO 53 HG2 PRO 53 -11.102 0.606 0.666 395 HG3 PRO 53 HG3 PRO 53 -10.189 0.585 2.185 396 HD2 PRO 53 HD2 PRO 53 -8.985 0.726 -0.236 397 HD3 PRO 53 HD3 PRO 53 -8.243 -0.093 1.153 398 H GLY 54 H GLY 54 -12.363 -0.542 0.006 399 HA2 GLY 54 HA2 GLY 54 -13.894 -2.248 -1.756 400 HA3 GLY 54 HA3 GLY 54 -14.364 -0.660 -1.168 401 H ARG 55 H ARG 55 -11.862 -2.087 -3.274 402 HA ARG 55 HA ARG 55 -12.510 -0.025 -5.268 403 HB2 ARG 55 HB2 ARG 55 -10.161 -0.075 -3.787 404 HB3 ARG 55 HB3 ARG 55 -9.710 -0.826 -5.312 405 HG2 ARG 55 HG2 ARG 55 -9.363 1.273 -5.994 406 HG3 ARG 55 HG3 ARG 55 -11.118 1.330 -6.177 407 HD2 ARG 55 HD2 ARG 55 -10.973 1.971 -3.603 408 HD3 ARG 55 HD3 ARG 55 -9.376 2.531 -4.094 409 HE ARG 55 HE ARG 55 -10.363 4.229 -5.300 410 HH11 ARG 55 HH11 ARG 55 -12.781 1.962 -4.234 411 HH12 ARG 55 HH12 ARG 55 -14.114 2.979 -4.670 412 HH21 ARG 55 HH21 ARG 55 -12.110 5.577 -5.877 413 HH22 ARG 55 HH22 ARG 55 -13.731 5.035 -5.605 414 H GLY 56 H GLY 56 -11.035 -3.177 -4.618 415 HA2 GLY 56 HA2 GLY 56 -11.439 -3.888 -7.451 416 HA3 GLY 56 HA3 GLY 56 -10.308 -4.681 -6.366 417 H GLY 57 H GLY 57 -12.429 -5.840 -8.027 418 HA2 GLY 57 HA2 GLY 57 -14.735 -6.552 -6.713 419 HA3 GLY 57 HA3 GLY 57 -13.880 -7.613 -7.822 420 H LYS 58 H LYS 58 -11.714 -8.451 -6.644 421 HA LYS 58 HA LYS 58 -12.647 -10.199 -4.608 422 HB2 LYS 58 HB2 LYS 58 -9.800 -9.640 -5.460 423 HB3 LYS 58 HB3 LYS 58 -10.354 -11.033 -4.540 424 HG2 LYS 58 HG2 LYS 58 -11.127 -10.367 -7.374 425 HG3 LYS 58 HG3 LYS 58 -9.974 -11.606 -6.871 426 HD2 LYS 58 HD2 LYS 58 -12.903 -11.545 -6.142 427 HD3 LYS 58 HD3 LYS 58 -12.186 -12.547 -7.406 428 HE2 LYS 58 HE2 LYS 58 -10.704 -13.532 -5.622 429 HE3 LYS 58 HE3 LYS 58 -11.698 -12.686 -4.437 430 HZ1 LYS 58 HZ1 LYS 58 -13.245 -14.248 -4.577 431 HZ2 LYS 58 HZ2 LYS 58 -12.177 -15.167 -5.514 432 HZ3 LYS 58 HZ3 LYS 58 -13.305 -14.154 -6.265 433 H GLY 59 H GLY 59 -11.580 -7.012 -4.508 434 HA2 GLY 59 HA2 GLY 59 -11.922 -5.986 -2.260 435 HA3 GLY 59 HA3 GLY 59 -10.897 -7.274 -1.644 436 HA PRO 60 HA PRO 60 -7.337 -4.778 -2.158 437 HB2 PRO 60 HB2 PRO 60 -5.461 -6.592 -2.904 438 HB3 PRO 60 HB3 PRO 60 -6.115 -6.506 -1.264 439 HG2 PRO 60 HG2 PRO 60 -6.848 -8.355 -3.501 440 HG3 PRO 60 HG3 PRO 60 -6.610 -8.718 -1.782 441 HD2 PRO 60 HD2 PRO 60 -9.067 -8.422 -2.881 442 HD3 PRO 60 HD3 PRO 60 -8.710 -7.967 -1.202 443 H GLN 61 H GLN 61 -7.330 -3.346 -3.791 444 HA GLN 61 HA GLN 61 -6.865 -4.355 -6.519 445 HB2 GLN 61 HB2 GLN 61 -9.041 -3.069 -5.926 446 HB3 GLN 61 HB3 GLN 61 -8.010 -1.644 -5.923 447 HG2 GLN 61 HG2 GLN 61 -7.370 -2.087 -8.230 448 HG3 GLN 61 HG3 GLN 61 -8.377 -3.534 -8.237 449 HE21 GLN 61 HE21 GLN 61 -8.668 -0.095 -7.401 450 HE22 GLN 61 HE22 GLN 61 -10.198 0.137 -8.167 451 H ALA 62 H ALA 62 -5.636 -2.876 -7.942 452 HA ALA 62 HA ALA 62 -3.283 -1.918 -6.545 453 HB1 ALA 62 HB1 ALA 62 -2.672 -3.129 -8.415 454 HB2 ALA 62 HB2 ALA 62 -3.962 -2.448 -9.407 455 HB3 ALA 62 HB3 ALA 62 -2.554 -1.468 -8.997 456 H LYS 63 H LYS 63 -5.072 -0.260 -5.678 457 HA LYS 63 HA LYS 63 -6.015 1.879 -7.067 458 HB2 LYS 63 HB2 LYS 63 -6.562 1.839 -4.799 459 HB3 LYS 63 HB3 LYS 63 -4.887 1.654 -4.297 460 HG2 LYS 63 HG2 LYS 63 -5.752 3.865 -3.751 461 HG3 LYS 63 HG3 LYS 63 -4.426 3.958 -4.912 462 HD2 LYS 63 HD2 LYS 63 -6.149 5.473 -5.610 463 HD3 LYS 63 HD3 LYS 63 -6.120 4.112 -6.733 464 HE2 LYS 63 HE2 LYS 63 -8.402 4.568 -6.248 465 HE3 LYS 63 HE3 LYS 63 -7.976 3.090 -5.387 466 HZ1 LYS 63 HZ1 LYS 63 -7.540 5.458 -3.829 467 HZ2 LYS 63 HZ2 LYS 63 -8.380 4.044 -3.432 468 HZ3 LYS 63 HZ3 LYS 63 -9.157 5.275 -4.293 469 H LYS 64 H LYS 64 -2.727 1.538 -5.765 470 HA LYS 64 HA LYS 64 -1.888 3.711 -7.571 471 HB2 LYS 64 HB2 LYS 64 -1.738 3.737 -4.814 472 HB3 LYS 64 HB3 LYS 64 -0.125 3.219 -5.288 473 HG2 LYS 64 HG2 LYS 64 -0.044 5.565 -5.106 474 HG3 LYS 64 HG3 LYS 64 -0.066 5.207 -6.834 475 HD2 LYS 64 HD2 LYS 64 -1.568 7.029 -6.426 476 HD3 LYS 64 HD3 LYS 64 -2.529 5.600 -6.812 477 HE2 LYS 64 HE2 LYS 64 -2.986 5.237 -4.461 478 HE3 LYS 64 HE3 LYS 64 -1.945 6.590 -4.023 479 HZ1 LYS 64 HZ1 LYS 64 -4.647 6.679 -4.551 480 HZ2 LYS 64 HZ2 LYS 64 -3.916 7.403 -5.893 481 HZ3 LYS 64 HZ3 LYS 64 -3.609 7.998 -4.340 482 H VAL 65 H VAL 65 -1.182 2.466 -9.257 483 HA VAL 65 HA VAL 65 0.780 0.358 -8.696 484 HB VAL 65 HB VAL 65 -1.279 0.671 -10.673 485 HG11 VAL 65 HG11 VAL 65 1.499 0.224 -11.758 486 HG12 VAL 65 HG12 VAL 65 0.003 -0.047 -12.654 487 HG13 VAL 65 HG13 VAL 65 0.432 1.580 -12.124 488 HG21 VAL 65 HG21 VAL 65 -0.592 -1.309 -9.190 489 HG22 VAL 65 HG22 VAL 65 -1.101 -1.652 -10.843 490 HG23 VAL 65 HG23 VAL 65 0.614 -1.643 -10.433 491 H ARG 66 H ARG 66 2.837 0.383 -9.543 492 HA ARG 66 HA ARG 66 3.657 2.789 -11.018 493 HB2 ARG 66 HB2 ARG 66 5.358 1.584 -8.845 494 HB3 ARG 66 HB3 ARG 66 5.549 3.140 -9.642 495 HG2 ARG 66 HG2 ARG 66 3.407 3.859 -8.583 496 HG3 ARG 66 HG3 ARG 66 3.422 2.350 -7.668 497 HD2 ARG 66 HD2 ARG 66 5.561 2.961 -6.674 498 HD3 ARG 66 HD3 ARG 66 5.588 4.450 -7.618 499 HE ARG 66 HE ARG 66 4.110 3.953 -5.208 500 HH11 ARG 66 HH11 ARG 66 4.249 5.836 -8.134 501 HH12 ARG 66 HH12 ARG 66 3.323 7.150 -7.487 502 HH21 ARG 66 HH21 ARG 66 2.890 5.677 -4.345 503 HH22 ARG 66 HH22 ARG 66 2.552 7.059 -5.331 504 H ARG 67 H ARG 67 5.563 2.543 -12.301 505 HA ARG 67 HA ARG 67 5.889 -0.189 -13.265 506 HB2 ARG 67 HB2 ARG 67 6.728 2.494 -14.360 507 HB3 ARG 67 HB3 ARG 67 7.221 0.972 -15.091 508 HG2 ARG 67 HG2 ARG 67 4.733 0.428 -15.225 509 HG3 ARG 67 HG3 ARG 67 4.470 2.139 -14.880 510 HD2 ARG 67 HD2 ARG 67 6.012 0.979 -17.198 511 HD3 ARG 67 HD3 ARG 67 4.434 1.762 -17.270 512 HE ARG 67 HE ARG 67 6.112 3.623 -16.155 513 HH11 ARG 67 HH11 ARG 67 6.012 1.803 -19.121 514 HH12 ARG 67 HH12 ARG 67 6.819 3.023 -20.049 515 HH21 ARG 67 HH21 ARG 67 7.175 5.237 -17.367 516 HH22 ARG 67 HH22 ARG 67 7.481 4.975 -19.050 517 H ILE 68 H ILE 68 7.673 -1.389 -12.989 518 HA ILE 68 HA ILE 68 10.131 -0.100 -12.048 519 HB ILE 68 HB ILE 68 8.876 -2.507 -10.722 520 HG12 ILE 68 HG12 ILE 68 8.236 0.094 -10.288 521 HG13 ILE 68 HG13 ILE 68 8.158 -1.155 -9.050 522 HG21 ILE 68 HG21 ILE 68 11.527 -1.144 -10.297 523 HG22 ILE 68 HG22 ILE 68 10.809 -2.267 -9.142 524 HG23 ILE 68 HG23 ILE 68 11.235 -2.820 -10.761 525 HD11 ILE 68 HD11 ILE 68 10.200 -0.484 -8.104 526 HD12 ILE 68 HD12 ILE 68 10.609 0.513 -9.501 527 HD13 ILE 68 HD13 ILE 68 9.304 1.002 -8.421 Start of MODEL 19 1 H1 MET 1 H MET 1 1.266 -0.616 1.221 2 HA MET 1 HA MET 1 0.741 -0.196 -1.583 3 HB2 MET 1 HB2 MET 1 3.038 0.830 -1.942 4 HB3 MET 1 HB3 MET 1 1.814 1.884 -1.246 5 HG2 MET 1 HG2 MET 1 2.762 1.700 0.918 6 HG3 MET 1 HG3 MET 1 3.833 0.397 0.407 7 HE1 MET 1 HE1 MET 1 4.176 4.641 0.680 8 HE2 MET 1 HE2 MET 1 3.701 3.310 1.735 9 HE3 MET 1 HE3 MET 1 5.403 3.746 1.577 10 H LYS 2 H LYS 2 1.632 -1.769 -2.818 11 HA LYS 2 HA LYS 2 3.784 -3.409 -1.707 12 HB2 LYS 2 HB2 LYS 2 1.216 -4.583 -2.789 13 HB3 LYS 2 HB3 LYS 2 2.608 -5.485 -2.203 14 HG2 LYS 2 HG2 LYS 2 1.072 -3.587 -0.457 15 HG3 LYS 2 HG3 LYS 2 0.632 -5.287 -0.637 16 HD2 LYS 