NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25303 | 2k7i | 15916 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -13.364 8.151 10.243 2 HA MET 1 HA MET 1 -13.363 7.971 7.817 3 HB2 MET 1 HB2 MET 1 -12.157 9.794 9.179 4 HB3 MET 1 HB3 MET 1 -10.661 8.933 8.862 5 HG2 MET 1 HG2 MET 1 -11.060 9.247 6.418 6 HG3 MET 1 HG3 MET 1 -12.488 10.206 6.809 7 HE1 MET 1 HE1 MET 1 -11.017 11.534 9.625 8 HE2 MET 1 HE2 MET 1 -12.177 12.397 8.612 9 HE3 MET 1 HE3 MET 1 -10.595 13.102 8.941 10 H TYR 2 H TYR 2 -9.923 7.385 8.420 11 HA TYR 2 HA TYR 2 -9.785 4.666 7.753 12 HB2 TYR 2 HB2 TYR 2 -8.472 5.041 5.525 13 HB3 TYR 2 HB3 TYR 2 -10.225 4.998 5.492 14 HD1 TYR 2 HD1 TYR 2 -7.400 7.501 5.674 15 HD2 TYR 2 HD2 TYR 2 -11.374 6.668 4.363 16 HE1 TYR 2 HE1 TYR 2 -7.457 9.638 4.445 17 HE2 TYR 2 HE2 TYR 2 -11.430 8.778 3.151 18 HH TYR 2 HH TYR 2 -10.314 10.980 3.263 19 H LYS 3 H LYS 3 -7.475 3.994 7.356 20 HA LYS 3 HA LYS 3 -5.337 5.679 8.126 21 HB2 LYS 3 HB2 LYS 3 -4.872 4.609 10.394 22 HB3 LYS 3 HB3 LYS 3 -6.214 5.727 10.360 23 HG2 LYS 3 HG2 LYS 3 -6.774 3.860 11.781 24 HG3 LYS 3 HG3 LYS 3 -7.792 3.776 10.342 25 HD2 LYS 3 HD2 LYS 3 -6.524 1.957 9.433 26 HD3 LYS 3 HD3 LYS 3 -5.213 2.189 10.594 27 HE2 LYS 3 HE2 LYS 3 -6.568 0.205 11.130 28 HE3 LYS 3 HE3 LYS 3 -6.659 1.415 12.411 29 HZ1 LYS 3 HZ1 LYS 3 -8.690 0.942 10.312 30 HZ2 LYS 3 HZ2 LYS 3 -8.780 2.129 11.512 31 HZ3 LYS 3 HZ3 LYS 3 -8.804 0.495 11.938 32 H PHE 4 H PHE 4 -3.450 4.170 9.024 33 HA PHE 4 HA PHE 4 -3.151 1.930 7.140 34 HB2 PHE 4 HB2 PHE 4 -1.127 3.632 8.648 35 HB3 PHE 4 HB3 PHE 4 -0.673 2.163 7.786 36 HD1 PHE 4 HD1 PHE 4 -1.848 5.648 7.396 37 HD2 PHE 4 HD2 PHE 4 -0.664 2.079 5.362 38 HE1 PHE 4 HE1 PHE 4 -1.661 6.903 5.291 39 HE2 PHE 4 HE2 PHE 4 -0.473 3.341 3.265 40 HZ PHE 4 HZ PHE 4 -0.973 5.748 3.224 41 H GLU 5 H GLU 5 -3.615 0.027 7.985 42 HA GLU 5 HA GLU 5 -3.220 -0.546 10.842 43 HB2 GLU 5 HB2 GLU 5 -4.561 -2.579 10.459 44 HB3 GLU 5 HB3 GLU 5 -5.427 -1.138 9.956 45 HG2 GLU 5 HG2 GLU 5 -4.922 -1.660 7.603 46 HG3 GLU 5 HG3 GLU 5 -4.040 -3.097 8.118 47 H ILE 6 H ILE 6 -1.281 -1.414 11.403 48 HA ILE 6 HA ILE 6 0.440 -2.608 9.326 49 HB ILE 6 HB ILE 6 1.274 -1.701 12.116 50 HG12 ILE 6 HG12 ILE 6 1.618 -0.085 9.552 51 HG13 ILE 6 HG13 ILE 6 0.302 0.186 10.689 52 HG21 ILE 6 HG21 ILE 6 2.939 -2.276 9.622 53 HG22 ILE 6 HG22 ILE 6 2.815 -3.319 11.041 54 HG23 ILE 6 HG23 ILE 6 3.573 -1.730 11.180 55 HD11 ILE 6 HD11 ILE 6 1.924 0.729 12.434 56 HD12 ILE 6 HD12 ILE 6 2.108 1.756 11.014 57 HD13 ILE 6 HD13 ILE 6 3.238 0.437 11.291 58 H TYR 7 H TYR 7 0.420 -4.749 9.341 59 HA TYR 7 HA TYR 7 0.446 -6.215 11.889 60 HB2 TYR 7 HB2 TYR 7 -1.176 -7.840 11.146 61 HB3 TYR 7 HB3 TYR 7 -1.901 -6.247 11.014 62 HD1 TYR 7 HD1 TYR 7 -1.969 -5.157 8.673 63 HD2 TYR 7 HD2 TYR 7 -1.119 -9.298 9.272 64 HE1 TYR 7 HE1 TYR 7 -2.570 -5.633 6.355 65 HE2 TYR 7 HE2 TYR 7 -1.729 -9.765 6.948 66 HH TYR 7 HH TYR 7 -3.077 -8.799 5.191 67 H GLN 8 H GLN 8 1.171 -8.512 11.510 68 HA GLN 8 HA GLN 8 2.961 -8.717 9.165 69 HB2 GLN 8 HB2 GLN 8 4.592 -9.855 10.349 70 HB3 GLN 8 HB3 GLN 8 3.970 -8.838 11.642 71 HG2 GLN 8 HG2 GLN 8 2.582 -10.758 12.417 72 HG3 GLN 8 HG3 GLN 8 3.296 -11.747 11.156 73 HE21 GLN 8 HE21 GLN 8 5.993 -10.697 11.416 74 HE22 GLN 8 HE22 GLN 8 6.625 -11.316 12.898 75 H ASP 9 H ASP 9 2.769 -10.528 7.937 76 HA ASP 9 HA ASP 9 0.287 -11.958 7.990 77 HB2 ASP 9 HB2 ASP 9 1.285 -11.173 5.861 78 HB3 ASP 9 HB3 ASP 9 2.715 -12.156 6.143 79 H LYS 10 H LYS 10 0.243 -14.358 7.829 80 HA LYS 10 HA LYS 10 1.327 -15.748 9.923 81 HB2 LYS 10 HB2 LYS 10 0.736 -17.865 8.580 82 HB3 LYS 10 HB3 LYS 10 -0.552 -16.728 8.925 83 HG2 LYS 10 HG2 LYS 10 -0.966 -17.360 6.710 84 HG3 LYS 10 HG3 LYS 10 -0.167 -15.800 6.551 85 HD2 LYS 10 HD2 LYS 10 0.688 -17.344 4.869 86 HD3 LYS 10 HD3 LYS 10 1.963 -16.954 6.017 87 HE2 LYS 10 HE2 LYS 10 1.601 -19.113 7.164 88 HE3 LYS 10 HE3 LYS 10 0.319 -19.512 6.017 89 HZ1 LYS 10 HZ1 LYS 10 3.155 -19.013 5.289 90 HZ2 LYS 10 HZ2 LYS 10 1.923 -19.516 4.247 91 HZ3 LYS 10 HZ3 LYS 10 2.459 -20.543 5.481 92 H ALA 11 H ALA 11 2.765 -15.201 6.822 93 HA ALA 11 HA ALA 11 5.026 -16.989 7.034 94 HB1 ALA 11 HB1 ALA 11 5.831 -15.810 5.014 95 HB2 ALA 11 HB2 ALA 11 4.576 -14.578 5.222 96 HB3 ALA 11 HB3 ALA 11 4.127 -16.248 4.861 97 H GLY 12 H GLY 12 4.421 -14.573 9.063 98 HA2 GLY 12 HA2 GLY 12 5.604 -13.200 10.448 99 HA3 GLY 12 HA3 GLY 12 7.078 -13.902 9.802 100 H GLU 13 H GLU 13 4.706 -12.378 7.718 101 HA GLU 13 HA GLU 13 6.862 -10.587 6.780 102 HB2 GLU 13 HB2 GLU 13 4.337 -11.594 5.427 103 HB3 GLU 13 HB3 GLU 13 5.308 -10.283 4.754 104 HG2 GLU 13 HG2 GLU 13 7.301 -11.898 4.841 105 HG3 GLU 13 HG3 GLU 13 6.128 -13.172 5.183 106 H TYR 14 H TYR 14 6.764 -8.929 8.237 107 HA TYR 14 HA TYR 14 4.614 -7.369 8.967 108 HB2 TYR 14 HB2 TYR 14 7.488 -6.509 8.432 109 HB3 TYR 14 HB3 TYR 14 6.282 -5.461 9.176 110 HD1 TYR 14 HD1 TYR 14 8.364 -8.481 9.679 111 HD2 TYR 14 HD2 TYR 14 5.535 -5.827 11.461 112 HE1 TYR 14 HE1 TYR 14 8.846 -9.449 11.880 113 HE2 TYR 14 HE2 TYR 14 6.019 -6.789 13.665 114 HH TYR 14 HH TYR 14 6.936 -8.794 14.652 115 H ARG 15 H ARG 15 3.494 -5.852 8.095 116 HA ARG 15 HA ARG 15 3.813 -4.669 5.502 117 HB2 ARG 15 HB2 ARG 15 1.851 -5.722 4.415 118 HB3 ARG 15 HB3 ARG 15 3.128 -6.880 4.753 119 HG2 ARG 15 HG2 ARG 15 1.641 -7.277 6.964 120 HG3 ARG 15 HG3 ARG 15 0.369 -6.692 5.893 121 HD2 ARG 15 HD2 ARG 15 1.999 -9.209 5.743 122 HD3 ARG 15 HD3 ARG 15 0.270 -8.982 5.510 123 HE ARG 15 HE ARG 15 2.407 -8.428 3.548 124 HH11 ARG 15 HH11 ARG 15 -0.996 -9.114 4.125 125 HH12 ARG 15 HH12 ARG 15 -1.389 -9.108 2.437 126 HH21 ARG 15 HH21 ARG 15 1.855 -8.346 1.369 127 HH22 ARG 15 HH22 ARG 15 0.224 -8.679 0.872 128 H PHE 16 H PHE 16 1.788 -3.429 4.897 129 HA PHE 16 HA PHE 16 0.006 -2.785 7.116 130 HB2 PHE 16 HB2 PHE 16 0.382 -0.316 6.824 131 HB3 PHE 16 HB3 PHE 16 1.765 -1.162 7.495 132 HD1 PHE 16 HD1 PHE 16 3.850 -1.423 6.171 133 HD2 PHE 16 HD2 PHE 16 0.515 0.761 4.613 134 HE1 PHE 16 HE1 PHE 16 5.304 -0.401 4.475 135 HE2 PHE 16 HE2 PHE 16 1.979 1.773 2.918 136 HZ PHE 16 HZ PHE 16 4.369 1.198 2.846 137 H ARG 17 H ARG 17 -1.985 -2.280 6.443 138 HA ARG 17 HA ARG 17 -2.509 -1.961 3.548 139 HB2 ARG 17 HB2 ARG 17 -4.378 -2.849 5.802 140 HB3 ARG 17 HB3 ARG 17 -4.854 -2.631 4.119 141 HG2 ARG 17 HG2 ARG 17 -3.200 -4.393 3.482 142 HG3 ARG 17 HG3 ARG 17 -2.876 -4.658 5.189 143 HD2 ARG 17 HD2 ARG 17 -5.548 -5.071 3.803 144 HD3 ARG 17 HD3 ARG 17 -4.412 -6.345 4.254 145 HE ARG 17 HE ARG 17 -5.613 -4.594 6.307 146 HH11 ARG 17 HH11 ARG 17 -5.079 -7.819 5.077 147 HH12 ARG 17 HH12 ARG 17 -5.815 -8.582 6.446 148 HH21 ARG 17 HH21 ARG 17 -6.558 -5.621 8.091 149 HH22 ARG 17 HH22 ARG 17 -6.658 -7.352 8.134 150 H PHE 18 H PHE 18 -4.309 -0.464 3.049 151 HA PHE 18 HA PHE 18 -4.699 1.696 5.057 152 HB2 PHE 18 HB2 PHE 18 -3.139 2.485 3.268 153 HB3 PHE 18 HB3 PHE 18 -4.342 2.087 2.053 154 HD1 PHE 18 HD1 PHE 18 -4.626 3.911 5.329 155 HD2 PHE 18 HD2 PHE 18 -4.995 4.108 1.085 156 HE1 PHE 18 HE1 PHE 18 -5.449 6.209 5.503 157 HE2 PHE 18 HE2 PHE 18 -5.800 6.416 1.262 158 HZ PHE 18 HZ PHE 18 -6.048 7.463 3.473 159 H LYS 19 H LYS 19 -6.731 2.502 5.154 160 HA LYS 19 HA LYS 19 -8.855 0.820 3.994 161 HB2 LYS 19 HB2 LYS 19 -8.943 2.756 6.357 162 HB3 LYS 19 HB3 LYS 19 -10.233 1.646 5.876 163 HG2 LYS 19 HG2 LYS 19 -7.469 0.841 6.873 164 HG3 LYS 19 HG3 LYS 19 -8.951 0.822 7.835 165 HD2 LYS 19 HD2 LYS 19 -8.541 -0.817 5.299 166 HD3 LYS 19 HD3 LYS 19 -8.245 -1.433 6.919 167 HE2 LYS 19 HE2 LYS 19 -10.649 -1.001 7.475 168 HE3 LYS 19 HE3 LYS 19 -10.915 -0.513 5.799 169 HZ1 LYS 19 HZ1 LYS 19 -11.531 -2.809 6.136 170 HZ2 LYS 19 HZ2 LYS 19 -9.989 -3.173 6.717 171 HZ3 LYS 19 HZ3 LYS 19 -10.192 -2.721 5.105 172 H ALA 20 H ALA 20 -11.000 2.190 4.044 173 HA ALA 20 HA ALA 20 -10.736 4.820 2.761 174 HB1 ALA 20 HB1 ALA 20 -12.447 4.223 1.074 175 HB2 ALA 20 HB2 ALA 20 -12.483 2.568 1.687 176 HB3 ALA 20 HB3 ALA 20 -11.023 3.189 0.919 177 H SER 21 H SER 21 -12.771 6.053 2.902 178 HA SER 21 HA SER 21 -13.813 6.223 5.448 179 HB2 SER 21 HB2 SER 21 -15.570 7.747 4.381 180 HB3 SER 21 HB3 SER 21 -13.893 8.128 3.984 181 HG SER 21 HG SER 21 -14.324 7.769 1.976 182 H ASN 22 H ASN 22 -15.045 4.243 2.820 183 HA ASN 22 HA ASN 22 -17.532 3.565 4.194 184 HB2 ASN 22 HB2 ASN 22 -17.396 3.849 1.703 185 HB3 ASN 22 HB3 ASN 22 -16.340 2.447 1.612 186 HD21 ASN 22 HD21 ASN 22 -17.244 0.420 1.702 187 HD22 ASN 22 HD22 ASN 22 -18.948 0.128 1.690 188 H GLY 23 H GLY 23 -14.646 2.837 5.144 189 HA2 GLY 23 HA2 GLY 23 -13.712 1.262 6.502 190 HA3 GLY 23 HA3 GLY 23 -15.317 0.575 6.657 191 H GLU 24 H GLU 24 -12.992 0.862 3.976 192 HA GLU 24 HA GLU 24 -12.944 -2.062 3.649 193 HB2 GLU 24 HB2 GLU 24 -13.307 -1.729 1.146 194 HB3 GLU 24 HB3 GLU 24 -14.726 -1.468 2.155 195 HG2 GLU 24 HG2 GLU 24 -14.513 0.941 1.954 196 HG3 GLU 24 HG3 GLU 24 -12.963 0.794 1.134 197 H THR 25 H THR 25 -11.006 -2.815 2.931 198 HA THR 25 HA THR 25 -8.740 -1.027 2.826 199 HB THR 25 HB THR 25 -8.999 -4.040 2.535 200 HG1 THR 25 HG1 THR 25 -7.719 -3.706 4.630 201 HG21 THR 25 HG21 THR 25 -6.434 -2.413 2.660 202 HG22 THR 25 HG22 THR 25 -6.994 -3.348 1.272 203 HG23 THR 25 HG23 THR 25 -6.533 -4.172 2.761 204 H MET 26 H MET 26 -7.487 -0.597 1.099 205 HA MET 26 HA MET 26 -8.525 -1.215 -1.609 206 HB2 MET 26 HB2 MET 26 -7.538 1.174 -2.152 207 HB3 MET 26 HB3 MET 26 -9.135 1.010 -1.440 208 HG2 MET 26 HG2 MET 26 -7.878 2.814 -0.398 209 HG3 MET 26 HG3 MET 26 -8.218 1.545 0.776 210 HE1 MET 26 HE1 MET 26 -5.452 1.736 -2.035 211 HE2 MET 26 HE2 MET 26 -4.157 2.463 -1.089 212 HE3 MET 26 HE3 MET 26 -5.648 3.354 -1.372 213 H PHE 27 H PHE 27 -5.632 -0.964 0.404 214 HA PHE 27 HA PHE 27 -4.403 -2.753 -1.521 215 HB2 PHE 27 HB2 PHE 27 -2.455 -1.602 -2.078 216 HB3 PHE 27 HB3 PHE 27 -3.587 -0.266 -2.024 217 HD1 PHE 27 HD1 PHE 27 -3.528 1.270 -0.022 218 HD2 PHE 27 HD2 PHE 27 -0.536 -1.672 -0.578 219 HE1 PHE 27 HE1 PHE 27 -2.109 2.499 1.494 220 HE2 PHE 27 HE2 PHE 27 0.919 -0.455 0.994 221 HZ PHE 27 HZ PHE 27 0.148 1.642 2.032 222 H SER 28 H SER 28 -2.613 -3.819 -0.774 223 HA SER 28 HA SER 28 -1.859 -3.613 2.078 224 HB2 SER 28 HB2 SER 28 -3.256 -5.687 1.752 225 HB3 SER 28 HB3 SER 28 -2.082 -6.258 0.568 226 HG SER 28 HG SER 28 -1.333 -7.132 2.365 227 H SER 29 H SER 29 0.393 -3.877 2.410 228 HA SER 29 HA SER 29 1.994 -3.410 -0.030 229 HB2 SER 29 HB2 SER 29 1.958 -1.539 1.567 230 HB3 SER 29 HB3 SER 29 2.452 -2.602 2.880 231 HG SER 29 HG SER 29 4.108 -1.253 1.812 232 H GLU 30 H GLU 30 4.310 -4.053 0.267 233 HA GLU 30 HA GLU 30 4.697 -6.770 1.170 234 HB2 GLU 30 HB2 GLU 30 7.039 -6.383 0.391 235 HB3 GLU 30 HB3 GLU 30 5.860 -5.934 -0.840 236 HG2 GLU 30 HG2 GLU 30 6.172 -3.588 -0.432 237 HG3 GLU 30 HG3 GLU 30 7.084 -3.888 1.045 238 H GLY 31 H GLY 31 4.806 -3.672 2.660 239 HA2 GLY 31 HA2 GLY 31 5.364 -2.936 4.739 240 HA3 GLY 31 HA3 GLY 31 5.765 -4.579 5.176 241 H TYR 32 H TYR 32 7.636 -4.101 2.618 242 HA TYR 32 HA TYR 32 9.512 -3.080 1.930 243 HB2 TYR 32 HB2 TYR 32 8.728 -1.055 3.310 244 HB3 TYR 32 HB3 TYR 32 9.770 -1.640 4.600 245 HD1 TYR 32 HD1 TYR 32 10.594 -1.736 0.961 246 HD2 TYR 32 HD2 TYR 32 11.284 0.237 4.690 247 HE1 TYR 32 HE1 TYR 32 12.397 -0.432 -0.065 248 HE2 TYR 32 HE2 TYR 32 13.097 1.537 3.652 249 HH TYR 32 HH TYR 32 13.558 1.626 0.246 250 H LYS 33 H LYS 33 9.731 -4.000 5.399 251 HA LYS 33 HA LYS 33 11.526 -6.175 4.876 252 HB2 LYS 33 HB2 LYS 33 13.208 -4.411 4.698 253 HB3 LYS 33 HB3 LYS 33 12.668 -3.671 6.198 254 HG2 LYS 33 HG2 LYS 33 14.755 -4.872 6.564 255 HG3 LYS 33 HG3 LYS 33 13.457 -5.641 7.472 256 HD2 LYS 33 HD2 LYS 33 14.890 -7.348 6.450 257 HD3 LYS 33 HD3 LYS 33 13.287 -7.399 5.712 258 HE2 LYS 33 HE2 LYS 33 15.005 -7.608 3.991 259 HE3 LYS 33 HE3 LYS 33 14.138 -6.086 3.801 260 HZ1 LYS 33 HZ1 LYS 33 16.816 -6.429 5.028 261 HZ2 LYS 33 HZ2 LYS 33 15.979 -4.963 4.922 262 HZ3 LYS 33 HZ3 LYS 33 16.482 -5.755 3.516 263 H ALA 34 H ALA 34 10.562 -3.881 7.452 264 HA ALA 34 HA ALA 34 9.898 -6.063 9.307 265 HB1 ALA 34 HB1 ALA 34 11.427 -5.207 11.042 266 HB2 ALA 34 HB2 ALA 34 12.031 -3.976 9.928 267 HB3 ALA 34 HB3 ALA 34 12.337 -5.682 9.602 268 H LYS 35 H LYS 35 9.435 -4.617 11.657 269 HA LYS 35 HA LYS 35 7.137 -3.106 11.095 270 HB2 LYS 35 HB2 LYS 35 7.423 -4.334 13.206 271 HB3 LYS 35 HB3 LYS 35 8.837 -3.365 13.615 272 HG2 LYS 35 HG2 LYS 35 7.276 -1.330 13.613 273 HG3 LYS 35 HG3 LYS 35 5.934 -2.471 13.519 274 HD2 LYS 35 HD2 LYS 35 8.020 -2.435 15.736 275 HD3 LYS 35 HD3 LYS 35 6.439 -1.663 15.842 276 HE2 LYS 35 HE2 LYS 35 6.869 -4.639 15.401 277 HE3 LYS 35 HE3 LYS 35 6.539 -3.895 16.966 278 HZ1 LYS 35 HZ1 LYS 35 4.404 -3.183 16.196 279 HZ2 LYS 35 HZ2 LYS 35 4.563 -4.835 15.862 280 HZ3 LYS 35 HZ3 LYS 35 4.731 -3.698 14.623 281 H ALA 36 H ALA 36 10.380 -2.156 12.241 282 HA ALA 36 HA ALA 36 10.059 0.604 12.394 283 HB1 ALA 36 HB1 ALA 36 12.509 0.756 12.263 284 HB2 ALA 36 HB2 ALA 36 12.593 -0.900 11.658 285 HB3 ALA 36 HB3 ALA 36 12.018 -0.591 13.297 286 H SER 37 H SER 37 10.911 -1.416 9.620 287 HA SER 37 HA SER 37 11.332 0.685 7.728 288 HB2 SER 37 HB2 SER 37 10.610 -2.212 7.158 289 HB3 SER 37 HB3 SER 37 11.448 -1.090 6.086 290 HG SER 37 HG SER 37 13.002 -1.035 8.021 291 H ALA 38 H ALA 38 8.567 -1.142 8.851 292 HA ALA 38 HA ALA 38 6.742 -0.582 6.756 293 HB1 ALA 38 HB1 ALA 38 6.377 -2.451 8.317 294 HB2 ALA 38 HB2 ALA 38 4.993 -1.357 8.324 295 HB3 ALA 38 HB3 ALA 38 6.158 -1.317 9.655 296 H ILE 39 H ILE 39 6.975 0.848 10.097 297 HA ILE 39 HA ILE 39 5.257 2.986 9.745 298 HB ILE 39 HB ILE 39 7.654 2.641 11.595 299 HG12 ILE 39 HG12 ILE 39 5.805 2.722 13.383 300 HG13 ILE 39 HG13 ILE 39 4.634 2.692 12.072 301 HG21 ILE 39 HG21 ILE 39 7.004 4.707 12.826 302 HG22 ILE 39 HG22 ILE 39 5.852 5.090 11.544 303 HG23 ILE 39 HG23 ILE 39 7.582 5.051 11.195 304 HD11 ILE 39 HD11 ILE 39 6.631 0.536 12.739 305 HD12 ILE 39 HD12 ILE 39 5.467 0.484 11.413 306 HD13 ILE 39 HD13 ILE 39 4.900 0.523 13.081 307 H HIS 40 H HIS 40 8.807 2.883 9.141 308 HA HIS 40 HA HIS 40 9.178 5.564 8.392 309 HB2 HIS 40 HB2 HIS 40 10.738 3.042 7.967 310 HB3 HIS 40 HB3 HIS 40 11.137 4.372 6.890 311 HD1 HIS 40 HD1 HIS 40 12.176 6.497 7.942 312 HD2 HIS 40 HD2 HIS 40 11.576 3.402 10.645 313 HE1 HIS 40 HE1 HIS 40 13.540 7.103 9.962 314 HE2 HIS 40 HE2 HIS 40 13.121 5.231 11.600 315 H ALA 41 H ALA 41 8.214 2.776 6.410 316 HA ALA 41 HA ALA 41 8.091 4.051 3.919 317 HB1 ALA 41 HB1 ALA 41 7.966 1.597 4.201 318 HB2 ALA 41 HB2 ALA 41 6.594 2.203 3.273 319 HB3 ALA 41 HB3 ALA 41 6.383 1.760 4.970 320 H ILE 42 H ILE 42 5.542 3.527 6.381 321 HA ILE 42 HA ILE 42 3.496 4.972 5.132 322 HB ILE 42 HB ILE 42 3.944 4.514 8.107 323 HG12 ILE 42 HG12 ILE 42 2.160 2.945 6.181 324 HG13 ILE 42 HG13 ILE 42 3.806 2.460 6.575 325 HG21 ILE 42 HG21 ILE 42 1.502 4.904 8.357 326 HG22 ILE 42 HG22 ILE 42 1.390 5.319 6.646 327 HG23 ILE 42 HG23 ILE 42 2.323 6.339 7.744 328 HD11 ILE 42 HD11 ILE 42 2.176 1.229 7.845 329 HD12 ILE 42 HD12 ILE 42 1.543 2.724 8.535 330 HD13 ILE 42 HD13 ILE 42 3.196 2.206 8.897 331 H GLU 43 H GLU 43 6.266 6.086 6.933 332 HA GLU 43 HA GLU 43 5.368 8.669 7.656 333 HB2 GLU 43 HB2 GLU 43 8.174 7.573 7.237 334 HB3 GLU 43 HB3 GLU 43 7.882 9.231 7.748 335 HG2 GLU 43 HG2 GLU 43 7.161 6.707 9.262 336 HG3 GLU 43 HG3 GLU 43 8.422 7.866 9.666 337 H SER 44 H SER 44 7.017 7.397 4.752 338 HA SER 44 HA SER 44 7.300 9.732 3.250 339 HB2 SER 44 HB2 SER 44 6.703 6.873 2.473 340 HB3 SER 44 HB3 SER 44 6.817 8.116 1.229 341 HG SER 44 HG SER 44 8.936 8.494 1.863 342 H ILE 45 H ILE 45 4.400 7.805 3.851 343 HA ILE 45 HA ILE 45 2.842 8.984 1.772 344 HB ILE 45 HB ILE 45 1.426 7.742 4.173 345 HG12 ILE 45 HG12 ILE 45 3.394 6.196 3.645 346 HG13 ILE 45 HG13 ILE 45 1.812 5.459 3.436 347 HG21 ILE 45 HG21 ILE 45 0.132 8.631 2.302 348 HG22 ILE 45 HG22 ILE 45 -0.034 6.875 2.353 349 HG23 ILE 45 HG23 ILE 45 1.042 7.631 1.158 350 HD11 ILE 45 HD11 ILE 45 3.620 6.475 1.260 351 HD12 ILE 45 HD12 ILE 45 2.016 5.775 1.014 352 HD13 ILE 45 HD13 ILE 45 3.312 4.797 1.694 353 H LYS 46 H LYS 46 3.245 9.522 5.257 354 HA LYS 46 HA LYS 46 1.240 11.370 5.717 355 HB2 LYS 46 HB2 LYS 46 3.896 11.270 7.202 356 HB3 LYS 46 HB3 LYS 46 2.349 11.856 7.809 357 HG2 LYS 46 HG2 LYS 46 3.220 8.997 7.332 358 HG3 LYS 46 HG3 LYS 46 2.678 9.748 8.834 359 HD2 LYS 46 HD2 LYS 46 0.974 9.046 6.406 360 HD3 LYS 46 HD3 LYS 46 0.922 8.281 7.997 361 HE2 LYS 46 HE2 LYS 46 0.233 11.195 7.503 362 HE3 LYS 46 HE3 LYS 46 -0.933 9.898 7.538 363 HZ1 LYS 46 HZ1 LYS 46 0.849 10.658 9.767 364 HZ2 LYS 46 HZ2 LYS 46 -0.314 9.431 9.804 365 HZ3 LYS 46 HZ3 LYS 46 -0.792 11.042 9.640 366 H ARG 47 H ARG 47 4.158 11.829 4.089 367 HA ARG 47 HA ARG 47 4.706 14.543 4.845 368 HB2 ARG 47 HB2 ARG 47 5.801 12.987 2.469 369 HB3 ARG 47 HB3 ARG 47 6.463 14.486 3.113 370 HG2 ARG 47 HG2 ARG 47 6.467 11.746 4.403 371 HG3 ARG 47 HG3 ARG 47 7.854 12.693 3.870 372 HD2 ARG 47 HD2 ARG 47 7.349 14.372 5.651 373 HD3 ARG 47 HD3 ARG 47 6.020 13.347 6.210 374 HE ARG 47 HE ARG 47 8.901 12.612 6.287 375 HH11 ARG 47 HH11 ARG 47 5.656 12.230 7.603 376 HH12 ARG 47 HH12 ARG 47 6.194 11.266 8.943 377 HH21 ARG 47 HH21 ARG 47 9.576 11.374 8.084 378 HH22 ARG 47 HH22 ARG 47 8.396 10.784 9.214 379 H ASN 48 H ASN 48 3.545 13.151 1.743 380 HA ASN 48 HA ASN 48 1.949 15.448 1.039 381 HB2 ASN 48 HB2 ASN 48 4.289 16.352 0.721 382 HB3 ASN 48 HB3 ASN 48 4.580 15.122 -0.491 383 HD21 ASN 48 HD21 ASN 48 2.945 18.110 0.224 384 HD22 ASN 48 HD22 ASN 48 2.533 18.520 -1.403 385 H SER 49 H SER 49 2.034 12.358 1.036 386 HA SER 49 HA SER 49 2.046 11.441 -1.660 387 HB2 SER 49 HB2 SER 49 2.377 9.983 0.307 388 HB3 SER 49 HB3 SER 49 0.674 10.166 0.717 389 HG SER 49 HG SER 49 1.794 8.460 -0.962 390 H ALA 50 H ALA 50 -0.563 12.624 0.424 391 HA ALA 50 HA ALA 50 -2.735 12.149 -1.288 392 HB1 ALA 50 HB1 ALA 50 -2.984 12.787 1.066 393 HB2 ALA 50 HB2 ALA 50 -3.916 13.860 0.017 394 HB3 ALA 50 HB3 ALA 50 -2.381 14.404 0.704 395 H GLY 51 H GLY 51 -0.212 14.535 -1.464 396 HA2 GLY 51 HA2 GLY 51 -1.512 15.900 -3.748 397 HA3 GLY 51 HA3 GLY 51 -0.136 16.498 -2.835 398 H ALA 52 H ALA 52 0.722 13.404 -3.195 399 HA ALA 52 HA ALA 52 2.739 13.851 -5.106 400 HB1 ALA 52 HB1 ALA 52 3.193 11.428 -4.925 401 HB2 ALA 52 HB2 ALA 52 1.647 11.196 -4.088 402 HB3 ALA 52 HB3 ALA 52 2.930 12.151 -3.337 403 H ASP 53 H ASP 53 3.031 12.955 -7.248 404 HA ASP 53 HA ASP 53 0.618 12.940 -8.828 405 HB2 ASP 53 HB2 ASP 53 2.779 13.976 -9.602 406 HB3 ASP 53 HB3 ASP 53 3.461 12.359 -9.754 407 H THR 54 H THR 54 -0.037 11.222 -10.252 408 HA THR 54 HA THR 54 0.781 8.493 -9.417 409 HB THR 54 HB THR 54 -1.913 9.428 -10.507 410 HG1 THR 54 HG1 THR 54 -0.889 9.075 -7.894 411 HG21 THR 54 HG21 THR 54 -2.743 7.210 -9.696 412 HG22 THR 54 HG22 THR 54 -1.075 6.746 -9.344 413 HG23 THR 54 HG23 THR 54 -1.568 7.049 -11.013 414 H VAL 55 H VAL 55 2.302 8.011 -10.888 415 HA VAL 55 HA VAL 55 1.917 8.428 -13.785 416 HB VAL 55 HB VAL 55 4.399 7.398 -12.327 417 HG11 VAL 55 HG11 VAL 55 4.351 6.768 -14.690 418 HG12 VAL 55 HG12 VAL 55 5.596 7.991 -14.424 419 HG13 VAL 55 HG13 VAL 55 4.057 8.444 -15.161 420 HG21 VAL 55 HG21 VAL 55 3.831 10.253 -13.211 421 HG22 VAL 55 HG22 VAL 55 5.361 9.660 -12.560 422 HG23 VAL 55 HG23 VAL 55 3.919 9.678 -11.542 423 H ASP 56 H ASP 56 1.210 6.721 -14.970 424 HA ASP 56 HA ASP 56 1.421 3.971 -13.941 425 HB2 ASP 56 HB2 ASP 56 -0.805 4.805 -14.728 426 HB3 ASP 56 HB3 ASP 56 -0.143 5.009 -16.347 427 H LEU 57 H LEU 57 3.318 3.033 -14.447 428 HA LEU 57 HA LEU 57 4.786 3.472 -16.875 429 HB2 LEU 57 HB2 LEU 57 5.113 1.286 -14.787 430 HB3 LEU 57 HB3 LEU 57 6.290 1.724 -16.023 431 HG LEU 57 HG LEU 57 5.419 3.474 -13.686 432 HD11 LEU 57 HD11 LEU 57 8.044 2.035 -14.177 433 HD12 LEU 57 HD12 LEU 57 6.821 1.622 -12.972 434 HD13 LEU 57 HD13 LEU 57 7.699 3.144 -12.842 435 HD21 LEU 57 HD21 LEU 57 5.923 4.895 -15.605 436 HD22 LEU 57 HD22 LEU 57 7.459 4.063 -15.868 437 HD23 LEU 57 HD23 LEU 57 7.213 5.029 -14.411 438 H THR 58 H THR 58 2.225 1.200 -15.985 439 HA THR 58 HA THR 58 3.243 -0.971 -17.668 440 HB THR 58 HB THR 58 2.343 -1.549 -15.481 441 HG1 THR 58 HG1 THR 58 0.715 -2.584 -17.561 442 HG21 THR 58 HG21 THR 58 -0.360 -0.585 -16.438 443 HG22 THR 58 HG22 THR 58 0.631 0.190 -15.199 444 HG23 THR 58 HG23 THR 58 -0.031 -1.421 -14.918 445 H THR 59 H THR 59 1.761 1.728 -18.605 446 HA THR 59 HA THR 59 -0.154 0.698 -20.514 447 HB THR 59 HB THR 59 0.318 3.085 -21.567 448 HG1 THR 59 HG1 THR 59 1.261 3.721 -18.982 449 HG21 THR 59 HG21 THR 59 -1.155 4.200 -19.941 450 HG22 THR 59 HG22 THR 59 -0.899 2.888 -18.790 451 HG23 THR 59 HG23 THR 59 -1.744 2.577 -20.308 452 H MET 60 H MET 60 1.298 -1.063 -21.216 453 HA MET 60 HA MET 60 3.426 -0.273 -23.129 454 HB2 MET 60 HB2 MET 60 3.477 -2.591 -21.137 455 HB3 MET 60 HB3 MET 60 4.697 -2.307 -22.373 456 HG2 MET 60 HG2 MET 60 5.297 -0.181 -21.281 457 HG3 MET 60 HG3 MET 60 4.076 -0.475 -20.039 458 HE1 MET 60 HE1 MET 60 7.158 0.158 -19.375 459 HE2 MET 60 HE2 MET 60 7.524 -1.050 -18.146 460 HE3 MET 60 HE3 MET 60 5.992 -0.182 -18.088 461 H THR 61 H THR 61 3.185 -1.137 -25.110 462 HA THR 61 HA THR 61 0.972 -2.778 -25.833 463 HB THR 61 HB THR 61 2.109 -2.819 -28.120 464 HG1 THR 61 HG1 THR 61 4.270 -2.618 -27.442 465 HG21 THR 61 HG21 THR 61 1.811 -0.405 -28.584 466 HG22 THR 61 HG22 THR 61 1.778 -0.075 -26.851 467 HG23 THR 61 HG23 THR 61 0.492 -1.032 -27.589 468 H ALA 62 H ALA 62 0.815 -4.929 -25.620 469 HA ALA 62 HA ALA 62 3.139 -6.702 -25.926 470 HB1 ALA 62 HB1 ALA 62 2.626 -7.885 -23.819 471 HB2 ALA 62 HB2 ALA 62 1.358 -6.709 -23.457 472 HB3 ALA 62 HB3 ALA 62 3.047 -6.199 -23.516 473 H MET 1 H MET 1 8.758 14.825 -7.669 474 HA MET 1 HA MET 1 10.595 15.377 -5.413 475 HB2 MET 1 HB2 MET 1 8.546 16.878 -5.620 476 HB3 MET 1 HB3 MET 1 7.538 15.447 -5.451 477 HG2 MET 1 HG2 MET 1 8.527 15.074 -3.194 478 HG3 MET 1 HG3 MET 1 9.441 16.576 -3.376 479 HE1 MET 1 HE1 MET 1 8.456 17.767 -1.224 480 HE2 MET 1 HE2 MET 1 7.676 16.229 -0.846 481 HE3 MET 1 HE3 MET 1 6.743 17.723 -0.802 482 H TYR 2 H TYR 2 7.508 13.635 -5.606 483 HA TYR 2 HA TYR 2 8.587 11.046 -6.031 484 HB2 TYR 2 HB2 TYR 2 7.621 10.090 -3.816 485 HB3 TYR 2 HB3 TYR 2 9.204 10.844 -3.794 486 HD1 TYR 2 HD1 TYR 2 5.603 11.509 -2.960 487 HD2 TYR 2 HD2 TYR 2 9.666 12.588 -2.285 488 HE1 TYR 2 HE1 TYR 2 4.918 12.903 -1.054 489 HE2 TYR 2 HE2 TYR 2 8.995 13.969 -0.390 490 HH TYR 2 HH TYR 2 6.907 15.179 0.352 491 H LYS 3 H LYS 3 6.810 9.372 -5.998 492 HA LYS 3 HA LYS 3 4.120 10.187 -6.313 493 HB2 LYS 3 HB2 LYS 3 4.139 9.684 -8.934 494 HB3 LYS 3 HB3 LYS 3 4.438 11.292 -8.318 495 HG2 LYS 3 HG2 LYS 3 5.918 10.753 -10.168 496 HG3 LYS 3 HG3 LYS 3 6.831 11.044 -8.691 497 HD2 LYS 3 HD2 LYS 3 7.260 8.672 -8.413 498 HD3 LYS 3 HD3 LYS 3 6.170 8.269 -9.748 499 HE2 LYS 3 HE2 LYS 3 7.641 9.248 -11.354 500 HE3 LYS 3 HE3 LYS 3 8.640 9.994 -10.104 501 HZ1 LYS 3 HZ1 LYS 3 9.200 7.685 -9.409 502 HZ2 LYS 3 HZ2 LYS 3 9.789 8.149 -10.924 503 HZ3 LYS 3 HZ3 LYS 3 8.434 7.149 -10.820 504 H PHE 4 H PHE 4 2.935 8.474 -7.822 505 HA PHE 4 HA PHE 4 3.642 5.813 -6.784 506 HB2 PHE 4 HB2 PHE 4 1.028 6.997 -7.810 507 HB3 PHE 4 HB3 PHE 4 1.230 5.277 -7.483 508 HD1 PHE 4 HD1 PHE 4 1.567 4.460 -5.195 509 HD2 PHE 4 HD2 PHE 4 0.796 8.621 -5.938 510 HE1 PHE 4 HE1 PHE 4 1.023 4.789 -2.824 511 HE2 PHE 4 HE2 PHE 4 0.276 8.924 -3.556 512 HZ PHE 4 HZ PHE 4 0.382 7.013 -2.006 513 H GLU 5 H GLU 5 4.756 4.621 -8.175 514 HA GLU 5 HA GLU 5 4.440 4.936 -11.091 515 HB2 GLU 5 HB2 GLU 5 6.459 3.231 -9.570 516 HB3 GLU 5 HB3 GLU 5 6.440 3.525 -11.302 517 HG2 GLU 5 HG2 GLU 5 6.805 5.972 -10.780 518 HG3 GLU 5 HG3 GLU 5 7.064 5.494 -9.099 519 H ILE 6 H ILE 6 2.920 3.611 -12.020 520 HA ILE 6 HA ILE 6 1.957 1.228 -10.582 521 HB ILE 6 HB ILE 6 0.635 2.595 -12.968 522 HG12 ILE 6 HG12 ILE 6 -0.129 3.025 -10.050 523 HG13 ILE 6 HG13 ILE 6 0.898 4.140 -10.947 524 HG21 ILE 6 HG21 ILE 6 -0.492 0.652 -10.900 525 HG22 ILE 6 HG22 ILE 6 -0.059 0.247 -12.563 526 HG23 ILE 6 HG23 ILE 6 -1.391 1.364 -12.245 527 HD11 ILE 6 HD11 ILE 6 -1.400 4.897 -10.866 528 HD12 ILE 6 HD12 ILE 6 -1.943 3.412 -11.638 529 HD13 ILE 6 HD13 ILE 6 -0.917 4.546 -12.524 530 H TYR 7 H TYR 7 2.775 -0.602 -11.307 531 HA TYR 7 HA TYR 7 3.238 -1.028 -14.186 532 HB2 TYR 7 HB2 TYR 7 5.383 -2.154 -13.707 533 HB3 TYR 7 HB3 TYR 7 5.438 -0.475 -13.179 534 HD1 TYR 7 HD1 TYR 7 5.328 0.085 -10.731 535 HD2 TYR 7 HD2 TYR 7 5.521 -3.981 -12.058 536 HE1 TYR 7 HE1 TYR 7 5.852 -0.640 -8.440 537 HE2 TYR 7 HE2 TYR 7 6.054 -4.694 -9.773 538 HH TYR 7 HH TYR 7 5.665 -2.705 -7.079 539 H GLN 8 H GLN 8 3.423 -3.406 -14.639 540 HA GLN 8 HA GLN 8 2.025 -5.072 -12.622 541 HB2 GLN 8 HB2 GLN 8 0.971 -6.360 -14.254 542 HB3 GLN 8 HB3 GLN 8 0.916 -4.760 -14.979 543 HG2 GLN 8 HG2 GLN 8 3.032 -5.454 -16.258 544 HG3 GLN 8 HG3 GLN 8 2.698 -7.089 -15.714 545 HE21 GLN 8 HE21 GLN 8 0.758 -8.112 -16.446 546 HE22 GLN 8 HE22 GLN 8 -0.045 -7.591 -17.881 547 H ASP 9 H ASP 9 2.997 -6.960 -12.048 548 HA ASP 9 HA ASP 9 5.838 -7.199 -12.371 549 HB2 ASP 9 HB2 ASP 9 4.717 -7.592 -10.185 550 HB3 ASP 9 HB3 ASP 9 3.782 -8.905 -10.880 551 H LYS 10 H LYS 10 6.816 -9.320 -13.010 552 HA LYS 10 HA LYS 10 6.215 -10.224 -15.524 553 HB2 LYS 10 HB2 LYS 10 7.726 -12.174 -15.038 554 HB3 LYS 10 HB3 LYS 10 8.395 -10.606 -14.630 555 HG2 LYS 10 HG2 LYS 10 9.084 -11.912 -12.831 556 HG3 LYS 10 HG3 LYS 10 7.636 -11.138 -12.194 557 HD2 LYS 10 HD2 LYS 10 7.689 -13.502 -11.550 558 HD3 LYS 10 HD3 LYS 10 6.337 -13.200 -12.639 559 HE2 LYS 10 HE2 LYS 10 7.659 -14.134 -14.527 560 HE3 LYS 10 HE3 LYS 10 8.989 -14.476 -13.415 561 HZ1 LYS 10 HZ1 LYS 10 6.251 -15.633 -13.282 562 HZ2 LYS 10 HZ2 LYS 10 7.510 -15.972 -12.201 563 HZ3 LYS 10 HZ3 LYS 10 7.637 -16.433 -13.825 564 H ALA 11 H ALA 11 4.904 -11.349 -12.530 565 HA ALA 11 HA ALA 11 3.495 -13.681 -13.496 566 HB1 ALA 11 HB1 ALA 11 3.103 -12.078 -10.936 567 HB2 ALA 11 HB2 ALA 11 4.203 -13.442 -11.143 568 HB3 ALA 11 HB3 ALA 11 2.462 -13.695 -11.257 569 H GLY 12 H GLY 12 2.977 -10.705 -14.532 570 HA2 GLY 12 HA2 GLY 12 1.283 -9.502 -15.448 571 HA3 GLY 12 HA3 GLY 12 0.243 -10.886 -15.207 572 H GLU 13 H GLU 13 1.959 -9.375 -12.560 573 HA GLU 13 HA GLU 13 -0.646 -8.995 -11.209 574 HB2 GLU 13 HB2 GLU 13 2.188 -9.187 -10.141 575 HB3 GLU 13 HB3 GLU 13 0.826 -8.709 -9.135 576 HG2 GLU 13 HG2 GLU 13 -0.251 -10.933 -9.705 577 HG3 GLU 13 HG3 GLU 13 1.273 -11.385 -10.479 578 H TYR 14 H TYR 14 -1.330 -7.038 -12.042 579 HA TYR 14 HA TYR 14 0.012 -4.617 -12.060 580 HB2 TYR 14 HB2 TYR 14 -2.942 -5.241 -11.669 581 HB3 TYR 14 HB3 TYR 14 -2.343 -3.581 -11.744 582 HD1 TYR 14 HD1 TYR 14 -2.550 -6.766 -13.679 583 HD2 TYR 14 HD2 TYR 14 -1.737 -2.576 -13.846 584 HE1 TYR 14 HE1 TYR 14 -2.445 -6.877 -16.127 585 HE2 TYR 14 HE2 TYR 14 -1.615 -2.697 -16.293 586 HH TYR 14 HH TYR 14 -1.074 -4.595 -18.016 587 H ARG 15 H ARG 15 0.545 -3.215 -10.666 588 HA ARG 15 HA ARG 15 0.005 -3.199 -7.830 589 HB2 ARG 15 HB2 ARG 15 2.816 -3.825 -8.832 590 HB3 ARG 15 HB3 ARG 15 2.385 -3.518 -7.155 591 HG2 ARG 15 HG2 ARG 15 1.321 -5.626 -6.924 592 HG3 ARG 15 HG3 ARG 15 1.249 -5.882 -8.672 593 HD2 ARG 15 HD2 ARG 15 3.659 -6.112 -8.804 594 HD3 ARG 15 HD3 ARG 15 3.826 -5.678 -7.111 595 HE ARG 15 HE ARG 15 2.203 -8.003 -7.415 596 HH11 ARG 15 HH11 ARG 15 5.573 -7.011 -7.441 597 HH12 ARG 15 HH12 ARG 15 6.165 -8.606 -7.114 598 HH21 ARG 15 HH21 ARG 15 3.027 -10.107 -6.974 599 HH22 ARG 15 HH22 ARG 15 4.742 -10.340 -6.866 600 H PHE 16 H PHE 16 1.350 -1.461 -6.771 601 HA PHE 16 HA PHE 16 2.579 0.504 -8.531 602 HB2 PHE 16 HB2 PHE 16 1.311 2.402 -7.486 603 HB3 PHE 16 HB3 PHE 16 0.313 1.359 -8.483 604 HD1 PHE 16 HD1 PHE 16 -1.468 -0.016 -7.477 605 HD2 PHE 16 HD2 PHE 16 0.966 2.518 -5.036 606 HE1 PHE 16 HE1 PHE 16 -3.080 -0.226 -5.637 607 HE2 PHE 16 HE2 PHE 16 -0.653 2.295 -3.199 608 HZ PHE 16 HZ PHE 16 -2.675 0.924 -3.494 609 H ARG 17 H ARG 17 4.248 1.520 -7.596 610 HA ARG 17 HA ARG 17 4.830 1.015 -4.736 611 HB2 ARG 17 HB2 ARG 17 7.168 1.312 -5.263 612 HB3 ARG 17 HB3 ARG 17 6.518 0.200 -6.464 613 HG2 ARG 17 HG2 ARG 17 6.402 2.008 -8.115 614 HG3 ARG 17 HG3 ARG 17 6.968 3.168 -6.914 615 HD2 ARG 17 HD2 ARG 17 8.846 2.635 -8.266 616 HD3 ARG 17 HD3 ARG 17 9.087 1.802 -6.732 617 HE ARG 17 HE ARG 17 8.369 -0.261 -7.837 618 HH11 ARG 17 HH11 ARG 17 9.283 2.363 -9.980 619 HH12 ARG 17 HH12 ARG 17 9.803 1.289 -11.249 620 HH21 ARG 17 HH21 ARG 17 9.041 -1.646 -9.507 621 HH22 ARG 17 HH22 ARG 17 9.666 -0.973 -10.982 622 H PHE 18 H PHE 18 5.925 2.860 -3.639 623 HA PHE 18 HA PHE 18 5.309 5.534 -4.793 624 HB2 PHE 18 HB2 PHE 18 3.694 5.001 -2.956 625 HB3 PHE 18 HB3 PHE 18 5.043 4.734 -1.865 626 HD1 PHE 18 HD1 PHE 18 4.307 7.484 -4.320 627 HD2 PHE 18 HD2 PHE 18 4.943 6.395 -0.242 628 HE1 PHE 18 HE1 PHE 18 4.146 9.836 -3.657 629 HE2 PHE 18 HE2 PHE 18 4.747 8.744 0.419 630 HZ PHE 18 HZ PHE 18 4.372 10.469 -1.293 631 H LYS 19 H LYS 19 6.856 7.053 -4.497 632 HA LYS 19 HA LYS 19 9.536 6.050 -3.804 633 HB2 LYS 19 HB2 LYS 19 8.689 8.500 -5.428 634 HB3 LYS 19 HB3 LYS 19 10.343 7.910 -5.240 635 HG2 LYS 19 HG2 LYS 19 8.074 6.385 -6.587 636 HG3 LYS 19 HG3 LYS 19 9.342 7.273 -7.436 637 HD2 LYS 19 HD2 LYS 19 9.842 4.915 -5.566 638 HD3 LYS 19 HD3 LYS 19 9.719 4.777 -7.317 639 HE2 LYS 19 HE2 LYS 19 11.671 6.336 -7.521 640 HE3 LYS 19 HE3 LYS 19 11.824 6.328 -5.765 641 HZ1 LYS 19 HZ1 LYS 19 12.061 3.956 -7.535 642 HZ2 LYS 19 HZ2 LYS 19 12.238 3.952 -5.856 643 HZ3 LYS 19 HZ3 LYS 19 13.348 4.789 -6.824 644 H ALA 20 H ALA 20 10.974 8.085 -3.260 645 HA ALA 20 HA ALA 20 9.794 9.814 -1.194 646 HB1 ALA 20 HB1 ALA 20 10.833 7.918 0.018 647 HB2 ALA 20 HB2 ALA 20 11.739 9.405 0.303 648 HB3 ALA 20 HB3 ALA 20 12.357 8.197 -0.828 649 H SER 21 H SER 21 11.176 11.716 -0.791 650 HA SER 21 HA SER 21 11.865 13.107 -3.062 651 HB2 SER 21 HB2 SER 21 12.844 14.808 -1.537 652 HB3 SER 21 HB3 SER 21 11.313 14.179 -0.932 653 HG SER 21 HG SER 21 13.158 14.375 0.593 654 H ASN 22 H ASN 22 13.970 11.032 -1.176 655 HA ASN 22 HA ASN 22 16.416 11.866 -2.544 656 HB2 ASN 22 HB2 ASN 22 17.527 10.229 -1.053 657 HB3 ASN 22 HB3 ASN 22 16.504 11.340 -0.148 658 HD21 ASN 22 HD21 ASN 22 17.021 8.077 -1.086 659 HD22 ASN 22 HD22 ASN 22 15.768 7.388 -0.127 660 H GLY 23 H GLY 23 14.005 10.435 -3.856 661 HA2 GLY 23 HA2 GLY 23 13.671 9.160 -5.711 662 HA3 GLY 23 HA3 GLY 23 15.403 9.238 -5.962 663 H GLU 24 H GLU 24 13.356 7.705 -3.478 664 HA GLU 24 HA GLU 24 14.418 5.052 -4.188 665 HB2 GLU 24 HB2 GLU 24 14.686 6.389 -1.460 666 HB3 GLU 24 HB3 GLU 24 14.744 4.636 -1.640 667 HG2 GLU 24 HG2 GLU 24 16.651 6.596 -2.976 668 HG3 GLU 24 HG3 GLU 24 16.992 5.682 -1.509 669 H THR 25 H THR 25 13.005 3.410 -3.847 670 HA THR 25 HA THR 25 10.233 4.039 -3.317 671 HB THR 25 HB THR 25 11.618 1.402 -3.954 672 HG1 THR 25 HG1 THR 25 10.918 1.777 -6.022 673 HG21 THR 25 HG21 THR 25 9.388 0.525 -4.535 674 HG22 THR 25 HG22 THR 25 8.646 2.029 -3.981 675 HG23 THR 25 HG23 THR 25 9.453 0.964 -2.828 676 H MET 26 H MET 26 9.042 3.347 -1.634 677 HA MET 26 HA MET 26 10.433 2.323 0.780 678 HB2 MET 26 HB2 MET 26 8.642 3.816 2.019 679 HB3 MET 26 HB3 MET 26 10.116 4.533 1.390 680 HG2 MET 26 HG2 MET 26 8.178 5.933 0.932 681 HG3 MET 26 HG3 MET 26 8.894 5.360 -0.572 682 HE1 MET 26 HE1 MET 26 5.999 5.203 1.890 683 HE2 MET 26 HE2 MET 26 6.497 3.513 1.964 684 HE3 MET 26 HE3 MET 26 4.954 3.945 1.239 685 H PHE 27 H PHE 27 7.536 2.075 -1.240 686 HA PHE 27 HA PHE 27 7.223 -0.576 -0.091 687 HB2 PHE 27 HB2 PHE 27 5.038 -0.503 0.692 688 HB3 PHE 27 HB3 PHE 27 5.564 1.105 1.139 689 HD1 PHE 27 HD1 PHE 27 4.741 3.057 -0.219 690 HD2 PHE 27 HD2 PHE 27 3.202 -0.834 -0.877 691 HE1 PHE 27 HE1 PHE 27 2.851 4.050 -1.347 692 HE2 PHE 27 HE2 PHE 27 1.283 0.156 -2.055 693 HZ PHE 27 HZ PHE 27 1.093 2.597 -2.302 694 H SER 28 H SER 28 5.953 -1.944 -1.279 695 HA SER 28 HA SER 28 4.966 -1.120 -3.943 696 HB2 SER 28 HB2 SER 28 7.023 -2.447 -4.353 697 HB3 SER 28 HB3 SER 28 6.392 -3.760 -3.354 698 HG SER 28 HG SER 28 4.986 -4.286 -4.893 699 H SER 29 H SER 29 2.965 -2.106 -4.474 700 HA SER 29 HA SER 29 1.524 -3.149 -2.110 701 HB2 SER 29 HB2 SER 29 -0.506 -2.264 -3.225 702 HB3 SER 29 HB3 SER 29 0.693 -0.989 -3.014 703 HG SER 29 HG SER 29 0.714 -0.747 -5.077 704 H GLU 30 H GLU 30 -0.424 -4.489 -2.795 705 HA GLU 30 HA GLU 30 0.274 -6.654 -4.592 706 HB2 GLU 30 HB2 GLU 30 -2.305 -6.092 -3.066 707 HB3 GLU 30 HB3 GLU 30 -1.868 -7.614 -3.841 708 HG2 GLU 30 HG2 GLU 30 0.091 -7.768 -2.281 709 HG3 GLU 30 HG3 GLU 30 -0.508 -6.336 -1.452 710 H GLY 31 H GLY 31 -1.142 -3.589 -4.942 711 HA2 GLY 31 HA2 GLY 31 -2.108 -2.479 -6.679 712 HA3 GLY 31 HA3 GLY 31 -1.873 -3.901 -7.664 713 H TYR 32 H TYR 32 -3.597 -5.050 -5.206 714 HA TYR 32 HA TYR 32 -5.680 -5.132 -4.370 715 HB2 TYR 32 HB2 TYR 32 -5.833 -2.627 -4.973 716 HB3 TYR 32 HB3 TYR 32 -6.671 -3.130 -6.433 717 HD1 TYR 32 HD1 TYR 32 -6.965 -4.425 -2.931 718 HD2 TYR 32 HD2 TYR 32 -8.898 -2.338 -6.124 719 HE1 TYR 32 HE1 TYR 32 -9.036 -4.362 -1.633 720 HE2 TYR 32 HE2 TYR 32 -10.981 -2.275 -4.809 721 HH TYR 32 HH TYR 32 -11.077 -3.014 -1.495 722 H LYS 33 H LYS 33 -5.738 -4.895 -7.958 723 HA LYS 33 HA LYS 33 -6.540 -7.627 -8.306 724 HB2 LYS 33 HB2 LYS 33 -8.741 -6.821 -7.643 725 HB3 LYS 33 HB3 LYS 33 -8.635 -5.444 -8.723 726 HG2 LYS 33 HG2 LYS 33 -10.185 -7.121 -9.581 727 HG3 LYS 33 HG3 LYS 33 -8.816 -6.914 -10.678 728 HD2 LYS 33 HD2 LYS 33 -7.786 -8.980 -9.760 729 HD3 LYS 33 HD3 LYS 33 -9.165 -9.185 -8.675 730 HE2 LYS 33 HE2 LYS 33 -10.666 -9.498 -10.581 731 HE3 LYS 33 HE3 LYS 33 -9.353 -9.154 -11.709 732 HZ1 LYS 33 HZ1 LYS 33 -9.507 -11.465 -9.857 733 HZ2 LYS 33 HZ2 LYS 33 -8.213 -11.130 -10.892 734 HZ3 LYS 33 HZ3 LYS 33 -9.730 -11.503 -11.534 735 H ALA 34 H ALA 34 -6.706 -4.426 -9.907 736 HA ALA 34 HA ALA 34 -5.379 -5.435 -12.322 737 HB1 ALA 34 HB1 ALA 34 -7.774 -5.971 -12.670 738 HB2 ALA 34 HB2 ALA 34 -7.237 -4.714 -13.783 739 HB3 ALA 34 HB3 ALA 34 -8.205 -4.284 -12.368 740 H LYS 35 H LYS 35 -5.706 -3.243 -14.019 741 HA LYS 35 HA LYS 35 -4.119 -1.226 -12.861 742 HB2 LYS 35 HB2 LYS 35 -4.224 -1.875 -15.278 743 HB3 LYS 35 HB3 LYS 35 -5.848 -1.214 -15.370 744 HG2 LYS 35 HG2 LYS 35 -4.690 1.032 -14.635 745 HG3 LYS 35 HG3 LYS 35 -3.204 0.227 -15.156 746 HD2 LYS 35 HD2 LYS 35 -4.534 -0.257 -17.364 747 HD3 LYS 35 HD3 LYS 35 -5.626 1.007 -16.794 748 HE2 LYS 35 HE2 LYS 35 -3.983 1.943 -18.335 749 HE3 LYS 35 HE3 LYS 35 -3.697 2.574 -16.708 750 HZ1 LYS 35 HZ1 LYS 35 -1.671 1.877 -17.845 751 HZ2 LYS 35 HZ2 LYS 35 -2.250 0.290 -17.897 752 HZ3 LYS 35 HZ3 LYS 35 -1.925 1.036 -16.413 753 H ALA 36 H ALA 36 -7.565 -1.302 -13.829 754 HA ALA 36 HA ALA 36 -8.361 1.253 -13.055 755 HB1 ALA 36 HB1 ALA 36 -10.661 0.342 -13.030 756 HB2 ALA 36 HB2 ALA 36 -10.011 -1.301 -13.040 757 HB3 ALA 36 HB3 ALA 36 -9.750 -0.238 -14.425 758 H SER 37 H SER 37 -8.134 -1.726 -11.162 759 HA SER 37 HA SER 37 -9.216 -0.715 -8.713 760 HB2 SER 37 HB2 SER 37 -7.366 -3.100 -9.083 761 HB3 SER 37 HB3 SER 37 -8.530 -2.833 -7.785 762 HG SER 37 HG SER 37 -10.192 -3.032 -9.316 763 H ALA 38 H ALA 38 -6.037 -0.844 -10.187 764 HA ALA 38 HA ALA 38 -4.429 -0.329 -7.911 765 HB1 ALA 38 HB1 ALA 38 -2.635 0.198 -9.535 766 HB2 ALA 38 HB2 ALA 38 -3.821 0.213 -10.851 767 HB3 ALA 38 HB3 ALA 38 -3.484 -1.284 -9.978 768 H ILE 39 H ILE 39 -5.454 1.901 -10.600 769 HA ILE 39 HA ILE 39 -4.672 4.293 -9.448 770 HB ILE 39 HB ILE 39 -6.885 3.701 -11.460 771 HG12 ILE 39 HG12 ILE 39 -5.315 5.040 -13.001 772 HG13 ILE 39 HG13 ILE 39 -4.133 5.011 -11.702 773 HG21 ILE 39 HG21 ILE 39 -7.111 6.140 -11.889 774 HG22 ILE 39 HG22 ILE 39 -6.075 6.470 -10.499 775 HG23 ILE 39 HG23 ILE 39 -7.646 5.701 -10.266 776 HD11 ILE 39 HD11 ILE 39 -5.224 2.628 -13.185 777 HD12 ILE 39 HD12 ILE 39 -4.040 2.569 -11.875 778 HD13 ILE 39 HD13 ILE 39 -3.640 3.375 -13.392 779 H HIS 40 H HIS 40 -7.850 2.633 -9.163 780 HA HIS 40 HA HIS 40 -9.193 4.526 -7.592 781 HB2 HIS 40 HB2 HIS 40 -9.579 1.594 -8.099 782 HB3 HIS 40 HB3 HIS 40 -10.407 2.251 -6.695 783 HD1 HIS 40 HD1 HIS 40 -12.678 3.050 -7.164 784 HD2 HIS 40 HD2 HIS 40 -10.266 3.298 -10.533 785 HE1 HIS 40 HE1 HIS 40 -14.176 3.861 -9.002 786 HE2 HIS 40 HE2 HIS 40 -12.749 3.771 -11.069 787 H ALA 41 H ALA 41 -7.066 1.870 -6.573 788 HA ALA 41 HA ALA 41 -7.274 2.193 -3.803 789 HB1 ALA 41 HB1 ALA 41 -5.138 0.973 -3.701 790 HB2 ALA 41 HB2 ALA 41 -4.881 1.243 -5.429 791 HB3 ALA 41 HB3 ALA 41 -6.219 0.230 -4.883 792 H ILE 42 H ILE 42 -4.908 3.543 -6.123 793 HA ILE 42 HA ILE 42 -3.500 5.176 -4.340 794 HB ILE 42 HB ILE 42 -3.952 5.580 -7.319 795 HG12 ILE 42 HG12 ILE 42 -1.567 4.288 -5.911 796 HG13 ILE 42 HG13 ILE 42 -2.919 3.366 -6.558 797 HG21 ILE 42 HG21 ILE 42 -3.144 7.661 -6.292 798 HG22 ILE 42 HG22 ILE 42 -1.879 6.942 -7.287 799 HG23 ILE 42 HG23 ILE 42 -1.809 6.795 -5.529 800 HD11 ILE 42 HD11 ILE 42 -1.028 3.367 -8.052 801 HD12 ILE 42 HD12 ILE 42 -1.087 5.125 -8.165 802 HD13 ILE 42 HD13 ILE 42 -2.426 4.149 -8.784 803 H GLU 43 H GLU 43 -6.608 5.650 -5.861 804 HA GLU 43 HA GLU 43 -6.837 8.460 -5.624 805 HB2 GLU 43 HB2 GLU 43 -8.974 6.309 -5.767 806 HB3 GLU 43 HB3 GLU 43 -9.363 8.027 -5.694 807 HG2 GLU 43 HG2 GLU 43 -8.141 8.395 -7.800 808 HG3 GLU 43 HG3 GLU 43 -7.729 6.685 -7.870 809 H SER 44 H SER 44 -7.652 5.764 -3.418 810 HA SER 44 HA SER 44 -8.711 7.188 -1.259 811 HB2 SER 44 HB2 SER 44 -7.048 4.674 -1.419 812 HB3 SER 44 HB3 SER 44 -7.480 5.325 0.159 813 HG SER 44 HG SER 44 -9.597 4.960 -0.274 814 H ILE 45 H ILE 45 -5.335 6.837 -2.251 815 HA ILE 45 HA ILE 45 -4.223 7.788 0.191 816 HB ILE 45 HB ILE 45 -2.615 8.050 -2.389 817 HG12 ILE 45 HG12 ILE 45 -3.767 5.771 -2.511 818 HG13 ILE 45 HG13 ILE 45 -2.013 5.696 -2.440 819 HG21 ILE 45 HG21 ILE 45 -0.804 7.306 -0.858 820 HG22 ILE 45 HG22 ILE 45 -1.997 7.142 0.447 821 HG23 ILE 45 HG23 ILE 45 -1.648 8.734 -0.250 822 HD11 ILE 45 HD11 ILE 45 -3.926 5.155 -0.182 823 HD12 ILE 45 HD12 ILE 45 -2.164 5.111 -0.062 824 HD13 ILE 45 HD13 ILE 45 -3.004 3.968 -1.105 825 H LYS 46 H LYS 46 -5.066 9.234 -2.935 826 HA LYS 46 HA LYS 46 -3.947 11.754 -2.627 827 HB2 LYS 46 HB2 LYS 46 -6.484 11.293 -4.227 828 HB3 LYS 46 HB3 LYS 46 -5.185 12.437 -4.535 829 HG2 LYS 46 HG2 LYS 46 -5.291 9.480 -5.108 830 HG3 LYS 46 HG3 LYS 46 -4.948 10.815 -6.205 831 HD2 LYS 46 HD2 LYS 46 -3.107 9.705 -4.045 832 HD3 LYS 46 HD3 LYS 46 -2.927 9.504 -5.788 833 HE2 LYS 46 HE2 LYS 46 -2.736 12.126 -4.294 834 HE3 LYS 46 HE3 LYS 46 -1.402 11.178 -4.884 835 HZ1 LYS 46 HZ1 LYS 46 -3.502 12.466 -6.518 836 HZ2 LYS 46 HZ2 LYS 46 -2.299 11.453 -7.134 837 HZ3 LYS 46 HZ3 LYS 46 -1.875 12.921 -6.417 838 H ARG 47 H ARG 47 -6.700 10.475 -1.160 839 HA ARG 47 HA ARG 47 -8.337 12.825 -0.994 840 HB2 ARG 47 HB2 ARG 47 -8.539 10.351 0.764 841 HB3 ARG 47 HB3 ARG 47 -9.800 11.539 0.465 842 HG2 ARG 47 HG2 ARG 47 -8.668 9.537 -1.501 843 HG3 ARG 47 HG3 ARG 47 -10.269 9.511 -0.766 844 HD2 ARG 47 HD2 ARG 47 -10.924 11.498 -2.012 845 HD3 ARG 47 HD3 ARG 47 -9.286 11.687 -2.651 846 HE ARG 47 HE ARG 47 -10.002 9.186 -3.465 847 HH11 ARG 47 HH11 ARG 47 -11.487 12.331 -3.890 848 HH12 ARG 47 HH12 ARG 47 -12.181 11.924 -5.423 849 HH21 ARG 47 HH21 ARG 47 -10.908 8.679 -5.496 850 HH22 ARG 47 HH22 ARG 47 -11.849 9.870 -6.334 851 H ASN 48 H ASN 48 -6.513 11.071 1.553 852 HA ASN 48 HA ASN 48 -5.845 13.431 3.054 853 HB2 ASN 48 HB2 ASN 48 -8.335 13.217 3.517 854 HB3 ASN 48 HB3 ASN 48 -8.013 11.679 4.298 855 HD21 ASN 48 HD21 ASN 48 -7.541 15.154 4.501 856 HD22 ASN 48 HD22 ASN 48 -7.216 15.218 6.197 857 H SER 49 H SER 49 -4.736 10.756 2.055 858 HA SER 49 HA SER 49 -4.199 9.076 4.290 859 HB2 SER 49 HB2 SER 49 -4.081 8.333 1.942 860 HB3 SER 49 HB3 SER 49 -2.631 9.306 1.712 861 HG SER 49 HG SER 49 -3.010 6.962 3.199 862 H ALA 50 H ALA 50 -2.417 11.810 2.886 863 HA ALA 50 HA ALA 50 -0.113 11.685 4.484 864 HB1 ALA 50 HB1 ALA 50 0.221 14.043 3.891 865 HB2 ALA 50 HB2 ALA 50 -1.450 14.148 3.327 866 HB3 ALA 50 HB3 ALA 50 -0.301 13.102 2.489 867 H GLY 51 H GLY 51 -3.349 12.694 5.271 868 HA2 GLY 51 HA2 GLY 51 -2.532 13.617 7.962 869 HA3 GLY 51 HA3 GLY 51 -4.092 13.883 7.203 870 H ALA 52 H ALA 52 -3.637 10.776 6.466 871 HA ALA 52 HA ALA 52 -5.529 9.749 8.283 872 HB1 ALA 52 HB1 ALA 52 -5.019 7.547 7.288 873 HB2 ALA 52 HB2 ALA 52 -3.570 8.222 6.520 874 HB3 ALA 52 HB3 ALA 52 -5.176 8.789 6.043 875 H ASP 53 H ASP 53 -5.300 8.186 9.990 876 HA ASP 53 HA ASP 53 -2.981 8.559 11.655 877 HB2 ASP 53 HB2 ASP 53 -5.265 8.389 12.598 878 HB3 ASP 53 HB3 ASP 53 -5.392 6.733 12.019 879 H THR 54 H THR 54 -1.609 6.876 12.444 880 HA THR 54 HA THR 54 -1.344 4.481 10.711 881 HB THR 54 HB THR 54 0.833 5.997 12.213 882 HG1 THR 54 HG1 THR 54 -0.288 6.258 9.688 883 HG21 THR 54 HG21 THR 54 1.056 3.715 10.217 884 HG22 THR 54 HG22 THR 54 1.480 3.644 11.930 885 HG23 THR 54 HG23 THR 54 2.417 4.661 10.823 886 H VAL 55 H VAL 55 -2.434 2.991 11.829 887 HA VAL 55 HA VAL 55 -2.044 2.543 14.721 888 HB VAL 55 HB VAL 55 -4.062 1.305 12.778 889 HG11 VAL 55 HG11 VAL 55 -3.938 1.077 15.808 890 HG12 VAL 55 HG12 VAL 55 -3.614 -0.215 14.651 891 HG13 VAL 55 HG13 VAL 55 -5.238 0.460 14.785 892 HG21 VAL 55 HG21 VAL 55 -5.755 2.733 13.856 893 HG22 VAL 55 HG22 VAL 55 -4.486 3.701 13.103 894 HG23 VAL 55 HG23 VAL 55 -4.502 3.478 14.855 895 H ASP 56 H ASP 56 -0.641 0.969 15.314 896 HA ASP 56 HA ASP 56 0.153 -1.158 13.435 897 HB2 ASP 56 HB2 ASP 56 1.920 0.194 14.594 898 HB3 ASP 56 HB3 ASP 56 1.366 -0.441 16.137 899 H LEU 57 H LEU 57 -1.210 -2.838 13.484 900 HA LEU 57 HA LEU 57 -2.550 -3.847 15.809 901 HB2 LEU 57 HB2 LEU 57 -2.196 -4.884 12.976 902 HB3 LEU 57 HB3 LEU 57 -3.037 -5.820 14.200 903 HG LEU 57 HG LEU 57 -4.810 -4.135 14.356 904 HD11 LEU 57 HD11 LEU 57 -3.335 -2.545 12.233 905 HD12 LEU 57 HD12 LEU 57 -3.501 -2.078 13.930 906 HD13 LEU 57 HD13 LEU 57 -4.929 -2.177 12.900 907 HD21 LEU 57 HD21 LEU 57 -5.762 -4.406 12.094 908 HD22 LEU 57 HD22 LEU 57 -5.008 -5.897 12.656 909 HD23 LEU 57 HD23 LEU 57 -4.170 -4.871 11.486 910 H THR 58 H THR 58 0.642 -4.475 14.395 911 HA THR 58 HA THR 58 0.653 -7.284 15.243 912 HB THR 58 HB THR 58 1.560 -6.886 13.040 913 HG1 THR 58 HG1 THR 58 2.744 -8.295 14.824 914 HG21 THR 58 HG21 THR 58 3.623 -5.645 12.606 915 HG22 THR 58 HG22 THR 58 3.695 -5.147 14.298 916 HG23 THR 58 HG23 THR 58 2.376 -4.585 13.268 917 H THR 59 H THR 59 1.062 -4.551 16.940 918 HA THR 59 HA THR 59 3.259 -5.286 18.653 919 HB THR 59 HB THR 59 1.879 -3.650 20.264 920 HG1 THR 59 HG1 THR 59 0.874 -2.706 17.788 921 HG21 THR 59 HG21 THR 59 2.893 -1.669 19.186 922 HG22 THR 59 HG22 THR 59 3.206 -2.614 17.729 923 HG23 THR 59 HG23 THR 59 4.032 -3.017 19.236 924 H MET 60 H MET 60 -0.250 -5.790 18.541 925 HA MET 60 HA MET 60 0.122 -8.256 20.137 926 HB2 MET 60 HB2 MET 60 -2.395 -6.505 20.150 927 HB3 MET 60 HB3 MET 60 -2.197 -8.036 20.997 928 HG2 MET 60 HG2 MET 60 -0.395 -6.973 22.377 929 HG3 MET 60 HG3 MET 60 -0.748 -5.440 21.585 930 HE1 MET 60 HE1 MET 60 -1.972 -8.161 24.127 931 HE2 MET 60 HE2 MET 60 -3.224 -8.304 22.891 932 HE3 MET 60 HE3 MET 60 -3.616 -7.636 24.476 933 H THR 61 H THR 61 0.556 -9.282 18.137 934 HA THR 61 HA THR 61 -0.689 -8.732 15.713 935 HB THR 61 HB THR 61 0.654 -11.359 16.262 936 HG1 THR 61 HG1 THR 61 2.530 -10.388 16.505 937 HG21 THR 61 HG21 THR 61 0.671 -9.560 13.821 938 HG22 THR 61 HG22 THR 61 -0.255 -11.054 13.983 939 HG23 THR 61 HG23 THR 61 1.508 -11.108 13.960 940 H ALA 62 H ALA 62 -2.122 -9.886 14.397 941 HA ALA 62 HA ALA 62 -4.045 -11.679 15.762 942 HB1 ALA 62 HB1 ALA 62 -5.888 -10.420 14.706 943 HB2 ALA 62 HB2 ALA 62 -4.730 -9.300 13.981 944 HB3 ALA 62 HB3 ALA 62 -4.919 -9.363 15.735 Start of MODEL 2 1 H MET 1 H MET 1 -12.760 7.730 10.250 2 HA MET 1 HA MET 1 -13.090 8.442 8.019 3 HB2 MET 1 HB2 MET 1 -11.732 10.590 8.357 4 HB3 MET 1 HB3 MET 1 -10.280 9.627 8.122 5 HG2 MET 1 HG2 MET 1 -10.947 9.105 5.846 6 HG3 MET 1 HG3 MET 1 -12.501 9.911 6.081 7 HE1 MET 1 HE1 MET 1 -10.910 12.488 3.667 8 HE2 MET 1 HE2 MET 1 -12.349 11.552 4.070 9 HE3 MET 1 HE3 MET 1 -10.876 10.729 3.554 10 H TYR 2 H TYR 2 -9.565 7.915 8.362 11 HA TYR 2 HA TYR 2 -9.745 5.070 8.284 12 HB2 TYR 2 HB2 TYR 2 -8.402 4.902 6.068 13 HB3 TYR 2 HB3 TYR 2 -10.145 5.094 6.015 14 HD1 TYR 2 HD1 TYR 2 -7.313 7.606 6.330 15 HD2 TYR 2 HD2 TYR 2 -10.737 6.301 4.138 16 HE1 TYR 2 HE1 TYR 2 -7.060 9.497 4.780 17 HE2 TYR 2 HE2 TYR 2 -10.482 8.175 2.614 18 HH TYR 2 HH TYR 2 -7.695 9.978 2.415 19 H LYS 3 H LYS 3 -7.465 4.100 7.734 20 HA LYS 3 HA LYS 3 -5.230 5.584 8.750 21 HB2 LYS 3 HB2 LYS 3 -4.941 3.953 10.771 22 HB3 LYS 3 HB3 LYS 3 -6.047 5.299 10.937 23 HG2 LYS 3 HG2 LYS 3 -6.964 3.293 11.972 24 HG3 LYS 3 HG3 LYS 3 -7.975 3.793 10.618 25 HD2 LYS 3 HD2 LYS 3 -7.200 1.970 9.250 26 HD3 LYS 3 HD3 LYS 3 -5.872 1.614 10.353 27 HE2 LYS 3 HE2 LYS 3 -7.653 -0.067 10.550 28 HE3 LYS 3 HE3 LYS 3 -7.469 0.832 12.054 29 HZ1 LYS 3 HZ1 LYS 3 -9.576 1.241 10.011 30 HZ2 LYS 3 HZ2 LYS 3 -9.388 2.164 11.414 31 HZ3 LYS 3 HZ3 LYS 3 -9.767 0.521 11.532 32 H PHE 4 H PHE 4 -3.366 4.017 9.242 33 HA PHE 4 HA PHE 4 -3.181 1.936 7.167 34 HB2 PHE 4 HB2 PHE 4 -1.069 3.480 8.731 35 HB3 PHE 4 HB3 PHE 4 -0.674 2.079 7.738 36 HD1 PHE 4 HD1 PHE 4 -1.909 5.592 7.641 37 HD2 PHE 4 HD2 PHE 4 -0.597 2.229 5.339 38 HE1 PHE 4 HE1 PHE 4 -1.718 7.018 5.643 39 HE2 PHE 4 HE2 PHE 4 -0.404 3.663 3.356 40 HZ PHE 4 HZ PHE 4 -0.966 6.051 3.505 41 H GLU 5 H GLU 5 -3.402 -0.086 7.786 42 HA GLU 5 HA GLU 5 -3.238 -0.895 10.599 43 HB2 GLU 5 HB2 GLU 5 -4.174 -2.375 8.098 44 HB3 GLU 5 HB3 GLU 5 -4.161 -3.082 9.713 45 HG2 GLU 5 HG2 GLU 5 -5.800 -1.465 10.486 46 HG3 GLU 5 HG3 GLU 5 -5.762 -0.637 8.920 47 H ILE 6 H ILE 6 -1.183 -1.449 11.288 48 HA ILE 6 HA ILE 6 0.695 -2.709 9.390 49 HB ILE 6 HB ILE 6 1.327 -1.560 12.143 50 HG12 ILE 6 HG12 ILE 6 1.870 -0.200 9.461 51 HG13 ILE 6 HG13 ILE 6 0.474 0.172 10.472 52 HG21 ILE 6 HG21 ILE 6 2.919 -3.289 11.331 53 HG22 ILE 6 HG22 ILE 6 3.693 -1.700 11.405 54 HG23 ILE 6 HG23 ILE 6 3.183 -2.361 9.848 55 HD11 ILE 6 HD11 ILE 6 3.356 0.499 11.247 56 HD12 ILE 6 HD12 ILE 6 1.963 0.874 12.268 57 HD13 ILE 6 HD13 ILE 6 2.242 1.777 10.780 58 H TYR 7 H TYR 7 0.707 -4.809 9.557 59 HA TYR 7 HA TYR 7 0.537 -6.175 12.155 60 HB2 TYR 7 HB2 TYR 7 -1.091 -7.812 11.205 61 HB3 TYR 7 HB3 TYR 7 -1.769 -6.185 11.228 62 HD1 TYR 7 HD1 TYR 7 -1.699 -4.817 9.037 63 HD2 TYR 7 HD2 TYR 7 -0.997 -9.028 9.133 64 HE1 TYR 7 HE1 TYR 7 -2.085 -4.934 6.630 65 HE2 TYR 7 HE2 TYR 7 -1.394 -9.147 6.707 66 HH TYR 7 HH TYR 7 -1.454 -6.400 4.732 67 H GLN 8 H GLN 8 1.031 -8.548 11.737 68 HA GLN 8 HA GLN 8 2.763 -8.963 9.377 69 HB2 GLN 8 HB2 GLN 8 4.160 -10.435 10.523 70 HB3 GLN 8 HB3 GLN 8 3.855 -9.208 11.738 71 HG2 GLN 8 HG2 GLN 8 2.024 -10.805 12.615 72 HG3 GLN 8 HG3 GLN 8 2.778 -12.022 11.600 73 HE21 GLN 8 HE21 GLN 8 4.949 -12.655 12.078 74 HE22 GLN 8 HE22 GLN 8 5.618 -12.426 13.651 75 H ASP 9 H ASP 9 2.269 -10.709 8.122 76 HA ASP 9 HA ASP 9 -0.424 -11.771 8.294 77 HB2 ASP 9 HB2 ASP 9 0.610 -11.087 6.108 78 HB3 ASP 9 HB3 ASP 9 1.815 -12.353 6.290 79 H LYS 10 H LYS 10 -0.687 -14.221 8.092 80 HA LYS 10 HA LYS 10 0.297 -15.618 10.259 81 HB2 LYS 10 HB2 LYS 10 -1.716 -16.239 8.979 82 HB3 LYS 10 HB3 LYS 10 -0.711 -16.758 7.628 83 HG2 LYS 10 HG2 LYS 10 0.265 -18.542 9.046 84 HG3 LYS 10 HG3 LYS 10 -0.760 -18.029 10.392 85 HD2 LYS 10 HD2 LYS 10 -1.714 -19.085 7.708 86 HD3 LYS 10 HD3 LYS 10 -1.714 -19.982 9.229 87 HE2 LYS 10 HE2 LYS 10 -3.307 -18.308 10.182 88 HE3 LYS 10 HE3 LYS 10 -3.349 -17.478 8.628 89 HZ1 LYS 10 HZ1 LYS 10 -4.258 -19.501 7.645 90 HZ2 LYS 10 HZ2 LYS 10 -5.236 -18.912 8.892 91 HZ3 LYS 10 HZ3 LYS 10 -4.243 -20.252 9.159 92 H ALA 11 H ALA 11 1.629 -15.428 7.031 93 HA ALA 11 HA ALA 11 3.701 -17.411 7.342 94 HB1 ALA 11 HB1 ALA 11 3.403 -15.173 5.313 95 HB2 ALA 11 HB2 ALA 11 2.807 -16.828 5.141 96 HB3 ALA 11 HB3 ALA 11 4.545 -16.520 5.186 97 H GLY 12 H GLY 12 3.442 -14.701 9.041 98 HA2 GLY 12 HA2 GLY 12 4.812 -13.419 10.342 99 HA3 GLY 12 HA3 GLY 12 6.191 -14.277 9.686 100 H GLU 13 H GLU 13 3.768 -12.563 7.756 101 HA GLU 13 HA GLU 13 5.975 -11.079 6.483 102 HB2 GLU 13 HB2 GLU 13 3.109 -11.459 5.534 103 HB3 GLU 13 HB3 GLU 13 4.389 -10.660 4.624 104 HG2 GLU 13 HG2 GLU 13 4.320 -13.588 5.436 105 HG3 GLU 13 HG3 GLU 13 3.971 -12.945 3.831 106 H TYR 14 H TYR 14 6.279 -9.481 8.117 107 HA TYR 14 HA TYR 14 4.388 -7.633 8.972 108 HB2 TYR 14 HB2 TYR 14 7.386 -7.367 8.585 109 HB3 TYR 14 HB3 TYR 14 6.415 -6.033 9.206 110 HD1 TYR 14 HD1 TYR 14 5.064 -6.386 11.336 111 HD2 TYR 14 HD2 TYR 14 8.064 -9.153 10.083 112 HE1 TYR 14 HE1 TYR 14 5.156 -7.314 13.605 113 HE2 TYR 14 HE2 TYR 14 8.146 -10.089 12.357 114 HH TYR 14 HH TYR 14 5.803 -9.443 14.703 115 H ARG 15 H ARG 15 3.431 -6.008 8.119 116 HA ARG 15 HA ARG 15 4.022 -4.520 5.807 117 HB2 ARG 15 HB2 ARG 15 2.335 -5.450 4.246 118 HB3 ARG 15 HB3 ARG 15 3.632 -6.580 4.607 119 HG2 ARG 15 HG2 ARG 15 1.997 -7.600 6.344 120 HG3 ARG 15 HG3 ARG 15 0.747 -6.673 5.500 121 HD2 ARG 15 HD2 ARG 15 1.604 -7.751 3.370 122 HD3 ARG 15 HD3 ARG 15 2.536 -8.841 4.383 123 HE ARG 15 HE ARG 15 0.283 -9.462 5.381 124 HH11 ARG 15 HH11 ARG 15 0.638 -8.451 2.043 125 HH12 ARG 15 HH12 ARG 15 -0.705 -9.390 1.475 126 HH21 ARG 15 HH21 ARG 15 -1.485 -10.718 4.630 127 HH22 ARG 15 HH22 ARG 15 -1.916 -10.658 2.953 128 H PHE 16 H PHE 16 2.159 -3.240 5.009 129 HA PHE 16 HA PHE 16 0.162 -2.733 7.113 130 HB2 PHE 16 HB2 PHE 16 0.443 -0.292 6.755 131 HB3 PHE 16 HB3 PHE 16 1.886 -1.051 7.402 132 HD1 PHE 16 HD1 PHE 16 3.924 -1.292 5.980 133 HD2 PHE 16 HD2 PHE 16 0.468 0.798 4.562 134 HE1 PHE 16 HE1 PHE 16 5.284 -0.212 4.235 135 HE2 PHE 16 HE2 PHE 16 1.838 1.864 2.817 136 HZ PHE 16 HZ PHE 16 4.243 1.362 2.650 137 H ARG 17 H ARG 17 -1.835 -2.173 6.446 138 HA ARG 17 HA ARG 17 -2.432 -1.988 3.557 139 HB2 ARG 17 HB2 ARG 17 -4.210 -2.745 5.934 140 HB3 ARG 17 HB3 ARG 17 -4.804 -2.509 4.288 141 HG2 ARG 17 HG2 ARG 17 -3.319 -4.347 3.519 142 HG3 ARG 17 HG3 ARG 17 -2.807 -4.611 5.178 143 HD2 ARG 17 HD2 ARG 17 -5.602 -4.999 4.062 144 HD3 ARG 17 HD3 ARG 17 -4.468 -6.271 4.530 145 HE ARG 17 HE ARG 17 -5.331 -4.358 6.581 146 HH11 ARG 17 HH11 ARG 17 -5.535 -7.637 5.328 147 HH12 ARG 17 HH12 ARG 17 -6.426 -8.217 6.693 148 HH21 ARG 17 HH21 ARG 17 -6.511 -5.124 8.327 149 HH22 ARG 17 HH22 ARG 17 -6.994 -6.793 8.396 150 H PHE 18 H PHE 18 -4.140 -0.397 3.029 151 HA PHE 18 HA PHE 18 -4.479 1.767 5.043 152 HB2 PHE 18 HB2 PHE 18 -2.972 2.584 3.227 153 HB3 PHE 18 HB3 PHE 18 -4.181 2.141 2.032 154 HD1 PHE 18 HD1 PHE 18 -4.531 3.970 5.299 155 HD2 PHE 18 HD2 PHE 18 -4.843 4.145 1.038 156 HE1 PHE 18 HE1 PHE 18 -5.449 6.245 5.444 157 HE2 PHE 18 HE2 PHE 18 -5.732 6.431 1.192 158 HZ PHE 18 HZ PHE 18 -6.063 7.462 3.398 159 H LYS 19 H LYS 19 -6.505 2.506 5.264 160 HA LYS 19 HA LYS 19 -8.643 0.795 4.193 161 HB2 LYS 19 HB2 LYS 19 -8.509 2.611 6.653 162 HB3 LYS 19 HB3 LYS 19 -9.907 1.631 6.207 163 HG2 LYS 19 HG2 LYS 19 -7.152 0.571 6.930 164 HG3 LYS 19 HG3 LYS 19 -8.568 0.577 7.989 165 HD2 LYS 19 HD2 LYS 19 -8.384 -0.894 5.328 166 HD3 LYS 19 HD3 LYS 19 -8.148 -1.641 6.904 167 HE2 LYS 19 HE2 LYS 19 -10.475 -1.054 7.523 168 HE3 LYS 19 HE3 LYS 19 -10.706 -0.314 5.939 169 HZ1 LYS 19 HZ1 LYS 19 -11.614 -2.539 6.025 170 HZ2 LYS 19 HZ2 LYS 19 -10.106 -3.170 6.448 171 HZ3 LYS 19 HZ3 LYS 19 -10.325 -2.473 4.931 172 H ALA 20 H ALA 20 -10.825 2.029 4.418 173 HA ALA 20 HA ALA 20 -10.767 4.728 3.258 174 HB1 ALA 20 HB1 ALA 20 -11.194 3.125 1.415 175 HB2 ALA 20 HB2 ALA 20 -12.615 4.119 1.734 176 HB3 ALA 20 HB3 ALA 20 -12.554 2.449 2.312 177 H SER 21 H SER 21 -12.763 5.895 3.658 178 HA SER 21 HA SER 21 -13.682 5.979 6.201 179 HB2 SER 21 HB2 SER 21 -15.564 7.413 5.288 180 HB3 SER 21 HB3 SER 21 -13.951 7.853 4.726 181 HG SER 21 HG SER 21 -15.785 7.614 3.133 182 H ASN 22 H ASN 22 -14.977 3.861 3.712 183 HA ASN 22 HA ASN 22 -17.398 3.148 5.185 184 HB2 ASN 22 HB2 ASN 22 -16.169 1.900 2.692 185 HB3 ASN 22 HB3 ASN 22 -17.766 1.527 3.332 186 HD21 ASN 22 HD21 ASN 22 -16.948 2.574 0.737 187 HD22 ASN 22 HD22 ASN 22 -17.849 4.021 0.503 188 H GLY 23 H GLY 23 -14.255 2.391 5.720 189 HA2 GLY 23 HA2 GLY 23 -13.188 0.763 6.942 190 HA3 GLY 23 HA3 GLY 23 -14.706 -0.114 7.066 191 H GLU 24 H GLU 24 -13.329 0.914 4.027 192 HA GLU 24 HA GLU 24 -13.033 -1.911 3.177 193 HB2 GLU 24 HB2 GLU 24 -13.347 0.615 1.499 194 HB3 GLU 24 HB3 GLU 24 -13.190 -1.020 0.853 195 HG2 GLU 24 HG2 GLU 24 -15.308 -1.627 2.072 196 HG3 GLU 24 HG3 GLU 24 -15.478 0.064 2.531 197 H THR 25 H THR 25 -11.005 -2.708 2.940 198 HA THR 25 HA THR 25 -8.652 -1.016 2.918 199 HB THR 25 HB THR 25 -8.917 -4.025 2.498 200 HG1 THR 25 HG1 THR 25 -8.085 -4.062 4.678 201 HG21 THR 25 HG21 THR 25 -6.813 -3.196 1.500 202 HG22 THR 25 HG22 THR 25 -6.483 -4.134 2.954 203 HG23 THR 25 HG23 THR 25 -6.414 -2.372 3.009 204 H MET 26 H MET 26 -7.586 -0.335 1.223 205 HA MET 26 HA MET 26 -8.515 -1.060 -1.497 206 HB2 MET 26 HB2 MET 26 -7.505 1.310 -2.056 207 HB3 MET 26 HB3 MET 26 -9.102 1.161 -1.343 208 HG2 MET 26 HG2 MET 26 -7.857 2.959 -0.305 209 HG3 MET 26 HG3 MET 26 -8.161 1.685 0.874 210 HE1 MET 26 HE1 MET 26 -5.665 3.508 -1.340 211 HE2 MET 26 HE2 MET 26 -5.441 1.887 -1.995 212 HE3 MET 26 HE3 MET 26 -4.150 2.657 -1.073 213 H PHE 27 H PHE 27 -5.633 -0.986 0.523 214 HA PHE 27 HA PHE 27 -4.510 -2.803 -1.425 215 HB2 PHE 27 HB2 PHE 27 -2.500 -1.760 -2.031 216 HB3 PHE 27 HB3 PHE 27 -3.618 -0.411 -2.057 217 HD1 PHE 27 HD1 PHE 27 -3.500 1.274 -0.214 218 HD2 PHE 27 HD2 PHE 27 -0.587 -1.781 -0.508 219 HE1 PHE 27 HE1 PHE 27 -2.057 2.585 1.232 220 HE2 PHE 27 HE2 PHE 27 0.896 -0.485 0.975 221 HZ PHE 27 HZ PHE 27 0.171 1.704 1.853 222 H SER 28 H SER 28 -2.643 -3.882 -0.744 223 HA SER 28 HA SER 28 -1.909 -3.776 2.121 224 HB2 SER 28 HB2 SER 28 -3.307 -5.821 1.734 225 HB3 SER 28 HB3 SER 28 -2.205 -6.329 0.454 226 HG SER 28 HG SER 28 -1.064 -7.200 1.956 227 H SER 29 H SER 29 0.333 -3.999 2.451 228 HA SER 29 HA SER 29 1.966 -3.468 0.041 229 HB2 SER 29 HB2 SER 29 1.873 -1.669 1.764 230 HB3 SER 29 HB3 SER 29 2.478 -2.790 2.980 231 HG SER 29 HG SER 29 3.803 -1.427 1.002 232 H GLU 30 H GLU 30 4.360 -4.121 0.459 233 HA GLU 30 HA GLU 30 4.560 -6.882 1.454 234 HB2 GLU 30 HB2 GLU 30 6.759 -5.227 0.154 235 HB3 GLU 30 HB3 GLU 30 6.660 -6.982 0.287 236 HG2 GLU 30 HG2 GLU 30 4.665 -6.920 -1.231 237 HG3 GLU 30 HG3 GLU 30 4.902 -5.194 -1.422 238 H GLY 31 H GLY 31 4.862 -3.755 2.651 239 HA2 GLY 31 HA2 GLY 31 5.404 -3.012 4.752 240 HA3 GLY 31 HA3 GLY 31 5.961 -4.623 5.159 241 H TYR 32 H TYR 32 7.506 -3.757 2.408 242 HA TYR 32 HA TYR 32 9.433 -2.836 1.709 243 HB2 TYR 32 HB2 TYR 32 8.840 -0.789 2.975 244 HB3 TYR 32 HB3 TYR 32 9.575 -1.457 4.428 245 HD1 TYR 32 HD1 TYR 32 10.389 -0.416 0.914 246 HD2 TYR 32 HD2 TYR 32 11.891 -1.078 4.853 247 HE1 TYR 32 HE1 TYR 32 12.548 0.551 0.262 248 HE2 TYR 32 HE2 TYR 32 14.052 -0.116 4.196 249 HH TYR 32 HH TYR 32 14.490 1.532 1.201 250 H LYS 33 H LYS 33 9.944 -3.657 5.194 251 HA LYS 33 HA LYS 33 11.715 -5.854 4.495 252 HB2 LYS 33 HB2 LYS 33 13.232 -3.884 4.454 253 HB3 LYS 33 HB3 LYS 33 12.757 -3.467 6.093 254 HG2 LYS 33 HG2 LYS 33 14.947 -4.550 6.069 255 HG3 LYS 33 HG3 LYS 33 13.768 -5.538 6.937 256 HD2 LYS 33 HD2 LYS 33 13.555 -7.041 5.015 257 HD3 LYS 33 HD3 LYS 33 14.599 -6.001 4.046 258 HE2 LYS 33 HE2 LYS 33 15.496 -7.456 6.556 259 HE3 LYS 33 HE3 LYS 33 15.741 -8.050 4.913 260 HZ1 LYS 33 HZ1 LYS 33 16.807 -5.494 5.985 261 HZ2 LYS 33 HZ2 LYS 33 17.075 -6.117 4.436 262 HZ3 LYS 33 HZ3 LYS 33 17.689 -6.922 5.787 263 H ALA 34 H ALA 34 10.458 -3.808 7.124 264 HA ALA 34 HA ALA 34 9.791 -6.108 8.801 265 HB1 ALA 34 HB1 ALA 34 12.184 -5.689 9.306 266 HB2 ALA 34 