2 HD2 LYS 2 3.214 -5.608 -0.090 17 HD3 LYS 2 HD3 LYS 2 2.973 -4.055 0.713 18 HE2 LYS 2 HE2 LYS 2 1.005 -6.236 1.199 19 HE3 LYS 2 HE3 LYS 2 2.583 -6.336 1.979 20 HZ1 LYS 2 HZ1 LYS 2 1.674 -3.740 2.335 21 HZ2 LYS 2 HZ2 LYS 2 1.830 -4.948 3.509 22 HZ3 LYS 2 HZ3 LYS 2 0.363 -4.749 2.689 23 H LYS 3 H LYS 3 5.178 -4.196 -3.209 24 HA LYS 3 HA LYS 3 4.533 -3.648 -6.033 25 HB2 LYS 3 HB2 LYS 3 7.322 -3.713 -4.895 26 HB3 LYS 3 HB3 LYS 3 6.793 -3.062 -6.441 27 HG2 LYS 3 HG2 LYS 3 7.040 -1.121 -5.299 28 HG3 LYS 3 HG3 LYS 3 5.366 -1.480 -4.868 29 HD2 LYS 3 HD2 LYS 3 5.897 -2.037 -2.716 30 HD3 LYS 3 HD3 LYS 3 7.516 -2.595 -3.144 31 HE2 LYS 3 HE2 LYS 3 8.136 -0.205 -3.549 32 HE3 LYS 3 HE3 LYS 3 6.565 0.255 -2.896 33 HZ1 LYS 3 HZ1 LYS 3 8.790 -0.002 -1.432 34 HZ2 LYS 3 HZ2 LYS 3 8.106 -1.535 -1.225 35 HZ3 LYS 3 HZ3 LYS 3 7.224 -0.153 -0.808 36 H GLY 4 H GLY 4 5.138 -5.160 -7.584 37 HA2 GLY 4 HA2 GLY 4 6.683 -7.471 -7.021 38 HA3 GLY 4 HA3 GLY 4 4.971 -7.849 -6.906 39 H THR 5 H THR 5 6.367 -9.201 -8.738 40 HA THR 5 HA THR 5 6.447 -7.925 -11.294 41 HB THR 5 HB THR 5 6.531 -10.442 -12.054 42 HG1 THR 5 HG1 THR 5 5.886 -11.295 -10.023 43 HG21 THR 5 HG21 THR 5 8.837 -9.557 -10.359 44 HG22 THR 5 HG22 THR 5 8.400 -8.653 -11.809 45 HG23 THR 5 HG23 THR 5 8.848 -10.354 -11.932 46 H VAL 6 H VAL 6 5.165 -8.561 -13.156 47 HA VAL 6 HA VAL 6 2.361 -8.992 -12.411 48 HB VAL 6 HB VAL 6 2.959 -6.955 -13.731 49 HG11 VAL 6 HG11 VAL 6 4.010 -7.019 -15.716 50 HG12 VAL 6 HG12 VAL 6 4.556 -8.608 -15.176 51 HG13 VAL 6 HG13 VAL 6 3.154 -8.470 -16.238 52 HG21 VAL 6 HG21 VAL 6 0.741 -7.298 -14.001 53 HG22 VAL 6 HG22 VAL 6 1.224 -7.669 -15.657 54 HG23 VAL 6 HG23 VAL 6 0.951 -8.976 -14.505 55 H LYS 7 H LYS 7 1.289 -10.779 -12.976 56 HA LYS 7 HA LYS 7 2.711 -12.912 -14.299 57 HB2 LYS 7 HB2 LYS 7 0.659 -12.765 -12.411 58 HB3 LYS 7 HB3 LYS 7 -0.112 -13.417 -13.851 59 HG2 LYS 7 HG2 LYS 7 0.825 -15.404 -13.551 60 HG3 LYS 7 HG3 LYS 7 2.429 -14.694 -13.354 61 HD2 LYS 7 HD2 LYS 7 1.769 -15.929 -11.356 62 HD3 LYS 7 HD3 LYS 7 1.923 -14.205 -11.009 63 HE2 LYS 7 HE2 LYS 7 -0.063 -15.051 -9.943 64 HE3 LYS 7 HE3 LYS 7 -0.529 -13.980 -11.263 65 HZ1 LYS 7 HZ1 LYS 7 -1.900 -15.914 -11.325 66 HZ2 LYS 7 HZ2 LYS 7 -0.561 -16.947 -11.281 67 HZ3 LYS 7 HZ3 LYS 7 -0.846 -15.990 -12.647 68 H TRP 8 H TRP 8 0.123 -10.674 -15.055 69 HA TRP 8 HA TRP 8 0.455 -10.993 -17.842 70 HB2 TRP 8 HB2 TRP 8 -1.480 -12.170 -18.494 71 HB3 TRP 8 HB3 TRP 8 -0.808 -13.122 -17.173 72 HD1 TRP 8 HD1 TRP 8 -3.614 -10.520 -17.771 73 HE1 TRP 8 HE1 TRP 8 -5.505 -10.990 -16.090 74 HE3 TRP 8 HE3 TRP 8 -1.406 -14.277 -15.098 75 HZ2 TRP 8 HZ2 TRP 8 -5.995 -12.724 -13.917 76 HZ3 TRP 8 HZ3 TRP 8 -2.654 -15.288 -13.234 77 HH2 TRP 8 HH2 TRP 8 -4.900 -14.526 -12.657 78 H PHE 9 H PHE 9 -0.524 -9.356 -18.976 79 HA PHE 9 HA PHE 9 -2.492 -7.689 -17.594 80 HB2 PHE 9 HB2 PHE 9 -0.258 -6.721 -17.123 81 HB3 PHE 9 HB3 PHE 9 0.024 -6.578 -18.855 82 HD1 PHE 9 HD1 PHE 9 -1.309 -4.990 -20.195 83 HD2 PHE 9 HD2 PHE 9 -1.598 -5.155 -15.952 84 HE1 PHE 9 HE1 PHE 9 -2.375 -2.773 -20.185 85 HE2 PHE 9 HE2 PHE 9 -2.665 -2.938 -15.935 86 HZ PHE 9 HZ PHE 9 -3.054 -1.744 -18.053 87 H ASN 10 H ASN 10 -4.128 -8.093 -18.994 88 HA ASN 10 HA ASN 10 -3.727 -8.119 -21.843 89 HB2 ASN 10 HB2 ASN 10 -5.510 -9.382 -20.344 90 HB3 ASN 10 HB3 ASN 10 -6.451 -7.922 -20.634 91 HD21 ASN 10 HD21 ASN 10 -7.324 -10.351 -21.521 92 HD22 ASN 10 HD22 ASN 10 -7.249 -10.405 -23.246 93 H ALA 11 H ALA 11 -2.907 -6.036 -22.271 94 HA ALA 11 HA ALA 11 -4.058 -3.618 -21.496 95 HB1 ALA 11 HB1 ALA 11 -2.257 -2.863 -22.545 96 HB2 ALA 11 HB2 ALA 11 -1.977 -4.463 -23.233 97 HB3 ALA 11 HB3 ALA 11 -2.976 -3.295 -24.097 98 H GLU 12 H GLU 12 -5.039 -5.908 -23.900 99 HA GLU 12 HA GLU 12 -6.616 -4.180 -25.499 100 HB2 GLU 12 HB2 GLU 12 -6.281 -7.102 -25.181 101 HB3 GLU 12 HB3 GLU 12 -7.825 -6.576 -25.835 102 HG2 GLU 12 HG2 GLU 12 -6.553 -5.261 -27.542 103 HG3 GLU 12 HG3 GLU 12 -5.087 -6.043 -26.954 104 H LYS 13 H LYS 13 -7.232 -5.994 -22.562 105 HA LYS 13 HA LYS 13 -10.059 -5.288 -22.598 106 HB2 LYS 13 HB2 LYS 13 -8.571 -6.759 -20.424 107 HB3 LYS 13 HB3 LYS 13 -10.305 -6.743 -20.721 108 HG2 LYS 13 HG2 LYS 13 -8.276 -7.918 -22.608 109 HG3 LYS 13 HG3 LYS 13 -9.175 -8.843 -21.404 110 HD2 LYS 13 HD2 LYS 13 -10.609 -7.135 -23.405 111 HD3 LYS 13 HD3 LYS 13 -10.057 -8.755 -23.836 112 HE2 LYS 13 HE2 LYS 13 -11.767 -8.170 -21.427 113 HE3 LYS 13 HE3 LYS 13 -12.430 -8.592 -23.005 114 HZ1 LYS 13 HZ1 LYS 13 -10.909 -10.261 -21.125 115 HZ2 LYS 13 HZ2 LYS 13 -10.834 -10.607 -22.779 116 HZ3 LYS 13 HZ3 LYS 13 -12.324 -10.624 -21.979 117 H GLY 14 H GLY 14 -7.105 -4.539 -20.826 118 HA2 GLY 14 HA2 GLY 14 -6.736 -2.369 -19.900 119 HA3 GLY 14 HA3 GLY 14 -8.473 -2.193 -19.704 120 H TYR 15 H TYR 15 -6.887 -5.142 -18.776 121 HA TYR 15 HA TYR 15 -6.962 -4.336 -15.954 122 HB2 TYR 15 HB2 TYR 15 -7.898 -7.076 -16.716 123 HB3 TYR 15 HB3 TYR 15 -8.265 -6.132 -15.277 124 HD1 TYR 15 HD1 TYR 15 -9.468 -3.755 -15.989 125 HD2 TYR 15 HD2 TYR 15 -9.702 -7.448 -18.089 126 HE1 TYR 15 HE1 TYR 15 -11.595 -3.041 -16.996 127 HE2 TYR 15 HE2 TYR 15 -11.829 -6.744 -19.103 128 HH TYR 15 HH TYR 15 -12.960 -3.540 -18.964 129 H GLY 16 H GLY 16 -5.926 -6.136 -14.564 130 HA2 GLY 16 HA2 GLY 16 -4.029 -7.878 -15.770 131 HA3 GLY 16 HA3 GLY 16 -3.252 -6.392 -15.244 132 H PHE 17 H PHE 17 -2.413 -8.714 -14.153 133 HA PHE 17 HA PHE 17 -3.416 -8.497 -11.400 134 HB2 PHE 17 HB2 PHE 17 -3.068 -10.973 -13.050 135 HB3 PHE 17 HB3 PHE 17 -2.833 -11.051 -11.307 136 HD1 PHE 17 HD1 PHE 17 -5.295 -9.771 -13.798 137 HD2 PHE 17 HD2 PHE 17 -4.643 -11.550 -9.987 138 HE1 PHE 17 HE1 PHE 17 -7.726 -9.985 -13.486 139 HE2 PHE 17 HE2 PHE 17 -7.073 -11.768 -9.668 140 HZ PHE 17 HZ PHE 17 -8.618 -10.985 -11.419 141 H ILE 18 H ILE 18 -1.871 -8.299 -9.893 142 HA ILE 18 HA ILE 18 0.916 -8.786 -10.722 143 HB ILE 18 HB ILE 18 -0.069 -6.710 -8.762 144 HG12 ILE 18 HG12 ILE 18 1.292 -6.070 -11.348 145 HG13 ILE 18 HG13 ILE 18 -0.424 -6.460 -11.363 146 HG21 ILE 18 HG21 ILE 18 2.677 -7.447 -9.741 147 HG22 ILE 18 HG22 ILE 18 2.317 -5.900 -8.976 148 HG23 ILE 18 HG23 ILE 18 2.085 -7.401 -8.080 149 HD11 ILE 18 HD11 ILE 18 -0.570 -4.218 -11.122 150 HD12 ILE 18 HD12 ILE 18 -0.447 -4.655 -9.418 151 HD13 ILE 18 HD13 ILE 18 0.979 -4.092 -10.289 152 H GLN 19 H GLN 19 2.363 -9.605 -9.168 153 HA GLN 19 HA GLN 19 1.096 -10.754 -6.770 154 HB2 GLN 19 HB2 GLN 19 3.196 -12.080 -8.494 155 HB3 GLN 19 HB3 GLN 19 2.471 -12.755 -7.041 156 HG2 GLN 19 HG2 GLN 19 1.423 -13.790 -8.887 157 HG3 GLN 19 HG3 GLN 19 0.259 -12.655 -8.204 158 HE21 GLN 19 HE21 GLN 19 -0.907 -11.860 -9.797 159 HE22 GLN 19 HE22 GLN 19 -0.302 -11.267 -11.303 160 H GLN 20 H GLN 20 1.981 -10.000 -4.974 161 HA GLN 20 HA GLN 20 4.672 -8.860 -5.072 162 HB2 GLN 20 HB2 GLN 20 4.084 -7.920 -2.839 163 HB3 GLN 20 HB3 GLN 20 3.006 -7.405 -4.130 164 HG2 GLN 20 HG2 GLN 20 1.227 -8.556 -3.300 165 HG3 GLN 20 HG3 GLN 20 2.235 -9.791 -2.547 166 HE21 GLN 20 HE21 GLN 20 3.898 -8.407 -0.973 167 HE22 GLN 20 HE22 GLN 20 3.023 -7.533 0.234 168 H GLU 21 H GLU 21 5.484 -9.065 -2.479 169 HA GLU 21 HA GLU 21 6.556 -11.681 -2.393 170 HB2 GLU 21 HB2 GLU 21 6.485 -9.645 -0.161 171 HB3 GLU 21 HB3 GLU 21 7.587 -11.008 -0.305 172 HG2 GLU 21 HG2 GLU 21 7.477 -8.566 -2.056 173 HG3 GLU 21 HG3 GLU 21 8.746 -9.012 -0.916 174 H GLU 22 H GLU 22 3.684 -10.273 -1.102 175 HA GLU 22 HA GLU 22 3.136 -11.827 1.108 176 HB2 GLU 22 HB2 GLU 22 1.480 -10.440 -0.929 177 HB3 GLU 22 HB3 GLU 22 0.665 -11.629 0.079 178 HG2 GLU 22 HG2 GLU 22 2.358 -9.804 1.591 179 HG3 GLU 22 HG3 GLU 22 1.066 -8.996 0.705 180 H GLY 23 H GLY 23 1.684 -12.510 -2.078 181 HA2 GLY 23 HA2 GLY 23 2.525 -15.057 -2.533 182 HA3 GLY 23 HA3 GLY 23 1.243 -15.261 -1.349 183 HA PRO 24 HA PRO 24 -1.884 -14.990 -4.406 184 HB2 PRO 24 HB2 PRO 24 -3.681 -13.204 -3.430 185 HB3 PRO 24 HB3 PRO 24 -3.459 -14.817 -2.742 186 HG2 PRO 24 HG2 PRO 24 -2.370 -12.191 -1.803 187 HG3 PRO 24 HG3 PRO 24 -3.072 -13.515 -0.855 188 HD2 PRO 24 HD2 PRO 24 -0.400 -13.132 -1.067 189 HD3 PRO 24 HD3 PRO 24 -1.123 -14.745 -0.894 190 H ASP 25 H ASP 25 -3.015 -13.625 -5.987 191 HA ASP 25 HA ASP 25 -1.276 -11.525 -6.945 192 HB2 ASP 25 HB2 ASP 25 -2.964 -11.473 -8.856 193 HB3 ASP 25 HB3 ASP 25 -2.073 -12.977 -8.636 194 H VAL 26 H VAL 26 -2.787 -9.697 -8.138 195 HA VAL 26 HA VAL 26 -4.655 -8.634 -6.143 196 HB VAL 26 HB VAL 26 -2.154 -7.697 -6.103 197 HG11 VAL 26 HG11 VAL 26 -3.435 -5.681 -7.905 198 HG12 VAL 26 HG12 VAL 26 -1.731 -5.896 -7.499 199 HG13 VAL 26 HG13 VAL 26 -2.532 -7.036 -8.581 200 HG21 VAL 26 HG21 VAL 26 -3.726 -6.968 -4.511 201 HG22 VAL 26 HG22 VAL 26 -3.168 -5.500 -5.314 202 HG23 VAL 26 HG23 VAL 26 -4.732 -6.196 -5.737 203 H PHE 27 H PHE 27 -6.158 -7.114 -6.955 204 HA PHE 27 HA PHE 27 -6.725 -7.476 -9.777 205 HB2 PHE 27 HB2 PHE 27 -8.359 -7.412 -7.636 206 HB3 PHE 27 HB3 PHE 27 -8.454 -5.724 -8.125 207 HD1 PHE 27 HD1 PHE 27 -8.286 -8.929 -10.029 208 HD2 PHE 27 HD2 PHE 27 -10.420 -5.332 -9.235 209 HE1 PHE 27 HE1 PHE 27 -9.930 -9.527 -11.758 210 HE2 PHE 27 HE2 PHE 27 -12.069 -5.925 -10.962 211 HZ PHE 27 HZ PHE 27 -11.824 -8.024 -12.227 212 H VAL 28 H VAL 28 -5.905 -6.138 -11.232 213 HA VAL 28 HA VAL 28 -5.615 -3.291 -10.522 214 HB VAL 28 HB VAL 28 -3.513 -3.177 -11.308 215 HG11 VAL 28 HG11 VAL 28 -3.324 -5.019 -9.766 216 HG12 VAL 28 HG12 VAL 28 -3.760 -6.170 -11.030 217 HG13 VAL 28 HG13 VAL 28 -2.234 -5.290 -11.125 218 HG21 VAL 28 HG21 VAL 28 -4.060 -3.395 -13.609 219 HG22 VAL 28 HG22 VAL 28 -2.719 -4.499 -13.301 220 HG23 VAL 28 HG23 VAL 28 -4.362 -5.125 -13.442 221 H HIS 29 H HIS 29 -6.244 -1.787 -12.022 222 HA HIS 29 HA HIS 29 -7.297 -2.777 -14.580 223 HB2 HIS 29 HB2 HIS 29 -8.731 -1.210 -12.474 224 HB3 HIS 29 HB3 HIS 29 -9.127 -0.927 -14.166 225 HD1 HIS 29 HD1 HIS 29 -11.266 -2.103 -14.564 226 HD2 HIS 29 HD2 HIS 29 -8.632 -4.399 -12.316 227 HE1 HIS 29 HE1 HIS 29 -12.405 -4.324 -14.254 228 H PHE 30 H PHE 30 -7.521 -1.120 -16.227 229 HA PHE 30 HA PHE 30 -5.260 0.525 -16.427 230 HB2 PHE 30 HB2 PHE 30 -6.126 1.242 -18.507 231 HB3 PHE 30 HB3 PHE 30 -6.712 -0.406 -18.312 232 HD1 PHE 30 HD2 PHE 30 -9.080 -0.670 -17.303 233 HD2 PHE 30 HD1 PHE 30 -7.607 2.938 -19.014 234 HE1 PHE 30 HE2 PHE 30 -11.390 0.111 -17.635 235 HE2 PHE 30 HE1 PHE 30 -9.914 3.725 -19.348 236 HZ PHE 30 HZ PHE 30 -11.809 2.312 -18.658 237 H THR 31 H THR 31 -8.250 1.027 -14.866 238 HA THR 31 HA THR 31 -8.068 3.929 -14.937 239 HB THR 31 HB THR 31 -10.015 2.382 -13.248 240 HG1 THR 31 HG1 THR 31 -11.390 2.379 -15.112 241 HG21 THR 31 HG21 THR 31 -10.801 4.428 -12.852 242 HG22 THR 31 HG22 THR 31 -11.155 4.605 -14.571 243 HG23 THR 31 HG23 THR 31 -9.596 5.126 -13.933 244 H ALA 32 H ALA 32 -6.514 1.601 -13.267 245 HA ALA 32 HA ALA 32 -6.346 3.236 -10.818 246 HB1 ALA 32 HB1 ALA 32 -5.406 0.451 -10.676 247 HB2 ALA 32 HB2 ALA 32 -6.348 1.395 -9.521 248 HB3 ALA 32 HB3 ALA 32 -7.141 0.657 -10.913 249 H ILE 33 H ILE 33 -4.655 1.878 -13.479 250 HA ILE 33 HA ILE 33 -2.043 1.793 -12.432 251 HB ILE 33 HB ILE 33 -3.050 2.163 -15.248 252 HG12 ILE 33 HG12 ILE 33 -1.500 -0.198 -14.291 253 HG13 ILE 33 HG13 ILE 33 -3.171 -0.043 -13.762 254 HG21 ILE 33 HG21 ILE 33 -0.928 3.228 -15.231 255 HG22 ILE 33 HG22 ILE 33 -0.219 1.944 -14.254 256 HG23 ILE 33 HG23 ILE 33 -0.689 1.623 -15.923 257 HD11 ILE 33 HD11 ILE 33 -3.277 0.435 -16.484 258 HD12 ILE 33 HD12 ILE 33 -2.109 -0.876 -16.311 259 HD13 ILE 33 HD13 ILE 33 -3.735 -1.050 -15.651 260 H GLU 34 H GLU 34 -0.686 3.359 -11.871 261 HA GLU 34 HA GLU 34 -1.284 6.104 -12.752 262 HB2 GLU 34 HB2 GLU 34 0.311 5.253 -10.331 263 HB3 GLU 34 HB3 GLU 34 -0.195 6.886 -10.739 264 HG2 GLU 34 HG2 GLU 34 -2.465 5.126 -10.615 265 HG3 GLU 34 HG3 GLU 34 -1.528 5.048 -9.124 266 H ALA 35 H ALA 35 -0.111 6.023 -14.678 267 HA ALA 35 HA ALA 35 2.811 5.964 -14.317 268 HB1 ALA 35 HB1 ALA 35 2.367 5.268 -16.971 269 HB2 ALA 35 HB2 ALA 35 2.894 4.200 -15.669 270 HB3 ALA 35 HB3 ALA 35 1.179 4.336 -16.059 271 H ASP 36 H ASP 36 3.870 6.976 -16.390 272 HA ASP 36 HA ASP 36 2.557 9.572 -16.780 273 HB2 ASP 36 HB2 ASP 36 5.378 8.668 -16.627 274 HB3 ASP 36 HB3 ASP 36 5.035 9.976 -17.756 275 H GLY 37 H GLY 37 1.131 8.484 -18.374 276 HA2 GLY 37 HA2 GLY 37 0.932 9.056 -20.789 277 HA3 GLY 37 HA3 GLY 37 2.482 8.254 -20.994 278 H PHE 38 H PHE 38 -0.504 7.837 -21.843 279 HA PHE 38 HA PHE 38 -1.462 5.443 -20.852 280 HB2 PHE 38 HB2 PHE 38 -1.630 6.484 -23.688 281 HB3 PHE 38 HB3 PHE 38 -2.627 5.192 -23.028 282 HD1 PHE 38 HD2 PHE 38 -4.171 5.726 -21.106 283 HD2 PHE 38 HD1 PHE 38 -2.220 8.728 -23.407 284 HE1 PHE 38 HE2 PHE 38 -5.804 7.388 -20.316 285 HE2 PHE 38 HE1 PHE 38 -3.849 10.395 -22.620 286 HZ PHE 38 HZ PHE 38 -5.644 9.726 -21.072 287 H ARG 39 H ARG 39 -0.355 3.615 -20.620 288 HA ARG 39 HA ARG 39 0.917 2.435 -22.959 289 HB2 ARG 39 HB2 ARG 39 2.999 1.967 -21.846 290 HB3 ARG 39 HB3 ARG 39 2.696 3.697 -21.757 291 HG2 ARG 39 HG2 ARG 39 1.833 3.369 -19.451 292 HG3 ARG 39 HG3 ARG 39 2.319 1.676 -19.560 293 HD2 ARG 39 HD2 ARG 39 4.191 4.009 -19.927 294 HD3 ARG 39 HD3 ARG 39 3.969 3.146 -18.406 295 HE ARG 39 HE ARG 39 4.600 1.163 -20.107 296 HH11 ARG 39 HH11 ARG 39 6.066 4.253 -19.458 297 HH12 ARG 39 HH12 ARG 39 7.669 3.719 -19.841 298 HH21 ARG 39 HH21 ARG 39 6.706 0.448 -20.614 299 HH22 ARG 39 HH22 ARG 39 8.032 1.555 -20.500 300 H THR 40 H THR 40 2.060 0.237 -21.843 301 HA THR 40 HA THR 40 -0.047 -1.027 -20.231 302 HB THR 40 HB THR 40 -0.368 -1.593 -22.650 303 HG1 THR 40 HG1 THR 40 -0.179 -4.007 -22.121 304 HG21 THR 40 HG21 THR 40 2.103 -1.617 -23.162 305 HG22 THR 40 HG22 THR 40 1.188 -2.982 -23.800 306 HG23 THR 40 HG23 THR 40 2.177 -3.182 -22.354 307 H LEU 41 H LEU 41 0.764 -3.379 -19.657 308 HA LEU 41 HA LEU 41 3.508 -3.068 -18.640 309 HB2 LEU 41 HB2 LEU 41 1.464 -4.987 -17.570 310 HB3 LEU 41 HB3 LEU 41 2.929 -4.395 -16.789 311 HG LEU 41 HG LEU 41 0.374 -2.864 -17.259 312 HD11 LEU 41 HD11 LEU 41 -0.055 -3.079 -15.025 313 HD12 LEU 41 HD12 LEU 41 1.644 -3.288 -14.604 314 HD13 LEU 41 HD13 LEU 41 0.748 -4.619 -15.334 315 HD21 LEU 41 HD21 LEU 41 1.896 -1.171 -17.491 316 HD22 LEU 41 HD22 LEU 41 3.115 -1.980 -16.505 317 HD23 LEU 41 HD23 LEU 41 1.730 -1.203 -15.735 318 H ASN 42 H ASN 42 4.736 -5.116 -18.361 319 HA ASN 42 HA ASN 42 4.111 -7.044 -20.500 320 HB2 ASN 42 HB2 ASN 42 6.926 -6.343 -19.692 321 HB3 ASN 42 HB3 ASN 42 6.372 -7.145 -21.159 322 HD21 ASN 42 HD21 ASN 42 5.996 -5.957 -22.913 323 HD22 ASN 42 HD22 ASN 42 6.003 -4.230 -22.965 324 H GLU 43 H GLU 43 3.993 -9.101 -19.878 325 HA GLU 43 HA GLU 43 4.041 -9.937 -17.251 326 HB2 GLU 43 HB2 GLU 43 2.982 -11.256 -18.983 327 HB3 GLU 43 HB3 GLU 43 4.532 -11.549 -19.758 328 HG2 GLU 43 HG2 GLU 43 5.248 -12.739 -17.677 329 HG3 GLU 43 HG3 GLU 43 3.587 -12.596 -17.105 330 H GLY 44 H GLY 44 5.577 -10.430 -15.818 331 HA2 GLY 44 HA2 GLY 44 7.643 -11.464 -15.197 332 HA3 GLY 44 HA3 GLY 44 8.270 -11.093 -16.796 333 H GLU 45 H GLU 45 6.892 -8.332 -16.291 334 HA GLU 45 HA GLU 45 9.301 -7.102 -15.249 335 HB2 GLU 45 HB2 GLU 45 8.112 -6.214 -17.257 336 HB3 GLU 45 HB3 GLU 45 6.760 -5.784 -16.218 337 HG2 GLU 45 HG2 GLU 45 7.799 -3.977 -15.382 338 HG3 GLU 45 HG3 GLU 45 9.379 -4.759 -15.367 339 H HIS 46 H HIS 46 9.226 -5.438 -13.588 340 HA HIS 46 HA HIS 46 7.432 -6.220 -11.418 341 HB2 HIS 46 HB2 HIS 46 9.514 -4.184 -10.915 342 HB3 HIS 46 HB3 HIS 46 9.071 -5.603 -9.970 343 HD1 HIS 46 HD1 HIS 46 10.221 -7.856 -10.608 344 HD2 HIS 46 HD2 HIS 46 11.600 -4.549 -12.713 345 HE1 HIS 46 HE1 HIS 46 12.357 -8.601 -11.708 346 H VAL 47 H VAL 47 6.000 -4.855 -10.443 347 HA VAL 47 HA VAL 47 5.925 -2.043 -11.144 348 HB VAL 47 HB VAL 47 3.599 -2.086 -11.920 349 HG11 VAL 47 HG11 VAL 47 4.017 -2.849 -14.143 350 HG12 VAL 47 HG12 VAL 47 5.533 -2.205 -13.507 351 HG13 VAL 47 HG13 VAL 47 5.279 -3.949 -13.588 352 HG21 VAL 47 HG21 VAL 47 2.433 -4.105 -12.407 353 HG22 VAL 47 HG22 VAL 47 3.856 -5.085 -12.050 354 HG23 VAL 47 HG23 VAL 47 3.024 -4.231 -10.750 355 H GLU 48 H GLU 48 4.921 -0.802 -9.618 356 HA GLU 48 HA GLU 48 4.271 -2.113 -7.124 357 HB2 GLU 48 HB2 GLU 48 4.042 0.839 -7.656 358 HB3 GLU 48 HB3 GLU 48 4.359 0.023 -6.132 359 HG2 GLU 48 HG2 GLU 48 6.543 -0.749 -7.194 360 HG3 GLU 48 HG3 GLU 48 6.220 0.455 -8.440 361 H PHE 49 H PHE 49 2.315 -1.609 -5.913 362 HA PHE 49 HA PHE 49 0.032 -0.529 -7.262 363 HB2 PHE 49 HB2 PHE 49 -1.309 -2.577 -7.304 364 HB3 PHE 49 HB3 PHE 49 0.120 -2.747 -8.320 365 HD1 PHE 49 HD1 PHE 49 2.018 -4.130 -7.558 366 HD2 PHE 49 HD2 PHE 49 -1.652 -3.959 -5.409 367 HE1 PHE 49 HE1 PHE 49 2.633 -6.184 -6.351 368 HE2 PHE 49 HE2 PHE 49 -1.042 -6.011 -4.197 369 HZ PHE 49 HZ PHE 49 1.103 -7.127 -4.667 370 H GLU 50 H GLU 50 -1.344 0.271 -5.799 371 HA GLU 50 HA GLU 50 -0.901 -0.424 -2.990 372 HB2 GLU 50 HB2 GLU 50 -2.023 1.958 -4.407 373 HB3 GLU 50 HB3 GLU 50 -2.510 1.648 -2.746 374 HG2 GLU 50 HG2 GLU 50 -0.586 3.220 -3.030 375 HG3 GLU 50 HG3 GLU 50 -0.294 1.853 -1.956 376 H VAL 51 H VAL 51 -2.090 -2.197 -2.524 377 HA VAL 51 HA VAL 51 -4.632 -2.784 -3.599 378 HB VAL 51 HB VAL 51 -4.794 -4.521 -1.920 379 HG11 VAL 51 HG11 VAL 51 -2.779 -4.292 -3.799 380 HG12 VAL 51 HG12 VAL 51 -1.937 -4.818 -2.340 381 HG13 VAL 51 HG13 VAL 51 -3.279 -5.770 -2.977 382 HG21 VAL 51 HG21 VAL 51 -2.926 -4.711 -0.217 383 HG22 VAL 51 HG22 VAL 51 -2.541 -3.031 -0.594 384 HG23 VAL 51 HG23 VAL 51 -4.121 -3.446 0.072 385 H GLU 52 H GLU 52 -6.585 -2.031 -3.112 386 HA GLU 52 HA GLU 52 -6.910 -0.526 -0.600 387 HB2 GLU 52 HB2 GLU 52 -7.892 -0.057 -3.368 388 HB3 GLU 52 HB3 GLU 52 -8.963 0.387 -2.046 389 HG2 GLU 52 HG2 GLU 52 -6.174 1.401 -2.533 390 HG3 GLU 52 HG3 GLU 52 -7.681 2.300 -2.705 391 HA PRO 53 HA PRO 53 -10.110 -3.209 0.739 392 HB2 PRO 53 HB2 PRO 53 -11.902 -1.490 1.835 393 HB3 PRO 53 HB3 PRO 53 -10.344 -1.859 2.583 394 HG2 PRO 53 HG2 PRO 53 -11.134 0.500 0.919 395 HG3 PRO 53 HG3 PRO 53 -10.171 0.453 2.407 396 HD2 PRO 53 HD2 PRO 53 -9.049 0.670 -0.048 397 HD3 PRO 53 HD3 PRO 53 -8.252 -0.175 1.294 398 H GLY 54 H GLY 54 -12.390 -0.634 0.256 399 HA2 GLY 54 HA2 GLY 54 -13.974 -2.317 -1.478 400 HA3 GLY 54 HA3 GLY 54 -14.425 -0.736 -0.858 401 H ARG 55 H ARG 55 -11.949 -2.105 -3.034 402 HA ARG 55 HA ARG 55 -12.693 -0.054 -5.006 403 HB2 ARG 55 HB2 ARG 55 -10.296 -0.083 -3.573 404 HB3 ARG 55 HB3 ARG 55 -9.881 -0.751 -5.146 405 HG2 ARG 55 HG2 ARG 55 -9.556 1.670 -5.055 406 HG3 ARG 55 HG3 ARG 55 -10.772 1.212 -6.248 407 HD2 ARG 55 HD2 ARG 55 -11.338 3.201 -4.800 408 HD3 ARG 55 HD3 ARG 55 -12.544 1.916 -4.851 409 HE ARG 55 HE ARG 55 -12.125 1.456 -2.628 410 HH11 ARG 55 HH11 ARG 55 -9.784 3.723 -3.853 411 HH12 ARG 55 HH12 ARG 55 -9.159 4.123 -2.288 412 HH21 ARG 55 HH21 ARG 55 -11.310 1.975 -0.562 413 HH22 ARG 55 HH22 ARG 55 -10.027 3.128 -0.416 414 H GLY 56 H GLY 56 -11.130 -3.169 -4.392 415 HA2 GLY 56 HA2 GLY 56 -11.522 -3.873 -7.226 416 HA3 GLY 56 HA3 GLY 56 -10.403 -4.671 -6.130 417 H GLY 57 H GLY 57 -12.545 -5.781 -7.836 418 HA2 GLY 57 HA2 GLY 57 -14.842 -6.520 -6.519 419 HA3 GLY 57 HA3 GLY 57 -14.004 -7.552 -7.668 420 H LYS 58 H LYS 58 -11.811 -8.402 -6.517 421 HA LYS 58 HA LYS 58 -12.746 -10.198 -4.508 422 HB2 LYS 58 HB2 LYS 58 -9.921 -9.684 -5.459 423 HB3 LYS 58 HB3 LYS 58 -10.453 -11.067 -4.511 424 HG2 LYS 58 HG2 LYS 58 -11.371 -10.401 -7.301 425 HG3 LYS 58 HG3 LYS 58 -10.176 -11.627 -6.871 426 HD2 LYS 58 HD2 LYS 58 -13.064 -11.599 -5.992 427 HD3 LYS 58 HD3 LYS 58 -12.389 -12.610 -7.272 428 HE2 LYS 58 HE2 LYS 58 -10.777 -13.473 -5.480 429 HE3 LYS 58 HE3 LYS 58 -11.869 -12.725 -4.316 430 HZ1 LYS 58 HZ1 LYS 58 -13.180 -14.483 -4.460 431 HZ2 LYS 58 HZ2 LYS 58 -12.119 -15.212 -5.556 432 HZ3 LYS 58 HZ3 LYS 58 -13.384 -14.242 -6.122 433 H GLY 59 H GLY 59 -11.680 -7.033 -4.358 434 HA2 GLY 59 HA2 GLY 59 -11.919 -6.068 -2.074 435 HA3 GLY 59 HA3 GLY 59 -10.867 -7.370 -1.535 436 HA PRO 60 HA PRO 60 -7.337 -4.849 -2.130 437 HB2 PRO 60 HB2 PRO 60 -5.488 -6.641 -2.990 438 HB3 PRO 60 HB3 PRO 60 -6.077 -6.593 -1.324 439 HG2 PRO 60 HG2 PRO 60 -6.894 -8.394 -3.571 440 HG3 PRO 60 HG3 PRO 60 -6.587 -8.795 -1.872 441 HD2 PRO 60 HD2 PRO 60 -9.086 -8.482 -2.866 442 HD3 PRO 60 HD3 PRO 60 -8.665 -8.063 -1.193 443 H GLN 61 H GLN 61 -7.433 -3.383 -3.734 444 HA GLN 61 HA GLN 61 -7.027 -4.329 -6.495 445 HB2 GLN 61 HB2 GLN 61 -9.153 -2.887 -5.546 446 HB3 GLN 61 HB3 GLN 61 -8.101 -1.616 -6.155 447 HG2 GLN 61 HG2 GLN 61 -7.985 -2.878 -8.315 448 HG3 GLN 61 HG3 GLN 61 -9.238 -3.942 -7.679 449 HE21 GLN 61 HE21 GLN 61 -10.596 -3.300 -9.394 450 HE22 GLN 61 HE22 GLN 61 -11.414 -1.778 -9.364 451 H ALA 62 H ALA 62 -5.826 -2.878 -7.915 452 HA ALA 62 HA ALA 62 -3.501 -1.816 -6.561 453 HB1 ALA 62 HB1 ALA 62 -2.875 -3.000 -8.440 454 HB2 ALA 62 HB2 ALA 62 -4.212 -2.377 -9.408 455 HB3 ALA 62 HB3 ALA 62 -2.838 -1.338 -9.030 456 H LYS 63 H LYS 63 -5.290 -0.209 -5.644 457 HA LYS 63 HA LYS 63 -6.362 1.890 -6.992 458 HB2 LYS 63 HB2 LYS 63 -6.632 1.610 -4.591 459 HB3 LYS 63 HB3 LYS 63 -4.935 1.988 -4.328 460 HG2 LYS 63 HG2 LYS 63 -5.984 3.970 -3.791 461 