HB2 ALA 34 11.153 -5.359 10.697 267 HB3 ALA 34 HB3 ALA 34 11.795 -4.022 9.740 268 H LYS 35 H LYS 35 9.059 -4.834 11.219 269 HA LYS 35 HA LYS 35 6.786 -3.378 10.318 270 HB2 LYS 35 HB2 LYS 35 6.113 -3.283 12.671 271 HB3 LYS 35 HB3 LYS 35 6.539 -4.896 12.176 272 HG2 LYS 35 HG2 LYS 35 7.376 -4.798 14.341 273 HG3 LYS 35 HG3 LYS 35 8.801 -4.483 13.364 274 HD2 LYS 35 HD2 LYS 35 8.561 -3.024 15.436 275 HD3 LYS 35 HD3 LYS 35 8.807 -2.151 13.927 276 HE2 LYS 35 HE2 LYS 35 7.106 -1.046 15.301 277 HE3 LYS 35 HE3 LYS 35 6.404 -1.643 13.801 278 HZ1 LYS 35 HZ1 LYS 35 5.571 -3.561 15.033 279 HZ2 LYS 35 HZ2 LYS 35 4.964 -2.101 15.616 280 HZ3 LYS 35 HZ3 LYS 35 6.181 -2.906 16.467 281 H ALA 36 H ALA 36 9.719 -2.481 12.181 282 HA ALA 36 HA ALA 36 9.186 0.240 12.534 283 HB1 ALA 36 HB1 ALA 36 11.898 -1.072 12.134 284 HB2 ALA 36 HB2 ALA 36 11.046 -0.910 13.669 285 HB3 ALA 36 HB3 ALA 36 11.626 0.528 12.827 286 H SER 37 H SER 37 10.700 -1.460 9.841 287 HA SER 37 HA SER 37 11.322 0.738 8.172 288 HB2 SER 37 HB2 SER 37 10.634 -2.072 7.230 289 HB3 SER 37 HB3 SER 37 11.735 -0.911 6.495 290 HG SER 37 HG SER 37 12.816 -1.143 8.707 291 H ALA 38 H ALA 38 8.395 -1.084 8.762 292 HA ALA 38 HA ALA 38 6.884 -0.243 6.494 293 HB1 ALA 38 HB1 ALA 38 4.922 -1.178 7.666 294 HB2 ALA 38 HB2 ALA 38 5.877 -1.365 9.141 295 HB3 ALA 38 HB3 ALA 38 6.285 -2.300 7.702 296 H ILE 39 H ILE 39 6.899 0.875 10.000 297 HA ILE 39 HA ILE 39 5.245 3.061 9.781 298 HB ILE 39 HB ILE 39 7.693 2.592 11.532 299 HG12 ILE 39 HG12 ILE 39 5.896 2.731 13.388 300 HG13 ILE 39 HG13 ILE 39 4.697 2.731 12.102 301 HG21 ILE 39 HG21 ILE 39 7.186 4.644 12.855 302 HG22 ILE 39 HG22 ILE 39 6.015 5.125 11.625 303 HG23 ILE 39 HG23 ILE 39 7.726 5.013 11.214 304 HD11 ILE 39 HD11 ILE 39 5.487 0.513 11.412 305 HD12 ILE 39 HD12 ILE 39 4.928 0.554 13.083 306 HD13 ILE 39 HD13 ILE 39 6.657 0.537 12.736 307 H HIS 40 H HIS 40 8.789 2.989 9.144 308 HA HIS 40 HA HIS 40 9.144 5.708 8.518 309 HB2 HIS 40 HB2 HIS 40 10.737 3.261 7.656 310 HB3 HIS 40 HB3 HIS 40 11.218 4.895 7.212 311 HD1 HIS 40 HD1 HIS 40 11.427 6.525 9.508 312 HD2 HIS 40 HD2 HIS 40 11.968 2.434 9.923 313 HE1 HIS 40 HE1 HIS 40 12.807 6.238 11.578 314 HE2 HIS 40 HE2 HIS 40 12.866 3.755 11.943 315 H ALA 41 H ALA 41 8.234 2.968 6.457 316 HA ALA 41 HA ALA 41 8.130 4.288 3.986 317 HB1 ALA 41 HB1 ALA 41 6.710 2.418 3.263 318 HB2 ALA 41 HB2 ALA 41 6.434 1.941 4.945 319 HB3 ALA 41 HB3 ALA 41 8.051 1.820 4.245 320 H ILE 42 H ILE 42 5.576 3.726 6.436 321 HA ILE 42 HA ILE 42 3.538 5.160 5.141 322 HB ILE 42 HB ILE 42 3.899 4.595 8.106 323 HG12 ILE 42 HG12 ILE 42 2.134 3.124 6.087 324 HG13 ILE 42 HG13 ILE 42 3.777 2.614 6.457 325 HG21 ILE 42 HG21 ILE 42 2.289 6.433 7.810 326 HG22 ILE 42 HG22 ILE 42 1.450 4.970 8.321 327 HG23 ILE 42 HG23 ILE 42 1.381 5.481 6.633 328 HD11 ILE 42 HD11 ILE 42 1.525 2.792 8.435 329 HD12 ILE 42 HD12 ILE 42 3.168 2.215 8.751 330 HD13 ILE 42 HD13 ILE 42 2.114 1.332 7.647 331 H GLU 43 H GLU 43 6.285 6.295 6.945 332 HA GLU 43 HA GLU 43 5.237 8.868 7.684 333 HB2 GLU 43 HB2 GLU 43 8.090 7.826 7.530 334 HB3 GLU 43 HB3 GLU 43 7.693 9.467 8.043 335 HG2 GLU 43 HG2 GLU 43 6.291 8.494 9.882 336 HG3 GLU 43 HG3 GLU 43 6.846 6.892 9.409 337 H SER 44 H SER 44 6.952 7.538 4.871 338 HA SER 44 HA SER 44 7.365 9.851 3.347 339 HB2 SER 44 HB2 SER 44 6.605 7.022 2.576 340 HB3 SER 44 HB3 SER 44 6.900 8.239 1.343 341 HG SER 44 HG SER 44 8.645 6.947 3.100 342 H ILE 45 H ILE 45 4.417 7.984 3.942 343 HA ILE 45 HA ILE 45 2.904 9.120 1.815 344 HB ILE 45 HB ILE 45 1.468 7.974 4.246 345 HG12 ILE 45 HG12 ILE 45 3.390 6.397 3.757 346 HG13 ILE 45 HG13 ILE 45 1.803 5.674 3.552 347 HG21 ILE 45 HG21 ILE 45 1.037 7.767 1.244 348 HG22 ILE 45 HG22 ILE 45 0.168 8.841 2.357 349 HG23 ILE 45 HG23 ILE 45 -0.040 7.093 2.484 350 HD11 ILE 45 HD11 ILE 45 3.305 4.959 1.836 351 HD12 ILE 45 HD12 ILE 45 3.648 6.626 1.384 352 HD13 ILE 45 HD13 ILE 45 2.036 5.951 1.125 353 H LYS 46 H LYS 46 3.214 9.765 5.288 354 HA LYS 46 HA LYS 46 1.310 11.718 5.682 355 HB2 LYS 46 HB2 LYS 46 3.864 10.978 7.082 356 HB3 LYS 46 HB3 LYS 46 3.108 12.490 7.540 357 HG2 LYS 46 HG2 LYS 46 2.485 10.770 9.098 358 HG3 LYS 46 HG3 LYS 46 1.061 11.284 8.200 359 HD2 LYS 46 HD2 LYS 46 2.585 8.825 7.309 360 HD3 LYS 46 HD3 LYS 46 1.495 8.717 8.689 361 HE2 LYS 46 HE2 LYS 46 0.717 9.575 5.888 362 HE3 LYS 46 HE3 LYS 46 0.406 8.001 6.618 363 HZ1 LYS 46 HZ1 LYS 46 -0.675 10.619 7.457 364 HZ2 LYS 46 HZ2 LYS 46 -0.853 9.202 8.362 365 HZ3 LYS 46 HZ3 LYS 46 -1.533 9.309 6.822 366 H ARG 47 H ARG 47 4.346 12.053 4.059 367 HA ARG 47 HA ARG 47 4.841 14.795 4.715 368 HB2 ARG 47 HB2 ARG 47 6.031 13.157 2.444 369 HB3 ARG 47 HB3 ARG 47 6.672 14.674 3.068 370 HG2 ARG 47 HG2 ARG 47 6.537 12.019 4.524 371 HG3 ARG 47 HG3 ARG 47 7.983 12.808 3.893 372 HD2 ARG 47 HD2 ARG 47 7.829 14.570 5.524 373 HD3 ARG 47 HD3 ARG 47 6.225 14.036 6.048 374 HE ARG 47 HE ARG 47 8.621 12.342 6.386 375 HH11 ARG 47 HH11 ARG 47 5.837 13.939 7.818 376 HH12 ARG 47 HH12 ARG 47 6.009 13.124 9.340 377 HH21 ARG 47 HH21 ARG 47 8.822 11.279 8.381 378 HH22 ARG 47 HH22 ARG 47 7.694 11.619 9.656 379 H ASN 48 H ASN 48 3.489 13.234 1.822 380 HA ASN 48 HA ASN 48 2.009 15.476 0.887 381 HB2 ASN 48 HB2 ASN 48 4.326 16.417 0.483 382 HB3 ASN 48 HB3 ASN 48 4.628 15.116 -0.658 383 HD21 ASN 48 HD21 ASN 48 4.912 16.431 -2.440 384 HD22 ASN 48 HD22 ASN 48 3.648 17.369 -3.154 385 H SER 49 H SER 49 2.130 12.382 1.000 386 HA SER 49 HA SER 49 2.151 11.414 -1.691 387 HB2 SER 49 HB2 SER 49 2.550 9.974 0.268 388 HB3 SER 49 HB3 SER 49 0.862 10.155 0.737 389 HG SER 49 HG SER 49 1.907 8.400 -0.931 390 H ALA 50 H ALA 50 -0.477 12.573 0.413 391 HA ALA 50 HA ALA 50 -2.644 12.032 -1.214 392 HB1 ALA 50 HB1 ALA 50 -3.773 13.906 -0.093 393 HB2 ALA 50 HB2 ALA 50 -2.219 14.485 0.515 394 HB3 ALA 50 HB3 ALA 50 -2.851 12.926 1.052 395 H GLY 51 H GLY 51 -0.273 14.651 -1.501 396 HA2 GLY 51 HA2 GLY 51 -1.606 15.783 -3.866 397 HA3 GLY 51 HA3 GLY 51 -0.243 16.473 -3.001 398 H ALA 52 H ALA 52 0.494 13.264 -3.409 399 HA ALA 52 HA ALA 52 2.586 13.678 -5.247 400 HB1 ALA 52 HB1 ALA 52 2.607 11.884 -3.555 401 HB2 ALA 52 HB2 ALA 52 2.896 11.229 -5.167 402 HB3 ALA 52 HB3 ALA 52 1.306 11.050 -4.409 403 H ASP 53 H ASP 53 2.936 12.710 -7.348 404 HA ASP 53 HA ASP 53 0.628 12.837 -9.107 405 HB2 ASP 53 HB2 ASP 53 2.846 13.862 -9.713 406 HB3 ASP 53 HB3 ASP 53 3.548 12.247 -9.764 407 H THR 54 H THR 54 -0.037 11.089 -10.469 408 HA THR 54 HA THR 54 0.731 8.369 -9.529 409 HB THR 54 HB THR 54 -1.927 9.180 -10.789 410 HG1 THR 54 HG1 THR 54 -1.576 10.250 -8.769 411 HG21 THR 54 HG21 THR 54 -1.129 6.735 -9.184 412 HG22 THR 54 HG22 THR 54 -1.466 6.763 -10.915 413 HG23 THR 54 HG23 THR 54 -2.765 7.088 -9.757 414 H VAL 55 H VAL 55 2.238 7.688 -10.987 415 HA VAL 55 HA VAL 55 1.858 8.155 -13.890 416 HB VAL 55 HB VAL 55 4.416 7.256 -12.488 417 HG11 VAL 55 HG11 VAL 55 4.384 6.696 -14.861 418 HG12 VAL 55 HG12 VAL 55 5.553 7.982 -14.564 419 HG13 VAL 55 HG13 VAL 55 3.987 8.363 -15.288 420 HG21 VAL 55 HG21 VAL 55 3.803 9.437 -11.609 421 HG22 VAL 55 HG22 VAL 55 3.616 10.086 -13.243 422 HG23 VAL 55 HG23 VAL 55 5.210 9.590 -12.663 423 H ASP 56 H ASP 56 1.376 6.454 -15.146 424 HA ASP 56 HA ASP 56 1.552 3.686 -14.150 425 HB2 ASP 56 HB2 ASP 56 0.248 4.726 -16.701 426 HB3 ASP 56 HB3 ASP 56 0.107 3.098 -16.052 427 H LEU 57 H LEU 57 3.555 2.887 -14.485 428 HA LEU 57 HA LEU 57 5.202 3.393 -16.784 429 HB2 LEU 57 HB2 LEU 57 5.370 1.412 -14.488 430 HB3 LEU 57 HB3 LEU 57 6.569 1.463 -15.767 431 HG LEU 57 HG LEU 57 7.361 3.639 -15.074 432 HD11 LEU 57 HD11 LEU 57 6.453 4.884 -13.134 433 HD12 LEU 57 HD12 LEU 57 5.109 3.742 -13.040 434 HD13 LEU 57 HD13 LEU 57 5.291 4.779 -14.455 435 HD21 LEU 57 HD21 LEU 57 8.241 1.723 -13.842 436 HD22 LEU 57 HD22 LEU 57 6.936 1.860 -12.660 437 HD23 LEU 57 HD23 LEU 57 8.151 3.135 -12.790 438 H THR 58 H THR 58 2.548 1.307 -16.222 439 HA THR 58 HA THR 58 3.319 -0.594 -18.342 440 HB THR 58 HB THR 58 2.628 -1.641 -16.225 441 HG1 THR 58 HG1 THR 58 2.036 -2.969 -17.807 442 HG21 THR 58 HG21 THR 58 -0.068 -0.284 -16.585 443 HG22 THR 58 HG22 THR 58 1.129 0.129 -15.356 444 HG23 THR 58 HG23 THR 58 0.352 -1.454 -15.335 445 H THR 59 H THR 59 2.321 2.326 -18.548 446 HA THR 59 HA THR 59 -0.163 2.499 -19.814 447 HB THR 59 HB THR 59 1.138 4.381 -21.257 448 HG1 THR 59 HG1 THR 59 2.857 4.731 -19.193 449 HG21 THR 59 HG21 THR 59 -0.535 4.872 -19.498 450 HG22 THR 59 HG22 THR 59 0.820 6.001 -19.465 451 HG23 THR 59 HG23 THR 59 0.724 4.709 -18.272 452 H MET 60 H MET 60 -0.887 1.276 -21.438 453 HA MET 60 HA MET 60 0.940 0.314 -23.551 454 HB2 MET 60 HB2 MET 60 -0.607 -1.253 -22.131 455 HB3 MET 60 HB3 MET 60 -1.923 -0.615 -23.106 456 HG2 MET 60 HG2 MET 60 -1.114 -2.763 -23.970 457 HG3 MET 60 HG3 MET 60 -0.847 -1.463 -25.134 458 HE1 MET 60 HE1 MET 60 1.318 -2.144 -21.868 459 HE2 MET 60 HE2 MET 60 2.567 -3.206 -22.514 460 HE3 MET 60 HE3 MET 60 0.900 -3.773 -22.404 461 H THR 61 H THR 61 0.496 2.934 -23.704 462 HA THR 61 HA THR 61 -1.872 3.783 -25.044 463 HB THR 61 HB THR 61 -0.551 5.954 -25.330 464 HG1 THR 61 HG1 THR 61 1.558 4.933 -25.294 465 HG21 THR 61 HG21 THR 61 -0.651 4.829 -22.504 466 HG22 THR 61 HG22 THR 61 -1.997 5.597 -23.346 467 HG23 THR 61 HG23 THR 61 -0.564 6.540 -22.935 468 H ALA 62 H ALA 62 -2.319 3.328 -27.080 469 HA ALA 62 HA ALA 62 -0.585 3.937 -29.283 470 HB1 ALA 62 HB1 ALA 62 -1.282 0.998 -28.864 471 HB2 ALA 62 HB2 ALA 62 0.328 1.706 -28.737 472 HB3 ALA 62 HB3 ALA 62 -0.505 1.679 -30.293 473 H MET 1 H MET 1 9.723 15.484 -7.478 474 HA MET 1 HA MET 1 10.176 15.648 -5.143 475 HB2 MET 1 HB2 MET 1 8.065 17.006 -4.686 476 HB3 MET 1 HB3 MET 1 7.155 15.506 -4.751 477 HG2 MET 1 HG2 MET 1 8.373 14.663 -2.799 478 HG3 MET 1 HG3 MET 1 9.353 16.136 -2.759 479 HE1 MET 1 HE1 MET 1 7.125 16.819 0.371 480 HE2 MET 1 HE2 MET 1 8.762 16.842 -0.285 481 HE3 MET 1 HE3 MET 1 7.907 15.310 -0.099 482 H TYR 2 H TYR 2 7.147 13.825 -5.688 483 HA TYR 2 HA TYR 2 8.474 11.423 -6.505 484 HB2 TYR 2 HB2 TYR 2 7.440 10.059 -4.525 485 HB3 TYR 2 HB3 TYR 2 8.982 10.869 -4.321 486 HD1 TYR 2 HD1 TYR 2 5.384 12.005 -3.948 487 HD2 TYR 2 HD2 TYR 2 9.227 11.594 -2.144 488 HE1 TYR 2 HE1 TYR 2 4.540 13.041 -1.888 489 HE2 TYR 2 HE2 TYR 2 8.388 12.620 -0.106 490 HH TYR 2 HH TYR 2 6.621 14.040 0.631 491 H LYS 3 H LYS 3 6.769 9.510 -6.404 492 HA LYS 3 HA LYS 3 4.074 10.234 -7.040 493 HB2 LYS 3 HB2 LYS 3 4.297 9.383 -9.499 494 HB3 LYS 3 HB3 LYS 3 4.776 11.029 -9.130 495 HG2 LYS 3 HG2 LYS 3 6.370 10.139 -10.651 496 HG3 LYS 3 HG3 LYS 3 7.155 10.287 -9.081 497 HD2 LYS 3 HD2 LYS 3 6.959 7.867 -8.725 498 HD3 LYS 3 HD3 LYS 3 6.062 7.694 -10.239 499 HE2 LYS 3 HE2 LYS 3 8.469 7.050 -10.442 500 HE3 LYS 3 HE3 LYS 3 8.013 8.366 -11.525 501 HZ1 LYS 3 HZ1 LYS 3 9.421 8.658 -8.928 502 HZ2 LYS 3 HZ2 LYS 3 8.993 9.927 -9.961 503 HZ3 LYS 3 HZ3 LYS 3 10.123 8.777 -10.459 504 H PHE 4 H PHE 4 2.945 8.311 -8.144 505 HA PHE 4 HA PHE 4 3.729 5.786 -6.851 506 HB2 PHE 4 HB2 PHE 4 1.080 6.814 -7.947 507 HB3 PHE 4 HB3 PHE 4 1.319 5.122 -7.521 508 HD1 PHE 4 HD1 PHE 4 1.138 8.582 -6.137 509 HD2 PHE 4 HD2 PHE 4 1.351 4.404 -5.226 510 HE1 PHE 4 HE1 PHE 4 0.573 9.050 -3.785 511 HE2 PHE 4 HE2 PHE 4 0.793 4.885 -2.886 512 HZ PHE 4 HZ PHE 4 0.402 7.203 -2.162 513 H GLU 5 H GLU 5 4.679 4.337 -8.086 514 HA GLU 5 HA GLU 5 4.623 4.460 -11.008 515 HB2 GLU 5 HB2 GLU 5 6.246 2.654 -9.151 516 HB3 GLU 5 HB3 GLU 5 6.459 2.806 -10.895 517 HG2 GLU 5 HG2 GLU 5 6.998 5.259 -10.495 518 HG3 GLU 5 HG3 GLU 5 7.031 4.884 -8.771 519 H ILE 6 H ILE 6 2.925 3.386 -11.951 520 HA ILE 6 HA ILE 6 1.828 0.962 -10.680 521 HB ILE 6 HB ILE 6 0.599 2.651 -12.912 522 HG12 ILE 6 HG12 ILE 6 -0.227 2.583 -9.965 523 HG13 ILE 6 HG13 ILE 6 0.776 3.848 -10.668 524 HG21 ILE 6 HG21 ILE 6 -0.115 0.258 -12.926 525 HG22 ILE 6 HG22 ILE 6 -1.460 1.322 -12.500 526 HG23 ILE 6 HG23 ILE 6 -0.634 0.401 -11.241 527 HD11 ILE 6 HD11 ILE 6 -2.052 3.183 -11.438 528 HD12 ILE 6 HD12 ILE 6 -1.056 4.445 -12.173 529 HD13 ILE 6 HD13 ILE 6 -1.513 4.553 -10.474 530 H TYR 7 H TYR 7 2.616 -0.800 -11.511 531 HA TYR 7 HA TYR 7 3.115 -1.093 -14.393 532 HB2 TYR 7 HB2 TYR 7 5.316 -2.152 -13.935 533 HB3 TYR 7 HB3 TYR 7 5.302 -0.482 -13.372 534 HD1 TYR 7 HD1 TYR 7 4.629 -0.175 -10.803 535 HD2 TYR 7 HD2 TYR 7 6.157 -3.806 -12.451 536 HE1 TYR 7 HE1 TYR 7 5.305 -0.899 -8.568 537 HE2 TYR 7 HE2 TYR 7 6.838 -4.533 -10.202 538 HH TYR 7 HH TYR 7 5.793 -2.978 -7.363 539 H GLN 8 H GLN 8 3.621 -3.458 -14.784 540 HA GLN 8 HA GLN 8 2.371 -5.253 -12.786 541 HB2 GLN 8 HB2 GLN 8 1.569 -6.707 -14.421 542 HB3 GLN 8 HB3 GLN 8 1.281 -5.140 -15.157 543 HG2 GLN 8 HG2 GLN 8 3.508 -5.515 -16.392 544 HG3 GLN 8 HG3 GLN 8 3.379 -7.184 -15.862 545 HE21 GLN 8 HE21 GLN 8 1.626 -8.448 -16.637 546 HE22 GLN 8 HE22 GLN 8 0.778 -8.031 -18.082 547 H ASP 9 H ASP 9 3.592 -6.959 -12.136 548 HA ASP 9 HA ASP 9 6.466 -6.778 -12.468 549 HB2 ASP 9 HB2 ASP 9 5.550 -7.270 -10.236 550 HB3 ASP 9 HB3 ASP 9 4.697 -8.673 -10.851 551 H LYS 10 H LYS 10 7.684 -8.840 -13.058 552 HA LYS 10 HA LYS 10 7.139 -9.761 -15.583 553 HB2 LYS 10 HB2 LYS 10 8.823 -11.601 -15.081 554 HB3 LYS 10 HB3 LYS 10 9.347 -9.956 -14.795 555 HG2 LYS 10 HG2 LYS 10 10.241 -11.110 -12.976 556 HG3 LYS 10 HG3 LYS 10 8.782 -10.392 -12.305 557 HD2 LYS 10 HD2 LYS 10 9.026 -12.687 -11.498 558 HD3 LYS 10 HD3 LYS 10 7.613 -12.580 -12.544 559 HE2 LYS 10 HE2 LYS 10 8.861 -14.626 -13.016 560 HE3 LYS 10 HE3 LYS 10 8.929 -13.542 -14.403 561 HZ1 LYS 10 HZ1 LYS 10 11.131 -12.870 -13.752 562 HZ2 LYS 10 HZ2 LYS 10 11.069 -14.547 -13.920 563 HZ3 LYS 10 HZ3 LYS 10 11.071 -13.856 -12.377 564 H ALA 11 H ALA 11 6.054 -11.123 -12.577 565 HA ALA 11 HA ALA 11 4.903 -13.563 -13.631 566 HB1 ALA 11 HB1 ALA 11 4.505 -12.156 -10.970 567 HB2 ALA 11 HB2 ALA 11 5.678 -13.428 -11.316 568 HB3 ALA 11 HB3 ALA 11 3.952 -13.792 -11.347 569 H GLY 12 H GLY 12 4.003 -10.592 -14.361 570 HA2 GLY 12 HA2 GLY 12 2.159 -9.590 -15.249 571 HA3 GLY 12 HA3 GLY 12 1.266 -11.075 -14.998 572 H GLU 13 H GLU 13 2.958 -9.277 -12.459 573 HA GLU 13 HA GLU 13 0.436 -9.261 -10.919 574 HB2 GLU 13 HB2 GLU 13 3.270 -8.687 -9.959 575 HB3 GLU 13 HB3 GLU 13 1.849 -8.865 -8.938 576 HG2 GLU 13 HG2 GLU 13 3.115 -11.037 -10.637 577 HG3 GLU 13 HG3 GLU 13 3.268 -10.857 -8.889 578 H TYR 14 H TYR 14 -0.586 -7.474 -11.970 579 HA TYR 14 HA TYR 14 0.403 -4.872 -12.070 580 HB2 TYR 14 HB2 TYR 14 -2.421 -5.949 -11.898 581 HB3 TYR 14 HB3 TYR 14 -2.128 -4.211 -11.897 582 HD1 TYR 14 HD1 TYR 14 -0.920 -3.151 -13.856 583 HD2 TYR 14 HD2 TYR 14 -2.303 -7.195 -13.985 584 HE1 TYR 14 HE1 TYR 14 -0.728 -3.142 -16.301 585 HE2 TYR 14 HE2 TYR 14 -2.115 -7.177 -16.441 586 HH TYR 14 HH TYR 14 -0.429 -4.808 -18.136 587 H ARG 15 H ARG 15 0.693 -3.360 -10.692 588 HA ARG 15 HA ARG 15 -0.253 -3.066 -8.051 589 HB2 ARG 15 HB2 ARG 15 1.800 -3.680 -6.804 590 HB3 ARG 15 HB3 ARG 15 1.035 -5.060 -7.584 591 HG2 ARG 15 HG2 ARG 15 2.724 -4.835 -9.451 592 HG3 ARG 15 HG3 ARG 15 3.551 -3.618 -8.474 593 HD2 ARG 15 HD2 ARG 15 3.733 -5.311 -6.671 594 HD3 ARG 15 HD3 ARG 15 3.056 -6.513 -7.757 595 HE ARG 15 HE ARG 15 5.086 -5.870 -9.221 596 HH11 ARG 15 HH11 ARG 15 5.160 -6.030 -5.721 597 HH12 ARG 15 HH12 ARG 15 6.835 -6.456 -5.650 598 HH21 ARG 15 HH21 ARG 15 7.321 -6.393 -9.119 599 HH22 ARG 15 HH22 ARG 15 8.062 -6.656 -7.571 600 H PHE 16 H PHE 16 1.000 -1.462 -6.791 601 HA PHE 16 HA PHE 16 2.479 0.429 -8.499 602 HB2 PHE 16 HB2 PHE 16 1.296 2.311 -7.388 603 HB3 PHE 16 HB3 PHE 16 0.225 1.302 -8.341 604 HD1 PHE 16 HD1 PHE 16 -1.459 -0.153 -7.216 605 HD2 PHE 16 HD2 PHE 16 1.006 2.522 -4.964 606 HE1 PHE 16 HE1 PHE 16 -3.001 -0.329 -5.308 607 HE2 PHE 16 HE2 PHE 16 -0.549 2.340 -3.063 608 HZ PHE 16 HZ PHE 16 -2.548 0.916 -3.232 609 H ARG 17 H ARG 17 4.150 1.478 -7.564 610 HA ARG 17 HA ARG 17 4.844 0.947 -4.741 611 HB2 ARG 17 HB2 ARG 17 6.569 1.832 -7.111 612 HB3 ARG 17 HB3 ARG 17 7.152 1.708 -5.451 613 HG2 ARG 17 HG2 ARG 17 6.756 -0.707 -5.468 614 HG3 ARG 17 HG3 ARG 17 6.094 -0.607 -7.097 615 HD2 ARG 17 HD2 ARG 17 8.953 0.018 -6.287 616 HD3 ARG 17 HD3 ARG 17 8.402 -1.429 -7.137 617 HE ARG 17 HE ARG 17 8.220 1.308 -8.281 618 HH11 ARG 17 HH11 ARG 17 8.911 -2.107 -8.715 619 HH12 ARG 17 HH12 ARG 17 9.381 -1.920 -10.372 620 HH21 ARG 17 HH21 ARG 17 8.804 1.522 -10.456 621 HH22 ARG 17 HH22 ARG 17 9.310 0.132 -11.365 622 H PHE 18 H PHE 18 5.808 2.835 -3.617 623 HA PHE 18 HA PHE 18 5.130 5.478 -4.809 624 HB2 PHE 18 HB2 PHE 18 3.560 5.019 -2.933 625 HB3 PHE 18 HB3 PHE 18 4.922 4.708 -1.869 626 HD1 PHE 18 HD1 PHE 18 4.332 7.495 -4.322 627 HD2 PHE 18 HD2 PHE 18 4.827 6.375 -0.226 628 HE1 PHE 18 HE1 PHE 18 4.294 9.857 -3.655 629 HE2 PHE 18 HE2 PHE 18 4.758 8.740 0.436 630 HZ PHE 18 HZ PHE 18 4.528 10.473 -1.288 631 H LYS 19 H LYS 19 6.697 6.975 -4.674 632 HA LYS 19 HA LYS 19 9.397 5.985 -4.060 633 HB2 LYS 19 HB2 LYS 19 8.403 8.291 -5.812 634 HB3 LYS 19 HB3 LYS 19 10.094 7.829 -5.621 635 HG2 LYS 19 HG2 LYS 19 7.911 6.084 -6.809 636 HG3 LYS 19 HG3 LYS 19 9.118 6.988 -7.732 637 HD2 LYS 19 HD2 LYS 19 9.743 4.771 -5.730 638 HD3 LYS 19 HD3 LYS 19 9.674 4.560 -7.476 639 HE2 LYS 19 HE2 LYS 19 11.525 6.257 -7.679 640 HE3 LYS 19 HE3 LYS 19 11.646 6.268 -5.924 641 HZ1 LYS 19 HZ1 LYS 19 13.277 4.801 -6.888 642 HZ2 LYS 19 HZ2 LYS 19 12.075 3.931 -7.693 643 HZ3 LYS 19 HZ3 LYS 19 12.149 3.895 -6.008 644 H ALA 20 H ALA 20 10.903 7.983 -3.742 645 HA ALA 20 HA ALA 20 9.876 9.921 -1.786 646 HB1 ALA 20 HB1 ALA 20 12.476 8.351 -1.503 647 HB2 ALA 20 HB2 ALA 20 11.024 8.109 -0.529 648 HB3 ALA 20 HB3 ALA 20 11.917 9.627 -0.417 649 H SER 21 H SER 21 11.241 11.850 -1.666 650 HA SER 21 HA SER 21 11.865 13.061 -4.012 651 HB2 SER 21 HB2 SER 21 13.084 14.779 -2.597 652 HB3 SER 21 HB3 SER 21 11.462 14.363 -2.047 653 HG SER 21 HG SER 21 12.346 13.871 -0.234 654 H ASN 22 H ASN 22 14.062 10.970 -2.226 655 HA ASN 22 HA ASN 22 16.446 11.755 -3.727 656 HB2 ASN 22 HB2 ASN 22 15.911 9.588 -1.668 657 HB3 ASN 22 HB3 ASN 22 17.458 9.720 -2.499 658 HD21 ASN 22 HD21 ASN 22 16.733 9.996 0.325 659 HD22 ASN 22 HD22 ASN 22 17.358 11.532 0.821 660 H GLY 23 H GLY 23 13.821 10.058 -4.641 661 HA2 GLY 23 HA2 GLY 23 13.376 8.620 -6.387 662 HA3 GLY 23 HA3 GLY 23 15.100 8.498 -6.702 663 H GLU 24 H GLU 24 13.672 7.884 -3.574 664 HA GLU 24 HA GLU 24 14.572 5.063 -3.676 665 HB2 GLU 24 HB2 GLU 24 13.923 6.808 -1.262 666 HB3 GLU 24 HB3 GLU 24 14.555 5.167 -1.201 667 HG2 GLU 24 HG2 GLU 24 15.993 7.602 -2.287 668 HG3 GLU 24 HG3 GLU 24 16.306 6.807 -0.748 669 H THR 25 H THR 25 13.022 3.498 -3.854 670 HA THR 25 HA THR 25 10.197 4.023 -3.437 671 HB THR 25 HB THR 25 11.666 1.412 -3.999 672 HG1 THR 25 HG1 THR 25 11.159 1.741 -6.080 673 HG21 THR 25 HG21 THR 25 8.677 1.950 -4.074 674 HG22 THR 25 HG22 THR 25 9.506 0.937 -2.891 675 HG23 THR 25 HG23 THR 25 9.460 0.455 -4.586 676 H MET 26 H MET 26 9.080 3.657 -1.681 677 HA MET 26 HA MET 26 10.412 2.532 0.711 678 HB2 MET 26 HB2 MET 26 8.629 4.014 1.951 679 HB3 MET 26 HB3 MET 26 10.091 4.737 1.303 680 HG2 MET 26 HG2 MET 26 8.164 6.133 0.847 681 HG3 MET 26 HG3 MET 26 8.839 5.524 -0.664 682 HE1 MET 26 HE1 MET 26 6.523 3.709 1.969 683 HE2 MET 26 HE2 MET 26 4.955 4.152 1.301 684 HE3 MET 26 HE3 MET 26 6.038 5.402 1.903 685 H PHE 27 H PHE 27 7.599 2.107 -1.353 686 HA PHE 27 HA PHE 27 7.405 -0.513 -0.153 687 HB2 PHE 27 HB2 PHE 27 5.193 -0.591 0.612 688 HB3 PHE 27 HB3 PHE 27 5.695 0.995 1.157 689 HD1 PHE 27 HD1 PHE 27 4.780 3.005 0.018 690 HD2 PHE 27 HD2 PHE 27 3.371 -0.847 -1.026 691 HE1 PHE 27 HE1 PHE 27 2.849 4.051 -1.018 692 HE2 PHE 27 HE2 PHE 27 1.400 0.186 -2.097 693 HZ PHE 27 HZ PHE 27 1.130 2.638 -2.098 694 H SER 28 H SER 28 6.053 -1.957 -1.258 695 HA SER 28 HA SER 28 5.143 -1.241 -3.983 696 HB2 SER 28 HB2 SER 28 7.283 -2.591 -4.106 697 HB3 SER 28 HB3 SER 28 6.470 -3.898 -3.247 698 HG SER 28 HG SER 28 6.524 -3.928 -5.660 699 H SER 29 H SER 29 3.149 -2.207 -4.502 700 HA SER 29 HA SER 29 1.617 -3.163 -2.159 701 HB2 SER 29 HB2 SER 29 0.870 -1.023 -3.192 702 HB3 SER 29 HB3 SER 29 0.667 -1.838 -4.745 703 HG SER 29 HG SER 29 -0.771 -2.275 -2.338 704 H GLU 30 H GLU 30 -0.347 -4.544 -2.894 705 HA GLU 30 HA GLU 30 0.464 -6.685 -4.728 706 HB2 GLU 30 HB2 GLU 30 -2.129 -6.500 -3.140 707 HB3 GLU 30 HB3 GLU 30 -1.396 -7.934 -3.844 708 HG2 GLU 30 HG2 GLU 30 0.499 -7.654 -2.195 709 HG3 GLU 30 HG3 GLU 30 -0.428 -6.369 -1.439 710 H GLY 31 H GLY 31 -1.106 -3.717 -4.902 711 HA2 GLY 31 HA2 GLY 31 -2.056 -2.616 -6.672 712 HA3 GLY 31 HA3 GLY 31 -1.963 -4.090 -7.614 713 H TYR 32 H TYR 32 -3.529 -4.818 -4.823 714 HA TYR 32 HA TYR 32 -5.615 -5.006 -4.001 715 HB2 TYR 32 HB2 TYR 32 -5.968 -2.613 -4.476 716 HB3 TYR 32 HB3 TYR 32 -6.420 -2.982 -6.133 717 HD1 TYR 32 HD1 TYR 32 -7.516 -3.292 -2.585 718 HD2 TYR 32 HD2 TYR 32 -8.683 -3.661 -6.671 719 HE1 TYR 32 HE1 TYR 32 -9.874 -3.456 -1.904 720 HE2 TYR 32 HE2 TYR 32 -11.031 -3.819 -5.989 721 HH TYR 32 HH TYR 32 -12.112 -3.049 -2.889 722 H LYS 33 H LYS 33 -6.009 -4.810 -7.586 723 HA LYS 33 HA LYS 33 -6.712 -7.626 -7.747 724 HB2 LYS 33 HB2 LYS 33 -8.892 -6.681 -7.194 725 HB3 LYS 33 HB3 LYS 33 -8.727 -5.442 -8.427 726 HG2 LYS 33 HG2 LYS 33 -10.295 -7.189 -9.132 727 HG3 LYS 33 HG3 LYS 33 -8.895 -7.132 -10.204 728 HD2 LYS 33 HD2 LYS 33 -7.932 -9.097 -9.019 729 HD3 LYS 33 HD3 LYS 33 -9.353 -9.151 -7.973 730 HE2 LYS 33 HE2 LYS 33 -10.780 -9.627 -9.929 731 HE3 LYS 33 HE3 LYS 33 -9.372 -9.519 -10.990 732 HZ1 LYS 33 HZ1 LYS 33 -9.720 -11.507 -8.814 733 HZ2 LYS 33 HZ2 LYS 33 -8.415 -11.419 -9.881 734 HZ3 LYS 33 HZ3 LYS 33 -9.954 -11.812 -10.460 735 H ALA 34 H ALA 34 -6.539 -4.526 -9.499 736 HA ALA 34 HA ALA 34 -5.159 -5.722 -11.786 737 HB1 ALA 34 HB1 ALA 34 -7.892 -4.409 -12.100 738 HB2 ALA 34 HB2 ALA 34 -7.552 -6.127 -12.300 739 HB3 ALA 34 HB3 ALA 34 -6.851 -4.958 -13.419 740 H LYS 35 H LYS 35 -5.139 -3.569 -13.593 741 HA LYS 35 HA LYS 35 -3.529 -1.686 -12.187 742 HB2 LYS 35 HB2 LYS 35 -2.991 -2.322 -14.466 743 HB3 LYS 35 HB3 LYS 35 -4.575 -1.820 -15.037 744 HG2 LYS 35 HG2 LYS 35 -3.945 0.557 -14.399 745 HG3 LYS 35 HG3 LYS 35 -2.306 -0.034 -14.099 746 HD2 LYS 35 HD2 LYS 35 -2.102 -0.750 -16.434 747 HD3 LYS 35 HD3 LYS 35 -3.782 -0.311 -16.750 748 HE2 LYS 35 HE2 LYS 35 -1.524 1.606 -16.069 749 HE3 LYS 35 HE3 LYS 35 -2.271 1.389 -17.653 750 HZ1 LYS 35 HZ1 LYS 35 -3.498 2.531 -15.210 751 HZ2 LYS 35 HZ2 LYS 35 -4.405 2.089 -16.569 752 HZ3 LYS 35 HZ3 LYS 35 -3.229 3.296 -16.693 753 H ALA 36 H ALA 36 -6.736 -1.471 -13.821 754 HA ALA 36 HA ALA 36 -7.362 1.183 -13.243 755 HB1 ALA 36 HB1 ALA 36 -9.294 -1.156 -13.445 756 HB2 ALA 36 HB2 ALA 36 -8.701 -0.185 -14.792 757 HB3 ALA 36 HB3 ALA 36 -9.736 0.548 -13.565 758 H SER 37 H SER 37 -7.884 -1.727 -11.330 759 HA SER 37 HA SER 37 -9.192 -0.608 -9.091 760 HB2 SER 37 HB2 SER 37 -7.384 -3.053 -9.047 761 HB3 SER 37 HB3 SER 37 -8.818 -2.730 -8.068 762 HG SER 37 HG SER 37 -10.084 -2.995 -9.904 763 H ALA 38 H ALA 38 -5.835 -0.848 -10.041 764 HA ALA 38 HA ALA 38 -4.608 -0.245 -7.535 765 HB1 ALA 38 HB1 ALA 38 -2.532 0.083 -8.830 766 HB2 ALA 38 HB2 ALA 38 -3.447 0.023 -10.341 767 HB3 ALA 38 HB3 ALA 38 -3.352 -1.405 -9.313 768 H ILE 39 H ILE 39 -5.320 1.826 -10.499 769 HA ILE 39 HA ILE 39 -4.625 4.283 -9.481 770 HB ILE 39 HB ILE 39 -6.880 3.568 -11.419 771 HG12 ILE 39 HG12 ILE 39 -5.330 4.955 -13.014 772 HG13 ILE 39 HG13 ILE 39 -4.110 4.798 -11.761 773 HG21 ILE 39 HG21 ILE 39 -7.644 5.613 -10.305 774 HG22 ILE 39 HG22 ILE 39 -7.146 5.994 -11.952 775 HG23 ILE 39 HG23 ILE 39 -6.089 6.395 -10.597 776 HD11 ILE 39 HD11 ILE 39 -3.826 3.209 -13.563 777 HD12 ILE 39 HD12 ILE 39 -5.421 2.531 -13.238 778 HD13 ILE 39 HD13 ILE 39 -4.138 2.391 -12.032 779 H HIS 40 H HIS 40 -7.800 2.635 -9.125 780 HA HIS 40 HA HIS 40 -9.111 4.655 -7.670 781 HB2 HIS 40 HB2 HIS 40 -9.634 1.684 -7.967 782 HB3 HIS 40 HB3 HIS 40 -10.605 2.638 -6.846 783 HD1 HIS 40 HD1 HIS 40 -12.522 3.908 -7.816 784 HD2 HIS 40 HD2 HIS 40 -9.833 2.724 -10.746 785 HE1 HIS 40 HE1 HIS 40 -13.593 4.525 -9.996 786 HE2 HIS 40 HE2 HIS 40 -11.862 3.970 -11.735 787 H ALA 41 H ALA 41 -7.092 1.984 -6.558 788 HA ALA 41 HA ALA 41 -7.345 2.373 -3.792 789 HB1 ALA 41 HB1 ALA 41 -4.955 1.327 -5.368 790 HB2 ALA 41 HB2 ALA 41 -6.322 0.361 -4.807 791 HB3 ALA 41 HB3 ALA 41 -5.235 1.107 -3.636 792 H ILE 42 H ILE 42 -4.953 3.671 -6.128 793 HA ILE 42 HA ILE 42 -3.558 5.301 -4.314 794 HB ILE 42 HB ILE 42 -3.864 5.613 -7.321 795 HG12 ILE 42 HG12 ILE 42 -1.564 4.381 -5.733 796 HG13 ILE 42 HG13 ILE 42 -2.887 3.429 -6.390 797 HG21 ILE 42 HG21 ILE 42 -1.768 6.957 -7.231 798 HG22 ILE 42 HG22 ILE 42 -1.807 6.898 -5.468 799 HG23 ILE 42 HG23 ILE 42 -3.080 7.742 -6.353 800 HD11 ILE 42 HD11 ILE 42 -0.983 5.095 -7.991 801 HD12 ILE 42 HD12 ILE 42 -2.278 4.066 -8.618 802 HD13 ILE 42 HD13 ILE 42 -0.912 3.352 -7.764 803 H GLU 43 H GLU 43 -6.634 5.785 -5.868 804 HA GLU 43 HA GLU 43 -6.744 8.642 -5.649 805 HB2 GLU 43 HB2 GLU 43 -8.948 6.579 -5.993 806 HB3 GLU 43 HB3 GLU 43 -9.244 8.316 -5.969 807 HG2 GLU 43 HG2 GLU 43 -7.760 8.572 -7.952 808 HG3 GLU 43 HG3 GLU 43 -7.558 6.820 -7.999 809 H SER 44 H SER 44 -7.579 5.930 -3.514 810 HA SER 44 HA SER 44 -8.761 7.293 -1.360 811 HB2 SER 44 HB2 SER 44 -6.931 4.881 -1.501 812 HB3 SER 44 HB3 SER 44 -7.561 5.433 0.045 813 HG SER 44 HG SER 44 -9.089 4.684 -2.256 814 H ILE 45 H ILE 45 -5.375 7.015 -2.337 815 HA ILE 45 HA ILE 45 -4.272 7.907 0.127 816 HB ILE 45 HB ILE 45 -2.699 8.247 -2.462 817 HG12 ILE 45 HG12 ILE 45 -3.806 5.964 -2.575 818 HG13 ILE 45 HG13 ILE 45 -2.050 5.915 -2.537 819 HG21 ILE 45 HG21 ILE 45 -0.830 7.550 -0.981 820 HG22 ILE 45 HG22 ILE 45 -1.988 7.321 0.347 821 HG23 ILE 45 HG23 ILE 45 -1.705 8.937 -0.322 822 HD11 ILE 45 HD11 ILE 45 -2.996 4.169 -1.202 823 HD12 ILE 45 HD12 ILE 45 -3.913 5.332 -0.252 824 HD13 ILE 45 HD13 ILE 45 -2.149 5.310 -0.162 825 H LYS 46 H LYS 46 -5.059 9.447 -2.966 826 HA LYS 46 HA LYS 46 -4.103 12.009 -2.595 827 HB2 LYS 46 HB2 LYS 46 -6.257 10.800 -4.310 828 HB3 LYS 46 HB3 LYS 46 -6.172 12.548 -4.231 829 HG2 LYS 46 HG2 LYS 46 -5.038 11.713 -6.203 830 HG3 LYS 46 HG3 LYS 46 -3.906 12.529 -5.136 831 HD2 LYS 46 HD2 LYS 46 -4.147 9.516 -5.005 832 HD3 LYS 46 HD3 LYS 46 -3.252 10.249 -6.332 833 HE2 LYS 46 HE2 LYS 46 -2.663 10.599 -3.384 834 HE3 LYS 46 HE3 LYS 46 -1.754 9.601 -4.503 835 HZ1 LYS 46 HZ1 LYS 46 -1.295 11.622 -5.790 836 HZ2 LYS 46 HZ2 LYS 46 -0.654 11.665 -4.229 837 HZ3 LYS 46 HZ3 LYS 46 -2.055 12.536 -4.591 838 H ARG 47 H ARG 47 -6.919 10.596 -1.168 839 HA ARG 47 HA ARG 47 -8.482 12.971 -0.920 840 HB2 ARG 47 HB2 ARG 47 -8.717 10.308 0.521 841 HB3 ARG 47 HB3 ARG 47 -9.938 11.578 0.560 842 HG2 ARG 47 HG2 ARG 47 -9.007 10.166 -1.957 843 HG3 ARG 47 HG3 ARG 47 -10.450 9.732 -1.040 844 HD2 ARG 47 HD2 ARG 47 -9.960 12.447 -2.311 845 HD3 ARG 47 HD3 ARG 47 -10.940 11.162 -3.027 846 HE ARG 47 HE ARG 47 -11.983 11.562 -0.508 847 HH11 ARG 47 HH11 ARG 47 -11.540 13.642 -3.317 848 HH12 ARG 47 HH12 ARG 47 -12.954 14.583 -2.974 849 HH21 ARG 47 HH21 ARG 47 -13.790 12.816 -0.080 850 HH22 ARG 47 HH22 ARG 47 -14.229 14.113 -1.143 851 H ASN 48 H ASN 48 -6.394 11.259 1.379 852 HA ASN 48 HA ASN 48 -5.883 13.461 3.093 853 HB2 ASN 48 HB2 ASN 48 -8.394 13.122 3.555 854 HB3 ASN 48 HB3 ASN 48 -7.967 11.614 4.348 855 HD21 ASN 48 HD21 ASN 48 -7.681 15.095 4.464 856 HD22 ASN 48 HD22 ASN 48 -7.317 15.227 6.144 857 H SER 49 H SER 49 -4.772 10.789 1.989 858 HA SER 49 HA SER 49 -4.253 9.081 4.214 859 HB2 SER 49 HB2 SER 49 -4.179 8.302 1.879 860 HB3 SER 49 HB3 SER 49 -2.723 9.256 1.605 861 HG SER 49 HG SER 49 -2.831 6.817 2.455 862 H ALA 50 H ALA 50 -2.424 11.773 2.772 863 HA ALA 50 HA ALA 50 -0.110 11.627 4.275 864 HB1 ALA 50 HB1 ALA 50 0.128 14.042 3.884 865 HB2 ALA 50 HB2 ALA 50 -1.564 14.133 3.388 866 HB3 ALA 50 HB3 ALA 50 -0.415 13.199 2.429 867 H GLY 51 H GLY 51 -3.285 12.921 5.217 868 HA2 GLY 51 HA2 GLY 51 -2.330 13.620 7.909 869 HA3 GLY 51 HA3 GLY 51 -3.909 13.968 7.235 870 H ALA 52 H ALA 52 -3.307 10.766 6.542 871 HA ALA 52 HA ALA 52 -5.259 9.729 8.291 872 HB1 ALA 52 HB1 ALA 52 -4.612 7.516 7.404 873 HB2 ALA 52 HB2 ALA 52 -3.138 8.217 6.719 874 HB3 ALA 52 HB3 ALA 52 -4.720 8.715 6.114 875 H ASP 53 H ASP 53 -5.063 8.095 9.947 876 HA ASP 53 HA ASP 53 -2.872 8.525 11.802 877 HB2 ASP 53 HB2 ASP 53 -5.210 8.368 12.610 878 HB3 ASP 53 HB3 ASP 53 -5.329 6.735 11.973 879 H THR 54 H THR 54 -1.478 6.861 12.541 880 HA THR 54 HA THR 54 -1.184 4.506 10.757 881 HB THR 54 HB THR 54 1.007 5.871 12.387 882 HG1 THR 54 HG1 THR 54 -0.158 6.582 10.012 883 HG21 THR 54 HG21 THR 54 2.547 4.678 10.837 884 HG22 THR 54 HG22 THR 54 1.160 3.888 10.084 885 HG23 THR 54 HG23 THR 54 1.558 3.544 11.768 886 H VAL 55 H VAL 55 -2.222 2.875 11.825 887 HA VAL 55 HA VAL 55 -1.768 2.485 14.726 888 HB VAL 55 HB VAL 55 -4.145 2.738 14.137 889 HG11 VAL 55 HG11 VAL 55 -5.367 1.072 12.802 890 HG12 VAL 55 HG12 VAL 55 -3.850 0.258 12.409 891 HG13 VAL 55 HG13 VAL 55 -4.144 1.900 11.835 892 HG21 VAL 55 HG21 VAL 55 -5.028 0.731 15.275 893 HG22 VAL 55 HG22 VAL 55 -3.557 1.304 16.059 894 HG23 VAL 55 HG23 VAL 55 -3.500 -0.110 15.006 895 H ASP 56 H ASP 56 -0.623 0.817 15.396 896 HA ASP 56 HA ASP 56 0.207 -1.327 13.575 897 HB2 ASP 56 HB2 ASP 56 1.880 0.004 14.935 898 HB3 ASP 56 HB3 ASP 56 1.209 -0.727 16.387 899 H LEU 57 H LEU 57 -1.269 -2.916 13.522 900 HA LEU 57 HA LEU 57 -2.788 -3.870 15.767 901 HB2 LEU 57 HB2 LEU 57 -2.444 -4.956 12.948 902 HB3 LEU 57 HB3 LEU 57 -3.484 -5.707 14.146 903 HG LEU 57 HG LEU 57 -4.855 -4.402 12.642 904 HD11 LEU 57 HD11 LEU 57 -4.669 -2.907 15.273 905 HD12 LEU 57 HD12 LEU 57 -5.566 -4.404 14.996 906 HD13 LEU 57 HD13 LEU 57 -6.041 -2.927 14.156 907 HD21 LEU 57 HD21 LEU 57 -4.622 -1.992 12.334 908 HD22 LEU 57 HD22 LEU 57 -3.179 -2.848 11.797 909 HD23 LEU 57 HD23 LEU 57 -3.169 -1.987 13.340 910 H THR 58 H THR 58 0.423 -4.575 14.631 911 HA THR 58 HA THR 58 0.372 -7.351 15.610 912 HB THR 58 HB THR 58 1.440 -7.058 13.447 913 HG1 THR 58 HG1 THR 58 2.400 -8.715 14.456 914 HG21 THR 58 HG21 THR 58 2.269 -4.739 13.651 915 HG22 THR 58 HG22 THR 58 3.528 -5.844 13.100 916 HG23 THR 58 HG23 THR 58 3.515 -5.286 14.776 917 H THR 59 H THR 59 0.480 -4.603 17.233 918 HA THR 59 HA THR 59 2.630 -5.161 19.118 919 HB THR 59 HB THR 59 1.208 -3.438 20.551 920 HG1 THR 59 HG1 THR 59 0.228 -2.544 18.080 921 HG21 THR 59 HG21 THR 59 3.356 -2.798 19.503 922 HG22 THR 59 HG22 THR 59 2.178 -1.489 19.405 923 HG23 THR 59 HG23 THR 59 2.520 -2.474 17.983 924 H MET 60 H MET 60 -0.655 -6.056 18.513 925 HA MET 60 HA MET 60 -0.791 -7.660 20.997 926 HB2 MET 60 HB2 MET 60 -2.517 -5.827 20.883 927 HB3 MET 60 HB3 MET 60 -3.122 -6.512 19.382 928 HG2 MET 60 HG2 MET 60 -3.736 -8.578 20.593 929 HG3 MET 60 HG3 MET 60 -3.168 -7.854 22.096 930 HE1 MET 60 HE1 MET 60 -4.192 -4.764 21.549 931 HE2 MET 60 HE2 MET 60 -4.285 -5.574 23.114 932 HE3 MET 60 HE3 MET 60 -5.721 -4.819 22.423 933 H THR 61 H THR 61 0.434 -9.256 19.823 934 HA THR 61 HA THR 61 -1.167 -10.854 17.910 935 HB THR 61 HB THR 61 0.974 -12.117 17.495 936 HG1 THR 61 HG1 THR 61 2.354 -11.813 19.120 937 HG21 THR 61 HG21 THR 61 0.353 -10.269 15.973 938 HG22 THR 61 HG22 THR 61 2.104 -10.389 16.157 939 HG23 THR 61 HG23 THR 61 1.216 -9.126 17.008 940 H ALA 62 H ALA 62 -2.314 -12.399 18.846 941 HA ALA 62 HA ALA 62 -1.240 -14.220 20.822 942 HB1 ALA 62 HB1 ALA 62 -2.990 -13.818 22.522 943 HB2 ALA 62 HB2 ALA 62 -3.632 -12.478 21.570 944 HB3 ALA 62 HB3 ALA 62 -2.018 -12.365 22.275 Start of MODEL 3 1 H MET 1 H MET 1 -11.605 8.936 11.485 2 HA MET 1 HA MET 1 -12.145 9.049 8.581 3 HB2 MET 1 HB2 MET 1 -10.982 11.089 9.432 4 HB3 MET 1 HB3 MET 1 -9.758 10.083 10.189 5 HG2 MET 1 HG2 MET 1 -9.053 9.290 7.942 6 HG3 MET 1 HG3 MET 1 -10.255 10.346 7.213 7 HE1 MET 1 HE1 MET 1 -6.686 12.019 9.632 8 HE2 MET 1 HE2 MET 1 -7.043 10.297 9.520 9 HE3 MET 1 HE3 MET 1 -8.138 11.372 10.394 10 H TYR 2 H TYR 2 -10.747 7.708 7.312 11 HA TYR 2 HA TYR 2 -10.056 5.169 8.335 12 HB2 TYR 2 HB2 TYR 2 -8.865 4.922 6.072 13 HB3 TYR 2 HB3 TYR 2 -10.595 5.214 6.065 14 HD1 TYR 2 HD1 TYR 2 -7.644 7.599 6.243 15 HD2 TYR 2 HD2 TYR 2 -11.132 6.375 4.111 16 HE1 TYR 2 HE1 TYR 2 -7.311 9.419 4.628 17 HE2 TYR 2 HE2 TYR 2 -10.791 8.181 2.506 18 HH TYR 2 HH TYR 2 -9.707 10.331 2.399 19 H LYS 3 H LYS 3 -7.743 4.263 7.714 20 HA LYS 3 HA LYS 3 -5.507 5.803 8.558 21 HB2 LYS 3 HB2 LYS 3 -5.182 4.463 10.764 22 HB3 LYS 3 HB3 LYS 3 -6.317 5.796 10.777 23 HG2 LYS 3 HG2 LYS 3 -7.330 4.054 12.022 24 HG3 LYS 3 HG3 LYS 3 -8.179 4.094 10.475 25 HD2 LYS 3 HD2 LYS 3 -6.877 2.139 9.703 26 HD3 LYS 3 HD3 LYS 3 -5.980 2.131 11.227 27 HE2 LYS 3 HE2 LYS 3 -8.962 1.665 10.912 28 HE3 LYS 3 HE3 LYS 3 -7.747 0.430 11.244 29 HZ1 LYS 3 HZ1 LYS 3 -8.540 2.668 13.012 30 HZ2 LYS 3 HZ2 LYS 3 -7.237 1.639 13.321 31 HZ3 LYS 3 HZ3 LYS 3 -8.804 1.018 13.265 32 H PHE 4 H PHE 4 -3.692 4.192 9.305 33 HA PHE 4 HA PHE 4 -3.472 2.040 7.310 34 HB2 PHE 4 HB2 PHE 4 -1.332 3.426 9.000 35 HB3 PHE 4 HB3 PHE 4 -1.021 2.179 7.797 36 HD1 PHE 4 HD1 PHE 4 -1.928 5.726 8.314 37 HD2 PHE 4 HD2 PHE 4 -1.125 2.688 5.407 38 HE1 PHE 4 HE1 PHE 4 -1.684 7.448 6.576 39 HE2 PHE 4 HE2 PHE 4 -0.886 4.416 3.678 40 HZ PHE 4 HZ PHE 4 -1.163 6.790 4.261 41 H GLU 5 H GLU 5 -3.801 0.029 8.044 42 HA GLU 5 HA GLU 5 -3.437 -0.625 10.897 43 HB2 GLU 5 HB2 GLU 5 -4.839 -2.125 8.649 44 HB3 GLU 5 HB3 GLU 5 -4.525 -2.853 10.222 45 HG2 GLU 5 HG2 GLU 5 -5.846 -0.990 11.267 46 HG3 GLU 5 HG3 GLU 5 -6.261 -0.433 9.641 47 H ILE 6 H ILE 6 -1.459 -1.311 11.441 48 HA ILE 6 HA ILE 6 0.265 -2.689 9.474 49 HB ILE 6 HB ILE 6 1.034 -1.429 12.154 50 HG12 ILE 6 HG12 ILE 6 1.585 -0.234 9.398 51 HG13 ILE 6 HG13 ILE 6 0.198 0.225 10.380 52 HG21 ILE 6 HG21 ILE 6 3.370 -1.694 11.387 53 HG22 ILE 6 HG22 ILE 6 2.811 -2.431 9.885 54 HG23 ILE 6 HG23 ILE 6 2.542 -3.260 11.422 55 HD11 ILE 6 HD11 ILE 6 2.007 1.806 10.598 56 HD12 ILE 6 HD12 ILE 6 3.085 0.533 11.159 57 HD13 ILE 6 HD13 ILE 6 1.693 1.008 12.138 58 H TYR 7 H TYR 7 0.248 -4.816 9.753 59 HA TYR 7 HA TYR 7 0.245 -5.987 12.439 60 HB2 TYR 7 HB2 TYR 7 -1.469 -7.651 11.771 61 HB3 TYR 7 HB3 TYR 7 -2.117 -6.015 11.746 62 HD1 TYR 7 HD1 TYR 7 -2.432 -4.835 9.517 63 HD2 TYR 7 HD2 TYR 7 -1.432 -8.988 9.737 64 HE1 TYR 7 HE1 TYR 7 -3.129 -5.131 7.184 65 HE2 TYR 7 HE2 TYR 7 -2.132 -9.269 7.399 66 HH TYR 7 HH TYR 7 -3.477 -8.257 5.748 67 H GLN 8 H GLN 8 0.562 -8.472 12.083 68 HA GLN 8 HA GLN 8 2.175 -9.015 9.668 69 HB2 GLN 8 HB2 GLN 8 3.711 -10.387 10.768 70 HB3 GLN 8 HB3 GLN 8 3.474 -9.114 11.962 71 HG2 GLN 8 HG2 GLN 8 1.998 -10.552 13.259 72 HG3 GLN 8 HG3 GLN 8 2.031 -11.776 12.015 73 HE21 GLN 8 HE21 GLN 8 5.079 -10.329 12.600 74 HE22 GLN 8 HE22 GLN 8 5.737 -11.564 13.585 75 H ASP 9 H ASP 9 1.943 -11.076 8.848 76 HA ASP 9 HA ASP 9 -0.627 -12.340 9.125 77 HB2 ASP 9 HB2 ASP 9 0.212 -11.822 6.870 78 HB3 ASP 9 HB3 ASP 9 1.717 -12.676 7.189 79 H LYS 10 H LYS 10 -0.753 -14.659 9.372 80 HA LYS 10 HA LYS 10 0.423 -15.846 11.511 81 HB2 LYS 10 HB2 LYS 10 -0.289 -18.101 10.329 82 HB3 LYS 10 HB3 LYS 10 -1.499 -16.921 10.798 83 HG2 LYS 10 HG2 LYS 10 -2.219 -17.545 8.678 84 HG3 LYS 10 HG3 LYS 10 -1.346 -16.052 8.364 85 HD2 LYS 10 HD2 LYS 10 -0.788 -17.620 6.636 86 HD3 LYS 10 HD3 LYS 10 0.636 -17.414 7.657 87 HE2 LYS 10 HE2 LYS 10 0.170 -19.547 8.776 88 HE3 LYS 10 HE3 LYS 10 -1.316 -19.740 7.838 89 HZ1 LYS 10 HZ1 LYS 10 0.489 -21.032 6.907 90 HZ2 LYS 10 HZ2 LYS 10 1.438 -19.646 6.731 91 HZ3 LYS 10 HZ3 LYS 10 0.026 -19.822 5.820 92 H ALA 11 H ALA 11 1.722 -15.797 8.279 93 HA ALA 11 HA ALA 11 3.870 -17.685 8.639 94 HB1 ALA 11 HB1 ALA 11 3.535 -15.517 6.531 95 HB2 ALA 11 HB2 ALA 11 2.941 -17.173 6.410 96 HB3 ALA 11 HB3 ALA 11 4.677 -16.864 6.454 97 H GLY 12 H GLY 12 3.535 -14.889 10.297 98 HA2 GLY 12 HA2 GLY 12 4.847 -13.424 11.404 99 HA3 GLY 12 HA3 GLY 12 6.218 -14.432 11.006 100 H GLU 13 H GLU 13 4.000 -12.832 8.779 101 HA GLU 13 HA GLU 13 6.312 -11.365 7.562 102 HB2 GLU 13 HB2 GLU 13 3.740 -12.362 6.251 103 HB3 GLU 13 HB3 GLU 13 4.986 -11.419 5.434 104 HG2 GLU 13 HG2 GLU 13 5.326 -14.203 6.588 105 HG3 GLU 13 HG3 GLU 13 5.134 -13.799 4.882 106 H TYR 14 H TYR 14 6.085 -9.125 7.274 107 HA TYR 14 HA TYR 14 3.909 -7.952 8.861 108 HB2 TYR 14 HB2 TYR 14 6.549 -6.772 7.895 109 HB3 TYR 14 HB3 TYR 14 5.291 -5.806 8.674 110 HD1 TYR 14 HD1 TYR 14 4.654 -6.252 11.048 111 HD2 TYR 14 HD2 TYR 14 7.933 -8.307 9.223 112 HE1 TYR 14 HE1 TYR 14 5.423 -6.992 13.257 113 HE2 TYR 14 HE2 TYR 14 8.685 -9.052 11.443 114 HH TYR 14 HH TYR 14 8.466 -8.419 13.764 115 H ARG 15 H ARG 15 2.293 -6.980 7.974 116 HA ARG 15 HA ARG 15 2.381 -5.941 5.205 117 HB2 ARG 15 HB2 ARG 15 0.193 -7.663 6.453 118 HB3 ARG 15 HB3 ARG 15 -0.189 -6.535 5.163 119 HG2 ARG 15 HG2 ARG 15 0.044 -8.647 4.125 120 HG3 ARG 15 HG3 ARG 15 1.505 -7.752 3.721 121 HD2 ARG 15 HD2 ARG 15 2.655 -8.999 5.619 122 HD3 ARG 15 HD3 ARG 15 1.206 -9.996 5.737 123 HE ARG 15 HE ARG 15 1.689 -10.955 3.654 124 HH11 ARG 15 HH11 ARG 15 4.176 -8.626 4.533 125 HH12 ARG 15 HH12 ARG 15 5.309 -9.210 3.361 126 HH21 ARG 15 HH21 ARG 15 3.190 -11.693 2.101 127 HH22 ARG 15 HH22 ARG 15 4.758 -10.954 1.988 128 H PHE 16 H PHE 16 1.734 -3.830 5.128 129 HA PHE 16 HA PHE 16 -0.154 -2.913 7.208 130 HB2 PHE 16 HB2 PHE 16 0.737 -0.636 7.058 131 HB3 PHE 16 HB3 PHE 16 1.966 -1.762 7.588 132 HD1 PHE 16 HD1 PHE 16 0.864 0.366 4.732 133 HD2 PHE 16 HD2 PHE 16 4.031 -2.009 6.357 134 HE1 PHE 16 HE1 PHE 16 2.428 1.319 3.092 135 HE2 PHE 16 HE2 PHE 16 5.587 -1.041 4.715 136 HZ PHE 16 HZ PHE 16 4.791 0.619 3.087 137 H ARG 17 H ARG 17 -1.980 -2.125 6.513 138 HA ARG 17 HA ARG 17 -2.461 -1.867 3.604 139 HB2 ARG 17 HB2 ARG 17 -4.724 -2.647 4.037 140 HB3 ARG 17 HB3 ARG 17 -3.607 -3.795 4.759 141 HG2 ARG 17 HG2 ARG 17 -4.035 -2.373 6.950 142 HG3 ARG 17 HG3 ARG 17 -5.493 -1.866 6.098 143 HD2 ARG 17 HD2 ARG 17 -4.710 -4.727 6.751 144 HD3 ARG 17 HD3 ARG 17 -5.914 -3.768 7.605 145 HE ARG 17 HE ARG 17 -7.162 -3.738 5.450 146 HH11 ARG 17 HH11 ARG 17 -4.906 -6.365 6.016 147 HH12 ARG 17 HH12 ARG 17 -5.860 -7.520 5.150 148 HH21 ARG 17 HH21 ARG 17 -8.387 -5.268 4.312 149 HH22 ARG 17 HH22 ARG 17 -7.823 -6.905 4.181 150 H PHE 18 H PHE 18 -4.171 -0.333 3.070 151 HA PHE 18 HA PHE 18 -4.556 1.850 5.049 152 HB2 PHE 18 HB2 PHE 18 -3.088 2.613 3.178 153 HB3 PHE 18 HB3 PHE 18 -4.339 2.158 2.029 154 HD1 PHE 18 HD1 PHE 18 -4.693 3.952 5.303 155 HD2 PHE 18 HD2 PHE 18 -4.927 4.208 1.044 156 HE1 PHE 18 HE1 PHE 18 -5.596 6.222 5.481 157 HE2 PHE 18 HE2 PHE 18 -5.807 6.490 1.224 158 HZ PHE 18 HZ PHE 18 -6.164 7.487 3.446 159 H LYS 19 H LYS 19 -6.574 2.445 5.373 160 HA LYS 19 HA LYS 19 -8.712 0.728 4.290 161 HB2 LYS 19 HB2 LYS 19 -8.535 2.423 6.832 162 HB3 LYS 19 HB3 LYS 19 -9.927 1.440 6.371 163 HG2 LYS 19 HG2 LYS 19 -7.129 0.381 6.943 164 HG3 LYS 19 HG3 LYS 19 -8.515 0.285 8.044 165 HD2 LYS 19 HD2 LYS 19 -8.498 -0.942 5.244 166 HD3 LYS 19 HD3 LYS 19 -8.040 -1.838 6.689 167 HE2 LYS 19 HE2 LYS 19 -10.719 -0.454 6.506 168 HE3 LYS 19 HE3 LYS 19 -10.483 -2.059 5.838 169 HZ1 LYS 19 HZ1 LYS 19 -9.894 -2.882 7.979 170 HZ2 LYS 19 HZ2 LYS 19 -11.346 -2.028 8.144 171 HZ3 LYS 19 HZ3 LYS 19 -9.891 -1.332 8.651 172 H ALA 20 H ALA 20 -10.926 1.993 4.594 173 HA ALA 20 HA ALA 20 -10.797 4.651 3.323 174 HB1 ALA 20 HB1 ALA 20 -12.590 2.368 2.418 175 HB2 ALA 20 HB2 ALA 20 -11.165 2.953 1.558 176 HB3 ALA 20 HB3 ALA 20 -12.569 4.003 1.749 177 H SER 21 H SER 21 -12.778 5.879 3.534 178 HA SER 21 HA SER 21 -13.856 6.138 6.020 179 HB2 SER 21 HB2 SER 21 -15.277 6.889 3.431 180 HB3 SER 21 HB3 SER 21 -15.502 7.644 5.010 181 HG SER 21 HG SER 21 -14.107 8.897 3.774 182 H ASN 22 H ASN 22 -15.142 4.097 3.412 183 HA ASN 22 HA ASN 22 -17.563 3.371 4.860 184 HB2 ASN 22 HB2 ASN 22 -18.125 2.037 2.922 185 HB3 ASN 22 HB3 ASN 22 -17.522 3.595 2.376 186 HD21 ASN 22 HD21 ASN 22 -16.967 0.184 2.442 187 HD22 ASN 22 HD22 ASN 22 -15.624 0.194 1.366 188 H GLY 23 H GLY 23 -14.427 2.462 5.223 189 HA2 GLY 23 HA2 GLY 23 -13.430 0.881 6.531 190 HA3 GLY 23 HA3 GLY 23 -14.992 0.133 6.802 191 H GLU 24 H GLU 24 -13.057 0.741 3.877 192 HA GLU 24 HA GLU 24 -12.848 -2.185 3.414 193 HB2 GLU 24 HB2 GLU 24 -13.147 -1.959 1.048 194 HB3 GLU 24 HB3 GLU 24 -14.486 -1.088 1.782 195 HG2 GLU 24 HG2 GLU 24 -13.413 1.049 1.316 196 HG3 GLU 24 HG3 GLU 24 -11.970 0.235 0.717 197 H THR 25 H THR 25 -10.895 -2.833 2.382 198 HA THR 25 HA THR 25 -8.629 -0.980 2.688 199 HB THR 25 HB THR 25 -8.696 -3.975 2.155 200 HG1 THR 25 HG1 THR 25 -9.455 -3.123 4.236 201 HG21 THR 25 HG21 THR 25 -6.335 -2.207 2.879 202 HG22 THR 25 HG22 THR 25 -6.579 -3.011 1.327 203 HG23 THR 25 HG23 THR 25 -6.300 -3.969 2.783 204 H MET 26 H MET 26 -7.270 -0.511 1.026 205 HA MET 26 HA MET 26 -8.236 -1.035 -1.731 206 HB2 MET 26 HB2 MET 26 -7.358 1.354 -2.202 207 HB3 MET 26 HB3 MET 26 -8.892 1.176 -1.364 208 HG2 MET 26 HG2 MET 26 -7.587 2.948 -0.366 209 HG3 MET 26 HG3 MET 26 -7.766 1.627 0.789 210 HE1 MET 26 HE1 MET 26 -5.418 3.446 -1.707 211 HE2 MET 26 HE2 MET 26 -5.310 1.789 -2.303 212 HE3 MET 26 HE3 MET 26 -3.914 2.548 -1.542 213 H PHE 27 H PHE 27 -5.314 -0.527 0.315 214 HA PHE 27 HA PHE 27 -4.002 -2.305 -1.619 215 HB2 PHE 27 HB2 PHE 27 -2.002 -1.147 -1.884 216 HB3 PHE 27 HB3 PHE 27 -3.168 0.155 -1.912 217 HD1 PHE 27 HD1 PHE 27 -0.455 -1.438 0.116 218 HD2 PHE 27 HD2 PHE 27 -3.054 1.906 -0.246 219 HE1 PHE 27 HE1 PHE 27 0.877 -0.192 1.773 220 HE2 PHE 27 HE2 PHE 27 -1.784 3.141 1.385 221 HZ PHE 27 HZ PHE 27 0.223 2.101 2.424 222 H SER 28 H SER 28 -2.588 -3.674 -0.870 223 HA SER 28 HA SER 28 -1.982 -3.824 2.025 224 HB2 SER 28 HB2 SER 28 -2.407 -6.175 0.110 225 HB3 SER 28 HB3 SER 28 -1.986 -6.286 1.821 226 HG SER 28 HG SER 28 -4.100 -6.407 1.997 227 H SER 29 H SER 29 0.212 -4.013 2.456 228 HA SER 29 HA SER 29 2.036 -3.872 0.123 229 HB2 SER 29 HB2 SER 29 1.941 -1.725 1.256 230 HB3 SER 29 HB3 SER 29 2.131 -2.478 2.835 231 HG SER 29 HG SER 29 4.065 -2.358 0.759 232 H GLU 30 H GLU 30 4.237 -4.581 0.667 233 HA GLU 30 HA GLU 30 4.246 -7.189 1.933 234 HB2 GLU 30 HB2 GLU 30 6.845 -6.908 1.170 235 HB3 GLU 30 HB3 GLU 30 5.567 -7.428 0.095 236 HG2 GLU 30 HG2 GLU 30 6.934 -5.847 -1.051 237 HG3 GLU 30 HG3 GLU 30 5.358 -5.126 -0.788 238 H GLY 31 H GLY 31 4.486 -4.196 3.236 239 HA2 GLY 31 HA2 GLY 31 4.848 -3.655 5.463 240 HA3 GLY 31 HA3 GLY 31 5.578 -5.229 5.720 241 H TYR 32 H TYR 32 7.145 -4.257 3.163 242 HA TYR 32 HA TYR 32 8.958 -3.202 2.485 243 HB2 TYR 32 HB2 TYR 32 8.062 -1.194 3.817 244 HB3 TYR 32 HB3 TYR 32 9.163 -1.672 5.103 245 HD1 TYR 32 HD1 TYR 32 9.873 -1.838 1.443 246 HD2 TYR 32 HD2 TYR 32 10.621 0.253 5.091 247 HE1 TYR 32 HE1 TYR 32 11.627 -0.541 0.338 248 HE2 TYR 32 HE2 TYR 32 12.387 1.543 3.977 249 HH TYR 32 HH TYR 32 12.813 1.496 0.579 250 H LYS 33 H LYS 33 9.284 -4.063 5.955 251 HA LYS 33 HA LYS 33 11.081 -6.209 5.384 252 HB2 LYS 33 HB2 LYS 33 12.687 -4.304 5.238 253 HB3 LYS 33 HB3 LYS 33 12.234 -3.783 6.853 254 HG2 LYS 33 HG2 LYS 33 14.367 -4.947 6.915 255 HG3 LYS 33 HG3 LYS 33 13.152 -5.882 7.794 256 HD2 LYS 33 HD2 LYS 33 12.871 -7.338 5.763 257 HD3 LYS 33 HD3 LYS 33 14.156 -6.424 4.966 258 HE2 LYS 33 HE2 LYS 33 14.454 -8.076 7.494 259 HE3 LYS 33 HE3 LYS 33 15.010 -8.528 5.883 260 HZ1 LYS 33 HZ1 LYS 33 16.811 -7.654 7.207 261 HZ2 LYS 33 HZ2 LYS 33 15.971 -6.206 7.455 262 HZ3 LYS 33 HZ3 LYS 33 16.488 -6.623 5.903 263 H ALA 34 H ALA 34 10.181 -3.951 7.993 264 HA ALA 34 HA ALA 34 9.235 -6.118 9.730 265 HB1 ALA 34 HB1 ALA 34 11.649 -5.959 10.252 266 HB2 ALA 34 HB2 ALA 34 10.677 -5.393 11.607 267 HB3 ALA 34 HB3 ALA 34 11.482 -4.227 10.556 268 H LYS 35 H LYS 35 8.734 -4.632 12.077 269 HA LYS 35 HA LYS 35 6.588 -2.957 11.348 270 HB2 LYS 35 HB2 LYS 35 6.568 -4.146 13.484 271 HB3 LYS 35 HB3 LYS 35 8.043 -3.329 13.998 272 HG2 LYS 35 HG2 LYS 35 6.801 -1.153 13.920 273 HG3 LYS 35 HG3 LYS 35 5.327 -2.046 13.552 274 HD2 LYS 35 HD2 LYS 35 5.291 -3.061 15.720 275 HD3 LYS 35 HD3 LYS 35 6.945 -2.546 16.074 276 HE2 LYS 35 HE2 LYS 35 6.256 -0.213 16.154 277 HE3 LYS 35 HE3 LYS 35 4.626 -0.636 15.633 278 HZ1 LYS 35 HZ1 LYS 35 5.859 -1.534 18.169 279 HZ2 LYS 35 HZ2 LYS 35 4.259 -1.774 17.674 280 HZ3 LYS 35 HZ3 LYS 35 4.812 -0.213 18.018 281 H ALA 36 H ALA 36 9.844 -2.250 12.663 282 HA ALA 36 HA ALA 36 9.733 0.515 12.843 283 HB1 ALA 36 HB1 ALA 36 11.621 -0.820 13.700 284 HB2 ALA 36 HB2 ALA 36 12.194 0.494 12.673 285 HB3 ALA 36 HB3 ALA 36 12.147 -1.156 12.050 286 H SER 37 H SER 37 10.561 -1.497 10.054 287 HA SER 37 HA SER 37 11.091 0.631 8.221 288 HB2 SER 37 HB2 SER 37 10.397 -2.267 7.597 289 HB3 SER 37 HB3 SER 37 11.238 -1.126 6.547 290 HG SER 37 HG SER 37 12.868 -1.042 8.251 291 H ALA 38 H ALA 38 8.232 -1.130 9.234 292 HA ALA 38 HA ALA 38 6.527 -0.575 7.040 293 HB1 ALA 38 HB1 ALA 38 4.676 -1.269 8.514 294 HB2 ALA 38 HB2 ALA 38 5.754 -1.214 9.914 295 HB3 ALA 38 HB3 ALA 38 6.033 -2.393 8.633 296 H ILE 39 H ILE 39 6.639 0.955 10.339 297 HA ILE 39 HA ILE 39 4.907 3.078 9.785 298 HB ILE 39 HB ILE 39 7.151 2.886 11.847 299 HG12 ILE 39 HG12 ILE 39 5.128 2.910 13.470 300 HG13 ILE 39 HG13 ILE 39 4.114 2.670 12.056 301 HG21 ILE 39 HG21 ILE 39 6.234 4.935 12.949 302 HG22 ILE 39 HG22 ILE 39 5.180 5.187 11.556 303 HG23 ILE 39 HG23 ILE 39 6.930 5.267 11.363 304 HD11 ILE 39 HD11 ILE 39 5.224 0.536 11.639 305 HD12 ILE 39 HD12 ILE 39 4.503 0.608 13.248 306 HD13 ILE 39 HD13 ILE 39 6.247 0.796 13.054 307 H HIS 40 H HIS 40 8.502 2.952 9.552 308 HA HIS 40 HA HIS 40 8.945 5.631 8.822 309 HB2 HIS 40 HB2 HIS 40 10.552 3.109 8.355 310 HB3 HIS 40 HB3 HIS 40 11.092 4.632 7.662 311 HD1 HIS 40 HD1 HIS 40 12.911 5.536 9.053 312 HD2 HIS 40 HD2 HIS 40 9.972 3.766 11.392 313 HE1 HIS 40 HE1 HIS 40 13.661 5.843 11.423 314 HE2 HIS 40 HE2 HIS 40 11.770 4.951 12.813 315 H ALA 41 H ALA 41 8.223 2.793 6.772 316 HA ALA 41 HA ALA 41 8.328 4.019 4.262 317 HB1 ALA 41 HB1 ALA 41 6.484 1.779 5.202 318 HB2 ALA 41 HB2 ALA 41 8.113 1.571 4.556 319 HB3 ALA 41 HB3 ALA 41 6.828 2.198 3.520 320 H ILE 42 H ILE 42 5.542 3.527 6.453 321 HA ILE 42 HA ILE 42 3.633 4.991 5.031 322 HB ILE 42 HB ILE 42 3.823 4.426 8.014 323 HG12 ILE 42 HG12 ILE 42 2.162 2.999 5.878 324 HG13 ILE 42 HG13 ILE 42 3.746 2.447 6.412 325 HG21 ILE 42 HG21 ILE 42 1.387 5.370 6.448 326 HG22 ILE 42 HG22 ILE 42 2.273 6.306 7.652 327 HG23 ILE 42 HG23 ILE 42 1.389 4.863 8.140 328 HD11 ILE 42 HD11 ILE 42 1.927 1.231 7.454 329 HD12 ILE 42 HD12 ILE 42 1.331 2.720 8.184 330 HD13 ILE 42 HD13 ILE 42 2.919 2.082 8.634 331 H GLU 43 H GLU 43 6.250 6.138 7.028 332 HA GLU 43 HA GLU 43 5.218 8.717 7.651 333 HB2 GLU 43 HB2 GLU 43 8.083 7.708 7.588 334 HB3 GLU 43 HB3 GLU 43 7.641 9.329 8.119 335 HG2 GLU 43 HG2 GLU 43 6.742 6.733 9.403 336 HG3 GLU 43 HG3 GLU 43 8.006 7.794 10.006 337 H SER 44 H SER 44 7.000 7.398 4.866 338 HA SER 44 HA SER 44 7.315 9.718 3.332 339 HB2 SER 44 HB2 SER 44 6.541 6.899 2.543 340 HB3 SER 44 HB3 SER 44 6.691 8.159 1.322 341 HG SER 44 HG SER 44 8.851 8.330 1.794 342 H ILE 45 H ILE 45 4.339 7.855 3.940 343 HA ILE 45 HA ILE 45 2.821 9.035 1.844 344 HB ILE 45 HB ILE 45 1.395 7.842 4.281 345 HG12 ILE 45 HG12 ILE 45 3.321 6.259 3.616 346 HG13 ILE 45 HG13 ILE 45 1.707 5.566 3.562 347 HG21 ILE 45 HG21 ILE 45 -0.164 7.051 2.519 348 HG22 ILE 45 HG22 ILE 45 0.887 7.772 1.281 349 HG23 ILE 45 HG23 ILE 45 0.066 8.802 2.467 350 HD11 ILE 45 HD11 ILE 45 3.044 4.849 1.694 351 HD12 ILE 45 HD12 ILE 45 3.315 6.519 1.208 352 HD13 ILE 45 HD13 ILE 45 1.692 5.825 1.129 353 H LYS 46 H LYS 46 3.194 9.629 5.316 354 HA LYS 46 HA LYS 46 1.141 11.423 5.755 355 HB2 LYS 46 HB2 LYS 46 3.750 11.580 7.304 356 HB3 LYS 46 HB3 LYS 46 2.110 11.843 7.883 357 HG2 LYS 46 HG2 LYS 46 3.523 9.229 7.338 358 HG3 LYS 46 HG3 LYS 46 2.791 9.787 8.843 359 HD2 LYS 46 HD2 LYS 46 1.281 9.023 6.309 360 HD3 LYS 46 HD3 LYS 46 1.475 8.000 7.732 361 HE2 LYS 46 HE2 LYS 46 0.218 10.730 7.967 362 HE3 LYS 46 HE3 LYS 46 -0.709 9.338 7.433 363 HZ1 LYS 46 HZ1 LYS 46 -0.865 9.666 9.817 364 HZ2 LYS 46 HZ2 LYS 46 0.811 9.497 9.969 365 HZ3 LYS 46 HZ3 LYS 46 -0.127 8.190 9.455 366 H ARG 47 H ARG 47 4.058 11.973 4.129 367 HA ARG 47 HA ARG 47 4.428 14.739 4.870 368 HB2 ARG 47 HB2 ARG 47 5.799 13.150 2.669 369 HB3 ARG 47 HB3 ARG 47 6.339 14.702 3.316 370 HG2 ARG 47 HG2 ARG 47 6.279 12.020 4.720 371 HG3 ARG 47 HG3 ARG 47 7.698 12.971 4.284 372 HD2 ARG 47 HD2 ARG 47 7.216 14.609 5.977 373 HD3 ARG 47 HD3 ARG 47 5.607 13.940 6.268 374 HE ARG 47 HE ARG 47 8.064 12.411 6.853 375 HH11 ARG 47 HH11 ARG 47 4.962 13.666 7.946 376 HH12 ARG 47 HH12 ARG 47 5.028 12.818 9.458 377 HH21 ARG 47 HH21 ARG 47 8.113 11.298 8.824 378 HH22 ARG 47 HH22 ARG 47 6.793 11.452 9.939 379 H ASN 48 H ASN 48 3.678 13.212 1.703 380 HA ASN 48 HA ASN 48 2.128 15.526 0.838 381 HB2 ASN 48 HB2 ASN 48 4.615 16.154 0.543 382 HB3 ASN 48 HB3 ASN 48 4.683 14.946 -0.731 383 HD21 ASN 48 HD21 ASN 48 3.600 15.364 -2.687 384 HD22 ASN 48 HD22 ASN 48 3.034 16.939 -3.110 385 H SER 49 H SER 49 2.043 12.423 1.000 386 HA SER 49 HA SER 49 2.079 11.402 -1.663 387 HB2 SER 49 HB2 SER 49 2.381 10.016 0.373 388 HB3 SER 49 HB3 SER 49 0.676 10.231 0.755 389 HG SER 49 HG SER 49 1.853 8.511 -0.956 390 H ALA 50 H ALA 50 -0.563 12.623 0.389 391 HA ALA 50 HA ALA 50 -2.724 12.122 -1.304 392 HB1 ALA 50 HB1 ALA 50 -2.356 14.485 0.566 393 HB2 ALA 50 HB2 ALA 50 -2.962 12.891 1.023 394 HB3 ALA 50 HB3 ALA 50 -3.893 13.904 -0.085 395 H GLY 51 H GLY 51 -0.223 14.547 -1.544 396 HA2 GLY 51 HA2 GLY 51 -1.489 15.790 -3.917 397 HA3 GLY 51 HA3 GLY 51 -0.166 16.459 -2.976 398 H ALA 52 H ALA 52 0.720 13.340 -3.254 399 HA ALA 52 HA ALA 52 2.784 13.759 -5.140 400 HB1 ALA 52 HB1 ALA 52 2.967 12.112 -3.318 401 HB2 ALA 52 HB2 ALA 52 3.233 11.330 -4.876 402 HB3 ALA 52 HB3 ALA 52 1.681 11.137 -4.041 403 H ASP 53 H ASP 53 2.971 13.146 -7.319 404 HA ASP 53 HA ASP 53 0.560 13.020 -8.828 405 HB2 ASP 53 HB2 ASP 53 2.689 14.116 -9.600 406 HB3 ASP 53 HB3 ASP 53 3.411 12.524 -9.791 407 H THR 54 H THR 54 -0.126 11.285 -10.248 408 HA THR 54 HA THR 54 0.689 8.568 -9.377 409 HB THR 54 HB THR 54 -2.042 9.443 -10.431 410 HG1 THR 54 HG1 THR 54 -1.002 9.114 -7.803 411 HG21 THR 54 HG21 THR 54 -1.600 7.038 -10.850 412 HG22 THR 54 HG22 THR 54 -2.830 7.237 -9.593 413 HG23 THR 54 HG23 THR 54 -1.174 6.815 -9.155 414 H VAL 55 H VAL 55 2.132 7.965 -10.866 415 HA VAL 55 HA VAL 55 1.707 8.446 -13.753 416 HB VAL 55 HB VAL 55 4.233 7.336 -12.440 417 HG11 VAL 55 HG11 VAL 55 5.346 8.038 -14.532 418 HG12 VAL 55 HG12 VAL 55 3.802 8.611 -15.169 419 HG13 VAL 55 HG13 VAL 55 4.042 6.893 -14.851 420 HG21 VAL 55 HG21 VAL 55 5.193 9.619 -12.576 421 HG22 VAL 55 HG22 VAL 55 3.827 9.536 -11.467 422 HG23 VAL 55 HG23 VAL 55 3.617 10.249 -13.067 423 H ASP 56 H ASP 56 1.003 6.795 -14.996 424 HA ASP 56 HA ASP 56 1.294 4.001 -14.076 425 HB2 ASP 56 HB2 ASP 56 -1.015 4.765 -14.638 426 HB3 ASP 56 HB3 ASP 56 -0.494 5.101 -16.289 427 H LEU 57 H LEU 57 3.108 3.135 -14.777 428 HA LEU 57 HA LEU 57 4.450 3.788 -17.250 429 HB2 LEU 57 HB2 LEU 57 5.025 1.789 -15.032 430 HB3 LEU 57 HB3 LEU 57 6.071 1.999 -16.426 431 HG LEU 57 HG LEU 57 6.630 4.291 -15.706 432 HD11 LEU 57 HD11 LEU 57 4.563 4.968 -14.574 433 HD12 LEU 57 HD12 LEU 57 5.953 5.186 -13.515 434 HD13 LEU 57 HD13 LEU 57 4.871 3.810 -13.280 435 HD21 LEU 57 HD21 LEU 57 7.982 2.411 -14.904 436 HD22 LEU 57 HD22 LEU 57 6.938 2.259 -13.489 437 HD23 LEU 57 HD23 LEU 57 7.930 3.705 -13.703 438 H THR 58 H THR 58 2.029 1.463 -16.361 439 HA THR 58 HA THR 58 3.017 -0.605 -18.227 440 HB THR 58 HB THR 58 2.492 -1.429 -16.004 441 HG1 THR 58 HG1 THR 58 0.616 -2.356 -17.927 442 HG21 THR 58 HG21 THR 58 -0.378 -0.582 -16.429 443 HG22 THR 58 HG22 THR 58 0.755 0.184 -15.315 444 HG23 THR 58 HG23 THR 58 0.253 -1.490 -15.060 445 H THR 59 H THR 59 1.423 2.079 -18.723 446 HA THR 59 HA THR 59 -0.648 1.113 -20.522 447 HB THR 59 HB THR 59 -0.286 3.669 -21.374 448 HG1 THR 59 HG1 THR 59 0.429 4.006 -18.665 449 HG21 THR 59 HG21 THR 59 -1.674 2.993 -18.756 450 HG22 THR 59 HG22 THR 59 -2.381 2.836 -20.364 451 HG23 THR 59 HG23 THR 59 -1.967 4.432 -19.739 452 H MET 60 H MET 60 2.658 0.961 -20.571 453 HA MET 60 HA MET 60 3.163 1.100 -23.387 454 HB2 MET 60 HB2 MET 60 5.018 1.176 -21.769 455 HB3 MET 60 HB3 MET 60 4.575 -0.401 -21.131 456 HG2 MET 60 HG2 MET 60 5.146 -1.418 -23.329 457 HG3 MET 60 HG3 MET 60 5.664 0.169 -23.904 458 HE1 MET 60 HE1 MET 60 8.049 -0.851 -24.572 459 HE2 MET 60 HE2 MET 60 7.513 -2.437 -24.013 460 HE3 MET 60 HE3 MET 60 9.050 -1.777 -23.454 461 H THR 61 H THR 61 2.059 -1.397 -21.129 462 HA THR 61 HA THR 61 2.041 -3.501 -23.173 463 HB THR 61 HB THR 61 1.418 -5.019 -21.285 464 HG1 THR 61 HG1 THR 61 1.280 -4.192 -19.190 465 HG21 THR 61 HG21 THR 61 3.825 -4.636 -21.711 466 HG22 THR 61 HG22 THR 61 3.517 -4.860 -19.987 467 HG23 THR 61 HG23 THR 61 3.800 -3.240 -20.628 468 H ALA 62 H ALA 62 0.178 -4.599 -23.808 469 HA ALA 62 HA ALA 62 -2.473 -3.777 -22.876 470 HB1 ALA 62 HB1 ALA 62 -3.287 -3.365 -25.183 471 HB2 ALA 62 HB2 ALA 62 -1.649 -3.583 -25.805 472 HB3 ALA 62 HB3 ALA 62 -2.012 -2.226 -24.739 473 H MET 1 H MET 1 8.098 15.881 -6.839 474 HA MET 1 HA MET 1 10.252 15.847 -4.822 475 HB2 MET 1 HB2 MET 1 8.174 17.105 -4.159 476 HB3 MET 1 HB3 MET 1 7.233 15.650 -4.444 477 HG2 MET 1 HG2 MET 1 8.520 14.505 -2.653 478 HG3 MET 1 HG3 MET 1 9.384 16.012 -2.344 479 HE1 MET 1 HE1 MET 1 8.099 18.277 -1.459 480 HE2 MET 1 HE2 MET 1 6.367 18.315 -1.123 481 HE3 MET 1 HE3 MET 1 6.936 18.146 -2.784 482 H TYR 2 H TYR 2 7.259 13.965 -5.326 483 HA TYR 2 HA TYR 2 8.604 11.642 -6.375 484 HB2 TYR 2 HB2 TYR 2 7.686 10.146 -4.462 485 HB3 TYR 2 HB3 TYR 2 9.171 11.038 -4.196 486 HD1 TYR 2 HD1 TYR 2 5.517 11.970 -3.810 487 HD2 TYR 2 HD2 TYR 2 9.341 11.612 -1.956 488 HE1 TYR 2 HE1 TYR 2 4.592 12.840 -1.706 489 HE2 TYR 2 HE2 TYR 2 8.425 12.474 0.125 490 HH TYR 2 HH TYR 2 6.539 13.863 0.853 491 H LYS 3 H LYS 3 6.837 9.677 -6.217 492 HA LYS 3 HA LYS 3 4.144 10.406 -6.718 493 HB2 LYS 3 HB2 LYS 3 4.202 9.835 -9.250 494 HB3 LYS 3 HB3 LYS 3 4.749 11.422 -8.756 495 HG2 LYS 3 HG2 LYS 3 6.215 10.670 -10.475 496 HG3 LYS 3 HG3 LYS 3 7.124 10.608 -8.965 497 HD2 LYS 3 HD2 LYS 3 6.920 8.192 -8.866 498 HD3 LYS 3 HD3 LYS 3 5.783 8.181 -10.219 499 HE2 LYS 3 HE2 LYS 3 8.023 7.466 -10.937 500 HE3 LYS 3 HE3 LYS 3 7.559 8.970 -11.729 501 HZ1 LYS 3 HZ1 LYS 3 9.357 8.730 -9.379 502 HZ2 LYS 3 HZ2 LYS 3 8.924 10.173 -10.146 503 HZ3 LYS 3 HZ3 LYS 3 9.840 9.020 -10.972 504 H PHE 4 H PHE 4 3.048 8.557 -8.072 505 HA PHE 4 HA PHE 4 3.767 5.969 -6.877 506 HB2 PHE 4 HB2 PHE 4 1.162 6.948 -8.145 507 HB3 PHE 4 HB3 PHE 4 1.408 5.333 -7.487 508 HD1 PHE 4 HD1 PHE 4 1.571 4.973 -5.068 509 HD2 PHE 4 HD2 PHE 4 0.798 8.893 -6.635 510 HE1 PHE 4 HE1 PHE 4 0.826 5.728 -2.854 511 HE2 PHE 4 HE2 PHE 4 0.064 9.625 -4.415 512 HZ PHE 4 HZ PHE 4 0.074 8.044 -2.528 513 H GLU 5 H GLU 5 4.789 4.584 -8.193 514 HA GLU 5 HA GLU 5 4.554 4.800 -11.130 515 HB2 GLU 5 HB2 GLU 5 6.444 3.027 -9.511 516 HB3 GLU 5 HB3 GLU 5 6.475 3.280 -11.258 517 HG2 GLU 5 HG2 GLU 5 6.929 5.729 -10.776 518 HG3 GLU 5 HG3 GLU 5 7.139 5.278 -9.087 519 H ILE 6 H ILE 6 2.932 3.624 -11.993 520 HA ILE 6 HA ILE 6 2.019 1.134 -10.679 521 HB ILE 6 HB ILE 6 0.599 2.732 -12.865 522 HG12 ILE 6 HG12 ILE 6 -0.110 2.801 -9.896 523 HG13 ILE 6 HG13 ILE 6 0.921 4.009 -10.653 524 HG21 ILE 6 HG21 ILE 6 -0.021 0.331 -12.720 525 HG22 ILE 6 HG22 ILE 6 -1.375 1.366 -12.246 526 HG23 ILE 6 HG23 ILE 6 -0.429 0.532 -11.010 527 HD11 ILE 6 HD11 ILE 6 -0.904 4.619 -12.160 528 HD12 ILE 6 HD12 ILE 6 -1.342 4.796 -10.462 529 HD13 ILE 6 HD13 ILE 6 -1.936 3.415 -11.380 530 H TYR 