HG3 LYS 63 HG3 LYS 63 -5.504 4.237 -5.469 462 HD2 LYS 63 HD2 LYS 63 -8.206 3.120 -4.814 463 HD3 LYS 63 HD3 LYS 63 -7.908 4.858 -4.731 464 HE2 LYS 63 HE2 LYS 63 -6.802 4.089 -7.155 465 HE3 LYS 63 HE3 LYS 63 -8.284 3.142 -7.040 466 HZ1 LYS 63 HZ1 LYS 63 -8.283 5.558 -8.021 467 HZ2 LYS 63 HZ2 LYS 63 -8.417 5.993 -6.392 468 HZ3 LYS 63 HZ3 LYS 63 -9.583 4.992 -7.098 469 H LYS 64 H LYS 64 -2.991 1.604 -5.933 470 HA LYS 64 HA LYS 64 -2.311 3.769 -7.810 471 HB2 LYS 64 HB2 LYS 64 -0.843 3.289 -5.221 472 HB3 LYS 64 HB3 LYS 64 -0.709 4.670 -6.301 473 HG2 LYS 64 HG2 LYS 64 -2.886 5.446 -5.686 474 HG3 LYS 64 HG3 LYS 64 -3.197 3.978 -4.757 475 HD2 LYS 64 HD2 LYS 64 -0.784 5.071 -3.784 476 HD3 LYS 64 HD3 LYS 64 -1.930 6.406 -3.926 477 HE2 LYS 64 HE2 LYS 64 -3.340 5.542 -2.353 478 HE3 LYS 64 HE3 LYS 64 -2.904 3.874 -2.721 479 HZ1 LYS 64 HZ1 LYS 64 -2.047 5.293 -0.576 480 HZ2 LYS 64 HZ2 LYS 64 -0.729 5.395 -1.630 481 HZ3 LYS 64 HZ3 LYS 64 -1.326 3.882 -1.168 482 H VAL 65 H VAL 65 -1.546 2.523 -9.453 483 HA VAL 65 HA VAL 65 0.487 0.499 -8.841 484 HB VAL 65 HB VAL 65 -1.588 0.693 -10.825 485 HG11 VAL 65 HG11 VAL 65 -0.275 -0.085 -12.769 486 HG12 VAL 65 HG12 VAL 65 0.095 1.579 -12.313 487 HG13 VAL 65 HG13 VAL 65 1.206 0.277 -11.883 488 HG21 VAL 65 HG21 VAL 65 -0.874 -1.215 -9.268 489 HG22 VAL 65 HG22 VAL 65 -1.351 -1.633 -10.914 490 HG23 VAL 65 HG23 VAL 65 0.357 -1.567 -10.482 491 H ARG 66 H ARG 66 2.541 0.575 -9.684 492 HA ARG 66 HA ARG 66 3.269 2.940 -11.266 493 HB2 ARG 66 HB2 ARG 66 4.999 1.926 -9.019 494 HB3 ARG 66 HB3 ARG 66 5.137 3.442 -9.900 495 HG2 ARG 66 HG2 ARG 66 2.766 3.897 -8.895 496 HG3 ARG 66 HG3 ARG 66 3.263 2.681 -7.716 497 HD2 ARG 66 HD2 ARG 66 5.312 4.006 -7.285 498 HD3 ARG 66 HD3 ARG 66 4.703 5.245 -8.381 499 HE ARG 66 HE ARG 66 2.787 4.694 -6.382 500 HH11 ARG 66 HH11 ARG 66 5.866 6.249 -6.850 501 HH12 ARG 66 HH12 ARG 66 5.636 7.384 -5.561 502 HH21 ARG 66 HH21 ARG 66 2.473 6.181 -4.682 503 HH22 ARG 66 HH22 ARG 66 3.706 7.343 -4.327 504 H ARG 67 H ARG 67 5.404 2.723 -12.321 505 HA ARG 67 HA ARG 67 5.735 -0.006 -13.302 506 HB2 ARG 67 HB2 ARG 67 6.863 0.931 -15.170 507 HB3 ARG 67 HB3 ARG 67 5.481 1.973 -14.855 508 HG2 ARG 67 HG2 ARG 67 7.080 3.447 -13.545 509 HG3 ARG 67 HG3 ARG 67 8.377 2.497 -14.274 510 HD2 ARG 67 HD2 ARG 67 7.916 3.266 -16.408 511 HD3 ARG 67 HD3 ARG 67 6.255 3.696 -16.003 512 HE ARG 67 HE ARG 67 7.676 5.396 -14.482 513 HH11 ARG 67 HH11 ARG 67 7.847 4.564 -17.858 514 HH12 ARG 67 HH12 ARG 67 8.419 6.124 -18.348 515 HH21 ARG 67 HH21 ARG 67 8.429 7.454 -15.115 516 HH22 ARG 67 HH22 ARG 67 8.751 7.767 -16.786 517 H ILE 68 H ILE 68 7.495 -1.235 -12.949 518 HA ILE 68 HA ILE 68 9.865 -0.007 -11.737 519 HB ILE 68 HB ILE 68 8.487 -2.464 -10.648 520 HG12 ILE 68 HG12 ILE 68 7.892 0.164 -10.138 521 HG13 ILE 68 HG13 ILE 68 7.580 -1.173 -9.036 522 HG21 ILE 68 HG21 ILE 68 10.272 -2.342 -8.901 523 HG22 ILE 68 HG22 ILE 68 10.846 -2.788 -10.507 524 HG23 ILE 68 HG23 ILE 68 11.093 -1.149 -9.907 525 HD11 ILE 68 HD11 ILE 68 10.121 0.429 -9.017 526 HD12 ILE 68 HD12 ILE 68 8.714 0.807 -8.023 527 HD13 ILE 68 HD13 ILE 68 9.559 -0.726 -7.809 Start of MODEL 20 1 H1 MET 1 H MET 1 1.047 -0.255 -2.964 2 HA MET 1 HA MET 1 3.054 0.822 -1.094 3 HB2 MET 1 HB2 MET 1 0.834 0.812 -0.100 4 HB3 MET 1 HB3 MET 1 0.629 -0.886 -0.511 5 HG2 MET 1 HG2 MET 1 2.456 -1.474 0.997 6 HG3 MET 1 HG3 MET 1 2.662 0.227 1.408 7 HE1 MET 1 HE1 MET 1 1.386 0.179 4.519 8 HE2 MET 1 HE2 MET 1 2.141 1.044 3.180 9 HE3 MET 1 HE3 MET 1 0.454 1.356 3.593 10 H LYS 2 H LYS 2 1.835 -2.017 -2.751 11 HA LYS 2 HA LYS 2 4.132 -3.569 -1.767 12 HB2 LYS 2 HB2 LYS 2 1.623 -4.572 -3.123 13 HB3 LYS 2 HB3 LYS 2 2.899 -5.563 -2.427 14 HG2 LYS 2 HG2 LYS 2 1.213 -3.643 -0.839 15 HG3 LYS 2 HG3 LYS 2 0.851 -5.360 -1.025 16 HD2 LYS 2 HD2 LYS 2 3.363 -5.598 -0.215 17 HD3 LYS 2 HD3 LYS 2 3.022 -4.024 0.507 18 HE2 LYS 2 HE2 LYS 2 1.043 -4.997 1.613 19 HE3 LYS 2 HE3 LYS 2 1.460 -6.570 0.937 20 HZ1 LYS 2 HZ1 LYS 2 2.279 -5.638 3.336 21 HZ2 LYS 2 HZ2 LYS 2 3.622 -5.313 2.360 22 HZ3 LYS 2 HZ3 LYS 2 3.023 -6.891 2.476 23 H LYS 3 H LYS 3 5.698 -4.200 -3.124 24 HA LYS 3 HA LYS 3 5.350 -3.579 -5.981 25 HB2 LYS 3 HB2 LYS 3 7.975 -3.913 -4.532 26 HB3 LYS 3 HB3 LYS 3 7.705 -3.218 -6.125 27 HG2 LYS 3 HG2 LYS 3 6.627 -1.299 -5.167 28 HG3 LYS 3 HG3 LYS 3 6.698 -2.016 -3.555 29 HD2 LYS 3 HD2 LYS 3 8.476 -0.466 -3.647 30 HD3 LYS 3 HD3 LYS 3 9.218 -2.057 -3.838 31 HE2 LYS 3 HE2 LYS 3 9.583 -1.737 -6.125 32 HE3 LYS 3 HE3 LYS 3 8.422 -0.415 -6.218 33 HZ1 LYS 3 HZ1 LYS 3 9.916 0.977 -4.968 34 HZ2 LYS 3 HZ2 LYS 3 10.732 0.351 -6.311 35 HZ3 LYS 3 HZ3 LYS 3 11.014 -0.296 -4.774 36 H GLY 4 H GLY 4 5.557 -5.150 -7.472 37 HA2 GLY 4 HA2 GLY 4 7.042 -7.553 -7.009 38 HA3 GLY 4 HA3 GLY 4 5.309 -7.823 -6.890 39 H THR 5 H THR 5 6.573 -9.216 -8.771 40 HA THR 5 HA THR 5 6.668 -7.844 -11.294 41 HB THR 5 HB THR 5 6.819 -10.252 -12.194 42 HG1 THR 5 HG1 THR 5 5.985 -10.963 -9.950 43 HG21 THR 5 HG21 THR 5 8.947 -9.479 -10.206 44 HG22 THR 5 HG22 THR 5 8.731 -8.653 -11.749 45 HG23 THR 5 HG23 THR 5 9.141 -10.368 -11.716 46 H VAL 6 H VAL 6 5.343 -8.407 -13.145 47 HA VAL 6 HA VAL 6 2.552 -8.833 -12.359 48 HB VAL 6 HB VAL 6 3.144 -6.790 -13.664 49 HG11 VAL 6 HG11 VAL 6 4.189 -6.838 -15.650 50 HG12 VAL 6 HG12 VAL 6 4.705 -8.451 -15.152 51 HG13 VAL 6 HG13 VAL 6 3.297 -8.257 -16.198 52 HG21 VAL 6 HG21 VAL 6 1.386 -7.478 -15.584 53 HG22 VAL 6 HG22 VAL 6 1.112 -8.786 -14.433 54 HG23 VAL 6 HG23 VAL 6 0.922 -7.108 -13.923 55 H LYS 7 H LYS 7 1.437 -10.590 -12.937 56 HA LYS 7 HA LYS 7 2.803 -12.750 -14.260 57 HB2 LYS 7 HB2 LYS 7 0.855 -12.642 -12.356 58 HB3 LYS 7 HB3 LYS 7 -0.096 -13.009 -13.789 59 HG2 LYS 7 HG2 LYS 7 0.641 -15.112 -13.876 60 HG3 LYS 7 HG3 LYS 7 2.310 -14.640 -13.547 61 HD2 LYS 7 HD2 LYS 7 1.638 -15.985 -11.722 62 HD3 LYS 7 HD3 LYS 7 1.604 -14.320 -11.137 63 HE2 LYS 7 HE2 LYS 7 -0.398 -15.157 -10.342 64 HE3 LYS 7 HE3 LYS 7 -0.890 -14.393 -11.853 65 HZ1 LYS 7 HZ1 LYS 7 -0.580 -17.265 -11.256 66 HZ2 LYS 7 HZ2 LYS 7 -0.525 -16.705 -12.851 67 HZ3 LYS 7 HZ3 LYS 7 -1.912 -16.456 -11.914 68 H TRP 8 H TRP 8 0.263 -10.459 -15.052 69 HA TRP 8 HA TRP 8 0.670 -10.701 -17.827 70 HB2 TRP 8 HB2 TRP 8 -1.250 -11.879 -18.570 71 HB3 TRP 8 HB3 TRP 8 -0.539 -12.880 -17.307 72 HD1 TRP 8 HD1 TRP 8 -3.421 -10.319 -17.718 73 HE1 TRP 8 HE1 TRP 8 -5.297 -10.968 -16.079 74 HE3 TRP 8 HE3 TRP 8 -1.117 -14.221 -15.352 75 HZ2 TRP 8 HZ2 TRP 8 -5.741 -12.881 -14.052 76 HZ3 TRP 8 HZ3 TRP 8 -2.336 -15.408 -13.574 77 HH2 TRP 8 HH2 TRP 8 -4.599 -14.750 -12.938 78 H PHE 9 H PHE 9 -0.373 -9.090 -18.969 79 HA PHE 9 HA PHE 9 -2.294 -7.433 -17.488 80 HB2 PHE 9 HB2 PHE 9 0.013 -6.456 -17.366 81 HB3 PHE 9 HB3 PHE 9 -0.010 -6.312 -19.121 82 HD1 PHE 9 HD2 PHE 9 -1.502 -5.097 -15.988 83 HD2 PHE 9 HD1 PHE 9 -1.232 -4.581 -20.204 84 HE1 PHE 9 HE2 PHE 9 -2.603 -2.906 -15.787 85 HE2 PHE 9 HE1 PHE 9 -2.332 -2.389 -20.010 86 HZ PHE 9 HZ PHE 9 -3.019 -1.548 -17.799 87 H ASN 10 H ASN 10 -4.087 -7.847 -18.656 88 HA ASN 10 HA ASN 10 -4.008 -8.040 -21.534 89 HB2 ASN 10 HB2 ASN 10 -5.588 -9.244 -19.774 90 HB3 ASN 10 HB3 ASN 10 -6.582 -7.815 -20.039 91 HD21 ASN 10 HD21 ASN 10 -7.752 -10.035 -20.712 92 HD22 ASN 10 HD22 ASN 10 -7.767 -10.288 -22.421 93 H ALA 11 H ALA 11 -3.298 -5.984 -22.182 94 HA ALA 11 HA ALA 11 -4.475 -3.554 -21.379 95 HB1 ALA 11 HB1 ALA 11 -3.206 -2.529 -23.056 96 HB2 ALA 11 HB2 ALA 11 -2.248 -3.930 -22.574 97 HB3 ALA 11 HB3 ALA 11 -3.196 -3.979 -24.060 98 H GLU 12 H GLU 12 -5.417 -5.952 -23.703 99 HA GLU 12 HA GLU 12 -7.093 -4.380 -25.329 100 HB2 GLU 12 HB2 GLU 12 -6.731 -7.270 -24.795 101 HB3 GLU 12 HB3 GLU 12 -8.289 -6.797 -25.458 102 HG2 GLU 12 HG2 GLU 12 -5.692 -5.958 -26.704 103 HG3 GLU 12 HG3 GLU 12 -6.493 -7.476 -27.107 104 H LYS 13 H LYS 13 -7.524 -5.774 -22.177 105 HA LYS 13 HA LYS 13 -10.374 -5.067 -22.197 106 HB2 LYS 13 HB2 LYS 13 -8.815 -6.673 -20.164 107 HB3 LYS 13 HB3 LYS 13 -10.555 -6.417 -20.166 108 HG2 LYS 13 HG2 LYS 13 -9.335 -7.627 -22.583 109 HG3 LYS 13 HG3 LYS 13 -9.455 -8.618 -21.128 110 HD2 LYS 13 HD2 LYS 13 -11.498 -9.092 -21.984 111 HD3 LYS 13 HD3 LYS 13 -11.931 -7.588 -21.168 112 HE2 LYS 13 HE2 LYS 13 -12.794 -7.189 -23.252 113 HE3 LYS 13 HE3 LYS 13 -11.176 -6.515 -23.445 114 HZ1 LYS 13 HZ1 LYS 13 -12.353 -8.477 -24.982 115 HZ2 LYS 13 HZ2 LYS 13 -11.191 -9.285 -24.056 116 HZ3 LYS 13 HZ3 LYS 13 -10.737 -7.979 -25.032 117 H GLY 14 H GLY 14 -7.316 -4.379 -20.619 118 HA2 GLY 14 HA2 GLY 14 -6.839 -2.217 -19.732 119 HA3 GLY 14 HA3 GLY 14 -8.556 -2.000 -19.421 120 H TYR 15 H TYR 15 -7.024 -4.992 -18.572 121 HA TYR 15 HA TYR 15 -6.959 -4.164 -15.748 122 HB2 TYR 15 HB2 TYR 15 -7.811 -6.929 -16.553 123 HB3 TYR 15 HB3 TYR 15 -8.090 -6.085 -15.034 124 HD1 TYR 15 HD1 TYR 15 -9.284 -3.582 -15.785 125 HD2 TYR 15 HD2 TYR 15 -9.851 -7.428 -17.514 126 HE1 TYR 15 HE1 TYR 15 -11.510 -2.894 -16.572 127 HE2 TYR 15 HE2 TYR 15 -12.078 -6.750 -18.307 128 HH TYR 15 HH TYR 15 -13.446 -3.601 -17.468 129 H GLY 16 H GLY 16 -5.834 -6.011 -14.420 130 HA2 GLY 16 HA2 GLY 16 -3.849 -7.573 -15.727 131 HA3 GLY 16 HA3 GLY 16 -3.155 -6.077 -15.122 132 H PHE 17 H PHE 17 -2.175 -8.399 -14.162 133 HA PHE 17 HA PHE 17 -3.166 -8.389 -11.397 134 HB2 PHE 17 HB2 PHE 17 -2.594 -10.790 -13.125 135 HB3 PHE 17 HB3 PHE 17 -2.567 -10.886 -11.367 136 HD1 PHE 17 HD1 PHE 17 -4.758 -9.750 -14.157 137 HD2 PHE 17 HD2 PHE 17 -4.508 -11.414 -10.248 138 HE1 PHE 17 HE1 PHE 17 -7.196 -10.077 -14.145 139 HE2 PHE 17 HE2 PHE 17 -6.946 -11.746 -10.229 140 HZ PHE 17 HZ PHE 17 -8.293 -11.078 -12.180 141 H ILE 18 H ILE 18 -1.618 -8.292 -9.867 142 HA ILE 18 HA ILE 18 1.181 -8.570 -10.748 143 HB ILE 18 HB ILE 18 0.123 -6.640 -8.680 144 HG12 ILE 18 HG12 ILE 18 1.438 -5.806 -11.233 145 HG13 ILE 18 HG13 ILE 18 -0.257 -6.280 -11.268 146 HG21 ILE 18 HG21 ILE 18 2.469 -5.718 -8.861 147 HG22 ILE 18 HG22 ILE 18 2.310 -7.274 -8.048 148 HG23 ILE 18 HG23 ILE 18 2.891 -7.204 -9.711 149 HD11 ILE 18 HD11 ILE 18 -0.516 -4.064 -10.910 150 HD12 ILE 18 HD12 ILE 18 -0.361 -4.581 -9.230 151 HD13 ILE 18 HD13 ILE 18 1.029 -3.902 -10.077 152 H GLN 19 H GLN 19 2.607 -9.603 -9.393 153 HA GLN 19 HA GLN 19 1.413 -10.911 -7.039 154 HB2 GLN 19 HB2 GLN 19 3.836 -12.138 -8.140 155 HB3 GLN 19 HB3 GLN 19 2.320 -12.882 -7.647 156 HG2 GLN 19 HG2 GLN 19 2.797 -11.461 -10.257 157 HG3 GLN 19 HG3 GLN 19 2.794 -13.208 -10.025 158 HE21 GLN 19 HE21 GLN 19 0.986 -10.646 -10.996 159 HE22 GLN 19 HE22 GLN 19 -0.596 -11.310 -10.788 160 H GLN 20 H GLN 20 2.163 -10.190 -5.170 161 HA GLN 20 HA GLN 20 4.798 -8.908 -5.088 162 HB2 GLN 20 HB2 GLN 20 4.049 -7.987 -2.918 163 HB3 GLN 20 HB3 GLN 20 2.981 -7.548 -4.244 164 HG2 GLN 20 HG2 GLN 20 1.291 -8.968 -3.520 165 HG3 GLN 20 HG3 GLN 20 2.388 -9.916 -2.517 166 HE21 GLN 20 HE21 GLN 20 -0.127 -8.045 -2.225 167 HE22 GLN 20 HE22 GLN 20 0.235 -7.184 -0.773 168 H GLU 21 H GLU 21 5.416 -9.132 -2.430 169 HA GLU 21 HA GLU 21 6.505 -11.766 -2.321 170 HB2 GLU 21 HB2 GLU 21 7.556 -11.064 -0.268 171 HB3 GLU 21 HB3 GLU 21 7.667 -9.756 -1.437 172 HG2 GLU 21 HG2 GLU 21 5.633 -8.757 -0.337 173 HG3 GLU 21 HG3 GLU 21 5.840 -9.958 0.937 174 H GLU 22 H GLU 22 3.653 -10.266 -1.090 175 HA GLU 22 HA GLU 22 3.042 -11.737 1.152 176 HB2 GLU 22 HB2 GLU 22 1.416 -10.450 -0.983 177 HB3 GLU 22 HB3 GLU 22 0.592 -11.550 0.114 178 HG2 GLU 22 HG2 GLU 22 2.324 -9.608 1.447 179 HG3 GLU 22 HG3 GLU 22 0.986 -8.894 0.548 180 H GLY 23 H GLY 23 1.567 -12.527 -1.993 181 HA2 GLY 23 HA2 GLY 23 2.404 -15.081 -2.395 182 HA3 GLY 23 HA3 GLY 23 1.160 -15.258 -1.167 183 HA PRO 24 HA PRO 24 -2.063 -15.085 -4.130 184 HB2 PRO 24 HB2 PRO 24 -3.829 -13.263 -3.166 185 HB3 PRO 24 HB3 PRO 24 -3.586 -14.850 -2.426 186 HG2 PRO 24 HG2 PRO 24 -2.469 -12.194 -1.618 187 HG3 PRO 24 HG3 PRO 24 -3.142 -13.481 -0.601 188 HD2 PRO 24 HD2 PRO 24 -0.478 -13.110 -0.908 189 HD3 PRO 24 HD3 PRO 24 -1.195 -14.714 -0.655 190 H ASP 25 H ASP 25 -3.082 -13.893 -5.833 191 HA ASP 25 HA ASP 25 -1.421 -11.824 -6.904 192 HB2 ASP 25 HB2 ASP 25 -2.966 -13.701 -8.054 193 HB3 ASP 25 HB3 ASP 25 -4.083 -12.340 -8.112 194 H VAL 26 H VAL 26 -2.860 -9.966 -8.069 195 HA VAL 26 HA VAL 26 -4.666 -8.790 -6.083 196 HB VAL 26 HB VAL 26 -2.084 -7.971 -6.141 197 HG11 VAL 26 HG11 VAL 26 -3.502 -5.911 -7.807 198 HG12 VAL 26 HG12 VAL 26 -1.784 -6.020 -7.417 199 HG13 VAL 26 HG13 VAL 26 -2.513 -7.183 -8.526 200 HG21 VAL 26 HG21 VAL 26 -3.524 -7.303 -4.404 201 HG22 VAL 26 HG22 VAL 26 -2.993 -5.804 -5.165 202 HG23 VAL 26 HG23 VAL 26 -4.598 -6.448 -5.511 203 H PHE 27 H PHE 27 -6.101 -7.218 -6.912 204 HA PHE 27 HA PHE 27 -6.608 -7.532 -9.764 205 HB2 PHE 27 HB2 PHE 27 -8.300 -7.545 -7.643 206 HB3 PHE 27 HB3 PHE 27 -8.431 -5.863 -8.145 207 HD1 PHE 27 HD1 PHE 27 -8.156 -9.114 -9.961 208 HD2 PHE 27 HD2 PHE 27 -10.321 -5.496 -9.380 209 HE1 PHE 27 HE1 PHE 27 -9.726 -9.773 -11.737 210 HE2 PHE 27 HE2 PHE 27 -11.896 -6.149 -11.154 211 HZ PHE 27 HZ PHE 27 -11.600 -8.291 -12.335 212 H VAL 28 H VAL 28 -5.778 -6.120 -11.141 213 HA VAL 28 HA VAL 28 -5.536 -3.304 -10.298 214 HB VAL 28 HB VAL 28 -3.425 -3.133 -11.048 215 HG11 VAL 28 HG11 VAL 28 -3.247 -5.043 -9.584 216 HG12 VAL 28 HG12 VAL 28 -3.638 -6.139 -10.911 217 HG13 VAL 28 HG13 VAL 28 -2.124 -5.233 -10.930 218 HG21 VAL 28 HG21 VAL 28 -3.923 -3.252 -13.363 219 HG22 VAL 28 HG22 VAL 28 -2.588 -4.369 -13.082 220 HG23 VAL 28 HG23 VAL 28 -4.228 -4.987 -13.280 221 H HIS 29 H HIS 29 -6.154 -1.737 -11.740 222 HA HIS 29 HA HIS 29 -7.204 -2.637 -14.336 223 HB2 HIS 29 HB2 HIS 29 -8.584 -1.061 -12.199 224 HB3 HIS 29 HB3 HIS 29 -8.975 -0.743 -13.886 225 HD1 HIS 29 HD1 HIS 29 -11.205 -1.804 -14.173 226 HD2 HIS 29 HD2 HIS 29 -8.526 -4.298 -12.207 227 HE1 HIS 29 HE1 HIS 29 -12.396 -4.004 -13.921 228 H PHE 30 H PHE 30 -7.369 -0.948 -15.952 229 HA PHE 30 HA PHE 30 -5.059 0.645 -16.098 230 HB2 PHE 30 HB2 PHE 30 -5.857 1.379 -18.192 231 HB3 PHE 30 HB3 PHE 30 -6.505 -0.248 -18.015 232 HD1 PHE 30 HD2 PHE 30 -8.901 -0.414 -17.022 233 HD2 PHE 30 HD1 PHE 