7 H TYR 7 2.831 -0.606 -11.625 531 HA TYR 7 HA TYR 7 3.061 -0.767 -14.534 532 HB2 TYR 7 HB2 TYR 7 5.327 -1.703 -14.422 533 HB3 TYR 7 HB3 TYR 7 5.306 -0.077 -13.754 534 HD1 TYR 7 HD1 TYR 7 5.185 0.138 -11.159 535 HD2 TYR 7 HD2 TYR 7 6.242 -3.485 -13.167 536 HE1 TYR 7 HE1 TYR 7 6.244 -0.700 -9.114 537 HE2 TYR 7 HE2 TYR 7 7.289 -4.317 -11.124 538 HH TYR 7 HH TYR 7 6.837 -2.896 -8.108 539 H GLN 8 H GLN 8 3.775 -3.143 -15.018 540 HA GLN 8 HA GLN 8 2.664 -5.014 -13.015 541 HB2 GLN 8 HB2 GLN 8 1.605 -6.367 -14.586 542 HB3 GLN 8 HB3 GLN 8 1.318 -4.776 -15.273 543 HG2 GLN 8 HG2 GLN 8 3.260 -5.180 -16.810 544 HG3 GLN 8 HG3 GLN 8 3.367 -6.810 -16.174 545 HE21 GLN 8 HE21 GLN 8 0.445 -7.148 -15.979 546 HE22 GLN 8 HE22 GLN 8 -0.113 -7.347 -17.594 547 H ASP 9 H ASP 9 3.720 -6.980 -12.888 548 HA ASP 9 HA ASP 9 6.561 -7.001 -13.380 549 HB2 ASP 9 HB2 ASP 9 5.660 -7.598 -11.141 550 HB3 ASP 9 HB3 ASP 9 4.657 -8.854 -11.851 551 H LYS 10 H LYS 10 7.529 -8.912 -14.343 552 HA LYS 10 HA LYS 10 6.763 -9.681 -16.838 553 HB2 LYS 10 HB2 LYS 10 8.420 -11.510 -16.644 554 HB3 LYS 10 HB3 LYS 10 9.006 -9.967 -16.050 555 HG2 LYS 10 HG2 LYS 10 9.809 -11.278 -14.359 556 HG3 LYS 10 HG3 LYS 10 8.210 -10.982 -13.693 557 HD2 LYS 10 HD2 LYS 10 8.593 -13.310 -13.406 558 HD3 LYS 10 HD3 LYS 10 7.484 -13.197 -14.769 559 HE2 LYS 10 HE2 LYS 10 10.489 -13.540 -15.059 560 HE3 LYS 10 HE3 LYS 10 9.344 -14.877 -15.051 561 HZ1 LYS 10 HZ1 LYS 10 9.457 -12.679 -17.041 562 HZ2 LYS 10 HZ2 LYS 10 8.307 -13.918 -17.018 563 HZ3 LYS 10 HZ3 LYS 10 9.930 -14.284 -17.282 564 H ALA 11 H ALA 11 5.770 -11.172 -13.864 565 HA ALA 11 HA ALA 11 4.480 -13.519 -14.940 566 HB1 ALA 11 HB1 ALA 11 4.099 -12.150 -12.254 567 HB2 ALA 11 HB2 ALA 11 5.283 -13.408 -12.615 568 HB3 ALA 11 HB3 ALA 11 3.559 -13.778 -12.670 569 H GLY 12 H GLY 12 3.635 -10.463 -15.577 570 HA2 GLY 12 HA2 GLY 12 1.788 -9.318 -16.254 571 HA3 GLY 12 HA3 GLY 12 0.933 -10.847 -16.281 572 H GLU 13 H GLU 13 2.505 -9.321 -13.510 573 HA GLU 13 HA GLU 13 -0.109 -9.307 -12.065 574 HB2 GLU 13 HB2 GLU 13 2.721 -9.721 -11.022 575 HB3 GLU 13 HB3 GLU 13 1.330 -9.450 -9.973 576 HG2 GLU 13 HG2 GLU 13 0.261 -11.491 -10.961 577 HG3 GLU 13 HG3 GLU 13 1.760 -11.789 -11.844 578 H TYR 14 H TYR 14 -0.757 -7.381 -11.038 579 HA TYR 14 HA TYR 14 0.695 -5.020 -12.025 580 HB2 TYR 14 HB2 TYR 14 -2.124 -5.357 -10.945 581 HB3 TYR 14 HB3 TYR 14 -1.391 -3.766 -11.128 582 HD1 TYR 14 HD1 TYR 14 -0.920 -2.842 -13.369 583 HD2 TYR 14 HD2 TYR 14 -2.778 -6.668 -12.934 584 HE1 TYR 14 HE1 TYR 14 -1.557 -2.806 -15.739 585 HE2 TYR 14 HE2 TYR 14 -3.406 -6.626 -15.306 586 HH TYR 14 HH TYR 14 -3.816 -4.929 -17.059 587 H ARG 15 H ARG 15 1.868 -3.833 -10.769 588 HA ARG 15 HA ARG 15 1.604 -3.876 -7.817 589 HB2 ARG 15 HB2 ARG 15 4.219 -3.932 -9.408 590 HB3 ARG 15 HB3 ARG 15 4.142 -3.430 -7.730 591 HG2 ARG 15 HG2 ARG 15 4.973 -5.655 -7.757 592 HG3 ARG 15 HG3 ARG 15 3.327 -5.730 -7.138 593 HD2 ARG 15 HD2 ARG 15 2.506 -6.754 -9.097 594 HD3 ARG 15 HD3 ARG 15 3.894 -6.246 -10.055 595 HE ARG 15 HE ARG 15 5.161 -7.981 -9.179 596 HH11 ARG 15 HH11 ARG 15 1.921 -8.127 -7.814 597 HH12 ARG 15 HH12 ARG 15 2.129 -9.743 -7.233 598 HH21 ARG 15 HH21 ARG 15 5.420 -10.067 -8.376 599 HH22 ARG 15 HH22 ARG 15 4.107 -10.828 -7.539 600 H PHE 16 H PHE 16 1.370 -1.813 -7.037 601 HA PHE 16 HA PHE 16 2.621 0.372 -8.590 602 HB2 PHE 16 HB2 PHE 16 0.946 1.958 -7.775 603 HB3 PHE 16 HB3 PHE 16 0.202 0.685 -8.717 604 HD1 PHE 16 HD1 PHE 16 0.606 2.041 -5.265 605 HD2 PHE 16 HD2 PHE 16 -1.523 -0.709 -7.758 606 HE1 PHE 16 HE1 PHE 16 -1.089 1.747 -3.507 607 HE2 PHE 16 HE2 PHE 16 -3.216 -0.985 -5.996 608 HZ PHE 16 HZ PHE 16 -3.000 0.240 -3.874 609 H ARG 17 H ARG 17 4.052 1.532 -7.564 610 HA ARG 17 HA ARG 17 4.599 1.002 -4.704 611 HB2 ARG 17 HB2 ARG 17 6.532 1.844 -6.919 612 HB3 ARG 17 HB3 ARG 17 6.961 1.523 -5.240 613 HG2 ARG 17 HG2 ARG 17 6.317 -0.857 -5.548 614 HG3 ARG 17 HG3 ARG 17 5.928 -0.514 -7.238 615 HD2 ARG 17 HD2 ARG 17 8.664 -0.279 -5.933 616 HD3 ARG 17 HD3 ARG 17 8.146 -1.527 -7.073 617 HE ARG 17 HE ARG 17 8.147 1.301 -7.916 618 HH11 ARG 17 HH11 ARG 17 9.483 -1.925 -8.293 619 HH12 ARG 17 HH12 ARG 17 10.339 -1.521 -9.744 620 HH21 ARG 17 HH21 ARG 17 9.255 1.784 -9.843 621 HH22 ARG 17 HH22 ARG 17 10.209 0.564 -10.619 622 H PHE 18 H PHE 18 5.613 2.820 -3.586 623 HA PHE 18 HA PHE 18 5.004 5.496 -4.734 624 HB2 PHE 18 HB2 PHE 18 3.487 4.979 -2.822 625 HB3 PHE 18 HB3 PHE 18 4.888 4.684 -1.803 626 HD1 PHE 18 HD1 PHE 18 4.262 7.454 -4.252 627 HD2 PHE 18 HD2 PHE 18 4.739 6.341 -0.152 628 HE1 PHE 18 HE1 PHE 18 4.199 9.812 -3.590 629 HE2 PHE 18 HE2 PHE 18 4.650 8.702 0.505 630 HZ PHE 18 HZ PHE 18 4.404 10.435 -1.222 631 H LYS 19 H LYS 19 6.619 6.880 -4.745 632 HA LYS 19 HA LYS 19 9.306 5.880 -4.091 633 HB2 LYS 19 HB2 LYS 19 8.356 8.101 -5.972 634 HB3 LYS 19 HB3 LYS 19 10.045 7.643 -5.735 635 HG2 LYS 19 HG2 LYS 19 7.859 5.863 -6.879 636 HG3 LYS 19 HG3 LYS 19 9.121 6.681 -7.804 637 HD2 LYS 19 HD2 LYS 19 9.595 4.556 -5.674 638 HD3 LYS 19 HD3 LYS 19 9.639 4.274 -7.412 639 HE2 LYS 19 HE2 LYS 19 11.550 5.865 -7.590 640 HE3 LYS 19 HE3 LYS 19 11.521 6.073 -5.840 641 HZ1 LYS 19 HZ1 LYS 19 11.978 3.694 -5.622 642 HZ2 LYS 19 HZ2 LYS 19 13.198 4.489 -6.485 643 HZ3 LYS 19 HZ3 LYS 19 12.054 3.553 -7.302 644 H ALA 20 H ALA 20 10.829 7.944 -3.865 645 HA ALA 20 HA ALA 20 9.785 9.771 -1.807 646 HB1 ALA 20 HB1 ALA 20 10.869 7.886 -0.656 647 HB2 ALA 20 HB2 ALA 20 11.795 9.372 -0.434 648 HB3 ALA 20 HB3 ALA 20 12.342 8.150 -1.587 649 H SER 21 H SER 21 11.131 11.652 -1.497 650 HA SER 21 HA SER 21 11.871 13.070 -3.694 651 HB2 SER 21 HB2 SER 21 12.963 13.442 -0.880 652 HB3 SER 21 HB3 SER 21 12.894 14.680 -2.139 653 HG SER 21 HG SER 21 11.067 14.250 -0.390 654 H ASN 22 H ASN 22 14.002 10.962 -1.793 655 HA ASN 22 HA ASN 22 16.448 11.741 -3.176 656 HB2 ASN 22 HB2 ASN 22 16.020 9.342 -1.347 657 HB3 ASN 22 HB3 ASN 22 17.556 10.074 -1.787 658 HD21 ASN 22 HD21 ASN 22 16.131 9.562 0.808 659 HD22 ASN 22 HD22 ASN 22 16.176 11.078 1.643 660 H GLY 23 H GLY 23 13.856 9.849 -4.040 661 HA2 GLY 23 HA2 GLY 23 13.466 8.550 -5.889 662 HA3 GLY 23 HA3 GLY 23 15.178 8.591 -6.266 663 H GLU 24 H GLU 24 13.407 7.449 -3.401 664 HA GLU 24 HA GLU 24 14.302 4.655 -3.931 665 HB2 GLU 24 HB2 GLU 24 14.070 6.031 -1.218 666 HB3 GLU 24 HB3 GLU 24 14.347 4.306 -1.439 667 HG2 GLU 24 HG2 GLU 24 16.213 6.537 -2.288 668 HG3 GLU 24 HG3 GLU 24 16.417 5.499 -0.882 669 H THR 25 H THR 25 12.817 3.019 -3.332 670 HA THR 25 HA THR 25 9.994 3.852 -3.156 671 HB THR 25 HB THR 25 11.297 1.158 -3.724 672 HG1 THR 25 HG1 THR 25 10.690 1.513 -5.789 673 HG21 THR 25 HG21 THR 25 8.332 1.821 -3.688 674 HG22 THR 25 HG22 THR 25 9.161 0.747 -2.559 675 HG23 THR 25 HG23 THR 25 9.035 0.305 -4.260 676 H MET 26 H MET 26 8.673 3.200 -1.521 677 HA MET 26 HA MET 26 9.954 2.231 0.974 678 HB2 MET 26 HB2 MET 26 8.268 3.809 2.145 679 HB3 MET 26 HB3 MET 26 9.688 4.512 1.389 680 HG2 MET 26 HG2 MET 26 7.738 5.869 0.947 681 HG3 MET 26 HG3 MET 26 8.332 5.174 -0.562 682 HE1 MET 26 HE1 MET 26 4.589 3.740 1.689 683 HE2 MET 26 HE2 MET 26 5.651 5.036 2.234 684 HE3 MET 26 HE3 MET 26 6.217 3.363 2.246 685 H PHE 27 H PHE 27 6.925 2.210 -0.974 686 HA PHE 27 HA PHE 27 6.532 -0.455 0.196 687 HB2 PHE 27 HB2 PHE 27 4.263 -0.311 0.691 688 HB3 PHE 27 HB3 PHE 27 4.838 1.253 1.221 689 HD1 PHE 27 HD1 PHE 27 2.792 -0.516 -1.355 690 HD2 PHE 27 HD2 PHE 27 3.967 3.265 0.190 691 HE1 PHE 27 HE1 PHE 27 0.972 0.583 -2.595 692 HE2 PHE 27 HE2 PHE 27 2.207 4.372 -1.025 693 HZ PHE 27 HZ PHE 27 0.669 3.033 -2.449 694 H SER 28 H SER 28 5.696 -1.939 -1.041 695 HA SER 28 HA SER 28 5.023 -1.382 -3.873 696 HB2 SER 28 HB2 SER 28 6.430 -3.847 -2.721 697 HB3 SER 28 HB3 SER 28 5.958 -3.624 -4.406 698 HG SER 28 HG SER 28 7.768 -1.939 -2.999 699 H SER 29 H SER 29 3.024 -2.251 -4.480 700 HA SER 29 HA SER 29 1.463 -3.581 -2.341 701 HB2 SER 29 HB2 SER 29 0.701 -1.259 -2.783 702 HB3 SER 29 HB3 SER 29 0.520 -1.632 -4.499 703 HG SER 29 HG SER 29 -1.006 -2.517 -2.304 704 H GLU 30 H GLU 30 -0.332 -4.890 -3.204 705 HA GLU 30 HA GLU 30 0.555 -6.746 -5.239 706 HB2 GLU 30 HB2 GLU 30 -1.441 -8.040 -4.629 707 HB3 GLU 30 HB3 GLU 30 -0.594 -7.522 -3.173 708 HG2 GLU 30 HG2 GLU 30 -2.230 -5.771 -2.771 709 HG3 GLU 30 HG3 GLU 30 -3.014 -6.083 -4.318 710 H GLY 31 H GLY 31 -0.848 -3.774 -5.587 711 HA2 GLY 31 HA2 GLY 31 -1.595 -2.735 -7.513 712 HA3 GLY 31 HA3 GLY 31 -1.671 -4.296 -8.311 713 H TYR 32 H TYR 32 -3.305 -4.884 -5.666 714 HA TYR 32 HA TYR 32 -5.333 -4.904 -4.799 715 HB2 TYR 32 HB2 TYR 32 -5.393 -2.391 -5.314 716 HB3 TYR 32 HB3 TYR 32 -6.271 -2.794 -6.785 717 HD1 TYR 32 HD1 TYR 32 -6.632 -4.298 -3.366 718 HD2 TYR 32 HD2 TYR 32 -8.438 -1.870 -6.387 719 HE1 TYR 32 HE1 TYR 32 -8.726 -4.260 -2.089 720 HE2 TYR 32 HE2 TYR 32 -10.522 -1.827 -5.104 721 HH TYR 32 HH TYR 32 -10.690 -2.817 -1.876 722 H LYS 33 H LYS 33 -5.560 -4.632 -8.373 723 HA LYS 33 HA LYS 33 -6.334 -7.381 -8.649 724 HB2 LYS 33 HB2 LYS 33 -8.542 -6.514 -8.033 725 HB3 LYS 33 HB3 LYS 33 -8.424 -5.225 -9.221 726 HG2 LYS 33 HG2 LYS 33 -9.934 -6.965 -10.009 727 HG3 LYS 33 HG3 LYS 33 -8.507 -6.887 -11.046 728 HD2 LYS 33 HD2 LYS 33 -7.558 -8.857 -9.820 729 HD3 LYS 33 HD3 LYS 33 -9.041 -8.943 -8.864 730 HE2 LYS 33 HE2 LYS 33 -8.834 -9.297 -11.872 731 HE3 LYS 33 HE3 LYS 33 -9.078 -10.579 -10.686 732 HZ1 LYS 33 HZ1 LYS 33 -11.151 -9.950 -11.720 733 HZ2 LYS 33 HZ2 LYS 33 -10.952 -8.343 -11.243 734 HZ3 LYS 33 HZ3 LYS 33 -11.186 -9.547 -10.078 735 H ALA 34 H ALA 34 -6.562 -4.234 -10.328 736 HA ALA 34 HA ALA 34 -4.977 -5.192 -12.605 737 HB1 ALA 34 HB1 ALA 34 -6.704 -4.510 -14.240 738 HB2 ALA 34 HB2 ALA 34 -7.820 -4.134 -12.926 739 HB3 ALA 34 HB3 ALA 34 -7.308 -5.799 -13.199 740 H LYS 35 H LYS 35 -5.244 -2.960 -14.310 741 HA LYS 35 HA LYS 35 -3.837 -0.906 -12.977 742 HB2 LYS 35 HB2 LYS 35 -3.604 -1.342 -15.391 743 HB3 LYS 35 HB3 LYS 35 -5.299 -0.947 -15.650 744 HG2 LYS 35 HG2 LYS 35 -4.659 1.401 -14.694 745 HG3 LYS 35 HG3 LYS 35 -3.000 0.904 -15.012 746 HD2 LYS 35 HD2 LYS 35 -5.244 1.151 -17.052 747 HD3 LYS 35 HD3 LYS 35 -3.860 2.232 -16.876 748 HE2 LYS 35 HE2 LYS 35 -3.710 -0.695 -17.669 749 HE3 LYS 35 HE3 LYS 35 -3.600 0.670 -18.777 750 HZ1 LYS 35 HZ1 LYS 35 -1.440 -0.307 -18.085 751 HZ2 LYS 35 HZ2 LYS 35 -1.736 0.261 -16.515 752 HZ3 LYS 35 HZ3 LYS 35 -1.579 1.356 -17.788 753 H ALA 36 H ALA 36 -7.214 -1.144 -14.161 754 HA ALA 36 HA ALA 36 -8.171 1.366 -13.445 755 HB1 ALA 36 HB1 ALA 36 -9.695 -1.263 -13.390 756 HB2 ALA 36 HB2 ALA 36 -9.482 -0.211 -14.790 757 HB3 ALA 36 HB3 ALA 36 -10.425 0.346 -13.408 758 H SER 37 H SER 37 -7.972 -1.589 -11.511 759 HA SER 37 HA SER 37 -9.162 -0.551 -9.130 760 HB2 SER 37 HB2 SER 37 -7.331 -2.968 -9.368 761 HB3 SER 37 HB3 SER 37 -8.574 -2.670 -8.151 762 HG SER 37 HG SER 37 -10.053 -2.655 -10.056 763 H ALA 38 H ALA 38 -5.913 -0.659 -10.463 764 HA ALA 38 HA ALA 38 -4.406 -0.219 -8.110 765 HB1 ALA 38 HB1 ALA 38 -2.540 0.362 -9.613 766 HB2 ALA 38 HB2 ALA 38 -3.655 0.450 -10.983 767 HB3 ALA 38 HB3 ALA 38 -3.371 -1.091 -10.174 768 H ILE 39 H ILE 39 -5.324 2.117 -10.740 769 HA ILE 39 HA ILE 39 -4.507 4.442 -9.421 770 HB ILE 39 HB ILE 39 -6.630 4.079 -11.584 771 HG12 ILE 39 HG12 ILE 39 -4.851 5.423 -12.942 772 HG13 ILE 39 HG13 ILE 39 -3.751 5.097 -11.614 773 HG21 ILE 39 HG21 ILE 39 -6.648 6.566 -11.885 774 HG22 ILE 39 HG22 ILE 39 -5.684 6.727 -10.415 775 HG23 ILE 39 HG23 ILE 39 -7.315 6.061 -10.330 776 HD11 ILE 39 HD11 ILE 39 -5.073 3.052 -13.391 777 HD12 ILE 39 HD12 ILE 39 -3.997 2.692 -12.038 778 HD13 ILE 39 HD13 ILE 39 -3.388 3.574 -13.438 779 H HIS 40 H HIS 40 -7.731 2.854 -9.445 780 HA HIS 40 HA HIS 40 -9.139 4.794 -7.962 781 HB2 HIS 40 HB2 HIS 40 -9.647 1.802 -8.216 782 HB3 HIS 40 HB3 HIS 40 -10.764 2.910 -7.420 783 HD1 HIS 40 HD1 HIS 40 -12.287 1.760 -9.430 784 HD2 HIS 40 HD2 HIS 40 -9.495 4.622 -10.559 785 HE1 HIS 40 HE1 HIS 40 -13.003 2.541 -11.700 786 HE2 HIS 40 HE2 HIS 40 -11.393 4.377 -12.287 787 H ALA 41 H ALA 41 -7.235 1.972 -6.881 788 HA ALA 41 HA ALA 41 -7.649 2.179 -4.127 789 HB1 ALA 41 HB1 ALA 41 -5.149 1.257 -5.609 790 HB2 ALA 41 HB2 ALA 41 -6.529 0.241 -5.180 791 HB3 ALA 41 HB3 ALA 41 -5.520 0.938 -3.911 792 H ILE 42 H ILE 42 -5.030 3.514 -6.171 793 HA ILE 42 HA ILE 42 -3.737 5.066 -4.239 794 HB ILE 42 HB ILE 42 -3.905 5.467 -7.250 795 HG12 ILE 42 HG12 ILE 42 -1.683 4.183 -5.589 796 HG13 ILE 42 HG13 ILE 42 -2.964 3.269 -6.379 797 HG21 ILE 42 HG21 ILE 42 -1.920 6.724 -5.311 798 HG22 ILE 42 HG22 ILE 42 -3.174 7.574 -6.215 799 HG23 ILE 42 HG23 ILE 42 -1.834 6.819 -7.075 800 HD11 ILE 42 HD11 ILE 42 -0.893 3.256 -7.633 801 HD12 ILE 42 HD12 ILE 42 -0.962 5.010 -7.794 802 HD13 ILE 42 HD13 ILE 42 -2.210 3.998 -8.535 803 H GLU 43 H GLU 43 -6.723 5.700 -5.926 804 HA GLU 43 HA GLU 43 -6.801 8.526 -5.606 805 HB2 GLU 43 HB2 GLU 43 -9.020 6.524 -6.138 806 HB3 GLU 43 HB3 GLU 43 -9.316 8.253 -5.988 807 HG2 GLU 43 HG2 GLU 43 -7.694 8.628 -7.868 808 HG3 GLU 43 HG3 GLU 43 -7.608 6.882 -8.077 809 H SER 44 H SER 44 -7.740 5.813 -3.525 810 HA SER 44 HA SER 44 -8.831 7.201 -1.355 811 HB2 SER 44 HB2 SER 44 -6.968 4.816 -1.472 812 HB3 SER 44 HB3 SER 44 -7.528 5.438 0.079 813 HG SER 44 HG SER 44 -8.867 4.021 -1.881 814 H ILE 45 H ILE 45 -5.421 6.933 -2.335 815 HA ILE 45 HA ILE 45 -4.334 7.865 0.123 816 HB ILE 45 HB ILE 45 -2.726 8.156 -2.468 817 HG12 ILE 45 HG12 ILE 45 -3.841 5.828 -2.466 818 HG13 ILE 45 HG13 ILE 45 -2.083 5.833 -2.517 819 HG21 ILE 45 HG21 ILE 45 -2.035 7.344 0.384 820 HG22 ILE 45 HG22 ILE 45 -1.752 8.928 -0.360 821 HG23 ILE 45 HG23 ILE 45 -0.870 7.518 -0.944 822 HD11 ILE 45 HD11 ILE 45 -3.785 5.305 -0.091 823 HD12 ILE 45 HD12 ILE 45 -2.019 5.289 -0.137 824 HD13 ILE 45 HD13 ILE 45 -2.936 4.110 -1.065 825 H LYS 46 H LYS 46 -5.150 9.346 -2.984 826 HA LYS 46 HA LYS 46 -3.956 11.829 -2.694 827 HB2 LYS 46 HB2 LYS 46 -6.509 11.459 -4.288 828 HB3 LYS 46 HB3 LYS 46 -5.146 12.515 -4.626 829 HG2 LYS 46 HG2 LYS 46 -5.420 9.554 -5.113 830 HG3 LYS 46 HG3 LYS 46 -4.996 10.831 -6.251 831 HD2 LYS 46 HD2 LYS 46 -3.232 9.733 -4.026 832 HD3 LYS 46 HD3 LYS 46 -3.066 9.392 -5.747 833 HE2 LYS 46 HE2 LYS 46 -2.756 12.129 -4.503 834 HE3 LYS 46 HE3 LYS 46 -1.454 11.042 -4.887 835 HZ1 LYS 46 HZ1 LYS 46 -1.743 12.639 -6.626 836 HZ2 LYS 46 HZ2 LYS 46 -3.369 12.211 -6.810 837 HZ3 LYS 46 HZ3 LYS 46 -2.154 11.104 -7.207 838 H ARG 47 H ARG 47 -6.748 10.668 -1.201 839 HA ARG 47 HA ARG 47 -8.225 13.143 -1.009 840 HB2 ARG 47 HB2 ARG 47 -8.633 10.489 0.421 841 HB3 ARG 47 HB3 ARG 47 -9.770 11.832 0.458 842 HG2 ARG 47 HG2 ARG 47 -8.941 10.332 -2.038 843 HG3 ARG 47 HG3 ARG 47 -10.410 10.016 -1.112 844 HD2 ARG 47 HD2 ARG 47 -9.719 12.625 -2.498 845 HD3 ARG 47 HD3 ARG 47 -10.852 11.409 -3.099 846 HE ARG 47 HE ARG 47 -11.600 12.190 -0.500 847 HH11 ARG 47 HH11 ARG 47 -11.583 13.510 -3.748 848 HH12 ARG 47 HH12 ARG 47 -12.914 14.576 -3.443 849 HH21 ARG 47 HH21 ARG 47 -13.279 13.618 -0.101 850 HH22 ARG 47 HH22 ARG 47 -13.872 14.650 -1.364 851 H ASN 48 H ASN 48 -6.745 11.103 1.553 852 HA ASN 48 HA ASN 48 -6.113 13.427 3.216 853 HB2 ASN 48 HB2 ASN 48 -8.347 11.511 4.017 854 HB3 ASN 48 HB3 ASN 48 -7.479 12.477 5.203 855 HD21 ASN 48 HD21 ASN 48 -7.869 14.697 5.322 856 HD22 ASN 48 HD22 ASN 48 -9.204 15.442 4.522 857 H SER 49 H SER 49 -4.845 10.832 2.058 858 HA SER 49 HA SER 49 -4.322 9.078 4.243 859 HB2 SER 49 HB2 SER 49 -4.208 8.415 1.853 860 HB3 SER 49 HB3 SER 49 -2.737 9.366 1.683 861 HG SER 49 HG SER 49 -3.147 7.095 3.330 862 H ALA 50 H ALA 50 -2.492 11.806 2.868 863 HA ALA 50 HA ALA 50 -0.197 11.657 4.447 864 HB1 ALA 50 HB1 ALA 50 -1.560 14.163 3.414 865 HB2 ALA 50 HB2 ALA 50 -0.432 13.155 2.507 866 HB3 ALA 50 HB3 ALA 50 0.124 14.033 3.934 867 H GLY 51 H GLY 51 -3.411 12.731 5.291 868 HA2 GLY 51 HA2 GLY 51 -2.555 13.530 8.014 869 HA3 GLY 51 HA3 GLY 51 -4.096 13.901 7.261 870 H ALA 52 H ALA 52 -3.710 10.770 6.451 871 HA ALA 52 HA ALA 52 -5.641 9.730 8.236 872 HB1 ALA 52 HB1 ALA 52 -3.697 8.243 6.428 873 HB2 ALA 52 HB2 ALA 52 -5.308 8.815 5.979 874 HB3 ALA 52 HB3 ALA 52 -5.135 7.542 7.189 875 H ASP 53 H ASP 53 -5.437 8.464 10.104 876 HA ASP 53 HA ASP 53 -3.058 8.759 11.651 877 HB2 ASP 53 HB2 ASP 53 -5.376 8.645 12.608 878 HB3 ASP 53 HB3 ASP 53 -5.446 6.935 12.203 879 H THR 54 H THR 54 -1.653 7.074 12.453 880 HA THR 54 HA THR 54 -1.437 4.675 10.713 881 HB THR 54 HB THR 54 0.806 6.165 12.151 882 HG1 THR 54 HG1 THR 54 1.374 6.587 9.849 883 HG21 THR 54 HG21 THR 54 1.373 3.780 11.885 884 HG22 THR 54 HG22 THR 54 2.344 4.764 10.781 885 HG23 THR 54 HG23 THR 54 0.955 3.856 10.175 886 H VAL 55 H VAL 55 -2.434 3.124 11.829 887 HA VAL 55 HA VAL 55 -2.039 2.772 14.743 888 HB VAL 55 HB VAL 55 -4.015 1.313 12.923 889 HG11 VAL 55 HG11 VAL 55 -3.917 1.489 15.959 890 HG12 VAL 55 HG12 VAL 55 -3.514 0.079 14.977 891 HG13 VAL 55 HG13 VAL 55 -5.172 0.680 15.012 892 HG21 VAL 55 HG21 VAL 55 -4.559 3.688 12.885 893 HG22 VAL 55 HG22 VAL 55 -4.545 3.757 14.649 894 HG23 VAL 55 HG23 VAL 55 -5.777 2.808 13.812 895 H ASP 56 H ASP 56 -0.681 1.221 15.416 896 HA ASP 56 HA ASP 56 0.093 -1.026 13.669 897 HB2 ASP 56 HB2 ASP 56 2.068 0.039 14.425 898 HB3 ASP 56 HB3 ASP 56 1.426 0.312 16.044 899 H LEU 57 H LEU 57 -1.164 -2.690 13.939 900 HA LEU 57 HA LEU 57 -2.501 -3.419 16.391 901 HB2 LEU 57 HB2 LEU 57 -2.472 -4.716 13.636 902 HB3 LEU 57 HB3 LEU 57 -3.441 -5.287 14.980 903 HG LEU 57 HG LEU 57 -4.886 -4.069 13.496 904 HD11 LEU 57 HD11 LEU 57 -5.366 -3.748 15.866 905 HD12 LEU 57 HD12 LEU 57 -5.807 -2.328 14.922 906 HD13 LEU 57 HD13 LEU 57 -4.337 -2.312 15.899 907 HD21 LEU 57 HD21 LEU 57 -4.570 -1.743 12.841 908 HD22 LEU 57 HD22 LEU 57 -3.226 -2.740 12.289 909 HD23 LEU 57 HD23 LEU 57 -3.022 -1.688 13.693 910 H THR 58 H THR 58 0.598 -4.321 14.969 911 HA THR 58 HA THR 58 0.382 -7.124 15.897 912 HB THR 58 HB THR 58 1.195 -6.828 13.602 913 HG1 THR 58 HG1 THR 58 2.398 -8.293 15.498 914 HG21 THR 58 HG21 THR 58 2.433 -4.700 13.818 915 HG22 THR 58 HG22 THR 58 3.430 -5.970 13.100 916 HG23 THR 58 HG23 THR 58 3.658 -5.514 14.792 917 H THR 59 H THR 59 1.680 -4.175 17.065 918 HA THR 59 HA THR 59 3.577 -3.573 18.250 919 HB THR 59 HB THR 59 3.222 -4.371 20.646 920 HG1 THR 59 HG1 THR 59 1.231 -5.963 19.368 921 HG21 THR 59 HG21 THR 59 1.964 -2.419 19.762 922 HG22 THR 59 HG22 THR 59 0.998 -3.361 20.896 923 HG23 THR 59 HG23 THR 59 0.704 -3.509 19.165 924 H MET 60 H MET 60 4.636 -5.466 16.541 925 HA MET 60 HA MET 60 6.663 -6.821 18.211 926 HB2 MET 60 HB2 MET 60 4.943 -8.483 17.390 927 HB3 MET 60 HB3 MET 60 5.332 -8.034 15.736 928 HG2 MET 60 HG2 MET 60 7.690 -8.798 16.146 929 HG3 MET 60 HG3 MET 60 7.172 -9.385 17.729 930 HE1 MET 60 HE1 MET 60 4.526 -12.141 16.632 931 HE2 MET 60 HE2 MET 60 4.154 -10.437 16.888 932 HE3 MET 60 HE3 MET 60 5.236 -11.281 17.998 933 H THR 61 H THR 61 8.695 -6.363 17.539 934 HA THR 61 HA THR 61 9.104 -4.356 15.551 935 HB THR 61 HB THR 61 11.552 -4.646 16.173 936 HG1 THR 61 HG1 THR 61 11.927 -6.600 16.940 937 HG21 THR 61 HG21 THR 61 11.333 -3.775 18.463 938 HG22 THR 61 HG22 THR 61 9.659 -4.327 18.532 939 HG23 THR 61 HG23 THR 61 10.118 -3.045 17.410 940 H ALA 62 H ALA 62 10.577 -7.621 15.803 941 HA ALA 62 HA ALA 62 10.288 -8.130 12.964 942 HB1 ALA 62 HB1 ALA 62 12.331 -6.718 12.997 943 HB2 ALA 62 HB2 ALA 62 12.700 -8.364 12.487 944 HB3 ALA 62 HB3 ALA 62 13.092 -7.838 14.126 Start of MODEL 4 1 H MET 1 H MET 1 -11.737 8.198 11.282 2 HA MET 1 HA MET 1 -13.096 8.592 9.353 3 HB2 MET 1 HB2 MET 1 -11.859 10.711 8.702 4 HB3 MET 1 HB3 MET 1 -10.540 9.709 8.119 5 HG2 MET 1 HG2 MET 1 -12.173 8.661 6.495 6 HG3 MET 1 HG3 MET 1 -13.354 9.870 6.996 7 HE1 MET 1 HE1 MET 1 -11.194 12.397 7.406 8 HE2 MET 1 HE2 MET 1 -12.809 12.586 6.721 9 HE3 MET 1 HE3 MET 1 -11.404 13.180 5.838 10 H TYR 2 H TYR 2 -9.637 8.019 8.665 11 HA TYR 2 HA TYR 2 -9.918 5.150 8.812 12 HB2 TYR 2 HB2 TYR 2 -8.902 4.866 6.437 13 HB3 TYR 2 HB3 TYR 2 -10.625 5.128 6.605 14 HD1 TYR 2 HD1 TYR 2 -7.542 7.292 6.163 15 HD2 TYR 2 HD2 TYR 2 -11.565 6.488 4.984 16 HE1 TYR 2 HE1 TYR 2 -7.418 9.077 4.478 17 HE2 TYR 2 HE2 TYR 2 -11.440 8.251 3.315 18 HH TYR 2 HH TYR 2 -8.525 9.612 2.324 19 H LYS 3 H LYS 3 -7.648 4.177 7.926 20 HA LYS 3 HA LYS 3 -5.362 5.704 8.661 21 HB2 LYS 3 HB2 LYS 3 -4.851 4.329 10.789 22 HB3 LYS 3 HB3 LYS 3 -6.033 5.609 10.927 23 HG2 LYS 3 HG2 LYS 3 -6.854 3.780 12.197 24 HG3 LYS 3 HG3 LYS 3 -7.848 3.857 10.743 25 HD2 LYS 3 HD2 LYS 3 -6.731 1.934 9.785 26 HD3 LYS 3 HD3 LYS 3 -5.487 1.958 11.039 27 HE2 LYS 3 HE2 LYS 3 -7.124 0.168 11.434 28 HE3 LYS 3 HE3 LYS 3 -7.156 1.358 12.733 29 HZ1 LYS 3 HZ1 LYS 3 -9.090 1.087 10.514 30 HZ2 LYS 3 HZ2 LYS 3 -9.100 2.351 11.632 31 HZ3 LYS 3 HZ3 LYS 3 -9.360 0.769 12.151 32 H PHE 4 H PHE 4 -3.504 4.099 9.277 33 HA PHE 4 HA PHE 4 -3.353 2.027 7.218 34 HB2 PHE 4 HB2 PHE 4 -1.226 3.478 8.843 35 HB3 PHE 4 HB3 PHE 4 -0.864 2.131 7.768 36 HD1 PHE 4 HD1 PHE 4 -1.978 5.667 7.910 37 HD2 PHE 4 HD2 PHE 4 -0.850 2.415 5.360 38 HE1 PHE 4 HE1 PHE 4 -1.763 7.213 6.010 39 HE2 PHE 4 HE2 PHE 4 -0.635 3.972 3.476 40 HZ PHE 4 HZ PHE 4 -1.087 6.363 3.800 41 H GLU 5 H GLU 5 -3.675 0.001 7.836 42 HA GLU 5 HA GLU 5 -3.206 -0.878 10.593 43 HB2 GLU 5 HB2 GLU 5 -4.617 -2.190 8.230 44 HB3 GLU 5 HB3 GLU 5 -4.256 -3.071 9.717 45 HG2 GLU 5 HG2 GLU 5 -5.535 -1.233 10.958 46 HG3 GLU 5 HG3 GLU 5 -6.080 -0.678 9.371 47 H ILE 6 H ILE 6 -1.162 -1.451 11.030 48 HA ILE 6 HA ILE 6 0.526 -2.749 8.987 49 HB ILE 6 HB ILE 6 1.352 -1.694 11.737 50 HG12 ILE 6 HG12 ILE 6 1.824 -0.280 9.074 51 HG13 ILE 6 HG13 ILE 6 0.501 0.126 10.160 52 HG21 ILE 6 HG21 ILE 6 2.842 -3.447 10.809 53 HG22 ILE 6 HG22 ILE 6 3.668 -1.886 10.859 54 HG23 ILE 6 HG23 ILE 6 3.043 -2.503 9.328 55 HD11 ILE 6 HD11 ILE 6 2.121 0.704 11.896 56 HD12 ILE 6 HD12 ILE 6 2.358 1.644 10.424 57 HD13 ILE 6 HD13 ILE 6 3.439 0.302 10.792 58 H TYR 7 H TYR 7 0.645 -4.899 9.166 59 HA TYR 7 HA TYR 7 1.095 -6.114 11.725 60 HB2 TYR 7 HB2 TYR 7 -0.692 -7.798 11.582 61 HB3 TYR 7 HB3 TYR 7 -1.342 -6.175 11.722 62 HD1 TYR 7 HD1 TYR 7 -2.361 -5.069 9.664 63 HD2 TYR 7 HD2 TYR 7 -1.256 -9.197 9.715 64 HE1 TYR 7 HE1 TYR 7 -3.823 -5.497 7.739 65 HE2 TYR 7 HE2 TYR 7 -2.715 -9.617 7.797 66 HH TYR 7 HH TYR 7 -4.715 -8.613 6.790 67 H GLN 8 H GLN 8 1.126 -8.666 11.260 68 HA GLN 8 HA GLN 8 2.650 -9.049 8.744 69 HB2 GLN 8 HB2 GLN 8 4.208 -10.465 9.727 70 HB3 GLN 8 HB3 GLN 8 3.957 -9.310 11.030 71 HG2 GLN 8 HG2 GLN 8 2.361 -10.965 12.069 72 HG3 GLN 8 HG3 GLN 8 2.804 -12.099 10.806 73 HE21 GLN 8 HE21 GLN 8 5.626 -11.384 10.732 74 HE22 GLN 8 HE22 GLN 8 6.333 -12.023 12.167 75 H ASP 9 H ASP 9 2.188 -10.890 7.604 76 HA ASP 9 HA ASP 9 -0.465 -11.992 7.868 77 HB2 ASP 9 HB2 ASP 9 0.523 -11.309 5.666 78 HB3 ASP 9 HB3 ASP 9 1.769 -12.533 5.850 79 H LYS 10 H LYS 10 -0.783 -14.390 7.807 80 HA LYS 10 HA LYS 10 0.309 -15.809 9.888 81 HB2 LYS 10 HB2 LYS 10 -1.808 -16.363 8.722 82 HB3 LYS 10 HB3 LYS 10 -0.916 -16.931 7.321 83 HG2 LYS 10 HG2 LYS 10 -0.519 -18.240 10.025 84 HG3 LYS 10 HG3 LYS 10 -1.922 -18.650 9.035 85 HD2 LYS 10 HD2 LYS 10 -0.434 -19.379 7.209 86 HD3 LYS 10 HD3 LYS 10 0.980 -18.923 8.155 87 HE2 LYS 10 HE2 LYS 10 0.363 -20.633 9.856 88 HE3 LYS 10 HE3 LYS 10 -1.011 -21.104 8.851 89 HZ1 LYS 10 HZ1 LYS 10 0.850 -22.579 8.521 90 HZ2 LYS 10 HZ2 LYS 10 1.854 -21.288 8.084 91 HZ3 LYS 10 HZ3 LYS 10 0.547 -21.716 7.099 92 H ALA 11 H ALA 11 1.487 -15.608 6.607 93 HA ALA 11 HA ALA 11 3.555 -17.618 6.805 94 HB1 ALA 11 HB1 ALA 11 4.263 -16.790 4.607 95 HB2 ALA 11 HB2 ALA 11 3.187 -15.398 4.775 96 HB3 ALA 11 HB3 ALA 11 2.517 -17.028 4.661 97 H GLY 12 H GLY 12 3.408 -14.945 8.523 98 HA2 GLY 12 HA2 GLY 12 4.884 -13.733 9.766 99 HA3 GLY 12 HA3 GLY 12 6.202 -14.559 8.958 100 H GLU 13 H GLU 13 3.756 -12.908 7.070 101 HA GLU 13 HA GLU 13 5.963 -11.342 5.857 102 HB2 GLU 13 HB2 GLU 13 3.150 -11.846 4.809 103 HB3 GLU 13 HB3 GLU 13 4.433 -11.006 3.945 104 HG2 GLU 13 HG2 GLU 13 5.756 -13.108 3.916 105 HG3 GLU 13 HG3 GLU 13 4.428 -13.932 4.731 106 H TYR 14 H TYR 14 6.132 -9.577 7.281 107 HA TYR 14 HA TYR 14 4.119 -7.891 8.137 108 HB2 TYR 14 HB2 TYR 14 6.990 -7.182 7.386 109 HB3 TYR 14 HB3 TYR 14 5.885 -6.054 8.172 110 HD1 TYR 14 HD1 TYR 14 5.174 -6.395 10.515 111 HD2 TYR 14 HD2 TYR 14 7.929 -9.089 8.656 112 HE1 TYR 14 HE1 TYR 14 5.765 -7.315 12.716 113 HE2 TYR 14 HE2 TYR 14 8.507 -10.011 10.855 114 HH TYR 14 HH TYR 14 6.705 -9.404 13.643 115 H ARG 15 H ARG 15 3.031 -6.273 7.358 116 HA ARG 15 HA ARG 15 3.154 -5.214 4.674 117 HB2 ARG 15 HB2 ARG 15 0.774 -6.042 4.162 118 HB3 ARG 15 HB3 ARG 15 2.044 -7.261 4.095 119 HG2 ARG 15 HG2 ARG 15 1.399 -7.980 6.427 120 HG3 ARG 15 HG3 ARG 15 0.026 -6.867 6.337 121 HD2 ARG 15 HD2 ARG 15 -0.560 -9.222 5.781 122 HD3 ARG 15 HD3 ARG 15 -0.900 -8.082 4.475 123 HE ARG 15 HE ARG 15 1.557 -9.743 4.513 124 HH11 ARG 15 HH11 ARG 15 -1.344 -8.708 2.797 125 HH12 ARG 15 HH12 ARG 15 -0.826 -9.386 1.278 126 HH21 ARG 15 HH21 ARG 15 2.207 -10.627 2.512 127 HH22 ARG 15 HH22 ARG 15 1.162 -10.488 1.132 128 H PHE 16 H PHE 16 2.216 -3.171 4.702 129 HA PHE 16 HA PHE 16 0.262 -2.597 6.858 130 HB2 PHE 16 HB2 PHE 16 0.858 -0.240 6.742 131 HB3 PHE 16 HB3 PHE 16 2.266 -1.212 7.109 132 HD1 PHE 16 HD1 PHE 16 4.143 -1.360 5.517 133 HD2 PHE 16 HD2 PHE 16 0.692 1.016 4.635 134 HE1 PHE 16 HE1 PHE 16 5.393 -0.175 3.767 135 HE2 PHE 16 HE2 PHE 16 1.954 2.189 2.884 136 HZ PHE 16 HZ PHE 16 4.301 1.606 2.458 137 H ARG 17 H ARG 17 -1.655 -1.733 6.320 138 HA ARG 17 HA ARG 17 -2.399 -1.673 3.457 139 HB2 ARG 17 HB2 ARG 17 -4.077 -2.607 5.840 140 HB3 ARG 17 HB3 ARG 17 -4.583 -2.602 4.146 141 HG2 ARG 17 HG2 ARG 17 -2.777 -4.231 3.629 142 HG3 ARG 17 HG3 ARG 17 -2.333 -4.261 5.333 143 HD2 ARG 17 HD2 ARG 17 -3.651 -6.207 4.826 144 HD3 ARG 17 HD3 ARG 17 -4.588 -5.137 5.867 145 HE ARG 17 HE ARG 17 -5.138 -4.772 3.064 146 HH11 ARG 17 HH11 ARG 17 -5.974 -6.658 5.913 147 HH12 ARG 17 HH12 ARG 17 -7.499 -7.183 5.272 148 HH21 ARG 17 HH21 ARG 17 -7.153 -5.484 2.232 149 HH22 ARG 17 HH22 ARG 17 -8.161 -6.517 3.189 150 H PHE 18 H PHE 18 -4.276 -0.265 3.022 151 HA PHE 18 HA PHE 18 -4.566 1.928 5.016 152 HB2 PHE 18 HB2 PHE 18 -3.174 2.699 3.104 153 HB3 PHE 18 HB3 PHE 18 -4.452 2.231 1.991 154 HD1 PHE 18 HD1 PHE 18 -4.778 4.037 5.257 155 HD2 PHE 18 HD2 PHE 18 -5.006 4.289 0.997 156 HE1 PHE 18 HE1 PHE 18 -5.677 6.303 5.427 157 HE2 PHE 18 HE2 PHE 18 -5.876 6.570 1.175 158 HZ PHE 18 HZ PHE 18 -6.237 7.569 3.389 159 H LYS 19 H LYS 19 -6.572 2.525 5.454 160 HA LYS 19 HA LYS 19 -8.733 0.793 4.456 161 HB2 LYS 19 HB2 LYS 19 -8.502 2.432 7.030 162 HB3 LYS 19 HB3 LYS 19 -9.858 1.379 6.608 163 HG2 LYS 19 HG2 LYS 19 -6.985 0.484 7.080 164 HG3 LYS 19 HG3 LYS 19 -8.348 0.258 8.189 165 HD2 LYS 19 HD2 LYS 19 -8.227 -0.897 5.361 166 HD3 LYS 19 HD3 LYS 19 -7.768 -1.795 6.801 167 HE2 LYS 19 HE2 LYS 19 -10.529 -0.581 6.497 168 HE3 LYS 19 HE3 LYS 19 -10.139 -2.179 5.882 169 HZ1 LYS 19 HZ1 LYS 19 -9.906 -1.313 8.704 170 HZ2 LYS 19 HZ2 LYS 19 -9.540 -2.847 8.118 171 HZ3 LYS 19 HZ3 LYS 19 -11.133 -2.286 8.069 172 H ALA 20 H ALA 20 -10.932 1.935 4.955 173 HA ALA 20 HA ALA 20 -11.100 4.675 3.909 174 HB1 ALA 20 HB1 ALA 20 -11.512 3.198 1.978 175 HB2 ALA 20 HB2 ALA 20 -13.005 4.005 2.456 176 HB3 ALA 20 HB3 ALA 20 -12.736 2.316 2.891 177 H SER 21 H SER 21 -13.128 5.706 4.529 178 HA SER 21 HA SER 21 -13.750 5.544 7.176 179 HB2 SER 21 HB2 SER 21 -15.792 6.941 6.586 180 HB3 SER 21 HB3 SER 21 -14.271 7.514 5.900 181 HG SER 21 HG SER 21 -16.112 7.417 4.428 182 H ASN 22 H ASN 22 -15.158 3.601 4.659 183 HA ASN 22 HA ASN 22 -17.413 2.630 6.264 184 HB2 ASN 22 HB2 ASN 22 -16.551 1.939 3.420 185 HB3 ASN 22 HB3 ASN 22 -18.053 1.428 4.185 186 HD21 ASN 22 HD21 ASN 22 -16.330 4.120 2.770 187 HD22 ASN 22 HD22 ASN 22 -17.684 5.183 2.650 188 H GLY 23 H GLY 23 -14.373 1.961 6.648 189 HA2 GLY 23 HA2 GLY 23 -13.157 0.220 7.509 190 HA3 GLY 23 HA3 GLY 23 -14.618 -0.739 7.536 191 H GLU 24 H GLU 24 -13.816 0.609 4.517 192 HA GLU 24 HA GLU 24 -13.252 -1.985 3.314 193 HB2 GLU 24 HB2 GLU 24 -13.395 0.819 2.115 194 HB3 GLU 24 HB3 GLU 24 -13.199 -0.662 1.179 195 HG2 GLU 24 HG2 GLU 24 -15.591 -0.004 2.928 196 HG3 GLU 24 HG3 GLU 24 -15.519 0.197 1.177 197 H THR 25 H THR 25 -11.289 -2.464 2.119 198 HA THR 25 HA THR 25 -8.968 -0.692 2.703 199 HB THR 25 HB THR 25 -8.748 -3.682 2.122 200 HG1 THR 25 HG1 THR 25 -9.764 -3.694 4.029 201 HG21 THR 25 HG21 THR 25 -6.685 -2.338 1.753 202 HG22 THR 25 HG22 THR 25 -6.508 -3.453 3.107 203 HG23 THR 25 HG23 THR 25 -6.796 -1.741 3.413 204 H MET 26 H MET 26 -7.529 -0.346 1.020 205 HA MET 26 HA MET 26 -8.473 -0.983 -1.711 206 HB2 MET 26 HB2 MET 26 -7.524 1.399 -2.260 207 HB3 MET 26 HB3 MET 26 -9.123 1.238 -1.551 208 HG2 MET 26 HG2 MET 26 -7.888 3.067 -0.528 209 HG3 MET 26 HG3 MET 26 -8.223 1.808 0.661 210 HE1 MET 26 HE1 MET 26 -5.638 3.598 -1.523 211 HE2 MET 26 HE2 MET 26 -5.448 1.959 -2.150 212 HE3 MET 26 HE3 MET 26 -4.152 2.702 -1.218 213 H PHE 27 H PHE 27 -5.720 -0.914 0.456 214 HA PHE 27 HA PHE 27 -4.515 -2.691 -1.456 215 HB2 PHE 27 HB2 PHE 27 -2.481 -1.668 -1.957 216 HB3 PHE 27 HB3 PHE 27 -3.587 -0.318 -2.049 217 HD1 PHE 27 HD1 PHE 27 -3.572 1.377 -0.187 218 HD2 PHE 27 HD2 PHE 27 -0.617 -1.648 -0.386 219 HE1 PHE 27 HE1 PHE 27 -2.172 2.713 1.274 220 HE2 PHE 27 HE2 PHE 27 0.820 -0.322 1.113 221 HZ PHE 27 HZ PHE 27 0.052 1.866 1.954 222 H SER 28 H SER 28 -2.789 -3.833 -0.755 223 HA SER 28 HA SER 28 -1.989 -3.735 2.089 224 HB2 SER 28 HB2 SER 28 -3.318 -5.791 1.768 225 HB3 SER 28 HB3 SER 28 -2.354 -6.235 0.360 226 HG SER 28 HG SER 28 -0.796 -6.914 1.626 227 H SER 29 H SER 29 0.276 -3.832 2.354 228 HA SER 29 HA SER 29 1.849 -3.400 -0.114 229 HB2 SER 29 HB2 SER 29 1.936 -1.576 1.552 230 HB3 SER 29 HB3 SER 29 2.446 -2.710 2.800 231 HG SER 29 HG SER 29 3.887 -2.014 0.449 232 H GLU 30 H GLU 30 4.220 -4.197 0.208 233 HA GLU 30 HA GLU 30 4.255 -6.934 1.292 234 HB2 GLU 30 HB2 GLU 30 6.612 -6.955 0.214 235 HB3 GLU 30 HB3 GLU 30 5.215 -6.963 -0.844 236 HG2 GLU 30 HG2 GLU 30 6.938 -5.527 -1.728 237 HG3 GLU 30 HG3 GLU 30 5.516 -4.586 -1.306 238 H GLY 31 H GLY 31 4.636 -3.935 2.538 239 HA2 GLY 31 HA2 GLY 31 4.988 -3.497 4.770 240 HA3 GLY 31 HA3 GLY 31 5.810 -5.031 4.955 241 H TYR 32 H TYR 32 7.422 -4.030 2.498 242 HA TYR 32 HA TYR 32 9.186 -2.766 1.877 243 HB2 TYR 32 HB2 TYR 32 8.222 -0.800 3.095 244 HB3 TYR 32 HB3 TYR 32 9.016 -1.339 4.571 245 HD1 TYR 32 HD1 TYR 32 10.360 -1.162 1.074 246 HD2 TYR 32 HD2 TYR 32 10.607 0.386 5.046 247 HE1 TYR 32 HE1 TYR 32 12.286 0.196 0.415 248 HE2 TYR 32 HE2 TYR 32 12.550 1.747 4.383 249 HH TYR 32 HH TYR 32 13.421 2.210 1.109 250 H LYS 33 H LYS 33 9.410 -3.594 5.358 251 HA LYS 33 HA LYS 33 11.567 -5.465 4.859 252 HB2 LYS 33 HB2 LYS 33 12.686 -3.194 5.047 253 HB3 LYS 33 HB3 LYS 33 12.055 -3.066 6.680 254 HG2 LYS 33 HG2 LYS 33 14.340 -3.730 6.847 255 HG3 LYS 33 HG3 LYS 33 13.359 -5.132 7.284 256 HD2 LYS 33 HD2 LYS 33 13.695 -6.056 4.986 257 HD3 LYS 33 HD3 LYS 33 14.694 -4.653 4.589 258 HE2 LYS 33 HE2 LYS 33 16.294 -5.309 6.375 259 HE3 LYS 33 HE3 LYS 33 15.306 -6.732 6.716 260 HZ1 LYS 33 HZ1 LYS 33 17.079 -7.387 5.322 261 HZ2 LYS 33 HZ2 LYS 33 16.804 -6.124 4.241 262 HZ3 LYS 33 HZ3 LYS 33 15.690 -7.385 4.360 263 H ALA 34 H ALA 34 9.975 -3.614 7.463 264 HA ALA 34 HA ALA 34 8.871 -5.966 8.737 265 HB1 ALA 34 HB1 ALA 34 11.180 -6.016 9.628 266 HB2 ALA 34 HB2 ALA 34 10.017 -5.658 10.903 267 HB3 ALA 34 HB3 ALA 34 10.998 -4.362 10.212 268 H LYS 35 H LYS 35 8.150 -4.778 11.281 269 HA LYS 35 HA LYS 35 6.016 -3.158 10.248 270 HB2 LYS 35 HB2 LYS 35 5.105 -3.167 12.502 271 HB3 LYS 35 HB3 LYS 35 5.543 -4.789 11.988 272 HG2 LYS 35 HG2 LYS 35 7.495 -4.801 13.418 273 HG3 LYS 35 HG3 LYS 35 7.267 -3.094 13.828 274 HD2 LYS 35 HD2 LYS 35 5.119 -3.641 14.912 275 HD3 LYS 35 HD3 LYS 35 5.337 -5.344 14.501 276 HE2 LYS 35 HE2 LYS 35 5.922 -5.050 16.819 277 HE3 LYS 35 HE3 LYS 35 7.408 -5.353 15.922 278 HZ1 LYS 35 HZ1 LYS 35 7.976 -3.069 16.034 279 HZ2 LYS 35 HZ2 LYS 35 7.517 -3.538 17.595 280 HZ3 LYS 35 HZ3 LYS 35 6.458 -2.642 16.634 281 H ALA 36 H ALA 36 8.806 -2.523 12.423 282 HA ALA 36 HA ALA 36 8.335 0.183 12.905 283 HB1 ALA 36 HB1 ALA 36 10.048 -1.091 14.112 284 HB2 ALA 36 HB2 ALA 36 10.756 0.358 13.398 285 HB3 ALA 36 HB3 ALA 36 11.020 -1.219 12.647 286 H SER 37 H SER 37 10.104 -1.393 10.273 287 HA SER 37 HA SER 37 10.814 0.897 8.769 288 HB2 SER 37 HB2 SER 37 10.294 -1.897 7.688 289 HB3 SER 37 HB3 SER 37 11.366 -0.665 7.014 290 HG SER 37 HG SER 37 12.618 -0.858 8.935 291 H ALA 38 H ALA 38 7.846 -0.872 9.109 292 HA ALA 38 HA ALA 38 6.558 0.036 6.724 293 HB1 ALA 38 HB1 ALA 38 5.836 -2.039 7.818 294 HB2 ALA 38 HB2 ALA 38 4.500 -0.895 7.689 295 HB3 ALA 38 HB3 ALA 38 5.315 -1.131 9.242 296 H ILE 39 H ILE 39 6.476 1.135 10.225 297 HA ILE 39 HA ILE 39 4.866 3.376 9.875 298 HB ILE 39 HB ILE 39 7.236 2.971 11.756 299 HG12 ILE 39 HG12 ILE 39 5.289 3.217 13.505 300 HG13 ILE 39 HG13 ILE 39 4.213 2.944 12.138 301 HG21 ILE 39 HG21 ILE 39 7.186 5.375 11.320 302 HG22 ILE 39 HG22 ILE 39 6.602 5.063 12.954 303 HG23 ILE 39 HG23 ILE 39 5.455 5.435 11.663 304 HD11 ILE 39 HD11 ILE 39 4.598 0.946 13.426 305 HD12 ILE 39 HD12 ILE 39 6.334 1.060 13.136 306 HD13 ILE 39 HD13 ILE 39 5.227 0.765 11.790 307 H HIS 40 H HIS 40 8.414 3.079 9.426 308 HA HIS 40 HA HIS 40 8.973 5.745 8.774 309 HB2 HIS 40 HB2 HIS 40 10.418 3.180 8.038 310 HB3 HIS 40 HB3 HIS 40 11.047 4.761 7.593 311 HD1 HIS 40 HD1 HIS 40 11.286 6.435 9.848 312 HD2 HIS 40 HD2 HIS 40 11.425 2.326 10.407 313 HE1 HIS 40 HE1 HIS 40 12.407 6.094 12.065 314 HE2 HIS 40 HE2 HIS 40 12.592 3.601 12.317 315 H ALA 41 H ALA 41 8.011 3.035 6.710 316 HA ALA 41 HA ALA 41 8.128 4.313 4.215 317 HB1 ALA 41 HB1 ALA 41 6.326 2.050 5.154 318 HB2 ALA 41 HB2 ALA 41 7.950 1.869 4.483 319 HB3 ALA 41 HB3 ALA 41 6.643 2.490 3.473 320 H ILE 42 H ILE 42 5.416 3.837 6.491 321 HA ILE 42 HA ILE 42 3.504 5.348 5.131 322 HB ILE 42 HB ILE 42 3.704 4.682 8.087 323 HG12 ILE 42 HG12 ILE 42 1.897 3.440 5.954 324 HG13 ILE 42 HG13 ILE 42 3.492 2.797 6.333 325 HG21 ILE 42 HG21 ILE 42 1.293 5.787 6.580 326 HG22 ILE 42 HG22 ILE 42 2.229 6.654 7.800 327 HG23 ILE 42 HG23 ILE 42 1.293 5.231 8.257 328 HD11 ILE 42 HD11 ILE 42 2.813 2.308 8.571 329 HD12 ILE 42 HD12 ILE 42 1.681 1.598 7.419 330 HD13 ILE 42 HD13 ILE 42 1.239 3.060 8.300 331 H GLU 43 H GLU 43 6.206 6.402 7.062 332 HA GLU 43 HA GLU 43 5.236 8.989 7.733 333 HB2 GLU 43 HB2 GLU 43 8.091 7.983 7.477 334 HB3 GLU 43 HB3 GLU 43 7.689 9.614 8.010 335 HG2 GLU 43 HG2 GLU 43 6.440 8.624 9.942 336 HG3 GLU 43 HG3 GLU 43 6.979 7.025 9.430 337 H SER 44 H SER 44 6.956 7.640 4.906 338 HA SER 44 HA SER 44 7.281 9.979 3.387 339 HB2 SER 44 HB2 SER 44 6.702 7.106 2.635 340 HB3 SER 44 HB3 SER 44 6.749 8.340 1.374 341 HG SER 44 HG SER 44 8.876 8.651 2.955 342 H ILE 45 H ILE 45 4.380 8.029 3.970 343 HA ILE 45 HA ILE 45 2.851 9.140 1.857 344 HB ILE 45 HB ILE 45 1.471 7.939 4.307 345 HG12 ILE 45 HG12 ILE 45 3.390 6.394 3.649 346 HG13 ILE 45 HG13 ILE 45 1.795 5.673 3.508 347 HG21 ILE 45 HG21 ILE 45 -0.100 7.128 2.557 348 HG22 ILE 45 HG22 ILE 45 0.930 7.873 1.315 349 HG23 ILE 45 HG23 ILE 45 0.095 8.883 2.509 350 HD11 ILE 45 HD11 ILE 45 3.191 5.028 1.684 351 HD12 ILE 45 HD12 ILE 45 3.507 6.710 1.272 352 HD13 ILE 45 HD13 ILE 45 1.882 6.041 1.081 353 H LYS 46 H LYS 46 3.211 9.879 5.307 354 HA LYS 46 HA LYS 46 1.116 11.707 5.613 355 HB2 LYS 46 HB2 LYS 46 3.697 11.835 7.214 356 HB3 LYS 46 HB3 LYS 46 2.076 12.299 7.722 357 HG2 LYS 46 HG2 LYS 46 3.216 9.506 7.410 358 HG3 LYS 46 HG3 LYS 46 2.550 10.260 8.861 359 HD2 LYS 46 HD2 LYS 46 0.989 9.384 6.386 360 HD3 LYS 46 HD3 LYS 46 0.987 8.582 7.958 361 HE2 LYS 46 HE2 LYS 46 0.088 11.453 7.644 362 HE3 LYS 46 HE3 LYS 46 -0.994 10.103 7.388 363 HZ1 LYS 46 HZ1 LYS 46 0.533 10.560 9.877 364 HZ2 LYS 46 HZ2 LYS 46 -0.669 9.404 9.618 365 HZ3 LYS 46 HZ3 LYS 46 -1.071 11.041 9.634 366 H ARG 47 H ARG 47 4.176 12.099 4.195 367 HA ARG 47 HA ARG 47 4.629 14.868 4.731 368 HB2 ARG 47 HB2 ARG 47 5.950 12.961 2.799 369 HB3 ARG 47 HB3 ARG 47 6.493 14.622 3.070 370 HG2 ARG 47 HG2 ARG 47 6.800 14.117 5.486 371 HG3 ARG 47 HG3 ARG 47 6.325 12.445 5.182 372 HD2 ARG 47 HD2 ARG 47 8.235 12.198 3.660 373 HD3 ARG 47 HD3 ARG 47 8.699 13.869 3.997 374 HE ARG 47 HE ARG 47 8.479 12.263 6.370 375 HH11 ARG 47 HH11 ARG 47 10.683 13.053 3.750 376 HH12 ARG 47 HH12 ARG 47 12.102 12.715 4.690 377 HH21 ARG 47 HH21 ARG 47 10.341 11.864 7.595 378 HH22 ARG 47 HH22 ARG 47 11.908 12.056 6.873 379 H ASN 48 H ASN 48 3.639 13.183 1.739 380 HA ASN 48 HA ASN 48 2.239 15.476 0.698 381 HB2 ASN 48 HB2 ASN 48 4.817 15.980 0.435 382 HB3 ASN 48 HB3 ASN 48 4.739 14.863 -0.917 383 HD21 ASN 48 HD21 ASN 48 3.866 17.996 0.269 384 HD22 ASN 48 HD22 ASN 48 3.280 18.639 -1.221 385 H SER 49 H SER 49 2.161 12.379 0.931 386 HA SER 49 HA SER 49 2.098 11.336 -1.727 387 HB2 SER 49 HB2 SER 49 2.448 9.971 0.322 388 HB3 SER 49 HB3 SER 49 0.749 10.195 0.729 389 HG SER 49 HG SER 49 1.921 8.732 -1.351 390 H ALA 50 H ALA 50 -0.412 12.647 0.427 391 HA ALA 50 HA ALA 50 -2.633 12.211 -1.239 392 HB1 ALA 50 HB1 ALA 50 -2.826 12.826 1.126 393 HB2 ALA 50 HB2 ALA 50 -3.764 13.920 0.107 394 HB3 ALA 50 HB3 ALA 50 -2.211 14.441 0.769 395 H GLY 51 H GLY 51 -0.020 14.428 -1.582 396 HA2 GLY 51 HA2 GLY 51 -1.372 15.790 -3.855 397 HA3 GLY 51 HA3 GLY 51 0.068 16.359 -3.030 398 H ALA 52 H ALA 52 0.730 13.198 -3.331 399 HA ALA 52 HA ALA 52 2.684 13.557 -5.357 400 HB1 ALA 52 HB1 ALA 52 2.987 12.035 -3.450 401 HB2 ALA 52 HB2 ALA 52 3.214 11.191 -4.984 402 HB3 ALA 52 HB3 ALA 52 1.706 10.987 -4.075 403 H ASP 53 H ASP 53 2.659 13.135 -7.487 404 HA ASP 53 HA ASP 53 0.247 12.795 -8.899 405 HB2 ASP 53 HB2 ASP 53 2.248 14.021 -9.758 406 HB3 ASP 53 HB3 ASP 53 3.095 12.489 -9.951 407 H THR 54 H THR 54 -0.390 11.087 -10.363 408 HA THR 54 HA THR 54 0.436 8.378 -9.474 409 HB THR 54 HB THR 54 -2.199 9.249 -10.744 410 HG1 THR 54 HG1 THR 54 -1.296 9.087 -8.077 411 HG21 THR 54 HG21 THR 54 -1.447 6.647 -9.349 412 HG22 THR 54 HG22 THR 54 -1.728 6.836 -11.082 413 HG23 THR 54 HG23 THR 54 -3.056 7.069 -9.939 414 H VAL 55 H VAL 55 2.027 7.796 -10.904 415 HA VAL 55 HA VAL 55 1.657 8.110 -13.818 416 HB VAL 55 HB VAL 55 4.119 7.140 -12.275 417 HG11 VAL 55 HG11 VAL 55 5.369 7.636 -14.356 418 HG12 VAL 55 HG12 VAL 55 3.858 8.067 -15.163 419 HG13 VAL 55 HG13 VAL 55 4.126 6.411 -14.617 420 HG21 VAL 55 HG21 VAL 55 3.604 9.435 -11.612 421 HG22 VAL 55 HG22 VAL 55 3.516 9.941 -13.301 422 HG23 VAL 55 HG23 VAL 55 5.054 9.410 -12.615 423 H ASP 56 H ASP 56 0.889 6.397 -14.928 424 HA ASP 56 HA ASP 56 1.191 3.623 -13.944 425 HB2 ASP 56 HB2 ASP 56 -1.108 4.251 -14.443 426 HB3 ASP 56 HB3 ASP 56 -0.656 4.838 -16.037 427 H LEU 57 H LEU 57 3.001 2.740 -14.653 428 HA LEU 57 HA LEU 57 4.293 3.362 -17.168 429 HB2 LEU 57 HB2 LEU 57 5.075 1.399 -14.973 430 HB3 LEU 57 HB3 LEU 57 6.060 1.769 -16.373 431 HG LEU 57 HG LEU 57 7.000 2.951 -14.520 432 HD11 LEU 57 HD11 LEU 57 6.897 5.296 -15.180 433 HD12 LEU 57 HD12 LEU 57 5.478 4.971 -16.183 434 HD13 LEU 57 HD13 LEU 57 7.033 4.234 -16.584 435 HD21 LEU 57 HD21 LEU 57 5.795 4.544 -13.106 436 HD22 LEU 57 HD22 LEU 57 5.115 2.925 -12.979 437 HD23 LEU 57 HD23 LEU 57 4.281 4.154 -13.933 438 H THR 58 H THR 58 1.975 0.988 -16.171 439 HA THR 58 HA THR 58 3.018 -1.108 -17.975 440 HB THR 58 HB THR 58 2.407 -1.789 -15.706 441 HG1 THR 58 HG1 THR 58 1.189 -2.920 -17.919 442 HG21 THR 58 HG21 THR 58 -0.447 -1.059 -16.395 443 HG22 THR 58 HG22 THR 58 0.585 -0.207 -15.244 444 HG23 THR 58 HG23 THR 58 0.093 -1.873 -14.928 445 H THR 59 H THR 59 1.453 1.513 -18.722 446 HA THR 59 HA THR 59 -0.626 0.568 -20.441 447 HB THR 59 HB THR 59 0.524 2.864 -21.686 448 HG1 THR 59 HG1 THR 59 0.475 3.249 -18.862 449 HG21 THR 59 HG21 THR 59 -1.903 2.476 -21.403 450 HG22 THR 59 HG22 THR 59 -1.439 4.076 -20.815 451 HG23 THR 59 HG23 THR 59 -1.748 2.767 -19.670 452 H MET 60 H MET 60 2.819 0.475 -20.574 453 HA MET 60 HA MET 60 3.259 -0.139 -23.300 454 HB2 MET 60 HB2 MET 60 5.066 0.478 -21.717 455 HB3 MET 60 HB3 MET 60 4.783 -0.986 -20.789 456 HG2 MET 60 HG2 MET 60 5.541 -2.345 -22.709 457 HG3 MET 60 HG3 MET 60 5.817 -0.866 -23.637 458 HE1 MET 60 HE1 MET 60 8.743 0.795 -21.525 459 HE2 MET 60 HE2 MET 60 7.022 1.062 -21.257 460 HE3 MET 60 HE3 MET 60 7.660 1.005 -22.903 461 H THR 61 H THR 61 1.734 -1.598 -24.060 462 HA THR 61 HA THR 61 0.749 -3.816 -22.547 463 HB THR 61 HB THR 61 0.335 -3.274 -25.481 464 HG1 THR 61 HG1 THR 61 -0.231 -1.669 -23.495 465 HG21 THR 61 HG21 THR 61 -1.862 -4.372 -25.131 466 HG22 THR 61 HG22 THR 61 -1.437 -4.685 -23.447 467 HG23 THR 61 HG23 THR 61 -0.540 -5.476 -24.745 468 H ALA 62 H ALA 62 3.279 -3.418 -24.898 469 HA ALA 62 HA ALA 62 4.414 -5.958 -24.127 470 HB1 ALA 62 HB1 ALA 62 3.035 -6.687 -26.036 471 HB2 ALA 62 HB2 ALA 62 4.754 -6.807 -26.421 472 HB3 ALA 62 HB3 ALA 62 3.795 -5.473 -27.066 473 H MET 1 H MET 1 8.959 17.423 -7.822 474 HA MET 1 HA MET 1 8.809 15.917 -5.968 475 HB2 MET 1 HB2 MET 1 6.830 17.375 -6.620 476 HB3 MET 1 HB3 MET 1 6.143 15.995 -7.465 477 HG2 MET 1 HG2 MET 1 6.108 14.757 -5.292 478 HG3 MET 1 HG3 MET 1 6.662 16.225 -4.486 479 HE1 MET 1 HE1 MET 1 3.556 18.621 -5.418 480 HE2 MET 1 HE2 MET 1 4.926 18.338 -6.490 481 HE3 MET 1 HE3 MET 1 5.189 18.600 -4.765 482 H TYR 2 H TYR 2 8.249 13.853 -5.117 483 HA TYR 2 HA TYR 2 8.493 11.587 -6.819 484 HB2 TYR 2 HB2 TYR 2 7.812 10.309 -4.687 485 HB3 TYR 2 HB3 TYR 2 9.314 11.211 -4.680 486 HD1 TYR 2 HD1 TYR 2 5.677 11.883 -3.781 487 HD2 TYR 2 HD2 TYR 2 9.784 12.304 -2.705 488 HE1 TYR 2 HE1 TYR 2 5.022 12.927 -1.652 489 HE2 TYR 2 HE2 TYR 2 9.137 13.339 -0.594 490 HH TYR 2 HH TYR 2 7.199 14.541 0.371 491 H LYS 3 H LYS 3 6.820 9.716 -6.473 492 HA LYS 3 HA LYS 3 4.090 10.418 -6.824 493 HB2 LYS 3 HB2 LYS 3 4.108 9.651 -9.356 494 HB3 LYS 3 HB3 LYS 3 4.458 11.314 -8.940 495 HG2 LYS 3 HG2 LYS 3 5.937 10.547 -10.703 496 HG3 LYS 3 HG3 LYS 3 6.860 10.918 -9.249 497 HD2 LYS 3 HD2 LYS 3 7.156 8.556 -8.759 498 HD3 LYS 3 HD3 LYS 3 6.053 8.101 -10.067 499 HE2 LYS 3 HE2 LYS 3 7.597 8.844 -11.740 500 HE3 LYS 3 HE3 LYS 3 8.628 9.631 -10.544 501 HZ1 LYS 3 HZ1 LYS 3 8.242 6.750 -11.011 502 HZ2 LYS 3 HZ2 LYS 3 9.025 7.363 -9.648 503 HZ3 LYS 3 HZ3 LYS 3 9.661 7.650 -11.181 504 H PHE 4 H PHE 4 2.964 8.528 -8.070 505 HA PHE 4 HA PHE 4 3.757 6.011 -6.814 506 HB2 PHE 4 HB2 PHE 4 1.139 7.047 -7.962 507 HB3 PHE 4 HB3 PHE 4 1.360 5.355 -7.528 508 HD1 PHE 4 HD1 PHE 4 1.682 4.685 -5.185 509 HD2 PHE 4 HD2 PHE 4 0.817 8.783 -6.184 510 HE1 PHE 4 HE1 PHE 4 1.064 5.140 -2.855 511 HE2 PHE 4 HE2 PHE 4 0.229 9.204 -3.843 512 HZ PHE 4 HZ PHE 4 0.340 7.387 -2.185 513 H GLU 5 H GLU 5 4.813 4.578 -8.049 514 HA GLU 5 HA GLU 5 4.554 4.564 -10.973 515 HB2 GLU 5 HB2 GLU 5 6.444 3.070 -9.103 516 HB3 GLU 5 HB3 GLU 5 6.401 2.822 -10.845 517 HG2 GLU 5 HG2 GLU 5 7.045 5.151 -11.209 518 HG3 GLU 5 HG3 GLU 5 7.079 5.420 -9.459 519 H ILE 6 H ILE 6 2.836 3.418 -11.709 520 HA ILE 6 HA ILE 6 1.933 0.969 -10.332 521 HB ILE 6 HB ILE 6 0.581 2.479 -12.628 522 HG12 ILE 6 HG12 ILE 6 -0.237 2.595 -9.689 523 HG13 ILE 6 HG13 ILE 6 0.757 3.826 -10.463 524 HG21 ILE 6 HG21 ILE 6 -0.507 0.312 -10.768 525 HG22 ILE 6 HG22 ILE 6 -0.043 0.078 -12.457 526 HG23 ILE 6 HG23 ILE 6 -1.411 1.121 -12.054 527 HD11 ILE 6 HD11 ILE 6 -1.047 4.315 -12.021 528 HD12 ILE 6 HD12 ILE 6 -1.570 4.482 -10.347 529 HD13 ILE 6 HD13 ILE 6 -2.041 3.060 -11.273 530 H TYR 7 H TYR 7 2.637 -0.874 -11.222 531 HA TYR 7 HA TYR 7 2.542 -1.240 -14.074 532 HB2 TYR 7 HB2 TYR 7 4.855 -2.007 -14.372 533 HB3 TYR 7 HB3 TYR 7 4.845 -0.343 -13.801 534 HD1 TYR 7 HD1 TYR 7 5.301 0.088 -11.312 535 HD2 TYR 7 HD2 TYR 7 6.034 -3.691 -13.151 536 HE1 TYR 7 HE1 TYR 7 6.761 -0.545 -9.465 537 HE2 TYR 7 HE2 TYR 7 7.494 -4.321 -11.293 538 HH TYR 7 HH TYR 7 8.866 -3.179 -9.585 539 H GLN 8 H GLN 8 3.505 -3.607 -14.459 540 HA GLN 8 HA GLN 8 2.436 -5.369 -12.328 541 HB2 GLN 8 HB2 GLN 8 1.522 -6.891 -13.845 542 HB3 GLN 8 HB3 GLN 8 1.145 -5.346 -14.592 543 HG2 GLN 8 HG2 GLN 8 3.257 -5.734 -16.021 544 HG3 GLN 8 HG3 GLN 8 3.210 -7.386 -15.425 545 HE21 GLN 8 HE21 GLN 8 1.403 -8.706 -15.983 546 HE22 GLN 8 HE22 GLN 8 0.420 -8.355 -17.356 547 H ASP 9 H ASP 9 3.650 -7.124 -11.819 548 HA ASP 9 HA ASP 9 6.494 -6.966 -12.259 549 HB2 ASP 9 HB2 ASP 9 5.669 -7.461 -10.025 550 HB3 ASP 9 HB3 ASP 9 4.697 -8.801 -10.615 551 H LYS 10 H LYS 10 7.726 -8.898 -12.961 552 HA LYS 10 HA LYS 10 7.113 -9.899 -15.427 553 HB2 LYS 10 HB2 LYS 10 8.858 -11.764 -14.857 554 HB3 LYS 10 HB3 LYS 10 9.359 -10.084 -14.901 555 HG2 LYS 10 HG2 LYS 10 10.425 -10.976 -13.017 556 HG3 LYS 10 HG3 LYS 10 9.068 -10.045 -12.379 557 HD2 LYS 10 HD2 LYS 10 7.779 -12.181 -12.153 558 HD3 LYS 10 HD3 LYS 10 9.219 -13.069 -12.667 559 HE2 LYS 10 HE2 LYS 10 10.444 -12.216 -10.720 560 HE3 LYS 10 HE3 LYS 10 9.040 -11.253 -10.251 561 HZ1 LYS 10 HZ1 LYS 10 9.130 -14.219 -10.375 562 HZ2 LYS 10 HZ2 LYS 10 7.793 -13.291 -9.923 563 HZ3 LYS 10 HZ3 LYS 10 9.183 -13.286 -8.963 564 H ALA 11 H ALA 11 6.151 -11.233 -12.381 565 HA ALA 11 HA ALA 11 5.066 -13.718 -13.381 566 HB1 ALA 11 HB1 ALA 11 4.659 -12.338 -10.711 567 HB2 ALA 11 HB2 ALA 11 5.919 -13.515 -11.085 568 HB3 ALA 11 HB3 ALA 11 4.226 -14.011 -11.087 569 H GLY 12 H GLY 12 4.040 -10.796 -14.112 570 HA2 GLY 12 HA2 GLY 12 2.131 -9.914 -14.973 571 HA3 GLY 12 HA3 GLY 12 1.292 -11.398 -14.595 572 H GLU 13 H GLU 13 3.027 -9.649 -12.100 573 HA GLU 13 HA GLU 13 0.468 -9.545 -10.611 574 HB2 GLU 13 HB2 GLU 13 3.346 -9.418 -9.632 575 HB3 GLU 13 HB3 GLU 13 1.937 -9.261 -8.586 576 HG2 GLU 13 HG2 GLU 13 1.209 -11.557 -9.393 577 HG3 GLU 13 HG3 GLU 13 2.783 -11.690 -10.181 578 H TYR 14 H TYR 14 -0.449 -7.643 -11.355 579 HA TYR 14 HA TYR 14 0.683 -5.123 -11.464 580 HB2 TYR 14 HB2 TYR 14 -2.181 -5.931 -10.817 581 HB3 TYR 14 HB3 TYR 14 -1.689 -4.247 -11.034 582 HD1 TYR 14 HD1 TYR 14 -1.002 -3.401 -13.250 583 HD2 TYR 14 HD2 TYR 14 -2.209 -7.472 -12.768 584 HE1 TYR 14 HE1 TYR 14 -1.141 -3.653 -15.689 585 HE2 TYR 14 HE2 TYR 14 -2.366 -7.715 -15.202 586 HH TYR 14 HH TYR 14 -1.045 -5.487 -17.373 587 H ARG 15 H ARG 15 1.182 -3.628 -10.117 588 HA ARG 15 HA ARG 15 0.805 -3.632 -7.237 589 HB2 ARG 15 HB2 ARG 15 3.592 -3.827 -8.489 590 HB3 ARG 15 HB3 ARG 15 3.252 -3.636 -6.771 591 HG2 ARG 15 HG2 ARG 15 2.494 -5.884 -6.568 592 HG3 ARG 15 HG3 ARG 15 2.362 -6.079 -8.317 593 HD2 ARG 15 HD2 ARG 15 4.788 -5.937 -8.553 594 HD3 ARG 15 HD3 ARG 15 4.947 -5.650 -6.827 595 HE ARG 15 HE ARG 15 3.604 -8.119 -7.434 596 HH11 ARG 15 HH11 ARG 15 6.796 -6.696 -7.029 597 HH12 ARG 15 HH12 ARG 15 7.577 -8.221 -6.778 598 HH21 ARG 15 HH21 ARG 15 4.679 -10.132 -7.148 599 HH22 ARG 15 HH22 ARG 15 6.388 -10.153 -6.852 600 H PHE 16 H PHE 16 0.826 -1.463 -6.543 601 HA PHE 16 HA PHE 16 2.262 0.491 -8.255 602 HB2 PHE 16 HB2 PHE 16 0.812 2.260 -7.414 603 HB3 PHE 16 HB3 PHE 16 -0.137 0.992 -8.161 604 HD1 PHE 16 HD1 PHE 16 0.668 2.696 -4.991 605 HD2 PHE 16 HD2 PHE 16 -1.710 -0.352 -6.831 606 HE1 PHE 16 HE1 PHE 16 -0.802 2.656 -3.028 607 HE2 PHE 16 HE2 PHE 16 -3.178 -0.376 -4.856 608 HZ PHE 16 HZ PHE 16 -2.729 1.130 -2.962 609 H ARG 17 H ARG 17 3.752 1.780 -7.335 610 HA ARG 17 HA ARG 17 4.618 1.179 -4.568 611 HB2 ARG 17 HB2 ARG 17 6.314 1.885 -7.021 612 HB3 ARG 17 HB3 ARG 17 6.938 1.610 -5.395 613 HG2 ARG 17 HG2 ARG 17 6.280 -0.730 -5.497 614 HG3 ARG 17 HG3 ARG 17 5.521 -0.487 -7.070 615 HD2 ARG 17 HD2 ARG 17 7.645 -1.524 -7.442 616 HD3 ARG 17 HD3 ARG 17 7.775 0.149 -7.981 617 HE ARG 17 HE ARG 17 8.686 -0.191 -5.297 618 HH11 ARG 17 HH11 ARG 17 9.681 -0.600 -8.646 619 HH12 ARG 17 HH12 ARG 17 11.369 -0.596 -8.263 620 HH21 ARG 17 HH21 ARG 17 10.919 -0.253 -4.819 621 HH22 ARG 17 HH22 ARG 17 12.073 -0.393 -6.108 622 H PHE 18 H PHE 18 5.788 2.994 -3.552 623 HA PHE 18 HA PHE 18 5.075 5.660 -4.690 624 HB2 PHE 18 HB2 PHE 18 3.625 5.166 -2.729 625 HB3 PHE 18 HB3 PHE 18 5.057 4.896 -1.746 626 HD1 PHE 18 HD1 PHE 18 4.473 7.640 -4.229 627 HD2 PHE 18 HD2 PHE 18 4.823 6.577 -0.105 628 HE1 PHE 18 HE1 PHE 18 4.424 10.005 -3.605 629 HE2 PHE 18 HE2 PHE 18 4.742 8.946 0.515 630 HZ PHE 18 HZ PHE 18 4.572 10.666 -1.238 631 H LYS 19 H LYS 19 6.661 7.095 -4.770 632 HA LYS 19 HA LYS 19 9.386 6.111 -4.247 633 HB2 LYS 19 HB2 LYS 19 8.381 8.302 -6.131 634 HB3 LYS 19 HB3 LYS 19 10.050 7.723 -6.011 635 HG2 LYS 19 HG2 LYS 19 7.652 6.065 -6.894 636 HG3 LYS 19 HG3 LYS 19 8.907 6.724 -7.953 637 HD2 LYS 19 HD2 LYS 19 9.502 4.788 -5.667 638 HD3 LYS 19 HD3 LYS 19 9.189 4.255 -7.315 639 HE2 LYS 19 HE2 LYS 19 11.383 6.242 -6.659 640 HE3 LYS 19 HE3 LYS 19 11.644 4.507 -6.627 641 HZ1 LYS 19 HZ1 LYS 19 10.824 6.140 -8.953 642 HZ2 LYS 19 HZ2 LYS 19 10.868 4.454 -8.965 643 HZ3 LYS 19 HZ3 LYS 19 12.297 5.335 -8.739 644 H ALA 20 H ALA 20 10.935 8.097 -4.182 645 HA ALA 20 HA ALA 20 10.096 10.185 -2.285 646 HB1 ALA 20 HB1 ALA 20 12.196 9.883 -0.998 647 HB2 ALA 20 HB2 ALA 20 12.599 8.476 -1.984 648 HB3 ALA 20 HB3 ALA 20 11.190 8.433 -0.926 649 H SER 21 H SER 21 11.520 12.061 -2.405 650 HA SER 21 HA SER 21 11.949 13.053 -4.904 651 HB2 SER 21 HB2 SER 21 13.456 13.902 -2.400 652 HB3 SER 21 HB3 SER 21 13.145 14.902 -3.825 653 HG SER 21 HG SER 21 11.611 15.364 -2.269 654 H ASN 22 H ASN 22 14.179 11.067 -3.075 655 HA ASN 22 HA ASN 22 16.535 11.649 -4.726 656 HB2 ASN 22 HB2 ASN 22 16.195 9.725 -2.386 657 HB3 ASN 22 HB3 ASN 22 17.725 10.182 -3.124 658 HD21 ASN 22 HD21 ASN 22 16.821 10.439 -0.349 659 HD22 ASN 22 HD22 ASN 22 16.980 12.113 0.048 660 H GLY 23 H GLY 23 13.972 10.020 -5.546 661 HA2 GLY 23 HA2 GLY 23 13.470 8.329 -6.999 662 HA3 GLY 23 HA3 GLY 23 15.181 8.074 -7.246 663 H GLU 24 H GLU 24 14.114 7.938 -4.014 664 HA GLU 24 HA GLU 24 14.720 5.099 -3.748 665 HB2 GLU 24 HB2 GLU 24 13.650 7.042 -1.657 666 HB3 GLU 24 HB3 GLU 24 14.404 5.483 -1.342 667 HG2 GLU 24 HG2 GLU 24 15.816 7.872 -2.566 668 HG3 GLU 24 HG3 GLU 24 15.839 7.468 -0.852 669 H THR 25 H THR 25 13.161 3.513 -2.951 670 HA THR 25 HA THR 25 10.298 4.339 -3.069 671 HB THR 25 HB THR 25 11.344 1.508 -3.550 672 HG1 THR 25 HG1 THR 25 11.794 3.278 -5.173 673 HG21 THR 25 HG21 THR 25 8.612 2.730 -4.065 674 HG22 THR 25 HG22 THR 25 8.998 1.627 -2.741 675 HG23 THR 25 HG23 THR 25 9.088 1.065 -4.412 676 H MET 26 H MET 26 8.947 3.523 -1.473 677 HA MET 26 HA MET 26 10.248 2.440 0.956 678 HB2 MET 26 HB2 MET 26 8.492 3.951 2.190 679 HB3 MET 26 HB3 MET 26 9.986 4.655 1.590 680 HG2 MET 26 HG2 MET 26 8.087 6.104 1.132 681 HG3 MET 26 HG3 MET 26 8.808 5.534 -0.373 682 HE1 MET 26 HE1 MET 26 6.368 3.671 2.108 683 HE2 MET 26 HE2 MET 26 4.827 4.112 1.376 684 HE3 MET 26 HE3 MET 26 5.863 5.360 2.071 685 H PHE 27 H PHE 27 7.553 2.142 -1.260 686 HA PHE 27 HA PHE 27 7.257 -0.482 -0.125 687 HB2 PHE 27 HB2 PHE 27 5.021 -0.556 0.545 688 HB3 PHE 27 HB3 PHE 27 5.529 1.005 1.154 689 HD1 PHE 27 HD1 PHE 27 4.758 3.075 -0.081 690 HD2 PHE 27 HD2 PHE 27 3.181 -0.742 -1.021 691 HE1 PHE 27 HE1 PHE 27 2.846 4.166 -1.102 692 HE2 PHE 27 HE2 PHE 27 1.246 0.333 -2.094 693 HZ PHE 27 HZ PHE 27 1.059 2.793 -2.132 694 H SER 28 H SER 28 6.060 -1.888 -1.279 695 HA SER 28 HA SER 28 5.090 -1.175 -3.981 696 HB2 SER 28 HB2 SER 28 7.165 -2.555 -4.210 697 HB3 SER 28 HB3 SER 28 6.460 -3.800 -3.184 698 HG SER 28 HG SER 28 6.261 -4.181 -5.479 699 H SER 29 H SER 29 3.032 -2.066 -4.426 700 HA SER 29 HA SER 29 1.583 -3.104 -2.063 701 HB2 SER 29 HB2 SER 29 0.707 -1.005 -3.065 702 HB3 SER 29 HB3 SER 29 0.543 -1.807 -4.625 703 HG SER 29 HG SER 29 -0.828 -2.446 -2.224 704 H GLU 30 H GLU 30 -0.331 -4.581 -2.806 705 HA GLU 30 HA GLU 30 0.645 -6.636 -4.667 706 HB2 GLU 30 HB2 GLU 30 -1.939 -6.800 -3.062 707 HB3 GLU 30 HB3 GLU 30 -0.941 -8.110 -3.687 708 HG2 GLU 30 HG2 GLU 30 0.872 -7.247 -2.026 709 HG3 GLU 30 HG3 GLU 30 -0.433 -6.347 -1.281 710 H GLY 31 H GLY 31 -0.923 -3.767 -4.945 711 HA2 GLY 31 HA2 GLY 31 -1.592 -2.800 -6.922 712 HA3 GLY 31 HA3 GLY 31 -1.766 -4.382 -7.650 713 H TYR 32 H TYR 32 -3.459 -4.949 -5.127 714 HA TYR 32 HA TYR 32 -5.527 -4.765 -4.246 715 HB2 TYR 32 HB2 TYR 32 -5.540 -2.311 -4.593 716 HB3 TYR 32 HB3 TYR 32 -6.068 -2.532 -6.258 717 HD1 TYR 32 HD1 TYR 32 -7.201 -3.888 -2.917 718 HD2 TYR 32 HD2 TYR 32 -8.329 -1.902 -6.534 719 HE1 TYR 32 HE1 TYR 32 -9.535 -3.806 -2.148 720 HE2 TYR 32 HE2 TYR 32 -10.652 -1.828 -5.760 721 HH TYR 32 HH TYR 32 -11.560 -2.451 -2.575 722 H LYS 33 H LYS 33 -5.660 -4.392 -7.815 723 HA LYS 33 HA LYS 33 -6.890 -7.002 -8.115 724 HB2 LYS 33 HB2 LYS 33 -8.821 -5.467 -7.626 725 HB3 LYS 33 HB3 LYS 33 -8.390 -4.506 -9.026 726 HG2 LYS 33 HG2 LYS 33 -10.234 -5.904 -9.640 727 HG3 LYS 33 HG3 LYS 33 -8.802 -6.518 -10.475 728 HD2 LYS 33 HD2 LYS 33 -8.568 -8.286 -8.744 729 HD3 LYS 33 HD3 LYS 33 -10.005 -7.665 -7.926 730 HE2 LYS 33 HE2 LYS 33 -11.359 -8.187 -9.940 731 HE3 LYS 33 HE3 LYS 33 -9.919 -8.838 -10.730 732 HZ1 LYS 33 HZ1 LYS 33 -11.221 -10.599 -9.788 733 HZ2 LYS 33 HZ2 LYS 33 -11.193 -9.879 -8.261 734 HZ3 LYS 33 HZ3 LYS 33 -9.769 -10.477 -8.940 735 H ALA 34 H ALA 34 -6.294 -3.929 -9.832 736 HA ALA 34 HA ALA 34 -4.476 -5.110 -11.744 737 HB1 ALA 34 HB1 ALA 34 -5.805 -4.577 -13.755 738 HB2 ALA 34 HB2 ALA 34 -7.155 -4.054 -12.743 739 HB3 ALA 34 HB3 ALA 34 -6.656 -5.747 -12.744 740 H LYS 35 H LYS 35 -4.446 -2.961 -13.691 741 HA LYS 35 HA LYS 35 -3.053 -1.083 -12.020 742 HB2 LYS 35 HB2 LYS 35 -2.252 -0.015 -13.993 743 HB3 LYS 35 HB3 LYS 35 -2.108 -1.748 -14.198 744 HG2 LYS 35 HG2 LYS 35 -4.447 -0.258 -15.408 745 HG3 LYS 35 HG3 LYS 35 -2.868 -0.267 -16.200 746 HD2 LYS 35 HD2 LYS 35 -2.943 -2.788 -16.125 747 HD3 LYS 35 HD3 LYS 35 -4.608 -2.662 -15.551 748 HE2 LYS 35 HE2 LYS 35 -5.286 -1.578 -17.620 749 HE3 LYS 35 HE3 LYS 35 -3.611 -1.497 -18.176 750 HZ1 LYS 35 HZ1 LYS 35 -4.804 -3.305 -19.213 751 HZ2 LYS 35 HZ2 LYS 35 -5.166 -3.978 -17.708 752 HZ3 LYS 35 HZ3 LYS 35 -3.562 -3.905 -18.237 753 H ALA 36 H ALA 36 -6.006 -0.906 -14.067 754 HA ALA 36 HA ALA 36 -6.666 1.771 -13.589 755 HB1 ALA 36 HB1 ALA 36 -7.847 0.431 -15.262 756 HB2 ALA 36 HB2 ALA 36 -8.997 1.146 -14.131 757 HB3 ALA 36 HB3 ALA 36 -8.564 -0.562 -13.992 758 H SER 37 H SER 37 -7.470 -1.142 -11.756 759 HA SER 37 HA SER 37 -8.918 0.060 -9.635 760 HB2 SER 37 HB2 SER 37 -7.302 -2.516 -9.585 761 HB3 SER 37 HB3 SER 37 -8.628 -2.078 -8.505 762 HG SER 37 HG SER 37 -9.929 -1.968 -10.467 763 H ALA 38 H ALA 38 -5.527 -0.198 -10.339 764 HA ALA 38 HA ALA 38 -4.540 0.289 -7.697 765 HB1 ALA 38 HB1 ALA 38 -3.106 0.587 -10.357 766 HB2 ALA 38 HB2 ALA 38 -3.145 -0.866 -9.358 767 HB3 ALA 38 HB3 ALA 38 -2.351 0.593 -8.761 768 H ILE 39 H ILE 39 -5.127 2.419 -10.629 769 HA ILE 39 HA ILE 39 -4.486 4.860 -9.462 770 HB ILE 39 HB ILE 39 -6.611 4.180 -11.543 771 HG12 ILE 39 HG12 ILE 39 -4.998 5.808 -12.923 772 HG13 ILE 39 HG13 ILE 39 -3.837 5.410 -11.667 773 HG21 ILE 39 HG21 ILE 39 -6.000 6.982 -10.535 774 HG22 ILE 39 HG22 ILE 39 -7.532 6.119 -10.390 775 HG23 ILE 39 HG23 ILE 39 -6.950 6.611 -11.979 776 HD11 ILE 39 HD11 ILE 39 -3.555 4.069 -13.659 777 HD12 ILE 39 HD12 ILE 39 -5.202 3.460 -13.502 778 HD13 ILE 39 HD13 ILE 39 -3.993 3.065 -12.277 779 H HIS 40 H HIS 40 -7.574 3.059 -9.338 780 HA HIS 40 HA HIS 40 -9.117 4.948 -7.931 781 HB2 HIS 40 HB2 HIS 40 -9.432 1.917 -7.871 782 HB3 HIS 40 HB3 HIS 40 -10.677 3.096 -7.454 783 HD1 HIS 40 HD1 HIS 40 -11.024 0.939 -9.684 784 HD2 HIS 40 HD2 HIS 40 -9.885 4.873 -10.370 785 HE1 HIS 40 HE1 HIS 40 -11.648 1.429 -12.059 786 HE2 HIS 40 HE2 HIS 40 -10.936 3.798 -12.452 787 H ALA 41 H ALA 41 -7.038 2.306 -6.801 788 HA ALA 41 HA ALA 41 -7.471 