30 -7.267 3.111 -18.762 234 HE1 PHE 30 HE2 PHE 30 -11.174 0.449 -17.401 235 HE2 PHE 30 HE1 PHE 30 -9.537 3.980 -19.142 236 HZ PHE 30 HZ PHE 30 -11.494 2.649 -18.461 237 H THR 31 H THR 31 -8.062 1.187 -14.582 238 HA THR 31 HA THR 31 -7.862 4.084 -14.648 239 HB THR 31 HB THR 31 -9.856 3.832 -12.987 240 HG1 THR 31 HG1 THR 31 -10.946 1.757 -13.496 241 HG21 THR 31 HG21 THR 31 -9.676 4.141 -15.702 242 HG22 THR 31 HG22 THR 31 -11.166 4.258 -14.764 243 HG23 THR 31 HG23 THR 31 -10.740 2.743 -15.559 244 H ALA 32 H ALA 32 -6.339 1.728 -12.956 245 HA ALA 32 HA ALA 32 -6.148 3.370 -10.516 246 HB1 ALA 32 HB1 ALA 32 -6.855 0.736 -10.681 247 HB2 ALA 32 HB2 ALA 32 -5.129 0.637 -10.329 248 HB3 ALA 32 HB3 ALA 32 -6.200 1.527 -9.247 249 H ILE 33 H ILE 33 -4.428 1.916 -13.144 250 HA ILE 33 HA ILE 33 -1.824 1.886 -12.148 251 HB ILE 33 HB ILE 33 -2.902 2.270 -14.928 252 HG12 ILE 33 HG12 ILE 33 -1.119 0.028 -14.166 253 HG13 ILE 33 HG13 ILE 33 -2.711 0.042 -13.416 254 HG21 ILE 33 HG21 ILE 33 -0.504 1.888 -15.666 255 HG22 ILE 33 HG22 ILE 33 -0.891 3.488 -15.034 256 HG23 ILE 33 HG23 ILE 33 -0.038 2.323 -14.021 257 HD11 ILE 33 HD11 ILE 33 -1.973 -0.807 -16.019 258 HD12 ILE 33 HD12 ILE 33 -3.557 -0.856 -15.244 259 HD13 ILE 33 HD13 ILE 33 -3.069 0.566 -16.166 260 H GLU 34 H GLU 34 -0.477 3.440 -11.535 261 HA GLU 34 HA GLU 34 -1.093 6.210 -12.314 262 HB2 GLU 34 HB2 GLU 34 0.618 5.341 -9.987 263 HB3 GLU 34 HB3 GLU 34 -0.045 6.939 -10.295 264 HG2 GLU 34 HG2 GLU 34 -2.231 5.177 -10.200 265 HG3 GLU 34 HG3 GLU 34 -1.182 4.756 -8.847 266 H ALA 35 H ALA 35 0.038 6.294 -14.242 267 HA ALA 35 HA ALA 35 2.966 6.222 -13.960 268 HB1 ALA 35 HB1 ALA 35 3.282 4.854 -15.717 269 HB2 ALA 35 HB2 ALA 35 1.635 4.331 -15.361 270 HB3 ALA 35 HB3 ALA 35 1.926 5.530 -16.621 271 H ASP 36 H ASP 36 3.968 7.313 -16.017 272 HA ASP 36 HA ASP 36 2.592 9.889 -16.324 273 HB2 ASP 36 HB2 ASP 36 5.442 9.058 -16.215 274 HB3 ASP 36 HB3 ASP 36 5.047 10.408 -17.276 275 H GLY 37 H GLY 37 1.196 8.817 -17.951 276 HA2 GLY 37 HA2 GLY 37 0.993 9.451 -20.352 277 HA3 GLY 37 HA3 GLY 37 2.557 8.680 -20.572 278 H PHE 38 H PHE 38 -0.179 8.167 -21.717 279 HA PHE 38 HA PHE 38 -1.306 5.828 -20.745 280 HB2 PHE 38 HB2 PHE 38 -2.344 7.193 -22.501 281 HB3 PHE 38 HB3 PHE 38 -1.077 6.717 -23.628 282 HD1 PHE 38 HD1 PHE 38 -3.717 5.252 -21.450 283 HD2 PHE 38 HD2 PHE 38 -1.417 4.907 -25.015 284 HE1 PHE 38 HE1 PHE 38 -5.056 3.299 -22.120 285 HE2 PHE 38 HE2 PHE 38 -2.753 2.954 -25.691 286 HZ PHE 38 HZ PHE 38 -4.574 2.147 -24.243 287 H ARG 39 H ARG 39 -0.280 3.993 -20.304 288 HA ARG 39 HA ARG 39 1.173 2.624 -22.389 289 HB2 ARG 39 HB2 ARG 39 2.730 4.214 -20.906 290 HB3 ARG 39 HB3 ARG 39 2.693 2.814 -19.842 291 HG2 ARG 39 HG2 ARG 39 4.621 2.663 -21.246 292 HG3 ARG 39 HG3 ARG 39 3.471 1.417 -21.736 293 HD2 ARG 39 HD2 ARG 39 2.787 2.691 -23.633 294 HD3 ARG 39 HD3 ARG 39 3.682 4.104 -23.078 295 HE ARG 39 HE ARG 39 5.457 1.948 -23.421 296 HH11 ARG 39 HH11 ARG 39 3.507 4.159 -25.273 297 HH12 ARG 39 HH12 ARG 39 4.539 4.110 -26.664 298 HH21 ARG 39 HH21 ARG 39 6.824 1.874 -25.246 299 HH22 ARG 39 HH22 ARG 39 6.425 2.809 -26.647 300 H THR 40 H THR 40 1.806 0.409 -21.704 301 HA THR 40 HA THR 40 -0.045 -0.604 -19.644 302 HB THR 40 HB THR 40 -0.218 -2.682 -20.901 303 HG1 THR 40 HG1 THR 40 1.228 -1.493 -23.026 304 HG21 THR 40 HG21 THR 40 -1.316 -1.780 -22.984 305 HG22 THR 40 HG22 THR 40 -0.749 -0.182 -22.500 306 HG23 THR 40 HG23 THR 40 -1.874 -1.067 -21.471 307 H LEU 41 H LEU 41 0.756 -3.102 -19.257 308 HA LEU 41 HA LEU 41 3.522 -2.809 -18.295 309 HB2 LEU 41 HB2 LEU 41 1.433 -4.727 -17.284 310 HB3 LEU 41 HB3 LEU 41 2.993 -4.358 -16.552 311 HG LEU 41 HG LEU 41 0.676 -2.436 -16.772 312 HD11 LEU 41 HD11 LEU 41 -0.050 -3.090 -14.756 313 HD12 LEU 41 HD12 LEU 41 1.582 -3.331 -14.134 314 HD13 LEU 41 HD13 LEU 41 0.818 -4.584 -15.111 315 HD21 LEU 41 HD21 LEU 41 2.341 -0.947 -16.528 316 HD22 LEU 41 HD22 LEU 41 3.492 -2.167 -15.979 317 HD23 LEU 41 HD23 LEU 41 2.327 -1.480 -14.846 318 H ASN 42 H ASN 42 4.780 -4.854 -18.158 319 HA ASN 42 HA ASN 42 4.116 -6.679 -20.373 320 HB2 ASN 42 HB2 ASN 42 6.943 -5.957 -19.626 321 HB3 ASN 42 HB3 ASN 42 6.360 -6.714 -21.106 322 HD21 ASN 42 HD21 ASN 42 4.604 -5.267 -22.208 323 HD22 ASN 42 HD22 ASN 42 5.074 -3.618 -22.422 324 H GLU 43 H GLU 43 4.060 -8.768 -19.855 325 HA GLU 43 HA GLU 43 4.208 -9.733 -17.276 326 HB2 GLU 43 HB2 GLU 43 3.124 -10.972 -19.066 327 HB3 GLU 43 HB3 GLU 43 4.670 -11.225 -19.863 328 HG2 GLU 43 HG2 GLU 43 5.397 -12.465 -17.791 329 HG3 GLU 43 HG3 GLU 43 3.713 -12.403 -17.274 330 H GLY 44 H GLY 44 5.808 -10.195 -15.912 331 HA2 GLY 44 HA2 GLY 44 7.909 -11.228 -15.399 332 HA3 GLY 44 HA3 GLY 44 8.474 -10.792 -17.005 333 H GLU 45 H GLU 45 7.027 -8.085 -16.290 334 HA GLU 45 HA GLU 45 9.463 -6.846 -15.302 335 HB2 GLU 45 HB2 GLU 45 8.189 -5.921 -17.251 336 HB3 GLU 45 HB3 GLU 45 6.881 -5.523 -16.146 337 HG2 GLU 45 HG2 GLU 45 7.957 -3.742 -15.294 338 HG3 GLU 45 HG3 GLU 45 9.539 -4.516 -15.387 339 H HIS 46 H HIS 46 9.379 -5.207 -13.599 340 HA HIS 46 HA HIS 46 7.677 -6.109 -11.402 341 HB2 HIS 46 HB2 HIS 46 9.758 -4.026 -10.982 342 HB3 HIS 46 HB3 HIS 46 9.303 -5.384 -9.958 343 HD1 HIS 46 HD1 HIS 46 10.388 -7.697 -10.512 344 HD2 HIS 46 HD2 HIS 46 11.818 -4.518 -12.774 345 HE1 HIS 46 HE1 HIS 46 12.494 -8.539 -11.599 346 H VAL 47 H VAL 47 6.228 -4.822 -10.350 347 HA VAL 47 HA VAL 47 6.044 -1.995 -10.936 348 HB VAL 47 HB VAL 47 3.727 -2.068 -11.721 349 HG11 VAL 47 HG11 VAL 47 5.434 -3.833 -13.464 350 HG12 VAL 47 HG12 VAL 47 4.162 -2.719 -13.970 351 HG13 VAL 47 HG13 VAL 47 5.673 -2.093 -13.306 352 HG21 VAL 47 HG21 VAL 47 2.608 -4.095 -12.285 353 HG22 VAL 47 HG22 VAL 47 4.052 -5.054 -11.962 354 HG23 VAL 47 HG23 VAL 47 3.201 -4.267 -10.633 355 H GLU 48 H GLU 48 4.941 -0.856 -9.381 356 HA GLU 48 HA GLU 48 4.312 -2.332 -6.959 357 HB2 GLU 48 HB2 GLU 48 5.707 -0.242 -6.948 358 HB3 GLU 48 HB3 GLU 48 4.265 0.655 -7.399 359 HG2 GLU 48 HG2 GLU 48 3.189 0.105 -5.346 360 HG3 GLU 48 HG3 GLU 48 4.471 -1.025 -4.915 361 H PHE 49 H PHE 49 2.354 -1.838 -5.723 362 HA PHE 49 HA PHE 49 0.102 -0.675 -7.070 363 HB2 PHE 49 HB2 PHE 49 -1.274 -2.702 -7.137 364 HB3 PHE 49 HB3 PHE 49 0.154 -2.880 -8.151 365 HD1 PHE 49 HD1 PHE 49 2.070 -4.251 -7.335 366 HD2 PHE 49 HD2 PHE 49 -1.681 -4.150 -5.326 367 HE1 PHE 49 HE1 PHE 49 2.652 -6.328 -6.151 368 HE2 PHE 49 HE2 PHE 49 -1.104 -6.226 -4.138 369 HZ PHE 49 HZ PHE 49 1.064 -7.318 -4.551 370 H GLU 50 H GLU 50 -1.307 0.103 -5.618 371 HA GLU 50 HA GLU 50 -0.865 -0.580 -2.808 372 HB2 GLU 50 HB2 GLU 50 -1.465 1.835 -4.211 373 HB3 GLU 50 HB3 GLU 50 -2.775 1.508 -3.085 374 HG2 GLU 50 HG2 GLU 50 -0.557 1.028 -1.558 375 HG3 GLU 50 HG3 GLU 50 -0.036 2.365 -2.581 376 H VAL 51 H VAL 51 -2.019 -2.378 -2.342 377 HA VAL 51 HA VAL 51 -4.545 -3.021 -3.418 378 HB VAL 51 HB VAL 51 -4.688 -4.719 -1.657 379 HG11 VAL 51 HG11 VAL 51 -3.290 -5.996 -2.825 380 HG12 VAL 51 HG12 VAL 51 -2.762 -4.532 -3.656 381 HG13 VAL 51 HG13 VAL 