2.534 -4.034 789 HB1 ALA 41 HB1 ALA 41 -5.368 1.275 -3.831 790 HB2 ALA 41 HB2 ALA 41 -4.988 1.603 -5.526 791 HB3 ALA 41 HB3 ALA 41 -6.373 0.591 -5.112 792 H ILE 42 H ILE 42 -4.948 3.917 -6.151 793 HA ILE 42 HA ILE 42 -3.678 5.506 -4.235 794 HB ILE 42 HB ILE 42 -3.805 5.819 -7.254 795 HG12 ILE 42 HG12 ILE 42 -1.528 4.749 -5.510 796 HG13 ILE 42 HG13 ILE 42 -2.763 3.704 -6.203 797 HG21 ILE 42 HG21 ILE 42 -1.926 7.220 -5.304 798 HG22 ILE 42 HG22 ILE 42 -3.186 7.993 -6.266 799 HG23 ILE 42 HG23 ILE 42 -1.793 7.269 -7.067 800 HD11 ILE 42 HD11 ILE 42 -0.903 5.446 -7.793 801 HD12 ILE 42 HD12 ILE 42 -2.072 4.274 -8.415 802 HD13 ILE 42 HD13 ILE 42 -0.689 3.727 -7.469 803 H GLU 43 H GLU 43 -6.702 6.007 -5.893 804 HA GLU 43 HA GLU 43 -6.851 8.833 -5.601 805 HB2 GLU 43 HB2 GLU 43 -9.015 6.746 -5.984 806 HB3 GLU 43 HB3 GLU 43 -9.385 8.463 -5.816 807 HG2 GLU 43 HG2 GLU 43 -7.985 8.939 -7.817 808 HG3 GLU 43 HG3 GLU 43 -7.677 7.212 -7.990 809 H SER 44 H SER 44 -7.717 6.075 -3.511 810 HA SER 44 HA SER 44 -8.829 7.456 -1.332 811 HB2 SER 44 HB2 SER 44 -7.078 4.998 -1.509 812 HB3 SER 44 HB3 SER 44 -7.631 5.581 0.058 813 HG SER 44 HG SER 44 -9.696 5.494 -1.670 814 H ILE 45 H ILE 45 -5.451 7.093 -2.315 815 HA ILE 45 HA ILE 45 -4.326 7.959 0.139 816 HB ILE 45 HB ILE 45 -2.753 8.258 -2.470 817 HG12 ILE 45 HG12 ILE 45 -3.887 5.968 -2.478 818 HG13 ILE 45 HG13 ILE 45 -2.133 5.920 -2.500 819 HG21 ILE 45 HG21 ILE 45 -1.732 9.010 -0.372 820 HG22 ILE 45 HG22 ILE 45 -0.883 7.588 -0.978 821 HG23 ILE 45 HG23 ILE 45 -2.034 7.426 0.366 822 HD11 ILE 45 HD11 ILE 45 -3.917 5.419 -0.137 823 HD12 ILE 45 HD12 ILE 45 -2.152 5.389 -0.104 824 HD13 ILE 45 HD13 ILE 45 -3.038 4.216 -1.075 825 H LYS 46 H LYS 46 -5.186 9.585 -2.891 826 HA LYS 46 HA LYS 46 -3.972 12.064 -2.433 827 HB2 LYS 46 HB2 LYS 46 -6.536 11.897 -4.037 828 HB3 LYS 46 HB3 LYS 46 -5.112 12.892 -4.306 829 HG2 LYS 46 HG2 LYS 46 -5.545 9.988 -4.997 830 HG3 LYS 46 HG3 LYS 46 -5.112 11.323 -6.061 831 HD2 LYS 46 HD2 LYS 46 -3.311 9.991 -3.996 832 HD3 LYS 46 HD3 LYS 46 -3.212 9.794 -5.744 833 HE2 LYS 46 HE2 LYS 46 -2.736 12.372 -4.254 834 HE3 LYS 46 HE3 LYS 46 -1.510 11.302 -4.843 835 HZ1 LYS 46 HZ1 LYS 46 -1.790 13.057 -6.387 836 HZ2 LYS 46 HZ2 LYS 46 -3.460 12.826 -6.453 837 HZ3 LYS 46 HZ3 LYS 46 -2.422 11.657 -7.099 838 H ARG 47 H ARG 47 -6.844 10.748 -1.180 839 HA ARG 47 HA ARG 47 -8.367 13.152 -0.819 840 HB2 ARG 47 HB2 ARG 47 -8.797 10.496 0.591 841 HB3 ARG 47 HB3 ARG 47 -9.979 11.787 0.406 842 HG2 ARG 47 HG2 ARG 47 -8.859 9.995 -1.748 843 HG3 ARG 47 HG3 ARG 47 -10.502 10.008 -1.125 844 HD2 ARG 47 HD2 ARG 47 -10.920 12.188 -2.147 845 HD3 ARG 47 HD3 ARG 47 -9.226 12.320 -2.641 846 HE ARG 47 HE ARG 47 -10.857 10.090 -3.668 847 HH11 ARG 47 HH11 ARG 47 -9.141 13.080 -4.354 848 HH12 ARG 47 HH12 ARG 47 -9.181 12.849 -6.073 849 HH21 ARG 47 HH21 ARG 47 -10.894 9.797 -5.932 850 HH22 ARG 47 HH22 ARG 47 -10.171 10.994 -6.960 851 H ASN 48 H ASN 48 -6.598 11.105 1.522 852 HA ASN 48 HA ASN 48 -6.139 13.260 3.384 853 HB2 ASN 48 HB2 ASN 48 -8.600 12.893 3.705 854 HB3 ASN 48 HB3 ASN 48 -8.277 11.246 4.214 855 HD21 ASN 48 HD21 ASN 48 -7.858 14.629 5.074 856 HD22 ASN 48 HD22 ASN 48 -7.650 14.374 6.769 857 H SER 49 H SER 49 -4.889 10.704 2.129 858 HA SER 49 HA SER 49 -4.239 8.950 4.285 859 HB2 SER 49 HB2 SER 49 -4.171 8.333 1.873 860 HB3 SER 49 HB3 SER 49 -2.718 9.308 1.697 861 HG SER 49 HG SER 49 -3.103 6.874 2.997 862 H ALA 50 H ALA 50 -2.594 11.761 2.867 863 HA ALA 50 HA ALA 50 -0.272 11.695 4.453 864 HB1 ALA 50 HB1 ALA 50 -1.661 14.098 3.248 865 HB2 ALA 50 HB2 ALA 50 -0.488 13.058 2.434 866 HB3 ALA 50 HB3 ALA 50 0.012 14.035 3.816 867 H GLY 51 H GLY 51 -3.509 12.485 5.319 868 HA2 GLY 51 HA2 GLY 51 -2.645 13.438 7.994 869 HA3 GLY 51 HA3 GLY 51 -4.247 13.631 7.305 870 H ALA 52 H ALA 52 -3.596 10.558 6.510 871 HA ALA 52 HA ALA 52 -5.393 9.438 8.391 872 HB1 ALA 52 HB1 ALA 52 -3.569 8.053 6.399 873 HB2 ALA 52 HB2 ALA 52 -5.207 8.633 6.083 874 HB3 ALA 52 HB3 ALA 52 -4.952 7.309 7.221 875 H ASP 53 H ASP 53 -5.058 8.413 10.264 876 HA ASP 53 HA ASP 53 -2.631 8.552 11.676 877 HB2 ASP 53 HB2 ASP 53 -4.852 8.581 12.746 878 HB3 ASP 53 HB3 ASP 53 -5.147 6.922 12.250 879 H THR 54 H THR 54 -1.292 6.848 12.512 880 HA THR 54 HA THR 54 -1.043 4.490 10.730 881 HB THR 54 HB THR 54 1.120 5.849 12.400 882 HG1 THR 54 HG1 THR 54 0.344 6.114 9.671 883 HG21 THR 54 HG21 THR 54 2.715 4.564 10.996 884 HG22 THR 54 HG22 THR 54 1.365 3.759 10.192 885 HG23 THR 54 HG23 THR 54 1.663 3.475 11.909 886 H VAL 55 H VAL 55 -2.204 2.909 11.783 887 HA VAL 55 HA VAL 55 -1.768 2.360 14.646 888 HB VAL 55 HB VAL 55 -3.778 1.126 12.695 889 HG11 VAL 55 HG11 VAL 55 -3.282 -0.399 14.545 890 HG12 VAL 55 HG12 VAL 55 -4.909 0.255 14.722 891 HG13 VAL 55 HG13 VAL 55 -3.595 0.879 15.722 892 HG21 VAL 55 HG21 VAL 55 -4.201 3.291 14.787 893 HG22 VAL 55 HG22 VAL 55 -5.477 2.502 13.855 894 HG23 VAL 55 HG23 VAL 55 -4.273 3.492 13.034 895 H ASP 56 H ASP 56 -0.333 0.812 15.195 896 HA ASP 56 HA ASP 56 0.380 -1.352 13.308 897 HB2 ASP 56 HB2 ASP 56 2.182 0.131 14.382 898 HB3 ASP 56 HB3 ASP 56 1.828 -0.680 15.905 899 H LEU 57 H LEU 57 -0.874 -3.069 13.563 900 HA LEU 57 HA LEU 57 -2.135 -3.855 16.051 901 HB2 LEU 57 HB2 LEU 57 -2.238 -5.169 13.302 902 HB3 LEU 57 HB3 LEU 57 -3.216 -5.636 14.681 903 HG LEU 57 HG LEU 57 -4.641 -4.393 13.236 904 HD11 LEU 57 HD11 LEU 57 -5.353 -2.470 14.551 905 HD12 LEU 57 HD12 LEU 57 -3.840 -2.498 15.459 906 HD13 LEU 57 HD13 LEU 57 -4.974 -3.844 15.587 907 HD21 LEU 57 HD21 LEU 57 -2.983 -3.305 11.832 908 HD22 LEU 57 HD22 LEU 57 -2.585 -2.175 13.128 909 HD23 LEU 57 HD23 LEU 57 -4.189 -2.149 12.390 910 H THR 58 H THR 58 0.855 -4.689 14.470 911 HA THR 58 HA THR 58 0.830 -7.415 15.614 912 HB THR 58 HB THR 58 1.303 -7.236 13.173 913 HG1 THR 58 HG1 THR 58 2.319 -8.837 14.777 914 HG21 THR 58 HG21 THR 58 3.898 -5.916 14.013 915 HG22 THR 58 HG22 THR 58 2.582 -5.120 13.150 916 HG23 THR 58 HG23 THR 58 3.479 -6.435 12.385 917 H THR 59 H THR 59 1.504 -4.571 16.826 918 HA THR 59 HA THR 59 4.004 -5.129 18.176 919 HB THR 59 HB THR 59 3.043 -3.276 19.797 920 HG1 THR 59 HG1 THR 59 1.395 -2.641 17.590 921 HG21 THR 59 HG21 THR 59 3.677 -1.443 18.268 922 HG22 THR 59 HG22 THR 59 3.617 -2.557 16.902 923 HG23 THR 59 HG23 THR 59 4.828 -2.780 18.164 924 H MET 60 H MET 60 0.581 -5.700 18.664 925 HA MET 60 HA MET 60 0.937 -6.849 21.348 926 HB2 MET 60 HB2 MET 60 -0.890 -5.244 21.037 927 HB3 MET 60 HB3 MET 60 -1.542 -6.181 19.700 928 HG2 MET 60 HG2 MET 60 -2.880 -6.497 21.701 929 HG3 MET 60 HG3 MET 60 -2.088 -8.012 21.264 930 HE1 MET 60 HE1 MET 60 -2.692 -8.942 23.717 931 HE2 MET 60 HE2 MET 60 -3.435 -7.402 24.156 932 HE3 MET 60 HE3 MET 60 -2.222 -8.132 25.208 933 H THR 61 H THR 61 -0.690 -7.734 18.283 934 HA THR 61 HA THR 61 -0.347 -10.625 18.872 935 HB THR 61 HB THR 61 -2.381 -10.958 17.428 936 HG1 THR 61 HG1 THR 61 -3.025 -9.333 16.249 937 HG21 THR 61 HG21 THR 61 -2.868 -9.060 19.755 938 HG22 THR 61 HG22 THR 61 -2.687 -10.810 19.875 939 HG23 THR 61 HG23 THR 61 -4.073 -10.129 19.025 940 H ALA 62 H ALA 62 -1.000 -11.535 16.246 941 HA ALA 62 HA ALA 62 1.050 -10.301 14.484 942 HB1 ALA 62 HB1 ALA 62 1.481 -12.688 14.980 943 HB2 ALA 62 HB2 ALA 62 1.097 -12.448 13.276 944 HB3 ALA 62 HB3 ALA 62 -0.121 -13.113 14.365 Start of MODEL 5 1 H MET 1 H MET 1 -11.689 10.210 10.716 2 HA MET 1 HA MET 1 -12.989 8.904 9.169 3 HB2 MET 1 HB2 MET 1 -11.706 10.979 8.442 4 HB3 MET 1 HB3 MET 1 -10.406 9.932 7.895 5 HG2 MET 1 HG2 MET 1 -12.032 8.870 6.302 6 HG3 MET 1 HG3 MET 1 -13.225 10.070 6.785 7 HE1 MET 1 HE1 MET 1 -11.348 12.711 7.098 8 HE2 MET 1 HE2 MET 1 -12.902 12.760 6.263 9 HE3 MET 1 HE3 MET 1 -11.459 13.400 5.478 10 H TYR 2 H TYR 2 -9.543 8.230 8.557 11 HA TYR 2 HA TYR 2 -9.888 5.367 8.787 12 HB2 TYR 2 HB2 TYR 2 -8.712 5.063 6.451 13 HB3 TYR 2 HB3 TYR 2 -10.454 5.278 6.535 14 HD1 TYR 2 HD1 TYR 2 -7.460 7.605 6.385 15 HD2 TYR 2 HD2 TYR 2 -11.286 6.557 4.789 16 HE1 TYR 2 HE1 TYR 2 -7.294 9.446 4.771 17 HE2 TYR 2 HE2 TYR 2 -11.121 8.390 3.190 18 HH TYR 2 HH TYR 2 -9.896 10.595 3.040 19 H LYS 3 H LYS 3 -7.629 4.329 8.019 20 HA LYS 3 HA LYS 3 -5.327 5.836 8.796 21 HB2 LYS 3 HB2 LYS 3 -4.909 4.380 10.924 22 HB3 LYS 3 HB3 LYS 3 -5.993 5.750 11.039 23 HG2 LYS 3 HG2 LYS 3 -6.986 3.998 12.293 24 HG3 LYS 3 HG3 LYS 3 -7.933 4.144 10.812 25 HD2 LYS 3 HD2 LYS 3 -6.822 2.159 9.874 26 HD3 LYS 3 HD3 LYS 3 -5.773 2.051 11.293 27 HE2 LYS 3 HE2 LYS 3 -8.796 1.759 11.318 28 HE3 LYS 3 HE3 LYS 3 -7.641 0.430 11.398 29 HZ1 LYS 3 HZ1 LYS 3 -8.464 0.992 13.572 30 HZ2 LYS 3 HZ2 LYS 3 -7.950 2.594 13.410 31 HZ3 LYS 3 HZ3 LYS 3 -6.814 1.343 13.482 32 H PHE 4 H PHE 4 -3.467 4.251 9.350 33 HA PHE 4 HA PHE 4 -3.373 2.118 7.325 34 HB2 PHE 4 HB2 PHE 4 -1.194 3.643 8.816 35 HB3 PHE 4 HB3 PHE 4 -0.862 2.258 7.781 36 HD1 PHE 4 HD1 PHE 4 -1.989 5.800 7.816 37 HD2 PHE 4 HD2 PHE 4 -0.901 2.455 5.373 38 HE1 PHE 4 HE1 PHE 4 -1.790 7.280 5.855 39 HE2 PHE 4 HE2 PHE 4 -0.713 3.941 3.428 40 HZ PHE 4 HZ PHE 4 -1.149 6.347 3.668 41 H GLU 5 H GLU 5 -3.649 0.109 8.071 42 HA GLU 5 HA GLU 5 -3.091 -0.556 10.884 43 HB2 GLU 5 HB2 GLU 5 -4.575 -2.088 8.712 44 HB3 GLU 5 HB3 GLU 5 -4.157 -2.799 10.270 45 HG2 GLU 5 HG2 GLU 5 -5.450 -0.870 11.343 46 HG3 GLU 5 HG3 GLU 5 -6.049 -0.499 9.723 47 H ILE 6 H ILE 6 -1.100 -1.235 11.330 48 HA ILE 6 HA ILE 6 0.535 -2.659 9.315 49 HB ILE 6 HB ILE 6 1.462 -1.299 11.895 50 HG12 ILE 6 HG12 ILE 6 1.827 -0.226 9.066 51 HG13 ILE 6 HG13 ILE 6 0.545 0.315 10.142 52 HG21 ILE 6 HG21 ILE 6 3.743 -1.609 10.971 53 HG22 ILE 6 HG22 ILE 6 3.073 -2.392 9.539 54 HG23 ILE 6 HG23 ILE 6 2.912 -3.166 11.119 55 HD11 ILE 6 HD11 ILE 6 3.503 0.574 10.607 56 HD12 ILE 6 HD12 ILE 6 2.244 1.091 11.734 57 HD13 ILE 6 HD13 ILE 6 2.387 1.859 10.152 58 H TYR 7 H TYR 7 0.656 -4.789 9.720 59 HA TYR 7 HA TYR 7 1.157 -5.765 12.369 60 HB2 TYR 7 HB2 TYR 7 -0.776 -7.308 12.538 61 HB3 TYR 7 HB3 TYR 7 -1.304 -5.629 12.493 62 HD1 TYR 7 HD1 TYR 7 -2.391 -4.712 10.412 63 HD2 TYR 7 HD2 TYR 7 -1.415 -8.858 10.771 64 HE1 TYR 7 HE1 TYR 7 -3.854 -5.239 8.519 65 HE2 TYR 7 HE2 TYR 7 -2.879 -9.375 8.878 66 HH TYR 7 HH TYR 7 -4.779 -8.427 7.731 67 H GLN 8 H GLN 8 0.896 -8.329 12.185 68 HA GLN 8 HA GLN 8 2.145 -9.222 9.663 69 HB2 GLN 8 HB2 GLN 8 3.640 -10.695 10.742 70 HB3 GLN 8 HB3 GLN 8 3.743 -9.216 11.686 71 HG2 GLN 8 HG2 GLN 8 2.112 -10.305 13.312 72 HG3 GLN 8 HG3 GLN 8 2.366 -11.803 12.439 73 HE21 GLN 8 HE21 GLN 8 4.519 -12.687 12.421 74 HE22 GLN 8 HE22 GLN 8 5.627 -12.344 13.699 75 H ASP 9 H ASP 9 1.450 -11.259 8.941 76 HA ASP 9 HA ASP 9 -1.222 -12.060 9.959 77 HB2 ASP 9 HB2 ASP 9 -1.756 -12.844 7.707 78 HB3 ASP 9 HB3 ASP 9 -1.212 -11.170 7.621 79 H LYS 10 H LYS 10 -1.595 -14.471 8.988 80 HA LYS 10 HA LYS 10 -0.653 -16.165 10.856 81 HB2 LYS 10 HB2 LYS 10 -1.515 -18.034 9.568 82 HB3 LYS 10 HB3 LYS 10 -2.597 -16.657 9.428 83 HG2 LYS 10 HG2 LYS 10 -0.552 -17.228 7.270 84 HG3 LYS 10 HG3 LYS 10 -2.077 -18.108 7.310 85 HD2 LYS 10 HD2 LYS 10 -1.827 -15.079 7.165 86 HD3 LYS 10 HD3 LYS 10 -2.100 -16.129 5.772 87 HE2 LYS 10 HE2 LYS 10 -4.240 -16.887 6.809 88 HE3 LYS 10 HE3 LYS 10 -3.963 -15.776 8.151 89 HZ1 LYS 10 HZ1 LYS 10 -4.059 -13.936 6.635 90 HZ2 LYS 10 HZ2 LYS 10 -5.462 -14.866 6.488 91 HZ3 LYS 10 HZ3 LYS 10 -4.256 -14.974 5.313 92 H ALA 11 H ALA 11 0.995 -15.503 7.835 93 HA ALA 11 HA ALA 11 2.857 -17.748 7.996 94 HB1 ALA 11 HB1 ALA 11 2.070 -16.926 5.812 95 HB2 ALA 11 HB2 ALA 11 3.824 -16.778 5.941 96 HB3 ALA 11 HB3 ALA 11 2.803 -15.351 6.131 97 H GLY 12 H GLY 12 2.703 -15.334 10.031 98 HA2 GLY 12 HA2 GLY 12 4.018 -13.928 11.236 99 HA3 GLY 12 HA3 GLY 12 5.377 -14.927 10.762 100 H GLU 13 H GLU 13 3.303 -13.281 8.468 101 HA GLU 13 HA GLU 13 5.727 -12.014 7.336 102 HB2 GLU 13 HB2 GLU 13 4.498 -13.597 5.874 103 HB3 GLU 13 HB3 GLU 13 3.029 -12.648 6.055 104 HG2 GLU 13 HG2 GLU 13 4.064 -12.187 3.905 105 HG3 GLU 13 HG3 GLU 13 4.100 -10.746 4.919 106 H TYR 14 H TYR 14 5.767 -9.765 6.928 107 HA TYR 14 HA TYR 14 3.811 -8.296 8.573 108 HB2 TYR 14 HB2 TYR 14 6.664 -7.645 7.780 109 HB3 TYR 14 HB3 TYR 14 5.573 -6.383 8.350 110 HD1 TYR 14 HD1 TYR 14 7.343 -9.494 9.338 111 HD2 TYR 14 HD2 TYR 14 4.898 -6.263 10.703 112 HE1 TYR 14 HE1 TYR 14 7.811 -10.117 11.662 113 HE2 TYR 14 HE2 TYR 14 5.364 -6.902 13.025 114 HH TYR 14 HH TYR 14 6.043 -8.969 14.272 115 H ARG 15 H ARG 15 2.512 -6.948 7.752 116 HA ARG 15 HA ARG 15 2.642 -5.899 5.021 117 HB2 ARG 15 HB2 ARG 15 0.624 -7.885 5.990 118 HB3 ARG 15 HB3 ARG 15 -0.109 -6.464 5.270 119 HG2 ARG 15 HG2 ARG 15 0.066 -8.104 3.560 120 HG3 ARG 15 HG3 ARG 15 1.262 -6.861 3.218 121 HD2 ARG 15 HD2 ARG 15 2.549 -8.732 2.842 122 HD3 ARG 15 HD3 ARG 15 2.865 -8.538 4.551 123 HE ARG 15 HE ARG 15 1.678 -10.425 5.011 124 HH11 ARG 15 HH11 ARG 15 1.084 -9.615 1.644 125 HH12 ARG 15 HH12 ARG 15 0.462 -11.183 1.263 126 HH21 ARG 15 HH21 ARG 15 0.889 -12.466 4.486 127 HH22 ARG 15 HH22 ARG 15 0.344 -12.801 2.871 128 H PHE 16 H PHE 16 2.019 -3.785 4.976 129 HA PHE 16 HA PHE 16 0.206 -2.807 7.095 130 HB2 PHE 16 HB2 PHE 16 1.135 -0.546 6.787 131 HB3 PHE 16 HB3 PHE 16 2.340 -1.684 7.354 132 HD1 PHE 16 HD1 PHE 16 4.191 -2.404 5.854 133 HD2 PHE 16 HD2 PHE 16 1.395 0.593 4.637 134 HE1 PHE 16 HE1 PHE 16 5.771 -1.615 4.145 135 HE2 PHE 16 HE2 PHE 16 2.983 1.369 2.928 136 HZ PHE 16 HZ PHE 16 5.175 0.273 2.701 137 H ARG 17 H ARG 17 -1.620 -1.871 6.458 138 HA ARG 17 HA ARG 17 -2.222 -1.655 3.566 139 HB2 ARG 17 HB2 ARG 17 -4.403 -2.738 3.979 140 HB3 ARG 17 HB3 ARG 17 -3.109 -3.807 4.505 141 HG2 ARG 17 HG2 ARG 17 -3.519 -2.852 6.870 142 HG3 ARG 17 HG3 ARG 17 -5.018 -2.197 6.221 143 HD2 ARG 17 HD2 ARG 17 -4.344 -5.137 6.020 144 HD3 ARG 17 HD3 ARG 17 -5.087 -4.460 7.463 145 HE ARG 17 HE ARG 17 -6.658 -3.760 5.223 146 HH11 ARG 17 HH11 ARG 17 -5.752 -6.637 7.014 147 HH12 ARG 17 HH12 ARG 17 -7.267 -7.436 6.758 148 HH21 ARG 17 HH21 ARG 17 -8.672 -4.876 4.896 149 HH22 ARG 17 HH22 ARG 17 -8.901 -6.446 5.578 150 H PHE 18 H PHE 18 -4.089 -0.271 3.148 151 HA PHE 18 HA PHE 18 -4.420 1.884 5.185 152 HB2 PHE 18 HB2 PHE 18 -3.069 2.701 3.259 153 HB3 PHE 18 HB3 PHE 18 -4.353 2.225 2.160 154 HD1 PHE 18 HD1 PHE 18 -4.674 4.034 5.442 155 HD2 PHE 18 HD2 PHE 18 -4.927 4.275 1.179 156 HE1 PHE 18 HE1 PHE 18 -5.580 6.313 5.609 157 HE2 PHE 18 HE2 PHE 18 -5.798 6.559 1.349 158 HZ PHE 18 HZ PHE 18 -6.153 7.567 3.569 159 H LYS 19 H LYS 19 -6.421 2.455 5.624 160 HA LYS 19 HA LYS 19 -8.560 0.692 4.649 161 HB2 LYS 19 HB2 LYS 19 -8.308 2.279 7.254 162 HB3 LYS 19 HB3 LYS 19 -9.640 1.201 6.832 163 HG2 LYS 19 HG2 LYS 19 -6.739 0.362 7.206 164 HG3 LYS 19 HG3 LYS 19 -8.051 0.090 8.360 165 HD2 LYS 19 HD2 LYS 19 -8.001 -1.032 5.518 166 HD3 LYS 19 HD3 LYS 19 -7.500 -1.941 6.940 167 HE2 LYS 19 HE2 LYS 19 -10.279 -0.736 6.706 168 HE3 LYS 19 HE3 LYS 19 -9.897 -2.333 6.084 169 HZ1 LYS 19 HZ1 LYS 19 -10.842 -2.344 8.332 170 HZ2 LYS 19 HZ2 LYS 19 -9.490 -1.498 8.892 171 HZ3 LYS 19 HZ3 LYS 19 -9.312 -3.053 8.263 172 H ALA 20 H ALA 20 -10.772 1.835 5.214 173 HA ALA 20 HA ALA 20 -10.918 4.510 3.981 174 HB1 ALA 20 HB1 ALA 20 -12.830 3.763 2.606 175 HB2 ALA 20 HB2 ALA 20 -12.629 2.115 3.209 176 HB3 ALA 20 HB3 ALA 20 -11.370 2.848 2.216 177 H SER 21 H SER 21 -12.889 5.618 4.513 178 HA SER 21 HA SER 21 -13.596 5.876 7.050 179 HB2 SER 21 HB2 SER 21 -15.549 6.298 4.770 180 HB3 SER 21 HB3 SER 21 -15.544 7.134 6.325 181 HG SER 21 HG SER 21 -14.149 7.685 4.091 182 H ASN 22 H ASN 22 -15.200 3.464 4.944 183 HA ASN 22 HA ASN 22 -17.046 2.716 7.154 184 HB2 ASN 22 HB2 ASN 22 -17.196 1.969 4.202 185 HB3 ASN 22 HB3 ASN 22 -18.387 1.547 5.430 186 HD21 ASN 22 HD21 ASN 22 -17.042 4.130 3.507 187 HD22 ASN 22 HD22 ASN 22 -18.325 5.262 3.761 188 H GLY 23 H GLY 23 -14.092 1.912 6.588 189 HA2 GLY 23 HA2 GLY 23 -12.920 0.191 7.615 190 HA3 GLY 23 HA3 GLY 23 -14.382 -0.766 7.692 191 H GLU 24 H GLU 24 -13.808 0.459 4.584 192 HA GLU 24 HA GLU 24 -13.102 -2.124 3.474 193 HB2 GLU 24 HB2 GLU 24 -13.344 0.632 2.196 194 HB3 GLU 24 HB3 GLU 24 -13.020 -0.843 1.284 195 HG2 GLU 24 HG2 GLU 24 -15.506 -0.288 2.934 196 HG3 GLU 24 HG3 GLU 24 -15.386 -0.172 1.180 197 H THR 25 H THR 25 -11.163 -2.558 2.192 198 HA THR 25 HA THR 25 -8.810 -0.851 2.837 199 HB THR 25 HB THR 25 -8.759 -3.859 2.349 200 HG1 THR 25 HG1 THR 25 -9.756 -3.139 4.345 201 HG21 THR 25 HG21 THR 25 -6.582 -1.985 3.336 202 HG22 THR 25 HG22 THR 25 -6.629 -2.748 1.745 203 HG23 THR 25 HG23 THR 25 -6.443 -3.736 3.196 204 H MET 26 H MET 26 -7.458 -0.363 1.183 205 HA MET 26 HA MET 26 -8.409 -0.950 -1.560 206 HB2 MET 26 HB2 MET 26 -7.439 1.419 -2.035 207 HB3 MET 26 HB3 MET 26 -8.998 1.284 -1.233 208 HG2 MET 26 HG2 MET 26 -7.650 3.013 -0.200 209 HG3 MET 26 HG3 MET 26 -7.924 1.701 0.945 210 HE1 MET 26 HE1 MET 26 -5.351 1.853 -2.062 211 HE2 MET 26 HE2 MET 26 -3.964 2.548 -1.223 212 HE3 MET 26 HE3 MET 26 -5.442 3.490 -1.409 213 H PHE 27 H PHE 27 -5.528 -0.697 0.528 214 HA PHE 27 HA PHE 27 -4.282 -2.463 -1.426 215 HB2 PHE 27 HB2 PHE 27 -2.295 -1.346 -1.844 216 HB3 PHE 27 HB3 PHE 27 -3.411 -0.003 -1.805 217 HD1 PHE 27 HD1 PHE 27 -3.306 1.601 0.088 218 HD2 PHE 27 HD2 PHE 27 -0.475 -1.546 -0.203 219 HE1 PHE 27 HE1 PHE 27 -1.885 2.816 1.609 220 HE2 PHE 27 HE2 PHE 27 0.996 -0.337 1.361 221 HZ PHE 27 HZ PHE 27 0.308 1.853 2.281 222 H SER 28 H SER 28 -2.730 -3.728 -0.702 223 HA SER 28 HA SER 28 -1.939 -3.721 2.143 224 HB2 SER 28 HB2 SER 28 -3.441 -5.664 1.792 225 HB3 SER 28 HB3 SER 28 -2.524 -6.154 0.367 226 HG SER 28 HG SER 28 -1.195 -7.149 1.627 227 H SER 29 H SER 29 0.325 -3.850 2.334 228 HA SER 29 HA SER 29 1.823 -3.498 -0.182 229 HB2 SER 29 HB2 SER 29 2.022 -1.746 1.569 230 HB3 SER 29 HB3 SER 29 2.617 -2.948 2.712 231 HG SER 29 HG SER 29 3.862 -2.158 0.282 232 H GLU 30 H GLU 30 4.258 -4.380 0.237 233 HA GLU 30 HA GLU 30 4.093 -7.227 0.870 234 HB2 GLU 30 HB2 GLU 30 6.586 -5.696 0.059 235 HB3 GLU 30 HB3 GLU 30 6.280 -7.424 -0.080 236 HG2 GLU 30 HG2 GLU 30 4.467 -6.809 -1.784 237 HG3 GLU 30 HG3 GLU 30 5.123 -5.183 -1.760 238 H GLY 31 H GLY 31 4.509 -4.420 2.616 239 HA2 GLY 31 HA2 GLY 31 4.821 -4.270 4.926 240 HA3 GLY 31 HA3 GLY 31 5.673 -5.804 4.924 241 H TYR 32 H TYR 32 7.261 -4.744 2.589 242 HA TYR 32 HA TYR 32 8.941 -3.410 1.921 243 HB2 TYR 32 HB2 TYR 32 7.854 -1.490 3.131 244 HB3 TYR 32 HB3 TYR 32 8.792 -1.902 4.561 245 HD1 TYR 32 HD1 TYR 32 9.856 -1.814 0.951 246 HD2 TYR 32 HD2 TYR 32 10.292 -0.065 4.830 247 HE1 TYR 32 HE1 TYR 32 11.684 -0.410 0.109 248 HE2 TYR 32 HE2 TYR 32 12.116 1.334 3.978 249 HH TYR 32 HH TYR 32 12.760 1.755 0.699 250 H LYS 33 H LYS 33 9.222 -4.233 5.383 251 HA LYS 33 HA LYS 33 11.212 -6.226 4.853 252 HB2 LYS 33 HB2 LYS 33 12.711 -4.270 4.895 253 HB3 LYS 33 HB3 LYS 33 12.040 -3.741 6.430 254 HG2 LYS 33 HG2 LYS 33 14.242 -4.775 6.726 255 HG3 LYS 33 HG3 LYS 33 12.988 -5.694 7.561 256 HD2 LYS 33 HD2 LYS 33 12.944 -7.293 5.614 257 HD3 LYS 33 HD3 LYS 33 14.298 -6.403 4.909 258 HE2 LYS 33 HE2 LYS 33 14.331 -7.822 7.596 259 HE3 LYS 33 HE3 LYS 33 15.038 -8.439 6.103 260 HZ1 LYS 33 HZ1 LYS 33 16.514 -6.491 6.087 261 HZ2 LYS 33 HZ2 LYS 33 16.724 -7.456 7.455 262 HZ3 LYS 33 HZ3 LYS 33 15.878 -6.001 7.578 263 H ALA 34 H ALA 34 9.856 -4.138 7.400 264 HA ALA 34 HA ALA 34 8.663 -6.312 8.869 265 HB1 ALA 34 HB1 ALA 34 11.009 -4.852 10.157 266 HB2 ALA 34 HB2 ALA 34 11.026 -6.535 9.628 267 HB3 ALA 34 HB3 ALA 34 9.964 -6.038 10.946 268 H LYS 35 H LYS 35 8.236 -4.924 11.374 269 HA LYS 35 HA LYS 35 6.204 -3.169 10.379 270 HB2 LYS 35 HB2 LYS 35 5.574 -2.896 12.816 271 HB3 LYS 35 HB3 LYS 35 5.486 -4.513 12.158 272 HG2 LYS 35 HG2 LYS 35 6.332 -4.802 14.333 273 HG3 LYS 35 HG3 LYS 35 7.735 -4.978 13.287 274 HD2 LYS 35 HD2 LYS 35 8.196 -3.671 15.374 275 HD3 LYS 35 HD3 LYS 35 8.545 -2.769 13.900 276 HE2 LYS 35 HE2 LYS 35 7.418 -1.374 15.603 277 HE3 LYS 35 HE3 LYS 35 6.456 -1.514 14.133 278 HZ1 LYS 35 HZ1 LYS 35 5.186 -1.735 16.219 279 HZ2 LYS 35 HZ2 LYS 35 6.017 -3.169 16.551 280 HZ3 LYS 35 HZ3 LYS 35 5.019 -3.055 15.189 281 H ALA 36 H ALA 36 9.239 -2.631 12.219 282 HA ALA 36 HA ALA 36 8.972 0.123 12.633 283 HB1 ALA 36 HB1 ALA 36 10.720 -1.186 13.733 284 HB2 ALA 36 HB2 ALA 36 11.442 0.172 12.868 285 HB3 ALA 36 HB3 ALA 36 11.528 -1.455 12.189 286 H SER 37 H SER 37 10.362 -1.618 9.876 287 HA SER 37 HA SER 37 10.963 0.632 8.239 288 HB2 SER 37 HB2 SER 37 10.394 -2.257 7.448 289 HB3 SER 37 HB3 SER 37 11.120 -1.035 6.395 290 HG SER 37 HG SER 37 12.944 -1.567 7.256 291 H ALA 38 H ALA 38 8.030 -1.110 8.928 292 HA ALA 38 HA ALA 38 6.530 -0.307 6.636 293 HB1 ALA 38 HB1 ALA 38 5.544 -1.334 9.308 294 HB2 ALA 38 HB2 ALA 38 5.936 -2.317 7.897 295 HB3 ALA 38 HB3 ALA 38 4.583 -1.185 7.836 296 H ILE 39 H ILE 39 6.549 0.868 10.106 297 HA ILE 39 HA ILE 39 4.921 3.070 9.852 298 HB ILE 39 HB ILE 39 7.329 2.548 11.634 299 HG12 ILE 39 HG12 ILE 39 5.392 2.969 13.430 300 HG13 ILE 39 HG13 ILE 39 4.323 2.686 12.067 301 HG21 ILE 39 HG21 ILE 39 5.783 5.162 11.655 302 HG22 ILE 39 HG22 ILE 39 7.493 4.951 11.272 303 HG23 ILE 39 HG23 ILE 39 6.916 4.643 12.909 304 HD11 ILE 39 HD11 ILE 39 6.360 0.762 13.168 305 HD12 ILE 39 HD12 ILE 39 5.277 0.453 11.806 306 HD13 ILE 39 HD13 ILE 39 4.615 0.715 13.420 307 H HIS 40 H HIS 40 8.471 2.934 9.283 308 HA HIS 40 HA HIS 40 8.805 5.658 8.619 309 HB2 HIS 40 HB2 HIS 40 10.518 3.203 8.198 310 HB3 HIS 40 HB3 HIS 40 10.996 4.729 7.450 311 HD1 HIS 40 HD1 HIS 40 12.059 6.467 8.925 312 HD2 HIS 40 HD2 HIS 40 10.441 3.322 11.094 313 HE1 HIS 40 HE1 HIS 40 12.802 6.834 11.289 314 HE2 HIS 40 HE2 HIS 40 11.799 4.924 12.584 315 H ALA 41 H ALA 41 8.051 2.849 6.592 316 HA ALA 41 HA ALA 41 8.216 4.088 4.075 317 HB1 ALA 41 HB1 ALA 41 6.776 2.260 3.292 318 HB2 ALA 41 HB2 ALA 41 6.362 1.837 4.958 319 HB3 ALA 41 HB3 ALA 41 8.016 1.634 4.382 320 H ILE 42 H ILE 42 5.451 3.590 6.281 321 HA ILE 42 HA ILE 42 3.563 5.096 4.860 322 HB ILE 42 HB ILE 42 3.731 4.361 7.798 323 HG12 ILE 42 HG12 ILE 42 1.958 3.215 5.588 324 HG13 ILE 42 HG13 ILE 42 3.529 2.539 6.008 325 HG21 ILE 42 HG21 ILE 42 2.267 6.330 7.639 326 HG22 ILE 42 HG22 ILE 42 1.300 4.891 7.967 327 HG23 ILE 42 HG23 ILE 42 1.346 5.571 6.338 328 HD11 ILE 42 HD11 ILE 42 2.759 1.984 8.192 329 HD12 ILE 42 HD12 ILE 42 1.652 1.338 6.981 330 HD13 ILE 42 HD13 ILE 42 1.209 2.777 7.897 331 H GLU 43 H GLU 43 6.227 6.180 6.799 332 HA GLU 43 HA GLU 43 5.111 8.731 7.506 333 HB2 GLU 43 HB2 GLU 43 7.969 7.709 7.607 334 HB3 GLU 43 HB3 GLU 43 7.527 9.356 8.071 335 HG2 GLU 43 HG2 GLU 43 5.926 8.372 9.759 336 HG3 GLU 43 HG3 GLU 43 6.561 6.779 9.367 337 H SER 44 H SER 44 6.952 7.448 4.762 338 HA SER 44 HA SER 44 7.314 9.764 3.233 339 HB2 SER 44 HB2 SER 44 6.479 6.955 2.448 340 HB3 SER 44 HB3 SER 44 6.766 8.189 1.227 341 HG SER 44 HG SER 44 8.533 6.877 2.951 342 H ILE 45 H ILE 45 4.351 7.908 3.842 343 HA ILE 45 HA ILE 45 2.839 9.107 1.739 344 HB ILE 45 HB ILE 45 1.456 7.818 4.140 345 HG12 ILE 45 HG12 ILE 45 3.389 6.292 3.351 346 HG13 ILE 45 HG13 ILE 45 1.781 5.583 3.315 347 HG21 ILE 45 HG21 ILE 45 0.912 7.894 1.148 348 HG22 ILE 45 HG22 ILE 45 0.096 8.860 2.391 349 HG23 ILE 45 HG23 ILE 45 -0.129 7.110 2.355 350 HD11 ILE 45 HD11 ILE 45 3.276 6.675 0.948 351 HD12 ILE 45 HD12 ILE 45 1.685 5.914 0.910 352 HD13 ILE 45 HD13 ILE 45 3.100 4.980 1.380 353 H LYS 46 H LYS 46 3.204 9.638 5.224 354 HA LYS 46 HA LYS 46 1.165 11.492 5.643 355 HB2 LYS 46 HB2 LYS 46 3.750 11.419 7.238 356 HB3 LYS 46 HB3 LYS 46 2.150 11.898 7.788 357 HG2 LYS 46 HG2 LYS 46 3.197 9.106 7.268 358 HG3 LYS 46 HG3 LYS 46 2.580 9.782 8.774 359 HD2 LYS 46 HD2 LYS 46 0.978 9.035 6.295 360 HD3 LYS 46 HD3 LYS 46 0.940 8.231 7.867 361 HE2 LYS 46 HE2 LYS 46 0.020 11.072 7.320 362 HE3 LYS 46 HE3 LYS 46 -1.022 9.679 7.497 363 HZ1 LYS 46 HZ1 LYS 46 0.774 10.788 9.572 364 HZ2 LYS 46 HZ2 LYS 46 -0.209 9.425 9.765 365 HZ3 LYS 46 HZ3 LYS 46 -0.909 10.942 9.518 366 H ARG 47 H ARG 47 4.125 11.912 4.082 367 HA ARG 47 HA ARG 47 4.708 14.624 4.779 368 HB2 ARG 47 HB2 ARG 47 5.690 13.044 2.368 369 HB3 ARG 47 HB3 ARG 47 6.380 14.554 2.959 370 HG2 ARG 47 HG2 ARG 47 6.371 11.885 4.394 371 HG3 ARG 47 HG3 ARG 47 7.759 12.670 3.648 372 HD2 ARG 47 HD2 ARG 47 7.723 14.438 5.313 373 HD3 ARG 47 HD3 ARG 47 6.206 13.834 5.987 374 HE ARG 47 HE ARG 47 8.456 11.981 6.020 375 HH11 ARG 47 HH11 ARG 47 6.534 14.270 7.875 376 HH12 ARG 47 HH12 ARG 47 7.127 13.706 9.405 377 HH21 ARG 47 HH21 ARG 47 9.205 11.234 8.030 378 HH22 ARG 47 HH22 ARG 47 8.654 11.988 9.494 379 H ASN 48 H ASN 48 3.697 13.336 1.573 380 HA ASN 48 HA ASN 48 1.992 15.618 0.994 381 HB2 ASN 48 HB2 ASN 48 4.233 16.612 0.605 382 HB3 ASN 48 HB3 ASN 48 4.649 15.308 -0.495 383 HD21 ASN 48 HD21 ASN 48 2.567 18.125 -0.072 384 HD22 ASN 48 HD22 ASN 48 2.298 18.408 -1.754 385 H SER 49 H SER 49 2.087 12.537 0.974 386 HA SER 49 HA SER 49 2.055 11.624 -1.721 387 HB2 SER 49 HB2 SER 49 2.471 10.164 0.224 388 HB3 SER 49 HB3 SER 49 0.790 10.334 0.718 389 HG SER 49 HG SER 49 1.899 8.726 -1.150 390 H ALA 50 H ALA 50 -0.544 12.769 0.416 391 HA ALA 50 HA ALA 50 -2.737 12.241 -1.257 392 HB1 ALA 50 HB1 ALA 50 -2.402 14.522 0.710 393 HB2 ALA 50 HB2 ALA 50 -2.923 12.885 1.112 394 HB3 ALA 50 HB3 ALA 50 -3.933 13.900 0.078 395 H GLY 51 H GLY 51 -0.282 14.721 -1.435 396 HA2 GLY 51 HA2 GLY 51 -1.624 16.019 -3.741 397 HA3 GLY 51 HA3 GLY 51 -0.355 16.734 -2.760 398 H ALA 52 H ALA 52 0.614 13.600 -3.216 399 HA ALA 52 HA ALA 52 2.600 14.012 -5.134 400 HB1 ALA 52 HB1 ALA 52 2.640 12.150 -3.520 401 HB2 ALA 52 HB2 ALA 52 2.842 11.550 -5.167 402 HB3 ALA 52 HB3 ALA 52 1.281 11.381 -4.347 403 H ASP 53 H ASP 53 2.785 12.591 -7.187 404 HA ASP 53 HA ASP 53 0.374 12.963 -8.857 405 HB2 ASP 53 HB2 ASP 53 3.217 12.357 -9.753 406 HB3 ASP 53 HB3 ASP 53 1.861 12.767 -10.798 407 H THR 54 H THR 54 -0.401 11.223 -10.185 408 HA THR 54 HA THR 54 0.472 8.500 -9.378 409 HB THR 54 HB THR 54 -2.273 9.390 -10.384 410 HG1 THR 54 HG1 THR 54 -1.420 8.638 -7.757 411 HG21 THR 54 HG21 THR 54 -1.361 6.699 -9.258 412 HG22 THR 54 HG22 THR 54 -1.802 7.016 -10.939 413 HG23 THR 54 HG23 THR 54 -3.024 7.128 -9.668 414 H VAL 55 H VAL 55 1.786 7.731 -10.903 415 HA VAL 55 HA VAL 55 1.332 8.278 -13.779 416 HB VAL 55 HB VAL 55 3.898 7.288 -12.443 417 HG11 VAL 55 HG11 VAL 55 3.749 6.736 -14.841 418 HG12 VAL 55 HG12 VAL 55 5.004 7.944 -14.560 419 HG13 VAL 55 HG13 VAL 55 3.443 8.432 -15.230 420 HG21 VAL 55 HG21 VAL 55 3.352 9.537 -11.589 421 HG22 VAL 55 HG22 VAL 55 3.209 10.149 -13.239 422 HG23 VAL 55 HG23 VAL 55 4.773 9.593 -12.634 423 H ASP 56 H ASP 56 0.645 6.582 -14.985 424 HA ASP 56 HA ASP 56 1.070 3.801 -14.050 425 HB2 ASP 56 HB2 ASP 56 -1.297 4.462 -14.450 426 HB3 ASP 56 HB3 ASP 56 -0.911 4.841 -16.125 427 H LEU 57 H LEU 57 2.855 3.021 -14.874 428 HA LEU 57 HA LEU 57 4.023 3.806 -17.393 429 HB2 LEU 57 HB2 LEU 57 4.892 1.728 -15.342 430 HB3 LEU 57 HB3 LEU 57 5.822 2.153 -16.766 431 HG LEU 57 HG LEU 57 6.826 3.250 -14.874 432 HD11 LEU 57 HD11 LEU 57 5.298 5.320 -16.469 433 HD12 LEU 57 HD12 LEU 57 6.834 4.570 -16.914 434 HD13 LEU 57 HD13 LEU 57 6.742 5.610 -15.493 435 HD21 LEU 57 HD21 LEU 57 4.949 3.205 -13.308 436 HD22 LEU 57 HD22 LEU 57 4.134 4.482 -14.215 437 HD23 LEU 57 HD23 LEU 57 5.662 4.815 -13.397 438 H THR 58 H THR 58 1.723 1.354 -16.495 439 HA THR 58 HA THR 58 2.746 -0.619 -18.433 440 HB THR 58 HB THR 58 2.145 -1.503 -16.241 441 HG1 THR 58 HG1 THR 58 0.205 -2.392 -18.126 442 HG21 THR 58 HG21 THR 58 0.401 0.095 -15.575 443 HG22 THR 58 HG22 THR 58 -0.144 -1.573 -15.398 444 HG23 THR 58 HG23 THR 58 -0.701 -0.597 -16.762 445 H THR 59 H THR 59 1.421 2.038 -19.065 446 HA THR 59 HA THR 59 -0.072 0.963 -21.362 447 HB THR 59 HB THR 59 -1.339 3.199 -21.405 448 HG1 THR 59 HG1 THR 59 -0.519 3.299 -18.668 449 HG21 THR 59 HG21 THR 59 -2.495 1.135 -20.747 450 HG22 THR 59 HG22 THR 59 -3.063 2.497 -19.783 451 HG23 THR 59 HG23 THR 59 -1.937 1.333 -19.084 452 H MET 60 H MET 60 1.895 3.547 -19.921 453 HA MET 60 HA MET 60 2.488 4.943 -22.338 454 HB2 MET 60 HB2 MET 60 3.921 5.020 -19.647 455 HB3 MET 60 HB3 MET 60 4.124 6.197 -20.940 456 HG2 MET 60 HG2 MET 60 1.831 6.938 -20.686 457 HG3 MET 60 HG3 MET 60 1.514 5.664 -19.504 458 HE1 MET 60 HE1 MET 60 1.374 8.760 -17.177 459 HE2 MET 60 HE2 MET 60 0.553 7.304 -17.741 460 HE3 MET 60 HE3 MET 60 0.766 8.677 -18.829 461 H THR 61 H THR 61 4.782 3.201 -20.187 462 HA THR 61 HA THR 61 6.121 1.958 -22.480 463 HB THR 61 HB THR 61 8.391 2.671 -21.487 464 HG1 THR 61 HG1 THR 61 7.791 3.562 -19.541 465 HG21 THR 61 HG21 THR 61 7.601 3.629 -23.624 466 HG22 THR 61 HG22 THR 61 8.486 4.824 -22.677 467 HG23 THR 61 HG23 THR 61 6.725 4.885 -22.742 468 H ALA 62 H ALA 62 6.022 -0.086 -21.924 469 HA ALA 62 HA ALA 62 7.444 -1.334 -19.888 470 HB1 ALA 62 HB1 ALA 62 4.452 -1.273 -19.270 471 HB2 ALA 62 HB2 ALA 62 5.720 -0.502 -18.316 472 HB3 ALA 62 HB3 ALA 62 5.659 -2.259 -18.435 473 H MET 1 H MET 1 7.839 16.469 -8.638 474 HA MET 1 HA MET 1 9.398 15.879 -6.200 475 HB2 MET 1 HB2 MET 1 7.355 17.527 -6.045 476 HB3 MET 1 HB3 MET 1 6.359 16.110 -6.332 477 HG2 MET 1 HG2 MET 1 7.039 15.111 -4.272 478 HG3 MET 1 HG3 MET 1 8.350 16.270 -4.066 479 HE1 MET 1 HE1 MET 1 6.943 15.977 -1.534 480 HE2 MET 1 HE2 MET 1 6.352 17.585 -1.115 481 HE3 MET 1 HE3 MET 1 7.958 17.395 -1.815 482 H TYR 2 H TYR 2 8.034 13.852 -5.173 483 HA TYR 2 HA TYR 2 8.463 11.681 -6.998 484 HB2 TYR 2 HB2 TYR 2 7.697 10.302 -4.961 485 HB3 TYR 2 HB3 TYR 2 9.179 11.232 -4.820 486 HD1 TYR 2 HD1 TYR 2 5.476 11.709 -4.148 487 HD2 TYR 2 HD2 TYR 2 9.479 12.409 -2.824 488 HE1 TYR 2 HE1 TYR 2 4.618 12.747 -2.097 489 HE2 TYR 2 HE2 TYR 2 8.615 13.452 -0.790 490 HH TYR 2 HH TYR 2 6.497 14.557 -0.016 491 H LYS 3 H LYS 3 6.737 9.770 -6.625 492 HA LYS 3 HA LYS 3 4.011 10.462 -7.054 493 HB2 LYS 3 HB2 LYS 3 4.082 9.680 -9.568 494 HB3 LYS 3 HB3 LYS 3 4.511 11.330 -9.163 495 HG2 LYS 3 HG2 LYS 3 6.054 10.583 -10.812 496 HG3 LYS 3 HG3 LYS 3 6.928 10.696 -9.285 497 HD2 LYS 3 HD2 LYS 3 6.716 8.218 -9.028 498 HD3 LYS 3 HD3 LYS 3 5.912 8.148 -10.603 499 HE2 LYS 3 HE2 LYS 3 8.757 9.051 -10.044 500 HE3 LYS 3 HE3 LYS 3 8.254 7.588 -10.894 501 HZ1 LYS 3 HZ1 LYS 3 7.849 10.384 -11.822 502 HZ2 LYS 3 HZ2 LYS 3 7.275 9.010 -12.621 503 HZ3 LYS 3 HZ3 LYS 3 8.934 9.255 -12.458 504 H PHE 4 H PHE 4 2.868 8.542 -8.196 505 HA PHE 4 HA PHE 4 3.735 6.018 -6.955 506 HB2 PHE 4 HB2 PHE 4 1.046 6.928 -8.070 507 HB3 PHE 4 HB3 PHE 4 1.357 5.308 -7.459 508 HD1 PHE 4 HD1 PHE 4 0.824 8.862 -6.496 509 HD2 PHE 4 HD2 PHE 4 1.572 4.885 -5.062 510 HE1 PHE 4 HE1 PHE 4 0.175 9.542 -4.230 511 HE2 PHE 4 HE2 PHE 4 0.908 5.589 -2.803 512 HZ PHE 4 HZ PHE 4 0.211 7.907 -2.391 513 H GLU 5 H GLU 5 4.717 4.613 -8.285 514 HA GLU 5 HA GLU 5 4.268 4.708 -11.190 515 HB2 GLU 5 HB2 GLU 5 6.409 3.327 -9.526 516 HB3 GLU 5 HB3 GLU 5 6.189 3.012 -11.249 517 HG2 GLU 5 HG2 GLU 5 6.415 5.569 -11.566 518 HG3 GLU 5 HG3 GLU 5 7.035 5.588 -9.911 519 H ILE 6 H ILE 6 2.674 3.502 -11.953 520 HA ILE 6 HA ILE 6 1.862 0.993 -10.604 521 HB ILE 6 HB ILE 6 0.310 2.630 -12.672 522 HG12 ILE 6 HG12 ILE 6 -0.243 2.529 -9.674 523 HG13 ILE 6 HG13 ILE 6 0.669 3.824 -10.439 524 HG21 ILE 6 HG21 ILE 6 -0.604 0.329 -10.881 525 HG22 ILE 6 HG22 ILE 6 -0.252 0.202 -12.607 526 HG23 ILE 6 HG23 ILE 6 -1.607 1.193 -12.052 527 HD11 ILE 6 HD11 ILE 6 -2.199 3.089 -10.951 528 HD12 ILE 6 HD12 ILE 6 -1.310 4.350 -11.813 529 HD13 ILE 6 HD13 ILE 6 -1.595 4.495 -10.078 530 H TYR 7 H TYR 7 2.568 -0.768 -11.668 531 HA TYR 7 HA TYR 7 2.246 -0.998 -14.491 532 HB2 TYR 7 HB2 TYR 7 4.646 -1.624 -14.978 533 HB3 TYR 7 HB3 TYR 7 4.337 0.078 -14.723 534 HD1 TYR 7 HD1 TYR 7 5.153 1.198 -12.602 535 HD2 TYR 7 HD2 TYR 7 6.211 -2.840 -13.560 536 HE1 TYR 7 HE1 TYR 7 7.099 1.344 -11.116 537 HE2 TYR 7 HE2 TYR 7 8.149 -2.679 -12.060 538 HH TYR 7 HH TYR 7 9.604 -0.947 -11.125 539 H GLN 8 H GLN 8 3.541 -3.138 -15.136 540 HA GLN 8 HA GLN 8 2.910 -5.199 -13.126 541 HB2 GLN 8 HB2 GLN 8 2.018 -6.703 -14.694 542 HB3 GLN 8 HB3 GLN 8 1.308 -5.161 -15.151 543 HG2 GLN 8 HG2 GLN 8 3.144 -5.000 -16.918 544 HG3 GLN 8 HG3 GLN 8 3.522 -6.672 -16.549 545 HE21 GLN 8 HE21 GLN 8 1.899 -8.264 -16.974 546 HE22 GLN 8 HE22 GLN 8 0.672 -7.995 -18.154 547 H ASP 9 H ASP 9 4.370 -6.940 -13.096 548 HA ASP 9 HA ASP 9 7.073 -6.264 -14.097 549 HB2 ASP 9 HB2 ASP 9 6.267 -7.815 -11.591 550 HB3 ASP 9 HB3 ASP 9 7.925 -7.593 -12.142 551 H LYS 10 H LYS 10 8.408 -8.508 -13.922 552 HA LYS 10 HA LYS 10 8.066 -9.747 -16.290 553 HB2 LYS 10 HB2 LYS 10 9.634 -11.511 -15.481 554 HB3 LYS 10 HB3 LYS 10 10.146 -9.874 -15.074 555 HG2 LYS 10 HG2 LYS 10 9.264 -10.191 -12.764 556 HG3 LYS 10 HG3 LYS 10 8.831 -11.853 -13.174 557 HD2 LYS 10 HD2 LYS 10 10.938 -11.815 -11.948 558 HD3 LYS 10 HD3 LYS 10 11.215 -12.363 -13.602 559 HE2 LYS 10 HE2 LYS 10 12.052 -10.121 -14.209 560 HE3 LYS 10 HE3 LYS 10 11.727 -9.547 -12.573 561 HZ1 LYS 10 HZ1 LYS 10 13.346 -11.122 -11.740 562 HZ2 LYS 10 HZ2 LYS 10 14.044 -10.090 -12.883 563 HZ3 LYS 10 HZ3 LYS 10 13.650 -11.673 -13.314 564 H ALA 11 H ALA 11 6.519 -10.787 -13.321 565 HA ALA 11 HA ALA 11 5.680 -13.387 -14.324 566 HB1 ALA 11 HB1 ALA 11 4.887 -11.928 -11.782 567 HB2 ALA 11 HB2 ALA 11 6.213 -13.079 -11.946 568 HB3 ALA 11 HB3 ALA 11 4.547 -13.623 -12.150 569 H GLY 12 H GLY 12 4.718 -10.605 -15.465 570 HA2 GLY 12 HA2 GLY 12 2.873 -9.519 -16.227 571 HA3 GLY 12 HA3 GLY 12 2.041 -11.058 -16.177 572 H GLU 13 H GLU 13 3.484 -9.546 -13.374 573 HA GLU 13 HA GLU 13 0.852 -9.754 -12.015 574 HB2 GLU 13 HB2 GLU 13 2.770 -11.101 -11.143 575 HB3 GLU 13 HB3 GLU 13 3.681 -9.624 -10.867 576 HG2 GLU 13 HG2 GLU 13 2.763 -10.445 -8.782 577 HG3 GLU 13 HG3 GLU 13 2.027 -8.901 -9.203 578 H TYR 14 H TYR 14 -0.027 -7.947 -10.950 579 HA TYR 14 HA TYR 14 1.090 -5.392 -11.906 580 HB2 TYR 14 HB2 TYR 14 -1.730 -6.195 -11.144 581 HB3 TYR 14 HB3 TYR 14 -1.259 -4.498 -11.196 582 HD1 TYR 14 HD1 TYR 14 -1.841 -7.527 -13.264 583 HD2 TYR 14 HD2 TYR 14 -0.747 -3.384 -13.347 584 HE1 TYR 14 HE1 TYR 14 -2.187 -7.478 -15.696 585 HE2 TYR 14 HE2 TYR 14 -1.106 -3.348 -15.776 586 HH TYR 14 HH TYR 14 -1.105 -4.949 -17.665 587 H ARG 15 H ARG 15 1.808 -3.974 -10.625 588 HA ARG 15 HA ARG 15 1.441 -3.972 -7.724 589 HB2 ARG 15 HB2 ARG 15 4.109 -4.404 -9.099 590 HB3 ARG 15 HB3 ARG 15 4.082 -3.399 -7.659 591 HG2 ARG 15 HG2 ARG 15 4.605 -5.472 -6.776 592 HG3 ARG 15 HG3 ARG 15 2.863 -5.404 -6.532 593 HD2 ARG 15 HD2 ARG 15 3.191 -7.567 -7.343 594 HD3 ARG 15 HD3 ARG 15 2.730 -6.690 -8.796 595 HE ARG 15 HE ARG 15 5.014 -6.690 -9.500 596 HH11 ARG 15 HH11 ARG 15 4.403 -8.734 -6.714 597 HH12 ARG 15 HH12 ARG 15 5.835 -9.681 -6.948 598 HH21 ARG 15 HH21 ARG 15 6.912 -7.920 -9.750 599 HH22 ARG 15 HH22 ARG 15 7.251 -9.216 -8.655 600 H PHE 16 H PHE 16 1.225 -1.936 -6.961 601 HA PHE 16 HA PHE 16 2.375 0.286 -8.536 602 HB2 PHE 16 HB2 PHE 16 0.669 1.786 -7.575 603 HB3 PHE 16 HB3 PHE 16 -0.033 0.519 -8.559 604 HD1 PHE 16 HD1 PHE 16 -1.351 -1.308 -7.497 605 HD2 PHE 16 HD2 PHE 16 0.126 1.983 -5.201 606 HE1 PHE 16 HE1 PHE 16 -2.992 -1.791 -5.737 607 HE2 PHE 16 HE2 PHE 16 -1.522 1.482 -3.446 608 HZ PHE 16 HZ PHE 16 -3.088 -0.394 -3.727 609 H ARG 17 H ARG 17 3.750 1.569 -7.548 610 HA ARG 17 HA ARG 17 4.346 1.152 -4.680 611 HB2 ARG 17 HB2 ARG 17 6.846 1.468 -5.534 612 HB3 ARG 17 HB3 ARG 17 6.068 -0.102 -5.565 613 HG2 ARG 17 HG2 ARG 17 5.484 0.492 -8.041 614 HG3 ARG 17 HG3 ARG 17 6.753 1.708 -7.874 615 HD2 ARG 17 HD2 ARG 17 7.708 -0.323 -8.822 616 HD3 ARG 17 HD3 ARG 17 8.345 -0.096 -7.194 617 HE ARG 17 HE ARG 17 6.439 -1.758 -6.573 618 HH11 ARG 17 HH11 ARG 17 8.423 -1.980 -9.469 619 HH12 ARG 17 HH12 ARG 17 8.201 -3.695 -9.631 620 HH21 ARG 17 HH21 ARG 17 6.222 -4.015 -6.790 621 HH22 ARG 17 HH22 ARG 17 6.980 -4.836 -8.119 622 H PHE 18 H PHE 18 5.615 2.897 -3.742 623 HA PHE 18 HA PHE 18 4.941 5.545 -4.940 624 HB2 PHE 18 HB2 PHE 18 3.520 5.088 -2.948 625 HB3 PHE 18 HB3 PHE 18 4.962 4.810 -1.986 626 HD1 PHE 18 HD1 PHE 18 4.273 7.573 -4.436 627 HD2 PHE 18 HD2 PHE 18 4.811 6.467 -0.343 628 HE1 PHE 18 HE1 PHE 18 4.175 9.936 -3.771 629 HE2 PHE 18 HE2 PHE 18 4.699 8.827 0.319 630 HZ PHE 18 HZ PHE 18 4.410 10.558 -1.402 631 H LYS 19 H LYS 19 6.537 6.952 -5.051 632 HA LYS 19 HA LYS 19 9.255 5.939 -4.561 633 HB2 LYS 19 HB2 LYS 19 8.216 8.049 -6.527 634 HB3 LYS 19 HB3 LYS 19 9.895 7.520 -6.391 635 HG2 LYS 19 HG2 LYS 19 7.543 5.765 -7.207 636 HG3 LYS 19 HG3 LYS 19 8.776 6.420 -8.294 637 HD2 LYS 19 HD2 LYS 19 9.358 4.529 -5.967 638 HD3 LYS 19 HD3 LYS 19 9.177 4.000 -7.636 639 HE2 LYS 19 HE2 LYS 19 11.250 6.061 -6.810 640 HE3 LYS 19 HE3 LYS 19 11.569 4.332 -6.783 641 HZ1 LYS 19 HZ1 LYS 19 10.695 5.833 -9.174 642 HZ2 LYS 19 HZ2 LYS 19 11.162 4.211 -9.113 643 HZ3 LYS 19 HZ3 LYS 19 12.298 5.427 -8.827 644 H ALA 20 H ALA 20 10.814 7.952 -4.577 645 HA ALA 20 HA ALA 20 9.996 9.950 -2.562 646 HB1 ALA 20 HB1 ALA 20 11.187 8.131 -1.391 647 HB2 ALA 20 HB2 ALA 20 12.140 9.614 -1.383 648 HB3 ALA 20 HB3 ALA 20 12.554 8.302 -2.491 649 H SER 21 H SER 21 11.326 11.857 -2.607 650 HA SER 21 HA SER 21 11.715 13.143 -4.894 651 HB2 SER 21 HB2 SER 21 13.402 13.518 -2.399 652 HB3 SER 21 HB3 SER 21 13.175 14.732 -3.667 653 HG SER 21 HG SER 21 11.094 14.965 -3.079 654 H ASN 22 H ASN 22 14.264 11.011 -3.538 655 HA ASN 22 HA ASN 22 16.082 11.772 -5.761 656 HB2 ASN 22 HB2 ASN 22 17.933 11.109 -4.450 657 HB3 ASN 22 HB3 ASN 22 16.873 11.952 -3.336 658 HD21 ASN 22 HD21 ASN 22 18.336 8.930 -4.166 659 HD22 ASN 22 HD22 ASN 22 17.843 8.064 -2.761 660 H GLY 23 H GLY 23 13.735 9.744 -5.652 661 HA2 GLY 23 HA2 GLY 23 13.254 8.132 -7.255 662 HA3 GLY 23 HA3 GLY 23 14.962 7.894 -7.535 663 H GLU 24 H GLU 24 14.190 7.751 -4.235 664 HA GLU 24 HA GLU 24 14.607 4.889 -4.053 665 HB2 GLU 24 HB2 GLU 24 13.754 6.882 -1.908 666 HB3 GLU 24 HB3 GLU 24 14.222 5.214 -1.601 667 HG2 GLU 24 HG2 GLU 24 16.016 7.391 -2.705 668 HG3 GLU 24 HG3 GLU 24 16.002 6.793 -1.049 669 H THR 25 H THR 25 13.074 3.360 -3.092 670 HA THR 25 HA THR 25 10.201 4.122 -3.328 671 HB THR 25 HB THR 25 11.346 1.328 -3.797 672 HG1 THR 25 HG1 THR 25 11.925 2.960 -5.390 673 HG21 THR 25 HG21 THR 25 8.584 2.453 -4.384 674 HG22 THR 25 HG22 THR 25 8.971 1.311 -3.093 675 HG23 THR 25 HG23 THR 25 9.137 0.825 -4.782 676 H MET 26 H MET 26 8.887 3.505 -1.682 677 HA MET 26 HA MET 26 10.179 2.495 0.783 678 HB2 MET 26 HB2 MET 26 8.406 4.014 1.931 679 HB3 MET 26 HB3 MET 26 9.830 4.758 1.222 680 HG2 MET 26 HG2 MET 26 7.851 6.064 0.729 681 HG3 MET 26 HG3 MET 26 8.517 5.394 -0.763 682 HE1 MET 26 HE1 MET 26 6.320 3.585 1.998 683 HE2 MET 26 HE2 MET 26 4.715 3.916 1.346 684 HE3 MET 26 HE3 MET 26 5.733 5.245 1.903 685 H PHE 27 H PHE 27 7.279 2.265 -1.281 686 HA PHE 27 HA PHE 27 6.964 -0.374 -0.075 687 HB2 PHE 27 HB2 PHE 27 4.729 -0.316 0.543 688 HB3 PHE 27 HB3 PHE 27 5.239 1.287 1.015 689 HD1 PHE 27 HD1 PHE 27 4.372 3.244 -0.230 690 HD2 PHE 27 HD2 PHE 27 3.035 -0.659 -1.216 691 HE1 PHE 27 HE1 PHE 27 2.480 4.236 -1.348 692 HE2 PHE 27 HE2 PHE 27 1.108 0.319 -2.397 693 HZ PHE 27 HZ PHE 27 0.807 2.774 -2.465 694 H SER 28 H SER 28 5.990 -1.853 -1.273 695 HA SER 28 HA SER 28 5.041 -1.231 -3.996 696 HB2 SER 28 HB2 SER 28 7.203 -2.441 -4.188 697 HB3 SER 28 HB3 SER 28 6.618 -3.705 -3.104 698 HG SER 28 HG SER 28 5.471 -4.537 -4.676 699 H SER 29 H SER 29 2.995 -2.160 -4.365 700 HA SER 29 HA SER 29 1.660 -3.249 -1.973 701 HB2 SER 29 HB2 SER 29 0.682 -1.247 -3.099 702 HB3 SER 29 HB3 SER 29 0.491 -2.180 -4.583 703 HG SER 29 HG SER 29 -0.768 -2.633 -2.078 704 H GLU 30 H GLU 30 -0.271 -4.808 -2.813 705 HA GLU 30 HA GLU 30 0.950 -7.003 -4.309 706 HB2 GLU 30 HB2 GLU 30 -1.854 -6.930 -3.129 707 HB3 GLU 30 HB3 GLU 30 -0.893 -8.344 -3.557 708 HG2 GLU 30 HG2 GLU 30 0.773 -7.398 -1.724 709 HG3 GLU 30 HG3 GLU 30 -0.639 -6.523 -1.167 710 H GLY 31 H GLY 31 -0.659 -4.199 -5.084 711 HA2 GLY 31 HA2 GLY 31 -1.155 -3.461 -7.238 712 HA3 GLY 31 HA3 GLY 31 -1.344 -5.119 -7.779 713 H TYR 32 H TYR 32 -3.054 -5.538 -5.316 714 HA TYR 32 HA TYR 32 -5.085 -5.249 -4.375 715 HB2 TYR 32 HB2 TYR 32 -4.891 -2.789 -4.855 716 HB3 TYR 32 HB3 TYR 32 -5.641 -3.060 -6.421 717 HD1 TYR 32 HD1 TYR 32 -6.595 -4.441 -3.048 718 HD2 TYR 32 HD2 TYR 32 -7.704 -1.881 -6.284 719 HE1 TYR 32 HE1 TYR 32 -8.780 -4.049 -1.996 720 HE2 TYR 32 HE2 TYR 32 -9.882 -1.491 -5.225 721 HH TYR 32 HH TYR 32 -10.540 -2.246 -2.036 722 H LYS 33 H LYS 33 -5.241 -4.990 -7.937 723 HA LYS 33 HA LYS 33 -6.277 -7.651 -8.188 724 HB2 LYS 33 HB2 LYS 33 -8.402 -6.439 -7.706 725 HB3 LYS 33 HB3 LYS 33 -8.085 -5.328 -9.030 726 HG2 LYS 33 HG2 LYS 33 -9.731 -6.933 -9.759 727 HG3 LYS 33 HG3 LYS 33 -8.229 -7.253 -10.631 728 HD2 LYS 33 HD2 LYS 33 -7.740 -9.075 -8.929 729 HD3 LYS 33 HD3 LYS 33 -9.353 -8.807 -8.270 730 HE2 LYS 33 HE2 LYS 33 -8.703 -9.717 -11.091 731 HE3 LYS 33 HE3 LYS 33 -9.338 -10.725 -9.794 732 HZ1 LYS 33 HZ1 LYS 33 -11.364 -9.466 -9.816 733 HZ2 LYS 33 HZ2 LYS 33 -11.033 -10.018 -11.378 734 HZ3 LYS 33 HZ3 LYS 33 -10.751 -8.402 -10.980 735 H ALA 34 H ALA 34 -5.996 -4.516 -9.851 736 HA ALA 34 HA ALA 34 -4.154 -5.462 -11.852 737 HB1 ALA 34 HB1 ALA 34 -5.602 -5.079 -13.815 738 HB2 ALA 34 HB2 ALA 34 -6.970 -4.732 -12.757 739 HB3 ALA 34 HB3 ALA 34 -6.276 -6.353 -12.795 740 H LYS 35 H LYS 35 -4.489 -3.300 -13.760 741 HA LYS 35 HA LYS 35 -3.235 -1.314 -12.125 742 HB2 LYS 35 HB2 LYS 35 -2.884 -0.063 -14.287 743 HB3 LYS 35 HB3 LYS 35 -2.169 -1.655 -14.190 744 HG2 LYS 35 HG2 LYS 35 -2.969 -1.534 -16.391 745 HG3 LYS 35 HG3 LYS 35 -4.180 -2.498 -15.554 746 HD2 LYS 35 HD2 LYS 35 -5.194 -0.856 -17.123 747 HD3 LYS 35 HD3 LYS 35 -5.706 -0.579 -15.458 748 HE2 LYS 35 HE2 LYS 35 -5.184 1.535 -16.648 749 HE3 LYS 35 HE3 LYS 35 -4.141 1.285 -15.248 750 HZ1 LYS 35 HZ1 LYS 35 -3.383 0.660 -18.041 751 HZ2 LYS 35 HZ2 LYS 35 -2.384 0.567 -16.679 752 HZ3 LYS 35 HZ3 LYS 35 -2.946 2.065 -17.210 753 H ALA 36 H ALA 36 -6.349 -1.445 -13.894 754 HA ALA 36 HA ALA 36 -7.209 1.167 -13.387 755 HB1 ALA 36 HB1 ALA 36 -8.376 -0.303 -14.959 756 HB2 ALA 36 HB2 ALA 36 -9.508 0.322 -13.758 757 HB3 ALA 36 HB3 ALA 36 -8.911 -1.337 -13.633 758 H SER 37 H SER 37 -7.615 -1.755 -11.426 759 HA SER 37 HA SER 37 -8.921 -0.551 -9.207 760 HB2 SER 37 HB2 SER 37 -7.227 -3.079 -9.329 761 HB3 SER 37 HB3 SER 37 -8.319 -2.638 -8.011 762 HG SER 37 HG SER 37 -9.959 -2.523 -9.800 763 H ALA 38 H ALA 38 -5.602 -0.702 -10.227 764 HA ALA 38 HA ALA 38 -4.379 -0.152 -7.706 765 HB1 ALA 38 HB1 ALA 38 -3.140 -1.258 -9.502 766 HB2 ALA 38 HB2 ALA 38 -2.331 0.224 -8.988 767 HB3 ALA 38 HB3 ALA 38 -3.253 0.198 -10.494 768 H ILE 39 H ILE 39 -5.088 1.960 -10.614 769 HA ILE 39 HA ILE 39 -4.418 4.415 -9.567 770 HB ILE 39 HB ILE 39 -6.574 3.615 -11.563 771 HG12 ILE 39 HG12 ILE 39 -5.103 5.234 -13.049 772 HG13 ILE 39 HG13 ILE 39 -3.904 5.067 -11.778 773 HG21 ILE 39 HG21 ILE 39 -6.093 6.470 -10.642 774 HG22 ILE 39 HG22 ILE 39 -7.574 5.532 -10.439 775 HG23 ILE 39 HG23 ILE 39 -7.051 6.009 -12.053 776 HD11 ILE 39 HD11 ILE 39 -3.821 2.661 -12.207 777 HD12 ILE 39 HD12 ILE 39 -3.450 3.618 -13.642 778 HD13 ILE 39 HD13 ILE 39 -5.033 2.856 -13.478 779 H HIS 40 H HIS 40 -7.585 2.733 -9.290 780 HA HIS 40 HA HIS 40 -8.912 4.753 -7.826 781 HB2 HIS 40 HB2 HIS 40 -9.513 1.807 -8.229 782 HB3 HIS 40 HB3 HIS 40 -10.528 2.805 -7.187 783 HD1 HIS 40 HD1 HIS 40 -12.494 3.699 -8.379 784 HD2 HIS 40 HD2 HIS 40 -9.262 3.243 -10.937 785 HE1 HIS 40 HE1 HIS 40 -13.305 4.454 -10.620 786 HE2 HIS 40 HE2 HIS 40 -11.276 4.355 -12.099 787 H ALA 41 H ALA 41 -6.990 1.979 -6.750 788 HA ALA 41 HA ALA 41 -7.447 2.189 -3.986 789 HB1 ALA 41 HB1 ALA 41 -5.342 0.933 -3.751 790 HB2 ALA 41 HB2 ALA 41 -4.944 1.249 -5.445 791 HB3 ALA 41 HB3 ALA 41 -6.337 0.243 -5.040 792 H ILE 42 H ILE 42 -4.871 3.532 -6.058 793 HA ILE 42 HA ILE 42 -3.611 5.118 -4.122 794 HB ILE 42 HB ILE 42 -3.695 5.306 -7.146 795 HG12 ILE 42 HG12 ILE 42 -1.462 4.359 -5.289 796 HG13 ILE 42 HG13 ILE 42 -2.656 3.278 -6.002 797 HG21 ILE 42 HG21 ILE 42 -1.869 6.873 -5.284 798 HG22 ILE 42 HG22 ILE 42 -3.129 7.545 -6.316 799 HG23 ILE 42 HG23 ILE 42 -1.715 6.790 -7.045 800 HD11 ILE 42 HD11 ILE 42 -0.517 3.296 -7.168 801 HD12 ILE 42 HD12 ILE 42 -0.760 4.995 -7.576 802 HD13 ILE 42 HD13 ILE 42 -1.874 3.765 -8.190 803 H GLU 43 H GLU 43 -6.601 5.645 -5.809 804 HA GLU 43 HA GLU 43 -6.646 8.504 -5.583 805 HB2 GLU 43 HB2 GLU 43 -8.872 6.518 -6.124 806 HB3 GLU 43 HB3 GLU 43 -9.165 8.251 -5.995 807 HG2 GLU 43 HG2 GLU 43 -7.653 8.652 -7.914 808 HG3 GLU 43 HG3 GLU 43 -7.360 6.918 -8.050 809 H SER 44 H SER 44 -7.632 5.809 -3.490 810 HA SER 44 HA SER 44 -8.755 7.202 -1.330 811 HB2 SER 44 HB2 SER 44 -6.888 4.815 -1.439 812 HB3 SER 44 HB3 SER 44 -7.485 5.418 0.104 813 HG SER 44 HG SER 44 -9.534 4.858 -0.484 814 H ILE 45 H ILE 45 -5.358 6.922 -2.314 815 HA ILE 45 HA ILE 45 -4.293 7.885 0.152 816 HB ILE 45 HB ILE 45 -2.678 8.059 -2.446 817 HG12 ILE 45 HG12 ILE 45 -3.793 5.739 -2.298 818 HG13 ILE 45 HG13 ILE 45 -2.037 5.738 -2.356 819 HG21 ILE 45 HG21 ILE 45 -1.706 8.955 -0.388 820 HG22 ILE 45 HG22 ILE 45 -0.824 7.505 -0.877 821 HG23 ILE 45 HG23 ILE 45 -2.003 7.423 0.454 822 HD11 ILE 45 HD11 ILE 45 -3.726 5.364 0.104 823 HD12 ILE 45 HD12 ILE 45 -1.961 5.326 0.046 824 HD13 ILE 45 HD13 ILE 45 -2.900 4.103 -0.805 825 H LYS 46 H LYS 46 -5.086 9.313 -2.992 826 HA LYS 46 HA LYS 46 -3.917 11.829 -2.666 827 HB2 LYS 46 HB2 LYS 46 -6.373 11.371 -4.389 828 HB3 LYS 46 HB3 LYS 46 -5.035 12.476 -4.664 829 HG2 LYS 46 HG2 LYS 46 -5.148 9.492 -5.119 830 HG3 LYS 46 HG3 LYS 46 -4.768 10.769 -6.271 831 HD2 LYS 46 HD2 LYS 46 -2.994 9.924 -3.944 832 HD3 LYS 46 HD3 LYS 46 -2.787 9.391 -5.608 833 HE2 LYS 46 HE2 LYS 46 -2.686 12.297 -4.796 834 HE3 LYS 46 HE3 LYS 46 -1.281 11.261 -4.832 835 HZ1 LYS 46 HZ1 LYS 46 -1.660 12.597 -6.870 836 HZ2 LYS 46 HZ2 LYS 46 -3.052 11.691 -7.161 837 HZ3 LYS 46 HZ3 LYS 46 -1.540 10.937 -7.150 838 H ARG 47 H ARG 47 -6.707 10.555 -1.272 839 HA ARG 47 HA ARG 47 -8.369 12.875 -1.084 840 HB2 ARG 47 HB2 ARG 47 -8.418 10.388 0.671 841 HB3 ARG 47 HB3 ARG 47 -9.694 11.593 0.571 842 HG2 ARG 47 HG2 ARG 47 -8.796 9.817 -1.703 843 HG3 ARG 47 HG3 ARG 47 -10.190 9.511 -0.677 844 HD2 ARG 47 HD2 ARG 47 -11.267 11.558 -1.491 845 HD3 ARG 47 HD3 ARG 47 -9.847 11.932 -2.479 846 HE ARG 47 HE ARG 47 -11.605 9.575 -2.878 847 HH11 ARG 47 HH11 ARG 47 -9.568 12.081 -4.223 848 HH12 ARG 47 HH12 ARG 47 -9.792 11.553 -5.857 849 HH21 ARG 47 HH21 ARG 47 -11.858 8.856 -5.017 850 HH22 ARG 47 HH22 ARG 47 -11.091 9.723 -6.314 851 H ASN 48 H ASN 48 -6.717 11.158 1.606 852 HA ASN 48 HA ASN 48 -5.995 13.618 2.979 853 HB2 ASN 48 HB2 ASN 48 -8.259 11.854 4.024 854 HB3 ASN 48 HB3 ASN 48 -7.342 12.911 5.085 855 HD21 ASN 48 HD21 ASN 48 -7.596 15.169 4.883 856 HD22 ASN 48 HD22 ASN 48 -8.957 15.858 4.077 857 H SER 49 H SER 49 -4.859 10.914 2.018 858 HA SER 49 HA SER 49 -4.305 9.284 4.283 859 HB2 SER 49 HB2 SER 49 -4.252 8.461 1.957 860 HB3 SER 49 HB3 SER 49 -2.809 9.424 1.654 861 HG SER 49 HG SER 49 -3.060 7.002 2.826 862 H ALA 50 H ALA 50 -2.510 11.954 2.784 863 HA ALA 50 HA ALA 50 -0.169 11.804 4.323 864 HB1 ALA 50 HB1 ALA 50 -0.402 13.203 2.306 865 HB2 ALA 50 HB2 ALA 50 0.205 14.133 3.679 866 HB3 ALA 50 HB3 ALA 50 -1.484 14.289 3.183 867 H GLY 51 H GLY 51 -3.369 12.967 5.138 868 HA2 GLY 51 HA2 GLY 51 -2.459 13.850 7.819 869 HA3 GLY 51 HA3 GLY 51 -3.971 14.301 7.051 870 H ALA 52 H ALA 52 -3.637 11.063 6.408 871 HA ALA 52 HA ALA 52 -5.494 10.049 8.228 872 HB1 ALA 52 HB1 ALA 52 -4.760 7.813 7.463 873 HB2 ALA 52 HB2 ALA 52 -3.311 8.530 6.743 874 HB3 ALA 52 HB3 ALA 52 -4.907 8.932 6.104 875 H ASP 53 H ASP 53 -4.951 8.085 9.715 876 HA ASP 53 HA ASP 53 -2.754 8.823 11.548 877 HB2 ASP 53 HB2 ASP 53 -5.068 8.674 12.496 878 HB3 ASP 53 HB3 ASP 53 -5.136 6.979 12.031 879 H THR 54 H THR 54 -1.311 7.189 12.311 880 HA THR 54 HA THR 54 -1.114 4.751 10.621 881 HB THR 54 HB THR 54 1.161 6.181 12.069 882 HG1 THR 54 HG1 THR 54 0.053 6.507 9.504 883 HG21 THR 54 HG21 THR 54 2.634 4.795 10.646 884 HG22 THR 54 HG22 THR 54 1.225 4.011 9.933 885 HG23 THR 54 HG23 THR 54 1.596 3.773 11.641 886 H VAL 55 H VAL 55 -1.924 3.100 11.747 887 HA VAL 55 HA VAL 55 -1.520 2.834 14.669 888 HB VAL 55 HB VAL 55 -3.569 1.405 12.902 889 HG11 VAL 55 HG11 VAL 55 -3.066 0.167 14.953 890 HG12 VAL 55 HG12 VAL 55 -4.702 0.820 15.025 891 HG13 VAL 55 HG13 VAL 55 -3.402 1.598 15.932 892 HG21 VAL 55 HG21 VAL 55 -4.043 3.806 12.888 893 HG22 VAL 55 HG22 VAL 55 -4.018 3.845 14.652 894 HG23 VAL 55 HG23 VAL 55 -5.272 2.936 13.806 895 H ASP 56 H ASP 56 -0.135 1.261 15.306 896 HA ASP 56 HA ASP 56 0.483 -1.023 13.520 897 HB2 ASP 56 HB2 ASP 56 2.435 0.336 14.254 898 HB3 ASP 56 HB3 ASP 56 2.045 -0.006 15.938 899 H LEU 57 H LEU 57 -0.804 -2.648 13.944 900 HA LEU 57 HA LEU 57 -2.005 -3.222 16.501 901 HB2 LEU 57 HB2 LEU 57 -2.142 -4.745 13.863 902 HB3 LEU 57 HB3 LEU 57 -3.095 -5.123 15.284 903 HG LEU 57 HG LEU 57 -4.546 -3.982 13.777 904 HD11 LEU 57 HD11 LEU 57 -4.836 -3.304 16.102 905 HD12 LEU 57 HD12 LEU 57 -5.254 -1.998 14.997 906 HD13 LEU 57 HD13 LEU 57 -3.719 -1.954 15.868 907 HD21 LEU 57 HD21 LEU 57 -4.115 -1.800 12.780 908 HD22 LEU 57 HD22 LEU 57 -2.890 -2.971 12.297 909 HD23 LEU 57 HD23 LEU 57 -2.511 -1.755 13.521 910 H THR 58 H THR 58 0.989 -4.237 15.002 911 HA THR 58 HA THR 58 0.802 -6.984 16.052 912 HB THR 58 HB THR 58 1.607 -6.731 13.754 913 HG1 THR 58 HG1 THR 58 3.596 -7.699 15.548 914 HG21 THR 58 HG21 THR 58 3.999 -5.259 14.896 915 HG22 THR 58 HG22 THR 58 2.718 -4.541 13.913 916 HG23 THR 58 HG23 THR 58 3.782 -5.763 13.213 917 H THR 59 H THR 59 1.456 -4.192 17.498 918 HA THR 59 HA THR 59 3.739 -5.026 19.107 919 HB THR 59 HB THR 59 2.858 -2.909 20.489 920 HG1 THR 59 HG1 THR 59 1.871 -2.173 17.931 921 HG21 THR 59 HG21 THR 59 4.171 -2.582 17.764 922 HG22 THR 59 HG22 THR 59 5.005 -2.921 19.281 923 HG23 THR 59 HG23 THR 59 4.176 -1.382 19.059 924 H MET 60 H MET 60 0.201 -4.837 19.225 925 HA MET 60 HA MET 60 0.048 -6.447 21.670 926 HB2 MET 60 HB2 MET 60 -1.692 -4.709 21.221 927 HB3 MET 60 HB3 MET 60 -2.131 -5.525 19.729 928 HG2 MET 60 HG2 MET 60 -2.722 -7.551 21.188 929 HG3 MET 60 HG3 MET 60 -2.576 -6.461 22.568 930 HE1 MET 60 HE1 MET 60 -5.722 -6.008 19.197 931 HE2 MET 60 HE2 MET 60 -4.558 -7.328 19.287 932 HE3 MET 60 HE3 MET 60 -4.010 -5.691 18.919 933 H THR 61 H THR 61 1.020 -8.405 21.152 934 HA THR 61 HA THR 61 0.749 -9.757 18.674 935 HB THR 61 HB THR 61 1.765 -11.724 19.901 936 HG1 THR 61 HG1 THR 61 2.368 -11.434 22.063 937 HG21 THR 61 HG21 THR 61 3.187 -9.056 20.298 938 HG22 THR 61 HG22 THR 61 3.217 -10.028 18.823 939 HG23 THR 61 HG23 THR 61 3.955 -10.646 20.301 940 H ALA 62 H ALA 62 -1.051 -10.600 17.940 941 HA ALA 62 HA ALA 62 -3.223 -11.425 19.781 942 HB1 ALA 62 HB1 ALA 62 -4.768 -10.660 18.032 943 HB2 ALA 62 HB2 ALA 62 -3.410 -10.252 16.979 944 HB3 ALA 62 HB3 ALA 62 -3.660 -9.368 18.486 Start of MODEL 6 1 H MET 1 H MET 1 -13.095 6.685 10.475 2 HA MET 1 HA MET 1 -12.135 8.226 8.934 3 HB2 MET 1 HB2 MET 1 -11.107 9.678 10.761 4 HB3 MET 1 HB3 MET 1 -9.840 8.474 10.935 5 HG2 MET 1 HG2 MET 1 -9.123 8.890 8.633 6 HG3 MET 1 HG3 MET 1 -10.406 10.090 8.447 7 HE1 MET 1 HE1 MET 1 -7.274 12.402 8.597 8 HE2 MET 1 HE2 MET 1 -8.772 12.036 7.742 9 HE3 MET 1 HE3 MET 1 -7.454 10.862 7.759 10 H TYR 2 H TYR 2 -10.678 7.415 7.375 11 HA TYR 2 HA TYR 2 -9.718 4.737 7.690 12 HB2 TYR 2 HB2 TYR 2 -8.582 5.248 5.406 13 HB3 TYR 2 HB3 TYR 2 -10.330 5.129 5.506 14 HD1 TYR 2 HD1 TYR 2 -7.536 7.638 5.348 15 HD2 TYR 2 HD2 TYR 2 -11.702 6.901 4.784 16 HE1 TYR 2 HE1 TYR 2 -7.780 9.822 4.227 17 HE2 TYR 2 HE2 TYR 2 -11.950 9.069 3.674 18 HH TYR 2 HH TYR 2 -9.342 10.841 2.552 19 H LYS 3 H LYS 3 -7.474 4.097 7.295 20 HA LYS 3 HA LYS 3 -5.354 5.720 8.226 21 HB2 LYS 3 HB2 LYS 3 -5.125 4.521 10.508 22 HB3 LYS 3 HB3 LYS 3 -6.325 5.788 10.374 23 HG2 LYS 3 HG2 LYS 3 -7.219 4.009 11.709 24 HG3 LYS 3 HG3 LYS 3 -8.112 4.065 10.189 25 HD2 LYS 3 HD2 LYS 3 -7.098 2.076 9.387 26 HD3 LYS 3 HD3 LYS 3 -5.792 2.158 10.576 27 HE2 LYS 3 HE2 LYS 3 -7.340 0.386 11.209 28 HE3 LYS 3 HE3 LYS 3 -7.448 1.694 12.385 29 HZ1 LYS 3 HZ1 LYS 3 -9.428 2.467 11.225 30 HZ2 LYS 3 HZ2 LYS 3 -9.610 0.893 11.805 31 HZ3 LYS 3 HZ3 LYS 3 -9.327 1.163 10.163 32 H PHE 4 H PHE 4 -3.543 4.227 9.145 33 HA PHE 4 HA PHE 4 -3.132 2.069 7.180 34 HB2 PHE 4 HB2 PHE 4 -1.118 3.624 8.869 35 HB3 PHE 4 HB3 PHE 4 -0.713 2.371 7.696 36 HD1 PHE 4 HD1 PHE 4 -0.920 2.785 5.288 37 HD2 PHE 4 HD2 PHE 4 -1.835 5.857 8.121 38 HE1 PHE 4 HE1 PHE 4 -0.856 4.468 3.499 39 HE2 PHE 4 HE2 PHE 4 -1.779 7.528 6.319 40 HZ PHE 4 HZ PHE 4 -1.285 6.829 4.019 41 H GLU 5 H GLU 5 -3.469 0.108 7.916 42 HA GLU 5 HA GLU 5 -3.278 -0.530 10.773 43 HB2 GLU 5 HB2 GLU 5 -4.422 -2.108 8.431 44 HB3 GLU 5 HB3 GLU 5 -4.308 -2.741 10.072 45 HG2 GLU 5 HG2 GLU 5 -5.682 -0.753 10.820 46 HG3 GLU 5 HG3 GLU 5 -5.949 -0.386 9.113 47 H ILE 6 H ILE 6 -1.370 -1.234 11.516 48 HA ILE 6 HA ILE 6 0.575 -2.506 9.703 49 HB ILE 6 HB ILE 6 1.027 -1.344 12.498 50 HG12 ILE 6 HG12 ILE 6 1.837 -0.042 9.856 51 HG13 ILE 6 HG13 ILE 6 0.372 0.388 10.733 52 HG21 ILE 6 HG21 ILE 6 3.440 -1.551 11.982 53 HG22 ILE 6 HG22 ILE 6 3.059 -2.232 10.399 54 HG23 ILE 6 HG23 ILE 6 2.641 -3.125 11.865 55 HD11 ILE 6 HD11 ILE 6 1.719 1.113 12.633 56 HD12 ILE 6 HD12 ILE 6 2.166 1.954 11.150 57 HD13 ILE 6 HD13 ILE 6 3.186 0.658 11.762 58 H TYR 7 H TYR 7 0.335 -4.618 9.834 59 HA TYR 7 HA TYR 7 0.166 -5.943 12.445 60 HB2 TYR 7 HB2 TYR 7 -1.402 -7.625 11.492 61 HB3 TYR 7 HB3 TYR 7 -2.108 -6.017 11.544 62 HD1 TYR 7 HD1 TYR 7 -2.266 -4.661 9.392 63 HD2 TYR 7 HD2 TYR 7 -1.198 -8.804 9.381 64 HE1 TYR 7 HE1 TYR 7 -2.810 -4.793 7.005 65 HE2 TYR 7 HE2 TYR 7 -1.753 -8.931 6.980 66 HH TYR 7 HH TYR 7 -2.134 -6.246 5.026 67 H GLN 8 H GLN 8 0.681 -8.372 12.050 68 HA GLN 8 HA GLN 8 2.405 -8.759 9.677 69 HB2 GLN 8 HB2 GLN 8 3.998 -9.995 10.817 70 HB3 GLN 8 HB3 GLN 8 3.571 -8.804 12.035 71 HG2 GLN 8 HG2 GLN 8 1.979 -10.621 12.955 72 HG3 GLN 8 HG3 GLN 8 2.867 -11.731 11.926 73 HE21 GLN 8 HE21 GLN 8 5.104 -12.082 12.344 74 HE22 GLN 8 HE22 GLN 8 5.796 -11.749 13.889 75 H ASP 9 H ASP 9 2.130 -10.650 8.599 76 HA ASP 9 HA ASP 9 -0.505 -11.776 8.652 77 HB2 ASP 9 HB2 ASP 9 0.605 -11.114 6.520 78 HB3 ASP 9 HB3 ASP 9 1.899 -12.266 6.818 79 H LYS 10 H LYS 10 -0.831 -14.118 8.642 80 HA LYS 10 HA LYS 10 0.074 -15.539 10.782 81 HB2 LYS 10 HB2 LYS 10 -0.876 -17.577 9.634 82 HB3 LYS 10 HB3 LYS 10 -1.939 -16.188 9.685 83 HG2 LYS 10 HG2 LYS 10 -2.314 -16.913 7.526 84 HG3 LYS 10 HG3 LYS 10 -1.044 -15.727 7.252 85 HD2 LYS 10 HD2 LYS 10 -0.611 -17.727 5.919 86 HD3 LYS 10 HD3 LYS 10 0.635 -17.565 7.158 87 HE2 LYS 10 HE2 LYS 10 -0.488 -19.264 8.541 88 HE3 LYS 10 HE3 LYS 10 -1.783 -19.402 7.349 89 HZ1 LYS 10 HZ1 LYS 10 -0.165 -21.180 7.151 90 HZ2 LYS 10 HZ2 LYS 10 1.074 -20.063 6.884 91 HZ3 LYS 10 HZ3 LYS 10 -0.174 -20.226 5.755 92 H ALA 11 H ALA 11 1.581 -15.349 7.676 93 HA ALA 11 HA ALA 11 3.530 -17.485 8.016 94 HB1 ALA 11 HB1 ALA 11 2.709 -16.861 5.788 95 HB2 ALA 11 HB2 ALA 11 4.458 -16.638 5.876 96 HB3 ALA 11 HB3 ALA 11 3.379 -15.239 5.974 97 H GLY 12 H GLY 12 3.326 -14.857 9.797 98 HA2 GLY 12 HA2 GLY 12 4.700 -13.585 11.097 99 HA3 GLY 12 HA3 GLY 12 6.037 -14.583 10.562 100 H GLU 13 H GLU 13 3.968 -12.779 8.362 101 HA GLU 13 HA GLU 13 6.370 -11.281 7.406 102 HB2 GLU 13 HB2 GLU 13 3.789 -11.897 5.891 103 HB3 GLU 13 HB3 GLU 13 5.229 -11.133 5.225 104 HG2 GLU 13 HG2 GLU 13 6.488 -13.221 5.533 105 HG3 GLU 13 HG3 GLU 13 5.062 -13.982 6.241 106 H TYR 14 H TYR 14 6.249 -9.346 8.595 107 HA TYR 14 HA TYR 14 4.011 -7.863 9.190 108 HB2 TYR 14 HB2 TYR 14 6.868 -6.968 8.703 109 HB3 TYR 14 HB3 TYR 14 5.610 -5.813 9.151 110 HD1 TYR 14 HD1 TYR 14 7.499 -8.814 10.339 111 HD2 TYR 14 HD2 TYR 14 4.699 -5.756 11.392 112 HE1 TYR 14 HE1 TYR 14 7.674 -9.455 12.716 113 HE2 TYR 14 HE2 TYR 14 4.903 -6.386 13.754 114 HH TYR 14 HH TYR 14 5.500 -8.414 15.072 115 H ARG 15 H ARG 15 2.708 -6.598 8.248 116 HA ARG 15 HA ARG 15 2.922 -5.714 5.447 117 HB2 ARG 15 HB2 ARG 15 0.440 -7.128 6.550 118 HB3 ARG 15 HB3 ARG 15 0.636 -6.500 4.918 119 HG2 ARG 15 HG2 ARG 15 2.105 -8.868 6.129 120 HG3 ARG 15 HG3 ARG 15 0.792 -8.939 4.951 121 HD2 ARG 15 HD2 ARG 15 2.201 -7.771 3.311 122 HD3 ARG 15 HD3 ARG 15 3.511 -7.673 4.480 123 HE ARG 15 HE ARG 15 3.344 -10.245 4.426 124 HH11 ARG 15 HH11 ARG 15 2.681 -8.233 1.628 125 HH12 ARG 15 HH12 ARG 15 3.383 -9.358 0.504 126 HH21 ARG 15 HH21 ARG 15 4.262 -11.711 2.934 127 HH22 ARG 15 HH22 ARG 15 4.267 -11.324 1.242 128 H PHE 16 H PHE 16 2.088 -3.658 5.198 129 HA PHE 16 HA PHE 16 0.159 -2.677 7.216 130 HB2 PHE 16 HB2 PHE 16 1.040 -0.382 6.894 131 HB3 PHE 16 HB3 PHE 16 2.229 -1.472 7.581 132 HD1 PHE 16 HD1 PHE 16 4.202 -2.188 6.238 133 HD2 PHE 16 HD2 PHE 16 1.416 0.680 4.719 134 HE1 PHE 16 HE1 PHE 16 5.857 -1.456 4.570 135 HE2 PHE 16 HE2 PHE 16 3.080 1.402 3.056 136 HZ PHE 16 HZ PHE 16 5.301 0.341 2.989 137 H ARG 17 H ARG 17 -1.697 -1.944 6.454 138 HA ARG 17 HA ARG 17 -2.065 -1.689 3.521 139 HB2 ARG 17 HB2 ARG 17 -4.399 -2.409 3.874 140 HB3 ARG 17 HB3 ARG 17 -3.260 -3.640 4.396 141 HG2 ARG 17 HG2 ARG 17 -3.661 -3.048 6.738 142 HG3 ARG 17 HG3 ARG 17 -4.770 -1.763 6.238 143 HD2 ARG 17 HD2 ARG 17 -5.950 -3.846 6.939 144 HD3 ARG 17 HD3 ARG 17 -6.299 -3.386 5.269 145 HE ARG 17 HE ARG 17 -4.165 -5.341 5.692 146 HH11 ARG 17 HH11 ARG 17 -7.511 -4.823 4.799 147 HH12 ARG 17 HH12 ARG 17 -7.670 -6.377 4.047 148 HH21 ARG 17 HH21 ARG 17 -4.387 -7.378 4.701 149 HH22 ARG 17 HH22 ARG 17 -5.913 -7.826 4.002 150 H PHE 18 H PHE 18 -3.929 -0.258 2.943 151 HA PHE 18 HA PHE 18 -4.404 1.912 4.921 152 HB2 PHE 18 HB2 PHE 18 -2.953 2.749 3.069 153 HB3 PHE 18 HB3 PHE 18 -4.168 2.252 1.901 154 HD1 PHE 18 HD1 PHE 18 -4.608 4.036 5.179 155 HD2 PHE 18 HD2 PHE 18 -4.862 4.280 0.918 156 HE1 PHE 18 HE1 PHE 18 -5.611 6.267 5.359 157 HE2 PHE 18 HE2 PHE 18 -5.834 6.525 1.098 158 HZ PHE 18 HZ PHE 18 -6.242 7.509 3.326 159 H LYS 19 H LYS 19 -6.443 2.431 5.211 160 HA LYS 19 HA LYS 19 -8.485 0.612 4.104 161 HB2 LYS 19 HB2 LYS 19 -8.401 2.228 6.707 162 HB3 LYS 19 HB3 LYS 19 -9.702 1.132 6.224 163 HG2 LYS 19 HG2 LYS 19 -6.810 0.326 6.735 164 HG3 LYS 19 HG3 LYS 19 -8.165 0.063 7.842 165 HD2 LYS 19 HD2 LYS 19 -8.088 -1.066 5.005 166 HD3 LYS 19 HD3 LYS 19 -7.494 -1.955 6.401 167 HE2 LYS 19 HE2 LYS 19 -10.319 -0.874 6.301 168 HE3 LYS 19 HE3 LYS 19 -9.896 -2.437 5.621 169 HZ1 LYS 19 HZ1 LYS 19 -9.516 -1.606 8.439 170 HZ2 LYS 19 HZ2 LYS 19 -9.060 -3.099 7.800 171 HZ3 LYS 19 HZ3 LYS 19 -10.695 -2.673 7.868 172 H ALA 20 H ALA 20 -10.740 1.712 4.521 173 HA ALA 20 HA ALA 20 -10.876 4.489 3.559 174 HB1 ALA 20 HB1 ALA 20 -12.727 3.907 2.051 175 HB2 ALA 20 HB2 ALA 20 -12.574 2.203 2.486 176 HB3 ALA 20 HB3 ALA 20 -11.275 3.011 1.607 177 H SER 21 H SER 21 -12.926 5.513 4.170 178 HA SER 21 HA SER 21 -13.628 5.383 6.781 179 HB2 SER 21 HB2 SER 21 -15.633 6.731 6.189 180 HB3 SER 21 HB3 SER 21 -14.202 7.262 5.308 181 HG SER 21 HG SER 21 -16.454 5.860 4.385 182 H ASN 22 H ASN 22 -15.055 3.395 4.247 183 HA ASN 22 HA ASN 22 -17.245 2.394 5.908 184 HB2 ASN 22 HB2 ASN 22 -16.356 1.685 3.082 185 HB3 ASN 22 HB3 ASN 22 -17.797 1.039 3.860 186 HD21 ASN 22 HD21 ASN 22 -17.490 2.646 1.446 187 HD22 ASN 22 HD22 ASN 22 -18.498 4.037 1.662 188 H GLY 23 H GLY 23 -14.170 1.761 6.265 189 HA2 GLY 23 HA2 GLY 23 -12.970 0.036 7.191 190 HA3 GLY 23 HA3 GLY 23 -14.420 -0.946 7.188 191 H GLU 24 H GLU 24 -13.738 0.383 4.148 192 HA GLU 24 HA GLU 24 -13.061 -2.149 2.937 193 HB2 GLU 24 HB2 GLU 24 -13.024 0.651 1.721 194 HB3 GLU 24 HB3 GLU 24 -13.009 -0.865 0.828 195 HG2 GLU 24 HG2 GLU 24 -15.283 0.176 2.544 196 HG3 GLU 24 HG3 GLU 24 -15.216 0.189 0.783 197 H THR 25 H THR 25 -11.082 -2.570 1.723 198 HA THR 25 HA THR 25 -8.714 -0.947 2.487 199 HB THR 25 HB THR 25 -8.669 -3.919 1.803 200 HG1 THR 25 HG1 THR 25 -9.778 -3.609 3.755 201 HG21 THR 25 HG21 THR 25 -6.557 -2.156 3.084 202 HG22 THR 25 HG22 THR 25 -6.510 -2.776 1.431 203 HG23 THR 25 HG23 THR 25 -6.410 -3.892 2.796 204 H MET 26 H MET 26 -7.141 -0.678 0.855 205 HA MET 26 HA MET 26 -8.044 -1.138 -1.924 206 HB2 MET 26 HB2 MET 26 -7.125 1.224 -2.407 207 HB3 MET 26 HB3 MET 26 -8.680 1.100 -1.602 208 HG2 MET 26 HG2 MET 26 -7.383 2.865 -0.603 209 HG3 MET 26 HG3 MET 26 -7.587 1.562 0.567 210 HE1 MET 26 HE1 MET 26 -5.066 1.650 -2.488 211 HE2 MET 26 HE2 MET 26 -3.696 2.452 -1.724 212 HE3 MET 26 HE3 MET 26 -5.216 3.320 -1.941 213 H PHE 27 H PHE 27 -5.215 -0.678 0.249 214 HA PHE 27 HA PHE 27 -3.867 -2.525 -1.580 215 HB2 PHE 27 HB2 PHE 27 -1.830 -1.412 -1.827 216 HB3 PHE 27 HB3 PHE 27 -2.976 -0.100 -1.966 217 HD1 PHE 27 HD1 PHE 27 -0.343 -1.609 0.217 218 HD2 PHE 27 HD2 PHE 27 -2.915 1.727 -0.371 219 HE1 PHE 27 HE1 PHE 27 0.954 -0.290 1.853 220 HE2 PHE 27 HE2 PHE 27 -1.653 3.044 1.213 221 HZ PHE 27 HZ PHE 27 0.317 2.043 2.352 222 H SER 28 H SER 28 -2.372 -3.800 -0.727 223 HA SER 28 HA SER 28 -1.731 -3.656 2.150 224 HB2 SER 28 HB2 SER 28 -3.350 -5.585 1.722 225 HB3 SER 28 HB3 SER 28 -2.127 -6.306 0.673 226 HG SER 28 HG SER 28 -0.854 -6.685 2.383 227 H SER 29 H SER 29 0.475 -3.922 2.509 228 HA SER 29 HA SER 29 2.147 -3.651 0.097 229 HB2 SER 29 HB2 SER 29 2.243 -1.787 1.678 230 HB3 SER 29 HB3 SER 29 2.574 -2.876 3.022 231 HG SER 29 HG SER 29 4.276 -2.455 0.779 232 H GLU 30 H GLU 30 4.452 -4.503 0.516 233 HA GLU 30 HA GLU 30 4.393 -7.254 1.512 234 HB2 GLU 30 HB2 GLU 30 6.910 -7.080 0.584 235 HB3 GLU 30 HB3 GLU 30 5.543 -7.381 -0.467 236 HG2 GLU 30 HG2 GLU 30 7.039 -5.789 -1.482 237 HG3 GLU 30 HG3 GLU 30 5.494 -5.023 -1.137 238 H GLY 31 H GLY 31 4.843 -4.320 2.885 239 HA2 GLY 31 HA2 GLY 31 5.177 -3.992 5.168 240 HA3 GLY 31 HA3 GLY 31 6.002 -5.534 5.276 241 H TYR 32 H TYR 32 7.496 -4.396 2.783 242 HA TYR 32 HA TYR 32 9.258 -3.158 2.150 243 HB2 TYR 32 HB2 TYR 32 8.283 -1.205 3.309 244 HB3 TYR 32 HB3 TYR 32 9.020 -1.714 4.824 245 HD1 TYR 32 HD1 TYR 32 10.297 -1.282 1.298 246 HD2 TYR 32 HD2 TYR 32 10.781 -0.262 5.417 247 HE1 TYR 32 HE1 TYR 32 12.286 0.036 0.744 248 HE2 TYR 32 HE2 TYR 32 12.775 1.052 4.856 249 HH TYR 32 HH TYR 32 13.555 1.871 1.651 250 H LYS 33 H LYS 33 9.659 -3.936 5.638 251 HA LYS 33 HA LYS 33 11.754 -5.853 5.078 252 HB2 LYS 33 HB2 LYS 33 13.092 -3.800 5.011 253 HB3 LYS 33 HB3 LYS 33 12.411 -3.255 6.533 254 HG2 LYS 33 HG2 LYS 33 14.680 -4.059 6.875 255 HG3 LYS 33 HG3 LYS 33 13.537 -5.111 7.714 256 HD2 LYS 33 HD2 LYS 33 13.686 -6.718 5.777 257 HD3 LYS 33 HD3 LYS 33 14.927 -5.680 5.065 258 HE2 LYS 33 HE2 LYS 33 15.117 -7.116 7.735 259 HE3 LYS 33 HE3 LYS 33 15.923 -7.595 6.242 260 HZ1 LYS 33 HZ1 LYS 33 17.126 -5.479 6.295 261 HZ2 LYS 33 HZ2 LYS 33 17.442 -6.423 7.657 262 HZ3 LYS 33 HZ3 LYS 33 16.402 -5.097 7.771 263 H ALA 34 H ALA 34 10.485 -3.799 7.705 264 HA ALA 34 HA ALA 34 9.633 -6.073 9.323 265 HB1 ALA 34 HB1 ALA 34 11.799 -4.163 10.296 266 HB2 ALA 34 HB2 ALA 34 12.023 -5.874 9.924 267 HB3 ALA 34 HB3 ALA 34 11.001 -5.393 11.281 268 H LYS 35 H LYS 35 9.022 -4.685 11.749 269 HA LYS 35 HA LYS 35 6.766 -3.181 10.878 270 HB2 LYS 35 HB2 LYS 35 6.538 -4.539 12.847 271 HB3 LYS 35 HB3 LYS 35 7.924 -3.773 13.620 272 HG2 LYS 35 HG2 LYS 35 6.640 -1.630 13.722 273 HG3 LYS 35 HG3 LYS 35 5.239 -2.463 13.039 274 HD2 LYS 35 HD2 LYS 35 4.979 -3.817 14.971 275 HD3 LYS 35 HD3 LYS 35 6.588 -3.411 15.568 276 HE2 LYS 35 HE2 LYS 35 5.881 -1.138 16.058 277 HE3 LYS 35 HE3 LYS 35 4.293 -1.450 15.350 278 HZ1 LYS 35 HZ1 LYS 35 3.773 -2.943 17.060 279 HZ2 LYS 35 HZ2 LYS 35 4.412 -1.576 17.818 280 HZ3 LYS 35 HZ3 LYS 35 5.356 -2.969 17.653 281 H ALA 36 H ALA 36 9.772 -2.295 12.649 282 HA ALA 36 HA ALA 36 9.327 0.427 12.960 283 HB1 ALA 36 HB1 ALA 36 11.199 -0.751 14.051 284 HB2 ALA 36 HB2 ALA 36 11.783 0.666 13.177 285 HB3 ALA 36 HB3 ALA 36 12.003 -0.946 12.492 286 H SER 37 H SER 37 10.755 -1.337 10.261 287 HA SER 37 HA SER 37 11.328 0.837 8.534 288 HB2 SER 37 HB2 SER 37 10.726 -2.050 7.769 289 HB3 SER 37 HB3 SER 37 11.694 -0.885 6.863 290 HG SER 37 HG SER 37 13.187 -0.911 8.616 291 H ALA 38 H ALA 38 8.434 -1.032 9.210 292 HA ALA 38 HA ALA 38 6.917 -0.328 6.897 293 HB1 ALA 38 HB1 ALA 38 4.985 -1.274 8.087 294 HB2 ALA 38 HB2 ALA 38 5.913 -1.330 9.589 295 HB3 ALA 38 HB3 ALA 38 6.386 -2.343 8.224 296 H ILE 39 H ILE 39 6.868 0.930 10.334 297 HA ILE 39 HA ILE 39 5.132 3.042 10.000 298 HB ILE 39 HB ILE 39 7.546 2.741 11.835 299 HG12 ILE 39 HG12 ILE 39 5.640 2.903 13.610 300 HG13 ILE 39 HG13 ILE 39 4.529 2.718 12.265 301 HG21 ILE 39 HG21 ILE 39 6.913 4.819 13.055 302 HG22 ILE 39 HG22 ILE 39 5.747 5.196 11.786 303 HG23 ILE 39 HG23 ILE 39 7.470 5.151 11.413 304 HD11 ILE 39 HD11 ILE 39 5.504 0.525 11.793 305 HD12 ILE 39 HD12 ILE 39 4.865 0.646 13.432 306 HD13 ILE 39 HD13 ILE 39 6.605 0.735 13.157 307 H HIS 40 H HIS 40 8.683 3.059 9.491 308 HA HIS 40 HA HIS 40 8.936 5.758 8.739 309 HB2 HIS 40 HB2 HIS 40 10.690 3.331 8.326 310 HB3 HIS 40 HB3 HIS 40 11.116 4.848 7.536 311 HD1 HIS 40 HD1 HIS 40 12.442 6.439 8.880 312 HD2 HIS 40 HD2 HIS 40 10.473 3.690 11.291 313 HE1 HIS 40 HE1 HIS 40 13.248 6.888 11.209 314 HE2 HIS 40 HE2 HIS 40 12.176 5.105 12.619 315 H ALA 41 H ALA 41 8.277 2.868 6.771 316 HA ALA 41 HA ALA 41 8.236 4.052 4.250 317 HB1 ALA 41 HB1 ALA 41 8.163 1.613 4.611 318 HB2 ALA 41 HB2 ALA 41 6.812 2.134 3.603 319 HB3 ALA 41 HB3 ALA 41 6.548 1.748 5.307 320 H ILE 42 H ILE 42 5.511 3.487 6.518 321 HA ILE 42 HA ILE 42 3.521 4.874 5.142 322 HB ILE 42 HB ILE 42 3.839 4.449 8.137 323 HG12 ILE 42 HG12 ILE 42 2.095 2.877 6.179 324 HG13 ILE 42 HG13 ILE 42 3.736 2.393 6.596 325 HG21 ILE 42 HG21 ILE 42 2.232 6.268 7.759 326 HG22 ILE 42 HG22 ILE 42 1.382 4.824 8.305 327 HG23 ILE 42 HG23 ILE 42 1.339 5.279 6.600 328 HD11 ILE 42 HD11 ILE 42 3.105 2.102 8.896 329 HD12 ILE 42 HD12 ILE 42 2.042 1.175 7.836 330 HD13 ILE 42 HD13 ILE 42 1.470 2.681 8.552 331 H GLU 43 H GLU 43 6.153 6.107 7.094 332 HA GLU 43 HA GLU 43 5.095 8.681 7.630 333 HB2 GLU 43 HB2 GLU 43 7.963 7.692 7.595 334 HB3 GLU 43 HB3 GLU 43 7.535 9.353 8.004 335 HG2 GLU 43 HG2 GLU 43 6.063 8.457 9.837 336 HG3 GLU 43 HG3 GLU 43 6.688 6.849 9.489 337 H SER 44 H SER 44 6.871 7.320 4.851 338 HA SER 44 HA SER 44 7.217 9.597 3.275 339 HB2 SER 44 HB2 SER 44 6.432 6.758 2.550 340 HB3 SER 44 HB3 SER 44 6.629 7.979 1.291 341 HG SER 44 HG SER 44 8.766 8.282 2.591 342 H ILE 45 H ILE 45 4.250 7.772 3.931 343 HA ILE 45 HA ILE 45 2.732 9.007 1.857 344 HB ILE 45 HB ILE 45 1.279 7.797 4.254 345 HG12 ILE 45 HG12 ILE 45 3.192 6.191 3.618 346 HG13 ILE 45 HG13 ILE 45 1.570 5.521 3.504 347 HG21 ILE 45 HG21 ILE 45 -0.249 7.052 2.430 348 HG22 ILE 45 HG22 ILE 45 0.839 7.804 1.245 349 HG23 ILE 45 HG23 ILE 45 -0.003 8.802 2.442 350 HD11 ILE 45 HD11 ILE 45 3.272 6.481 1.216 351 HD12 ILE 45 HD12 ILE 45 1.637 5.831 1.071 352 HD13 ILE 45 HD13 ILE 45 2.943 4.809 1.659 353 H LYS 46 H LYS 46 3.071 9.453 5.370 354 HA LYS 46 HA LYS 46 1.150 11.394 5.830 355 HB2 LYS 46 HB2 LYS 46 3.758 11.303 7.397 356 HB3 LYS 46 HB3 LYS 46 2.153 11.734 7.967 357 HG2 LYS 46 HG2 LYS 46 3.279 8.986 7.413 358 HG3 LYS 46 HG3 LYS 46 2.628 9.621 8.923 359 HD2 LYS 46 HD2 LYS 46 1.014 8.996 6.412 360 HD3 LYS 46 HD3 LYS 46 1.105 7.977 7.848 361 HE2 LYS 46 HE2 LYS 46 0.090 10.827 7.959 362 HE3 LYS 46 HE3 LYS 46 -0.941 9.462 7.596 363 HZ1 LYS 46 HZ1 LYS 46 -1.023 9.981 9.928 364 HZ2 LYS 46 HZ2 LYS 46 0.656 9.833 10.064 365 HZ3 LYS 46 HZ3 LYS 46 -0.285 8.474 9.721 366 H ARG 47 H ARG 47 4.228 11.698 4.400 367 HA ARG 47 HA ARG 47 4.895 14.391 4.965 368 HB2 ARG 47 HB2 ARG 47 5.693 12.724 2.539 369 HB3 ARG 47 HB3 ARG 47 6.411 14.273 2.965 370 HG2 ARG 47 HG2 ARG 47 6.556 11.740 4.608 371 HG3 ARG 47 HG3 ARG 47 7.846 12.399 3.610 372 HD2 ARG 47 HD2 ARG 47 6.637 13.738 6.054 373 HD3 ARG 47 HD3 ARG 47 8.189 12.894 6.010 374 HE ARG 47 HE ARG 47 7.805 15.148 4.183 375 HH11 ARG 47 HH11 ARG 47 9.257 14.064 7.185 376 HH12 ARG 47 HH12 ARG 47 10.358 15.400 7.257 377 HH21 ARG 47 HH21 ARG 47 9.252 16.864 4.299 378 HH22 ARG 47 HH22 ARG 47 10.359 16.977 5.630 379 H ASN 48 H ASN 48 3.563 13.100 1.865 380 HA ASN 48 HA ASN 48 1.940 15.412 1.332 381 HB2 ASN 48 HB2 ASN 48 4.354 16.269 1.044 382 HB3 ASN 48 HB3 ASN 48 4.474 15.224 -0.360 383 HD21 ASN 48 HD21 ASN 48 2.967 18.090 0.974 384 HD22 ASN 48 HD22 ASN 48 2.441 18.759 -0.530 385 H SER 49 H SER 49 2.025 12.371 1.149 386 HA SER 49 HA SER 49 2.188 11.512 -1.551 387 HB2 SER 49 HB2 SER 49 2.443 10.036 0.409 388 HB3 SER 49 HB3 SER 49 0.731 10.220 0.772 389 HG SER 49 HG SER 49 1.951 8.922 -1.405 390 H ALA 50 H ALA 50 -0.559 12.605 0.409 391 HA ALA 50 HA ALA 50 -2.664 12.072 -1.341 392 HB1 ALA 50 HB1 ALA 50 -2.390 14.421 0.562 393 HB2 ALA 50 HB2 ALA 50 -2.969 12.812 0.993 394 HB3 ALA 50 HB3 ALA 50 -3.901 13.813 -0.124 395 H GLY 51 H GLY 51 -0.254 14.626 -1.407 396 HA2 GLY 51 HA2 GLY 51 -1.471 15.895 -3.779 397 HA3 GLY 51 HA3 GLY 51 -0.224 16.582 -2.753 398 H ALA 52 H ALA 52 0.793 13.479 -3.153 399 HA ALA 52 HA ALA 52 2.823 13.988 -5.041 400 HB1 ALA 52 HB1 ALA 52 3.284 11.577 -4.990 401 HB2 ALA 52 HB2 ALA 52 1.722 11.274 -4.201 402 HB3 ALA 52 HB3 ALA 52 2.980 12.180 -3.355 403 H ASP 53 H ASP 53 3.132 12.832 -7.154 404 HA ASP 53 HA ASP 53 0.722 13.028 -8.798 405 HB2 ASP 53 HB2 ASP 53 2.838 14.073 -9.577 406 HB3 ASP 53 HB3 ASP 53 3.614 12.491 -9.601 407 H THR 54 H THR 54 0.056 11.304 -10.244 408 HA THR 54 HA THR 54 0.858 8.568 -9.407 409 HB THR 54 HB THR 54 -1.843 9.514 -10.468 410 HG1 THR 54 HG1 THR 54 -1.005 8.798 -7.827 411 HG21 THR 54 HG21 THR 54 -2.662 7.266 -9.750 412 HG22 THR 54 HG22 THR 54 -1.002 6.797 -9.374 413 HG23 THR 54 HG23 THR 54 -1.459 7.150 -11.041 414 H VAL 55 H VAL 55 2.287 7.911 -10.888 415 HA VAL 55 HA VAL 55 1.994 8.529 -13.762 416 HB VAL 55 HB VAL 55 4.362 7.152 -12.414 417 HG11 VAL 55 HG11 VAL 55 4.243 6.873 -14.860 418 HG12 VAL 55 HG12 VAL 55 5.633 7.852 -14.398 419 HG13 VAL 55 HG13 VAL 55 4.197 8.625 -15.072 420 HG21 VAL 55 HG21 VAL 55 4.088 9.315 -11.321 421 HG22 VAL 55 HG22 VAL 55 4.039 10.134 -12.885 422 HG23 VAL 55 HG23 VAL 55 5.519 9.329 -12.353 423 H ASP 56 H ASP 56 1.410 6.961 -15.186 424 HA ASP 56 HA ASP 56 1.298 4.127 -14.360 425 HB2 ASP 56 HB2 ASP 56 -0.202 3.809 -16.335 426 HB3 ASP 56 HB3 ASP 56 -0.838 4.943 -15.156 427 H LEU 57 H LEU 57 3.238 3.235 -14.747 428 HA LEU 57 HA LEU 57 4.909 3.788 -17.010 429 HB2 LEU 57 HB2 LEU 57 5.006 1.708 -14.802 430 HB3 LEU 57 HB3 LEU 57 6.221 1.793 -16.063 431 HG LEU 57 HG LEU 57 6.968 3.994 -15.265 432 HD11 LEU 57 HD11 LEU 57 4.869 4.938 -14.442 433 HD12 LEU 57 HD12 LEU 57 6.116 5.015 -13.200 434 HD13 LEU 57 HD13 LEU 57 4.850 3.786 -13.104 435 HD21 LEU 57 HD21 LEU 57 6.754 1.963 -13.022 436 HD22 LEU 57 HD22 LEU 57 7.915 3.293 -13.095 437 HD23 LEU 57 HD23 LEU 57 7.991 1.995 -14.284 438 H THR 58 H THR 58 2.363 1.443 -16.382 439 HA THR 58 HA THR 58 3.498 -0.580 -18.186 440 HB THR 58 HB THR 58 2.661 -1.369 -16.036 441 HG1 THR 58 HG1 THR 58 1.301 -2.249 -18.336 442 HG21 THR 58 HG21 THR 58 0.901 0.318 -15.613 443 HG22 THR 58 HG22 THR 58 0.307 -1.326 -15.405 444 HG23 THR 58 HG23 THR 58 -0.102 -0.428 -16.870 445 H THR 59 H THR 59 1.477 2.077 -18.498 446 HA THR 59 HA THR 59 -0.066 0.932 -20.743 447 HB THR 59 HB THR 59 -2.019 2.462 -19.937 448 HG1 THR 59 HG1 THR 59 -0.558 3.403 -18.257 449 HG21 THR 59 HG21 THR 59 -2.208 0.002 -19.806 450 HG22 THR 59 HG22 THR 59 -2.955 0.767 -18.402 451 HG23 THR 59 HG23 THR 59 -1.365 0.014 -18.254 452 H MET 60 H MET 60 2.368 2.719 -20.294 453 HA MET 60 HA MET 60 1.580 4.818 -22.209 454 HB2 MET 60 HB2 MET 60 1.696 5.796 -19.871 455 HB3 MET 60 HB3 MET 60 3.394 5.347 -19.811 456 HG2 MET 60 HG2 MET 60 3.119 7.715 -20.360 457 HG3 MET 60 HG3 MET 60 3.868 6.846 -21.701 458 HE1 MET 60 HE1 MET 60 -0.601 8.109 -21.689 459 HE2 MET 60 HE2 MET 60 0.497 8.462 -20.356 460 HE3 MET 60 HE3 MET 60 0.025 6.798 -20.693 461 H THR 61 H THR 61 4.528 3.777 -20.447 462 HA THR 61 HA THR 61 5.999 3.579 -23.000 463 HB THR 61 HB THR 61 8.041 3.494 -21.502 464 HG1 THR 61 HG1 THR 61 7.034 2.762 -19.589 465 HG21 THR 61 HG21 THR 61 7.304 5.661 -22.475 466 HG22 THR 61 HG22 THR 61 8.034 5.880 -20.885 467 HG23 THR 61 HG23 THR 61 6.280 5.942 -21.064 468 H ALA 62 H ALA 62 6.066 1.591 -23.857 469 HA ALA 62 HA ALA 62 6.600 -0.777 -22.230 470 HB1 ALA 62 HB1 ALA 62 4.132 -0.633 -22.148 471 HB2 ALA 62 HB2 ALA 62 4.648 -2.035 -23.090 472 HB3 ALA 62 HB3 ALA 62 4.062 -0.585 -23.909 473 H MET 1 H MET 1 10.945 14.269 -8.065 474 HA MET 1 HA MET 1 9.357 14.988 -6.442 475 HB2 MET 1 HB2 MET 1 7.884 16.129 -8.206 476 HB3 MET 1 HB3 MET 1 7.233 14.544 -8.578 477 HG2 MET 1 HG2 MET 1 6.355 14.370 -6.297 478 HG3 MET 1 HG3 MET 1 6.995 15.979 -5.936 479 HE1 MET 1 HE1 MET 1 3.890 15.363 -5.507 480 HE2 MET 1 HE2 MET 1 3.117 16.735 -6.297 481 HE3 MET 1 HE3 MET 1 4.540 16.989 -5.290 482 H TYR 2 H TYR 2 8.435 13.374 -5.115 483 HA TYR 2 HA TYR 2 8.539 10.650 -6.082 484 HB2 TYR 2 HB2 TYR 2 7.667 10.065 -3.767 485 HB3 TYR 2 HB3 TYR 2 9.253 10.792 -3.875 486 HD1 TYR 2 HD1 TYR 2 9.631 13.097 -3.054 487 HD2 TYR 2 HD2 TYR 2 5.854 11.199 -2.580 488 HE1 TYR 2 HE1 TYR 2 9.069 14.677 -1.268 489 HE2 TYR 2 HE2 TYR 2 5.274 12.785 -0.792 490 HH TYR 2 HH TYR 2 6.940 15.625 -0.279 491 H LYS 3 H LYS 3 6.749 9.206 -6.023 492 HA LYS 3 HA LYS 3 4.127 10.141 -6.532 493 HB2 LYS 3 HB2 LYS 3 4.294 9.654 -9.111 494 HB3 LYS 3 HB3 LYS 3 4.792 11.218 -8.504 495 HG2 LYS 3 HG2 LYS 3 6.333 10.483 -10.216 496 HG3 LYS 3 HG3 LYS 3 7.170 10.529 -8.662 497 HD2 LYS 3 HD2 LYS 3 7.068 8.099 -8.477 498 HD3 LYS 3 HD3 LYS 3 6.054 7.992 -9.922 499 HE2 LYS 3 HE2 LYS 3 8.401 7.388 -10.408 500 HE3 LYS 3 HE3 LYS 3 7.906 8.823 -11.309 501 HZ1 LYS 3 HZ1 LYS 3 10.095 9.092 -10.365 502 HZ2 LYS 3 HZ2 LYS 3 9.501 8.799 -8.811 503 HZ3 LYS 3 HZ3 LYS 3 9.024 10.187 -9.649 504 H PHE 4 H PHE 4 2.965 8.435 -7.990 505 HA PHE 4 HA PHE 4 3.521 5.786 -6.829 506 HB2 PHE 4 HB2 PHE 4 0.983 6.918 -8.089 507 HB3 PHE 4 HB3 PHE 4 1.143 5.297 -7.414 508 HD1 PHE 4 HD1 PHE 4 1.376 4.957 -4.987 509 HD2 PHE 4 HD2 PHE 4 0.760 8.877 -6.607 510 HE1 PHE 4 HE1 PHE 4 0.777 5.797 -2.759 511 HE2 PHE 4 HE2 PHE 4 0.163 9.696 -4.373 512 HZ PHE 4 HZ PHE 4 0.169 8.156 -2.464 513 H GLU 5 H GLU 5 4.540 4.420 -8.112 514 HA GLU 5 HA GLU 5 4.467 4.711 -11.038 515 HB2 GLU 5 HB2 GLU 5 6.210 2.931 -9.269 516 HB3 GLU 5 HB3 GLU 5 6.317 3.039 -11.030 517 HG2 GLU 5 HG2 GLU 5 6.796 5.511 -10.738 518 HG3 GLU 5 HG3 GLU 5 6.928 5.204 -9.007 519 H ILE 6 H ILE 6 2.919 3.597 -12.094 520 HA ILE 6 HA ILE 6 1.725 1.182 -10.890 521 HB ILE 6 HB ILE 6 0.685 2.892 -13.204 522 HG12 ILE 6 HG12 ILE 6 -0.404 2.881 -10.353 523 HG13 ILE 6 HG13 ILE 6 0.756 4.076 -10.925 524 HG21 ILE 6 HG21 ILE 6 -1.428 1.627 -12.917 525 HG22 ILE 6 HG22 ILE 6 -0.696 0.683 -11.616 526 HG23 ILE 6 HG23 ILE 6 -0.079 0.534 -13.265 527 HD11 ILE 6 HD11 ILE 6 -1.994 3.614 -12.048 528 HD12 ILE 6 HD12 ILE 6 -0.843 4.833 -12.600 529 HD13 ILE 6 HD13 ILE 6 -1.513 4.919 -10.971 530 H TYR 7 H TYR 7 2.773 -0.525 -11.649 531 HA TYR 7 HA TYR 7 3.236 -0.792 -14.537 532 HB2 TYR 7 HB2 TYR 7 5.401 -1.874 -14.154 533 HB3 TYR 7 HB3 TYR 7 5.420 -0.251 -13.484 534 HD1 TYR 7 HD1 TYR 7 5.129 0.023 -10.948 535 HD2 TYR 7 HD2 TYR 7 5.926 -3.763 -12.774 536 HE1 TYR 7 HE1 TYR 7 5.885 -0.871 -8.802 537 HE2 TYR 7 HE2 TYR 7 6.685 -4.641 -10.612 538 HH TYR 7 HH TYR 7 7.533 -3.857 -8.507 539 H GLN 8 H GLN 8 3.719 -3.226 -14.955 540 HA GLN 8 HA GLN 8 2.422 -4.969 -12.946 541 HB2 GLN 8 HB2 GLN 8 1.361 -6.289 -14.525 542 HB3 GLN 8 HB3 GLN 8 1.236 -4.710 -15.285 543 HG2 GLN 8 HG2 GLN 8 3.346 -5.402 -16.608 544 HG3 GLN 8 HG3 GLN 8 3.020 -7.026 -16.024 545 HE21 GLN 8 HE21 GLN 8 1.052 -8.060 -16.666 546 HE22 GLN 8 HE22 GLN 8 0.208 -7.563 -18.086 547 H ASP 9 H ASP 9 3.469 -6.836 -12.489 548 HA ASP 9 HA ASP 9 6.323 -6.810 -12.709 549 HB2 ASP 9 HB2 ASP 9 5.204 -7.305 -10.558 550 HB3 ASP 9 HB3 ASP 9 4.372 -8.679 -11.273 551 H LYS 10 H LYS 10 7.523 -8.711 -13.407 552 HA LYS 10 HA LYS 10 7.097 -9.632 -15.938 553 HB2 LYS 10 HB2 LYS 10 8.795 -11.482 -15.351 554 HB3 LYS 10 HB3 LYS 10 9.287 -9.817 -15.106 555 HG2 LYS 10 HG2 LYS 10 10.140 -10.925 -13.225 556 HG3 LYS 10 HG3 LYS 10 8.677 -10.149 -12.631 557 HD2 LYS 10 HD2 LYS 10 8.857 -12.396 -11.704 558 HD3 LYS 10 HD3 LYS 10 7.469 -12.307 -12.783 559 HE2 LYS 10 HE2 LYS 10 8.783 -13.411 -14.564 560 HE3 LYS 10 HE3 LYS 10 10.168 -13.521 -13.473 561 HZ1 LYS 10 HZ1 LYS 10 8.946 -15.586 -13.547 562 HZ2 LYS 10 HZ2 LYS 10 7.519 -14.808 -13.076 563 HZ3 LYS 10 HZ3 LYS 10 8.824 -14.903 -12.009 564 H ALA 11 H ALA 11 5.810 -11.003 -13.037 565 HA ALA 11 HA ALA 11 4.820 -13.506 -14.146 566 HB1 ALA 11 HB1 ALA 11 4.188 -12.118 -11.515 567 HB2 ALA 11 HB2 ALA 11 5.457 -13.316 -11.773 568 HB3 ALA 11 HB3 ALA 11 3.763 -13.787 -11.918 569 H GLY 12 H GLY 12 3.900 -10.589 -15.010 570 HA2 GLY 12 HA2 GLY 12 2.075 -9.596 -15.944 571 HA3 GLY 12 HA3 GLY 12 1.254 -11.140 -15.835 572 H GLU 13 H GLU 13 2.607 -9.487 -13.046 573 HA GLU 13 HA GLU 13 -0.126 -9.373 -11.855 574 HB2 GLU 13 HB2 GLU 13 2.599 -9.552 -10.508 575 HB3 GLU 13 HB3 GLU 13 1.068 -9.379 -9.651 576 HG2 GLU 13 HG2 GLU 13 0.354 -11.562 -10.748 577 HG3 GLU 13 HG3 GLU 13 2.029 -11.741 -11.275 578 H TYR 14 H TYR 14 -0.839 -7.280 -12.354 579 HA TYR 14 HA TYR 14 0.620 -4.945 -12.322 580 HB2 TYR 14 HB2 TYR 14 -2.324 -5.399 -11.706 581 HB3 TYR 14 HB3 TYR 14 -1.621 -3.781 -11.750 582 HD1 TYR 14 HD1 TYR 14 -0.773 -2.827 -13.861 583 HD2 TYR 14 HD2 TYR 14 -2.606 -6.686 -13.803 584 HE1 TYR 14 HE1 TYR 14 -0.932 -2.791 -16.312 585 HE2 TYR 14 HE2 TYR 14 -2.771 -6.639 -16.253 586 HH TYR 14 HH TYR 14 -1.104 -4.439 -18.172 587 H ARG 15 H ARG 15 1.406 -3.652 -10.942 588 HA ARG 15 HA ARG 15 1.044 -3.826 -8.023 589 HB2 ARG 15 HB2 ARG 15 3.621 -4.362 -9.512 590 HB3 ARG 15 HB3 ARG 15 3.754 -3.370 -8.073 591 HG2 ARG 15 HG2 ARG 15 4.262 -5.563 -7.384 592 HG3 ARG 15 HG3 ARG 15 2.637 -5.231 -6.792 593 HD2 ARG 15 HD2 ARG 15 1.786 -6.438 -8.880 594 HD3 ARG 15 HD3 ARG 15 3.453 -6.962 -9.119 595 HE ARG 15 HE ARG 15 3.304 -8.064 -6.930 596 HH11 ARG 15 HH11 ARG 15 0.319 -7.396 -8.648 597 HH12 ARG 15 HH12 ARG 15 -0.596 -8.562 -7.745 598 HH21 ARG 15 HH21 ARG 15 2.087 -9.600 -5.764 599 HH22 ARG 15 HH22 ARG 15 0.402 -9.807 -6.124 600 H PHE 16 H PHE 16 1.049 -1.812 -7.088 601 HA PHE 16 HA PHE 16 2.314 0.417 -8.563 602 HB2 PHE 16 HB2 PHE 16 0.642 1.976 -7.609 603 HB3 PHE 16 HB3 PHE 16 -0.080 0.790 -8.677 604 HD1 PHE 16 HD1 PHE 16 -1.559 -0.995 -7.759 605 HD2 PHE 16 HD2 PHE 16 0.028 2.075 -5.235 606 HE1 PHE 16 HE1 PHE 16 -3.274 -1.492 -6.066 607 HE2 PHE 16 HE2 PHE 16 -1.690 1.566 -3.550 608 HZ PHE 16 HZ PHE 16 -3.344 -0.210 -3.970 609 H ARG 17 H ARG 17 3.791 1.508 -7.491 610 HA ARG 17 HA ARG 17 4.268 0.932 -4.614 611 HB2 ARG 17 HB2 ARG 17 6.285 1.805 -6.739 612 HB3 ARG 17 HB3 ARG 17 6.645 1.399 -5.064 613 HG2 ARG 17 HG2 ARG 17 5.974 -0.938 -5.512 614 HG3 ARG 17 HG3 ARG 17 5.661 -0.514 -7.192 615 HD2 ARG 17 HD2 ARG 17 8.357 -0.307 -5.800 616 HD3 ARG 17 HD3 ARG 17 7.865 -1.614 -6.883 617 HE ARG 17 HE ARG 17 7.887 1.156 -7.906 618 HH11 ARG 17 HH11 ARG 17 9.340 -2.034 -7.948 619 HH12 ARG 17 HH12 ARG 17 10.258 -1.722 -9.381 620 HH21 ARG 17 HH21 ARG 17 9.116 1.514 -9.811 621 HH22 ARG 17 HH22 ARG 17 10.144 0.257 -10.416 622 H PHE 18 H PHE 18 5.407 2.736 -3.485 623 HA PHE 18 HA PHE 18 4.897 5.424 -4.647 624 HB2 PHE 18 HB2 PHE 18 3.348 4.995 -2.734 625 HB3 PHE 18 HB3 PHE 18 4.733 4.677 -1.698 626 HD1 PHE 18 HD1 PHE 18 4.215 7.409 -4.227 627 HD2 PHE 18 HD2 PHE 18 4.653 6.393 -0.100 628 HE1 PHE 18 HE1 PHE 18 4.235 9.786 -3.636 629 HE2 PHE 18 HE2 PHE 18 4.651 8.769 0.487 630 HZ PHE 18 HZ PHE 18 4.472 10.470 -1.283 631 H LYS 19 H LYS 19 6.562 6.749 -4.612 632 HA LYS 19 HA LYS 19 9.207 5.600 -3.995 633 HB2 LYS 19 HB2 LYS 19 8.354 7.781 -5.966 634 HB3 LYS 19 HB3 LYS 19 10.000 7.165 -5.765 635 HG2 LYS 19 HG2 LYS 19 7.600 5.528 -6.678 636 HG3 LYS 19 HG3 LYS 19 8.883 6.150 -7.725 637 HD2 LYS 19 HD2 LYS 19 9.421 4.263 -5.385 638 HD3 LYS 19 HD3 LYS 19 9.108 3.684 -7.017 639 HE2 LYS 19 HE2 LYS 19 11.321 5.675 -6.469 640 HE3 LYS 19 HE3 LYS 19 11.569 3.949 -6.261 641 HZ1 LYS 19 HZ1 LYS 19 10.952 3.616 -8.566 642 HZ2 LYS 19 HZ2 LYS 19 12.253 4.689 -8.448 643 HZ3 LYS 19 HZ3 LYS 19 10.700 5.274 -8.766 644 H ALA 20 H ALA 20 10.842 7.545 -3.898 645 HA ALA 20 HA ALA 20 9.960 9.720 -2.121 646 HB1 ALA 20 HB1 ALA 20 12.468 8.064 -1.672 647 HB2 ALA 20 HB2 ALA 20 11.005 7.991 -0.689 648 HB3 ALA 20 HB3 ALA 20 11.962 9.472 -0.735 649 H SER 21 H SER 21 11.421 11.576 -2.233 650 HA SER 21 HA SER 21 11.950 12.564 -4.703 651 HB2 SER 21 HB2 SER 21 13.500 13.315 -2.180 652 HB3 SER 21 HB3 SER 21 13.276 14.330 -3.608 653 HG SER 21 HG SER 21 11.255 14.718 -3.035 654 H ASN 22 H ASN 22 14.185 10.574 -2.817 655 HA ASN 22 HA ASN 22 16.502 11.045 -4.530 656 HB2 ASN 22 HB2 ASN 22 16.127 9.133 -2.190 657 HB3 ASN 22 HB3 ASN 22 17.661 9.462 -2.988 658 HD21 ASN 22 HD21 ASN 22 17.022 9.781 -0.209 659 HD22 ASN 22 HD22 ASN 22 17.253 11.448 0.184 660 H GLY 23 H GLY 23 13.885 9.431 -5.293 661 HA2 GLY 23 HA2 GLY 23 13.384 7.766 -6.800 662 HA3 GLY 23 HA3 GLY 23 15.096 7.459 -7.002 663 H GLU 24 H GLU 24 14.105 7.409 -3.772 664 HA GLU 24 HA GLU 24 14.544 4.574 -3.443 665 HB2 GLU 24 HB2 GLU 24 13.641 6.736 -1.494 666 HB3 GLU 24 HB3 GLU 24 14.012 5.084 -1.024 667 HG2 GLU 24 HG2 GLU 24 15.991 6.986 -2.315 668 HG3 GLU 24 HG3 GLU 24 15.844 6.719 -0.579 669 H THR 25 H THR 25 12.968 3.066 -2.558 670 HA THR 25 HA THR 25 10.115 3.822 -2.939 671 HB THR 25 HB THR 25 11.211 0.986 -3.197 672 HG1 THR 25 HG1 THR 25 12.102 2.264 -4.851 673 HG21 THR 25 HG21 THR 25 9.083 0.525 -4.348 674 HG22 THR 25 HG22 THR 25 8.582 2.201 -4.120 675 HG23 THR 25 HG23 THR 25 8.783 1.141 -2.722 676 H MET 26 H MET 26 8.652 2.936 -1.414 677 HA MET 26 HA MET 26 9.820 2.022 1.144 678 HB2 MET 26 HB2 MET 26 8.085 3.577 2.254 679 HB3 MET 26 HB3 MET 26 9.526 4.305 1.562 680 HG2 MET 26 HG2 MET 26 7.600 5.653 1.051 681 HG3 MET 26 HG3 MET 26 8.229 4.953 -0.440 682 HE1 MET 26 HE1 MET 26 6.032 3.145 2.315 683 HE2 MET 26 HE2 MET 26 4.422 3.536 1.721 684 HE3 MET 26 HE3 MET 26 5.485 4.820 2.291 685 H PHE 27 H PHE 27 6.910 2.024 -0.964 686 HA PHE 27 HA PHE 27 6.479 -0.673 0.095 687 HB2 PHE 27 HB2 PHE 27 4.196 -0.560 0.540 688 HB3 PHE 27 HB3 PHE 27 4.749 0.982 1.147 689 HD1 PHE 27 HD1 PHE 27 2.770 -0.681 -1.549 690 HD2 PHE 27 HD2 PHE 27 3.888 3.033 0.181 691 HE1 PHE 27 HE1 PHE 27 0.959 0.457 -2.775 692 HE2 PHE 27 HE2 PHE 27 2.138 4.179 -1.020 693 HZ PHE 27 HZ PHE 27 0.633 2.893 -2.526 694 H SER 28 H SER 28 5.564 -2.078 -1.208 695 HA SER 28 HA SER 28 4.746 -1.327 -3.946 696 HB2 SER 28 HB2 SER 28 6.973 -2.537 -4.043 697 HB3 SER 28 HB3 SER 28 6.223 -3.918 -3.242 698 HG SER 28 HG SER 28 5.627 -4.507 -5.162 699 H SER 29 H SER 29 2.784 -2.284 -4.524 700 HA SER 29 HA SER 29 1.275 -3.414 -2.255 701 HB2 SER 29 HB2 SER 29 0.367 -1.331 -3.201 702 HB3 SER 29 HB3 SER 29 0.373 -2.022 -4.823 703 HG SER 29 HG SER 29 -1.668 -2.012 -3.465 704 H GLU 30 H GLU 30 -0.581 -4.897 -3.104 705 HA GLU 30 HA GLU 30 0.507 -7.000 -4.847 706 HB2 GLU 30 HB2 GLU 30 -2.210 -7.058 -3.495 707 HB3 GLU 30 HB3 GLU 30 -1.200 -8.417 -3.985 708 HG2 GLU 30 HG2 GLU 30 0.385 -7.871 -2.171 709 HG3 GLU 30 HG3 GLU 30 -0.619 -6.509 -1.697 710 H GLY 31 H GLY 31 -1.082 -4.160 -5.306 711 HA2 GLY 31 HA2 GLY 31 -1.685 -3.274 -7.378 712 HA3 GLY 31 HA3 GLY 31 -1.863 -4.894 -8.023 713 H TYR 32 H TYR 32 -3.525 -5.273 -5.413 714 HA TYR 32 HA TYR 32 -5.580 -5.066 -4.533 715 HB2 TYR 32 HB2 TYR 32 -5.493 -2.620 -4.994 716 HB3 TYR 32 HB3 TYR 32 -6.147 -2.901 -6.605 717 HD1 TYR 32 HD1 TYR 32 -7.073 -4.111 -3.149 718 HD2 TYR 32 HD2 TYR 32 -8.388 -2.172 -6.727 719 HE1 TYR 32 HE1 TYR 32 -9.348 -3.972 -2.243 720 HE2 TYR 32 HE2 TYR 32 -10.665 -2.036 -5.815 721 HH TYR 32 HH TYR 32 -11.342 -2.602 -2.547 722 H LYS 33 H LYS 33 -5.870 -4.791 -8.112 723 HA LYS 33 HA LYS 33 -7.043 -7.435 -8.325 724 HB2 LYS 33 HB2 LYS 33 -9.040 -6.161 -7.697 725 HB3 LYS 33 HB3 LYS 33 -8.703 -4.949 -8.919 726 HG2 LYS 33 HG2 LYS 33 -10.537 -6.360 -9.633 727 HG3 LYS 33 HG3 LYS 33 -9.152 -6.606 -10.701 728 HD2 LYS 33 HD2 LYS 33 -8.601 -8.698 -9.497 729 HD3 LYS 33 HD3 LYS 33 -9.972 -8.441 -8.413 730 HE2 LYS 33 HE2 LYS 33 -11.526 -8.645 -10.314 731 HE3 LYS 33 HE3 LYS 33 -10.165 -8.852 -11.420 732 HZ1 LYS 33 HZ1 LYS 33 -10.921 -10.673 -9.209 733 HZ2 LYS 33 HZ2 LYS 33 -9.568 -10.868 -10.208 734 HZ3 LYS 33 HZ3 LYS 33 -11.129 -10.961 -10.863 735 H ALA 34 H ALA 34 -6.816 -4.344 -10.093 736 HA ALA 34 HA ALA 34 -5.251 -5.492 -12.272 737 HB1 ALA 34 HB1 ALA 34 -8.038 -4.349 -12.756 738 HB2 ALA 34 HB2 ALA 34 -7.563 -6.035 -12.958 739 HB3 ALA 34 HB3 ALA 34 -6.883 -4.797 -14.014 740 H LYS 35 H LYS 35 -5.376 -3.289 -14.111 741 HA LYS 35 HA LYS 35 -3.826 -1.406 -12.642 742 HB2 LYS 35 HB2 LYS 35 -3.525 -0.252 -14.802 743 HB3 LYS 35 HB3 LYS 35 -3.188 -1.963 -14.912 744 HG2 LYS 35 HG2 LYS 35 -4.346 -1.750 -16.864 745 HG3 LYS 35 HG3 LYS 35 -5.721 -2.036 -15.801 746 HD2 LYS 35 HD2 LYS 35 -6.061 0.452 -15.649 747 HD3 LYS 35 HD3 LYS 35 -4.739 0.673 -16.799 748 HE2 LYS 35 HE2 LYS 35 -7.331 -0.822 -17.346 749 HE3 LYS 35 HE3 LYS 35 -6.956 0.812 -17.894 750 HZ1 LYS 35 HZ1 LYS 35 -6.595 -0.835 -19.616 751 HZ2 LYS 35 HZ2 LYS 35 -5.464 -1.638 -18.656 752 HZ3 LYS 35 HZ3 LYS 35 -5.148 -0.072 -19.204 753 H ALA 36 H ALA 36 -7.034 -1.229 -14.248 754 HA ALA 36 HA ALA 36 -7.680 1.421 -13.669 755 HB1 ALA 36 HB1 ALA 36 -9.583 -0.948 -13.832 756 HB2 ALA 36 HB2 ALA 36 -9.013 0.019 -15.193 757 HB3 ALA 36 HB3 ALA 36 -10.045 0.752 -13.964 758 H SER 37 H SER 37 -8.156 -1.502 -11.760 759 HA SER 37 HA SER 37 -9.407 -0.367 -9.481 760 HB2 SER 37 HB2 SER 37 -7.700 -2.886 -9.595 761 HB3 SER 37 HB3 SER 37 -9.011 -2.527 -8.465 762 HG SER 37 HG SER 37 -10.452 -2.594 -10.226 763 H ALA 38 H ALA 38 -6.065 -0.686 -10.512 764 HA ALA 38 HA ALA 38 -4.793 -0.220 -7.998 765 HB1 ALA 38 HB1 ALA 38 -2.725 0.079 -9.294 766 HB2 ALA 38 HB2 ALA 38 -3.651 0.121 -10.797 767 HB3 ALA 38 HB3 ALA 38 -3.602 -1.355 -9.832 768 H ILE 39 H ILE 39 -5.431 1.967 -10.861 769 HA ILE 39 HA ILE 39 -4.625 4.366 -9.770 770 HB ILE 39 HB ILE 39 -6.830 3.739 -11.776 771 HG12 ILE 39 HG12 ILE 39 -5.274 5.107 -13.316 772 HG13 ILE 39 HG13 ILE 39 -4.099 5.090 -12.009 773 HG21 ILE 39 HG21 ILE 39 -6.123 6.543 -10.840 774 HG22 ILE 39 HG22 ILE 39 -7.672 5.725 -10.634 775 HG23 ILE 39 HG23 ILE 39 -7.122 6.167 -12.250 776 HD11 ILE 39 HD11 ILE 39 -3.994 2.644 -12.175 777 HD12 ILE 39 HD12 ILE 39 -3.587 3.447 -13.691 778 HD13 ILE 39 HD13 ILE 39 -5.170 2.698 -13.492 779 H HIS 40 H HIS 40 -7.881 2.864 -9.520 780 HA HIS 40 HA HIS 40 -9.105 4.896 -7.998 781 HB2 HIS 40 HB2 HIS 40 -9.778 1.936 -8.239 782 HB3 HIS 40 HB3 HIS 40 -10.784 3.073 -7.345 783 HD1 HIS 40 HD1 HIS 40 -11.060 5.408 -9.175 784 HD2 HIS 40 HD2 HIS 40 -11.047 1.510 -10.599 785 HE1 HIS 40 HE1 HIS 40 -12.241 5.493 -11.380 786 HE2 HIS 40 HE2 HIS 40 -11.972 3.183 -12.326 787 H ALA 41 H ALA 41 -7.260 2.013 -6.988 788 HA ALA 41 HA ALA 41 -7.542 2.263 -4.226 789 HB1 ALA 41 HB1 ALA 41 -5.144 1.237 -5.795 790 HB2 ALA 41 HB2 ALA 41 -6.557 0.285 -5.341 791 HB3 ALA 41 HB3 ALA 41 -5.486 0.917 -4.090 792 H ILE 42 H ILE 42 -4.947 3.524 -6.361 793 HA ILE 42 HA ILE 42 -3.552 5.051 -4.488 794 HB ILE 42 HB ILE 42 -3.865 5.495 -7.480 795 HG12 ILE 42 HG12 ILE 42 -1.544 4.181 -5.986 796 HG13 ILE 42 HG13 ILE 42 -2.892 3.265 -6.651 797 HG21 ILE 42 HG21 ILE 42 -1.729 6.792 -7.343 798 HG22 ILE 42 HG22 ILE 42 -1.811 6.702 -5.582 799 HG23 ILE 42 HG23 ILE 42 -3.057 7.572 -6.480 800 HD11 ILE 42 HD11 ILE 42 -1.029 4.994 -8.258 801 HD12 ILE 42 HD12 ILE 42 -2.324 3.958 -8.874 802 HD13 ILE 42 HD13 ILE 42 -0.925 3.246 -8.076 803 H GLU 43 H GLU 43 -6.569 5.732 -6.117 804 HA GLU 43 HA GLU 43 -6.608 8.549 -5.784 805 HB2 GLU 43 HB2 GLU 43 -8.829 6.545 -6.244 806 HB3 GLU 43 HB3 GLU 43 -9.161 8.258 -6.019 807 HG2 GLU 43 HG2 GLU 43 -7.719 8.770 -7.985 808 HG3 GLU 43 HG3 GLU 43 -7.494 7.036 -8.234 809 H SER 44 H SER 44 -7.557 5.821 -3.684 810 HA SER 44 HA SER 44 -8.673 7.160 -1.505 811 HB2 SER 44 HB2 SER 44 -6.773 4.799 -1.628 812 HB3 SER 44 HB3 SER 44 -7.413 5.360 -0.086 813 HG SER 44 HG SER 44 -8.625 3.986 -2.159 814 H ILE 45 H ILE 45 -5.275 6.922 -2.486 815 HA ILE 45 HA ILE 45 -4.224 7.926 -0.031 816 HB ILE 45 HB ILE 45 -2.549 8.167 -2.573 817 HG12 ILE 45 HG12 ILE 45 -3.671 5.847 -2.628 818 HG13 ILE 45 HG13 ILE 45 -1.914 5.823 -2.576 819 HG21 ILE 45 HG21 ILE 45 -1.999 7.384 0.317 820 HG22 ILE 45 HG22 ILE 45 -1.653 8.947 -0.444 821 HG23 ILE 45 HG23 ILE 45 -0.763 7.512 -0.954 822 HD11 ILE 45 HD11 ILE 45 -2.839 4.119 -1.160 823 HD12 ILE 45 HD12 ILE 45 -3.780 5.314 -0.274 824 HD13 ILE 45 HD13 ILE 45 -2.019 5.324 -0.171 825 H LYS 46 H LYS 46 -4.918 9.284 -3.242 826 HA LYS 46 HA LYS 46 -3.899 11.844 -2.937 827 HB2 LYS 46 HB2 LYS 46 -6.360 11.302 -4.629 828 HB3 LYS 46 HB3 LYS 46 -5.047 12.431 -4.931 829 HG2 LYS 46 HG2 LYS 46 -5.107 9.443 -5.345 830 HG3 LYS 46 HG3 LYS 46 -4.772 10.712 -6.522 831 HD2 LYS 46 HD2 LYS 46 -2.950 9.873 -4.224 832 HD3 LYS 46 HD3 LYS 46 -2.744 9.427 -5.917 833 HE2 LYS 46 HE2 LYS 46 -2.718 12.283 -4.926 834 HE3 LYS 46 HE3 LYS 46 -1.296 11.291 -5.112 835 HZ1 LYS 46 HZ1 LYS 46 -1.777 11.068 -7.458 836 HZ2 LYS 46 HZ2 LYS 46 -1.684 12.704 -7.035 837 HZ3 LYS 46 HZ3 LYS 46 -3.189 11.981 -7.280 838 H ARG 47 H ARG 47 -6.772 10.492 -1.706 839 HA ARG 47 HA ARG 47 -8.445 12.761 -1.459 840 HB2 ARG 47 HB2 ARG 47 -8.422 10.269 0.302 841 HB3 ARG 47 HB3 ARG 47 -9.711 11.465 0.272 842 HG2 ARG 47 HG2 ARG 47 -8.916 9.574 -1.952 843 HG3 ARG 47 HG3 ARG 47 -10.387 9.519 -0.989 844 HD2 ARG 47 HD2 ARG 47 -11.123 11.650 -2.002 845 HD3 ARG 47 HD3 ARG 47 -9.642 11.710 -2.968 846 HE ARG 47 HE ARG 47 -11.825 9.729 -3.242 847 HH11 ARG 47 HH11 ARG 47 -9.031 11.318 -4.672 848 HH12 ARG 47 HH12 ARG 47 -9.265 10.584 -6.226 849 HH21 ARG 47 HH21 ARG 47 -12.099 8.766 -5.277 850 HH22 ARG 47 HH22 ARG 47 -10.989 9.121 -6.567 851 H ASN 48 H ASN 48 -6.547 11.177 1.169 852 HA ASN 48 HA ASN 48 -5.902 13.634 2.511 853 HB2 ASN 48 HB2 ASN 48 -8.444 13.375 2.875 854 HB3 ASN 48 HB3 ASN 48 -8.076 11.977 3.870 855 HD21 ASN 48 HD21 ASN 48 -7.895 15.453 3.621 856 HD22 ASN 48 HD22 ASN 48 -7.536 15.756 5.283 857 H SER 49 H SER 49 -4.803 10.900 1.731 858 HA SER 49 HA SER 49 -4.473 9.249 4.021 859 HB2 SER 49 HB2 SER 49 -4.264 8.478 1.685 860 HB3 SER 49 HB3 SER 49 -2.763 9.384 1.523 861 HG SER 49 HG SER 49 -3.113 6.941 2.443 862 H ALA 50 H ALA 50 -2.476 11.861 2.689 863 HA ALA 50 HA ALA 50 -0.224 11.630 4.328 864 HB1 ALA 50 HB1 ALA 50 0.197 13.993 3.804 865 HB2 ALA 50 HB2 ALA 50 -1.462 14.179 3.230 866 HB3 ALA 50 HB3 ALA 50 -0.346 13.122 2.367 867 H GLY 51 H GLY 51 -3.422 12.900 5.009 868 HA2 GLY 51 HA2 GLY 51 -2.652 13.773 7.730 869 HA3 GLY 51 HA3 GLY 51 -4.129 14.198 6.878 870 H ALA 52 H ALA 52 -3.852 10.995 6.244 871 HA ALA 52 HA ALA 52 -5.797 10.054 8.045 872 HB1 ALA 52 HB1 ALA 52 -3.766 8.418 6.469 873 HB2 ALA 52 HB2 ALA 52 -5.341 8.960 5.876 874 HB3 ALA 52 HB3 ALA 52 -5.256 7.799 7.205 875 H ASP 53 H ASP 53 -5.507 8.271 9.662 876 HA ASP 53 HA ASP 53 -3.282 8.867 11.465 877 HB2 ASP 53 HB2 ASP 53 -5.641 8.695 12.318 878 HB3 ASP 53 HB3 ASP 53 -5.649 6.991 11.874 879 H THR 54 H THR 54 -1.923 7.150 12.347 880 HA THR 54 HA THR 54 -1.658 4.733 10.638 881 HB THR 54 HB THR 54 0.539 6.245 12.128 882 HG1 THR 54 HG1 THR 54 -0.129 6.154 9.349 883 HG21 THR 54 HG21 THR 54 2.105 4.852 10.767 884 HG22 THR 54 HG22 THR 54 0.728 3.935 10.150 885 HG23 THR 54 HG23 THR 54 1.130 3.865 11.867 886 H VAL 55 H VAL 55 -2.653 3.158 11.750 887 HA VAL 55 HA VAL 55 -2.427 2.893 14.679 888 HB VAL 55 HB VAL 55 -4.238 1.393 12.726 889 HG11 VAL 55 HG11 VAL 55 -4.288 1.413 15.770 890 HG12 VAL 55 HG12 VAL 55 -3.833 0.055 14.739 891 HG13 VAL 55 HG13 VAL 55 -5.493 0.645 14.731 892 HG21 VAL 55 HG21 VAL 55 -4.921 3.711 14.579 893 HG22 VAL 55 HG22 VAL 55 -6.078 2.797 13.608 894 HG23 VAL 55 HG23 VAL 55 -4.839 3.768 12.815 895 H ASP 56 H ASP 56 -1.194 1.322 15.575 896 HA ASP 56 HA ASP 56 -0.074 -0.858 13.926 897 HB2 ASP 56 HB2 ASP 56 1.715 0.237 15.046 898 HB3 ASP 56 HB3 ASP 56 0.800 0.400 16.545 899 H LEU 57 H LEU 57 -1.454 -2.511 13.897 900 HA LEU 57 HA LEU 57 -3.089 -3.338 16.107 901 HB2 LEU 57 HB2 LEU 57 -2.590 -4.550 13.360 902 HB3 LEU 57 HB3 LEU 57 -3.687 -5.265 14.529 903 HG LEU 57 HG LEU 57 -4.978 -4.021 12.897 904 HD11 LEU 57 HD11 LEU 57 -5.830 -3.982 15.188 905 HD12 LEU 57 HD12 LEU 57 -6.243 -2.498 14.327 906 HD13 LEU 57 HD13 LEU 57 -4.931 -2.496 15.513 907 HD21 LEU 57 HD21 LEU 57 -3.262 -2.466 12.116 908 HD22 LEU 57 HD22 LEU 57 -3.369 -1.566 13.631 909 HD23 LEU 57 HD23 LEU 57 -4.751 -1.621 12.534 910 H THR 58 H THR 58 0.136 -4.278 14.954 911 HA THR 58 HA THR 58 -0.176 -7.045 15.849 912 HB THR 58 HB THR 58 0.947 -6.720 13.733 913 HG1 THR 58 HG1 THR 58 2.739 -7.697 15.711 914 HG21 THR 58 HG21 THR 58 3.159 -5.704 13.510 915 HG22 THR 58 HG22 THR 58 3.137 -5.247 15.216 916 HG23 THR 58 HG23 THR 58 1.985 -4.521 14.093 917 H THR 59 H THR 59 0.505 -4.309 17.538 918 HA THR 59 HA THR 59 1.665 -3.609 19.305 919 HB THR 59 HB THR 59 1.595 -5.115 21.297 920 HG1 THR 59 HG1 THR 59 0.698 -7.055 19.406 921 HG21 THR 59 HG21 THR 59 -0.856 -5.435 21.342 922 HG22 THR 59 HG22 THR 59 -0.929 -5.203 19.593 923 HG23 THR 59 HG23 THR 59 -0.439 -3.870 20.640 924 H MET 60 H MET 60 3.049 -6.928 19.097 925 HA MET 60 HA MET 60 5.605 -6.552 19.951 926 HB2 MET 60 HB2 MET 60 4.691 -8.764 19.358 927 HB3 MET 60 HB3 MET 60 4.688 -8.333 17.652 928 HG2 MET 60 HG2 MET 60 7.208 -8.110 17.811 929 HG3 MET 60 HG3 MET 60 7.094 -8.794 19.431 930 HE1 MET 60 HE1 MET 60 5.752 -12.422 18.646 931 HE2 MET 60 HE2 MET 60 4.790 -11.007 19.070 932 HE3 MET 60 HE3 MET 60 6.307 -11.329 19.913 933 H THR 61 H THR 61 7.291 -5.398 19.317 934 HA THR 61 HA THR 61 7.374 -3.938 16.819 935 HB THR 61 HB THR 61 9.499 -2.981 17.793 936 HG1 THR 61 HG1 THR 61 10.365 -4.320 19.206 937 HG21 THR 61 HG21 THR 61 7.093 -2.889 19.659 938 HG22 THR 61 HG22 THR 61 7.339 -1.864 18.243 939 HG23 THR 61 HG23 THR 61 8.423 -1.725 19.627 940 H ALA 62 H ALA 62 9.051 -4.084 15.271 941 HA ALA 62 HA ALA 62 10.861 -6.419 15.337 942 HB1 ALA 62 HB1 ALA 62 10.289 -7.000 13.014 943 HB2 ALA 62 HB2 ALA 62 9.058 -5.737 12.985 944 HB3 ALA 62 HB3 ALA 62 8.866 -7.122 14.060 Start of MODEL 7 1 H MET 1 H MET 1 -12.902 7.298 10.795 2 HA MET 1 HA MET 1 -12.157 8.451 8.832 3 HB2 MET 1 HB2 MET 1 -10.903 10.253 10.054 4 HB3 MET 1 HB3 MET 1 -9.676 9.084 10.503 5 HG2 MET 1 HG2 MET 1 -9.296 8.746 7.993 6 HG3 MET 1 HG3 MET 1 -10.281 10.184 7.752 7 HE1 MET 1 HE1 MET 1 -9.545 12.579 9.117 8 HE2 MET 1 HE2 MET 1 -7.956 12.771 9.858 9 HE3 MET 1 HE3 MET 1 -9.155 11.716 10.606 10 H TYR 2 H TYR 2 -10.818 7.303 7.305 11 HA TYR 2 HA TYR 2 -9.898 4.698 7.965 12 HB2 TYR 2 HB2 TYR 2 -8.789 4.842 5.632 13 HB3 TYR 2 HB3 TYR 2 -10.538 4.916 5.730 14 HD1 TYR 2 HD1 TYR 2 -7.681 7.419 5.818 15 HD2 TYR 2 HD2 TYR 2 -11.512 6.401 4.223 16 HE1 TYR 2 HE1 TYR 2 -7.669 9.465 4.457 17 HE2 TYR 2 HE2 TYR 2 -11.495 8.437 2.870 18 HH TYR 2 HH TYR 2 -10.432 10.645 2.898 19 H LYS 3 H LYS 3 -7.582 4.018 7.391 20 HA LYS 3 HA LYS 3 -5.448 5.679 8.188 21 HB2 LYS 3 HB2 LYS 3 -5.064 4.551 10.481 22 HB3 LYS 3 HB3 LYS 3 -6.286 5.797 10.390 23 HG2 LYS 3 HG2 LYS 3 -7.090 4.063 11.823 24 HG3 LYS 3 HG3 LYS 3 -8.052 4.019 10.345 25 HD2 LYS 3 HD2 LYS 3 -6.940 2.035 9.576 26 HD3 LYS 3 HD3 LYS 3 -5.671 2.183 10.794 27 HE2 LYS 3 HE2 LYS 3 -7.278 0.401 11.348 28 HE3 LYS 3 HE3 LYS 3 -7.271 1.670 12.570 29 HZ1 LYS 3 HZ1 LYS 3 -9.263 1.365 10.404 30 HZ2 LYS 3 HZ2 LYS 3 -9.276 2.562 11.590 31 HZ3 LYS 3 HZ3 LYS 3 -9.496 0.949 12.024 32 H PHE 4 H PHE 4 -3.616 4.156 9.143 33 HA PHE 4 HA PHE 4 -3.237 1.982 7.192 34 HB2 PHE 4 HB2 PHE 4 -1.233 3.551 8.876 35 HB3 PHE 4 HB3 PHE 4 -0.803 2.235 7.785 36 HD1 PHE 4 HD1 PHE 4 -1.990 5.738 7.976 37 HD2 PHE 4 HD2 PHE 4 -0.810 2.542 5.383 38 HE1 PHE 4 HE1 PHE 4 -1.824 7.311 6.094 39 HE2 PHE 4 HE2 PHE 4 -0.638 4.127 3.518 40 HZ PHE 4 HZ PHE 4 -1.144 6.503 3.873 41 H GLU 5 H GLU 5 -3.674 0.045 7.974 42 HA GLU 5 HA GLU 5 -3.340 -0.613 10.824 43 HB2 GLU 5 HB2 GLU 5 -4.537 -2.317 8.591 44 HB3 GLU 5 HB3 GLU 5 -4.529 -2.713 10.306 45 HG2 GLU 5 HG2 GLU 5 -5.896 -0.601 10.656 46 HG3 GLU 5 HG3 GLU 5 -6.070 -0.524 8.905 47 H ILE 6 H ILE 6 -1.347 -1.311 11.375 48 HA ILE 6 HA ILE 6 0.491 -2.375 9.341 49 HB ILE 6 HB ILE 6 1.109 -1.565 12.218 50 HG12 ILE 6 HG12 ILE 6 1.595 0.152 9.748 51 HG13 ILE 6 HG13 ILE 6 0.172 0.328 10.768 52 HG21 ILE 6 HG21 ILE 6 2.780 -3.090 11.210 53 HG22 ILE 6 HG22 ILE 6 3.466 -1.480 11.451 54 HG23 ILE 6 HG23 ILE 6 2.969 -1.993 9.836 55 HD11 ILE 6 HD11 ILE 6 3.017 0.660 11.677 56 HD12 ILE 6 HD12 ILE 6 1.570 0.904 12.659 57 HD13 ILE 6 HD13 ILE 6 1.898 1.957 11.285 58 H TYR 7 H TYR 7 0.515 -4.512 9.242 59 HA TYR 7 HA TYR 7 0.401 -6.126 11.692 60 HB2 TYR 7 HB2 TYR 7 -1.253 -7.616 10.847 61 HB3 TYR 7 HB3 TYR 7 -1.905 -6.002 10.611 62 HD1 TYR 7 HD1 TYR 7 -1.715 -4.951 8.236 63 HD2 TYR 7 HD2 TYR 7 -1.048 -9.107 8.999 64 HE1 TYR 7 HE1 TYR 7 -2.072 -5.456 5.846 65 HE2 TYR 7 HE2 TYR 7 -1.407 -9.603 6.618 66 HH TYR 7 HH TYR 7 -2.565 -8.610 4.694 67 H GLN 8 H GLN 8 1.264 -8.311 11.304 68 HA GLN 8 HA GLN 8 3.142 -8.386 9.006 69 HB2 GLN 8 HB2 GLN 8 4.617 -9.818 10.109 70 HB3 GLN 8 HB3 GLN 8 4.092 -8.789 11.436 71 HG2 GLN 8 HG2 GLN 8 2.644 -10.519 12.284 72 HG3 GLN 8 HG3 GLN 8 2.852 -11.482 10.848 73 HE21 GLN 8 HE21 GLN 8 5.789 -10.110 11.939 74 HE22 GLN 8 HE22 GLN 8 6.417 -11.496 12.731 75 H ASP 9 H ASP 9 3.002 -10.115 7.618 76 HA ASP 9 HA ASP 9 0.557 -11.621 7.528 77 HB2 ASP 9 HB2 ASP 9 1.654 -10.726 5.459 78 HB3 ASP 9 HB3 ASP 9 3.063 -11.734 5.770 79 H LYS 10 H LYS 10 0.575 -14.003 7.396 80 HA LYS 10 HA LYS 10 1.620 -15.388 9.509 81 HB2 LYS 10 HB2 LYS 10 -0.252 -16.160 8.154 82 HB3 LYS 10 HB3 LYS 10 0.791 -16.419 6.768 83 HG2 LYS 10 HG2 LYS 10 1.410 -17.974 9.263 84 HG3 LYS 10 HG3 LYS 10 -0.055 -18.410 8.392 85 HD2 LYS 10 HD2 LYS 10 2.755 -18.375 7.219 86 HD3 LYS 10 HD3 LYS 10 1.861 -19.815 7.719 87 HE2 LYS 10 HE2 LYS 10 0.136 -19.309 5.993 88 HE3 LYS 10 HE3 LYS 10 1.069 -17.903 5.484 89 HZ1 LYS 10 HZ1 LYS 10 1.948 -20.729 5.342 90 HZ2 LYS 10 HZ2 LYS 10 2.894 -19.399 4.903 91 HZ3 LYS 10 HZ3 LYS 10 1.482 -19.758 4.039 92 H ALA 11 H ALA 11 3.108 -14.842 6.414 93 HA ALA 11 HA ALA 11 5.421 -16.540 6.741 94 HB1 ALA 11 HB1 ALA 11 4.538 -15.937 4.528 95 HB2 ALA 11 HB2 ALA 11 6.225 -15.444 4.682 96 HB3 ALA 11 HB3 ALA 11 4.936 -14.242 4.814 97 H GLY 12 H GLY 12 4.730 -14.084 8.675 98 HA2 GLY 12 HA2 GLY 12 5.828 -12.659 10.040 99 HA3 GLY 12 HA3 GLY 12 7.325 -13.377 9.495 100 H GLU 13 H GLU 13 4.975 -11.803 7.369 101 HA GLU 13 HA GLU 13 7.125 -9.966 6.464 102 HB2 GLU 13 HB2 GLU 13 4.459 -10.658 5.143 103 HB3 GLU 13 HB3 GLU 13 5.684 -9.588 4.462 104 HG2 GLU 13 HG2 GLU 13 7.268 -11.492 4.363 105 HG3 GLU 13 HG3 GLU 13 6.018 -12.553 5.014 106 H TYR 14 H TYR 14 6.999 -8.409 8.141 107 HA TYR 14 HA TYR 14 4.775 -7.010 8.980 108 HB2 TYR 14 HB2 TYR 14 7.641 -6.076 8.705 109 HB3 TYR 14 HB3 TYR 14 6.388 -5.096 9.460 110 HD1 TYR 14 HD1 TYR 14 5.132 -6.086 11.477 111 HD2 TYR 14 HD2 TYR 14 8.800 -7.719 10.019 112 HE1 TYR 14 HE1 TYR 14 5.488 -7.217 13.631 113 HE2 TYR 14 HE2 TYR 14 9.152 -8.849 12.171 114 HH TYR 14 HH TYR 14 6.742 -9.214 14.492 115 H ARG 15 H ARG 15 3.531 -5.607 8.176 116 HA ARG 15 HA ARG 15 3.825 -4.407 5.499 117 HB2 ARG 15 HB2 ARG 15 1.572 -6.268 6.385 118 HB3 ARG 15 HB3 ARG 15 1.485 -5.261 4.940 119 HG2 ARG 15 HG2 ARG 15 3.154 -6.504 3.832 120 HG3 ARG 15 HG3 ARG 15 3.683 -7.286 5.322 121 HD2 ARG 15 HD2 ARG 15 1.672 -8.590 5.442 122 HD3 ARG 15 HD3 ARG 15 0.950 -7.693 4.106 123 HE ARG 15 HE ARG 15 3.391 -9.329 3.753 124 HH11 ARG 15 HH11 ARG 15 0.127 -8.552 2.779 125 HH12 ARG 15 HH12 ARG 15 0.159 -9.602 1.403 126 HH21 ARG 15 HH21 ARG 15 3.441 -10.695 1.943 127 HH22 ARG 15 HH22 ARG 15 2.038 -10.813 0.926 128 H PHE 16 H PHE 16 2.028 -2.936 5.031 129 HA PHE 16 HA PHE 16 0.176 -2.316 7.195 130 HB2 PHE 16 HB2 PHE 16 0.422 0.137 6.800 131 HB3 PHE 16 HB3 PHE 16 1.868 -0.588 7.480 132 HD1 PHE 16 HD1 PHE 16 3.888 -0.963 6.000 133 HD2 PHE 16 HD2 PHE 16 0.500 1.293 4.678 134 HE1 PHE 16 HE1 PHE 16 5.254 0.069 4.235 135 HE2 PHE 16 HE2 PHE 16 1.880 2.322 2.919 136 HZ PHE 16 HZ PHE 16 4.254 1.714 2.700 137 H ARG 17 H ARG 17 -1.810 -1.827 6.463 138 HA ARG 17 HA ARG 17 -2.302 -1.783 3.538 139 HB2 ARG 17 HB2 ARG 17 -4.429 -2.930 3.968 140 HB3 ARG 17 HB3 ARG 17 -3.122 -3.877 4.664 141 HG2 ARG 17 HG2 ARG 17 -3.702 -2.735 6.897 142 HG3 ARG 17 HG3 ARG 17 -5.180 -2.191 6.109 143 HD2 ARG 17 HD2 ARG 17 -4.358 -5.102 6.408 144 HD3 ARG 17 HD3 ARG 17 -5.445 -4.252 7.505 145 HE ARG 17 HE ARG 17 -6.317 -4.178 4.763 146 HH11 ARG 17 HH11 ARG 17 -6.411 -6.069 7.725 147 HH12 ARG 17 HH12 ARG 17 -7.820 -6.958 7.247 148 HH21 ARG 17 HH21 ARG 17 -8.167 -5.398 4.162 149 HH22 ARG 17 HH22 ARG 17 -8.799 -6.588 5.254 150 H PHE 18 H PHE 18 -3.889 -0.311 2.849 151 HA PHE 18 HA PHE 18 -4.554 1.827 4.815 152 HB2 PHE 18 HB2 PHE 18 -3.050 2.605 2.955 153 HB3 PHE 18 HB3 PHE 18 -4.294 2.157 1.796 154 HD1 PHE 18 HD1 PHE 18 -4.702 3.881 5.105 155 HD2 PHE 18 HD2 PHE 18 -4.881 4.240 0.849 156 HE1 PHE 18 HE1 PHE 18 -5.646 6.131 5.328 157 HE2 PHE 18 HE2 PHE 18 -5.802 6.503 1.076 158 HZ PHE 18 HZ PHE 18 -6.214 7.442 3.319 159 H LYS 19 H LYS 19 -6.579 2.286 5.151 160 HA LYS 19 HA LYS 19 -8.645 0.518 3.992 161 HB2 LYS 19 HB2 LYS 19 -8.612 2.170 6.573 162 HB3 LYS 19 HB3 LYS 19 -9.883 1.049 6.085 163 HG2 LYS 19 HG2 LYS 19 -6.995 0.308 6.702 164 HG3 LYS 19 HG3 LYS 19 -8.385 0.021 7.758 165 HD2 LYS 19 HD2 LYS 19 -8.137 -1.153 4.951 166 HD3 LYS 19 HD3 LYS 19 -7.606 -2.000 6.399 167 HE2 LYS 19 HE2 LYS 19 -10.441 -0.981 6.237 168 HE3 LYS 19 HE3 LYS 19 -10.008 -2.472 5.415 169 HZ1 LYS 19 HZ1 LYS 19 -10.853 -2.878 7.640 170 HZ2 LYS 19 HZ2 LYS 19 -9.623 -1.922 8.301 171 HZ3 LYS 19 HZ3 LYS 19 -9.236 -3.363 7.518 172 H ALA 20 H ALA 20 -10.908 1.697 4.333 173 HA ALA 20 HA ALA 20 -10.895 4.460 3.290 174 HB1 ALA 20 HB1 ALA 20 -12.590 2.204 2.159 175 HB2 ALA 20 HB2 ALA 20 -11.208 2.948 1.358 176 HB3 ALA 20 HB3 ALA 20 -12.659 3.901 1.668 177 H SER 21 H SER 21 -12.983 5.559 3.671 178 HA SER 21 HA SER 21 -13.932 5.445 6.242 179 HB2 SER 21 HB2 SER 21 -15.823 6.902 5.436 180 HB3 SER 21 HB3 SER 21 -14.233 7.418 4.879 181 HG SER 21 HG SER 21 -15.851 7.436 3.230 182 H ASN 22 H ASN 22 -15.158 3.607 3.491 183 HA ASN 22 HA ASN 22 -17.557 2.655 4.840 184 HB2 ASN 22 HB2 ASN 22 -17.600 3.063 2.426 185 HB3 ASN 22 HB3 ASN 22 -16.286 1.926 2.168 186 HD21 ASN 22 HD21 ASN 22 -16.744 -0.275 2.110 187 HD22 ASN 22 HD22 ASN 22 -18.355 -0.901 2.106 188 H GLY 23 H GLY 23 -14.268 1.760 4.819 189 HA2 GLY 23 HA2 GLY 23 -13.212 0.096 6.016 190 HA3 GLY 23 HA3 GLY 23 -14.745 -0.717 6.257 191 H GLU 24 H GLU 24 -12.921 0.270 3.385 192 HA GLU 24 HA GLU 24 -12.673 -2.550 2.528 193 HB2 GLU 24 HB2 GLU 24 -12.954 -1.722 0.138 194 HB3 GLU 24 HB3 GLU 24 -14.407 -1.679 1.125 195 HG2 GLU 24 HG2 GLU 24 -13.957 0.789 1.508 196 HG3 GLU 24 HG3 GLU 24 -12.687 0.670 0.292 197 H THR 25 H THR 25 -10.647 -3.119 2.030 198 HA THR 25 HA THR 25 -8.500 -1.163 2.345 199 HB THR 25 HB THR 25 -8.358 -4.174 1.883 200 HG1 THR 25 HG1 THR 25 -9.439 -3.505 3.823 201 HG21 THR 25 HG21 THR 25 -6.227 -3.044 1.344 202 HG22 THR 25 HG22 THR 25 -6.084 -4.013 2.812 203 HG23 THR 25 HG23 THR 25 -6.249 -2.261 2.928 204 H MET 26 H MET 26 -7.368 -0.382 0.736 205 HA MET 26 HA MET 26 -8.038 -1.179 -2.034 206 HB2 MET 26 HB2 MET 26 -7.165 1.256 -2.514 207 HB3 MET 26 HB3 MET 26 -8.785 1.000 -1.892 208 HG2 MET 26 HG2 MET 26 -7.719 2.872 -0.778 209 HG3 MET 26 HG3 MET 26 -8.010 1.569 0.375 210 HE1 MET 26 HE1 MET 26 -5.168 1.891 -2.334 211 HE2 MET 26 HE2 MET 26 -3.958 2.733 -1.372 212 HE3 MET 26 HE3 MET 26 -5.499 3.513 -1.726 213 H PHE 27 H PHE 27 -5.320 -0.908 0.184 214 HA PHE 27 HA PHE 27 -4.030 -2.792 -1.591 215 HB2 PHE 27 HB2 PHE 27 -1.934 -1.779 -1.980 216 HB3 PHE 27 HB3 PHE 27 -3.054 -0.461 -2.259 217 HD1 PHE 27 HD1 PHE 27 -3.178 1.388 -0.624 218 HD2 PHE 27 HD2 PHE 27 -0.298 -1.684 -0.131 219 HE1 PHE 27 HE1 PHE 27 -1.984 2.824 0.933 220 HE2 PHE 27 HE2 PHE 27 0.935 -0.257 1.460 221 HZ PHE 27 HZ PHE 27 0.102 2.008 1.994 222 H SER 28 H SER 28 -2.261 -3.796 -0.695 223 HA SER 28 HA SER 28 -1.588 -3.378 2.140 224 HB2 SER 28 HB2 SER 28 -3.126 -5.359 2.097 225 HB3 SER 28 HB3 SER 28 -2.025 -6.171 0.983 226 HG SER 28 HG SER 28 -1.919 -6.273 3.558 227 H SER 29 H SER 29 0.630 -3.913 2.595 228 HA SER 29 HA SER 29 2.338 -3.441 0.294 229 HB2 SER 29 HB2 SER 29 3.053 -3.785 3.248 230 HB3 SER 29 HB3 SER 29 4.120 -3.164 1.984 231 HG SER 29 HG SER 29 1.657 -1.895 2.320 232 H GLU 30 H GLU 30 4.229 -4.770 -0.126 233 HA GLU 30 HA GLU 30 3.838 -7.555 -0.297 234 HB2 GLU 30 HB2 GLU 30 6.086 -7.659 -1.175 235 HB3 GLU 30 HB3 GLU 30 5.366 -6.169 -1.760 236 HG2 GLU 30 HG2 GLU 30 7.317 -6.318 0.572 237 HG3 GLU 30 HG3 GLU 30 7.789 -6.012 -1.090 238 H GLY 31 H GLY 31 5.307 -5.548 2.087 239 HA2 GLY 31 HA2 GLY 31 5.562 -6.322 4.420 240 HA3 GLY 31 HA3 GLY 31 6.154 -7.856 3.789 241 H TYR 32 H TYR 32 6.816 -4.526 2.832 242 HA TYR 32 HA TYR 32 9.017 -4.041 2.096 243 HB2 TYR 32 HB2 TYR 32 7.642 -2.274 3.055 244 HB3 TYR 32 HB3 TYR 32 8.245 -2.645 4.666 245 HD1 TYR 32 HD1 TYR 32 9.777 -1.954 1.279 246 HD2 TYR 32 HD2 TYR 32 9.787 -1.057 5.453 247 HE1 TYR 32 HE1 TYR 32 11.611 -0.347 0.930 248 HE2 TYR 32 HE2 TYR 32 11.621 0.544 5.102 249 HH TYR 32 HH TYR 32 13.450 0.917 3.460 250 H LYS 33 H LYS 33 9.300 -4.507 5.677 251 HA LYS 33 HA LYS 33 11.708 -6.071 5.382 252 HB2 LYS 33 HB2 LYS 33 12.608 -3.794 4.890 253 HB3 LYS 33 HB3 LYS 33 12.013 -3.228 6.442 254 HG2 LYS 33 HG2 LYS 33 14.388 -3.621 6.624 255 HG3 LYS 33 HG3 LYS 33 13.542 -4.827 7.595 256 HD2 LYS 33 HD2 LYS 33 15.380 -5.889 6.380 257 HD3 LYS 33 HD3 LYS 33 13.839 -6.491 5.763 258 HE2 LYS 33 HE2 LYS 33 14.002 -5.002 3.826 259 HE3 LYS 33 HE3 LYS 33 15.495 -4.301 4.451 260 HZ1 LYS 33 HZ1 LYS 33 16.535 -6.487 4.237 261 HZ2 LYS 33 HZ2 LYS 33 15.953 -5.929 2.749 262 HZ3 LYS 33 HZ3 LYS 33 15.105 -7.116 3.597 263 H ALA 34 H ALA 34 10.401 -3.749 7.773 264 HA ALA 34 HA ALA 34 9.976 -5.834 9.778 265 HB1 ALA 34 HB1 ALA 34 11.457 -4.771 11.441 266 HB2 ALA 34 HB2 ALA 34 11.973 -3.583 10.240 267 HB3 ALA 34 HB3 ALA 34 12.381 -5.284 10.024 268 H LYS 35 H LYS 35 9.229 -4.538 11.984 269 HA LYS 35 HA LYS 35 6.882 -3.142 11.264 270 HB2 LYS 35 HB2 LYS 35 6.979 -4.560 13.235 271 HB3 LYS 35 HB3 LYS 35 8.313 -3.642 13.910 272 HG2 LYS 35 HG2 LYS 35 5.704 -2.218 13.454 273 HG3 LYS 35 HG3 LYS 35 5.800 -3.370 14.783 274 HD2 LYS 35 HD2 LYS 35 7.748 -2.099 15.709 275 HD3 LYS 35 HD3 LYS 35 7.577 -0.928 14.400 276 HE2 LYS 35 HE2 LYS 35 5.296 -0.380 15.215 277 HE3 LYS 35 HE3 LYS 35 5.512 -1.516 16.548 278 HZ1 LYS 35 HZ1 LYS 35 5.941 0.774 17.205 279 HZ2 LYS 35 HZ2 LYS 35 7.182 0.890 16.065 280 HZ3 LYS 35 HZ3 LYS 35 7.327 -0.181 17.363 281 H ALA 36 H ALA 36 9.932 -2.112 12.834 282 HA ALA 36 HA ALA 36 9.485 0.624 13.066 283 HB1 ALA 36 HB1 ALA 36 11.947 0.869 13.103 284 HB2 ALA 36 HB2 ALA 36 12.120 -0.770 12.467 285 HB3 ALA 36 HB3 ALA 36 11.420 -0.513 14.065 286 H SER 37 H SER 37 10.725 -1.216 10.298 287 HA SER 37 HA SER 37 11.193 0.966 8.539 288 HB2 SER 37 HB2 SER 37 10.688 -1.972 7.911 289 HB3 SER 37 HB3 SER 37 11.405 -0.784 6.819 290 HG SER 37 HG SER 37 12.908 -0.554 8.822 291 H ALA 38 H ALA 38 8.342 -0.955 9.320 292 HA ALA 38 HA ALA 38 6.770 -0.306 7.036 293 HB1 ALA 38 HB1 ALA 38 6.264 -2.273 8.422 294 HB2 ALA 38 HB2 ALA 38 4.864 -1.208 8.306 295 HB3 ALA 38 HB3 ALA 38 5.838 -1.228 9.779 296 H ILE 39 H ILE 39 6.755 1.027 10.421 297 HA ILE 39 HA ILE 39 5.006 3.150 10.000 298 HB ILE 39 HB ILE 39 7.342 2.892 11.952 299 HG12 ILE 39 HG12 ILE 39 5.427 2.869 13.661 300 HG13 ILE 39 HG13 ILE 39 4.307 2.796 12.308 301 HG21 ILE 39 HG21 ILE 39 6.515 4.926 13.143 302 HG22 ILE 39 HG22 ILE 39 5.401 5.234 11.808 303 HG23 ILE 39 HG23 ILE 39 7.144 5.295 11.536 304 HD11 ILE 39 HD11 ILE 39 5.268 0.633 11.666 305 HD12 ILE 39 HD12 ILE 39 4.623 0.636 13.308 306 HD13 ILE 39 HD13 ILE 39 6.365 0.728 13.046 307 H HIS 40 H HIS 40 8.564 3.070 9.580 308 HA HIS 40 HA HIS 40 9.030 5.726 8.849 309 HB2 HIS 40 HB2 HIS 40 10.478 3.137 8.300 310 HB3 HIS 40 HB3 HIS 40 10.997 4.574 7.428 311 HD1 HIS 40 HD1 HIS 40 13.088 5.278 8.523 312 HD2 HIS 40 HD2 HIS 40 10.171 4.265 11.302 313 HE1 HIS 40 HE1 HIS 40 14.075 5.826 10.757 314 HE2 HIS 40 HE2 HIS 40 12.297 5.211 12.429 315 H ALA 41 H ALA 41 8.096 2.968 6.818 316 HA ALA 41 HA ALA 41 8.037 4.243 4.339 317 HB1 ALA 41 HB1 ALA 41 6.350 1.929 5.363 318 HB2 ALA 41 HB2 ALA 41 7.951 1.797 4.635 319 HB3 ALA 41 HB3 ALA 41 6.588 2.360 3.668 320 H ILE 42 H ILE 42 5.391 3.701 6.709 321 HA ILE 42 HA ILE 42 3.390 5.151 5.395 322 HB ILE 42 HB ILE 42 3.731 4.768 8.393 323 HG12 ILE 42 HG12 ILE 42 2.026 3.127 6.462 324 HG13 ILE 42 HG13 ILE 42 3.674 2.678 6.887 325 HG21 ILE 42 HG21 ILE 42 2.101 6.555 7.926 326 HG22 ILE 42 HG22 ILE 42 1.261 5.120 8.515 327 HG23 ILE 42 HG23 ILE 42 1.238 5.510 6.793 328 HD11 ILE 42 HD11 ILE 42 3.041 2.467 9.204 329 HD12 ILE 42 HD12 ILE 42 2.050 1.449 8.161 330 HD13 ILE 42 HD13 ILE 42 1.386 2.947 8.808 331 H GLU 43 H GLU 43 6.105 6.287 7.273 332 HA GLU 43 HA GLU 43 5.114 8.882 7.891 333 HB2 GLU 43 HB2 GLU 43 7.966 7.848 7.739 334 HB3 GLU 43 HB3 GLU 43 7.565 9.490 8.233 335 HG2 GLU 43 HG2 GLU 43 6.254 8.555 10.138 336 HG3 GLU 43 HG3 GLU 43 6.768 6.938 9.664 337 H SER 44 H SER 44 6.879 7.491 5.118 338 HA SER 44 HA SER 44 7.295 9.792 3.578 339 HB2 SER 44 HB2 SER 44 6.708 6.911 2.870 340 HB3 SER 44 HB3 SER 44 6.833 8.107 1.585 341 HG SER 44 HG SER 44 8.802 7.336 3.495 342 H ILE 45 H ILE 45 4.341 7.889 4.092 343 HA ILE 45 HA ILE 45 2.863 9.052 1.963 344 HB ILE 45 HB ILE 45 1.386 7.932 4.391 345 HG12 ILE 45 HG12 ILE 45 3.304 6.318 3.845 346 HG13 ILE 45 HG13 ILE 45 1.692 5.633 3.702 347 HG21 ILE 45 HG21 ILE 45 0.973 7.782 1.377 348 HG22 ILE 45 HG22 ILE 45 0.112 8.845 2.505 349 HG23 ILE 45 HG23 ILE 45 -0.126 7.099 2.592 350 HD11 ILE 45 HD11 ILE 45 3.485 6.524 1.455 351 HD12 ILE 45 HD12 ILE 45 1.835 5.923 1.252 352 HD13 ILE 45 HD13 ILE 45 3.080 4.873 1.915 353 H LYS 46 H LYS 46 3.180 9.732 5.433 354 HA LYS 46 HA LYS 46 1.170 11.663 5.701 355 HB2 LYS 46 HB2 LYS 46 3.678 11.639 7.415 356 HB3 LYS 46 HB3 LYS 46 2.050 12.133 7.864 357 HG2 LYS 46 HG2 LYS 46 3.135 9.329 7.525 358 HG3 LYS 46 HG3 LYS 46 2.445 10.069 8.971 359 HD2 LYS 46 HD2 LYS 46 0.954 9.241 6.445 360 HD3 LYS 46 HD3 LYS 46 0.855 8.471 8.030 361 HE2 LYS 46 HE2 LYS 46 0.037 11.345 7.537 362 HE3 LYS 46 HE3 LYS 46 -1.059 9.994 7.400 363 HZ1 LYS 46 HZ1 LYS 46 0.462 10.693 9.832 364 HZ2 LYS 46 HZ2 LYS 46 -0.687 9.463 9.693 365 HZ3 LYS 46 HZ3 LYS 46 -1.159 11.076 9.557 366 H ARG 47 H ARG 47 4.299 11.896 4.402 367 HA ARG 47 HA ARG 47 4.970 14.601 4.928 368 HB2 ARG 47 HB2 ARG 47 5.912 12.866 2.603 369 HB3 ARG 47 HB3 ARG 47 6.669 14.364 3.131 370 HG2 ARG 47 HG2 ARG 47 6.518 11.777 4.682 371 HG3 ARG 47 HG3 ARG 47 7.942 12.450 3.902 372 HD2 ARG 47 HD2 ARG 47 8.069 14.245 5.485 373 