51 -1.885 -5.107 -2.238 382 HG21 VAL 51 HG21 VAL 51 -2.725 -4.903 -0.073 383 HG22 VAL 51 HG22 VAL 51 -2.321 -3.246 -0.521 384 HG23 VAL 51 HG23 VAL 51 -3.864 -3.598 0.258 385 H GLU 52 H GLU 52 -6.497 -2.253 -2.967 386 HA GLU 52 HA GLU 52 -6.876 -0.798 -0.433 387 HB2 GLU 52 HB2 GLU 52 -7.793 -0.259 -3.212 388 HB3 GLU 52 HB3 GLU 52 -8.886 0.165 -1.902 389 HG2 GLU 52 HG2 GLU 52 -6.077 1.162 -2.306 390 HG3 GLU 52 HG3 GLU 52 -7.570 2.079 -2.499 391 HA PRO 53 HA PRO 53 -10.103 -3.520 0.756 392 HB2 PRO 53 HB2 PRO 53 -11.888 -1.830 1.908 393 HB3 PRO 53 HB3 PRO 53 -10.342 -2.249 2.655 394 HG2 PRO 53 HG2 PRO 53 -11.089 0.189 1.086 395 HG3 PRO 53 HG3 PRO 53 -10.142 0.067 2.581 396 HD2 PRO 53 HD2 PRO 53 -8.992 0.378 0.149 397 HD3 PRO 53 HD3 PRO 53 -8.218 -0.534 1.461 398 H GLY 54 H GLY 54 -12.341 -0.891 0.352 399 HA2 GLY 54 HA2 GLY 54 -13.937 -2.482 -1.454 400 HA3 GLY 54 HA3 GLY 54 -14.363 -0.913 -0.788 401 H ARG 55 H ARG 55 -11.891 -2.261 -2.981 402 HA ARG 55 HA ARG 55 -12.567 -0.126 -4.888 403 HB2 ARG 55 HB2 ARG 55 -9.835 -0.972 -3.943 404 HB3 ARG 55 HB3 ARG 55 -10.071 -0.142 -5.475 405 HG2 ARG 55 HG2 ARG 55 -10.862 0.921 -2.771 406 HG3 ARG 55 HG3 ARG 55 -9.429 1.392 -3.686 407 HD2 ARG 55 HD2 ARG 55 -10.942 2.130 -5.528 408 HD3 ARG 55 HD3 ARG 55 -12.311 1.810 -4.464 409 HE ARG 55 HE ARG 55 -10.348 3.581 -3.333 410 HH11 ARG 55 HH11 ARG 55 -13.190 3.349 -5.329 411 HH12 ARG 55 HH12 ARG 55 -13.678 4.989 -5.052 412 HH21 ARG 55 HH21 ARG 55 -10.978 5.741 -2.961 413 HH22 ARG 55 HH22 ARG 55 -12.418 6.348 -3.705 414 H GLY 56 H GLY 56 -11.102 -3.306 -4.375 415 HA2 GLY 56 HA2 GLY 56 -11.522 -3.902 -7.232 416 HA3 GLY 56 HA3 GLY 56 -10.396 -4.748 -6.182 417 H GLY 57 H GLY 57 -12.532 -5.820 -7.882 418 HA2 GLY 57 HA2 GLY 57 -14.841 -6.563 -6.593 419 HA3 GLY 57 HA3 GLY 57 -13.995 -7.589 -7.742 420 H LYS 58 H LYS 58 -11.845 -8.502 -6.605 421 HA LYS 58 HA LYS 58 -12.796 -10.300 -4.620 422 HB2 LYS 58 HB2 LYS 58 -9.978 -9.763 -5.575 423 HB3 LYS 58 HB3 LYS 58 -10.462 -11.122 -4.571 424 HG2 LYS 58 HG2 LYS 58 -11.392 -10.573 -7.382 425 HG3 LYS 58 HG3 LYS 58 -10.223 -11.798 -6.886 426 HD2 LYS 58 HD2 LYS 58 -13.117 -11.681 -6.036 427 HD3 LYS 58 HD3 LYS 58 -12.447 -12.761 -7.261 428 HE2 LYS 58 HE2 LYS 58 -11.774 -12.708 -4.322 429 HE3 LYS 58 HE3 LYS 58 -12.681 -13.955 -5.178 430 HZ1 LYS 58 HZ1 LYS 58 -9.840 -13.572 -4.975 431 HZ2 LYS 58 HZ2 LYS 58 -10.361 -13.824 -6.564 432 HZ3 LYS 58 HZ3 LYS 58 -10.718 -14.965 -5.366 433 H GLY 59 H GLY 59 -11.691 -7.139 -4.422 434 HA2 GLY 59 HA2 GLY 59 -11.978 -6.190 -2.134 435 HA3 GLY 59 HA3 GLY 59 -10.958 -7.510 -1.582 436 HA PRO 60 HA PRO 60 -7.381 -5.032 -2.066 437 HB2 PRO 60 HB2 PRO 60 -5.534 -6.843 -2.892 438 HB3 PRO 60 HB3 PRO 60 -6.165 -6.799 -1.242 439 HG2 PRO 60 HG2 PRO 60 -6.949 -8.573 -3.522 440 HG3 PRO 60 HG3 PRO 60 -6.691 -8.989 -1.818 441 HD2 PRO 60 HD2 PRO 60 -9.159 -8.635 -2.874 442 HD3 PRO 60 HD3 PRO 60 -8.775 -8.234 -1.188 443 H GLN 61 H GLN 61 -7.396 -3.552 -3.658 444 HA GLN 61 HA GLN 61 -6.942 -4.484 -6.416 445 HB2 GLN 61 HB2 GLN 61 -9.108 -3.125 -5.616 446 HB3 GLN 61 HB3 GLN 61 -8.037 -1.766 -5.933 447 HG2 GLN 61 HG2 GLN 61 -7.654 -2.694 -8.214 448 HG3 GLN 61 HG3 GLN 61 -8.893 -3.900 -7.871 449 HE21 GLN 61 HE21 GLN 61 -8.614 -0.412 -7.274 450 HE22 GLN 61 HE22 GLN 61 -10.106 0.011 -8.034 451 H ALA 62 H ALA 62 -5.767 -2.914 -7.807 452 HA ALA 62 HA ALA 62 -3.418 -1.960 -6.394 453 HB1 ALA 62 HB1 ALA 62 -2.694 -1.436 -8.821 454 HB2 ALA 62 HB2 ALA 62 -2.814 -3.119 -8.308 455 HB3 ALA 62 HB3 ALA 62 -4.101 -2.398 -9.275 456 H LYS 63 H LYS 63 -5.197 -0.355 -5.454 457 HA LYS 63 HA LYS 63 -6.233 1.792 -6.743 458 HB2 LYS 63 HB2 LYS 63 -6.608 1.606 -4.412 459 HB3 LYS 63 HB3 LYS 63 -4.887 1.637 -4.053 460 HG2 LYS 63 HG2 LYS 63 -6.044 3.730 -3.461 461 HG3 LYS 63 HG3 LYS 63 -4.752 3.964 -4.641 462 HD2 LYS 63 HD2 LYS 63 -6.749 5.253 -5.229 463 HD3 LYS 63 HD3 LYS 63 -6.396 4.022 -6.444 464 HE2 LYS 63 HE2 LYS 63 -8.089 2.561 -5.444 465 HE3 LYS 63 HE3 LYS 63 -8.442 3.797 -4.237 466 HZ1 LYS 63 HZ1 LYS 63 -8.684 5.113 -6.604 467 HZ2 LYS 63 HZ2 LYS 63 -9.962 4.514 -5.673 468 HZ3 LYS 63 HZ3 LYS 63 -9.341 3.592 -6.948 469 H LYS 64 H LYS 64 -2.885 1.545 -5.570 470 HA LYS 64 HA LYS 64 -2.173 3.710 -7.439 471 HB2 LYS 64 HB2 LYS 64 -1.902 3.712 -4.647 472 HB3 LYS 64 HB3 LYS 64 -0.282 3.425 -5.269 473 HG2 LYS 64 HG2 LYS 64 -0.474 5.751 -5.049 474 HG3 LYS 64 HG3 LYS 64 -0.653 5.427 -6.774 475 HD2 LYS 64 HD2 LYS 64 -2.321 7.019 -6.170 476 HD3 LYS 64 HD3 LYS 64 -3.137 5.476 -6.432 477 HE2 LYS 64 HE2 LYS 64 -3.213 5.085 -4.037 478 HE3 LYS 64 HE3 LYS 64 -2.322 6.578 -3.744 479 HZ1 LYS 64 HZ1 LYS 64 -4.162 7.822 -4.692 480 HZ2 LYS 64 HZ2 LYS 64 -4.692 6.877 -3.393 481 HZ3 LYS 64 HZ3 LYS 64 -5.016 6.390 -4.981 482 H VAL 65 H VAL 65 -1.382 2.538 -9.114 483 HA VAL 65 HA VAL 65 0.619 0.466 -8.551 484 HB VAL 65 HB VAL 65 -1.431 0.754 -10.555 485 HG11 VAL 65 HG11 VAL 65 -0.103 0.005 -12.499 486 HG12 VAL 65 HG12 VAL 65 0.297 1.646 -11.990 487 HG13 VAL 65 HG13 VAL 65 1.370 0.308 -11.580 488 HG21 VAL 65 HG21 VAL 65 -0.729 -1.208 -9.026 489 HG22 VAL 65 HG22 VAL 65 -1.275 -1.562 -10.666 490 HG23 VAL 65 HG23 VAL 65 0.449 -1.563 -10.291 491 H ARG 66 H ARG 66 2.669 0.519 -9.445 492 HA ARG 66 HA ARG 66 3.437 2.974 -10.867 493 HB2 ARG 66 HB2 ARG 66 5.202 1.732 -8.769 494 HB3 ARG 66 HB3 ARG 66 5.331 3.324 -9.505 495 HG2 ARG 66 HG2 ARG 66 3.193 3.937 -8.372 496 HG3 ARG 66 HG3 ARG 66 3.273 2.393 -7.519 497 HD2 ARG 66 HD2 ARG 66 5.280 3.007 -6.416 498 HD3 ARG 66 HD3 ARG 66 5.503 4.412 -7.458 499 HE ARG 66 HE ARG 66 3.089 4.778 -6.165 500 HH11 ARG 66 HH11 ARG 66 6.436 4.416 -5.276 501 HH12 ARG 66 HH12 ARG 66 6.296 5.381 -3.845 502 HH21 ARG 66 HH21 ARG 66 2.892 6.051 -4.282 503 HH22 ARG 66 HH22 ARG 66 4.279 6.310 -3.280 504 H ARG 67 H ARG 67 5.370 2.788 -12.146 505 HA ARG 67 HA ARG 67 5.696 0.091 -13.210 506 HB2 ARG 67 HB2 ARG 67 6.665 2.760 -14.250 507 HB3 ARG 67 HB3 ARG 67 6.873 1.220 -15.073 508 HG2 ARG 67 HG2 ARG 67 4.187 1.247 -14.656 509 HG3 ARG 67 HG3 ARG 67 4.529 2.961 -14.896 510 HD2 ARG 67 HD2 ARG 67 6.004 1.554 -16.842 511 HD3 ARG 67 HD3 ARG 67 4.385 0.857 -16.831 512 HE ARG 67 HE ARG 67 3.595 2.788 -17.760 513 HH11 ARG 67 HH11 ARG 67 6.735 3.400 -16.388 514 HH12 ARG 67 HH12 ARG 67 6.847 5.006 -17.031 515 HH21 ARG 67 HH21 ARG 67 3.730 4.900 -18.611 516 HH22 ARG 67 HH22 ARG 67 5.137 5.858 -18.294 517 H ILE 68 H ILE 68 7.493 -1.101 -12.988 518 HA ILE 68 HA ILE 68 9.949 0.180 -12.031 519 HB ILE 68 HB ILE 68 8.736 -2.282 -10.770 520 HG12 ILE 68 HG12 ILE 68 8.024 0.270 -10.251 521 HG13 ILE 68 HG13 ILE 68 8.035 -0.997 -9.029 522 HG21 ILE 68 HG21 ILE 68 11.368 -0.891 -10.329 523 HG22 ILE 68 HG22 ILE 68 10.676 -2.046 -9.191 524 HG23 ILE 68 HG23 ILE 68 11.095 -2.561 -10.825 525 HD11 ILE 68 HD11 ILE 68 10.106 -0.265 -8.162 526 HD12 ILE 68 HD12 ILE 68 10.378 0.810 -9.534 527 HD13 ILE 68 HD13 ILE 68 9.104 1.171 -8.370
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