HD3 ARG 47 HD3 ARG 47 6.464 13.878 6.130 374 HE ARG 47 HE ARG 47 8.530 11.816 6.378 375 HH11 ARG 47 HH11 ARG 47 6.725 14.375 7.971 376 HH12 ARG 47 HH12 ARG 47 7.060 13.779 9.566 377 HH21 ARG 47 HH21 ARG 47 8.961 11.041 8.478 378 HH22 ARG 47 HH22 ARG 47 8.316 11.878 9.851 379 H ASN 48 H ASN 48 3.530 13.101 2.034 380 HA ASN 48 HA ASN 48 2.122 15.394 1.143 381 HB2 ASN 48 HB2 ASN 48 4.541 16.198 0.843 382 HB3 ASN 48 HB3 ASN 48 4.698 15.018 -0.451 383 HD21 ASN 48 HD21 ASN 48 3.047 17.929 0.587 384 HD22 ASN 48 HD22 ASN 48 2.595 18.480 -0.985 385 H SER 49 H SER 49 2.119 12.314 1.176 386 HA SER 49 HA SER 49 2.201 11.391 -1.513 387 HB2 SER 49 HB2 SER 49 2.433 9.938 0.479 388 HB3 SER 49 HB3 SER 49 0.715 10.149 0.810 389 HG SER 49 HG SER 49 1.994 8.702 -1.192 390 H ALA 50 H ALA 50 -0.475 12.637 0.477 391 HA ALA 50 HA ALA 50 -2.567 12.176 -1.357 392 HB1 ALA 50 HB1 ALA 50 -2.342 14.376 0.718 393 HB2 ALA 50 HB2 ALA 50 -2.946 12.743 1.002 394 HB3 ALA 50 HB3 ALA 50 -3.830 13.836 -0.066 395 H GLY 51 H GLY 51 -0.012 14.522 -1.399 396 HA2 GLY 51 HA2 GLY 51 -1.193 15.933 -3.727 397 HA3 GLY 51 HA3 GLY 51 0.142 16.510 -2.742 398 H ALA 52 H ALA 52 0.911 13.375 -3.091 399 HA ALA 52 HA ALA 52 2.983 13.752 -4.992 400 HB1 ALA 52 HB1 ALA 52 1.847 11.155 -3.886 401 HB2 ALA 52 HB2 ALA 52 3.138 12.117 -3.152 402 HB3 ALA 52 HB3 ALA 52 3.405 11.336 -4.714 403 H ASP 53 H ASP 53 3.166 13.094 -7.145 404 HA ASP 53 HA ASP 53 0.743 13.086 -8.657 405 HB2 ASP 53 HB2 ASP 53 2.801 14.231 -9.435 406 HB3 ASP 53 HB3 ASP 53 3.619 12.675 -9.574 407 H THR 54 H THR 54 0.147 11.446 -10.271 408 HA THR 54 HA THR 54 0.836 8.668 -9.477 409 HB THR 54 HB THR 54 -1.763 9.754 -10.647 410 HG1 THR 54 HG1 THR 54 -0.833 9.277 -8.035 411 HG21 THR 54 HG21 THR 54 -2.732 7.543 -10.020 412 HG22 THR 54 HG22 THR 54 -1.118 6.974 -9.588 413 HG23 THR 54 HG23 THR 54 -1.484 7.386 -11.264 414 H VAL 55 H VAL 55 2.415 8.118 -10.893 415 HA VAL 55 HA VAL 55 2.169 8.586 -13.804 416 HB VAL 55 HB VAL 55 4.538 7.596 -12.140 417 HG11 VAL 55 HG11 VAL 55 5.914 7.958 -14.162 418 HG12 VAL 55 HG12 VAL 55 4.462 8.363 -15.084 419 HG13 VAL 55 HG13 VAL 55 4.669 6.737 -14.430 420 HG21 VAL 55 HG21 VAL 55 4.054 10.342 -13.345 421 HG22 VAL 55 HG22 VAL 55 5.522 9.825 -12.512 422 HG23 VAL 55 HG23 VAL 55 4.000 9.930 -11.629 423 H ASP 56 H ASP 56 1.390 6.910 -15.002 424 HA ASP 56 HA ASP 56 1.514 4.165 -13.932 425 HB2 ASP 56 HB2 ASP 56 -0.674 5.249 -14.795 426 HB3 ASP 56 HB3 ASP 56 -0.029 4.996 -16.415 427 H LEU 57 H LEU 57 3.255 3.057 -14.476 428 HA LEU 57 HA LEU 57 4.785 3.441 -16.890 429 HB2 LEU 57 HB2 LEU 57 5.035 1.164 -14.898 430 HB3 LEU 57 HB3 LEU 57 6.266 1.767 -15.996 431 HG LEU 57 HG LEU 57 5.202 3.206 -13.533 432 HD11 LEU 57 HD11 LEU 57 7.856 1.834 -14.041 433 HD12 LEU 57 HD12 LEU 57 6.575 1.304 -12.948 434 HD13 LEU 57 HD13 LEU 57 7.456 2.789 -12.610 435 HD21 LEU 57 HD21 LEU 57 6.998 4.867 -13.919 436 HD22 LEU 57 HD22 LEU 57 5.820 4.862 -15.228 437 HD23 LEU 57 HD23 LEU 57 7.389 4.087 -15.458 438 H THR 58 H THR 58 2.141 1.252 -15.945 439 HA THR 58 HA THR 58 3.072 -0.895 -17.741 440 HB THR 58 HB THR 58 2.430 -1.543 -15.431 441 HG1 THR 58 HG1 THR 58 0.768 -2.641 -17.466 442 HG21 THR 58 HG21 THR 58 0.583 0.033 -14.988 443 HG22 THR 58 HG22 THR 58 0.069 -1.636 -14.728 444 HG23 THR 58 HG23 THR 58 -0.409 -0.784 -16.196 445 H THR 59 H THR 59 1.214 1.814 -17.966 446 HA THR 59 HA THR 59 -0.813 0.749 -19.772 447 HB THR 59 HB THR 59 -0.336 3.467 -18.574 448 HG1 THR 59 HG1 THR 59 -1.362 1.799 -17.325 449 HG21 THR 59 HG21 THR 59 -2.501 2.735 -20.549 450 HG22 THR 59 HG22 THR 59 -1.176 3.859 -20.842 451 HG23 THR 59 HG23 THR 59 -2.402 4.249 -19.640 452 H MET 60 H MET 60 0.240 0.111 -21.543 453 HA MET 60 HA MET 60 1.801 2.024 -23.158 454 HB2 MET 60 HB2 MET 60 3.420 0.666 -21.857 455 HB3 MET 60 HB3 MET 60 2.657 -0.819 -22.403 456 HG2 MET 60 HG2 MET 60 4.738 -0.450 -23.584 457 HG3 MET 60 HG3 MET 60 3.388 -0.322 -24.709 458 HE1 MET 60 HE1 MET 60 5.855 3.268 -23.137 459 HE2 MET 60 HE2 MET 60 6.245 1.581 -22.789 460 HE3 MET 60 HE3 MET 60 4.810 2.321 -22.082 461 H THR 61 H THR 61 1.891 1.345 -25.454 462 HA THR 61 HA THR 61 -0.521 0.431 -26.554 463 HB THR 61 HB THR 61 0.822 0.227 -28.727 464 HG1 THR 61 HG1 THR 61 2.972 0.641 -28.683 465 HG21 THR 61 HG21 THR 61 1.258 2.643 -28.927 466 HG22 THR 61 HG22 THR 61 1.171 2.819 -27.173 467 HG23 THR 61 HG23 THR 61 -0.269 2.357 -28.083 468 H ALA 62 H ALA 62 2.589 -1.279 -26.238 469 HA ALA 62 HA ALA 62 1.163 -3.883 -26.341 470 HB1 ALA 62 HB1 ALA 62 4.023 -3.312 -27.241 471 HB2 ALA 62 HB2 ALA 62 2.645 -3.599 -28.306 472 HB3 ALA 62 HB3 ALA 62 3.225 -4.888 -27.253 473 H MET 1 H MET 1 9.152 16.711 -8.241 474 HA MET 1 HA MET 1 9.718 15.322 -6.328 475 HB2 MET 1 HB2 MET 1 7.864 17.100 -6.341 476 HB3 MET 1 HB3 MET 1 6.706 15.797 -6.544 477 HG2 MET 1 HG2 MET 1 7.273 14.890 -4.376 478 HG3 MET 1 HG3 MET 1 8.600 16.038 -4.198 479 HE1 MET 1 HE1 MET 1 7.933 17.070 -1.918 480 HE2 MET 1 HE2 MET 1 6.721 15.790 -1.813 481 HE3 MET 1 HE3 MET 1 6.271 17.460 -1.479 482 H TYR 2 H TYR 2 8.654 13.533 -4.878 483 HA TYR 2 HA TYR 2 8.645 11.092 -6.290 484 HB2 TYR 2 HB2 TYR 2 7.924 10.079 -4.063 485 HB3 TYR 2 HB3 TYR 2 9.449 10.941 -4.095 486 HD1 TYR 2 HD1 TYR 2 5.828 11.443 -3.168 487 HD2 TYR 2 HD2 TYR 2 9.884 12.557 -2.445 488 HE1 TYR 2 HE1 TYR 2 5.123 12.742 -1.205 489 HE2 TYR 2 HE2 TYR 2 9.181 13.850 -0.491 490 HH TYR 2 HH TYR 2 7.191 14.936 0.383 491 H LYS 3 H LYS 3 6.885 9.422 -6.038 492 HA LYS 3 HA LYS 3 4.216 10.260 -6.419 493 HB2 LYS 3 HB2 LYS 3 4.206 9.863 -8.985 494 HB3 LYS 3 HB3 LYS 3 4.804 11.400 -8.392 495 HG2 LYS 3 HG2 LYS 3 6.199 10.713 -10.201 496 HG3 LYS 3 HG3 LYS 3 7.146 10.582 -8.720 497 HD2 LYS 3 HD2 LYS 3 6.953 8.167 -8.733 498 HD3 LYS 3 HD3 LYS 3 5.767 8.216 -10.043 499 HE2 LYS 3 HE2 LYS 3 8.016 7.550 -10.840 500 HE3 LYS 3 HE3 LYS 3 7.462 9.044 -11.591 501 HZ1 LYS 3 HZ1 LYS 3 9.753 9.198 -10.941 502 HZ2 LYS 3 HZ2 LYS 3 9.375 8.826 -9.341 503 HZ3 LYS 3 HZ3 LYS 3 8.829 10.272 -10.024 504 H PHE 4 H PHE 4 3.078 8.551 -7.914 505 HA PHE 4 HA PHE 4 3.706 5.892 -6.821 506 HB2 PHE 4 HB2 PHE 4 1.140 7.123 -7.926 507 HB3 PHE 4 HB3 PHE 4 1.293 5.409 -7.544 508 HD1 PHE 4 HD1 PHE 4 1.645 4.669 -5.220 509 HD2 PHE 4 HD2 PHE 4 0.839 8.797 -6.104 510 HE1 PHE 4 HE1 PHE 4 1.099 5.076 -2.868 511 HE2 PHE 4 HE2 PHE 4 0.303 9.173 -3.740 512 HZ PHE 4 HZ PHE 4 0.429 7.319 -2.127 513 H GLU 5 H GLU 5 4.801 4.645 -8.161 514 HA GLU 5 HA GLU 5 4.543 4.871 -11.084 515 HB2 GLU 5 HB2 GLU 5 6.529 3.333 -9.348 516 HB3 GLU 5 HB3 GLU 5 6.493 3.262 -11.108 517 HG2 GLU 5 HG2 GLU 5 6.771 5.810 -11.051 518 HG3 GLU 5 HG3 GLU 5 7.145 5.612 -9.341 519 H ILE 6 H ILE 6 2.951 3.695 -11.948 520 HA ILE 6 HA ILE 6 1.830 1.377 -10.529 521 HB ILE 6 HB ILE 6 0.757 2.797 -13.007 522 HG12 ILE 6 HG12 ILE 6 -0.193 3.232 -10.144 523 HG13 ILE 6 HG13 ILE 6 0.957 4.294 -10.949 524 HG21 ILE 6 HG21 ILE 6 -1.393 1.679 -12.454 525 HG22 ILE 6 HG22 ILE 6 -0.632 0.886 -11.074 526 HG23 ILE 6 HG23 ILE 6 -0.109 0.490 -12.713 527 HD11 ILE 6 HD11 ILE 6 -1.862 3.750 -11.839 528 HD12 ILE 6 HD12 ILE 6 -0.716 4.824 -12.645 529 HD13 ILE 6 HD13 ILE 6 -1.282 5.193 -11.017 530 H TYR 7 H TYR 7 2.643 -0.494 -11.142 531 HA TYR 7 HA TYR 7 3.223 -1.051 -13.974 532 HB2 TYR 7 HB2 TYR 7 5.372 -2.055 -13.428 533 HB3 TYR 7 HB3 TYR 7 5.372 -0.406 -12.822 534 HD1 TYR 7 HD1 TYR 7 4.961 0.015 -10.339 535 HD2 TYR 7 HD2 TYR 7 5.705 -3.912 -11.868 536 HE1 TYR 7 HE1 TYR 7 5.416 -0.787 -8.066 537 HE2 TYR 7 HE2 TYR 7 6.167 -4.701 -9.585 538 HH TYR 7 HH TYR 7 6.864 -3.742 -7.416 539 H GLN 8 H GLN 8 3.335 -3.402 -14.343 540 HA GLN 8 HA GLN 8 1.777 -4.940 -12.344 541 HB2 GLN 8 HB2 GLN 8 0.835 -6.302 -13.985 542 HB3 GLN 8 HB3 GLN 8 0.860 -4.744 -14.793 543 HG2 GLN 8 HG2 GLN 8 3.056 -5.558 -15.870 544 HG3 GLN 8 HG3 GLN 8 2.603 -7.152 -15.290 545 HE21 GLN 8 HE21 GLN 8 0.653 -8.094 -16.111 546 HE22 GLN 8 HE22 GLN 8 0.002 -7.615 -17.634 547 H ASP 9 H ASP 9 2.681 -6.800 -11.577 548 HA ASP 9 HA ASP 9 5.519 -7.208 -11.833 549 HB2 ASP 9 HB2 ASP 9 4.418 -7.532 -9.668 550 HB3 ASP 9 HB3 ASP 9 3.325 -8.726 -10.351 551 H LYS 10 H LYS 10 6.422 -9.286 -12.519 552 HA LYS 10 HA LYS 10 5.829 -10.215 -15.001 553 HB2 LYS 10 HB2 LYS 10 7.264 -12.236 -14.403 554 HB3 LYS 10 HB3 LYS 10 7.977 -10.660 -14.114 555 HG2 LYS 10 HG2 LYS 10 8.605 -11.815 -12.204 556 HG3 LYS 10 HG3 LYS 10 7.159 -10.962 -11.662 557 HD2 LYS 10 HD2 LYS 10 5.874 -13.134 -12.213 558 HD3 LYS 10 HD3 LYS 10 7.455 -13.909 -12.346 559 HE2 LYS 10 HE2 LYS 10 6.367 -12.480 -9.909 560 HE3 LYS 10 HE3 LYS 10 6.466 -14.228 -10.112 561 HZ1 LYS 10 HZ1 LYS 10 8.269 -13.350 -8.772 562 HZ2 LYS 10 HZ2 LYS 10 8.773 -12.372 -10.053 563 HZ3 LYS 10 HZ3 LYS 10 8.860 -14.051 -10.192 564 H ALA 11 H ALA 11 4.446 -11.302 -12.016 565 HA ALA 11 HA ALA 11 2.992 -13.584 -13.047 566 HB1 ALA 11 HB1 ALA 11 3.736 -13.437 -10.698 567 HB2 ALA 11 HB2 ALA 11 1.988 -13.653 -10.800 568 HB3 ALA 11 HB3 ALA 11 2.663 -12.061 -10.438 569 H GLY 12 H GLY 12 2.555 -10.588 -13.980 570 HA2 GLY 12 HA2 GLY 12 0.907 -9.324 -14.892 571 HA3 GLY 12 HA3 GLY 12 -0.158 -10.700 -14.731 572 H GLU 13 H GLU 13 1.518 -9.132 -12.046 573 HA GLU 13 HA GLU 13 -1.106 -8.671 -10.732 574 HB2 GLU 13 HB2 GLU 13 1.725 -8.762 -9.584 575 HB3 GLU 13 HB3 GLU 13 0.294 -8.384 -8.631 576 HG2 GLU 13 HG2 GLU 13 0.895 -11.009 -10.031 577 HG3 GLU 13 HG3 GLU 13 0.944 -10.701 -8.295 578 H TYR 14 H TYR 14 -1.724 -6.743 -11.767 579 HA TYR 14 HA TYR 14 -0.259 -4.406 -11.969 580 HB2 TYR 14 HB2 TYR 14 -3.253 -4.776 -11.629 581 HB3 TYR 14 HB3 TYR 14 -2.502 -3.226 -12.012 582 HD1 TYR 14 HD1 TYR 14 -1.477 -2.822 -14.221 583 HD2 TYR 14 HD2 TYR 14 -3.272 -6.599 -13.322 584 HE1 TYR 14 HE1 TYR 14 -1.398 -3.439 -16.607 585 HE2 TYR 14 HE2 TYR 14 -3.203 -7.204 -15.699 586 HH TYR 14 HH TYR 14 -1.405 -5.456 -18.003 587 H ARG 15 H ARG 15 0.391 -2.965 -10.678 588 HA ARG 15 HA ARG 15 -0.155 -2.917 -7.789 589 HB2 ARG 15 HB2 ARG 15 2.566 -3.393 -9.089 590 HB3 ARG 15 HB3 ARG 15 2.385 -2.911 -7.403 591 HG2 ARG 15 HG2 ARG 15 1.321 -4.960 -6.834 592 HG3 ARG 15 HG3 ARG 15 1.131 -5.418 -8.527 593 HD2 ARG 15 HD2 ARG 15 3.489 -5.755 -8.777 594 HD3 ARG 15 HD3 ARG 15 3.810 -5.051 -7.193 595 HE ARG 15 HE ARG 15 2.048 -7.292 -7.028 596 HH11 ARG 15 HH11 ARG 15 5.461 -6.522 -7.314 597 HH12 ARG 15 HH12 ARG 15 5.974 -8.022 -6.619 598 HH21 ARG 15 HH21 ARG 15 2.726 -9.236 -6.101 599 HH22 ARG 15 HH22 ARG 15 4.424 -9.565 -5.942 600 H PHE 16 H PHE 16 0.962 -1.109 -6.751 601 HA PHE 16 HA PHE 16 2.249 0.866 -8.466 602 HB2 PHE 16 HB2 PHE 16 1.088 2.745 -7.302 603 HB3 PHE 16 HB3 PHE 16 -0.007 1.772 -8.268 604 HD1 PHE 16 HD1 PHE 16 -1.561 0.127 -7.105 605 HD2 PHE 16 HD2 PHE 16 0.702 3.041 -4.943 606 HE1 PHE 16 HE1 PHE 16 -3.074 -0.115 -5.184 607 HE2 PHE 16 HE2 PHE 16 -0.819 2.792 -3.026 608 HZ PHE 16 HZ PHE 16 -2.706 1.220 -3.148 609 H ARG 17 H ARG 17 3.945 1.817 -7.482 610 HA ARG 17 HA ARG 17 4.549 1.101 -4.673 611 HB2 ARG 17 HB2 ARG 17 6.909 1.081 -5.251 612 HB3 ARG 17 HB3 ARG 17 6.063 -0.023 -6.324 613 HG2 ARG 17 HG2 ARG 17 6.172 1.645 -8.137 614 HG3 ARG 17 HG3 ARG 17 6.988 2.777 -7.057 615 HD2 ARG 17 HD2 ARG 17 8.893 1.249 -6.856 616 HD3 ARG 17 HD3 ARG 17 8.064 0.055 -7.865 617 HE ARG 17 HE ARG 17 8.875 2.735 -8.848 618 HH11 ARG 17 HH11 ARG 17 8.610 -0.720 -9.339 619 HH12 ARG 17 HH12 ARG 17 9.316 -0.670 -10.921 620 HH21 ARG 17 HH21 ARG 17 9.824 2.789 -10.906 621 HH22 ARG 17 HH22 ARG 17 10.021 1.311 -11.797 622 H PHE 18 H PHE 18 5.546 2.750 -3.454 623 HA PHE 18 HA PHE 18 5.151 5.496 -4.541 624 HB2 PHE 18 HB2 PHE 18 3.606 4.946 -2.633 625 HB3 PHE 18 HB3 PHE 18 5.011 4.669 -1.612 626 HD1 PHE 18 HD1 PHE 18 4.462 7.403 -4.116 627 HD2 PHE 18 HD2 PHE 18 4.787 6.369 0.016 628 HE1 PHE 18 HE1 PHE 18 4.398 9.773 -3.513 629 HE2 PHE 18 HE2 PHE 18 4.707 8.744 0.621 630 HZ PHE 18 HZ PHE 18 4.534 10.455 -1.148 631 H LYS 19 H LYS 19 6.813 6.791 -4.563 632 HA LYS 19 HA LYS 19 9.485 5.693 -3.933 633 HB2 LYS 19 HB2 LYS 19 8.595 7.939 -5.822 634 HB3 LYS 19 HB3 LYS 19 10.251 7.355 -5.637 635 HG2 LYS 19 HG2 LYS 19 7.894 5.733 -6.672 636 HG3 LYS 19 HG3 LYS 19 9.197 6.416 -7.655 637 HD2 LYS 19 HD2 LYS 19 9.602 4.345 -5.442 638 HD3 LYS 19 HD3 LYS 19 9.495 3.956 -7.157 639 HE2 LYS 19 HE2 LYS 19 11.567 5.875 -6.070 640 HE3 LYS 19 HE3 LYS 19 11.852 4.146 -6.171 641 HZ1 LYS 19 HZ1 LYS 19 12.713 5.313 -8.098 642 HZ2 LYS 19 HZ2 LYS 19 11.175 5.921 -8.445 643 HZ3 LYS 19 HZ3 LYS 19 11.467 4.262 -8.549 644 H ALA 20 H ALA 20 11.066 7.727 -3.739 645 HA ALA 20 HA ALA 20 10.063 9.738 -1.830 646 HB1 ALA 20 HB1 ALA 20 12.562 8.059 -1.390 647 HB2 ALA 20 HB2 ALA 20 11.061 7.934 -0.472 648 HB3 ALA 20 HB3 ALA 20 12.031 9.404 -0.376 649 H SER 21 H SER 21 11.544 11.618 -1.689 650 HA SER 21 HA SER 21 12.274 12.721 -4.100 651 HB2 SER 21 HB2 SER 21 13.359 13.439 -1.347 652 HB3 SER 21 HB3 SER 21 13.415 14.484 -2.771 653 HG SER 21 HG SER 21 11.573 14.613 -1.111 654 H ASN 22 H ASN 22 14.294 10.723 -2.028 655 HA ASN 22 HA ASN 22 16.756 11.282 -3.465 656 HB2 ASN 22 HB2 ASN 22 17.808 9.716 -1.921 657 HB3 ASN 22 HB3 ASN 22 16.838 10.895 -1.047 658 HD21 ASN 22 HD21 ASN 22 17.726 8.370 -0.117 659 HD22 ASN 22 HD22 ASN 22 16.327 7.439 0.216 660 H GLY 23 H GLY 23 14.121 9.209 -3.908 661 HA2 GLY 23 HA2 GLY 23 13.694 7.780 -5.679 662 HA3 GLY 23 HA3 GLY 23 15.403 7.752 -6.077 663 H GLU 24 H GLU 24 13.592 6.969 -3.131 664 HA GLU 24 HA GLU 24 14.489 4.147 -3.270 665 HB2 GLU 24 HB2 GLU 24 14.325 5.945 -0.802 666 HB3 GLU 24 HB3 GLU 24 14.487 4.194 -0.714 667 HG2 GLU 24 HG2 GLU 24 16.492 6.042 -2.042 668 HG3 GLU 24 HG3 GLU 24 16.623 5.448 -0.390 669 H THR 25 H THR 25 12.870 2.731 -3.175 670 HA THR 25 HA THR 25 10.111 3.648 -2.944 671 HB THR 25 HB THR 25 11.183 0.843 -3.496 672 HG1 THR 25 HG1 THR 25 11.740 1.648 -5.331 673 HG21 THR 25 HG21 THR 25 8.811 0.856 -2.795 674 HG22 THR 25 HG22 THR 25 8.978 0.407 -4.491 675 HG23 THR 25 HG23 THR 25 8.450 2.034 -4.062 676 H MET 26 H MET 26 8.886 3.365 -1.240 677 HA MET 26 HA MET 26 10.008 2.031 1.149 678 HB2 MET 26 HB2 MET 26 8.293 3.628 2.347 679 HB3 MET 26 HB3 MET 26 9.834 4.244 1.780 680 HG2 MET 26 HG2 MET 26 8.050 5.803 1.289 681 HG3 MET 26 HG3 MET 26 8.728 5.177 -0.215 682 HE1 MET 26 HE1 MET 26 4.688 4.030 1.574 683 HE2 MET 26 HE2 MET 26 5.830 5.177 2.270 684 HE3 MET 26 HE3 MET 26 6.194 3.449 2.273 685 H PHE 27 H PHE 27 7.252 1.919 -1.031 686 HA PHE 27 HA PHE 27 6.929 -0.782 -0.055 687 HB2 PHE 27 HB2 PHE 27 4.633 -0.857 0.508 688 HB3 PHE 27 HB3 PHE 27 5.175 0.620 1.286 689 HD1 PHE 27 HD1 PHE 27 4.432 2.796 0.396 690 HD2 PHE 27 HD2 PHE 27 2.982 -0.789 -1.341 691 HE1 PHE 27 HE1 PHE 27 2.663 4.084 -0.680 692 HE2 PHE 27 HE2 PHE 27 1.185 0.487 -2.449 693 HZ PHE 27 HZ PHE 27 1.010 2.924 -2.117 694 H SER 28 H SER 28 5.637 -2.047 -1.355 695 HA SER 28 HA SER 28 4.665 -1.034 -3.942 696 HB2 SER 28 HB2 SER 28 5.457 -3.050 -5.145 697 HB3 SER 28 HB3 SER 28 6.824 -2.160 -4.478 698 HG SER 28 HG SER 28 6.230 -3.807 -2.608 699 H SER 29 H SER 29 2.764 -2.168 -4.656 700 HA SER 29 HA SER 29 1.186 -3.197 -2.456 701 HB2 SER 29 HB2 SER 29 0.190 -1.625 -4.088 702 HB3 SER 29 HB3 SER 29 0.503 -2.753 -5.406 703 HG SER 29 HG SER 29 -1.343 -2.982 -3.274 704 H GLU 30 H GLU 30 -0.006 -5.232 -2.612 705 HA GLU 30 HA GLU 30 1.472 -7.524 -3.346 706 HB2 GLU 30 HB2 GLU 30 -1.540 -7.280 -2.974 707 HB3 GLU 30 HB3 GLU 30 -0.612 -8.781 -2.942 708 HG2 GLU 30 HG2 GLU 30 0.574 -7.961 -0.917 709 HG3 GLU 30 HG3 GLU 30 -0.444 -6.519 -0.935 710 H GLY 31 H GLY 31 -0.854 -5.577 -5.043 711 HA2 GLY 31 HA2 GLY 31 -0.928 -5.681 -7.546 712 HA3 GLY 31 HA3 GLY 31 -0.851 -7.433 -7.393 713 H TYR 32 H TYR 32 -2.934 -4.606 -6.731 714 HA TYR 32 HA TYR 32 -4.633 -5.814 -4.829 715 HB2 TYR 32 HB2 TYR 32 -4.317 -3.371 -5.031 716 HB3 TYR 32 HB3 TYR 32 -5.022 -3.395 -6.646 717 HD1 TYR 32 HD1 TYR 32 -6.033 -4.747 -3.266 718 HD2 TYR 32 HD2 TYR 32 -7.190 -2.435 -6.677 719 HE1 TYR 32 HE1 TYR 32 -8.247 -4.365 -2.264 720 HE2 TYR 32 HE2 TYR 32 -9.400 -2.057 -5.661 721 HH TYR 32 HH TYR 32 -10.068 -2.753 -2.394 722 H LYS 33 H LYS 33 -5.168 -5.091 -8.335 723 HA LYS 33 HA LYS 33 -6.738 -7.468 -8.730 724 HB2 LYS 33 HB2 LYS 33 -8.361 -5.900 -7.550 725 HB3 LYS 33 HB3 LYS 33 -8.262 -4.832 -8.938 726 HG2 LYS 33 HG2 LYS 33 -10.285 -6.186 -9.034 727 HG3 LYS 33 HG3 LYS 33 -9.215 -6.591 -10.379 728 HD2 LYS 33 HD2 LYS 33 -8.523 -8.648 -9.313 729 HD3 LYS 33 HD3 LYS 33 -9.311 -8.195 -7.799 730 HE2 LYS 33 HE2 LYS 33 -10.763 -8.774 -10.405 731 HE3 LYS 33 HE3 LYS 33 -10.589 -9.907 -9.062 732 HZ1 LYS 33 HZ1 LYS 33 -12.727 -8.773 -9.017 733 HZ2 LYS 33 HZ2 LYS 33 -11.956 -7.273 -8.911 734 HZ3 LYS 33 HZ3 LYS 33 -11.811 -8.382 -7.650 735 H ALA 34 H ALA 34 -6.655 -4.176 -10.153 736 HA ALA 34 HA ALA 34 -5.555 -5.156 -12.690 737 HB1 ALA 34 HB1 ALA 34 -7.992 -5.534 -12.924 738 HB2 ALA 34 HB2 ALA 34 -7.439 -4.265 -14.018 739 HB3 ALA 34 HB3 ALA 34 -8.298 -3.841 -12.534 740 H LYS 35 H LYS 35 -5.524 -3.010 -14.302 741 HA LYS 35 HA LYS 35 -3.873 -1.126 -13.012 742 HB2 LYS 35 HB2 LYS 35 -3.449 -1.626 -15.299 743 HB3 LYS 35 HB3 LYS 35 -5.123 -1.411 -15.766 744 HG2 LYS 35 HG2 LYS 35 -3.540 0.990 -14.837 745 HG3 LYS 35 HG3 LYS 35 -3.265 0.348 -16.456 746 HD2 LYS 35 HD2 LYS 35 -5.840 0.560 -16.781 747 HD3 LYS 35 HD3 LYS 35 -5.819 1.542 -15.318 748 HE2 LYS 35 HE2 LYS 35 -4.326 2.143 -17.891 749 HE3 LYS 35 HE3 LYS 35 -5.796 2.937 -17.332 750 HZ1 LYS 35 HZ1 LYS 35 -3.176 2.999 -15.956 751 HZ2 LYS 35 HZ2 LYS 35 -4.583 3.773 -15.434 752 HZ3 LYS 35 HZ3 LYS 35 -3.839 4.247 -16.875 753 H ALA 36 H ALA 36 -7.186 -0.927 -14.344 754 HA ALA 36 HA ALA 36 -7.854 1.677 -13.631 755 HB1 ALA 36 HB1 ALA 36 -9.705 -0.740 -13.705 756 HB2 ALA 36 HB2 ALA 36 -9.264 0.268 -15.084 757 HB3 ALA 36 HB3 ALA 36 -10.217 0.950 -13.765 758 H SER 37 H SER 37 -8.073 -1.292 -11.720 759 HA SER 37 HA SER 37 -9.249 -0.186 -9.375 760 HB2 SER 37 HB2 SER 37 -7.538 -2.702 -9.593 761 HB3 SER 37 HB3 SER 37 -8.744 -2.332 -8.355 762 HG SER 37 HG SER 37 -10.284 -2.914 -9.682 763 H ALA 38 H ALA 38 -5.936 -0.435 -10.555 764 HA ALA 38 HA ALA 38 -4.577 -0.034 -8.080 765 HB1 ALA 38 HB1 ALA 38 -3.451 -1.079 -10.009 766 HB2 ALA 38 HB2 ALA 38 -2.564 0.340 -9.448 767 HB3 ALA 38 HB3 ALA 38 -3.557 0.439 -10.906 768 H ILE 39 H ILE 39 -5.308 2.231 -10.841 769 HA ILE 39 HA ILE 39 -4.516 4.602 -9.642 770 HB ILE 39 HB ILE 39 -6.683 4.056 -11.717 771 HG12 ILE 39 HG12 ILE 39 -5.037 5.406 -13.187 772 HG13 ILE 39 HG13 ILE 39 -3.892 5.286 -11.860 773 HG21 ILE 39 HG21 ILE 39 -5.887 6.813 -10.710 774 HG22 ILE 39 HG22 ILE 39 -7.471 6.053 -10.549 775 HG23 ILE 39 HG23 ILE 39 -6.870 6.506 -12.145 776 HD11 ILE 39 HD11 ILE 39 -5.061 2.993 -13.421 777 HD12 ILE 39 HD12 ILE 39 -3.911 2.853 -12.087 778 HD13 ILE 39 HD13 ILE 39 -3.439 3.666 -13.579 779 H HIS 40 H HIS 40 -7.699 2.981 -9.471 780 HA HIS 40 HA HIS 40 -9.105 4.885 -7.969 781 HB2 HIS 40 HB2 HIS 40 -9.440 1.874 -8.229 782 HB3 HIS 40 HB3 HIS 40 -10.523 2.835 -7.225 783 HD1 HIS 40 HD1 HIS 40 -12.518 2.248 -8.760 784 HD2 HIS 40 HD2 HIS 40 -9.496 4.374 -10.667 785 HE1 HIS 40 HE1 HIS 40 -13.497 3.022 -10.935 786 HE2 HIS 40 HE2 HIS 40 -11.728 4.484 -11.951 787 H ALA 41 H ALA 41 -7.036 2.215 -6.908 788 HA ALA 41 HA ALA 41 -7.316 2.501 -4.139 789 HB1 ALA 41 HB1 ALA 41 -6.302 0.530 -5.206 790 HB2 ALA 41 HB2 ALA 41 -5.190 1.238 -4.036 791 HB3 ALA 41 HB3 ALA 41 -4.944 1.511 -5.762 792 H ILE 42 H ILE 42 -4.865 3.860 -6.383 793 HA ILE 42 HA ILE 42 -3.472 5.441 -4.534 794 HB ILE 42 HB ILE 42 -3.866 5.960 -7.504 795 HG12 ILE 42 HG12 ILE 42 -1.531 4.566 -6.113 796 HG13 ILE 42 HG13 ILE 42 -2.896 3.694 -6.801 797 HG21 ILE 42 HG21 ILE 42 -1.752 7.265 -7.367 798 HG22 ILE 42 HG22 ILE 42 -1.729 7.042 -5.615 799 HG23 ILE 42 HG23 ILE 42 -3.022 7.976 -6.372 800 HD11 ILE 42 HD11 ILE 42 -0.991 3.709 -8.273 801 HD12 ILE 42 HD12 ILE 42 -1.017 5.470 -8.322 802 HD13 ILE 42 HD13 ILE 42 -2.367 4.542 -8.993 803 H GLU 43 H GLU 43 -6.539 5.991 -6.121 804 HA GLU 43 HA GLU 43 -6.682 8.808 -5.752 805 HB2 GLU 43 HB2 GLU 43 -8.853 6.742 -6.222 806 HB3 GLU 43 HB3 GLU 43 -9.209 8.459 -6.046 807 HG2 GLU 43 HG2 GLU 43 -7.723 8.933 -7.997 808 HG3 GLU 43 HG3 GLU 43 -7.480 7.201 -8.201 809 H SER 44 H SER 44 -7.565 6.013 -3.736 810 HA SER 44 HA SER 44 -8.749 7.325 -1.555 811 HB2 SER 44 HB2 SER 44 -6.996 4.868 -1.771 812 HB3 SER 44 HB3 SER 44 -7.558 5.410 -0.195 813 HG SER 44 HG SER 44 -9.007 4.411 -2.405 814 H ILE 45 H ILE 45 -5.337 7.023 -2.480 815 HA ILE 45 HA ILE 45 -4.275 7.893 0.011 816 HB ILE 45 HB ILE 45 -2.647 8.287 -2.546 817 HG12 ILE 45 HG12 ILE 45 -3.745 5.966 -2.669 818 HG13 ILE 45 HG13 ILE 45 -1.988 5.961 -2.654 819 HG21 ILE 45 HG21 ILE 45 -2.003 7.364 0.282 820 HG22 ILE 45 HG22 ILE 45 -1.703 8.976 -0.396 821 HG23 ILE 45 HG23 ILE 45 -0.813 7.585 -1.017 822 HD11 ILE 45 HD11 ILE 45 -3.818 5.317 -0.357 823 HD12 ILE 45 HD12 ILE 45 -2.056 5.380 -0.258 824 HD13 ILE 45 HD13 ILE 45 -2.839 4.192 -1.293 825 H LYS 46 H LYS 46 -5.081 9.486 -3.055 826 HA LYS 46 HA LYS 46 -3.986 12.010 -2.524 827 HB2 LYS 46 HB2 LYS 46 -6.401 11.683 -4.318 828 HB3 LYS 46 HB3 LYS 46 -5.038 12.780 -4.480 829 HG2 LYS 46 HG2 LYS 46 -5.219 9.860 -5.207 830 HG3 LYS 46 HG3 LYS 46 -4.783 11.231 -6.222 831 HD2 LYS 46 HD2 LYS 46 -3.083 9.909 -4.069 832 HD3 LYS 46 HD3 LYS 46 -2.814 9.880 -5.811 833 HE2 LYS 46 HE2 LYS 46 -2.607 12.299 -4.020 834 HE3 LYS 46 HE3 LYS 46 -1.292 11.394 -4.687 835 HZ1 LYS 46 HZ1 LYS 46 -1.649 13.353 -5.969 836 HZ2 LYS 46 HZ2 LYS 46 -3.277 12.965 -6.204 837 HZ3 LYS 46 HZ3 LYS 46 -2.073 12.011 -6.906 838 H ARG 47 H ARG 47 -6.871 10.578 -1.468 839 HA ARG 47 HA ARG 47 -8.572 12.814 -1.098 840 HB2 ARG 47 HB2 ARG 47 -8.548 10.132 0.336 841 HB3 ARG 47 HB3 ARG 47 -9.844 11.313 0.498 842 HG2 ARG 47 HG2 ARG 47 -9.025 9.990 -2.100 843 HG3 ARG 47 HG3 ARG 47 -10.360 9.459 -1.083 844 HD2 ARG 47 HD2 ARG 47 -11.524 11.579 -1.456 845 HD3 ARG 47 HD3 ARG 47 -10.149 12.201 -2.369 846 HE ARG 47 HE ARG 47 -10.735 10.904 -4.190 847 HH11 ARG 47 HH11 ARG 47 -12.834 10.034 -1.493 848 HH12 ARG 47 HH12 ARG 47 -14.000 9.257 -2.516 849 HH21 ARG 47 HH21 ARG 47 -12.285 9.894 -5.504 850 HH22 ARG 47 HH22 ARG 47 -13.684 9.167 -4.775 851 H ASN 48 H ASN 48 -6.497 11.119 1.253 852 HA ASN 48 HA ASN 48 -6.001 13.382 2.922 853 HB2 ASN 48 HB2 ASN 48 -8.505 13.053 3.326 854 HB3 ASN 48 HB3 ASN 48 -8.128 11.518 4.086 855 HD21 ASN 48 HD21 ASN 48 -7.253 11.522 6.181 856 HD22 ASN 48 HD22 ASN 48 -7.156 12.946 7.158 857 H SER 49 H SER 49 -4.791 10.741 1.880 858 HA SER 49 HA SER 49 -4.321 9.031 4.107 859 HB2 SER 49 HB2 SER 49 -4.130 8.358 1.729 860 HB3 SER 49 HB3 SER 49 -2.650 9.305 1.602 861 HG SER 49 HG SER 49 -3.060 6.836 2.644 862 H ALA 50 H ALA 50 -2.502 11.791 2.810 863 HA ALA 50 HA ALA 50 -0.268 11.633 4.520 864 HB1 ALA 50 HB1 ALA 50 -0.327 13.040 2.504 865 HB2 ALA 50 HB2 ALA 50 0.132 13.985 3.924 866 HB3 ALA 50 HB3 ALA 50 -1.504 14.105 3.272 867 H GLY 51 H GLY 51 -3.524 12.635 5.165 868 HA2 GLY 51 HA2 GLY 51 -2.817 13.540 7.899 869 HA3 GLY 51 HA3 GLY 51 -4.341 13.834 7.078 870 H ALA 52 H ALA 52 -3.818 10.727 6.322 871 HA ALA 52 HA ALA 52 -5.721 9.617 8.103 872 HB1 ALA 52 HB1 ALA 52 -3.736 8.203 6.285 873 HB2 ALA 52 HB2 ALA 52 -5.353 8.752 5.826 874 HB3 ALA 52 HB3 ALA 52 -5.169 7.467 7.022 875 H ASP 53 H ASP 53 -5.483 8.312 9.926 876 HA ASP 53 HA ASP 53 -3.136 8.722 11.495 877 HB2 ASP 53 HB2 ASP 53 -5.390 8.651 12.494 878 HB3 ASP 53 HB3 ASP 53 -5.564 6.962 12.023 879 H THR 54 H THR 54 -1.849 7.005 12.529 880 HA THR 54 HA THR 54 -1.449 4.619 10.805 881 HB THR 54 HB THR 54 0.618 6.137 12.461 882 HG1 THR 54 HG1 THR 54 -0.174 6.280 9.746 883 HG21 THR 54 HG21 THR 54 0.987 3.920 10.410 884 HG22 THR 54 HG22 THR 54 1.284 3.786 12.145 885 HG23 THR 54 HG23 THR 54 2.294 4.846 11.154 886 H VAL 55 H VAL 55 -2.568 3.065 11.853 887 HA VAL 55 HA VAL 55 -2.317 2.621 14.764 888 HB VAL 55 HB VAL 55 -4.253 1.390 12.733 889 HG11 VAL 55 HG11 VAL 55 -5.512 0.538 14.681 890 HG12 VAL 55 HG12 VAL 55 -4.264 1.155 15.766 891 HG13 VAL 55 HG13 VAL 55 -3.880 -0.130 14.621 892 HG21 VAL 55 HG21 VAL 55 -4.701 3.777 13.037 893 HG22 VAL 55 HG22 VAL 55 -4.757 3.577 14.791 894 HG23 VAL 55 HG23 VAL 55 -5.986 2.820 13.772 895 H ASP 56 H ASP 56 -0.890 1.071 15.412 896 HA ASP 56 HA ASP 56 0.017 -0.992 13.499 897 HB2 ASP 56 HB2 ASP 56 1.700 0.453 14.707 898 HB3 ASP 56 HB3 ASP 56 1.231 -0.328 16.208 899 H LEU 57 H LEU 57 -1.134 -2.787 13.545 900 HA LEU 57 HA LEU 57 -2.495 -3.842 15.860 901 HB2 LEU 57 HB2 LEU 57 -2.124 -4.798 13.003 902 HB3 LEU 57 HB3 LEU 57 -2.975 -5.762 14.199 903 HG LEU 57 HG LEU 57 -4.747 -4.096 14.386 904 HD11 LEU 57 HD11 LEU 57 -3.486 -2.012 14.101 905 HD12 LEU 57 HD12 LEU 57 -4.860 -2.072 12.999 906 HD13 LEU 57 HD13 LEU 57 -3.229 -2.384 12.394 907 HD21 LEU 57 HD21 LEU 57 -4.088 -4.679 11.490 908 HD22 LEU 57 HD22 LEU 57 -5.683 -4.235 12.115 909 HD23 LEU 57 HD23 LEU 57 -4.937 -5.756 12.604 910 H THR 58 H THR 58 0.666 -4.428 14.347 911 HA THR 58 HA THR 58 0.607 -7.286 14.902 912 HB THR 58 HB THR 58 1.556 -6.499 12.785 913 HG1 THR 58 HG1 THR 58 2.288 -8.469 13.538 914 HG21 THR 58 HG21 THR 58 3.733 -5.424 12.623 915 HG22 THR 58 HG22 THR 58 3.834 -5.310 14.382 916 HG23 THR 58 HG23 THR 58 2.608 -4.389 13.505 917 H THR 59 H THR 59 1.623 -4.547 16.709 918 HA THR 59 HA THR 59 3.405 -6.237 18.386 919 HB THR 59 HB THR 59 4.459 -4.117 19.212 920 HG1 THR 59 HG1 THR 59 3.440 -2.699 17.006 921 HG21 THR 59 HG21 THR 59 4.663 -4.489 16.196 922 HG22 THR 59 HG22 THR 59 5.562 -5.407 17.408 923 HG23 THR 59 HG23 THR 59 5.848 -3.676 17.223 924 H MET 60 H MET 60 0.348 -4.967 18.217 925 HA MET 60 HA MET 60 0.067 -4.760 21.164 926 HB2 MET 60 HB2 MET 60 -1.768 -3.824 18.918 927 HB3 MET 60 HB3 MET 60 -2.240 -3.826 20.613 928 HG2 MET 60 HG2 MET 60 -0.432 -2.262 21.131 929 HG3 MET 60 HG3 MET 60 0.075 -2.271 19.444 930 HE1 MET 60 HE1 MET 60 -2.791 -1.218 21.964 931 HE2 MET 60 HE2 MET 60 -3.678 -2.219 20.816 932 HE3 MET 60 HE3 MET 60 -3.956 -0.475 20.870 933 H THR 61 H THR 61 -2.299 -5.785 18.689 934 HA THR 61 HA THR 61 -2.055 -8.594 19.347 935 HB THR 61 HB THR 61 -4.780 -7.359 19.687 936 HG1 THR 61 HG1 THR 61 -3.557 -6.596 21.414 937 HG21 THR 61 HG21 THR 61 -4.780 -9.759 19.131 938 HG22 THR 61 HG22 THR 61 -5.367 -9.487 20.770 939 HG23 THR 61 HG23 THR 61 -3.725 -10.076 20.513 940 H ALA 62 H ALA 62 -2.776 -9.848 17.695 941 HA ALA 62 HA ALA 62 -4.472 -9.256 15.572 942 HB1 ALA 62 HB1 ALA 62 -2.804 -7.538 14.888 943 HB2 ALA 62 HB2 ALA 62 -2.889 -8.838 13.700 944 HB3 ALA 62 HB3 ALA 62 -1.540 -8.768 14.838 Start of MODEL 8 1 H MET 1 H MET 1 -12.743 6.879 10.813 2 HA MET 1 HA MET 1 -12.238 8.185 8.862 3 HB2 MET 1 HB2 MET 1 -11.224 10.120 10.080 4 HB3 MET 1 HB3 MET 1 -9.843 9.128 10.521 5 HG2 MET 1 HG2 MET 1 -9.249 8.930 8.123 6 HG3 MET 1 HG3 MET 1 -10.612 9.966 7.711 7 HE1 MET 1 HE1 MET 1 -10.463 12.129 10.155 8 HE2 MET 1 HE2 MET 1 -10.779 12.539 8.467 9 HE3 MET 1 HE3 MET 1 -9.508 13.376 9.353 10 H TYR 2 H TYR 2 -10.761 7.290 7.270 11 HA TYR 2 HA TYR 2 -9.712 4.725 7.754 12 HB2 TYR 2 HB2 TYR 2 -8.431 5.178 5.505 13 HB3 TYR 2 HB3 TYR 2 -10.177 5.033 5.513 14 HD1 TYR 2 HD1 TYR 2 -7.641 7.838 5.911 15 HD2 TYR 2 HD2 TYR 2 -11.274 6.499 4.114 16 HE1 TYR 2 HE1 TYR 2 -7.838 9.970 4.687 17 HE2 TYR 2 HE2 TYR 2 -11.470 8.615 2.904 18 HH TYR 2 HH TYR 2 -8.968 10.781 2.587 19 H LYS 3 H LYS 3 -7.421 4.078 7.381 20 HA LYS 3 HA LYS 3 -5.358 5.680 8.511 21 HB2 LYS 3 HB2 LYS 3 -5.216 4.173 10.664 22 HB3 LYS 3 HB3 LYS 3 -6.334 5.522 10.642 23 HG2 LYS 3 HG2 LYS 3 -7.330 3.532 11.701 24 HG3 LYS 3 HG3 LYS 3 -8.231 4.026 10.268 25 HD2 LYS 3 HD2 LYS 3 -7.172 2.209 8.963 26 HD3 LYS 3 HD3 LYS 3 -6.221 1.743 10.374 27 HE2 LYS 3 HE2 LYS 3 -9.250 1.646 10.203 28 HE3 LYS 3 HE3 LYS 3 -8.173 0.261 10.015 29 HZ1 LYS 3 HZ1 LYS 3 -7.388 0.629 12.273 30 HZ2 LYS 3 HZ2 LYS 3 -9.056 0.377 12.237 31 HZ3 LYS 3 HZ3 LYS 3 -8.444 1.936 12.451 32 H PHE 4 H PHE 4 -3.533 4.117 9.332 33 HA PHE 4 HA PHE 4 -3.083 2.091 7.241 34 HB2 PHE 4 HB2 PHE 4 -1.117 3.602 9.018 35 HB3 PHE 4 HB3 PHE 4 -0.664 2.392 7.823 36 HD1 PHE 4 HD1 PHE 4 -1.888 5.847 8.304 37 HD2 PHE 4 HD2 PHE 4 -0.743 2.898 5.426 38 HE1 PHE 4 HE1 PHE 4 -1.758 7.584 6.571 39 HE2 PHE 4 HE2 PHE 4 -0.602 4.647 3.708 40 HZ PHE 4 HZ PHE 4 -1.110 6.984 4.279 41 H GLU 5 H GLU 5 -3.384 0.062 7.883 42 HA GLU 5 HA GLU 5 -3.145 -0.691 10.732 43 HB2 GLU 5 HB2 GLU 5 -4.414 -2.143 8.374 44 HB3 GLU 5 HB3 GLU 5 -4.214 -2.868 9.963 45 HG2 GLU 5 HG2 GLU 5 -5.614 -1.016 10.912 46 HG3 GLU 5 HG3 GLU 5 -5.911 -0.464 9.258 47 H ILE 6 H ILE 6 -1.154 -1.369 11.315 48 HA ILE 6 HA ILE 6 0.631 -2.648 9.333 49 HB ILE 6 HB ILE 6 1.362 -1.556 12.094 50 HG12 ILE 6 HG12 ILE 6 2.759 0.078 10.514 51 HG13 ILE 6 HG13 ILE 6 1.511 -0.295 9.345 52 HG21 ILE 6 HG21 ILE 6 3.723 -1.871 11.364 53 HG22 ILE 6 HG22 ILE 6 3.156 -2.638 9.878 54 HG23 ILE 6 HG23 ILE 6 2.840 -3.397 11.440 55 HD11 ILE 6 HD11 ILE 6 1.077 0.932 12.059 56 HD12 ILE 6 HD12 ILE 6 -0.174 0.590 10.860 57 HD13 ILE 6 HD13 ILE 6 1.084 1.773 10.510 58 H TYR 7 H TYR 7 1.096 -4.738 9.524 59 HA TYR 7 HA TYR 7 0.763 -6.170 12.059 60 HB2 TYR 7 HB2 TYR 7 -0.640 -7.921 11.033 61 HB3 TYR 7 HB3 TYR 7 -1.446 -6.355 10.972 62 HD1 TYR 7 HD1 TYR 7 -1.605 -5.113 8.796 63 HD2 TYR 7 HD2 TYR 7 -0.036 -9.090 8.955 64 HE1 TYR 7 HE1 TYR 7 -1.861 -5.315 6.364 65 HE2 TYR 7 HE2 TYR 7 -0.283 -9.282 6.522 66 HH TYR 7 HH TYR 7 -1.509 -8.332 4.723 67 H GLN 8 H GLN 8 1.496 -8.572 11.684 68 HA GLN 8 HA GLN 8 3.547 -8.789 9.543 69 HB2 GLN 8 HB2 GLN 8 5.005 -10.052 10.909 70 HB3 GLN 8 HB3 GLN 8 4.457 -8.752 11.956 71 HG2 GLN 8 HG2 GLN 8 2.752 -10.413 12.882 72 HG3 GLN 8 HG3 GLN 8 3.636 -11.663 12.014 73 HE21 GLN 8 HE21 GLN 8 5.863 -12.049 12.613 74 HE22 GLN 8 HE22 GLN 8 6.414 -11.682 14.207 75 H ASP 9 H ASP 9 3.621 -10.835 8.438 76 HA ASP 9 HA ASP 9 0.992 -12.167 8.436 77 HB2 ASP 9 HB2 ASP 9 2.158 -10.891 6.389 78 HB3 ASP 9 HB3 ASP 9 3.024 -12.404 6.189 79 H LYS 10 H LYS 10 1.436 -14.497 7.244 80 HA LYS 10 HA LYS 10 1.943 -16.349 9.110 81 HB2 LYS 10 HB2 LYS 10 1.993 -18.006 7.327 82 HB3 LYS 10 HB3 LYS 10 0.877 -16.722 6.872 83 HG2 LYS 10 HG2 LYS 10 2.639 -15.733 5.408 84 HG3 LYS 10 HG3 LYS 10 3.715 -17.061 5.839 85 HD2 LYS 10 HD2 LYS 10 2.827 -17.667 3.731 86 HD3 LYS 10 HD3 LYS 10 1.916 -18.636 4.891 87 HE2 LYS 10 HE2 LYS 10 0.384 -17.740 3.244 88 HE3 LYS 10 HE3 LYS 10 0.072 -16.939 4.785 89 HZ1 LYS 10 HZ1 LYS 10 0.091 -15.359 2.991 90 HZ2 LYS 10 HZ2 LYS 10 1.652 -15.823 2.533 91 HZ3 LYS 10 HZ3 LYS 10 1.397 -15.055 4.015 92 H ALA 11 H ALA 11 4.423 -14.921 7.071 93 HA ALA 11 HA ALA 11 6.502 -16.844 7.943 94 HB1 ALA 11 HB1 ALA 11 6.439 -14.806 5.693 95 HB2 ALA 11 HB2 ALA 11 6.241 -16.555 5.534 96 HB3 ALA 11 HB3 ALA 11 7.798 -15.891 6.033 97 H GLY 12 H GLY 12 5.342 -14.528 9.514 98 HA2 GLY 12 HA2 GLY 12 5.929 -12.777 10.869 99 HA3 GLY 12 HA3 GLY 12 7.610 -13.242 10.634 100 H GLU 13 H GLU 13 5.334 -12.353 8.063 101 HA GLU 13 HA GLU 13 7.323 -10.526 6.943 102 HB2 GLU 13 HB2 GLU 13 4.611 -11.466 5.962 103 HB3 GLU 13 HB3 GLU 13 5.602 -10.321 5.065 104 HG2 GLU 13 HG2 GLU 13 7.278 -11.986 4.663 105 HG3 GLU 13 HG3 GLU 13 6.524 -13.103 5.802 106 H TYR 14 H TYR 14 7.267 -8.850 8.532 107 HA TYR 14 HA TYR 14 5.132 -7.278 9.184 108 HB2 TYR 14 HB2 TYR 14 8.049 -6.560 8.823 109 HB3 TYR 14 HB3 TYR 14 6.868 -5.353 9.333 110 HD1 TYR 14 HD1 TYR 14 5.620 -5.646 11.475 111 HD2 TYR 14 HD2 TYR 14 8.785 -8.298 10.396 112 HE1 TYR 14 HE1 TYR 14 5.746 -6.440 13.794 113 HE2 TYR 14 HE2 TYR 14 8.896 -9.098 12.717 114 HH TYR 14 HH TYR 14 6.484 -8.459 15.003 115 H ARG 15 H ARG 15 3.747 -6.494 8.102 116 HA ARG 15 HA ARG 15 4.036 -5.176 5.486 117 HB2 ARG 15 HB2 ARG 15 1.864 -7.138 6.341 118 HB3 ARG 15 HB3 ARG 15 1.824 -6.192 4.857 119 HG2 ARG 15 HG2 ARG 15 3.615 -7.444 3.891 120 HG3 ARG 15 HG3 ARG 15 4.018 -8.201 5.438 121 HD2 ARG 15 HD2 ARG 15 1.926 -9.416 5.454 122 HD3 ARG 15 HD3 ARG 15 1.375 -8.572 4.006 123 HE ARG 15 HE ARG 15 3.821 -10.138 3.735 124 HH11 ARG 15 HH11 ARG 15 0.339 -10.057 3.217 125 HH12 ARG 15 HH12 ARG 15 0.349 -11.445 2.179 126 HH21 ARG 15 HH21 ARG 15 3.782 -11.973 2.388 127 HH22 ARG 15 HH22 ARG 15 2.278 -12.521 1.726 128 H PHE 16 H PHE 16 1.920 -3.988 5.033 129 HA PHE 16 HA PHE 16 0.223 -3.201 7.166 130 HB2 PHE 16 HB2 PHE 16 0.814 -0.715 7.041 131 HB3 PHE 16 HB3 PHE 16 1.965 -1.729 7.893 132 HD1 PHE 16 HD1 PHE 16 4.082 -2.514 6.552 133 HD2 PHE 16 HD2 PHE 16 1.609 0.754 5.349 134 HE1 PHE 16 HE1 PHE 16 5.931 -1.612 5.214 135 HE2 PHE 16 HE2 PHE 16 3.469 1.644 4.018 136 HZ PHE 16 HZ PHE 16 5.622 0.467 3.940 137 H ARG 17 H ARG 17 -1.301 -1.518 6.425 138 HA ARG 17 HA ARG 17 -1.708 -1.390 3.507 139 HB2 ARG 17 HB2 ARG 17 -4.031 -2.186 3.737 140 HB3 ARG 17 HB3 ARG 17 -2.884 -3.410 4.269 141 HG2 ARG 17 HG2 ARG 17 -3.349 -2.725 6.646 142 HG3 ARG 17 HG3 ARG 17 -4.613 -1.653 6.030 143 HD2 ARG 17 HD2 ARG 17 -5.489 -3.852 6.824 144 HD3 ARG 17 HD3 ARG 17 -5.844 -3.540 5.119 145 HE ARG 17 HE ARG 17 -3.503 -4.923 5.023 146 HH11 ARG 17 HH11 ARG 17 -6.590 -5.642 6.535 147 HH12 ARG 17 HH12 ARG 17 -6.408 -7.354 6.329 148 HH21 ARG 17 HH21 ARG 17 -3.302 -7.137 4.749 149 HH22 ARG 17 HH22 ARG 17 -4.558 -8.192 5.313 150 H PHE 18 H PHE 18 -3.619 -0.006 2.977 151 HA PHE 18 HA PHE 18 -4.248 2.040 5.029 152 HB2 PHE 18 HB2 PHE 18 -2.744 3.073 3.350 153 HB3 PHE 18 HB3 PHE 18 -3.801 2.532 2.054 154 HD1 PHE 18 HD1 PHE 18 -4.476 4.293 5.316 155 HD2 PHE 18 HD2 PHE 18 -4.753 4.413 1.053 156 HE1 PHE 18 HE1 PHE 18 -5.661 6.431 5.447 157 HE2 PHE 18 HE2 PHE 18 -5.907 6.581 1.173 158 HZ PHE 18 HZ PHE 18 -6.398 7.570 3.387 159 H LYS 19 H LYS 19 -6.311 2.500 5.210 160 HA LYS 19 HA LYS 19 -8.255 0.747 3.876 161 HB2 LYS 19 HB2 LYS 19 -8.375 2.343 6.486 162 HB3 LYS 19 HB3 LYS 19 -9.682 1.328 5.871 163 HG2 LYS 19 HG2 LYS 19 -6.904 0.325 6.606 164 HG3 LYS 19 HG3 LYS 19 -8.329 0.215 7.646 165 HD2 LYS 19 HD2 LYS 19 -8.099 -1.053 4.885 166 HD3 LYS 19 HD3 LYS 19 -7.815 -1.907 6.401 167 HE2 LYS 19 HE2 LYS 19 -10.144 -1.513 7.078 168 HE3 LYS 19 HE3 LYS 19 -10.444 -0.592 5.605 169 HZ1 LYS 19 HZ1 LYS 19 -11.267 -2.860 5.468 170 HZ2 LYS 19 HZ2 LYS 19 -9.713 -3.463 5.732 171 HZ3 LYS 19 HZ3 LYS 19 -10.043 -2.593 4.329 172 H ALA 20 H ALA 20 -10.519 1.868 4.047 173 HA ALA 20 HA ALA 20 -10.500 4.672 3.156 174 HB1 ALA 20 HB1 ALA 20 -12.005 2.451 1.747 175 HB2 ALA 20 HB2 ALA 20 -10.608 3.304 1.104 176 HB3 ALA 20 HB3 ALA 20 -12.122 4.167 1.377 177 H SER 21 H SER 21 -12.647 5.657 3.409 178 HA SER 21 HA SER 21 -13.699 5.564 5.883 179 HB2 SER 21 HB2 SER 21 -15.268 6.333 3.388 180 HB3 SER 21 HB3 SER 21 -15.571 6.910 5.031 181 HG SER 21 HG SER 21 -14.342 8.399 3.796 182 H ASN 22 H ASN 22 -14.704 3.424 3.284 183 HA ASN 22 HA ASN 22 -17.152 2.509 4.590 184 HB2 ASN 22 HB2 ASN 22 -15.778 1.513 2.059 185 HB3 ASN 22 HB3 ASN 22 -17.393 1.056 2.595 186 HD21 ASN 22 HD21 ASN 22 -16.402 2.401 0.144 187 HD22 ASN 22 HD22 ASN 22 -17.355 3.844 0.010 188 H GLY 23 H GLY 23 -14.083 1.867 5.379 189 HA2 GLY 23 HA2 GLY 23 -12.954 0.178 6.425 190 HA3 GLY 23 HA3 GLY 23 -14.466 -0.708 6.527 191 H GLU 24 H GLU 24 -13.105 0.421 3.533 192 HA GLU 24 HA GLU 24 -12.528 -2.361 2.655 193 HB2 GLU 24 HB2 GLU 24 -12.728 -1.460 0.319 194 HB3 GLU 24 HB3 GLU 24 -14.216 -1.347 1.251 195 HG2 GLU 24 HG2 GLU 24 -13.827 1.039 1.637 196 HG3 GLU 24 HG3 GLU 24 -12.302 0.942 0.755 197 H THR 25 H THR 25 -10.512 -2.843 1.772 198 HA THR 25 HA THR 25 -8.350 -0.879 2.247 199 HB THR 25 HB THR 25 -8.166 -3.880 1.738 200 HG1 THR 25 HG1 THR 25 -8.292 -4.179 3.812 201 HG21 THR 25 HG21 THR 25 -6.033 -1.953 2.713 202 HG22 THR 25 HG22 THR 25 -6.075 -2.725 1.125 203 HG23 THR 25 HG23 THR 25 -5.856 -3.706 2.572 204 H MET 26 H MET 26 -7.005 -0.278 0.684 205 HA MET 26 HA MET 26 -7.725 -0.904 -2.139 206 HB2 MET 26 HB2 MET 26 -6.869 1.476 -2.612 207 HB3 MET 26 HB3 MET 26 -8.426 1.305 -1.827 208 HG2 MET 26 HG2 MET 26 -7.230 3.112 -0.818 209 HG3 MET 26 HG3 MET 26 -7.346 1.802 0.355 210 HE1 MET 26 HE1 MET 26 -3.513 2.754 -2.025 211 HE2 MET 26 HE2 MET 26 -5.062 3.566 -2.290 212 HE3 MET 26 HE3 MET 26 -4.862 1.864 -2.731 213 H PHE 27 H PHE 27 -5.003 -0.570 0.108 214 HA PHE 27 HA PHE 27 -3.786 -2.611 -1.499 215 HB2 PHE 27 HB2 PHE 27 -1.531 -1.623 -1.714 216 HB3 PHE 27 HB3 PHE 27 -2.752 -0.828 -2.684 217 HD1 PHE 27 HD1 PHE 27 -2.941 0.378 0.717 218 HD2 PHE 27 HD2 PHE 27 -0.737 0.685 -2.927 219 HE1 PHE 27 HE1 PHE 27 -2.157 2.628 1.339 220 HE2 PHE 27 HE2 PHE 27 0.014 2.922 -2.291 221 HZ PHE 27 HZ PHE 27 -0.703 3.893 -0.153 222 H SER 28 H SER 28 -1.786 -3.401 -0.606 223 HA SER 28 HA SER 28 -1.218 -3.254 2.196 224 HB2 SER 28 HB2 SER 28 -3.520 -4.340 2.218 225 HB3 SER 28 HB3 SER 28 -2.845 -5.698 1.319 226 HG SER 28 HG SER 28 -1.693 -6.296 3.066 227 H SER 29 H SER 29 0.190 -5.146 2.907 228 HA SER 29 HA SER 29 1.707 -6.741 2.727 229 HB2 SER 29 HB2 SER 29 0.134 -7.567 0.262 230 HB3 SER 29 HB3 SER 29 1.239 -8.600 1.174 231 HG SER 29 HG SER 29 -1.296 -8.294 1.612 232 H GLU 30 H GLU 30 2.987 -4.594 2.008 233 HA GLU 30 HA GLU 30 4.636 -5.088 -0.300 234 HB2 GLU 30 HB2 GLU 30 4.750 -2.843 0.371 235 HB3 GLU 30 HB3 GLU 30 4.789 -3.234 2.077 236 HG2 GLU 30 HG2 GLU 30 6.876 -2.202 1.287 237 HG3 GLU 30 HG3 GLU 30 7.129 -3.801 1.971 238 H GLY 31 H GLY 31 5.104 -5.653 3.284 239 HA2 GLY 31 HA2 GLY 31 6.436 -7.209 4.341 240 HA3 GLY 31 HA3 GLY 31 6.858 -7.907 2.777 241 H TYR 32 H TYR 32 7.333 -4.838 4.608 242 HA TYR 32 HA TYR 32 9.379 -3.964 2.771 243 HB2 TYR 32 HB2 TYR 32 7.701 -2.401 3.799 244 HB3 TYR 32 HB3 TYR 32 8.430 -2.676 5.375 245 HD1 TYR 32 HD1 TYR 32 9.583 -1.725 1.909 246 HD2 TYR 32 HD2 TYR 32 9.809 -0.913 6.100 247 HE1 TYR 32 HE1 TYR 32 11.068 0.183 1.464 248 HE2 TYR 32 HE2 TYR 32 11.292 0.989 5.647 249 HH TYR 32 HH TYR 32 11.802 2.216 2.475 250 H LYS 33 H LYS 33 9.364 -4.448 6.339 251 HA LYS 33 HA LYS 33 11.635 -6.147 6.352 252 HB2 LYS 33 HB2 LYS 33 12.892 -4.069 5.879 253 HB3 LYS 33 HB3 LYS 33 12.177 -3.283 7.276 254 HG2 LYS 33 HG2 LYS 33 14.497 -3.966 7.715 255 HG3 LYS 33 HG3 LYS 33 13.378 -4.807 8.788 256 HD2 LYS 33 HD2 LYS 33 15.126 -6.335 7.958 257 HD3 LYS 33 HD3 LYS 33 13.533 -6.832 7.394 258 HE2 LYS 33 HE2 LYS 33 13.986 -5.808 5.192 259 HE3 LYS 33 HE3 LYS 33 15.588 -5.313 5.743 260 HZ1 LYS 33 HZ1 LYS 33 15.604 -7.360 4.421 261 HZ2 LYS 33 HZ2 LYS 33 14.636 -8.120 5.579 262 HZ3 LYS 33 HZ3 LYS 33 16.198 -7.612 5.982 263 H ALA 34 H ALA 34 10.526 -3.577 8.585 264 HA ALA 34 HA ALA 34 9.795 -5.577 10.633 265 HB1 ALA 34 HB1 ALA 34 12.163 -4.984 11.046 266 HB2 ALA 34 HB2 ALA 34 11.127 -4.367 12.334 267 HB3 ALA 34 HB3 ALA 34 11.735 -3.272 11.091 268 H LYS 35 H LYS 35 8.744 -4.250 12.624 269 HA LYS 35 HA LYS 35 6.539 -2.828 11.601 270 HB2 LYS 35 HB2 LYS 35 6.256 -4.115 13.598 271 HB3 LYS 35 HB3 LYS 35 7.610 -3.342 14.399 272 HG2 LYS 35 HG2 LYS 35 5.218 -1.670 13.680 273 HG3 LYS 35 HG3 LYS 35 5.086 -2.786 15.036 274 HD2 LYS 35 HD2 LYS 35 6.980 -1.665 16.163 275 HD3 LYS 35 HD3 LYS 35 7.177 -0.581 14.786 276 HE2 LYS 35 HE2 LYS 35 5.990 0.575 16.563 277 HE3 LYS 35 HE3 LYS 35 4.891 0.318 15.205 278 HZ1 LYS 35 HZ1 LYS 35 3.810 -0.188 17.259 279 HZ2 LYS 35 HZ2 LYS 35 5.016 -1.281 17.694 280 HZ3 LYS 35 HZ3 LYS 35 4.006 -1.619 16.382 281 H ALA 36 H ALA 36 9.435 -1.770 13.427 282 HA ALA 36 HA ALA 36 8.881 0.973 13.552 283 HB1 ALA 36 HB1 ALA 36 10.673 -0.074 14.864 284 HB2 ALA 36 HB2 ALA 36 11.308 1.285 13.937 285 HB3 ALA 36 HB3 ALA 36 11.605 -0.368 13.396 286 H SER 37 H SER 37 10.467 -0.944 11.034 287 HA SER 37 HA SER 37 11.234 1.175 9.293 288 HB2 SER 37 HB2 SER 37 10.650 -1.702 8.464 289 HB3 SER 37 HB3 SER 37 11.812 -0.575 7.751 290 HG SER 37 HG SER 37 12.547 -0.747 10.217 291 H ALA 38 H ALA 38 8.338 -0.722 9.789 292 HA ALA 38 HA ALA 38 6.964 -0.161 7.379 293 HB1 ALA 38 HB1 ALA 38 4.971 -1.042 8.528 294 HB2 ALA 38 HB2 ALA 38 5.817 -0.985 10.076 295 HB3 ALA 38 HB3 ALA 38 6.370 -2.081 8.810 296 H ILE 39 H ILE 39 6.640 1.260 10.704 297 HA ILE 39 HA ILE 39 4.890 3.327 10.097 298 HB ILE 39 HB ILE 39 6.964 2.950 12.277 299 HG12 ILE 39 HG12 ILE 39 4.936 3.051 13.772 300 HG13 ILE 39 HG13 ILE 39 3.924 3.326 12.362 301 HG21 ILE 39 HG21 ILE 39 6.286 5.069 13.396 302 HG22 ILE 39 HG22 ILE 39 5.402 5.534 11.938 303 HG23 ILE 39 HG23 ILE 39 7.156 5.338 11.885 304 HD11 ILE 39 HD11 ILE 39 3.803 1.032 13.186 305 HD12 ILE 39 HD12 ILE 39 5.533 0.830 12.898 306 HD13 ILE 39 HD13 ILE 39 4.435 1.096 11.540 307 H HIS 40 H HIS 40 8.478 3.334 9.924 308 HA HIS 40 HA HIS 40 8.833 6.039 9.204 309 HB2 HIS 40 HB2 HIS 40 10.568 3.607 8.641 310 HB3 HIS 40 HB3 HIS 40 11.068 5.240 8.220 311 HD1 HIS 40 HD1 HIS 40 10.551 6.838 10.672 312 HD2 HIS 40 HD2 HIS 40 11.936 2.932 10.863 313 HE1 HIS 40 HE1 HIS 40 11.715 6.646 12.887 314 HE2 HIS 40 HE2 HIS 40 12.620 4.295 12.945 315 H ALA 41 H ALA 41 8.376 3.137 7.156 316 HA ALA 41 HA ALA 41 8.438 4.286 4.642 317 HB1 ALA 41 HB1 ALA 41 6.643 2.033 5.627 318 HB2 ALA 41 HB2 ALA 41 8.309 1.847 5.070 319 HB3 ALA 41 HB3 ALA 41 7.056 2.367 3.940 320 H ILE 42 H ILE 42 5.593 3.778 6.752 321 HA ILE 42 HA ILE 42 3.667 5.171 5.288 322 HB ILE 42 HB ILE 42 3.850 4.785 8.301 323 HG12 ILE 42 HG12 ILE 42 2.237 3.162 6.281 324 HG13 ILE 42 HG13 ILE 42 3.869 2.717 6.768 325 HG21 ILE 42 HG21 ILE 42 2.225 6.571 7.804 326 HG22 ILE 42 HG22 ILE 42 1.382 5.124 8.351 327 HG23 ILE 42 HG23 ILE 42 1.401 5.535 6.634 328 HD11 ILE 42 HD11 ILE 42 1.519 2.963 8.619 329 HD12 ILE 42 HD12 ILE 42 3.152 2.422 9.034 330 HD13 ILE 42 HD13 ILE 42 2.158 1.469 7.933 331 H GLU 43 H GLU 43 6.176 6.429 7.390 332 HA GLU 43 HA GLU 43 5.147 9.027 7.806 333 HB2 GLU 43 HB2 GLU 43 7.985 7.970 7.878 334 HB3 GLU 43 HB3 GLU 43 7.613 9.666 8.189 335 HG2 GLU 43 HG2 GLU 43 6.126 9.013 10.047 336 HG3 GLU 43 HG3 GLU 43 6.481 7.315 9.737 337 H SER 44 H SER 44 6.965 7.598 5.072 338 HA SER 44 HA SER 44 7.354 9.892 3.516 339 HB2 SER 44 HB2 SER 44 6.686 7.042 2.788 340 HB3 SER 44 HB3 SER 44 6.785 8.256 1.516 341 HG SER 44 HG SER 44 8.767 7.068 3.021 342 H ILE 45 H ILE 45 4.352 8.100 4.093 343 HA ILE 45 HA ILE 45 2.866 9.287 1.967 344 HB ILE 45 HB ILE 45 1.409 8.163 4.418 345 HG12 ILE 45 HG12 ILE 45 3.239 6.517 3.855 346 HG13 ILE 45 HG13 ILE 45 1.630 5.872 3.545 347 HG21 ILE 45 HG21 ILE 45 -0.171 7.403 2.644 348 HG22 ILE 45 HG22 ILE 45 0.903 8.099 1.410 349 HG23 ILE 45 HG23 ILE 45 0.099 9.149 2.589 350 HD11 ILE 45 HD11 ILE 45 3.125 5.264 1.795 351 HD12 ILE 45 HD12 ILE 45 3.558 6.943 1.511 352 HD13 ILE 45 HD13 ILE 45 1.921 6.376 1.160 353 H LYS 46 H LYS 46 3.077 9.825 5.463 354 HA LYS 46 HA LYS 46 1.110 11.729 5.804 355 HB2 LYS 46 HB2 LYS 46 3.620 11.814 7.503 356 HB3 LYS 46 HB3 LYS 46 1.955 12.101 7.981 357 HG2 LYS 46 HG2 LYS 46 3.383 9.473 7.556 358 HG3 LYS 46 HG3 LYS 46 2.534 10.048 8.989 359 HD2 LYS 46 HD2 LYS 46 1.290 9.100 6.372 360 HD3 LYS 46 HD3 LYS 46 1.255 8.260 7.921 361 HE2 LYS 46 HE2 LYS 46 -0.054 10.927 7.363 362 HE3 LYS 46 HE3 LYS 46 -0.868 9.381 7.367 363 HZ1 LYS 46 HZ1 LYS 46 0.526 10.615 9.651 364 HZ2 LYS 46 HZ2 LYS 46 -0.257 9.119 9.678 365 HZ3 LYS 46 HZ3 LYS 46 -1.143 10.536 9.439 366 H ARG 47 H ARG 47 4.236 12.089 4.546 367 HA ARG 47 HA ARG 47 4.808 14.815 4.980 368 HB2 ARG 47 HB2 ARG 47 5.724 12.902 2.823 369 HB3 ARG 47 HB3 ARG 47 6.319 14.559 2.945 370 HG2 ARG 47 HG2 ARG 47 7.020 14.005 5.326 371 HG3 ARG 47 HG3 ARG 47 6.682 12.315 4.942 372 HD2 ARG 47 HD2 ARG 47 8.545 14.039 3.317 373 HD3 ARG 47 HD3 ARG 47 9.093 13.090 4.695 374 HE ARG 47 HE ARG 47 7.734 11.379 2.938 375 HH11 ARG 47 HH11 ARG 47 10.659 13.311 2.827 376 HH12 ARG 47 HH12 ARG 47 11.542 12.134 1.909 377 HH21 ARG 47 HH21 ARG 47 8.924 9.834 1.722 378 HH22 ARG 47 HH22 ARG 47 10.561 10.191 1.282 379 H ASN 48 H ASN 48 3.364 13.256 2.097 380 HA ASN 48 HA ASN 48 1.909 15.500 1.154 381 HB2 ASN 48 HB2 ASN 48 4.294 16.413 0.991 382 HB3 ASN 48 HB3 ASN 48 4.586 15.244 -0.286 383 HD21 ASN 48 HD21 ASN 48 2.714 18.060 0.637 384 HD22 ASN 48 HD22 ASN 48 2.363 18.602 -0.961 385 H SER 49 H SER 49 2.015 12.423 1.148 386 HA SER 49 HA SER 49 2.223 11.520 -1.553 387 HB2 SER 49 HB2 SER 49 2.440 10.046 0.420 388 HB3 SER 49 HB3 SER 49 0.723 10.248 0.747 389 HG SER 49 HG SER 49 2.008 8.809 -1.258 390 H ALA 50 H ALA 50 -0.539 12.591 0.427 391 HA ALA 50 HA ALA 50 -2.610 12.222 -1.373 392 HB1 ALA 50 HB1 ALA 50 -2.936 12.919 0.962 393 HB2 ALA 50 HB2 ALA 50 -3.790 14.002 -0.140 394 HB3 ALA 50 HB3 ALA 50 -2.265 14.509 0.595 395 H GLY 51 H GLY 51 -0.171 14.772 -1.283 396 HA2 GLY 51 HA2 GLY 51 -1.270 16.156 -3.637 397 HA3 GLY 51 HA3 GLY 51 0.066 16.686 -2.629 398 H ALA 52 H ALA 52 0.766 13.532 -3.210 399 HA ALA 52 HA ALA 52 2.880 14.020 -5.043 400 HB1 ALA 52 HB1 ALA 52 3.244 11.579 -4.968 401 HB2 ALA 52 HB2 ALA 52 1.671 11.360 -4.179 402 HB3 ALA 52 HB3 ALA 52 2.966 12.228 -3.349 403 H ASP 53 H ASP 53 3.182 12.808 -7.145 404 HA ASP 53 HA ASP 53 0.803 13.125 -8.826 405 HB2 ASP 53 HB2 ASP 53 3.034 14.106 -9.502 406 HB3 ASP 53 HB3 ASP 53 3.652 12.462 -9.680 407 H THR 54 H THR 54 0.141 11.426 -10.348 408 HA THR 54 HA THR 54 0.847 8.663 -9.492 409 HB THR 54 HB THR 54 -1.830 9.674 -10.552 410 HG1 THR 54 HG1 THR 54 -0.911 8.967 -7.943 411 HG21 THR 54 HG21 THR 54 -1.472 7.295 -11.155 412 HG22 THR 54 HG22 THR 54 -2.705 7.439 -9.896 413 HG23 THR 54 HG23 THR 54 -1.071 6.924 -9.475 414 H VAL 55 H VAL 55 2.175 7.863 -10.946 415 HA VAL 55 HA VAL 55 1.960 8.487 -13.843 416 HB VAL 55 HB VAL 55 4.452 7.479 -12.392 417 HG11 VAL 55 HG11 VAL 55 5.670 8.309 -14.372 418 HG12 VAL 55 HG12 VAL 55 4.142 8.792 -15.111 419 HG13 VAL 55 HG13 VAL 55 4.471 7.086 -14.802 420 HG21 VAL 55 HG21 VAL 55 3.868 9.614 -11.384 421 HG22 VAL 55 HG22 VAL 55 3.744 10.375 -12.973 422 HG23 VAL 55 HG23 VAL 55 5.309 9.798 -12.386 423 H ASP 56 H ASP 56 1.433 6.811 -15.143 424 HA ASP 56 HA ASP 56 1.497 4.034 -14.134 425 HB2 ASP 56 HB2 ASP 56 -0.701 4.983 -14.888 426 HB3 ASP 56 HB3 ASP 56 -0.046 5.164 -16.509 427 H LEU 57 H LEU 57 3.009 2.741 -14.867 428 HA LEU 57 HA LEU 57 4.540 3.210 -17.320 429 HB2 LEU 57 HB2 LEU 57 5.021 1.089 -15.193 430 HB3 LEU 57 HB3 LEU 57 6.173 1.703 -16.372 431 HG LEU 57 HG LEU 57 5.027 3.355 -14.078 432 HD11 LEU 57 HD11 LEU 57 7.187 3.088 -12.950 433 HD12 LEU 57 HD12 LEU 57 7.726 1.983 -14.217 434 HD13 LEU 57 HD13 LEU 57 6.373 1.540 -13.173 435 HD21 LEU 57 HD21 LEU 57 7.321 3.962 -15.977 436 HD22 LEU 57 HD22 LEU 57 6.834 4.952 -14.599 437 HD23 LEU 57 HD23 LEU 57 5.737 4.746 -15.960 438 H THR 58 H THR 58 1.947 1.097 -16.306 439 HA THR 58 HA THR 58 2.974 -1.283 -17.642 440 HB THR 58 HB THR 58 1.926 -1.777 -15.602 441 HG1 THR 58 HG1 THR 58 1.227 -3.002 -17.656 442 HG21 THR 58 HG21 THR 58 -0.364 -1.256 -14.978 443 HG22 THR 58 HG22 THR 58 -0.600 -0.369 -16.487 444 HG23 THR 58 HG23 THR 58 0.545 0.227 -15.281 445 H THR 59 H THR 59 0.742 1.271 -18.493 446 HA THR 59 HA THR 59 -0.785 -0.329 -20.392 447 HB THR 59 HB THR 59 -1.835 1.887 -21.012 448 HG1 THR 59 HG1 THR 59 -0.610 3.084 -18.790 449 HG21 THR 59 HG21 THR 59 -2.848 0.514 -19.214 450 HG22 THR 59 HG22 THR 59 -3.040 2.238 -18.891 451 HG23 THR 59 HG23 THR 59 -1.814 1.311 -18.023 452 H MET 60 H MET 60 2.021 1.729 -20.339 453 HA MET 60 HA MET 60 2.133 2.214 -23.181 454 HB2 MET 60 HB2 MET 60 3.000 3.866 -21.512 455 HB3 MET 60 HB3 MET 60 4.255 2.723 -21.044 456 HG2 MET 60 HG2 MET 60 5.082 4.467 -22.589 457 HG3 MET 60 HG3 MET 60 5.244 2.843 -23.266 458 HE1 MET 60 HE1 MET 60 4.441 4.707 -26.576 459 HE2 MET 60 HE2 MET 60 5.477 3.530 -25.767 460 HE3 MET 60 HE3 MET 60 5.527 5.229 -25.289 461 H THR 61 H THR 61 3.672 0.000 -20.859 462 HA THR 61 HA THR 61 5.624 -1.064 -22.642 463 HB THR 61 HB THR 61 5.745 -2.972 -20.951 464 HG1 THR 61 HG1 THR 61 3.483 -2.569 -20.214 465 HG21 THR 61 HG21 THR 61 6.020 -0.149 -19.853 466 HG22 THR 61 HG22 THR 61 7.242 -1.016 -20.786 467 HG23 THR 61 HG23 THR 61 6.779 -1.596 -19.185 468 H ALA 62 H ALA 62 5.171 -2.127 -24.419 469 HA ALA 62 HA ALA 62 3.277 -4.330 -24.555 470 HB1 ALA 62 HB1 ALA 62 2.838 -1.841 -26.268 471 HB2 ALA 62 HB2 ALA 62 1.810 -2.366 -24.935 472 HB3 ALA 62 HB3 ALA 62 1.934 -3.358 -26.388 473 H MET 1 H MET 1 9.801 16.709 -7.475 474 HA MET 1 HA MET 1 9.367 15.368 -5.524 475 HB2 MET 1 HB2 MET 1 7.636 16.980 -6.389 476 HB3 MET 1 HB3 MET 1 6.900 15.669 -7.301 477 HG2 MET 1 HG2 MET 1 6.416 14.492 -5.171 478 HG3 MET 1 HG3 MET 1 7.108 15.849 -4.285 479 HE1 MET 1 HE1 MET 1 6.102 18.372 -5.905 480 HE2 MET 1 HE2 MET 1 6.036 18.247 -4.146 481 HE3 MET 1 HE3 MET 1 4.603 18.736 -5.051 482 H TYR 2 H TYR 2 8.464 13.444 -4.605 483 HA TYR 2 HA TYR 2 8.636 11.039 -6.116 484 HB2 TYR 2 HB2 TYR 2 7.575 10.014 -3.994 485 HB3 TYR 2 HB3 TYR 2 9.162 10.753 -3.871 486 HD1 TYR 2 HD1 TYR 2 5.657 12.202 -3.657 487 HD2 TYR 2 HD2 TYR 2 9.419 11.614 -1.720 488 HE1 TYR 2 HE1 TYR 2 4.869 13.483 -1.716 489 HE2 TYR 2 HE2 TYR 2 8.630 12.890 0.208 490 HH TYR 2 HH TYR 2 6.941 14.569 0.731 491 H LYS 3 H LYS 3 6.765 9.400 -6.003 492 HA LYS 3 HA LYS 3 4.168 10.320 -6.613 493 HB2 LYS 3 HB2 LYS 3 4.339 9.792 -9.157 494 HB3 LYS 3 HB3 LYS 3 4.888 11.349 -8.583 495 HG2 LYS 3 HG2 LYS 3 6.426 10.648 -10.231 496 HG3 LYS 3 HG3 LYS 3 7.257 10.470 -8.684 497 HD2 LYS 3 HD2 LYS 3 7.017 8.080 -8.737 498 HD3 LYS 3 HD3 LYS 3 5.861 8.159 -10.071 499 HE2 LYS 3 HE2 LYS 3 8.061 7.414 -10.852 500 HE3 LYS 3 HE3 LYS 3 7.631 8.961 -11.578 501 HZ1 LYS 3 HZ1 LYS 3 9.922 8.901 -10.855 502 HZ2 LYS 3 HZ2 LYS 3 9.447 8.579 -9.270 503 HZ3 LYS 3 HZ3 LYS 3 9.057 10.059 -9.984 504 H PHE 4 H PHE 4 3.037 8.570 -8.095 505 HA PHE 4 HA PHE 4 3.525 5.954 -6.834 506 HB2 PHE 4 HB2 PHE 4 1.018 7.102 -8.151 507 HB3 PHE 4 HB3 PHE 4 1.141 5.486 -7.461 508 HD1 PHE 4 HD1 PHE 4 1.275 5.168 -5.022 509 HD2 PHE 4 HD2 PHE 4 0.779 9.082 -6.690 510 HE1 PHE 4 HE1 PHE 4 0.573 6.025 -2.834 511 HE2 PHE 4 HE2 PHE 4 0.091 9.921 -4.493 512 HZ PHE 4 HZ PHE 4 -0.015 8.395 -2.573 513 H GLU 5 H GLU 5 4.534 4.537 -8.088 514 HA GLU 5 HA GLU 5 4.435 4.731 -11.036 515 HB2 GLU 5 HB2 GLU 5 6.333 3.165 -9.227 516 HB3 GLU 5 HB3 GLU 5 6.378 3.134 -10.990 517 HG2 GLU 5 HG2 GLU 5 6.823 5.571 -11.003 518 HG3 GLU 5 HG3 GLU 5 6.801 5.570 -9.242 519 H ILE 6 H ILE 6 2.865 3.546 -11.949 520 HA ILE 6 HA ILE 6 1.794 1.132 -10.618 521 HB ILE 6 HB ILE 6 0.638 2.645 -13.002 522 HG12 ILE 6 HG12 ILE 6 -0.296 2.933 -10.113 523 HG13 ILE 6 HG13 ILE 6 0.867 4.034 -10.846 524 HG21 ILE 6 HG21 ILE 6 -1.466 1.449 -12.455 525 HG22 ILE 6 HG22 ILE 6 -0.654 0.610 -11.133 526 HG23 ILE 6 HG23 ILE 6 -0.154 0.313 -12.802 527 HD11 ILE 6 HD11 ILE 6 -0.787 4.658 -12.522 528 HD12 ILE 6 HD12 ILE 6 -1.353 4.948 -10.878 529 HD13 ILE 6 HD13 ILE 6 -1.947 3.554 -11.775 530 H TYR 7 H TYR 7 2.220 -0.805 -11.500 531 HA TYR 7 HA TYR 7 2.916 -1.071 -14.338 532 HB2 TYR 7 HB2 TYR 7 4.936 -2.382 -13.820 533 HB3 TYR 7 HB3 TYR 7 5.074 -0.752 -13.177 534 HD1 TYR 7 HD1 TYR 7 4.742 -0.356 -10.684 535 HD2 TYR 7 HD2 TYR 7 5.037 -4.306 -12.311 536 HE1 TYR 7 HE1 TYR 7 5.154 -1.263 -8.431 537 HE2 TYR 7 HE2 TYR 7 5.440 -5.198 -10.060 538 HH TYR 7 HH TYR 7 6.181 -4.508 -7.915 539 H GLN 8 H GLN 8 3.170 -3.535 -14.828 540 HA GLN 8 HA GLN 8 1.514 -5.221 -13.029 541 HB2 GLN 8 HB2 GLN 8 0.609 -6.449 -14.844 542 HB3 GLN 8 HB3 GLN 8 0.483 -4.764 -15.328 543 HG2 GLN 8 HG2 GLN 8 2.643 -5.132 -16.636 544 HG3 GLN 8 HG3 GLN 8 2.426 -6.848 -16.337 545 HE21 GLN 8 HE21 GLN 8 0.538 -7.877 -17.218 546 HE22 GLN 8 HE22 GLN 8 -0.252 -7.226 -18.609 547 H ASP 9 H ASP 9 2.308 -7.378 -12.656 548 HA ASP 9 HA ASP 9 5.242 -7.507 -12.910 549 HB2 ASP 9 HB2 ASP 9 3.943 -7.475 -10.635 550 HB3 ASP 9 HB3 ASP 9 3.517 -9.142 -10.997 551 H LYS 10 H LYS 10 5.833 -10.077 -12.601 552 HA LYS 10 HA LYS 10 5.964 -11.276 -14.990 553 HB2 LYS 10 HB2 LYS 10 7.231 -11.893 -12.946 554 HB3 LYS 10 HB3 LYS 10 5.803 -12.692 -12.304 555 HG2 LYS 10 HG2 LYS 10 5.902 -14.256 -14.307 556 HG3 LYS 10 HG3 LYS 10 7.459 -13.525 -14.704 557 HD2 LYS 10 HD2 LYS 10 6.794 -14.979 -12.111 558 HD3 LYS 10 HD3 LYS 10 7.716 -15.654 -13.458 559 HE2 LYS 10 HE2 LYS 10 8.549 -13.212 -11.857 560 HE3 LYS 10 HE3 LYS 10 9.153 -14.844 -11.579 561 HZ1 LYS 10 HZ1 LYS 10 9.981 -14.823 -13.894 562 HZ2 LYS 10 HZ2 LYS 10 10.712 -13.661 -12.907 563 HZ3 LYS 10 HZ3 LYS 10 9.526 -13.196 -14.017 564 H ALA 11 H ALA 11 3.278 -11.681 -12.765 565 HA ALA 11 HA ALA 11 2.022 -13.836 -14.378 566 HB1 ALA 11 HB1 ALA 11 0.581 -14.155 -12.373 567 HB2 ALA 11 HB2 ALA 11 1.426 -12.819 -11.583 568 HB3 ALA 11 HB3 ALA 11 2.299 -14.294 -11.991 569 H GLY 12 H GLY 12 2.102 -10.875 -15.007 570 HA2 GLY 12 HA2 GLY 12 0.804 -9.135 -15.740 571 HA3 GLY 12 HA3 GLY 12 -0.547 -10.258 -15.805 572 H GLU 13 H GLU 13 1.352 -9.470 -12.924 573 HA GLU 13 HA GLU 13 -1.123 -9.030 -11.425 574 HB2 GLU 13 HB2 GLU 13 1.790 -9.052 -10.558 575 HB3 GLU 13 HB3 GLU 13 0.434 -8.870 -9.450 576 HG2 GLU 13 HG2 GLU 13 -0.337 -11.097 -9.946 577 HG3 GLU 13 HG3 GLU 13 0.859 -11.273 -11.229 578 H TYR 14 H TYR 14 -1.822 -7.058 -12.345 579 HA TYR 14 HA TYR 14 -0.513 -4.664 -12.318 580 HB2 TYR 14 HB2 TYR 14 -3.459 -5.270 -11.939 581 HB3 TYR 14 HB3 TYR 14 -2.849 -3.611 -12.000 582 HD1 TYR 14 HD1 TYR 14 -1.949 -2.670 -14.049 583 HD2 TYR 14 HD2 TYR 14 -3.265 -6.731 -13.974 584 HE1 TYR 14 HE1 TYR 14 -1.771 -2.772 -16.487 585 HE2 TYR 14 HE2 TYR 14 -3.094 -6.827 -16.426 586 HH TYR 14 HH TYR 14 -1.474 -4.475 -18.247 587 H ARG 15 H ARG 15 0.519 -3.793 -10.956 588 HA ARG 15 HA ARG 15 -0.091 -3.614 -8.096 589 HB2 ARG 15 HB2 ARG 15 2.599 -4.265 -9.371 590 HB3 ARG 15 HB3 ARG 15 2.385 -3.854 -7.670 591 HG2 ARG 15 HG2 ARG 15 1.227 -5.889 -7.217 592 HG3 ARG 15 HG3 ARG 15 1.004 -6.236 -8.936 593 HD2 ARG 15 HD2 ARG 15 3.365 -6.609 -9.235 594 HD3 ARG 15 HD3 ARG 15 3.706 -6.073 -7.592 595 HE ARG 15 HE ARG 15 1.954 -8.371 -7.746 596 HH11 ARG 15 HH11 ARG 15 5.317 -7.324 -7.532 597 HH12 ARG 15 HH12 ARG 15 5.882 -8.876 -7.015 598 HH21 ARG 15 HH21 ARG 15 2.743 -10.388 -7.032 599 HH22 ARG 15 HH22 ARG 15 4.441 -10.599 -6.746 600 H PHE 16 H PHE 16 1.468 -1.939 -7.134 601 HA PHE 16 HA PHE 16 2.588 0.080 -8.727 602 HB2 PHE 16 HB2 PHE 16 1.151 1.988 -8.002 603 HB3 PHE 16 HB3 PHE 16 0.332 0.881 -9.083 604 HD1 PHE 16 HD1 PHE 16 -1.524 -0.534 -8.260 605 HD2 PHE 16 HD2 PHE 16 0.367 2.342 -5.729 606 HE1 PHE 16 HE1 PHE 16 -3.457 -0.598 -6.735 607 HE2 PHE 16 HE2 PHE 16 -1.564 2.258 -4.223 608 HZ PHE 16 HZ PHE 16 -3.472 0.801 -4.715 609 H ARG 17 H ARG 17 3.346 1.882 -7.365 610 HA ARG 17 HA ARG 17 3.859 1.205 -4.547 611 HB2 ARG 17 HB2 ARG 17 6.322 1.574 -4.921 612 HB3 ARG 17 HB3 ARG 17 5.683 0.133 -5.692 613 HG2 ARG 17 HG2 ARG 17 5.613 1.399 -7.866 614 HG3 ARG 17 HG3 ARG 17 6.432 2.735 -7.051 615 HD2 ARG 17 HD2 ARG 17 8.378 1.358 -6.618 616 HD3 ARG 17 HD3 ARG 17 7.550 -0.090 -7.210 617 HE ARG 17 HE ARG 17 7.991 2.175 -9.040 618 HH11 ARG 17 HH11 ARG 17 8.856 -1.109 -8.156 619 HH12 ARG 17 HH12 ARG 17 9.591 -1.447 -9.686 620 HH21 ARG 17 HH21 ARG 17 8.970 1.696 -11.042 621 HH22 ARG 17 HH22 ARG 17 9.641 0.117 -11.315 622 H PHE 18 H PHE 18 5.091 2.950 -3.451 623 HA PHE 18 HA PHE 18 4.758 5.635 -4.663 624 HB2 PHE 18 HB2 PHE 18 3.082 5.381 -2.852 625 HB3 PHE 18 HB3 PHE 18 4.347 4.893 -1.733 626 HD1 PHE 18 HD1 PHE 18 4.044 7.740 -4.177 627 HD2 PHE 18 HD2 PHE 18 4.592 6.551 -0.112 628 HE1 PHE 18 HE1 PHE 18 4.290 10.086 -3.513 629 HE2 PHE 18 HE2 PHE 18 4.808 8.906 0.565 630 HZ PHE 18 HZ PHE 18 4.703 10.674 -1.154 631 H LYS 19 H LYS 19 6.472 6.883 -4.549 632 HA LYS 19 HA LYS 19 9.029 5.679 -3.719 633 HB2 LYS 19 HB2 LYS 19 8.392 8.002 -5.610 634 HB3 LYS 19 HB3 LYS 19 9.989 7.297 -5.339 635 HG2 LYS 19 HG2 LYS 19 7.590 5.845 -6.533 636 HG3 LYS 19 HG3 LYS 19 8.970 6.473 -7.443 637 HD2 LYS 19 HD2 LYS 19 9.260 4.407 -5.218 638 HD3 LYS 19 HD3 LYS 19 9.026 3.952 -6.902 639 HE2 LYS 19 HE2 LYS 19 11.277 5.823 -6.150 640 HE3 LYS 19 HE3 LYS 19 11.461 4.091 -5.918 641 HZ1 LYS 19 HZ1 LYS 19 12.301 4.737 -8.054 642 HZ2 LYS 19 HZ2 LYS 19 10.833 5.458 -8.472 643 HZ3 LYS 19 HZ3 LYS 19 10.926 3.783 -8.272 644 H ALA 20 H ALA 20 10.659 7.579 -3.346 645 HA ALA 20 HA ALA 20 9.622 9.684 -1.571 646 HB1 ALA 20 HB1 ALA 20 10.400 7.848 -0.107 647 HB2 ALA 20 HB2 ALA 20 11.437 9.267 0.044 648 HB3 ALA 20 HB3 ALA 20 11.977 7.875 -0.899 649 H SER 21 H SER 21 11.174 11.461 -1.362 650 HA SER 21 HA SER 21 12.018 12.611 -3.636 651 HB2 SER 21 HB2 SER 21 13.372 13.041 -0.940 652 HB3 SER 21 HB3 SER 21 13.248 14.212 -2.258 653 HG SER 21 HG SER 21 11.662 14.301 -0.420 654 H ASN 22 H ASN 22 13.959 10.307 -1.802 655 HA ASN 22 HA ASN 22 16.462 10.887 -3.186 656 HB2 ASN 22 HB2 ASN 22 15.731 8.757 -1.132 657 HB3 ASN 22 HB3 ASN 22 17.364 9.051 -1.732 658 HD21 ASN 22 HD21 ASN 22 16.134 9.304 0.979 659 HD22 ASN 22 HD22 ASN 22 16.548 10.894 1.504 660 H GLY 23 H GLY 23 13.856 9.419 -4.357 661 HA2 GLY 23 HA2 GLY 23 13.380 7.858 -5.957 662 HA3 GLY 23 HA3 GLY 23 15.096 7.702 -6.256 663 H GLU 24 H GLU 24 13.649 7.177 -3.145 664 HA GLU 24 HA GLU 24 14.257 4.267 -3.247 665 HB2 GLU 24 HB2 GLU 24 13.809 6.039 -0.804 666 HB3 GLU 24 HB3 GLU 24 14.281 4.342 -0.779 667 HG2 GLU 24 HG2 GLU 24 15.961 6.601 -1.919 668 HG3 GLU 24 HG3 GLU 24 16.139 5.931 -0.301 669 H THR 25 H THR 25 12.634 2.780 -2.710 670 HA THR 25 HA THR 25 9.853 3.795 -2.705 671 HB THR 25 HB THR 25 10.776 0.919 -3.145 672 HG1 THR 25 HG1 THR 25 11.628 1.803 -4.887 673 HG21 THR 25 HG21 THR 25 8.598 0.643 -4.265 674 HG22 THR 25 HG22 THR 25 8.189 2.320 -3.902 675 HG23 THR 25 HG23 THR 25 8.378 1.153 -2.589 676 H MET 26 H MET 26 8.472 3.260 -1.141 677 HA MET 26 HA MET 26 9.559 2.082 1.369 678 HB2 MET 26 HB2 MET 26 7.880 3.658 2.525 679 HB3 MET 26 HB3 MET 26 9.333 4.359 1.838 680 HG2 MET 26 HG2 MET 26 7.471 5.791 1.371 681 HG3 MET 26 HG3 MET 26 8.020 5.079 -0.143 682 HE1 MET 26 HE1 MET 26 4.266 3.660 2.116 683 HE2 MET 26 HE2 MET 26 5.390 4.875 2.737 684 HE3 MET 26 HE3 MET 26 5.895 3.187 2.597 685 H PHE 27 H PHE 27 6.772 2.060 -0.821 686 HA PHE 27 HA PHE 27 6.586 -0.703 -0.090 687 HB2 PHE 27 HB2 PHE 27 4.134 -0.840 0.299 688 HB3 PHE 27 HB3 PHE 27 5.017 -0.034 1.577 689 HD1 PHE 27 HD1 PHE 27 4.426 2.210 -1.213 690 HD2 PHE 27 HD2 PHE 27 2.636 0.455 2.249 691 HE1 PHE 27 HE1 PHE 27 2.816 4.064 -1.076 692 HE2 PHE 27 HE2 PHE 27 1.041 2.304 2.362 693 HZ PHE 27 HZ PHE 27 1.140 4.112 0.706 694 H SER 28 H SER 28 5.001 -1.869 -1.320 695 HA SER 28 HA SER 28 4.206 -1.023 -3.943 696 HB2 SER 28 HB2 SER 28 6.746 -1.075 -4.158 697 HB3 SER 28 HB3 SER 28 6.694 -2.803 -3.815 698 HG SER 28 HG SER 28 5.567 -3.132 -5.716 699 H SER 29 H SER 29 3.594 -2.972 -5.338 700 HA SER 29 HA SER 29 2.827 -4.988 -5.793 701 HB2 SER 29 HB2 SER 29 4.758 -5.934 -3.651 702 HB3 SER 29 HB3 SER 29 4.087 -6.920 -4.954 703 HG SER 29 HG SER 29 6.150 -5.128 -4.991 704 H GLU 30 H GLU 30 0.909 -3.857 -4.443 705 HA GLU 30 HA GLU 30 -0.270 -5.728 -2.625 706 HB2 GLU 30 HB2 GLU 30 -2.512 -4.568 -3.702 707 HB3 GLU 30 HB3 GLU 30 -1.613 -3.910 -2.359 708 HG2 GLU 30 HG2 GLU 30 -2.343 -2.278 -4.117 709 HG3 GLU 30 HG3 GLU 30 -0.645 -2.220 -3.664 710 H GLY 31 H GLY 31 -0.717 -5.200 -6.216 711 HA2 GLY 31 HA2 GLY 31 -1.424 -6.685 -7.814 712 HA3 GLY 31 HA3 GLY 31 -1.454 -7.967 -6.605 713 H TYR 32 H TYR 32 -3.181 -4.890 -7.372 714 HA TYR 32 HA TYR 32 -5.273 -5.563 -5.497 715 HB2 TYR 32 HB2 TYR 32 -4.429 -3.192 -5.846 716 HB3 TYR 32 HB3 TYR 32 -5.185 -3.198 -7.439 717 HD1 TYR 32 HD1 TYR 32 -6.127 -4.063 -3.897 718 HD2 TYR 32 HD2 TYR 32 -7.321 -2.120 -7.516 719 HE1 TYR 32 HE1 TYR 32 -8.220 -3.359 -2.824 720 HE2 TYR 32 HE2 TYR 32 -9.416 -1.408 -6.432 721 HH TYR 32 HH TYR 32 -9.910 -1.571 -3.091 722 H LYS 33 H LYS 33 -5.323 -4.773 -9.008 723 HA LYS 33 HA LYS 33 -6.734 -7.121 -9.739 724 HB2 LYS 33 HB2 LYS 33 -8.675 -5.997 -8.717 725 HB3 LYS 33 HB3 LYS 33 -8.421 -4.572 -9.718 726 HG2 LYS 33 HG2 LYS 33 -10.273 -5.941 -10.561 727 HG3 LYS 33 HG3 LYS 33 -8.962 -5.859 -11.741 728 HD2 LYS 33 HD2 LYS 33 -8.188 -8.114 -10.942 729 HD3 LYS 33 HD3 LYS 33 -9.597 -8.185 -9.880 730 HE2 LYS 33 HE2 LYS 33 -11.074 -8.041 -11.887 731 HE3 LYS 33 HE3 LYS 33 -9.637 -8.033 -12.915 732 HZ1 LYS 33 HZ1 LYS 33 -10.531 -10.232 -12.804 733 HZ2 LYS 33 HZ2 LYS 33 -10.528 -10.215 -11.113 734 HZ3 LYS 33 HZ3 LYS 33 -9.066 -10.218 -11.957 735 H ALA 34 H ALA 34 -6.866 -3.749 -10.935 736 HA ALA 34 HA ALA 34 -5.547 -4.524 -13.466 737 HB1 ALA 34 HB1 ALA 34 -7.341 -3.441 -14.772 738 HB2 ALA 34 HB2 ALA 34 -8.249 -3.127 -13.289 739 HB3 ALA 34 HB3 ALA 34 -7.981 -4.787 -13.824 740 H LYS 35 H LYS 35 -5.243 -2.299 -14.850 741 HA LYS 35 HA LYS 35 -3.700 -0.592 -13.212 742 HB2 LYS 35 HB2 LYS 35 -3.268 0.732 -15.214 743 HB3 LYS 35 HB3 LYS 35 -3.150 -0.972 -15.613 744 HG2 LYS 35 HG2 LYS 35 -5.724 0.520 -16.158 745 HG3 LYS 35 HG3 LYS 35 -4.357 0.712 -17.252 746 HD2 LYS 35 HD2 LYS 35 -5.451 -2.011 -16.497 747 HD3 LYS 35 HD3 LYS 35 -6.110 -1.080 -17.850 748 HE2 LYS 35 HE2 LYS 35 -3.881 -1.061 -18.920 749 HE3 LYS 35 HE3 LYS 35 -3.213 -1.955 -17.558 750 HZ1 LYS 35 HZ1 LYS 35 -4.682 -3.793 -18.101 751 HZ2 LYS 35 HZ2 LYS 35 -3.660 -3.411 -19.386 752 HZ3 LYS 35 HZ3 LYS 35 -5.281 -2.942 -19.435 753 H ALA 36 H ALA 36 -6.886 -0.181 -14.796 754 HA ALA 36 HA ALA 36 -7.410 2.451 -13.982 755 HB1 ALA 36 HB1 ALA 36 -8.748 1.313 -15.708 756 HB2 ALA 36 HB2 ALA 36 -9.791 1.946 -14.433 757 HB3 ALA 36 HB3 ALA 36 -9.414 0.224 -14.492 758 H SER 37 H SER 37 -8.076 -0.659 -12.389 759 HA SER 37 HA SER 37 -9.409 0.313 -10.089 760 HB2 SER 37 HB2 SER 37 -7.755 -2.241 -10.371 761 HB3 SER 37 HB3 SER 37 -9.026 -1.932 -9.183 762 HG SER 37 HG SER 37 -10.113 -1.503 -11.539 763 H ALA 38 H ALA 38 -6.042 -0.058 -10.979 764 HA ALA 38 HA ALA 38 -4.832 0.178 -8.435 765 HB1 ALA 38 HB1 ALA 38 -3.675 0.758 -11.190 766 HB2 ALA 38 HB2 ALA 38 -3.640 -0.792 -10.352 767 HB3 ALA 38 HB3 ALA 38 -2.739 0.580 -9.701 768 H ILE 39 H ILE 39 -5.289 2.630 -11.087 769 HA ILE 39 HA ILE 39 -4.458 4.895 -9.720 770 HB ILE 39 HB ILE 39 -6.508 4.581 -11.955 771 HG12 ILE 39 HG12 ILE 39 -4.684 6.139 -13.120 772 HG13 ILE 39 HG13 ILE 39 -3.644 5.587 -11.817 773 HG21 ILE 39 HG21 ILE 39 -7.346 6.493 -10.703 774 HG22 ILE 39 HG22 ILE 39 -6.623 7.062 -12.205 775 HG23 ILE 39 HG23 ILE 39 -5.745 7.237 -10.685 776 HD11 ILE 39 HD11 ILE 39 -5.011 3.849 -13.854 777 HD12 ILE 39 HD12 ILE 39 -3.942 3.290 -12.565 778 HD13 ILE 39 HD13 ILE 39 -3.315 4.326 -13.847 779 H HIS 40 H HIS 40 -7.747 3.449 -9.784 780 HA HIS 40 HA HIS 40 -9.044 5.410 -8.224 781 HB2 HIS 40 HB2 HIS 40 -9.704 2.528 -8.874 782 HB3 HIS 40 HB3 HIS 40 -10.702 3.413 -7.720 783 HD1 HIS 40 HD1 HIS 40 -11.779 5.687 -8.664 784 HD2 HIS 40 HD2 HIS 40 -10.376 3.015 -11.519 785 HE1 HIS 40 HE1 HIS 40 -12.845 6.392 -10.819 786 HE2 HIS 40 HE2 HIS 40 -12.102 4.669 -12.500 787 H ALA 41 H ALA 41 -7.391 2.397 -7.231 788 HA ALA 41 HA ALA 41 -7.751 2.549 -4.494 789 HB1 ALA 41 HB1 ALA 41 -5.687 1.194 -4.345 790 HB2 ALA 41 HB2 ALA 41 -5.304 1.579 -6.025 791 HB3 ALA 41 HB3 ALA 41 -6.734 0.618 -5.645 792 H ILE 42 H ILE 42 -5.064 3.888 -6.442 793 HA ILE 42 HA ILE 42 -3.736 5.359 -4.475 794 HB ILE 42 HB ILE 42 -3.965 5.944 -7.456 795 HG12 ILE 42 HG12 ILE 42 -1.708 4.510 -5.986 796 HG13 ILE 42 HG13 ILE 42 -3.066 3.654 -6.707 797 HG21 ILE 42 HG21 ILE 42 -1.906 6.994 -5.467 798 HG22 ILE 42 HG22 ILE 42 -3.136 7.946 -6.301 799 HG23 ILE 42 HG23 ILE 42 -1.829 7.204 -7.221 800 HD11 ILE 42 HD11 ILE 42 -1.099 3.620 -8.108 801 HD12 ILE 42 HD12 ILE 42 -1.110 5.382 -8.201 802 HD13 ILE 42 HD13 ILE 42 -2.445 4.446 -8.889 803 H GLU 43 H GLU 43 -6.677 6.145 -6.215 804 HA GLU 43 HA GLU 43 -6.787 8.923 -5.734 805 HB2 GLU 43 HB2 GLU 43 -8.999 6.904 -6.236 806 HB3 GLU 43 HB3 GLU 43 -9.334 8.612 -6.001 807 HG2 GLU 43 HG2 GLU 43 -7.645 7.431 -8.220 808 HG3 GLU 43 HG3 GLU 43 -9.302 8.015 -8.374 809 H SER 44 H SER 44 -7.697 6.109 -3.707 810 HA SER 44 HA SER 44 -8.848 7.425 -1.522 811 HB2 SER 44 HB2 SER 44 -7.093 4.984 -1.723 812 HB3 SER 44 HB3 SER 44 -7.561 5.575 -0.132 813 HG SER 44 HG SER 44 -9.689 5.201 -0.643 814 H ILE 45 H ILE 45 -5.425 7.217 -2.430 815 HA ILE 45 HA ILE 45 -4.392 8.119 0.065 816 HB ILE 45 HB ILE 45 -2.772 8.520 -2.503 817 HG12 ILE 45 HG12 ILE 45 -3.781 6.214 -2.665 818 HG13 ILE 45 HG13 ILE 45 -2.032 6.169 -2.451 819 HG21 ILE 45 HG21 ILE 45 -1.831 9.257 -0.360 820 HG22 ILE 45 HG22 ILE 45 -0.917 7.875 -0.970 821 HG23 ILE 45 HG23 ILE 45 -2.101 7.650 0.339 822 HD11 ILE 45 HD11 ILE 45 -3.056 4.483 -1.124 823 HD12 ILE 45 HD12 ILE 45 -4.131 5.647 -0.362 824 HD13 ILE 45 HD13 ILE 45 -2.393 5.704 -0.048 825 H LYS 46 H LYS 46 -5.038 9.652 -3.060 826 HA LYS 46 HA LYS 46 -3.968 12.164 -2.632 827 HB2 LYS 46 HB2 LYS 46 -6.426 11.859 -4.384 828 HB3 LYS 46 HB3 LYS 46 -5.005 12.865 -4.635 829 HG2 LYS 46 HG2 LYS 46 -5.341 9.903 -5.137 830 HG3 LYS 46 HG3 LYS 46 -4.883 11.168 -6.278 831 HD2 LYS 46 HD2 LYS 46 -3.150 10.196 -3.965 832 HD3 LYS 46 HD3 LYS 46 -3.007 9.631 -5.624 833 HE2 LYS 46 HE2 LYS 46 -2.683 12.535 -4.868 834 HE3 LYS 46 HE3 LYS 46 -1.367 11.388 -4.878 835 HZ1 LYS 46 HZ1 LYS 46 -1.572 12.651 -6.955 836 HZ2 LYS 46 HZ2 LYS 46 -3.096 11.966 -7.208 837 HZ3 LYS 46 HZ3 LYS 46 -1.722 10.987 -7.196 838 H ARG 47 H ARG 47 -6.887 10.850 -1.528 839 HA ARG 47 HA ARG 47 -8.484 13.141 -1.120 840 HB2 ARG 47 HB2 ARG 47 -8.558 10.517 0.430 841 HB3 ARG 47 HB3 ARG 47 -9.830 11.735 0.428 842 HG2 ARG 47 HG2 ARG 47 -8.959 9.964 -1.864 843 HG3 ARG 47 HG3 ARG 47 -10.509 9.949 -1.028 844 HD2 ARG 47 HD2 ARG 47 -11.104 12.103 -2.002 845 HD3 ARG 47 HD3 ARG 47 -9.495 12.278 -2.709 846 HE ARG 47 HE ARG 47 -11.509 10.264 -3.548 847 HH11 ARG 47 HH11 ARG 47 -8.725 12.275 -4.357 848 HH12 ARG 47 HH12 ARG 47 -8.790 11.861 -6.042 849 HH21 ARG 47 HH21 ARG 47 -11.566 9.772 -5.774 850 HH22 ARG 47 HH22 ARG 47 -10.371 10.461 -6.834 851 H ASN 48 H ASN 48 -6.348 11.425 1.177 852 HA ASN 48 HA ASN 48 -5.876 13.581 2.946 853 HB2 ASN 48 HB2 ASN 48 -8.361 13.476 3.242 854 HB3 ASN 48 HB3 ASN 48 -8.205 11.844 3.861 855 HD21 ASN 48 HD21 ASN 48 -9.117 12.278 5.825 856 HD22 ASN 48 HD22 ASN 48 -8.390 13.283 7.025 857 H SER 49 H SER 49 -4.773 10.885 1.926 858 HA SER 49 HA SER 49 -4.452 9.134 4.158 859 HB2 SER 49 HB2 SER 49 -4.197 8.422 1.809 860 HB3 SER 49 HB3 SER 49 -2.728 9.383 1.680 861 HG SER 49 HG SER 49 -3.183 6.971 2.980 862 H ALA 50 H ALA 50 -2.457 11.780 2.850 863 HA ALA 50 HA ALA 50 -0.292 11.661 4.579 864 HB1 ALA 50 HB1 ALA 50 -0.398 13.144 2.622 865 HB2 ALA 50 HB2 ALA 50 0.049 14.044 4.074 866 HB3 ALA 50 HB3 ALA 50 -1.595 14.154 3.435 867 H GLY 51 H GLY 51 -3.529 12.938 5.153 868 HA2 GLY 51 HA2 GLY 51 -2.896 13.794 7.896 869 HA3 GLY 51 HA3 GLY 51 -4.397 14.070 7.030 870 H ALA 52 H ALA 52 -3.783 10.894 6.487 871 HA ALA 52 HA ALA 52 -5.791 9.882 8.222 872 HB1 ALA 52 HB1 ALA 52 -3.694 8.364 6.615 873 HB2 ALA 52 HB2 ALA 52 -5.281 8.873 6.028 874 HB3 ALA 52 HB3 ALA 52 -5.167 7.667 7.313 875 H ASP 53 H ASP 53 -5.474 8.064 9.794 876 HA ASP 53 HA ASP 53 -3.315 8.659 11.679 877 HB2 ASP 53 HB2 ASP 53 -5.544 8.477 12.621 878 HB3 ASP 53 HB3 ASP 53 -5.802 6.913 11.860 879 H THR 54 H THR 54 -1.929 6.966 12.565 880 HA THR 54 HA THR 54 -1.542 4.602 10.801 881 HB THR 54 HB THR 54 0.582 6.121 12.391 882 HG1 THR 54 HG1 THR 54 -0.569 6.816 10.146 883 HG21 THR 54 HG21 THR 54 1.255 3.778 12.041 884 HG22 THR 54 HG22 THR 54 2.225 4.845 11.017 885 HG23 THR 54 HG23 THR 54 0.897 3.917 10.317 886 H VAL 55 H VAL 55 -2.418 2.928 11.828 887 HA VAL 55 HA VAL 55 -2.192 2.586 14.771 888 HB VAL 55 HB VAL 55 -4.517 2.854 14.058 889 HG11 VAL 55 HG11 VAL 55 -5.690 1.255 12.595 890 HG12 VAL 55 HG12 VAL 55 -4.162 0.436 12.263 891 HG13 VAL 55 HG13 VAL 55 -4.401 2.102 11.735 892 HG21 VAL 55 HG21 VAL 55 -5.512 0.825 15.066 893 HG22 VAL 55 HG22 VAL 55 -4.102 1.372 15.973 894 HG23 VAL 55 HG23 VAL 55 -3.970 -0.021 14.899 895 H ASP 56 H ASP 56 -1.035 0.928 15.495 896 HA ASP 56 HA ASP 56 -0.097 -1.158 13.632 897 HB2 ASP 56 HB2 ASP 56 1.624 0.228 14.761 898 HB3 ASP 56 HB3 ASP 56 1.043 -0.330 16.331 899 H LEU 57 H LEU 57 -0.878 -3.108 13.792 900 HA LEU 57 HA LEU 57 -2.320 -4.101 16.142 901 HB2 LEU 57 HB2 LEU 57 -2.129 -5.331 13.356 902 HB3 LEU 57 HB3 LEU 57 -3.182 -5.857 14.654 903 HG LEU 57 HG LEU 57 -4.586 -4.711 13.141 904 HD11 LEU 57 HD11 LEU 57 -3.971 -2.716 15.324 905 HD12 LEU 57 HD12 LEU 57 -5.060 -4.100 15.441 906 HD13 LEU 57 HD13 LEU 57 -5.438 -2.773 14.344 907 HD21 LEU 57 HD21 LEU 57 -2.614 -2.422 13.045 908 HD22 LEU 57 HD22 LEU 57 -4.177 -2.482 12.225 909 HD23 LEU 57 HD23 LEU 57 -2.904 -3.616 11.775 910 H THR 58 H THR 58 0.832 -4.526 14.702 911 HA THR 58 HA THR 58 0.984 -7.393 15.280 912 HB THR 58 HB THR 58 1.922 -6.808 13.179 913 HG1 THR 58 HG1 THR 58 3.207 -8.202 14.852 914 HG21 THR 58 HG21 THR 58 3.838 -4.918 14.559 915 HG22 THR 58 HG22 THR 58 2.468 -4.445 13.549 916 HG23 THR 58 HG23 THR 58 3.816 -5.330 12.838 917 H THR 59 H THR 59 1.657 -4.569 17.061 918 HA THR 59 HA THR 59 3.353 -6.157 18.923 919 HB THR 59 HB THR 59 4.251 -4.076 19.863 920 HG1 THR 59 HG1 THR 59 2.319 -2.884 18.228 921 HG21 THR 59 HG21 THR 59 5.498 -5.013 17.945 922 HG22 THR 59 HG22 THR 59 5.595 -3.252 17.948 923 HG23 THR 59 HG23 THR 59 4.505 -4.069 16.829 924 H MET 60 H MET 60 0.323 -5.550 18.355 925 HA MET 60 HA MET 60 -0.508 -5.533 21.180 926 HB2 MET 60 HB2 MET 60 -0.832 -3.206 20.316 927 HB3 MET 60 HB3 MET 60 -1.754 -3.833 18.959 928 HG2 MET 60 HG2 MET 60 -3.411 -4.741 20.670 929 HG3 MET 60 HG3 MET 60 -2.547 -3.789 21.875 930 HE1 MET 60 HE1 MET 60 -4.802 -1.958 18.259 931 HE2 MET 60 HE2 MET 60 -4.732 -3.690 18.588 932 HE3 MET 60 HE3 MET 60 -3.281 -2.828 18.071 933 H THR 61 H THR 61 -1.071 -7.690 21.161 934 HA THR 61 HA THR 61 -1.392 -9.230 18.902 935 HB THR 61 HB THR 61 -2.304 -11.034 20.474 936 HG1 THR 61 HG1 THR 61 -3.251 -9.525 21.998 937 HG21 THR 61 HG21 THR 61 0.233 -9.625 21.361 938 HG22 THR 61 HG22 THR 61 0.119 -10.782 20.033 939 HG23 THR 61 HG23 THR 61 -0.190 -11.308 21.690 940 H ALA 62 H ALA 62 -2.893 -9.188 17.428 941 HA ALA 62 HA ALA 62 -5.734 -9.391 17.953 942 HB1 ALA 62 HB1 ALA 62 -4.652 -6.898 16.552 943 HB2 ALA 62 HB2 ALA 62 -5.380 -6.936 18.157 944 HB3 ALA 62 HB3 ALA 62 -6.357 -7.319 16.740 Start of MODEL 9 1 H MET 1 H MET 1 -11.926 7.620 11.271 2 HA MET 1 HA MET 1 -12.449 8.173 8.415 3 HB2 MET 1 HB2 MET 1 -11.507 10.120 9.703 4 HB3 MET 1 HB3 MET 1 -10.162 9.114 10.214 5 HG2 MET 1 HG2 MET 1 -9.495 8.880 7.813 6 HG3 MET 1 HG3 MET 1 -10.785 10.003 7.389 7 HE1 MET 1 HE1 MET 1 -8.502 10.228 10.626 8 HE2 MET 1 HE2 MET 1 -7.186 11.241 10.034 9 HE3 MET 1 HE3 MET 1 -7.389 9.605 9.404 10 H TYR 2 H TYR 2 -10.862 7.218 6.983 11 HA TYR 2 HA TYR 2 -9.921 4.639 7.729 12 HB2 TYR 2 HB2 TYR 2 -8.771 4.734 5.411 13 HB3 TYR 2 HB3 TYR 2 -10.523 4.736 5.491 14 HD1 TYR 2 HD1 TYR 2 -7.872 7.463 5.606 15 HD2 TYR 2 HD2 TYR 2 -11.452 5.999 3.782 16 HE1 TYR 2 HE1 TYR 2 -7.930 9.431 4.124 17 HE2 TYR 2 HE2 TYR 2 -11.516 7.948 2.323 18 HH TYR 2 HH TYR 2 -10.662 10.188 2.176 19 H LYS 3 H LYS 3 -7.611 3.975 7.175 20 HA LYS 3 HA LYS 3 -5.488 5.607 8.060 21 HB2 LYS 3 HB2 LYS 3 -5.201 4.349 10.339 22 HB3 LYS 3 HB3 LYS 3 -6.311 5.700 10.257 23 HG2 LYS 3 HG2 LYS 3 -7.313 3.994 11.597 24 HG3 LYS 3 HG3 LYS 3 -8.213 4.075 10.082 25 HD2 LYS 3 HD2 LYS 3 -7.125 2.038 9.281 26 HD3 LYS 3 HD3 LYS 3 -6.065 2.006 10.694 27 HE2 LYS 3 HE2 LYS 3 -7.913 0.384 10.907 28 HE3 LYS 3 HE3 LYS 3 -7.994 1.625 12.159 29 HZ1 LYS 3 HZ1 LYS 3 -9.701 2.748 10.881 30 HZ2 LYS 3 HZ2 LYS 3 -10.158 1.157 11.215 31 HZ3 LYS 3 HZ3 LYS 3 -9.611 1.571 9.672 32 H PHE 4 H PHE 4 -3.701 4.028 9.034 33 HA PHE 4 HA PHE 4 -3.338 1.862 7.071 34 HB2 PHE 4 HB2 PHE 4 -1.330 3.428 8.763 35 HB3 PHE 4 HB3 PHE 4 -0.896 2.059 7.740 36 HD1 PHE 4 HD1 PHE 4 -2.103 5.573 7.726 37 HD2 PHE 4 HD2 PHE 4 -0.780 2.274 5.338 38 HE1 PHE 4 HE1 PHE 4 -1.881 7.060 5.776 39 HE2 PHE 4 HE2 PHE 4 -0.555 3.770 3.404 40 HZ PHE 4 HZ PHE 4 -1.106 6.154 3.623 41 H GLU 5 H GLU 5 -3.630 -0.135 7.797 42 HA GLU 5 HA GLU 5 -3.378 -0.761 10.673 43 HB2 GLU 5 HB2 GLU 5 -4.604 -2.419 8.423 44 HB3 GLU 5 HB3 GLU 5 -4.547 -2.876 10.126 45 HG2 GLU 5 HG2 GLU 5 -5.835 -0.682 10.568 46 HG3 GLU 5 HG3 GLU 5 -6.133 -0.656 8.831 47 H ILE 6 H ILE 6 -1.401 -1.431 11.256 48 HA ILE 6 HA ILE 6 0.444 -2.607 9.295 49 HB ILE 6 HB ILE 6 1.040 -1.629 12.124 50 HG12 ILE 6 HG12 ILE 6 1.614 -0.088 9.563 51 HG13 ILE 6 HG13 ILE 6 0.164 0.180 10.524 52 HG21 ILE 6 HG21 ILE 6 2.935 -2.258 9.819 53 HG22 ILE 6 HG22 ILE 6 2.708 -3.247 11.264 54 HG23 ILE 6 HG23 ILE 6 3.416 -1.634 11.399 55 HD11 ILE 6 HD11 ILE 6 1.863 1.817 10.999 56 HD12 ILE 6 HD12 ILE 6 2.998 0.551 11.451 57 HD13 ILE 6 HD13 ILE 6 1.550 0.828 12.424 58 H TYR 7 H TYR 7 0.616 -4.722 9.352 59 HA TYR 7 HA TYR 7 0.445 -6.221 11.856 60 HB2 TYR 7 HB2 TYR 7 -1.057 -7.898 10.800 61 HB3 TYR 7 HB3 TYR 7 -1.828 -6.326 10.947 62 HD1 TYR 7 HD1 TYR 7 -0.470 -8.795 8.530 63 HD2 TYR 7 HD2 TYR 7 -2.305 -4.951 8.961 64 HE1 TYR 7 HE1 TYR 7 -0.913 -8.716 6.109 65 HE2 TYR 7 HE2 TYR 7 -2.744 -4.891 6.552 66 HH TYR 7 HH TYR 7 -2.407 -7.628 4.549 67 H GLN 8 H GLN 8 1.187 -8.503 11.471 68 HA GLN 8 HA GLN 8 3.141 -8.659 9.235 69 HB2 GLN 8 HB2 GLN 8 4.605 -10.002 10.497 70 HB3 GLN 8 HB3 GLN 8 4.110 -8.738 11.611 71 HG2 GLN 8 HG2 GLN 8 2.393 -10.452 12.477 72 HG3 GLN 8 HG3 GLN 8 3.321 -11.646 11.593 73 HE21 GLN 8 HE21 GLN 8 5.493 -12.044 12.238 74 HE22 GLN 8 HE22 GLN 8 6.061 -11.662 13.819 75 H ASP 9 H ASP 9 3.130 -10.511 8.005 76 HA ASP 9 HA ASP 9 0.742 -12.127 7.911 77 HB2 ASP 9 HB2 ASP 9 2.027 -11.410 5.865 78 HB3 ASP 9 HB3 ASP 9 3.399 -12.360 6.404 79 H LYS 10 H LYS 10 0.877 -14.552 8.105 80 HA LYS 10 HA LYS 10 1.916 -15.463 10.501 81 HB2 LYS 10 HB2 LYS 10 1.366 -17.762 9.726 82 HB3 LYS 10 HB3 LYS 10 0.082 -16.603 9.441 83 HG2 LYS 10 HG2 LYS 10 0.033 -17.836 7.478 84 HG3 LYS 10 HG3 LYS 10 1.039 -16.468 7.011 85 HD2 LYS 10 HD2 LYS 10 2.028 -18.501 6.122 86 HD3 LYS 10 HD3 LYS 10 3.076 -17.892 7.401 87 HE2 LYS 10 HE2 LYS 10 2.877 -20.305 7.608 88 HE3 LYS 10 HE3 LYS 10 2.062 -19.537 8.968 89 HZ1 LYS 10 HZ1 LYS 10 0.713 -20.589 6.543 90 HZ2 LYS 10 HZ2 LYS 10 -0.049 -19.908 7.890 91 HZ3 LYS 10 HZ3 LYS 10 0.787 -21.368 8.042 92 H ALA 11 H ALA 11 3.392 -15.462 7.379 93 HA ALA 11 HA ALA 11 5.793 -16.955 7.957 94 HB1 ALA 11 HB1 ALA 11 6.590 -16.083 5.782 95 HB2 ALA 11 HB2 ALA 11 5.238 -14.942 5.745 96 HB3 ALA 11 HB3 ALA 11 4.930 -16.679 5.665 97 H GLY 12 H GLY 12 4.922 -14.280 9.461 98 HA2 GLY 12 HA2 GLY 12 5.899 -12.655 10.687 99 HA3 GLY 12 HA3 GLY 12 7.449 -13.357 10.302 100 H GLU 13 H GLU 13 5.120 -12.214 7.912 101 HA GLU 13 HA GLU 13 7.217 -10.437 6.819 102 HB2 GLU 13 HB2 GLU 13 4.642 -11.529 5.624 103 HB3 GLU 13 HB3 GLU 13 5.642 -10.339 4.804 104 HG2 GLU 13 HG2 GLU 13 6.569 -13.114 5.625 105 HG3 GLU 13 HG3 GLU 13 6.013 -12.665 4.012 106 H TYR 14 H TYR 14 7.024 -8.771 8.365 107 HA TYR 14 HA TYR 14 4.742 -7.357 9.044 108 HB2 TYR 14 HB2 TYR 14 7.610 -6.387 8.844 109 HB3 TYR 14 HB3 TYR 14 6.309 -5.434 9.559 110 HD1 TYR 14 HD1 TYR 14 5.226 -6.162 11.680 111 HD2 TYR 14 HD2 TYR 14 8.555 -8.300 10.046 112 HE1 TYR 14 HE1 TYR 14 5.537 -7.333 13.820 113 HE2 TYR 14 HE2 TYR 14 8.853 -9.475 12.187 114 HH TYR 14 HH TYR 14 6.546 -9.546 14.582 115 H ARG 15 H ARG 15 3.638 -5.825 8.213 116 HA ARG 15 HA ARG 15 4.033 -4.537 5.664 117 HB2 ARG 15 HB2 ARG 15 1.872 -6.652 6.042 118 HB3 ARG 15 HB3 ARG 15 1.948 -5.555 4.666 119 HG2 ARG 15 HG2 ARG 15 3.822 -6.639 3.742 120 HG3 ARG 15 HG3 ARG 15 4.238 -7.431 5.263 121 HD2 ARG 15 HD2 ARG 15 2.293 -8.871 5.104 122 HD3 ARG 15 HD3 ARG 15 1.764 -8.030 3.652 123 HE ARG 15 HE ARG 15 4.329 -8.954 3.136 124 HH11 ARG 15 HH11 ARG 15 1.261 -10.445 3.915 125 HH12 ARG 15 HH12 ARG 15 1.623 -11.907 3.060 126 HH21 ARG 15 HH21 ARG 15 4.805 -10.885 2.055 127 HH22 ARG 15 HH22 ARG 15 3.614 -12.150 1.994 128 H PHE 16 H PHE 16 1.877 -3.456 5.052 129 HA PHE 16 HA PHE 16 0.035 -2.872 7.201 130 HB2 PHE 16 HB2 PHE 16 0.255 -0.396 6.975 131 HB3 PHE 16 HB3 PHE 16 1.698 -1.137 7.641 132 HD1 PHE 16 HD1 PHE 16 3.809 -1.151 6.374 133 HD2 PHE 16 HD2 PHE 16 0.296 0.669 4.737 134 HE1 PHE 16 HE1 PHE 16 5.183 0.010 4.696 135 HE2 PHE 16 HE2 PHE 16 1.679 1.823 3.064 136 HZ PHE 16 HZ PHE 16 4.122 1.496 3.039 137 H ARG 17 H ARG 17 -1.904 -1.909 6.411 138 HA ARG 17 HA ARG 17 -2.181 -1.748 3.468 139 HB2 ARG 17 HB2 ARG 17 -4.356 -2.814 3.577 140 HB3 ARG 17 HB3 ARG 17 -3.144 -3.874 4.281 141 HG2 ARG 17 HG2 ARG 17 -3.943 -3.253 6.552 142 HG3 ARG 17 HG3 ARG 17 -5.185 -2.229 5.819 143 HD2 ARG 17 HD2 ARG 17 -6.089 -4.229 4.631 144 HD3 ARG 17 HD3 ARG 17 -4.893 -5.233 5.457 145 HE ARG 17 HE ARG 17 -6.239 -3.992 7.484 146 HH11 ARG 17 HH11 ARG 17 -7.313 -5.928 4.733 147 HH12 ARG 17 HH12 ARG 17 -8.637 -6.628 5.608 148 HH21 ARG 17 HH21 ARG 17 -7.987 -4.914 8.585 149 HH22 ARG 17 HH22 ARG 17 -9.014 -6.058 7.777 150 H PHE 18 H PHE 18 -3.989 -0.380 2.787 151 HA PHE 18 HA PHE 18 -4.581 1.759 4.780 152 HB2 PHE 18 HB2 PHE 18 -3.067 2.588 2.961 153 HB3 PHE 18 HB3 PHE 18 -4.282 2.138 1.770 154 HD1 PHE 18 HD1 PHE 18 -4.768 3.853 5.082 155 HD2 PHE 18 HD2 PHE 18 -4.888 4.219 0.826 156 HE1 PHE 18 HE1 PHE 18 -5.737 6.099 5.291 157 HE2 PHE 18 HE2 PHE 18 -5.826 6.480 1.039 158 HZ PHE 18 HZ PHE 18 -6.282 7.404 3.278 159 H LYS 19 H LYS 19 -6.622 2.262 5.044 160 HA LYS 19 HA LYS 19 -8.595 0.402 3.923 161 HB2 LYS 19 HB2 LYS 19 -8.664 2.129 6.452 162 HB3 LYS 19 HB3 LYS 19 -9.884 0.945 5.974 163 HG2 LYS 19 HG2 LYS 19 -6.983 0.324 6.665 164 HG3 LYS 19 HG3 LYS 19 -8.387 0.011 7.697 165 HD2 LYS 19 HD2 LYS 19 -8.028 -1.207 4.919 166 HD3 LYS 19 HD3 LYS 19 -7.512 -2.023 6.387 167 HE2 LYS 19 HE2 LYS 19 -10.373 -1.116 5.963 168 HE3 LYS 19 HE3 LYS 19 -9.790 -2.683 5.437 169 HZ1 LYS 19 HZ1 LYS 19 -9.841 -1.662 8.210 170 HZ2 LYS 19 HZ2 LYS 19 -9.147 -3.126 7.746 171 HZ3 LYS 19 HZ3 LYS 19 -10.809 -2.890 7.562 172 H ALA 20 H ALA 20 -10.877 1.417 4.162 173 HA ALA 20 HA ALA 20 -11.101 4.170 3.165 174 HB1 ALA 20 HB1 ALA 20 -12.821 3.475 1.530 175 HB2 ALA 20 HB2 ALA 20 -12.552 1.785 1.958 176 HB3 ALA 20 HB3 ALA 20 -11.271 2.704 1.174 177 H SER 21 H SER 21 -13.224 5.059 3.614 178 HA SER 21 HA SER 21 -14.008 5.186 6.092 179 HB2 SER 21 HB2 SER 21 -15.994 5.332 3.791 180 HB3 SER 21 HB3 SER 21 -16.194 6.088 5.378 181 HG SER 21 HG SER 21 -15.352 7.655 4.140 182 H ASN 22 H ASN 22 -15.392 2.650 3.968 183 HA ASN 22 HA ASN 22 -17.296 1.771 6.026 184 HB2 ASN 22 HB2 ASN 22 -16.881 0.749 3.184 185 HB3 ASN 22 HB3 ASN 22 -18.194 0.275 4.257 186 HD21 ASN 22 HD21 ASN 22 -16.948 2.746 2.173 187 HD22 ASN 22 HD22 ASN 22 -18.359 3.745 2.176 188 H GLY 23 H GLY 23 -14.254 1.262 6.154 189 HA2 GLY 23 HA2 GLY 23 -12.913 -0.381 7.050 190 HA3 GLY 23 HA3 GLY 23 -14.318 -1.427 7.179 191 H GLU 24 H GLU 24 -13.676 -0.060 4.104 192 HA GLU 24 HA GLU 24 -13.051 -2.630 2.869 193 HB2 GLU 24 HB2 GLU 24 -13.137 0.159 1.631 194 HB3 GLU 24 HB3 GLU 24 -13.187 -1.370 0.758 195 HG2 GLU 24 HG2 GLU 24 -15.403 -1.831 1.457 196 HG3 GLU 24 HG3 GLU 24 -15.330 -0.651 2.764 197 H THR 25 H THR 25 -11.045 -2.999 1.657 198 HA THR 25 HA THR 25 -8.777 -1.198 2.361 199 HB THR 25 HB THR 25 -8.591 -4.184 1.751 200 HG1 THR 25 HG1 THR 25 -9.571 -3.928 3.744 201 HG21 THR 25 HG21 THR 25 -6.288 -3.999 2.604 202 HG22 THR 25 HG22 THR 25 -6.508 -2.264 2.825 203 HG23 THR 25 HG23 THR 25 -6.522 -2.955 1.199 204 H MET 26 H MET 26 -7.497 -0.527 0.747 205 HA MET 26 HA MET 26 -8.305 -1.162 -2.032 206 HB2 MET 26 HB2 MET 26 -7.442 1.274 -2.486 207 HB3 MET 26 HB3 MET 26 -9.049 1.009 -1.828 208 HG2 MET 26 HG2 MET 26 -7.962 2.869 -0.706 209 HG3 MET 26 HG3 MET 26 -8.209 1.547 0.430 210 HE1 MET 26 HE1 MET 26 -5.410 1.976 -2.315 211 HE2 MET 26 HE2 MET 26 -4.252 2.871 -1.335 212 HE3 MET 26 HE3 MET 26 -5.835 3.561 -1.667 213 H PHE 27 H PHE 27 -5.507 -0.921 0.124 214 HA PHE 27 HA PHE 27 -4.281 -2.752 -1.763 215 HB2 PHE 27 HB2 PHE 27 -2.153 -1.745 -2.098 216 HB3 PHE 27 HB3 PHE 27 -3.304 -0.457 -2.407 217 HD1 PHE 27 HD1 PHE 27 -0.789 -1.721 0.081 218 HD2 PHE 27 HD2 PHE 27 -3.254 1.527 -1.076 219 HE1 PHE 27 HE1 PHE 27 0.365 -0.264 1.699 220 HE2 PHE 27 HE2 PHE 27 -2.131 2.989 0.520 221 HZ PHE 27 HZ PHE 27 -0.294 2.101 1.921 222 H SER 28 H SER 28 -2.540 -3.894 -0.954 223 HA SER 28 HA SER 28 -2.005 -3.841 1.965 224 HB2 SER 28 HB2 SER 28 -3.321 -5.872 1.453 225 HB3 SER 28 HB3 SER 28 -2.173 -6.319 0.191 226 HG SER 28 HG SER 28 -1.654 -6.110 2.973 227 H SER 29 H SER 29 0.276 -3.862 2.460 228 HA SER 29 HA SER 29 1.884 -3.159 0.097 229 HB2 SER 29 HB2 SER 29 3.351 -1.944 1.598 230 HB3 SER 29 HB3 SER 29 1.690 -1.486 1.969 231 HG SER 29 HG SER 29 2.078 -2.106 3.905 232 H GLU 30 H GLU 30 4.132 -3.699 0.123 233 HA GLU 30 HA GLU 30 4.866 -6.382 0.762 234 HB2 GLU 30 HB2 GLU 30 5.708 -5.157 -1.212 235 HB3 GLU 30 HB3 GLU 30 6.447 -3.946 -0.172 236 HG2 GLU 30 HG2 GLU 30 7.999 -5.672 0.694 237 HG3 GLU 30 HG3 GLU 30 7.260 -6.849 -0.392 238 H GLY 31 H GLY 31 4.929 -3.326 2.399 239 HA2 GLY 31 HA2 GLY 31 5.193 -2.867 4.614 240 HA3 GLY 31 HA3 GLY 31 5.731 -4.510 4.881 241 H TYR 32 H TYR 32 7.742 -3.739 2.616 242 HA TYR 32 HA TYR 32 9.698 -2.660 2.211 243 HB2 TYR 32 HB2 TYR 32 8.857 -0.646 3.445 244 HB3 TYR 32 HB3 TYR 32 9.430 -1.345 4.953 245 HD1 TYR 32 HD1 TYR 32 10.500 0.093 1.708 246 HD2 TYR 32 HD2 TYR 32 11.777 -1.205 5.570 247 HE1 TYR 32 HE1 TYR 32 12.677 1.162 1.344 248 HE2 TYR 32 HE2 TYR 32 13.957 -0.137 5.202 249 HH TYR 32 HH TYR 32 14.504 2.042 2.622 250 H LYS 33 H LYS 33 9.570 -3.510 5.711 251 HA LYS 33 HA LYS 33 11.168 -5.876 5.349 252 HB2 LYS 33 HB2 LYS 33 12.970 -4.181 5.232 253 HB3 LYS 33 HB3 LYS 33 12.453 -3.498 6.767 254 HG2 LYS 33 HG2 LYS 33 14.457 -4.875 7.039 255 HG3 LYS 33 HG3 LYS 33 13.097 -5.560 7.935 256 HD2 LYS 33 HD2 LYS 33 12.748 -7.230 6.160 257 HD3 LYS 33 HD3 LYS 33 14.055 -6.519 5.208 258 HE2 LYS 33 HE2 LYS 33 15.681 -7.141 6.941 259 HE3 LYS 33 HE3 LYS 33 14.383 -7.789 7.950 260 HZ1 LYS 33 HZ1 LYS 33 15.586 -9.494 6.698 261 HZ2 LYS 33 HZ2 LYS 33 15.073 -8.793 5.248 262 HZ3 LYS 33 HZ3 LYS 33 13.942 -9.451 6.314 263 H ALA 34 H ALA 34 10.640 -3.497 7.965 264 HA ALA 34 HA ALA 34 9.680 -5.671 9.749 265 HB1 ALA 34 HB1 ALA 34 11.610 -3.425 10.445 266 HB2 ALA 34 HB2 ALA 34 12.037 -5.128 10.253 267 HB3 ALA 34 HB3 ALA 34 10.973 -4.628 11.570 268 H LYS 35 H LYS 35 8.707 -4.400 11.911 269 HA LYS 35 HA LYS 35 6.527 -2.904 10.854 270 HB2 LYS 35 HB2 LYS 35 5.668 -2.741 13.144 271 HB3 LYS 35 HB3 LYS 35 6.089 -4.391 12.735 272 HG2 LYS 35 HG2 LYS 35 7.892 -2.605 14.402 273 HG3 LYS 35 HG3 LYS 35 6.626 -3.618 15.100 274 HD2 LYS 35 HD2 LYS 35 7.756 -5.612 13.996 275 HD3 LYS 35 HD3 LYS 35 9.091 -4.538 13.575 276 HE2 LYS 35 HE2 LYS 35 8.133 -5.171 16.388 277 HE3 LYS 35 HE3 LYS 35 9.571 -5.838 15.619 278 HZ1 LYS 35 HZ1 LYS 35 10.507 -3.620 15.533 279 HZ2 LYS 35 HZ2 LYS 35 10.102 -4.040 17.115 280 HZ3 LYS 35 HZ3 LYS 35 9.120 -2.971 16.254 281 H ALA 36 H ALA 36 9.372 -2.047 12.870 282 HA ALA 36 HA ALA 36 8.878 0.692 13.172 283 HB1 ALA 36 HB1 ALA 36 11.585 -0.661 12.873 284 HB2 ALA 36 HB2 ALA 36 10.691 -0.467 14.380 285 HB3 ALA 36 HB3 ALA 36 11.309 0.954 13.535 286 H SER 37 H SER 37 10.491 -1.081 10.568 287 HA SER 37 HA SER 37 11.148 1.112 8.897 288 HB2 SER 37 HB2 SER 37 10.645 -1.768 8.054 289 HB3 SER 37 HB3 SER 37 11.642 -0.569 7.229 290 HG SER 37 HG SER 37 12.862 -0.557 9.309 291 H ALA 38 H ALA 38 8.263 -0.809 9.354 292 HA ALA 38 HA ALA 38 6.887 -0.098 6.973 293 HB1 ALA 38 HB1 ALA 38 5.730 -1.164 9.572 294 HB2 ALA 38 HB2 ALA 38 6.284 -2.136 8.209 295 HB3 ALA 38 HB3 ALA 38 4.885 -1.075 8.022 296 H ILE 39 H ILE 39 6.635 1.142 10.407 297 HA ILE 39 HA ILE 39 4.897 3.254 9.952 298 HB ILE 39 HB ILE 39 7.141 2.915 11.980 299 HG12 ILE 39 HG12 ILE 39 5.041 3.212 13.570 300 HG13 ILE 39 HG13 ILE 39 4.099 2.916 12.119 301 HG21 ILE 39 HG21 ILE 39 6.461 5.017 13.138 302 HG22 ILE 39 HG22 ILE 39 5.435 5.425 11.759 303 HG23 ILE 39 HG23 ILE 39 7.185 5.317 11.557 304 HD11 ILE 39 HD11 ILE 39 5.155 0.719 11.912 305 HD12 ILE 39 HD12 ILE 39 4.328 0.935 13.453 306 HD13 ILE 39 HD13 ILE 39 6.085 1.043 13.378 307 H HIS 40 H HIS 40 8.457 3.172 9.544 308 HA HIS 40 HA HIS 40 8.865 5.875 8.851 309 HB2 HIS 40 HB2 HIS 40 10.468 3.378 8.193 310 HB3 HIS 40 HB3 HIS 40 10.985 4.979 7.673 311 HD1 HIS 40 HD1 HIS 40 13.109 4.852 9.104 312 HD2 HIS 40 HD2 HIS 40 9.611 4.553 11.323 313 HE1 HIS 40 HE1 HIS 40 13.807 5.109 11.499 314 HE2 HIS 40 HE2 HIS 40 11.705 4.736 12.828 315 H ALA 41 H ALA 41 8.080 3.044 6.824 316 HA ALA 41 HA ALA 41 8.036 4.287 4.324 317 HB1 ALA 41 HB1 ALA 41 7.943 1.836 4.642 318 HB2 ALA 41 HB2 ALA 41 6.603 2.395 3.641 319 HB3 ALA 41 HB3 ALA 41 6.326 1.977 5.336 320 H ILE 42 H ILE 42 5.376 3.721 6.646 321 HA ILE 42 HA ILE 42 3.374 5.127 5.295 322 HB ILE 42 HB ILE 42 3.657 4.651 8.284 323 HG12 ILE 42 HG12 ILE 42 1.997 3.076 6.258 324 HG13 ILE 42 HG13 ILE 42 3.636 2.617 6.710 325 HG21 ILE 42 HG21 ILE 42 1.161 5.408 6.700 326 HG22 ILE 42 HG22 ILE 42 2.018 6.450 7.835 327 HG23 ILE 42 HG23 ILE 42 1.205 4.998 8.418 328 HD11 ILE 42 HD11 ILE 42 2.949 2.304 8.996 329 HD12 ILE 42 HD12 ILE 42 1.965 1.342 7.893 330 HD13 ILE 42 HD13 ILE 42 1.306 2.818 8.594 331 H GLU 43 H GLU 43 6.052 6.313 7.181 332 HA GLU 43 HA GLU 43 4.994 8.862 7.882 333 HB2 GLU 43 HB2 GLU 43 7.829 7.816 7.696 334 HB3 GLU 43 HB3 GLU 43 7.509 9.514 8.049 335 HG2 GLU 43 HG2 GLU 43 6.235 8.872 10.055 336 HG3 GLU 43 HG3 GLU 43 6.515 7.167 9.701 337 H SER 44 H SER 44 6.825 7.601 5.096 338 HA SER 44 HA SER 44 7.169 9.903 3.566 339 HB2 SER 44 HB2 SER 44 6.491 7.060 2.728 340 HB3 SER 44 HB3 SER 44 6.900 8.313 1.560 341 HG SER 44 HG SER 44 8.495 7.099 3.555 342 H ILE 45 H ILE 45 4.248 7.960 4.058 343 HA ILE 45 HA ILE 45 2.763 9.095 1.916 344 HB ILE 45 HB ILE 45 1.270 7.929 4.308 345 HG12 ILE 45 HG12 ILE 45 3.241 6.364 3.849 346 HG13 ILE 45 HG13 ILE 45 1.657 5.634 3.636 347 HG21 ILE 45 HG21 ILE 45 -0.156 7.039 2.469 348 HG22 ILE 45 HG22 ILE 45 0.960 7.760 1.289 349 HG23 ILE 45 HG23 ILE 45 0.031 8.795 2.385 350 HD11 ILE 45 HD11 ILE 45 3.530 6.561 1.470 351 HD12 ILE 45 HD12 ILE 45 1.909 5.910 1.196 352 HD13 ILE 45 HD13 ILE 45 3.153 4.903 1.929 353 H LYS 46 H LYS 46 2.981 9.697 5.399 354 HA LYS 46 HA LYS 46 0.924 11.541 5.718 355 HB2 LYS 46 HB2 LYS 46 3.464 11.565 7.394 356 HB3 LYS 46 HB3 LYS 46 1.837 12.019 7.884 357 HG2 LYS 46 HG2 LYS 46 2.974 9.245 7.473 358 HG3 LYS 46 HG3 LYS 46 2.284 9.947 8.939 359 HD2 LYS 46 HD2 LYS 46 0.775 9.130 6.418 360 HD3 LYS 46 HD3 LYS 46 0.732 8.318 7.985 361 HE2 LYS 46 HE2 LYS 46 -0.223 11.159 7.512 362 HE3 LYS 46 HE3 LYS 46 -1.251 9.748 7.499 363 HZ1 LYS 46 HZ1 LYS 46 -0.561 9.304 9.787 364 HZ2 LYS 46 HZ2 LYS 46 -1.325 10.801 9.632 365 HZ3 LYS 46 HZ3 LYS 46 0.359 10.722 9.780 366 H ARG 47 H ARG 47 4.057 11.968 4.468 367 HA ARG 47 HA ARG 47 4.467 14.728 5.116 368 HB2 ARG 47 HB2 ARG 47 5.910 12.988 3.106 369 HB3 ARG 47 HB3 ARG 47 6.427 14.600 3.616 370 HG2 ARG 47 HG2 ARG 47 6.542 13.766 5.971 371 HG3 ARG 47 HG3 ARG 47 6.160 12.156 5.375 372 HD2 ARG 47 HD2 ARG 47 8.205 12.278 3.948 373 HD3 ARG 47 HD3 ARG 47 8.591 13.805 4.746 374 HE ARG 47 HE ARG 47 8.718 12.565 6.864 375 HH11 ARG 47 HH11 ARG 47 9.018 10.652 3.915 376 HH12 ARG 47 HH12 ARG 47 9.854 9.357 4.711 377 HH21 ARG 47 HH21 ARG 47 9.786 10.848 7.873 378 HH22 ARG 47 HH22 ARG 47 10.279 9.467 6.944 379 H ASN 48 H ASN 48 3.574 13.097 2.068 380 HA ASN 48 HA ASN 48 2.209 15.383 0.997 381 HB2 ASN 48 HB2 ASN 48 4.666 16.111 0.867 382 HB3 ASN 48 HB3 ASN 48 4.896 14.866 -0.352 383 HD21 ASN 48 HD21 ASN 48 5.341 16.196 -2.070 384 HD22 ASN 48 HD22 ASN 48 4.230 17.335 -2.733 385 H SER 49 H SER 49 2.148 12.276 1.109 386 HA SER 49 HA SER 49 2.252 11.348 -1.593 387 HB2 SER 49 HB2 SER 49 2.407 9.881 0.405 388 HB3 SER 49 HB3 SER 49 0.690 10.141 0.703 389 HG SER 49 HG SER 49 1.947 8.540 -1.126 390 H ALA 50 H ALA 50 -0.397 12.627 0.410 391 HA ALA 50 HA ALA 50 -2.493 12.288 -1.433 392 HB1 ALA 50 HB1 ALA 50 -2.877 12.831 0.924 393 HB2 ALA 50 HB2 ALA 50 -3.680 14.005 -0.122 394 HB3 ALA 50 HB3 ALA 50 -2.169 14.431 0.691 395 H GLY 51 H GLY 51 0.124 14.587 -1.340 396 HA2 GLY 51 HA2 GLY 51 -0.971 16.166 -3.589 397 HA3 GLY 51 HA3 GLY 51 0.396 16.606 -2.577 398 H ALA 52 H ALA 52 1.030 13.478 -3.129 399 HA ALA 52 HA ALA 52 3.068 13.832 -5.044 400 HB1 ALA 52 HB1 ALA 52 1.742 11.230 -4.172 401 HB2 ALA 52 HB2 ALA 52 3.098 12.018 -3.357 402 HB3 ALA 52 HB3 ALA 52 3.309 11.379 -4.989 403 H ASP 53 H ASP 53 3.203 12.383 -7.087 404 HA ASP 53 HA ASP 53 0.786 12.890 -8.700 405 HB2 ASP 53 HB2 ASP 53 2.981 13.897 -9.420 406 HB3 ASP 53 HB3 ASP 53 3.610 12.268 -9.649 407 H THR 54 H THR 54 0.083 11.272 -10.226 408 HA THR 54 HA THR 54 0.652 8.471 -9.421 409 HB THR 54 HB THR 54 -1.875 9.562 -10.752 410 HG1 THR 54 HG1 THR 54 -2.711 9.033 -8.534 411 HG21 THR 54 HG21 THR 54 -2.878 7.384 -10.069 412 HG22 THR 54 HG22 THR 54 -1.298 6.854 -9.484 413 HG23 THR 54 HG23 THR 54 -1.540 7.159 -11.206 414 H VAL 55 H VAL 55 1.970 7.513 -10.829 415 HA VAL 55 HA VAL 55 2.051 8.257 -13.701 416 HB VAL 55 HB VAL 55 4.339 7.291 -11.901 417 HG11 VAL 55 HG11 VAL 55 4.664 6.596 -14.236 418 HG12 VAL 55 HG12 VAL 55 5.853 7.814 -13.772 419 HG13 VAL 55 HG13 VAL 55 4.475 8.265 -14.778 420 HG21 VAL 55 HG21 VAL 55 5.276 9.565 -12.062 421 HG22 VAL 55 HG22 VAL 55 3.696 9.569 -11.277 422 HG23 VAL 55 HG23 VAL 55 3.850 10.098 -12.955 423 H ASP 56 H ASP 56 1.383 6.514 -14.939 424 HA ASP 56 HA ASP 56 1.768 3.768 -13.905 425 HB2 ASP 56 HB2 ASP 56 0.113 3.037 -15.599 426 HB3 ASP 56 HB3 ASP 56 -0.537 4.231 -14.486 427 H LEU 57 H LEU 57 3.618 2.906 -14.448 428 HA LEU 57 HA LEU 57 5.131 3.530 -16.803 429 HB2 LEU 57 HB2 LEU 57 5.529 1.264 -14.815 430 HB3 LEU 57 HB3 LEU 57 6.723 1.877 -15.953 431 HG LEU 57 HG LEU 57 5.621 3.340 -13.524 432 HD11 LEU 57 HD11 LEU 57 7.200 1.581 -12.961 433 HD12 LEU 57 HD12 LEU 57 7.922 3.162 -12.672 434 HD13 LEU 57 HD13 LEU 57 8.383 2.233 -14.101 435 HD21 LEU 57 HD21 LEU 57 7.234 5.139 -14.069 436 HD22 LEU 57 HD22 LEU 57 5.998 4.968 -15.309 437 HD23 LEU 57 HD23 LEU 57 7.620 4.333 -15.590 438 H THR 58 H THR 58 2.649 1.172 -16.129 439 HA THR 58 HA THR 58 3.858 -1.047 -17.522 440 HB THR 58 HB THR 58 2.481 -1.600 -15.648 441 HG1 THR 58 HG1 THR 58 2.112 -2.736 -17.940 442 HG21 THR 58 HG21 THR 58 0.063 -1.181 -15.514 443 HG22 THR 58 HG22 THR 58 0.147 -0.231 -17.003 444 HG23 THR 58 HG23 THR 58 0.989 0.323 -15.552 445 H THR 59 H THR 59 2.222 1.669 -18.704 446 HA THR 59 HA THR 59 0.887 0.268 -20.918 447 HB THR 59 HB THR 59 0.005 2.578 -21.437 448 HG1 THR 59 HG1 THR 59 0.642 3.574 -18.953 449 HG21 THR 59 HG21 THR 59 -0.534 1.590 -18.599 450 HG22 THR 59 HG22 THR 59 -1.351 1.021 -20.056 451 HG23 THR 59 HG23 THR 59 -1.569 2.686 -19.518 452 H MET 60 H MET 60 3.772 1.945 -20.119 453 HA MET 60 HA MET 60 4.540 2.451 -22.923 454 HB2 MET 60 HB2 MET 60 4.986 4.276 -21.327 455 HB3 MET 60 HB3 MET 60 5.862 3.181 -20.272 456 HG2 MET 60 HG2 MET 60 7.599 2.913 -22.031 457 HG3 MET 60 HG3 MET 60 6.727 4.071 -23.037 458 HE1 MET 60 HE1 MET 60 8.582 3.566 -19.570 459 HE2 MET 60 HE2 MET 60 7.071 4.337 -19.088 460 HE3 MET 60 HE3 MET 60 8.591 5.217 -18.948 461 H THR 61 H THR 61 5.906 0.951 -19.969 462 HA THR 61 HA THR 61 7.079 -1.270 -21.498 463 HB THR 61 HB THR 61 9.227 -0.981 -20.128 464 HG1 THR 61 HG1 THR 61 8.438 0.451 -18.553 465 HG21 THR 61 HG21 THR 61 10.232 0.773 -21.548 466 HG22 THR 61 HG22 THR 61 8.626 1.296 -22.058 467 HG23 THR 61 HG23 THR 61 9.217 -0.304 -22.512 468 H ALA 62 H ALA 62 6.603 -3.145 -20.458 469 HA ALA 62 HA ALA 62 6.606 -3.296 -17.519 470 HB1 ALA 62 HB1 ALA 62 4.489 -4.571 -17.466 471 HB2 ALA 62 HB2 ALA 62 4.294 -4.351 -19.207 472 HB3 ALA 62 HB3 ALA 62 4.227 -2.957 -18.132 473 H MET 1 H MET 1 9.033 15.154 -8.672 474 HA MET 1 HA MET 1 9.794 15.048 -5.818 475 HB2 MET 1 HB2 MET 1 8.103 16.836 -6.474 476 HB3 MET 1 HB3 MET 1 7.050 15.557 -7.063 477 HG2 MET 1 HG2 MET 1 6.843 14.651 -4.809 478 HG3 MET 1 HG3 MET 1 7.969 15.860 -4.192 479 HE1 MET 1 HE1 MET 1 7.432 18.492 -4.122 480 HE2 MET 1 HE2 MET 1 5.916 19.186 -4.696 481 HE3 MET 1 HE3 MET 1 7.053 18.483 -5.845 482 H TYR 2 H TYR 2 8.683 13.249 -4.669 483 HA TYR 2 HA TYR 2 8.703 10.829 -6.175 484 HB2 TYR 2 HB2 TYR 2 7.906 9.763 -4.003 485 HB3 TYR 2 HB3 TYR 2 9.458 10.577 -3.969 486 HD1 TYR 2 HD1 TYR 2 5.862 11.675 -3.382 487 HD2 TYR 2 HD2 TYR 2 9.871 11.570 -1.915 488 HE1 TYR 2 HE1 TYR 2 5.154 12.885 -1.362 489 HE2 TYR 2 HE2 TYR 2 9.176 12.774 0.084 490 HH TYR 2 HH TYR 2 7.338 14.272 0.807 491 H LYS 3 H LYS 3 6.870 9.215 -5.925 492 HA LYS 3 HA LYS 3 4.224 10.100 -6.363 493 HB2 LYS 3 HB2 LYS 3 4.303 9.628 -8.946 494 HB3 LYS 3 HB3 LYS 3 4.832 11.194 -8.366 495 HG2 LYS 3 HG2 LYS 3 6.366 10.512 -10.066 496 HG3 LYS 3 HG3 LYS 3 7.214 10.388 -8.524 497 HD2 LYS 3 HD2 LYS 3 6.762 7.912 -8.534 498 HD3 LYS 3 HD3 LYS 3 6.029 8.094 -10.133 499 HE2 LYS 3 HE2 LYS 3 8.914 8.699 -9.402 500 HE3 LYS 3 HE3 LYS 3 8.339 7.311 -10.325 501 HZ1 LYS 3 HZ1 LYS 3 7.591 8.794 -12.056 502 HZ2 LYS 3 HZ2 LYS 3 9.229 9.049 -11.741 503 HZ3 LYS 3 HZ3 LYS 3 8.081 10.145 -11.165 504 H PHE 4 H PHE 4 3.111 8.357 -7.890 505 HA PHE 4 HA PHE 4 3.738 5.710 -6.768 506 HB2 PHE 4 HB2 PHE 4 1.190 6.824 -8.033 507 HB3 PHE 4 HB3 PHE 4 1.377 5.162 -7.474 508 HD1 PHE 4 HD1 PHE 4 1.487 4.638 -5.094 509 HD2 PHE 4 HD2 PHE 4 0.959 8.692 -6.398 510 HE1 PHE 4 HE1 PHE 4 0.817 5.291 -2.825 511 HE2 PHE 4 HE2 PHE 4 0.291 9.319 -4.120 512 HZ PHE 4 HZ PHE 4 0.220 7.623 -2.342 513 H GLU 5 H GLU 5 4.743 4.330 -8.084 514 HA GLU 5 HA GLU 5 4.574 4.628 -11.023 515 HB2 GLU 5 HB2 GLU 5 6.463 2.915 -9.345 516 HB3 GLU 5 HB3 GLU 5 6.491 3.052 -11.099 517 HG2 GLU 5 HG2 GLU 5 6.963 5.497 -10.840 518 HG3 GLU 5 HG3 GLU 5 7.081 5.244 -9.099 519 H ILE 6 H ILE 6 2.946 3.476 -11.916 520 HA ILE 6 HA ILE 6 1.838 1.112 -10.568 521 HB ILE 6 HB ILE 6 0.723 2.647 -12.958 522 HG12 ILE 6 HG12 ILE 6 -0.201 2.941 -10.070 523 HG13 ILE 6 HG13 ILE 6 0.980 4.025 -10.797 524 HG21 ILE 6 HG21 ILE 6 -0.621 0.652 -11.085 525 HG22 ILE 6 HG22 ILE 6 -0.138 0.337 -12.754 526 HG23 ILE 6 HG23 ILE 6 -1.413 1.512 -12.410 527 HD11 ILE 6 HD11 ILE 6 -1.222 4.978 -10.826 528 HD12 ILE 6 HD12 ILE 6 -1.839 3.600 -11.727 529 HD13 ILE 6 HD13 ILE 6 -0.662 4.687 -12.472 530 H TYR 7 H TYR 7 2.483 -0.765 -11.318 531 HA TYR 7 HA TYR 7 3.047 -1.192 -14.153 532 HB2 TYR 7 HB2 TYR 7 5.163 -2.379 -13.628 533 HB3 TYR 7 HB3 TYR 7 5.248 -0.671 -13.203 534 HD1 TYR 7 HD1 TYR 7 4.794 -0.058 -10.702 535 HD2 TYR 7 HD2 TYR 7 5.741 -4.020 -12.005 536 HE1 TYR 7 HE1 TYR 7 5.467 -0.636 -8.417 537 HE2 TYR 7 HE2 TYR 7 6.433 -4.588 -9.707 538 HH TYR 7 HH TYR 7 7.168 -3.507 -7.671 539 H GLN 8 H GLN 8 3.270 -3.575 -14.566 540 HA GLN 8 HA GLN 8 1.672 -5.184 -12.645 541 HB2 GLN 8 HB2 GLN 8 0.764 -6.488 -14.374 542 HB3 GLN 8 HB3 GLN 8 0.710 -4.858 -15.024 543 HG2 GLN 8 HG2 GLN 8 2.940 -5.480 -16.186 544 HG3 GLN 8 HG3 GLN 8 2.528 -7.139 -15.789 545 HE21 GLN 8 HE21 GLN 8 0.599 -8.038 -16.707 546 HE22 GLN 8 HE22 GLN 8 -0.082 -7.404 -18.157 547 H ASP 9 H ASP 9 2.476 -7.193 -12.080 548 HA ASP 9 HA ASP 9 5.310 -7.692 -12.339 549 HB2 ASP 9 HB2 ASP 9 3.993 -8.237 -10.271 550 HB3 ASP 9 HB3 ASP 9 3.070 -9.421 -11.184 551 H LYS 10 H LYS 10 6.109 -9.780 -13.310 552 HA LYS 10 HA LYS 10 5.354 -10.184 -15.944 553 HB2 LYS 10 HB2 LYS 10 6.788 -12.235 -15.887 554 HB3 LYS 10 HB3 LYS 10 7.551 -10.811 -15.206 555 HG2 LYS 10 HG2 LYS 10 8.212 -12.437 -13.690 556 HG3 LYS 10 HG3 LYS 10 6.786 -11.782 -12.894 557 HD2 LYS 10 HD2 LYS 10 6.812 -14.238 -12.744 558 HD3 LYS 10 HD3 LYS 10 5.441 -13.692 -13.711 559 HE2 LYS 10 HE2 LYS 10 6.749 -14.180 -15.784 560 HE3 LYS 10 HE3 LYS 10 8.053 -14.820 -14.780 561 HZ1 LYS 10 HZ1 LYS 10 6.656 -16.570 -15.632 562 HZ2 LYS 10 HZ2 LYS 10 5.282 -15.871 -14.937 563 HZ3 LYS 10 HZ3 LYS 10 6.506 -16.489 -13.952 564 H ALA 11 H ALA 11 4.184 -11.752 -13.093 565 HA ALA 11 HA ALA 11 2.523 -13.781 -14.302 566 HB1 ALA 11 HB1 ALA 11 1.597 -14.053 -12.019 567 HB2 ALA 11 HB2 ALA 11 2.430 -12.579 -11.513 568 HB3 ALA 11 HB3 ALA 11 3.362 -13.995 -12.003 569 H GLY 12 H GLY 12 2.186 -10.646 -14.788 570 HA2 GLY 12 HA2 GLY 12 0.564 -9.224 -15.476 571 HA3 GLY 12 HA3 GLY 12 -0.564 -10.557 -15.436 572 H GLU 13 H GLU 13 1.318 -9.423 -12.676 573 HA GLU 13 HA GLU 13 -1.223 -9.086 -11.186 574 HB2 GLU 13 HB2 GLU 13 1.620 -9.129 -10.083 575 HB3 GLU 13 HB3 GLU 13 0.133 -9.225 -9.151 576 HG2 GLU 13 HG2 GLU 13 1.070 -11.320 -11.127 577 HG3 GLU 13 HG3 GLU 13 1.355 -11.383 -9.391 578 H TYR 14 H TYR 14 -1.788 -7.057 -12.124 579 HA TYR 14 HA TYR 14 -0.258 -4.757 -12.129 580 HB2 TYR 14 HB2 TYR 14 -3.257 -5.152 -11.969 581 HB3 TYR 14 HB3 TYR 14 -2.549 -3.537 -12.010 582 HD1 TYR 14 HD1 TYR 14 -1.279 -2.766 -14.001 583 HD2 TYR 14 HD2 TYR 14 -3.260 -6.549 -14.000 584 HE1 TYR 14 HE1 TYR 14 -1.077 -2.869 -16.447 585 HE2 TYR 14 HE2 TYR 14 -3.039 -6.656 -16.446 586 HH TYR 14 HH TYR 14 -1.011 -4.632 -18.217 587 H ARG 15 H ARG 15 0.169 -3.207 -10.807 588 HA ARG 15 HA ARG 15 -0.508 -3.069 -8.022 589 HB2 ARG 15 HB2 ARG 15 1.901 -3.530 -7.270 590 HB3 ARG 15 HB3 ARG 15 0.970 -4.935 -7.778 591 HG2 ARG 15 HG2 ARG 15 2.073 -4.777 -10.032 592 HG3 ARG 15 HG3 ARG 15 3.102 -3.494 -9.383 593 HD2 ARG 15 HD2 ARG 15 4.243 -5.669 -9.345 594 HD3 ARG 15 HD3 ARG 15 3.992 -5.035 -7.718 595 HE ARG 15 HE ARG 15 1.903 -6.817 -8.556 596 HH11 ARG 15 HH11 ARG 15 5.158 -6.816 -7.213 597 HH12 ARG 15 HH12 ARG 15 4.942 -8.323 -6.388 598 HH21 ARG 15 HH21 ARG 15 1.631 -8.762 -7.455 599 HH22 ARG 15 HH22 ARG 15 2.935 -9.424 -6.523 600 H PHE 16 H PHE 16 1.092 -1.527 -6.911 601 HA PHE 16 HA PHE 16 2.461 0.358 -8.640 602 HB2 PHE 16 HB2 PHE 16 1.329 2.346 -7.685 603 HB3 PHE 16 HB3 PHE 16 0.209 1.340 -8.586 604 HD1 PHE 16 HD1 PHE 16 -1.532 0.004 -7.374 605 HD2 PHE 16 HD2 PHE 16 1.010 2.757 -5.302 606 HE1 PHE 16 HE1 PHE 16 -3.093 0.023 -5.471 607 HE2 PHE 16 HE2 PHE 16 -0.558 2.766 -3.405 608 HZ PHE 16 HZ PHE 16 -2.609 1.401 -3.485 609 H ARG 17 H ARG 17 3.915 1.688 -7.455 610 HA ARG 17 HA ARG 17 4.356 0.948 -4.616 611 HB2 ARG 17 HB2 ARG 17 6.768 0.955 -4.982 612 HB3 ARG 17 HB3 ARG 17 6.038 -0.165 -6.131 613 HG2 ARG 17 HG2 ARG 17 6.257 1.453 -7.931 614 HG3 ARG 17 HG3 ARG 17 6.832 2.685 -6.810 615 HD2 ARG 17 HD2 ARG 17 8.749 1.878 -7.948 616 HD3 ARG 17 HD3 ARG 17 8.811 1.175 -6.335 617 HE ARG 17 HE ARG 17 8.006 -0.924 -7.310 618 HH11 ARG 17 HH11 ARG 17 9.275 1.422 -9.588 619 HH12 ARG 17 HH12 ARG 17 9.824 0.217 -10.710 620 HH21 ARG 17 HH21 ARG 17 8.757 -2.491 -8.778 621 HH22 ARG 17 HH22 ARG 17 9.537 -1.998 -10.245 622 H PHE 18 H PHE 18 5.530 2.640 -3.415 623 HA PHE 18 HA PHE 18 5.091 5.359 -4.562 624 HB2 PHE 18 HB2 PHE 18 3.507 4.900 -2.675 625 HB3 PHE 18 HB3 PHE 18 4.879 4.602 -1.616 626 HD1 PHE 18 HD1 PHE 18 4.398 7.335 -4.159 627 HD2 PHE 18 HD2 PHE 18 4.720 6.327 -0.021 628 HE1 PHE 18 HE1 PHE 18 4.392 9.718 -3.568 629 HE2 PHE 18 HE2 PHE 18 4.681 8.710 0.572 630 HZ PHE 18 HZ PHE 18 4.546 10.405 -1.208 631 H LYS 19 H LYS 19 6.754 6.675 -4.500 632 HA LYS 19 HA LYS 19 9.375 5.462 -3.948 633 HB2 LYS 19 HB2 LYS 19 8.574 7.814 -5.739 634 HB3 LYS 19 HB3 LYS 19 10.191 7.113 -5.612 635 HG2 LYS 19 HG2 LYS 19 7.711 5.658 -6.605 636 HG3 LYS 19 HG3 LYS 19 9.004 6.303 -7.627 637 HD2 LYS 19 HD2 LYS 19 9.477 4.220 -5.447 638 HD3 LYS 19 HD3 LYS 19 9.146 3.788 -7.117 639 HE2 LYS 19 HE2 LYS 19 11.451 5.582 -6.311 640 HE3 LYS 19 HE3 LYS 19 11.586 3.838 -6.444 641 HZ1 LYS 19 HZ1 LYS 19 12.315 4.893 -8.457 642 HZ2 LYS 19 HZ2 LYS 19 10.847 5.713 -8.618 643 HZ3 LYS 19 HZ3 LYS 19 10.896 4.028 -8.771 644 H ALA 20 H ALA 20 11.065 7.278 -3.669 645 HA ALA 20 HA ALA 20 10.276 9.431 -1.837 646 HB1 ALA 20 HB1 ALA 20 12.222 8.956 -0.396 647 HB2 ALA 20 HB2 ALA 20 12.605 7.534 -1.367 648 HB3 ALA 20 HB3 ALA 20 11.117 7.579 -0.425 649 H SER 21 H SER 21 11.854 11.167 -1.837 650 HA SER 21 HA SER 21 12.388 12.381 -4.078 651 HB2 SER 21 HB2 SER 21 14.249 13.653 -2.922 652 HB3 SER 21 HB3 SER 21 12.769 13.478 -1.978 653 HG SER 21 HG SER 21 15.139 12.849 -1.189 654 H ASN 22 H ASN 22 14.758 10.021 -2.817 655 HA ASN 22 HA ASN 22 16.738 10.666 -4.884 656 HB2 ASN 22 HB2 ASN 22 16.865 8.677 -2.577 657 HB3 ASN 22 HB3 ASN 22 18.216 9.127 -3.615 658 HD21 ASN 22 HD21 ASN 22 17.733 9.383 -0.681 659 HD22 ASN 22 HD22 ASN 22 18.058 11.044 -0.326 660 H GLY 23 H GLY 23 14.096 9.085 -5.377 661 HA2 GLY 23 HA2 GLY 23 13.431 7.449 -6.850 662 HA3 GLY 23 HA3 GLY 23 15.118 7.130 -7.219 663 H GLU 24 H GLU 24 14.260 7.066 -3.906 664 HA GLU 24 HA GLU 24 14.715 4.207 -3.611 665 HB2 GLU 24 HB2 GLU 24 13.798 6.254 -1.534 666 HB3 GLU 24 HB3 GLU 24 14.455 4.659 -1.196 667 HG2 GLU 24 HG2 GLU 24 16.001 6.907 -2.522 668 HG3 GLU 24 HG3 GLU 24 16.030 6.565 -0.794 669 H THR 25 H THR 25 13.086 2.723 -2.704 670 HA THR 25 HA THR 25 10.258 3.636 -2.956 671 HB THR 25 HB THR 25 11.344 0.824 -3.425 672 HG1 THR 25 HG1 THR 25 11.788 2.386 -5.081 673 HG21 THR 25 HG21 THR 25 9.082 0.259 -4.229 674 HG22 THR 25 HG22 THR 25 8.521 1.866 -3.772 675 HG23 THR 25 HG23 THR 25 9.048 0.733 -2.527 676 H MET 26 H MET 26 8.925 3.217 -1.297 677 HA MET 26 HA MET 26 10.107 2.062 1.159 678 HB2 MET 26 HB2 MET 26 8.395 3.704 2.321 679 HB3 MET 26 HB3 MET 26 9.964 4.264 1.777 680 HG2 MET 26 HG2 MET 26 8.239 5.881 1.246 681 HG3 MET 26 HG3 MET 26 8.919 5.222 -0.244 682 HE1 MET 26 HE1 MET 26 5.969 5.415 2.153 683 HE2 MET 26 HE2 MET 26 6.332 3.692 2.266 684 HE3 MET 26 HE3 MET 26 4.835 4.232 1.511 685 H PHE 27 H PHE 27 7.300 1.886 -0.980 686 HA PHE 27 HA PHE 27 7.039 -0.782 0.097 687 HB2 PHE 27 HB2 PHE 27 4.754 -0.873 0.706 688 HB3 PHE 27 HB3 PHE 27 5.356 0.579 1.481 689 HD1 PHE 27 HD1 PHE 27 4.765 2.802 0.443 690 HD2 PHE 27 HD2 PHE 27 2.862 -0.771 -0.779 691 HE1 PHE 27 HE1 PHE 27 2.917 4.132 -0.437 692 HE2 PHE 27 HE2 PHE 27 1.000 0.561 -1.675 693 HZ PHE 27 HZ PHE 27 1.015 3.007 -1.513 694 H SER 28 H SER 28 5.764 -2.156 -1.115 695 HA SER 28 HA SER 28 5.069 -1.380 -3.892 696 HB2 SER 28 HB2 SER 28 6.189 -4.091 -3.029 697 HB3 SER 28 HB3 SER 28 5.794 -3.594 -4.679 698 HG SER 28 HG SER 28 8.024 -3.102 -3.178 699 H SER 29 H SER 29 2.945 -2.107 -4.506 700 HA SER 29 HA SER 29 1.313 -2.842 -2.172 701 HB2 SER 29 HB2 SER 29 0.361 -1.790 -4.867 702 HB3 SER 29 HB3 SER 29 -0.595 -1.947 -3.390 703 HG SER 29 HG SER 29 1.650 -0.274 -3.763 704 H GLU 30 H GLU 30 -0.526 -4.206 -2.500 705 HA GLU 30 HA GLU 30 -0.202 -6.601 -4.027 706 HB2 GLU 30 HB2 GLU 30 -1.290 -6.451 -1.780 707 HB3 GLU 30 HB3 GLU 30 -2.578 -5.477 -2.474 708 HG2 GLU 30 HG2 GLU 30 -3.287 -7.374 -3.845 709 HG3 GLU 30 HG3 GLU 30 -1.966 -8.343 -3.203 710 H GLY 31 H GLY 31 -1.588 -3.464 -4.556 711 HA2 GLY 31 HA2 GLY 31 -2.116 -2.451 -6.535 712 HA3 GLY 31 HA3 GLY 31 -2.004 -3.996 -7.349 713 H TYR 32 H TYR 32 -4.004 -4.827 -5.098 714 HA TYR 32 HA TYR 32 -6.200 -4.783 -4.502 715 HB2 TYR 32 HB2 TYR 32 -6.318 -2.331 -4.916 716 HB3 TYR 32 HB3 TYR 32 -6.596 -2.623 -6.624 717 HD1 TYR 32 HD1 TYR 32 -8.120 -2.749 -3.252 718 HD2 TYR 32 HD2 TYR 32 -8.817 -3.333 -7.423 719 HE1 TYR 32 HE1 TYR 32 -10.548 -2.759 -2.849 720 HE2 TYR 32 HE2 TYR 32 -11.235 -3.343 -7.018 721 HH TYR 32 HH TYR 32 -12.619 -2.337 -4.100 722 H LYS 33 H LYS 33 -5.984 -4.335 -8.073 723 HA LYS 33 HA LYS 33 -6.502 -7.112 -8.595 724 HB2 LYS 33 HB2 LYS 33 -8.810 -6.388 -8.050 725 HB3 LYS 33 HB3 LYS 33 -8.718 -5.116 -9.260 726 HG2 LYS 33 HG2 LYS 33 -10.031 -7.048 -10.045 727 HG3 LYS 33 HG3 LYS 33 -8.610 -6.769 -11.057 728 HD2 LYS 33 HD2 LYS 33 -7.418 -8.590 -9.830 729 HD3 LYS 33 HD3 LYS 33 -8.879 -8.887 -8.884 730 HE2 LYS 33 HE2 LYS 33 -10.074 -9.618 -10.861 731 HE3 LYS 33 HE3 LYS 33 -8.743 -9.121 -11.912 732 HZ1 LYS 33 HZ1 LYS 33 -7.349 -10.789 -10.882 733 HZ2 LYS 33 HZ2 LYS 33 -8.738 -11.501 -11.529 734 HZ3 LYS 33 HZ3 LYS 33 -8.610 -11.259 -9.863 735 H ALA 34 H ALA 34 -7.112 -4.006 -10.269 736 HA ALA 34 HA ALA 34 -5.521 -4.945 -12.605 737 HB1 ALA 34 HB1 ALA 34 -7.257 -3.954 -14.061 738 HB2 ALA 34 HB2 ALA 34 -8.215 -3.524 -12.641 739 HB3 ALA 34 HB3 ALA 34 -7.941 -5.221 -13.037 740 H LYS 35 H LYS 35 -5.251 -2.760 -14.179 741 HA LYS 35 HA LYS 35 -3.760 -0.975 -12.524 742 HB2 LYS 35 HB2 LYS 35 -3.266 0.272 -14.645 743 HB3 LYS 35 HB3 LYS 35 -2.802 -1.411 -14.649 744 HG2 LYS 35 HG2 LYS 35 -3.638 -1.173 -16.783 745 HG3 LYS 35 HG3 LYS 35 -5.055 -1.792 -15.935 746 HD2 LYS 35 HD2 LYS 35 -6.001 0.460 -15.804 747 HD3 LYS 35 HD3 LYS 35 -4.536 1.153 -16.500 748 HE2 LYS 35 HE2 LYS 35 -6.385 0.978 -18.142 749 HE3 LYS 35 HE3 LYS 35 -4.967 0.047 -18.623 750 HZ1 LYS 35 HZ1 LYS 35 -7.421 -1.059 -17.370 751 HZ2 LYS 35 HZ2 LYS 35 -6.062 -1.954 -17.823 752 HZ3 LYS 35 HZ3 LYS 35 -6.994 -1.181 -19.001 753 H ALA 36 H ALA 36 -6.832 -0.684 -14.343 754 HA ALA 36 HA ALA 36 -7.461 1.970 -13.714 755 HB1 ALA 36 HB1 ALA 36 -9.817 1.374 -14.145 756 HB2 ALA 36 HB2 ALA 36 -9.409 -0.342 -14.044 757 HB3 ALA 36 HB3 ALA 36 -8.750 0.642 -15.349 758 H SER 37 H SER 37 -8.094 -1.017 -11.928 759 HA SER 37 HA SER 37 -9.425 0.077 -9.678 760 HB2 SER 37 HB2 SER 37 -7.767 -2.474 -9.754 761 HB3 SER 37 HB3 SER 37 -9.160 -2.120 -8.730 762 HG SER 37 HG SER 37 -10.490 -2.383 -10.428 763 H ALA 38 H ALA 38 -6.050 -0.319 -10.549 764 HA ALA 38 HA ALA 38 -4.902 0.061 -7.977 765 HB1 ALA 38 HB1 ALA 38 -3.593 0.419 -10.695 766 HB2 ALA 38 HB2 ALA 38 -3.650 -1.076 -9.765 767 HB3 ALA 38 HB3 ALA 38 -2.751 0.310 -9.144 768 H ILE 39 H ILE 39 -5.369 2.334 -10.810 769 HA ILE 39 HA ILE 39 -4.557 4.682 -9.588 770 HB ILE 39 HB ILE 39 -6.642 4.186 -11.751 771 HG12 ILE 39 HG12 ILE 39 -4.985 5.683 -13.089 772 HG13 ILE 39 HG13 ILE 39 -3.887 5.501 -11.729 773 HG21 ILE 39 HG21 ILE 39 -5.993 6.937 -10.622 774 HG22 ILE 39 HG22 ILE 39 -7.555 6.119 -10.564 775 HG23 ILE 39 HG23 ILE 39 -6.896 6.642 -12.112 776 HD11 ILE 39 HD11 ILE 39 -4.952 3.282 -13.458 777 HD12 ILE 39 HD12 ILE 39 -3.815 3.101 -12.118 778 HD13 ILE 39 HD13 ILE 39 -3.351 4.015 -13.553 779 H HIS 40 H HIS 40 -7.786 3.123 -9.475 780 HA HIS 40 HA HIS 40 -9.140 5.059 -7.947 781 HB2 HIS 40 HB2 HIS 40 -9.607 2.125 -8.474 782 HB3 HIS 40 HB3 HIS 40 -10.544 2.888 -7.195 783 HD1 HIS 40 HD1 HIS 40 -12.438 4.428 -7.873 784 HD2 HIS 40 HD2 HIS 40 -10.205 3.104 -11.115 785 HE1 HIS 40 HE1 HIS 40 -13.758 5.066 -9.902 786 HE2 HIS 40 HE2 HIS 40 -12.467 4.115 -11.837 787 H ALA 41 H ALA 41 -7.204 2.256 -6.907 788 HA ALA 41 HA ALA 41 -7.457 2.547 -4.147 789 HB1 ALA 41 HB1 ALA 41 -5.376 1.239 -4.016 790 HB2 ALA 41 HB2 ALA 41 -5.059 1.539 -5.728 791 HB3 ALA 41 HB3 ALA 41 -6.452 0.571 -5.247 792 H ILE 42 H ILE 42 -4.958 3.836 -6.349 793 HA ILE 42 HA ILE 42 -3.556 5.382 -4.489 794 HB ILE 42 HB ILE 42 -3.861 5.819 -7.482 795 HG12 ILE 42 HG12 ILE 42 -1.580 4.448 -5.986 796 HG13 ILE 42 HG13 ILE 42 -2.943 3.566 -6.667 797 HG21 ILE 42 HG21 ILE 42 -1.758 6.946 -5.586 798 HG22 ILE 42 HG22 ILE 42 -3.007 7.865 -6.428 799 HG23 ILE 42 HG23 ILE 42 -1.724 7.083 -7.349 800 HD11 ILE 42 HD11 ILE 42 -2.345 4.326 -8.881 801 HD12 ILE 42 HD12 ILE 42 -1.011 3.486 -8.094 802 HD13 ILE 42 HD13 ILE 42 -0.990 5.243 -8.212 803 H GLU 43 H GLU 43 -6.611 5.987 -6.068 804 HA GLU 43 HA GLU 43 -6.670 8.824 -5.843 805 HB2 GLU 43 HB2 GLU 43 -8.904 6.786 -6.101 806 HB3 GLU 43 HB3 GLU 43 -9.234 8.508 -5.930 807 HG2 GLU 43 HG2 GLU 43 -7.933 8.930 -8.016 808 HG3 GLU 43 HG3 GLU 43 -7.712 7.190 -8.197 809 H SER 44 H SER 44 -7.677 6.134 -3.729 810 HA SER 44 HA SER 44 -8.773 7.495 -1.560 811 HB2 SER 44 HB2 SER 44 -7.034 5.010 -1.686 812 HB3 SER 44 HB3 SER 44 -7.712 5.572 -0.164 813 HG SER 44 HG SER 44 -8.986 4.532 -2.455 814 H ILE 45 H ILE 45 -5.370 7.100 -2.463 815 HA ILE 45 HA ILE 45 -4.295 7.960 0.025 816 HB ILE 45 HB ILE 45 -2.637 8.304 -2.515 817 HG12 ILE 45 HG12 ILE 45 -3.806 6.038 -2.707 818 HG13 ILE 45 HG13 ILE 45 -2.052 5.958 -2.644 819 HG21 ILE 45 HG21 ILE 45 -1.687 8.922 -0.352 820 HG22 ILE 45 HG22 ILE 45 -0.851 7.499 -0.976 821 HG23 ILE 45 HG23 ILE 45 -2.070 7.321 0.304 822 HD11 ILE 45 HD11 ILE 45 -3.975 5.338 -0.420 823 HD12 ILE 45 HD12 ILE 45 -2.215 5.329 -0.265 824 HD13 ILE 45 HD13 ILE 45 -3.010 4.199 -1.354 825 H LYS 46 H LYS 46 -4.968 9.529 -3.082 826 HA LYS 46 HA LYS 46 -3.781 12.007 -2.623 827 HB2 LYS 46 HB2 LYS 46 -6.210 11.718 -4.421 828 HB3 LYS 46 HB3 LYS 46 -4.803 12.749 -4.626 829 HG2 LYS 46 HG2 LYS 46 -5.093 9.802 -5.191 830 HG3 LYS 46 HG3 LYS 46 -4.594 11.089 -6.283 831 HD2 LYS 46 HD2 LYS 46 -2.921 10.125 -3.926 832 HD3 LYS 46 HD3 LYS 46 -2.766 9.483 -5.555 833 HE2 LYS 46 HE2 LYS 46 -2.377 12.405 -4.910 834 HE3 LYS 46 HE3 LYS 46 -1.086 11.226 -4.879 835 HZ1 LYS 46 HZ1 LYS 46 -1.462 10.755 -7.194 836 HZ2 LYS 46 HZ2 LYS 46 -1.244 12.421 -6.999 837 HZ3 LYS 46 HZ3 LYS 46 -2.791 11.794 -7.234 838 H ARG 47 H ARG 47 -6.759 10.764 -1.509 839 HA ARG 47 HA ARG 47 -8.218 13.227 -1.293 840 HB2 ARG 47 HB2 ARG 47 -8.835 10.591 0.105 841 HB3 ARG 47 HB3 ARG 47 -9.944 11.940 -0.125 842 HG2 ARG 47 HG2 ARG 47 -8.849 10.057 -2.213 843 HG3 ARG 47 HG3 ARG 47 -10.525 10.263 -1.727 844 HD2 ARG 47 HD2 ARG 47 -10.688 12.363 -2.855 845 HD3 ARG 47 HD3 ARG 47 -8.939 12.499 -3.034 846 HE ARG 47 HE ARG 47 -10.292 10.288 -4.407 847 HH11 ARG 47 HH11 ARG 47 -8.676 13.402 -4.668 848 HH12 ARG 47 HH12 ARG 47 -8.484 13.293 -6.388 849 HH21 ARG 47 HH21 ARG 47 -10.048 10.174 -6.684 850 HH22 ARG 47 HH22 ARG 47 -9.264 11.471 -7.527 851 H ASN 48 H ASN 48 -6.560 11.175 1.118 852 HA ASN 48 HA ASN 48 -6.136 13.316 2.970 853 HB2 ASN 48 HB2 ASN 48 -8.679 12.935 3.144 854 HB3 ASN 48 HB3 ASN 48 -8.312 11.405 3.923 855 HD21 ASN 48 HD21 ASN 48 -7.529 11.429 6.065 856 HD22 ASN 48 HD22 ASN 48 -7.552 12.850 7.047 857 H SER 49 H SER 49 -4.890 10.690 1.853 858 HA SER 49 HA SER 49 -4.449 8.978 4.102 859 HB2 SER 49 HB2 SER 49 -4.166 8.280 1.738 860 HB3 SER 49 HB3 SER 49 -2.712 9.269 1.639 861 HG SER 49 HG SER 49 -3.096 6.812 2.753 862 H ALA 50 H ALA 50 -2.640 11.749 2.794 863 HA ALA 50 HA ALA 50 -0.458 11.670 4.572 864 HB1 ALA 50 HB1 ALA 50 -0.097 14.024 3.957 865 HB2 ALA 50 HB2 ALA 50 -1.706 14.088 3.228 866 HB3 ALA 50 HB3 ALA 50 -0.465 13.039 2.537 867 H GLY 51 H GLY 51 -3.757 12.688 5.037 868 HA2 GLY 51 HA2 GLY 51 -3.214 13.742 7.744 869 HA3 GLY 51 HA3 GLY 51 -4.707 13.912 6.837 870 H ALA 52 H ALA 52 -4.030 10.789 6.311 871 HA ALA 52 HA ALA 52 -5.919 9.687 8.092 872 HB1 ALA 52 HB1 ALA 52 -3.750 8.235 6.527 873 HB2 ALA 52 HB2 ALA 52 -5.353 8.656 5.918 874 HB3 ALA 52 HB3 ALA 52 -5.198 7.499 7.240 875 H ASP 53 H ASP 53 -5.332 7.718 9.544 876 HA ASP 53 HA ASP 53 -3.216 8.596 11.414 877 HB2 ASP 53 HB2 ASP 53 -5.622 8.369 12.206 878 HB3 ASP 53 HB3 ASP 53 -5.498 6.637 11.920 879 H THR 54 H THR 54 -1.846 6.956 12.383 880 HA THR 54 HA THR 54 -1.350 4.581 10.670 881 HB THR 54 HB THR 54 0.664 6.021 12.461 882 HG1 THR 54 HG1 THR 54 1.443 6.540 10.140 883 HG21 THR 54 HG21 THR 54 1.034 3.925 10.285 884 HG22 THR 54 HG22 THR 54 1.278 3.673 12.014 885 HG23 THR 54 HG23 THR 54 2.348 4.760 11.119 886 H VAL 55 H VAL 55 -2.121 2.797 11.603 887 HA VAL 55 HA VAL 55 -2.250 2.480 14.551 888 HB VAL 55 HB VAL 55 -4.133 1.327 12.426 889 HG11 VAL 55 HG11 VAL 55 -4.362 1.276 15.455 890 HG12 VAL 55 HG12 VAL 55 -4.006 -0.098 14.409 891 HG13 VAL 55 HG13 VAL 55 -5.583 0.686 14.325 892 HG21 VAL 55 HG21 VAL 55 -4.423 3.759 12.571 893 HG22 VAL 55 HG22 VAL 55 -4.656 3.646 14.317 894 HG23 VAL 55 HG23 VAL 55 -5.832 2.918 13.219 895 H ASP 56 H ASP 56 -0.882 0.826 15.194 896 HA ASP 56 HA ASP 56 -0.266 -1.363 13.311 897 HB2 ASP 56 HB2 ASP 56 1.657 -1.901 14.795 898 HB3 ASP 56 HB3 ASP 56 1.719 -0.268 14.154 899 H LEU 57 H LEU 57 -1.603 -2.987 13.434 900 HA LEU 57 HA LEU 57 -3.079 -3.796 15.755 901 HB2 LEU 57 HB2 LEU 57 -2.734 -4.931 12.963 902 HB3 LEU 57 HB3 LEU 57 -3.685 -5.767 14.177 903 HG LEU 57 HG LEU 57 -5.336 -3.983 14.233 904 HD11 LEU 57 HD11 LEU 57 -5.241 -1.996 12.791 905 HD12 LEU 57 HD12 LEU 57 -3.613 -2.441 12.268 906 HD13 LEU 57 HD13 LEU 57 -3.912 -2.007 13.952 907 HD21 LEU 57 HD21 LEU 57 -6.196 -4.138 11.932 908 HD22 LEU 57 HD22 LEU 57 -5.566 -5.690 12.484 909 HD23 LEU 57 HD23 LEU 57 -4.611 -4.696 11.378 910 H THR 58 H THR 58 0.086 -4.564 14.583 911 HA THR 58 HA THR 58 0.063 -7.329 15.594 912 HB THR 58 HB THR 58 0.920 -6.939 13.288 913 HG1 THR 58 HG1 THR 58 2.959 -7.821 15.060 914 HG21 THR 58 HG21 THR 58 3.170 -5.374 14.607 915 HG22 THR 58 HG22 THR 58 1.943 -4.707 13.525 916 HG23 THR 58 HG23 THR 58 3.129 -5.866 12.915 917 H THR 59 H THR 59 0.350 -4.548 17.019 918 HA THR 59 HA THR 59 2.577 -3.698 18.022 919 HB THR 59 HB THR 59 0.486 -4.352 20.067 920 HG1 THR 59 HG1 THR 59 0.293 -2.417 17.984 921 HG21 THR 59 HG21 THR 59 0.974 -2.075 20.864 922 HG22 THR 59 HG22 THR 59 2.111 -1.853 19.533 923 HG23 THR 59 HG23 THR 59 2.456 -3.035 20.800 924 H MET 60 H MET 60 1.085 -6.522 19.659 925 HA MET 60 HA MET 60 3.526 -7.316 20.985 926 HB2 MET 60 HB2 MET 60 0.918 -8.839 20.523 927 HB3 MET 60 HB3 MET 60 2.244 -9.411 21.533 928 HG2 MET 60 HG2 MET 60 0.578 -6.928 22.013 929 HG3 MET 60 HG3 MET 60 0.461 -8.452 22.897 930 HE1 MET 60 HE1 MET 60 2.054 -6.153 25.640 931 HE2 MET 60 HE2 MET 60 0.803 -7.347 25.293 932 HE3 MET 60 HE3 MET 60 0.762 -5.768 24.504 933 H THR 61 H THR 61 4.970 -7.291 19.190 934 HA THR 61 HA THR 61 4.407 -8.716 16.756 935 HB THR 61 HB THR 61 6.715 -7.967 16.083 936 HG1 THR 61 HG1 THR 61 7.806 -7.874 18.017 937 HG21 THR 61 HG21 THR 61 6.205 -5.549 16.019 938 HG22 THR 61 HG22 THR 61 4.944 -5.774 17.231 939 HG23 THR 61 HG23 THR 61 4.776 -6.507 15.634 940 H ALA 62 H ALA 62 4.886 -10.747 16.272 941 HA ALA 62 HA ALA 62 6.244 -12.512 18.092 942 HB1 ALA 62 HB1 ALA 62 5.715 -14.256 16.428 943 HB2 ALA 62 HB2 ALA 62 5.188 -13.024 15.282 944 HB3 ALA 62 HB3 ALA 62 4.297 -13.261 16.785 Start of MODEL 10 1 H MET 1 H MET 1 -12.707 8.673 11.396 2 HA MET 1 HA MET 1 -11.964 8.328 9.140 3 HB2 MET 1 HB2 MET 1 -10.893 10.057 10.683 4 HB3 MET 1 HB3 MET 1 -9.591 8.915 10.970 5 HG2 MET 1 HG2 MET 1 -8.995 8.985 8.588 6 HG3 MET 1 HG3 MET 1 -10.320 10.107 8.283 7 HE1 MET 1 HE1 MET 1 -10.082 11.919 11.036 8 HE2 MET 1 HE2 MET 1 -10.437 12.575 9.437 9 HE3 MET 1 HE3 MET 1 -9.125 13.254 10.397 10 H TYR 2 H TYR 2 -10.596 7.259 7.646 11 HA TYR 2 HA TYR 2 -9.704 4.623 8.303 12 HB2 TYR 2 HB2 TYR 2 -8.743 4.646 5.945 13 HB3 TYR 2 HB3 TYR 2 -10.477 4.840 6.111 14 HD1 TYR 2 HD1 TYR 2 -7.591 7.316 6.136 15 HD2 TYR 2 HD2 TYR 2 -11.303 6.138 4.375 16 HE1 TYR 2 HE1 TYR 2 -7.492 9.243 4.616 17 HE2 TYR 2 HE2 TYR 2 -11.191 8.058 2.868 18 HH TYR 2 HH TYR 2 -10.145 10.202 2.692 19 H LYS 3 H LYS 3 -7.381 3.935 7.554 20 HA LYS 3 HA LYS 3 -5.256 5.538 8.502 21 HB2 LYS 3 HB2 LYS 3 -4.972 4.123 10.724 22 HB3 LYS 3 HB3 LYS 3 -6.009 5.531 10.694 23 HG2 LYS 3 HG2 LYS 3 -7.053 3.785 11.979 24 HG3 LYS 3 HG3 LYS 3 -8.003 4.095 10.527 25 HD2 LYS 3 HD2 LYS 3 -7.139 2.058 9.484 26 HD3 LYS 3 HD3 LYS 3 -6.048 1.788 10.849 27 HE2 LYS 3 HE2 LYS 3 -8.024 0.338 11.017 28 HE3 LYS 3 HE3 LYS 3 -7.989 1.491 12.347 29 HZ1 LYS 3 HZ1 LYS 3 -10.194 1.258 11.408 30 HZ2 LYS 3 HZ2 LYS 3 -9.636 1.743 9.893 31 HZ3 LYS 3 HZ3 LYS 3 -9.623 2.835 11.185 32 H PHE 4 H PHE 4 -3.417 4.044 9.376 33 HA PHE 4 HA PHE 4 -3.000 1.918 7.382 34 HB2 PHE 4 HB2 PHE 4 -1.024 3.560 9.024 35 HB3 PHE 4 HB3 PHE 4 -0.557 2.217 7.982 36 HD1 PHE 4 HD1 PHE 4 -1.828 5.696 8.038 37 HD2 PHE 4 HD2 PHE 4 -0.573 2.440 5.557 38 HE1 PHE 4 HE1 PHE 4 -1.705 7.208 6.102 39 HE2 PHE 4 HE2 PHE 4 -0.445 3.966 3.638 40 HZ PHE 4 HZ PHE 4 -1.009 6.342 3.907 41 H GLU 5 H GLU 5 -3.366 -0.028 8.120 42 HA GLU 5 HA GLU 5 -3.247 -0.631 11.001 43 HB2 GLU 5 HB2 GLU 5 -4.484 -2.175 8.687 44 HB3 GLU 5 HB3 GLU 5 -4.367 -2.816 10.322 45 HG2 GLU 5 HG2 GLU 5 -5.722 -0.889 11.128 46 HG3 GLU 5 HG3 GLU 5 -5.919 -0.361 9.451 47 H ILE 6 H ILE 6 -1.293 -1.264 11.673 48 HA ILE 6 HA ILE 6 0.565 -2.623 9.822 49 HB ILE 6 HB ILE 6 1.230 -1.406 12.546 50 HG12 ILE 6 HG12 ILE 6 1.729 0.025 9.901 51 HG13 ILE 6 HG13 ILE 6 0.283 0.312 10.863 52 HG21 ILE 6 HG21 ILE 6 3.563 -1.480 11.733 53 HG22 ILE 6 HG22 ILE 6 3.021 -2.125 10.182 54 HG23 ILE 6 HG23 ILE 6 2.828 -3.090 11.653 55 HD11 ILE 6 HD11 ILE 6 1.682 1.053 12.736 56 HD12 ILE 6 HD12 ILE 6 1.961 2.002 11.277 57 HD13 ILE 6 HD13 ILE 6 3.123 0.770 11.755 58 H TYR 7 H TYR 7 0.695 -4.736 10.153 59 HA TYR 7 HA TYR 7 0.604 -5.858 12.857 60 HB2 TYR 7 HB2 TYR 7 -0.944 -7.678 12.145 61 HB3 TYR 7 HB3 TYR 7 -1.716 -6.100 12.075 62 HD1 TYR 7 HD1 TYR 7 -2.135 -5.015 9.823 63 HD2 TYR 7 HD2 TYR 7 -0.675 -9.026 10.139 64 HE1 TYR 7 HE1 TYR 7 -2.754 -5.428 7.487 65 HE2 TYR 7 HE2 TYR 7 -1.300 -9.428 7.800 66 HH TYR 7 HH TYR 7 -2.826 -8.580 6.143 67 H GLN 8 H GLN 8 1.093 -8.365 12.540 68 HA GLN 8 HA GLN 8 3.007 -8.742 10.324 69 HB2 GLN 8 HB2 GLN 8 4.572 -9.901 11.610 70 HB3 GLN 8 HB3 GLN 8 4.088 -8.595 12.677 71 HG2 GLN 8 HG2 GLN 8 2.538 -10.260 13.806 72 HG3 GLN 8 HG3 GLN 8 3.306 -11.504 12.843 73 HE21 GLN 8 HE21 GLN 8 5.972 -10.498 12.912 74 HE22 GLN 8 HE22 GLN 8 6.567 -10.680 14.520 75 H ASP 9 H ASP 9 3.084 -10.795 9.466 76 HA ASP 9 HA ASP 9 0.541 -12.168 9.398 77 HB2 ASP 9 HB2 ASP 9 1.655 -11.400 7.293 78 HB3 ASP 9 HB3 ASP 9 3.052 -12.397 7.666 79 H LYS 10 H LYS 10 0.570 -14.563 9.286 80 HA LYS 10 HA LYS 10 1.480 -15.995 11.409 81 HB2 LYS 10 HB2 LYS 10 -0.218 -16.821 9.843 82 HB3 LYS 10 HB3 LYS 10 0.987 -16.976 8.570 83 HG2 LYS 10 HG2 LYS 10 2.150 -18.705 10.031 84 HG3 LYS 10 HG3 LYS 10 0.745 -18.641 11.097 85 HD2 LYS 10 HD2 LYS 10 -0.699 -19.390 9.235 86 HD3 LYS 10 HD3 LYS 10 0.699 -19.405 8.153 87 HE2 LYS 10 HE2 LYS 10 1.736 -21.188 9.468 88 HE3 LYS 10 HE3 LYS 10 0.415 -21.130 10.638 89 HZ1 LYS 10 HZ1 LYS 10 -1.098 -21.833 8.908 90 HZ2 LYS 10 HZ2 LYS 10 0.157 -22.952 9.087 91 HZ3 LYS 10 HZ3 LYS 10 0.158 -21.881 7.781 92 H ALA 11 H ALA 11 3.199 -15.415 8.402 93 HA ALA 11 HA ALA 11 5.460 -17.146 8.944 94 HB1 ALA 11 HB1 ALA 11 5.130 -14.981 6.843 95 HB2 ALA 11 HB2 ALA 11 4.714 -16.684 6.646 96 HB3 ALA 11 HB3 ALA 11 6.399 -16.209 6.874 97 H GLY 12 H GLY 12 4.663 -14.619 10.650 98 HA2 GLY 12 HA2 GLY 12 5.613 -13.072 12.000 99 HA3 GLY 12 HA3 GLY 12 7.151 -13.849 11.696 100 H GLU 13 H GLU 13 5.001 -12.343 9.313 101 HA GLU 13 HA GLU 13 7.278 -10.594 8.501 102 HB2 GLU 13 HB2 GLU 13 5.021 -11.733 6.797 103 HB3 GLU 13 HB3 GLU 13 6.226 -10.581 6.216 104 HG2 GLU 13 HG2 GLU 13 8.011 -12.262 6.780 105 HG3 GLU 13 HG3 GLU 13 6.739 -13.417 7.177 106 H TYR 14 H TYR 14 6.983 -8.418 8.584 107 HA TYR 14 HA TYR 14 4.479 -7.488 9.792 108 HB2 TYR 14 HB2 TYR 14 7.177 -6.098 9.499 109 HB3 TYR 14 HB3 TYR 14 5.729 -5.295 10.099 110 HD1 TYR 14 HD1 TYR 14 4.778 -5.884 12.309 111 HD2 TYR 14 HD2 TYR 14 8.371 -7.720 10.911 112 HE1 TYR 14 HE1 TYR 14 5.262 -6.676 14.582 113 HE2 TYR 14 HE2 TYR 14 8.845 -8.521 13.178 114 HH TYR 14 HH TYR 14 6.545 -8.421 15.685 115 H ARG 15 H ARG 15 3.112 -6.482 8.654 116 HA ARG 15 HA ARG 15 3.635 -5.224 6.053 117 HB2 ARG 15 HB2 ARG 15 1.295 -7.143 6.357 118 HB3 ARG 15 HB3 ARG 15 1.904 -6.415 4.876 119 HG2 ARG 15 HG2 ARG 15 3.714 -7.927 4.736 120 HG3 ARG 15 HG3 ARG 15 3.605 -8.362 6.443 121 HD2 ARG 15 HD2 ARG 15 1.546 -9.584 6.051 122 HD3 ARG 15 HD3 ARG 15 1.505 -9.036 4.379 123 HE ARG 15 HE ARG 15 3.876 -10.535 5.087 124 HH11 ARG 15 HH11 ARG 15 0.603 -10.783 3.842 125 HH12 ARG 15 HH12 ARG 15 0.857 -12.350 3.142 126 HH21 ARG 15 HH21 ARG 15 4.210 -12.602 4.146 127 HH22 ARG 15 HH22 ARG 15 2.899 -13.379 3.311 128 H PHE 16 H PHE 16 2.449 -3.376 5.833 129 HA PHE 16 HA PHE 16 0.142 -2.975 7.627 130 HB2 PHE 16 HB2 PHE 16 0.409 -0.543 7.260 131 HB3 PHE 16 HB3 PHE 16 1.835 -1.255 7.991 132 HD1 PHE 16 HD1 PHE 16 3.939 -1.470 6.679 133 HD2 PHE 16 HD2 PHE 16 0.525 0.520 5.052 134 HE1 PHE 16 HE1 PHE 16 5.359 -0.418 4.972 135 HE2 PHE 16 HE2 PHE 16 1.964 1.573 3.355 136 HZ PHE 16 HZ PHE 16 4.376 1.105 3.310 137 H ARG 17 H ARG 17 -1.589 -1.771 6.725 138 HA ARG 17 HA ARG 17 -1.954 -1.827 3.792 139 HB2 ARG 17 HB2 ARG 17 -4.215 -2.752 4.062 140 HB3 ARG 17 HB3 ARG 17 -3.045 -3.839 4.808 141 HG2 ARG 17 HG2 ARG 17 -3.663 -2.494 7.007 142 HG3 ARG 17 HG3 ARG 17 -5.120 -2.086 6.105 143 HD2 ARG 17 HD2 ARG 17 -4.167 -4.912 6.667 144 HD3 ARG 17 HD3 ARG 17 -5.367 -4.046 7.627 145 HE ARG 17 HE ARG 17 -5.824 -4.595 4.753 146 HH11 ARG 17 HH11 ARG 17 -6.936 -4.756 8.074 147 HH12 ARG 17 HH12 ARG 17 -8.355 -5.677 7.690 148 HH21 ARG 17 HH21 ARG 17 -7.707 -5.811 4.256 149 HH22 ARG 17 HH22 ARG 17 -8.798 -6.261 5.528 150 H PHE 18 H PHE 18 -3.710 -0.342 3.104 151 HA PHE 18 HA PHE 18 -4.304 1.795 5.086 152 HB2 PHE 18 HB2 PHE 18 -2.770 2.671 3.322 153 HB3 PHE 18 HB3 PHE 18 -3.922 2.182 2.085 154 HD1 PHE 18 HD1 PHE 18 -4.445 3.942 5.374 155 HD2 PHE 18 HD2 PHE 18 -4.691 4.173 1.113 156 HE1 PHE 18 HE1 PHE 18 -5.486 6.157 5.546 157 HE2 PHE 18 HE2 PHE 18 -5.714 6.395 1.286 158 HZ PHE 18 HZ PHE 18 -6.140 7.376 3.508 159 H LYS 19 H LYS 19 -6.347 2.313 5.298 160 HA LYS 19 HA LYS 19 -8.333 0.499 4.105 161 HB2 LYS 19 HB2 LYS 19 -8.351 2.135 6.687 162 HB3 LYS 19 HB3 LYS 19 -9.609 1.003 6.180 163 HG2 LYS 19 HG2 LYS 19 -6.716 0.279 6.791 164 HG3 LYS 19 HG3 LYS 19 -8.098 -0.005 7.860 165 HD2 LYS 19 HD2 LYS 19 -7.848 -1.185 5.053 166 HD3 LYS 19 HD3 LYS 19 -7.361 -2.042 6.513 167 HE2 LYS 19 HE2 LYS 19 -10.172 -0.981 6.084 168 HE3 LYS 19 HE3 LYS 19 -9.667 -2.595 5.617 169 HZ1 LYS 19 HZ1 LYS 19 -10.685 -2.688 7.757 170 HZ2 LYS 19 HZ2 LYS 19 -9.684 -1.464 8.352 171 HZ3 LYS 19 HZ3 LYS 19 -9.028 -2.971 7.962 172 H ALA 20 H ALA 20 -10.589 1.511 4.381 173 HA ALA 20 HA ALA 20 -10.817 4.287 3.419 174 HB1 ALA 20 HB1 ALA 20 -12.393 1.882 2.409 175 HB2 ALA 20 HB2 ALA 20 -11.177 2.781 1.498 176 HB3 ALA 20 HB3 ALA 20 -12.689 3.564 1.959 177 H SER 21 H SER 21 -13.708 4.621 3.778 178 HA SER 21 HA SER 21 -13.302 5.177 6.580 179 HB2 SER 21 HB2 SER 21 -15.463 6.454 6.233 180 HB3 SER 21 HB3 SER 21 -14.176 6.932 5.125 181 HG SER 21 HG SER 21 -15.520 6.472 3.588 182 H ASN 22 H ASN 22 -15.255 3.051 4.515 183 HA ASN 22 HA ASN 22 -16.981 2.138 6.715 184 HB2 ASN 22 HB2 ASN 22 -17.014 1.375 3.760 185 HB3 ASN 22 HB3 ASN 22 -18.216 0.891 4.955 186 HD21 ASN 22 HD21 ASN 22 -17.023 3.489 2.965 187 HD22 ASN 22 HD22 ASN 22 -18.340 4.576 3.233 188 H GLY 23 H GLY 23 -13.973 1.465 6.272 189 HA2 GLY 23 HA2 GLY 23 -12.711 -0.242 7.158 190 HA3 GLY 23 HA3 GLY 23 -14.152 -1.225 7.313 191 H GLU 24 H GLU 24 -13.535 0.096 4.192 192 HA GLU 24 HA GLU 24 -12.873 -2.517 3.051 193 HB2 GLU 24 HB2 GLU 24 -13.101 0.216 1.697 194 HB3 GLU 24 HB3 GLU 24 -12.990 -1.340 0.872 195 HG2 GLU 24 HG2 GLU 24 -15.269 -0.455 2.674 196 HG3 GLU 24 HG3 GLU 24 -15.287 -0.435 0.914 197 H THR 25 H THR 25 -10.888 -2.927 1.810 198 HA THR 25 HA THR 25 -8.602 -1.153 2.532 199 HB THR 25 HB THR 25 -8.353 -4.124 1.908 200 HG1 THR 25 HG1 THR 25 -9.589 -3.747 3.809 201 HG21 THR 25 HG21 THR 25 -6.423 -2.204 3.250 202 HG22 THR 25 HG22 THR 25 -6.254 -2.840 1.610 203 HG23 THR 25 HG23 THR 25 -6.150 -3.926 2.998 204 H MET 26 H MET 26 -6.996 -0.863 0.973 205 HA MET 26 HA MET 26 -7.798 -1.331 -1.842 206 HB2 MET 26 HB2 MET 26 -6.902 1.051 -2.280 207 HB3 MET 26 HB3 MET 26 -8.478 0.879 -1.531 208 HG2 MET 26 HG2 MET 26 -7.267 2.667 -0.470 209 HG3 MET 26 HG3 MET 26 -7.464 1.344 0.681 210 HE1 MET 26 HE1 MET 26 -3.552 2.394 -1.479 211 HE2 MET 26 HE2 MET 26 -5.090 3.222 -1.719 212 HE3 MET 26 HE3 MET 26 -4.876 1.566 -2.293 213 H PHE 27 H PHE 27 -5.026 -0.764 0.369 214 HA PHE 27 HA PHE 27 -3.547 -2.635 -1.322 215 HB2 PHE 27 HB2 PHE 27 -1.675 -1.360 -1.762 216 HB3 PHE 27 HB3 PHE 27 -2.870 -0.089 -1.778 217 HD1 PHE 27 HD1 PHE 27 -0.023 -1.565 0.098 218 HD2 PHE 27 HD2 PHE 27 -2.816 1.650 -0.099 219 HE1 PHE 27 HE1 PHE 27 1.309 -0.260 1.722 220 HE2 PHE 27 HE2 PHE 27 -1.533 2.939 1.480 221 HZ PHE 27 HZ PHE 27 0.563 1.996 2.413 222 H SER 28 H SER 28 -1.736 -3.559 -0.293 223 HA SER 28 HA SER 28 -1.452 -3.575 2.611 224 HB2 SER 28 HB2 SER 28 -3.633 -4.814 2.222 225 HB3 SER 28 HB3 SER 28 -2.735 -6.012 1.296 226 HG SER 28 HG SER 28 -3.182 -6.116 3.812 227 H SER 29 H SER 29 0.062 -5.495 3.309 228 HA SER 29 HA SER 29 0.831 -7.579 2.931 229 HB2 SER 29 HB2 SER 29 0.670 -7.043 -0.053 230 HB3 SER 29 HB3 SER 29 1.160 -8.580 0.671 231 HG SER 29 HG SER 29 -1.173 -7.652 1.734 232 H GLU 30 H GLU 30 2.421 -4.752 1.610 233 HA GLU 30 HA GLU 30 5.004 -6.045 1.485 234 HB2 GLU 30 HB2 GLU 30 4.076 -3.203 1.186 235 HB3 GLU 30 HB3 GLU 30 5.782 -3.497 1.487 236 HG2 GLU 30 HG2 GLU 30 4.200 -4.702 -0.792 237 HG3 GLU 30 HG3 GLU 30 5.228 -3.290 -0.910 238 H GLY 31 H GLY 31 4.444 -3.155 3.525 239 HA2 GLY 31 HA2 GLY 31 5.040 -2.764 5.735 240 HA3 GLY 31 HA3 GLY 31 5.383 -4.468 5.940 241 H TYR 32 H TYR 32 6.996 -3.596 3.244 242 HA TYR 32 HA TYR 32 8.973 -2.903 2.554 243 HB2 TYR 32 HB2 TYR 32 8.431 -0.889 4.085 244 HB3 TYR 32 HB3 TYR 32 9.561 -1.602 5.226 245 HD1 TYR 32 HD1 TYR 32 10.006 -1.620 1.518 246 HD2 TYR 32 HD2 TYR 32 11.192 0.199 5.205 247 HE1 TYR 32 HE1 TYR 32 11.808 -0.427 0.353 248 HE2 TYR 32 HE2 TYR 32 12.987 1.393 4.025 249 HH TYR 32 HH TYR 32 13.150 1.567 0.619 250 H LYS 33 H LYS 33 9.606 -3.716 6.032 251 HA LYS 33 HA LYS 33 11.017 -6.148 5.242 252 HB2 LYS 33 HB2 LYS 33 12.790 -4.402 5.071 253 HB3 LYS 33 HB3 LYS 33 12.499 -3.933 6.740 254 HG2 LYS 33 HG2 LYS 33 14.500 -5.320 6.581 255 HG3 LYS 33 HG3 LYS 33 13.255 -6.161 7.510 256 HD2 LYS 33 HD2 LYS 33 12.676 -7.476 5.463 257 HD3 LYS 33 HD3 LYS 33 13.980 -6.663 4.594 258 HE2 LYS 33 HE2 LYS 33 15.638 -7.670 6.082 259 HE3 LYS 33 HE3 LYS 33 14.364 -8.394 7.067 260 HZ1 LYS 33 HZ1 LYS 33 15.309 -10.001 5.552 261 HZ2 LYS 33 HZ2 LYS 33 14.934 -9.030 4.218 262 HZ3 LYS 33 HZ3 LYS 33 13.691 -9.706 5.145 263 H ALA 34 H ALA 34 10.470 -3.938 7.988 264 HA ALA 34 HA ALA 34 9.520 -6.129 9.713 265 HB1 ALA 34 HB1 ALA 34 11.010 -5.435 11.549 266 HB2 ALA 34 HB2 ALA 34 11.747 -4.210 10.514 267 HB3 ALA 34 HB3 ALA 34 11.964 -5.919 10.144 268 H LYS 35 H LYS 35 8.974 -4.750 12.080 269 HA LYS 35 HA LYS 35 6.828 -3.083 11.443 270 HB2 LYS 35 HB2 LYS 35 6.855 -4.348 13.498 271 HB3 LYS 35 HB3 LYS 35 8.385 -3.638 13.994 272 HG2 LYS 35 HG2 LYS 35 7.242 -1.434 14.248 273 HG3 LYS 35 HG3 LYS 35 5.705 -2.213 13.849 274 HD2 LYS 35 HD2 LYS 35 5.769 -3.549 15.834 275 HD3 LYS 35 HD3 LYS 35 7.460 -3.145 16.137 276 HE2 LYS 35 HE2 LYS 35 5.961 -1.955 17.689 277 HE3 LYS 35 HE3 LYS 35 6.846 -0.837 16.655 278 HZ1 LYS 35 HZ1 LYS 35 4.886 -0.602 15.283 279 HZ2 LYS 35 HZ2 LYS 35 4.528 -0.227 16.889 280 HZ3 LYS 35 HZ3 LYS 35 4.057 -1.712 16.240 281 H ALA 36 H ALA 36 10.084 -2.354 12.713 282 HA ALA 36 HA ALA 36 10.008 0.387 12.891 283 HB1 ALA 36 HB1 ALA 36 11.926 -0.974 13.635 284 HB2 ALA 36 HB2 ALA 36 12.466 0.341 12.592 285 HB3 ALA 36 HB3 ALA 36 12.361 -1.301 11.955 286 H SER 37 H SER 37 10.780 -1.573 10.025 287 HA SER 37 HA SER 37 11.245 0.581 8.214 288 HB2 SER 37 HB2 SER 37 10.532 -2.293 7.526 289 HB3 SER 37 HB3 SER 37 11.398 -1.139 6.514 290 HG SER 37 HG SER 37 13.051 -1.154 8.144 291 H ALA 38 H ALA 38 8.407 -1.171 9.260 292 HA ALA 38 HA ALA 38 6.661 -0.655 7.100 293 HB1 ALA 38 HB1 ALA 38 5.963 -1.205 10.018 294 HB2 ALA 38 HB2 ALA 38 6.192 -2.421 8.759 295 HB3 ALA 38 HB3 ALA 38 4.843 -1.290 8.651 296 H ILE 39 H ILE 39 6.853 0.930 10.351 297 HA ILE 39 HA ILE 39 5.232 3.110 9.873 298 HB ILE 39 HB ILE 39 7.635 2.843 11.726 299 HG12 ILE 39 HG12 ILE 39 5.786 3.014 13.514 300 HG13 ILE 39 HG13 ILE 39 4.619 2.891 12.204 301 HG21 ILE 39 HG21 ILE 39 6.981 4.967 12.846 302 HG22 ILE 39 HG22 ILE 39 5.806 5.266 11.563 303 HG23 ILE 39 HG23 ILE 39 7.530 5.229 11.190 304 HD11 ILE 39 HD11 ILE 39 6.641 0.807 13.000 305 HD12 ILE 39 HD12 ILE 39 5.487 0.665 11.670 306 HD13 ILE 39 HD13 ILE 39 4.909 0.787 13.330 307 H HIS 40 H HIS 40 8.768 2.873 9.288 308 HA HIS 40 HA HIS 40 9.229 5.501 8.447 309 HB2 HIS 40 HB2 HIS 40 10.676 2.904 7.908 310 HB3 HIS 40 HB3 HIS 40 11.162 4.349 7.028 311 HD1 HIS 40 HD1 HIS 40 12.918 5.687 8.142 312 HD2 HIS 40 HD2 HIS 40 10.735 3.462 10.883 313 HE1 HIS 40 HE1 HIS 40 14.043 6.049 10.358 314 HE2 HIS 40 HE2 HIS 40 12.704 4.690 12.001 315 H ALA 41 H ALA 41 8.318 2.670 6.480 316 HA ALA 41 HA ALA 41 8.129 3.882 3.997 317 HB1 ALA 41 HB1 ALA 41 7.991 1.444 4.363 318 HB2 ALA 41 HB2 ALA 41 6.625 2.022 3.413 319 HB3 ALA 41 HB3 ALA 41 6.409 1.639 5.122 320 H ILE 42 H ILE 42 5.534 3.440 6.440 321 HA ILE 42 HA ILE 42 3.485 4.850 5.172 322 HB ILE 42 HB ILE 42 4.012 4.567 8.158 323 HG12 ILE 42 HG12 ILE 42 2.138 2.899 6.421 324 HG13 ILE 42 HG13 ILE 42 3.807 2.431 6.731 325 HG21 ILE 42 HG21 ILE 42 1.432 5.319 6.720 326 HG22 ILE 42 HG22 ILE 42 2.385 6.362 7.779 327 HG23 ILE 42 HG23 ILE 42 1.564 4.950 8.442 328 HD11 ILE 42 HD11 ILE 42 3.351 2.283 9.095 329 HD12 ILE 42 HD12 ILE 42 2.242 1.276 8.163 330 HD13 ILE 42 HD13 ILE 42 1.686 2.812 8.825 331 H GLU 43 H GLU 43 6.252 6.066 6.950 332 HA GLU 43 HA GLU 43 5.273 8.661 7.507 333 HB2 GLU 43 HB2 GLU 43 8.116 7.618 7.327 334 HB3 GLU 43 HB3 GLU 43 7.749 9.291 7.736 335 HG2 GLU 43 HG2 GLU 43 6.440 8.499 9.698 336 HG3 GLU 43 HG3 GLU 43 6.897 6.843 9.314 337 H SER 44 H SER 44 6.959 7.265 4.680 338 HA SER 44 HA SER 44 7.304 9.534 3.100 339 HB2 SER 44 HB2 SER 44 6.516 6.698 2.396 340 HB3 SER 44 HB3 SER 44 6.618 7.915 1.127 341 HG SER 44 HG SER 44 8.698 7.670 1.190 342 H ILE 45 H ILE 45 4.335 7.749 3.802 343 HA ILE 45 HA ILE 45 2.783 8.982 1.765 344 HB ILE 45 HB ILE 45 1.409 7.770 4.208 345 HG12 ILE 45 HG12 ILE 45 3.310 6.172 3.491 346 HG13 ILE 45 HG13 ILE 45 1.687 5.496 3.441 347 HG21 ILE 45 HG21 ILE 45 -0.177 7.016 2.444 348 HG22 ILE 45 HG22 ILE 45 0.862 7.770 1.213 349 HG23 ILE 45 HG23 ILE 45 0.059 8.767 2.438 350 HD11 ILE 45 HD11 ILE 45 3.261 6.497 1.081 351 HD12 ILE 45 HD12 ILE 45 1.643 5.790 1.024 352 HD13 ILE 45 HD13 ILE 45 3.013 4.814 1.540 353 H LYS 46 H LYS 46 3.108 9.415 5.286 354 HA LYS 46 HA LYS 46 1.215 11.384 5.702 355 HB2 LYS 46 HB2 LYS 46 3.768 11.234 7.346 356 HB3 LYS 46 HB3 LYS 46 2.151 11.682 7.874 357 HG2 LYS 46 HG2 LYS 46 3.269 8.925 7.330 358 HG3 LYS 46 HG3 LYS 46 2.556 9.551 8.819 359 HD2 LYS 46 HD2 LYS 46 1.042 8.992 6.230 360 HD3 LYS 46 HD3 LYS 46 1.075 7.931 7.636 361 HE2 LYS 46 HE2 LYS 46 0.089 10.784 7.816 362 HE3 LYS 46 HE3 LYS 46 -0.947 9.453 7.347 363 HZ1 LYS 46 HZ1 LYS 46 0.585 9.615 9.877 364 HZ2 LYS 46 HZ2 LYS 46 -0.459 8.364 9.439 365 HZ3 LYS 46 HZ3 LYS 46 -1.071 9.912 9.720 366 H ARG 47 H ARG 47 4.340 11.689 4.329 367 HA ARG 47 HA ARG 47 4.942 14.398 4.971 368 HB2 ARG 47 HB2 ARG 47 5.918 12.822 2.551 369 HB3 ARG 47 HB3 ARG 47 6.594 14.348 3.109 370 HG2 ARG 47 HG2 ARG 47 6.663 11.719 4.602 371 HG3 ARG 47 HG3 ARG 47 7.998 12.432 3.709 372 HD2 ARG 47 HD2 ARG 47 8.160 14.254 5.289 373 HD3 ARG 47 HD3 ARG 47 6.682 13.744 6.114 374 HE ARG 47 HE ARG 47 9.188 12.143 6.072 375 HH11 ARG 47 HH11 ARG 47 6.375 13.328 7.809 376 HH12 ARG 47 HH12 ARG 47 6.737 12.446 9.259 377 HH21 ARG 47 HH21 ARG 47 9.649 10.970 7.989 378 HH22 ARG 47 HH22 ARG 47 8.591 11.100 9.356 379 H ASN 48 H ASN 48 3.525 12.991 1.990 380 HA ASN 48 HA ASN 48 2.187 15.392 1.153 381 HB2 ASN 48 HB2 ASN 48 4.579 16.138 0.871 382 HB3 ASN 48 HB3 ASN 48 4.821 14.851 -0.295 383 HD21 ASN 48 HD21 ASN 48 5.311 16.140 -2.030 384 HD22 ASN 48 HD22 ASN 48 4.187 17.218 -2.780 385 H SER 49 H SER 49 1.992 12.289 1.124 386 HA SER 49 HA SER 49 2.156 11.442 -1.609 387 HB2 SER 49 HB2 SER 49 2.375 9.928 0.355 388 HB3 SER 49 HB3 SER 49 0.646 10.096 0.645 389 HG SER 49 HG SER 49 1.759 8.337 -0.854 390 H ALA 50 H ALA 50 -0.575 12.547 0.403 391 HA ALA 50 HA ALA 50 -2.638 12.167 -1.446 392 HB1 ALA 50 HB1 ALA 50 -3.014 12.756 0.911 393 HB2 ALA 50 HB2 ALA 50 -3.874 13.860 -0.166 394 HB3 ALA 50 HB3 ALA 50 -2.378 14.376 0.617 395 H GLY 51 H GLY 51 -0.184 14.675 -1.261 396 HA2 GLY 51 HA2 GLY 51 -1.273 16.158 -3.564 397 HA3 GLY 51 HA3 GLY 51 0.039 16.663 -2.513 398 H ALA 52 H ALA 52 0.761 13.534 -3.151 399 HA ALA 52 HA ALA 52 2.870 14.003 -4.966 400 HB1 ALA 52 HB1 ALA 52 2.871 12.122 -3.366 401 HB2 ALA 52 HB2 ALA 52 3.108 11.537 -5.014 402 HB3 ALA 52 HB3 ALA 52 1.528 11.365 -4.231 403 H ASP 53 H ASP 53 3.140 12.816 -7.076 404 HA ASP 53 HA ASP 53 0.819 13.209 -8.825 405 HB2 ASP 53 HB2 ASP 53 3.031 14.092 -9.519 406 HB3 ASP 53 HB3 ASP 53 3.714 12.478 -9.457 407 H THR 54 H THR 54 0.043 11.532 -10.234 408 HA THR 54 HA THR 54 0.778 8.744 -9.518 409 HB THR 54 HB THR 54 -1.993 9.779 -10.281 410 HG1 THR 54 HG1 THR 54 -0.768 9.130 -7.801 411 HG21 THR 54 HG21 THR 54 -1.681 7.430 -10.992 412 HG22 THR 54 HG22 THR 54 -2.788 7.510 -9.613 413 HG23 THR 54 HG23 THR 54 -1.112 7.005 -9.373 414 H VAL 55 H VAL 55 1.664 7.735 -11.151 415 HA VAL 55 HA VAL 55 1.208 8.571 -13.961 416 HB VAL 55 HB VAL 55 3.233 9.735 -13.219 417 HG11 VAL 55 HG11 VAL 55 4.400 7.025 -12.490 418 HG12 VAL 55 HG12 VAL 55 3.919 8.291 -11.359 419 HG13 VAL 55 HG13 VAL 55 5.269 8.563 -12.461 420 HG21 VAL 55 HG21 VAL 55 3.951 7.444 -15.098 421 HG22 VAL 55 HG22 VAL 55 4.856 8.950 -14.926 422 HG23 VAL 55 HG23 VAL 55 3.212 8.979 -15.563 423 H ASP 56 H ASP 56 1.113 6.952 -15.415 424 HA ASP 56 HA ASP 56 1.490 4.157 -14.540 425 HB2 ASP 56 HB2 ASP 56 0.058 5.278 -16.990 426 HB3 ASP 56 HB3 ASP 56 0.204 3.565 -16.613 427 H LEU 57 H LEU 57 3.469 3.455 -14.958 428 HA LEU 57 HA LEU 57 5.104 4.188 -17.190 429 HB2 LEU 57 HB2 LEU 57 5.341 2.040 -15.049 430 HB3 LEU 57 HB3 LEU 57 6.545 2.244 -16.306 431 HG LEU 57 HG LEU 57 7.259 3.264 -14.167 432 HD11 LEU 57 HD11 LEU 57 8.129 4.193 -16.242 433 HD12 LEU 57 HD12 LEU 57 7.944 5.445 -15.014 434 HD13 LEU 57 HD13 LEU 57 6.767 5.318 -16.326 435 HD21 LEU 57 HD21 LEU 57 4.945 5.200 -14.487 436 HD22 LEU 57 HD22 LEU 57 6.200 5.251 -13.245 437 HD23 LEU 57 HD23 LEU 57 5.053 3.915 -13.281 438 H THR 58 H THR 58 2.502 2.024 -16.806 439 HA THR 58 HA THR 58 3.465 -0.024 -18.675 440 HB THR 58 HB THR 58 2.473 -0.880 -16.653 441 HG1 THR 58 HG1 THR 58 0.497 -1.261 -18.653 442 HG21 THR 58 HG21 THR 58 0.156 -0.468 -15.973 443 HG22 THR 58 HG22 THR 58 -0.053 0.671 -17.307 444 HG23 THR 58 HG23 THR 58 1.077 1.039 -15.999 445 H THR 59 H THR 59 2.321 2.926 -19.170 446 HA THR 59 HA THR 59 0.284 2.457 -21.187 447 HB THR 59 HB THR 59 0.861 4.900 -21.802 448 HG1 THR 59 HG1 THR 59 2.333 5.961 -20.608 449 HG21 THR 59 HG21 THR 59 -0.204 5.876 -19.791 450 HG22 THR 59 HG22 THR 59 0.061 4.365 -18.917 451 HG23 THR 59 HG23 THR 59 -1.035 4.407 -20.302 452 H MET 60 H MET 60 3.728 3.469 -21.187 453 HA MET 60 HA MET 60 4.250 1.948 -23.659 454 HB2 MET 60 HB2 MET 60 5.372 4.148 -23.465 455 HB3 MET 60 HB3 MET 60 6.052 3.702 -21.910 456 HG2 MET 60 HG2 MET 60 7.412 1.952 -23.023 457 HG3 MET 60 HG3 MET 60 6.753 2.458 -24.581 458 HE1 MET 60 HE1 MET 60 9.960 2.328 -23.787 459 HE2 MET 60 HE2 MET 60 10.506 3.789 -24.609 460 HE3 MET 60 HE3 MET 60 9.352 2.720 -25.400 461 H THR 61 H THR 61 3.857 -0.162 -22.902 462 HA THR 61 HA THR 61 4.418 -1.185 -20.374 463 HB THR 61 HB THR 61 4.250 -3.489 -21.500 464 HG1 THR 61 HG1 THR 61 5.022 -2.615 -23.590 465 HG21 THR 61 HG21 THR 61 2.247 -2.393 -20.575 466 HG22 THR 61 HG22 THR 61 1.854 -3.263 -22.059 467 HG23 THR 61 HG23 THR 61 2.019 -1.506 -22.086 468 H ALA 62 H ALA 62 6.281 -1.511 -19.386 469 HA ALA 62 HA ALA 62 8.559 -2.812 -20.625 470 HB1 ALA 62 HB1 ALA 62 10.175 -1.020 -20.078 471 HB2 ALA 62 HB2 ALA 62 8.858 0.016 -19.522 472 HB3 ALA 62 HB3 ALA 62 8.967 -0.434 -21.225 473 H MET 1 H MET 1 8.596 15.466 -8.869 474 HA MET 1 HA MET 1 9.005 15.396 -5.944 475 HB2 MET 1 HB2 MET 1 7.194 16.983 -6.690 476 HB3 MET 1 HB3 MET 1 6.392 15.648 -7.501 477 HG2 MET 1 HG2 MET 1 6.135 14.520 -5.292 478 HG3 MET 1 HG3 MET 1 6.847 15.935 -4.518 479 HE1 MET 1 HE1 MET 1 5.524 18.274 -6.431 480 HE2 MET 1 HE2 MET 1 5.709 18.409 -4.680 481 HE3 MET 1 HE3 MET 1 4.138 18.702 -5.424 482 H TYR 2 H TYR 2 8.333 13.446 -4.951 483 HA TYR 2 HA TYR 2 8.476 11.068 -6.490 484 HB2 TYR 2 HB2 TYR 2 7.691 9.940 -4.296 485 HB3 TYR 2 HB3 TYR 2 9.243 10.755 -4.325 486 HD1 TYR 2 HD1 TYR 2 5.705 11.987 -3.665 487 HD2 TYR 2 HD2 TYR 2 9.717 11.623 -2.230 488 HE1 TYR 2 HE1 TYR 2 5.102 13.218 -1.626 489 HE2 TYR 2 HE2 TYR 2 9.111 12.852 -0.211 490 HH TYR 2 HH TYR 2 5.891 13.462 0.660 491 H LYS 3 H LYS 3 6.713 9.301 -6.252 492 HA LYS 3 HA LYS 3 4.070 10.162 -6.782 493 HB2 LYS 3 HB2 LYS 3 4.233 9.576 -9.354 494 HB3 LYS 3 HB3 LYS 3 4.650 11.174 -8.785 495 HG2 LYS 3 HG2 LYS 3 6.202 10.473 -10.495 496 HG3 LYS 3 HG3 LYS 3 7.044 10.651 -8.957 497 HD2 LYS 3 HD2 LYS 3 7.216 8.264 -8.681 498 HD3 LYS 3 HD3 LYS 3 6.086 7.968 -10.007 499 HE2 LYS 3 HE2 LYS 3 8.398 7.522 -10.703 500 HE3 LYS 3 HE3 LYS 3 7.701 8.857 -11.618 501 HZ1 LYS 3 HZ1 LYS 3 9.933 9.360 -10.990 502 HZ2 LYS 3 HZ2 LYS 3 9.604 9.072 -9.360 503 HZ3 LYS 3 HZ3 LYS 3 8.893 10.387 -10.143 504 H PHE 4 H PHE 4 2.920 8.450 -8.218 505 HA PHE 4 HA PHE 4 3.490 5.810 -7.047 506 HB2 PHE 4 HB2 PHE 4 0.927 7.020 -8.170 507 HB3 PHE 4 HB3 PHE 4 1.074 5.326 -7.713 508 HD1 PHE 4 HD1 PHE 4 0.881 8.807 -6.420 509 HD2 PHE 4 HD2 PHE 4 1.190 4.660 -5.379 510 HE1 PHE 4 HE1 PHE 4 0.338 9.340 -4.083 511 HE2 PHE 4 HE2 PHE 4 0.636 5.209 -3.053 512 HZ PHE 4 HZ PHE 4 0.215 7.543 -2.404 513 H GLU 5 H GLU 5 4.535 4.513 -8.356 514 HA GLU 5 HA GLU 5 4.458 4.885 -11.274 515 HB2 GLU 5 HB2 GLU 5 6.398 3.356 -9.489 516 HB3 GLU 5 HB3 GLU 5 6.387 3.177 -11.244 517 HG2 GLU 5 HG2 GLU 5 6.680 5.716 -11.368 518 HG3 GLU 5 HG3 GLU 5 7.005 5.658 -9.631 519 H ILE 6 H ILE 6 2.885 3.799 -12.252 520 HA ILE 6 HA ILE 6 1.825 1.305 -11.073 521 HB ILE 6 HB ILE 6 0.564 3.037 -13.251 522 HG12 ILE 6 HG12 ILE 6 -0.298 3.113 -10.332 523 HG13 ILE 6 HG13 ILE 6 0.949 4.199 -10.934 524 HG21 ILE 6 HG21 ILE 6 -1.509 1.801 -12.700 525 HG22 ILE 6 HG22 ILE 6 -0.658 0.898 -11.447 526 HG23 ILE 6 HG23 ILE 6 -0.218 0.671 -13.145 527 HD11 ILE 6 HD11 ILE 6 -1.208 5.267 -10.887 528 HD12 ILE 6 HD12 ILE 6 -1.876 4.028 -11.940 529 HD13 ILE 6 HD13 ILE 6 -0.632 5.125 -12.545 530 H TYR 7 H TYR 7 2.504 -0.469 -12.078 531 HA TYR 7 HA TYR 7 2.827 -0.513 -14.981 532 HB2 TYR 7 HB2 TYR 7 5.002 -1.756 -14.768 533 HB3 TYR 7 HB3 TYR 7 5.095 -0.078 -14.268 534 HD1 TYR 7 HD1 TYR 7 5.145 0.470 -11.774 535 HD2 TYR 7 HD2 TYR 7 5.619 -3.529 -13.242 536 HE1 TYR 7 HE1 TYR 7 6.175 -0.186 -9.646 537 HE2 TYR 7 HE2 TYR 7 6.650 -4.172 -11.097 538 HH TYR 7 HH TYR 7 7.932 -2.955 -9.229 539 H GLN 8 H GLN 8 3.354 -2.922 -15.562 540 HA GLN 8 HA GLN 8 1.909 -4.765 -13.739 541 HB2 GLN 8 HB2 GLN 8 0.838 -5.926 -15.450 542 HB3 GLN 8 HB3 GLN 8 0.733 -4.260 -15.993 543 HG2 GLN 8 HG2 GLN 8 2.840 -4.814 -17.399 544 HG3 GLN 8 HG3 GLN 8 2.449 -6.492 -17.069 545 HE21 GLN 8 HE21 GLN 8 0.410 -7.318 -17.820 546 HE22 GLN 8 HE22 GLN 8 -0.405 -6.590 -19.157 547 H ASP 9 H ASP 9 2.711 -6.838 -13.579 548 HA ASP 9 HA ASP 9 5.600 -7.057 -13.793 549 HB2 ASP 9 HB2 ASP 9 4.410 -7.526 -11.652 550 HB3 ASP 9 HB3 ASP 9 3.506 -8.814 -12.428 551 H LYS 10 H LYS 10 6.495 -9.172 -14.462 552 HA LYS 10 HA LYS 10 6.041 -10.049 -16.993 553 HB2 LYS 10 HB2 LYS 10 7.389 -12.042 -16.415 554 HB3 LYS 10 HB3 LYS 10 8.066 -10.581 -15.705 555 HG2 LYS 10 HG2 LYS 10 7.076 -11.197 -13.521 556 HG3 LYS 10 HG3 LYS 10 6.417 -12.668 -14.232 557 HD2 LYS 10 HD2 LYS 10 8.427 -13.226 -13.005 558 HD3 LYS 10 HD3 LYS 10 8.744 -13.431 -14.728 559 HE2 LYS 10 HE2 LYS 10 9.932 -11.269 -14.774 560 HE3 LYS 10 HE3 LYS 10 9.567 -11.022 -13.067 561 HZ1 LYS 10 HZ1 LYS 10 10.901 -12.947 -12.525 562 HZ2 LYS 10 HZ2 LYS 10 11.817 -11.843 -13.422 563 HZ3 LYS 10 HZ3 LYS 10 11.210 -13.236 -14.162 564 H ALA 11 H ALA 11 4.463 -11.203 -14.089 565 HA ALA 11 HA ALA 11 3.042 -13.407 -15.317 566 HB1 ALA 11 HB1 ALA 11 1.960 -13.643 -13.119 567 HB2 ALA 11 HB2 ALA 11 2.644 -12.096 -12.605 568 HB3 ALA 11 HB3 ALA 11 3.707 -13.458 -12.951 569 H GLY 12 H GLY 12 2.663 -10.366 -16.053 570 HA2 GLY 12 HA2 GLY 12 1.083 -8.963 -16.877 571 HA3 GLY 12 HA3 GLY 12 0.000 -10.334 -16.939 572 H GLU 13 H GLU 13 1.559 -8.962 -14.065 573 HA GLU 13 HA GLU 13 -1.156 -8.624 -12.864 574 HB2 GLU 13 HB2 GLU 13 1.493 -9.231 -11.492 575 HB3 GLU 13 HB3 GLU 13 -0.018 -8.901 -10.642 576 HG2 GLU 13 HG2 GLU 13 -1.014 -10.902 -11.802 577 HG3 GLU 13 HG3 GLU 13 0.593 -11.260 -12.442 578 H TYR 14 H TYR 14 -1.649 -6.481 -13.090 579 HA TYR 14 HA TYR 14 0.114 -4.367 -12.887 580 HB2 TYR 14 HB2 TYR 14 -2.884 -4.445 -12.473 581 HB3 TYR 14 HB3 TYR 14 -1.967 -2.939 -12.422 582 HD1 TYR 14 HD1 TYR 14 -0.769 -2.126 -14.463 583 HD2 TYR 14 HD2 TYR 14 -3.331 -5.544 -14.616 584 HE1 TYR 14 HE1 TYR 14 -0.820 -1.986 -16.916 585 HE2 TYR 14 HE2 TYR 14 -3.378 -5.399 -17.067 586 HH TYR 14 HH TYR 14 -1.211 -3.543 -18.842 587 H ARG 15 H ARG 15 1.056 -3.395 -11.410 588 HA ARG 15 HA ARG 15 0.192 -3.262 -8.648 589 HB2 ARG 15 HB2 ARG 15 2.360 -3.806 -7.654 590 HB3 ARG 15 HB3 ARG 15 1.631 -5.185 -8.440 591 HG2 ARG 15 HG2 ARG 15 3.650 -3.666 -10.034 592 HG3 ARG 15 HG3 ARG 15 4.250 -4.543 -8.624 593 HD2 ARG 15 HD2 ARG 15 2.835 -5.648 -11.049 594 HD3 ARG 15 HD3 ARG 15 4.444 -6.051 -10.444 595 HE ARG 15 HE ARG 15 1.867 -6.877 -9.230 596 HH11 ARG 15 HH11 ARG 15 5.338 -7.387 -9.506 597 HH12 ARG 15 HH12 ARG 15 5.299 -8.883 -8.630 598 HH21 ARG 15 HH21 ARG 15 1.845 -8.817 -8.058 599 HH22 ARG 15 HH22 ARG 15 3.323 -9.686 -7.790 600 H PHE 16 H PHE 16 0.663 -1.378 -7.687 601 HA PHE 16 HA PHE 16 2.511 0.437 -9.089 602 HB2 PHE 16 HB2 PHE 16 1.362 2.325 -8.053 603 HB3 PHE 16 HB3 PHE 16 0.257 1.367 -9.014 604 HD1 PHE 16 HD1 PHE 16 -1.583 0.120 -7.938 605 HD2 PHE 16 HD2 PHE 16 1.068 2.545 -5.620 606 HE1 PHE 16 HE1 PHE 16 -3.216 0.164 -6.105 607 HE2 PHE 16 HE2 PHE 16 -0.576 2.574 -3.788 608 HZ PHE 16 HZ PHE 16 -2.722 1.392 -4.025 609 H ARG 17 H ARG 17 3.671 1.865 -7.732 610 HA ARG 17 HA ARG 17 4.207 1.021 -4.961 611 HB2 ARG 17 HB2 ARG 17 6.648 1.317 -5.369 612 HB3 ARG 17 HB3 ARG 17 5.966 -0.013 -6.290 613 HG2 ARG 17 HG2 ARG 17 5.968 1.378 -8.322 614 HG3 ARG 17 HG3 ARG 17 6.642 2.726 -7.402 615 HD2 ARG 17 HD2 ARG 17 8.655 1.410 -6.919 616 HD3 ARG 17 HD3 ARG 17 7.977 0.026 -7.784 617 HE ARG 17 HE ARG 17 7.957 1.895 -9.697 618 HH11 ARG 17 HH11 ARG 17 10.541 1.129 -7.427 619 HH12 ARG 17 HH12 ARG 17 11.798 1.395 -8.592 620 HH21 ARG 17 HH21 ARG 17 9.615 2.280 -11.192 621 HH22 ARG 17 HH22 ARG 17 11.276 2.062 -10.725 622 H PHE 18 H PHE 18 5.311 2.742 -3.712 623 HA PHE 18 HA PHE 18 4.897 5.460 -4.837 624 HB2 PHE 18 HB2 PHE 18 3.270 5.037 -2.984 625 HB3 PHE 18 HB3 PHE 18 4.611 4.676 -1.905 626 HD1 PHE 18 HD1 PHE 18 4.196 7.452 -4.410 627 HD2 PHE 18 HD2 PHE 18 4.569 6.384 -0.290 628 HE1 PHE 18 HE1 PHE 18 4.286 9.829 -3.796 629 HE2 PHE 18 HE2 PHE 18 4.629 8.758 0.328 630 HZ PHE 18 HZ PHE 18 4.524 10.484 -1.434 631 H LYS 19 H LYS 19 6.559 6.764 -4.738 632 HA LYS 19 HA LYS 19 9.169 5.585 -4.056 633 HB2 LYS 19 HB2 LYS 19 8.380 7.847 -5.968 634 HB3 LYS 19 HB3 LYS 19 10.008 7.189 -5.766 635 HG2 LYS 19 HG2 LYS 19 7.588 5.639 -6.780 636 HG3 LYS 19 HG3 LYS 19 8.892 6.289 -7.787 637 HD2 LYS 19 HD2 LYS 19 9.275 4.222 -5.570 638 HD3 LYS 19 HD3 LYS 19 9.142 3.820 -7.280 639 HE2 LYS 19 HE2 LYS 19 11.283 5.649 -6.143 640 HE3 LYS 19 HE3 LYS 19 11.495 3.926 -6.378 641 HZ1 LYS 19 HZ1 LYS 19 10.929 5.919 -8.493 642 HZ2 LYS 19 HZ2 LYS 19 11.060 4.256 -8.750 643 HZ3 LYS 19 HZ3 LYS 19 12.404 5.137 -8.221 644 H ALA 20 H ALA 20 10.831 7.439 -3.853 645 HA ALA 20 HA ALA 20 10.029 9.607 -2.035 646 HB1 ALA 20 HB1 ALA 20 12.477 7.829 -1.704 647 HB2 ALA 20 HB2 ALA 20 11.054 7.831 -0.662 648 HB3 ALA 20 HB3 ALA 20 12.099 9.251 -0.729 649 H SER 21 H SER 21 11.588 11.435 -2.146 650 HA SER 21 HA SER 21 11.816 12.468 -4.565 651 HB2 SER 21 HB2 SER 21 13.382 14.163 -3.589 652 HB3 SER 21 HB3 SER 21 11.990 13.797 -2.573 653 HG SER 21 HG SER 21 14.066 13.870 -1.477 654 H ASN 22 H ASN 22 14.489 10.562 -3.153 655 HA ASN 22 HA ASN 22 16.281 11.236 -5.406 656 HB2 ASN 22 HB2 ASN 22 16.967 9.491 -3.002 657 HB3 ASN 22 HB3 ASN 22 18.080 10.308 -4.092 658 HD21 ASN 22 HD21 ASN 22 15.852 10.704 -1.433 659 HD22 ASN 22 HD22 ASN 22 16.401 12.267 -0.927 660 H GLY 23 H GLY 23 13.832 9.315 -5.392 661 HA2 GLY 23 HA2 GLY 23 13.280 7.659 -6.889 662 HA3 GLY 23 HA3 GLY 23 14.977 7.420 -7.248 663 H GLU 24 H GLU 24 14.086 7.295 -3.912 664 HA GLU 24 HA GLU 24 14.586 4.414 -3.762 665 HB2 GLU 24 HB2 GLU 24 13.693 6.201 -1.464 666 HB3 GLU 24 HB3 GLU 24 14.520 4.655 -1.365 667 HG2 GLU 24 HG2 GLU 24 16.388 5.867 -1.033 668 HG3 GLU 24 HG3 GLU 24 16.358 6.169 -2.769 669 H THR 25 H THR 25 13.006 2.878 -2.862 670 HA THR 25 HA THR 25 10.170 3.748 -3.120 671 HB THR 25 HB THR 25 11.145 0.894 -3.496 672 HG1 THR 25 HG1 THR 25 12.022 2.191 -5.142 673 HG21 THR 25 HG21 THR 25 8.538 2.215 -4.284 674 HG22 THR 25 HG22 THR 25 8.749 1.093 -2.938 675 HG23 THR 25 HG23 THR 25 8.976 0.536 -4.599 676 H MET 26 H MET 26 8.689 2.870 -1.654 677 HA MET 26 HA MET 26 9.798 1.863 0.902 678 HB2 MET 26 HB2 MET 26 8.078 3.426 2.035 679 HB3 MET 26 HB3 MET 26 9.553 4.131 1.390 680 HG2 MET 26 HG2 MET 26 7.689 5.560 0.887 681 HG3 MET 26 HG3 MET 26 8.296 4.870 -0.620 682 HE1 MET 26 HE1 MET 26 6.024 3.101 2.087 683 HE2 MET 26 HE2 MET 26 4.434 3.581 1.501 684 HE3 MET 26 HE3 MET 26 5.557 4.801 2.095 685 H PHE 27 H PHE 27 6.868 2.005 -1.175 686 HA PHE 27 HA PHE 27 6.375 -0.751 -0.312 687 HB2 PHE 27 HB2 PHE 27 4.173 -0.579 0.376 688 HB3 PHE 27 HB3 PHE 27 4.774 0.960 0.951 689 HD1 PHE 27 HD1 PHE 27 2.574 -0.706 -1.544 690 HD2 PHE 27 HD2 PHE 27 3.946 3.039 -0.043 691 HE1 PHE 27 HE1 PHE 27 0.743 0.477 -2.706 692 HE2 PHE 27 HE2 PHE 27 2.155 4.207 -1.167 693 HZ PHE 27 HZ PHE 27 0.522 2.930 -2.518 694 H SER 28 H SER 28 4.968 -1.872 -1.716 695 HA SER 28 HA SER 28 4.557 -1.091 -4.478 696 HB2 SER 28 HB2 SER 28 6.759 -3.134 -3.872 697 HB3 SER 28 HB3 SER 28 6.211 -2.661 -5.475 698 HG SER 28 HG SER 28 6.917 -0.450 -4.332 699 H SER 29 H SER 29 3.821 -3.109 -5.848 700 HA SER 29 HA SER 29 4.010 -5.346 -6.208 701 HB2 SER 29 HB2 SER 29 5.457 -5.786 -4.307 702 HB3 SER 29 HB3 SER 29 4.090 -5.724 -3.197 703 HG SER 29 HG SER 29 5.025 -7.842 -4.299 704 H GLU 30 H GLU 30 1.529 -3.923 -4.223 705 HA GLU 30 HA GLU 30 -0.337 -6.104 -4.634 706 HB2 GLU 30 HB2 GLU 30 -1.948 -3.968 -3.848 707 HB3 GLU 30 HB3 GLU 30 -1.223 -5.159 -2.788 708 HG2 GLU 30 HG2 GLU 30 -0.825 -2.946 -1.895 709 HG3 GLU 30 HG3 GLU 30 0.706 -3.659 -2.399 710 H GLY 31 H GLY 31 -1.104 -2.726 -5.588 711 HA2 GLY 31 HA2 GLY 31 -1.963 -1.880 -7.555 712 HA3 GLY 31 HA3 GLY 31 -1.619 -3.406 -8.352 713 H TYR 32 H TYR 32 -3.259 -4.140 -5.615 714 HA TYR 32 HA TYR 32 -5.291 -4.586 -4.885 715 HB2 TYR 32 HB2 TYR 32 -5.699 -2.138 -5.619 716 HB3 TYR 32 HB3 TYR 32 -6.526 -2.813 -7.015 717 HD1 TYR 32 HD1 TYR 32 -6.735 -4.329 -3.618 718 HD2 TYR 32 HD2 TYR 32 -8.692 -1.814 -6.471 719 HE1 TYR 32 HE1 TYR 32 -8.786 -4.399 -2.272 720 HE2 TYR 32 HE2 TYR 32 -10.749 -1.896 -5.122 721 HH TYR 32 HH TYR 32 -10.813 -3.088 -1.928 722 H LYS 33 H LYS 33 -5.781 -4.412 -8.472 723 HA LYS 33 HA LYS 33 -6.097 -7.310 -8.626 724 HB2 LYS 33 HB2 LYS 33 -8.376 -6.668 -8.009 725 HB3 LYS 33 HB3 LYS 33 -8.417 -5.424 -9.246 726 HG2 LYS 33 HG2 LYS 33 -9.754 -7.375 -9.886 727 HG3 LYS 33 HG3 LYS 33 -8.417 -7.123 -11.010 728 HD2 LYS 33 HD2 LYS 33 -7.143 -8.933 -9.854 729 HD3 LYS 33 HD3 LYS 33 -8.519 -9.195 -8.778 730 HE2 LYS 33 HE2 LYS 33 -9.910 -9.887 -10.663 731 HE3 LYS 33 HE3 LYS 33 -8.629 -9.481 -11.806 732 HZ1 LYS 33 HZ1 LYS 33 -7.264 -11.226 -10.808 733 HZ2 LYS 33 HZ2 LYS 33 -8.714 -11.836 -11.431 734 HZ3 LYS 33 HZ3 LYS 33 -8.531 -11.631 -9.762 735 H ALA 34 H ALA 34 -6.645 -4.287 -10.445 736 HA ALA 34 HA ALA 34 -5.034 -5.232 -12.724 737 HB1 ALA 34 HB1 ALA 34 -7.902 -4.229 -12.993 738 HB2 ALA 34 HB2 ALA 34 -7.364 -5.889 -13.256 739 HB3 ALA 34 HB3 ALA 34 -6.809 -4.603 -14.330 740 H LYS 35 H LYS 35 -5.236 -3.068 -14.466 741 HA LYS 35 HA LYS 35 -3.874 -0.985 -13.193 742 HB2 LYS 35 HB2 LYS 35 -3.325 -0.873 -15.409 743 HB3 LYS 35 HB3 LYS 35 -4.738 -1.777 -15.885 744 HG2 LYS 35 HG2 LYS 35 -4.921 0.178 -17.116 745 HG3 LYS 35 HG3 LYS 35 -6.003 0.478 -15.757 746 HD2 LYS 35 HD2 LYS 35 -4.176 1.802 -14.662 747 HD3 LYS 35 HD3 LYS 35 -3.175 1.552 -16.098 748 HE2 LYS 35 HE2 LYS 35 -4.865 2.739 -17.469 749 HE3 LYS 35 HE3 LYS 35 -5.862 2.979 -16.036 750 HZ1 LYS 35 HZ1 LYS 35 -3.248 4.184 -16.672 751 HZ2 LYS 35 HZ2 LYS 35 -3.852 4.181 -15.104 752 HZ3 LYS 35 HZ3 LYS 35 -4.708 4.967 -16.335 753 H ALA 36 H ALA 36 -7.228 -1.226 -14.359 754 HA ALA 36 HA ALA 36 -8.259 1.223 -13.620 755 HB1 ALA 36 HB1 ALA 36 -9.528 -0.462 -14.894 756 HB2 ALA 36 HB2 ALA 36 -10.464 0.101 -13.508 757 HB3 ALA 36 HB3 ALA 36 -9.660 -1.469 -13.452 758 H SER 37 H SER 37 -7.931 -1.680 -11.618 759 HA SER 37 HA SER 37 -9.127 -0.610 -9.247 760 HB2 SER 37 HB2 SER 37 -7.307 -3.033 -9.445 761 HB3 SER 37 HB3 SER 37 -8.560 -2.723 -8.242 762 HG SER 37 HG SER 37 -9.883 -2.617 -10.406 763 H ALA 38 H ALA 38 -5.906 -0.685 -10.601 764 HA ALA 38 HA ALA 38 -4.366 -0.264 -8.270 765 HB1 ALA 38 HB1 ALA 38 -3.358 -1.064 -10.378 766 HB2 ALA 38 HB2 ALA 38 -2.543 0.389 -9.798 767 HB3 ALA 38 HB3 ALA 38 -3.688 0.494 -11.139 768 H ILE 39 H ILE 39 -5.375 2.080 -10.834 769 HA ILE 39 HA ILE 39 -4.710 4.443 -9.568 770 HB ILE 39 HB ILE 39 -6.872 3.799 -11.603 771 HG12 ILE 39 HG12 ILE 39 -5.452 5.261 -13.097 772 HG13 ILE 39 HG13 ILE 39 -4.310 5.455 -11.773 773 HG21 ILE 39 HG21 ILE 39 -7.341 6.218 -11.923 774 HG22 ILE 39 HG22 ILE 39 -6.384 6.579 -10.483 775 HG23 ILE 39 HG23 ILE 39 -7.866 5.629 -10.345 776 HD11 ILE 39 HD11 ILE 39 -3.592 3.830 -13.440 777 HD12 ILE 39 HD12 ILE 39 -5.016 2.844 -13.094 778 HD13 ILE 39 HD13 ILE 39 -3.790 3.100 -11.848 779 H HIS 40 H HIS 40 -7.821 2.657 -9.324 780 HA HIS 40 HA HIS 40 -9.221 4.477 -7.719 781 HB2 HIS 40 HB2 HIS 40 -9.483 1.476 -8.048 782 HB3 HIS 40 HB3 HIS 40 -10.509 2.337 -6.906 783 HD1 HIS 40 HD1 HIS 40 -11.546 4.685 -8.321 784 HD2 HIS 40 HD2 HIS 40 -10.900 1.113 -10.339 785 HE1 HIS 40 HE1 HIS 40 -13.076 4.752 -10.311 786 HE2 HIS 40 HE2 HIS 40 -12.592 2.619 -11.576 787 H ALA 41 H ALA 41 -7.127 1.762 -6.731 788 HA ALA 41 HA ALA 41 -7.263 2.062 -3.978 789 HB1 ALA 41 HB1 ALA 41 -5.104 0.863 -3.933 790 HB2 ALA 41 HB2 ALA 41 -4.899 1.154 -5.663 791 HB3 ALA 41 HB3 ALA 41 -6.216 0.130 -5.089 792 H ILE 42 H ILE 42 -4.869 3.487 -6.247 793 HA ILE 42 HA ILE 42 -3.445 5.087 -4.456 794 HB ILE 42 HB ILE 42 -4.049 5.645 -7.387 795 HG12 ILE 42 HG12 ILE 42 -1.563 4.339 -6.217 796 HG13 ILE 42 HG13 ILE 42 -2.946 3.407 -6.777 797 HG21 ILE 42 HG21 ILE 42 -1.957 7.002 -7.369 798 HG22 ILE 42 HG22 ILE 42 -1.844 6.785 -5.621 799 HG23 ILE 42 HG23 ILE 42 -3.200 7.676 -6.316 800 HD11 ILE 42 HD11 ILE 42 -2.647 4.265 -9.007 801 HD12 ILE 42 HD12 ILE 42 -1.175 3.500 -8.410 802 HD13 ILE 42 HD13 ILE 42 -1.292 5.259 -8.465 803 H GLU 43 H GLU 43 -6.586 5.639 -5.925 804 HA GLU 43 HA GLU 43 -6.757 8.435 -5.543 805 HB2 GLU 43 HB2 GLU 43 -8.931 6.347 -5.866 806 HB3 GLU 43 HB3 GLU 43 -9.301 8.058 -5.660 807 HG2 GLU 43 HG2 GLU 43 -8.030 8.566 -7.718 808 HG3 GLU 43 HG3 GLU 43 -7.687 6.851 -7.932 809 H SER 44 H SER 44 -7.542 5.650 -3.438 810 HA SER 44 HA SER 44 -8.643 6.944 -1.225 811 HB2 SER 44 HB2 SER 44 -6.668 4.644 -1.389 812 HB3 SER 44 HB3 SER 44 -7.324 5.172 0.158 813 HG SER 44 HG SER 44 -8.642 4.040 -2.080 814 H ILE 45 H ILE 45 -5.271 6.804 -2.272 815 HA ILE 45 HA ILE 45 -4.179 7.803 0.161 816 HB ILE 45 HB ILE 45 -2.612 8.089 -2.446 817 HG12 ILE 45 HG12 ILE 45 -3.706 5.738 -2.410 818 HG13 ILE 45 HG13 ILE 45 -1.948 5.775 -2.504 819 HG21 ILE 45 HG21 ILE 45 -1.919 7.312 0.417 820 HG22 ILE 45 HG22 ILE 45 -1.645 8.891 -0.346 821 HG23 ILE 45 HG23 ILE 45 -0.746 7.478 -0.908 822 HD11 ILE 45 HD11 ILE 45 -3.583 5.239 -0.033 823 HD12 ILE 45 HD12 ILE 45 -1.820 5.248 -0.127 824 HD13 ILE 45 HD13 ILE 45 -2.743 4.047 -1.018 825 H LYS 46 H LYS 46 -4.905 9.196 -3.037 826 HA LYS 46 HA LYS 46 -3.935 11.755 -2.640 827 HB2 LYS 46 HB2 LYS 46 -6.298 11.181 -4.452 828 HB3 LYS 46 HB3 LYS 46 -5.017 12.364 -4.670 829 HG2 LYS 46 HG2 LYS 46 -4.953 9.383 -5.159 830 HG3 LYS 46 HG3 LYS 46 -4.591 10.693 -6.280 831 HD2 LYS 46 HD2 LYS 46 -2.855 9.914 -3.893 832 HD3 LYS 46 HD3 LYS 46 -2.579 9.381 -5.549 833 HE2 LYS 46 HE2 LYS 46 -2.537 12.265 -4.628 834 HE3 LYS 46 HE3 LYS 46 -1.128 11.257 -4.870 835 HZ1 LYS 46 HZ1 LYS 46 -3.089 12.006 -6.958 836 HZ2 LYS 46 HZ2 LYS 46 -1.731 11.034 -7.195 837 HZ3 LYS 46 HZ3 LYS 46 -1.542 12.657 -6.777 838 H ARG 47 H ARG 47 -6.844 10.358 -1.457 839 HA ARG 47 HA ARG 47 -8.464 12.694 -1.250 840 HB2 ARG 47 HB2 ARG 47 -8.674 10.186 0.470 841 HB3 ARG 47 HB3 ARG 47 -9.900 11.434 0.300 842 HG2 ARG 47 HG2 ARG 47 -9.058 9.341 -1.689 843 HG3 ARG 47 HG3 ARG 47 -10.654 9.643 -1.008 844 HD2 ARG 47 HD2 ARG 47 -9.190 11.432 -2.968 845 HD3 ARG 47 HD3 ARG 47 -10.501 10.328 -3.373 846 HE ARG 47 HE ARG 47 -11.498 12.043 -1.428 847 HH11 ARG 47 HH11 ARG 47 -10.253 12.354 -4.709 848 HH12 ARG 47 HH12 ARG 47 -11.212 13.760 -5.060 849 HH21 ARG 47 HH21 ARG 47 -12.744 13.888 -1.926 850 HH22 ARG 47 HH22 ARG 47 -12.612 14.619 -3.495 851 H ASN 48 H ASN 48 -6.487 11.012 1.223 852 HA ASN 48 HA ASN 48 -6.084 13.355 2.852 853 HB2 ASN 48 HB2 ASN 48 -8.575 12.914 3.192 854 HB3 ASN 48 HB3 ASN 48 -8.149 11.392 3.963 855 HD21 ASN 48 HD21 ASN 48 -8.817 11.783 6.009 856 HD22 ASN 48 HD22 ASN 48 -8.256 13.064 7.016 857 H SER 49 H SER 49 -4.708 10.747 1.898 858 HA SER 49 HA SER 49 -4.339 9.062 4.180 859 HB2 SER 49 HB2 SER 49 -4.083 8.300 1.838 860 HB3 SER 49 HB3 SER 49 -2.599 9.234 1.713 861 HG SER 49 HG SER 49 -3.094 6.840 2.981 862 H ALA 50 H ALA 50 -2.396 11.742 2.835 863 HA ALA 50 HA ALA 50 -0.224 11.607 4.590 864 HB1 ALA 50 HB1 ALA 50 -0.269 13.038 2.590 865 HB2 ALA 50 HB2 ALA 50 0.164 13.971 4.027 866 HB3 ALA 50 HB3 ALA 50 -1.467 14.086 3.355 867 H GLY 51 H GLY 51 -3.467 12.880 5.070 868 HA2 GLY 51 HA2 GLY 51 -2.882 13.821 7.807 869 HA3 GLY 51 HA3 GLY 51 -4.354 14.100 6.890 870 H ALA 52 H ALA 52 -3.771 10.913 6.409 871 HA ALA 52 HA ALA 52 -5.757 9.905 8.141 872 HB1 ALA 52 HB1 ALA 52 -5.138 8.808 6.015 873 HB2 ALA 52 HB2 ALA 52 -5.040 7.674 7.364 874 HB3 ALA 52 HB3 ALA 52 -3.561 8.375 6.684 875 H ASP 53 H ASP 53 -5.390 8.088 9.730 876 HA ASP 53 HA ASP 53 -3.283 8.755 11.662 877 HB2 ASP 53 HB2 ASP 53 -5.538 8.456 12.545 878 HB3 ASP 53 HB3 ASP 53 -5.689 6.888 11.771 879 H THR 54 H THR 54 -1.834 7.152 12.484 880 HA THR 54 HA THR 54 -1.488 4.698 10.857 881 HB THR 54 HB THR 54 0.735 6.409 12.072 882 HG1 THR 54 HG1 THR 54 -0.239 6.099 9.407 883 HG21 THR 54 HG21 THR 54 0.882 3.958 10.268 884 HG22 THR 54 HG22 THR 54 1.392 4.027 11.956 885 HG23 THR 54 HG23 THR 54 2.262 4.962 10.730 886 H VAL 55 H VAL 55 -1.799 2.956 12.006 887 HA VAL 55 HA VAL 55 -1.494 2.927 14.956 888 HB VAL 55 HB VAL 55 -3.862 3.358 14.556 889 HG11 VAL 55 HG11 VAL 55 -5.331 1.834 13.280 890 HG12 VAL 55 HG12 VAL 55 -3.930 0.870 12.808 891 HG13 VAL 55 HG13 VAL 55 -4.079 2.537 12.250 892 HG21 VAL 55 HG21 VAL 55 -3.477 0.452 15.394 893 HG22 VAL 55 HG22 VAL 55 -4.897 1.442 15.737 894 HG23 VAL 55 HG23 VAL 55 -3.338 1.861 16.450 895 H ASP 56 H ASP 56 -0.699 1.088 15.804 896 HA ASP 56 HA ASP 56 -0.040 -1.156 14.019 897 HB2 ASP 56 HB2 ASP 56 1.804 -0.003 15.309 898 HB3 ASP 56 HB3 ASP 56 1.080 -0.600 16.799 899 H LEU 57 H LEU 57 -1.470 -2.713 14.081 900 HA LEU 57 HA LEU 57 -3.102 -3.413 16.323 901 HB2 LEU 57 HB2 LEU 57 -2.724 -4.641 13.570 902 HB3 LEU 57 HB3 LEU 57 -3.800 -5.337 14.766 903 HG LEU 57 HG LEU 57 -5.115 -4.033 13.207 904 HD11 LEU 57 HD11 LEU 57 -5.867 -4.007 15.529 905 HD12 LEU 57 HD12 LEU 57 -6.269 -2.498 14.709 906 HD13 LEU 57 HD13 LEU 57 -4.910 -2.552 15.839 907 HD21 LEU 57 HD21 LEU 57 -3.396 -1.633 13.903 908 HD22 LEU 57 HD22 LEU 57 -4.836 -1.622 12.880 909 HD23 LEU 57 HD23 LEU 57 -3.402 -2.508 12.368 910 H THR 58 H THR 58 0.151 -4.420 15.368 911 HA THR 58 HA THR 58 -0.260 -7.145 16.453 912 HB THR 58 HB THR 58 0.934 -6.973 14.272 913 HG1 THR 58 HG1 THR 58 2.596 -7.990 16.359 914 HG21 THR 58 HG21 THR 58 2.196 -4.877 14.623 915 HG22 THR 58 HG22 THR 58 3.256 -6.206 14.147 916 HG23 THR 58 HG23 THR 58 3.195 -5.683 15.832 917 H THR 59 H THR 59 0.001 -4.448 17.970 918 HA THR 59 HA THR 59 1.739 -5.498 20.118 919 HB THR 59 HB THR 59 2.032 -3.078 20.865 920 HG1 THR 59 HG1 THR 59 1.220 -2.399 18.228 921 HG21 THR 59 HG21 THR 59 3.808 -2.502 19.241 922 HG22 THR 59 HG22 THR 59 3.201 -3.727 18.129 923 HG23 THR 59 HG23 THR 59 3.887 -4.211 19.682 924 H MET 60 H MET 60 -1.211 -5.680 19.295 925 HA MET 60 HA MET 60 -2.328 -5.336 21.978 926 HB2 MET 60 HB2 MET 60 -2.834 -3.154 20.870 927 HB3 MET 60 HB3 MET 60 -3.607 -4.005 19.538 928 HG2 MET 60 HG2 MET 60 -5.290 -4.902 21.182 929 HG3 MET 60 HG3 MET 60 -4.551 -3.880 22.414 930 HE1 MET 60 HE1 MET 60 -6.671 -2.205 18.643 931 HE2 MET 60 HE2 MET 60 -6.480 -3.930 18.964 932 HE3 MET 60 HE3 MET 60 -5.070 -2.941 18.580 933 H THR 61 H THR 61 -3.445 -5.929 18.623 934 HA THR 61 HA THR 61 -4.666 -8.491 19.385 935 HB THR 61 HB THR 61 -5.581 -8.446 17.026 936 HG1 THR 61 HG1 THR 61 -3.737 -6.777 16.506 937 HG21 THR 61 HG21 THR 61 -6.183 -5.943 18.643 938 HG22 THR 61 HG22 THR 61 -6.957 -7.515 18.857 939 HG23 THR 61 HG23 THR 61 -7.200 -6.607 17.363 940 H ALA 62 H ALA 62 -3.448 -10.276 19.189 941 HA ALA 62 HA ALA 62 -1.626 -10.611 16.898 942 HB1 ALA 62 HB1 ALA 62 -0.775 -11.141 19.773 943 HB2 ALA 62 HB2 ALA 62 -0.198 -9.812 18.766 944 HB3 ALA 62 HB3 ALA 62 0.178 -11.481 18.328 Start of MODEL 11 1 H MET 1 H MET 1 -12.348 7.488 11.449 2 HA MET 1 HA MET 1 -12.273 8.280 9.232 3 HB2 MET 1 HB2 MET 1 -11.241 10.506 9.843 4 HB3 MET 1 HB3 MET 1 -9.688 9.709 10.032 5 HG2 MET 1 HG2 MET 1 -9.700 9.119 7.641 6 HG3 MET 1 HG3 MET 1 -11.271 9.892 7.452 7 HE1 MET 1 HE1 MET 1 -10.309 13.678 8.140 8 HE2 MET 1 HE2 MET 1 -10.761 12.536 9.405 9 HE3 MET 1 HE3 MET 1 -11.640 12.552 7.874 10 H TYR 2 H TYR 2 -10.860 7.285 7.558 11 HA TYR 2 HA TYR 2 -9.762 4.804 8.263 12 HB2 TYR 2 HB2 TYR 2 -8.841 4.828 5.873 13 HB3 TYR 2 HB3 TYR 2 -10.579 4.964 6.069 14 HD1 TYR 2 HD1 TYR 2 -7.517 7.077 5.483 15 HD2 TYR 2 HD2 TYR 2 -11.742 6.724 4.994 16 HE1 TYR 2 HE1 TYR 2 -7.520 9.069 4.049 17 HE2 TYR 2 HE2 TYR 2 -11.744 8.713 3.561 18 HH TYR 2 HH TYR 2 -8.898 10.045 2.285 19 H LYS 3 H LYS 3 -7.464 4.150 7.490 20 HA LYS 3 HA LYS 3 -5.340 5.780 8.397 21 HB2 LYS 3 HB2 LYS 3 -5.075 4.389 10.650 22 HB3 LYS 3 HB3 LYS 3 -6.093 5.812 10.606 23 HG2 LYS 3 HG2 LYS 3 -7.151 4.041 11.891 24 HG3 LYS 3 HG3 LYS 3 -8.106 4.413 10.454 25 HD2 LYS 3 HD2 LYS 3 -7.140 2.407 9.324 26 HD3 LYS 3 HD3 LYS 3 -6.242 2.035 10.803 27 HE2 LYS 3 HE2 LYS 3 -9.267 2.133 10.527 28 HE3 LYS 3 HE3 LYS 3 -8.281 0.677 10.644 29 HZ1 LYS 3 HZ1 LYS 3 -9.212 1.149 12.751 30 HZ2 LYS 3 HZ2 LYS 3 -8.658 2.738 12.728 31 HZ3 LYS 3 HZ3 LYS 3 -7.556 1.462 12.850 32 H PHE 4 H PHE 4 -3.520 4.233 9.300 33 HA PHE 4 HA PHE 4 -3.140 2.109 7.293 34 HB2 PHE 4 HB2 PHE 4 -1.112 3.722 8.914 35 HB3 PHE 4 HB3 PHE 4 -0.697 2.433 7.783 36 HD1 PHE 4 HD1 PHE 4 -1.920 5.909 8.088 37 HD2 PHE 4 HD2 PHE 4 -0.865 2.784 5.359 38 HE1 PHE 4 HE1 PHE 4 -1.882 7.530 6.239 39 HE2 PHE 4 HE2 PHE 4 -0.832 4.413 3.520 40 HZ PHE 4 HZ PHE 4 -1.344 6.781 3.955 41 H GLU 5 H GLU 5 -3.541 0.178 8.080 42 HA GLU 5 HA GLU 5 -3.281 -0.395 10.963 43 HB2 GLU 5 HB2 GLU 5 -4.853 -1.746 8.764 44 HB3 GLU 5 HB3 GLU 5 -4.523 -2.582 10.274 45 HG2 GLU 5 HG2 GLU 5 -5.619 -0.672 11.481 46 HG3 GLU 5 HG3 GLU 5 -6.064 -0.004 9.908 47 H ILE 6 H ILE 6 -1.385 -1.222 11.563 48 HA ILE 6 HA ILE 6 0.396 -2.477 9.590 49 HB ILE 6 HB ILE 6 1.107 -1.523 12.403 50 HG12 ILE 6 HG12 ILE 6 1.539 0.065 9.832 51 HG13 ILE 6 HG13 ILE 6 0.197 0.350 10.933 52 HG21 ILE 6 HG21 ILE 6 2.700 -3.134 11.405 53 HG22 ILE 6 HG22 ILE 6 3.440 -1.539 11.549 54 HG23 ILE 6 HG23 ILE 6 2.868 -2.107 9.977 55 HD11 ILE 6 HD11 ILE 6 3.117 0.601 11.619 56 HD12 ILE 6 HD12 ILE 6 1.766 0.913 12.713 57 HD13 ILE 6 HD13 ILE 6 2.001 1.921 11.289 58 H TYR 7 H TYR 7 0.697 -4.600 9.738 59 HA TYR 7 HA TYR 7 0.535 -5.952 12.330 60 HB2 TYR 7 HB2 TYR 7 -0.833 -7.790 11.359 61 HB3 TYR 7 HB3 TYR 7 -1.707 -6.266 11.423 62 HD1 TYR 7 HD1 TYR 7 -2.131 -4.973 9.295 63 HD2 TYR 7 HD2 TYR 7 -0.379 -8.873 9.197 64 HE1 TYR 7 HE1 TYR 7 -2.635 -5.140 6.895 65 HE2 TYR 7 HE2 TYR 7 -0.881 -9.040 6.797 66 HH TYR 7 HH TYR 7 -1.698 -6.435 4.895 67 H GLN 8 H GLN 8 1.254 -8.318 11.968 68 HA GLN 8 HA GLN 8 3.144 -8.564 9.704 69 HB2 GLN 8 HB2 GLN 8 4.621 -9.935 10.906 70 HB3 GLN 8 HB3 GLN 8 4.209 -8.686 12.074 71 HG2 GLN 8 HG2 GLN 8 2.510 -10.352 13.018 72 HG3 GLN 8 HG3 GLN 8 3.272 -11.559 11.996 73 HE21 GLN 8 HE21 GLN 8 5.988 -10.624 12.297 74 HE22 GLN 8 HE22 GLN 8 6.473 -10.960 13.918 75 H ASP 9 H ASP 9 2.924 -10.402 8.508 76 HA ASP 9 HA ASP 9 0.288 -11.649 8.578 77 HB2 ASP 9 HB2 ASP 9 1.631 -10.515 6.521 78 HB3 ASP 9 HB3 ASP 9 2.285 -12.132 6.351 79 H LYS 10 H LYS 10 0.310 -14.028 7.864 80 HA LYS 10 HA LYS 10 1.113 -15.729 9.780 81 HB2 LYS 10 HB2 LYS 10 -0.532 -16.239 8.020 82 HB3 LYS 10 HB3 LYS 10 0.739 -16.349 6.820 83 HG2 LYS 10 HG2 LYS 10 0.759 -18.242 9.175 84 HG3 LYS 10 HG3 LYS 10 -0.358 -18.527 7.837 85 HD2 LYS 10 HD2 LYS 10 1.520 -18.641 6.258 86 HD3 LYS 10 HD3 LYS 10 2.665 -18.266 7.544 87 HE2 LYS 10 HE2 LYS 10 2.059 -20.392 8.677 88 HE3 LYS 10 HE3 LYS 10 0.945 -20.760 7.357 89 HZ1 LYS 10 HZ1 LYS 10 2.844 -20.749 5.831 90 HZ2 LYS 10 HZ2 LYS 10 3.024 -21.908 7.049 91 HZ3 LYS 10 HZ3 LYS 10 3.897 -20.461 7.125 92 H ALA 11 H ALA 11 3.080 -14.794 7.031 93 HA ALA 11 HA ALA 11 5.216 -16.711 7.440 94 HB1 ALA 11 HB1 ALA 11 6.339 -15.493 5.608 95 HB2 ALA 11 HB2 ALA 11 5.101 -14.237 5.681 96 HB3 ALA 11 HB3 ALA 11 4.666 -15.877 5.194 97 H GLY 12 H GLY 12 4.457 -14.484 9.548 98 HA2 GLY 12 HA2 GLY 12 5.436 -13.065 11.043 99 HA3 GLY 12 HA3 GLY 12 6.940 -13.895 10.699 100 H GLU 13 H GLU 13 5.075 -12.164 8.259 101 HA GLU 13 HA GLU 13 7.489 -10.466 7.799 102 HB2 GLU 13 HB2 GLU 13 6.832 -12.119 5.983 103 HB3 GLU 13 HB3 GLU 13 5.338 -11.216 5.763 104 HG2 GLU 13 HG2 GLU 13 7.038 -10.626 4.081 105 HG3 GLU 13 HG3 GLU 13 6.565 -9.241 5.062 106 H TYR 14 H TYR 14 7.170 -8.165 7.492 107 HA TYR 14 HA TYR 14 4.792 -7.380 9.044 108 HB2 TYR 14 HB2 TYR 14 7.487 -6.039 8.702 109 HB3 TYR 14 HB3 TYR 14 6.099 -5.166 9.350 110 HD1 TYR 14 HD1 TYR 14 8.268 -8.171 9.934 111 HD2 TYR 14 HD2 TYR 14 5.434 -5.457 11.633 112 HE1 TYR 14 HE1 TYR 14 8.648 -9.151 12.154 113 HE2 TYR 14 HE2 TYR 14 5.833 -6.434 13.849 114 HH TYR 14 HH TYR 14 6.633 -8.462 14.840 115 H ARG 15 H ARG 15 3.232 -6.552 8.121 116 HA ARG 15 HA ARG 15 3.322 -5.205 5.510 117 HB2 ARG 15 HB2 ARG 15 1.571 -7.593 6.255 118 HB3 ARG 15 HB3 ARG 15 1.366 -6.631 4.794 119 HG2 ARG 15 HG2 ARG 15 3.494 -7.368 3.921 120 HG3 ARG 15 HG3 ARG 15 3.892 -8.190 5.437 121 HD2 ARG 15 HD2 ARG 15 2.125 -9.769 5.110 122 HD3 ARG 15 HD3 ARG 15 1.497 -8.875 3.737 123 HE ARG 15 HE ARG 15 4.155 -9.668 3.208 124 HH11 ARG 15 HH11 ARG 15 0.959 -11.100 3.556 125 HH12 ARG 15 HH12 ARG 15 1.280 -12.381 2.429 126 HH21 ARG 15 HH21 ARG 15 4.566 -11.394 1.757 127 HH22 ARG 15 HH22 ARG 15 3.317 -12.556 1.433 128 H PHE 16 H PHE 16 1.868 -3.546 5.404 129 HA PHE 16 HA PHE 16 -0.317 -3.425 7.386 130 HB2 PHE 16 HB2 PHE 16 -0.076 -0.911 7.308 131 HB3 PHE 16 HB3 PHE 16 1.241 -1.760 8.096 132 HD1 PHE 16 HD1 PHE 16 3.484 -1.822 7.097 133 HD2 PHE 16 HD2 PHE 16 0.294 0.314 5.210 134 HE1 PHE 16 HE1 PHE 16 5.112 -0.626 5.699 135 HE2 PHE 16 HE2 PHE 16 1.930 1.503 3.825 136 HZ PHE 16 HZ PHE 16 4.337 1.042 4.062 137 H ARG 17 H ARG 17 -2.031 -1.921 6.707 138 HA ARG 17 HA ARG 17 -2.615 -2.006 3.799 139 HB2 ARG 17 HB2 ARG 17 -4.988 -2.507 4.380 140 HB3 ARG 17 HB3 ARG 17 -3.900 -3.773 4.929 141 HG2 ARG 17 HG2 ARG 17 -3.975 -2.435 7.203 142 HG3 ARG 17 HG3 ARG 17 -5.471 -1.787 6.538 143 HD2 ARG 17 HD2 ARG 17 -4.865 -4.739 6.929 144 HD3 ARG 17 HD3 ARG 17 -5.801 -3.741 8.043 145 HE ARG 17 HE ARG 17 -6.850 -3.787 5.348 146 HH11 ARG 17 HH11 ARG 17 -6.882 -5.409 8.472 147 HH12 ARG 17 HH12 ARG 17 -8.397 -6.200 8.181 148 HH21 ARG 17 HH21 ARG 17 -8.839 -4.858 4.991 149 HH22 ARG 17 HH22 ARG 17 -9.499 -5.889 6.217 150 H PHE 18 H PHE 18 -4.046 -0.324 3.069 151 HA PHE 18 HA PHE 18 -4.559 1.885 4.983 152 HB2 PHE 18 HB2 PHE 18 -3.001 2.583 3.142 153 HB3 PHE 18 HB3 PHE 18 -4.231 2.149 1.962 154 HD1 PHE 18 HD1 PHE 18 -4.562 4.002 5.216 155 HD2 PHE 18 HD2 PHE 18 -4.829 4.193 0.955 156 HE1 PHE 18 HE1 PHE 18 -5.428 6.290 5.361 157 HE2 PHE 18 HE2 PHE 18 -5.682 6.494 1.109 158 HZ PHE 18 HZ PHE 18 -5.994 7.537 3.316 159 H LYS 19 H LYS 19 -6.582 2.393 5.245 160 HA LYS 19 HA LYS 19 -8.654 0.679 4.017 161 HB2 LYS 19 HB2 LYS 19 -8.680 2.375 6.569 162 HB3 LYS 19 HB3 LYS 19 -9.955 1.268 6.041 163 HG2 LYS 19 HG2 LYS 19 -7.105 0.448 6.737 164 HG3 LYS 19 HG3 LYS 19 -8.506 0.275 7.807 165 HD2 LYS 19 HD2 LYS 19 -8.333 -1.017 5.040 166 HD3 LYS 19 HD3 LYS 19 -7.833 -1.841 6.516 167 HE2 LYS 19 HE2 LYS 19 -10.615 -0.686 6.181 168 HE3 LYS 19 HE3 LYS 19 -10.202 -2.317 5.678 169 HZ1 LYS 19 HZ1 LYS 19 -11.138 -2.272 7.908 170 HZ2 LYS 19 HZ2 LYS 19 -9.906 -1.231 8.425 171 HZ3 LYS 19 HZ3 LYS 19 -9.535 -2.806 7.952 172 H ALA 20 H ALA 20 -10.864 1.917 4.249 173 HA ALA 20 HA ALA 20 -10.795 4.729 3.415 174 HB1 ALA 20 HB1 ALA 20 -12.433 4.329 1.607 175 HB2 ALA 20 HB2 ALA 20 -12.338 2.592 1.899 176 HB3 ALA 20 HB3 ALA 20 -10.927 3.461 1.301 177 H SER 21 H SER 21 -13.019 5.702 3.655 178 HA SER 21 HA SER 21 -13.995 5.483 6.191 179 HB2 SER 21 HB2 SER 21 -15.705 6.411 3.854 180 HB3 SER 21 HB3 SER 21 -15.732 7.003 5.521 181 HG SER 21 HG SER 21 -13.430 7.583 5.048 182 H ASN 22 H ASN 22 -15.078 3.613 3.429 183 HA ASN 22 HA ASN 22 -17.545 2.643 4.555 184 HB2 ASN 22 HB2 ASN 22 -17.071 2.919 2.095 185 HB3 ASN 22 HB3 ASN 22 -15.919 1.594 2.197 186 HD21 ASN 22 HD21 ASN 22 -16.988 0.334 0.731 187 HD22 ASN 22 HD22 ASN 22 -18.523 -0.402 1.036 188 H GLY 23 H GLY 23 -14.358 1.882 5.254 189 HA2 GLY 23 HA2 GLY 23 -13.336 0.243 6.478 190 HA3 GLY 23 HA3 GLY 23 -14.879 -0.572 6.640 191 H GLU 24 H GLU 24 -12.986 0.370 3.831 192 HA GLU 24 HA GLU 24 -12.759 -2.449 2.957 193 HB2 GLU 24 HB2 GLU 24 -12.999 -1.607 0.601 194 HB3 GLU 24 HB3 GLU 24 -14.463 -1.423 1.561 195 HG2 GLU 24 HG2 GLU 24 -14.116 0.948 1.818 196 HG3 GLU 24 HG3 GLU 24 -12.489 0.841 1.147 197 H THR 25 H THR 25 -10.789 -3.011 2.101 198 HA THR 25 HA THR 25 -8.556 -1.108 2.405 199 HB THR 25 HB THR 25 -8.543 -4.128 2.000 200 HG1 THR 25 HG1 THR 25 -9.403 -3.219 4.012 201 HG21 THR 25 HG21 THR 25 -6.266 -2.267 2.754 202 HG22 THR 25 HG22 THR 25 -6.421 -3.136 1.226 203 HG23 THR 25 HG23 THR 25 -6.179 -4.031 2.725 204 H MET 26 H MET 26 -7.497 -0.383 0.774 205 HA MET 26 HA MET 26 -8.226 -1.164 -2.002 206 HB2 MET 26 HB2 MET 26 -7.386 1.290 -2.485 207 HB3 MET 26 HB3 MET 26 -9.004 1.012 -1.862 208 HG2 MET 26 HG2 MET 26 -7.914 2.899 -0.762 209 HG3 MET 26 HG3 MET 26 -8.284 1.617 0.387 210 HE1 MET 26 HE1 MET 26 -5.564 3.430 -1.669 211 HE2 MET 26 HE2 MET 26 -5.377 1.761 -2.219 212 HE3 MET 26 HE3 MET 26 -4.112 2.518 -1.255 213 H PHE 27 H PHE 27 -5.481 -0.772 0.186 214 HA PHE 27 HA PHE 27 -4.310 -2.825 -1.398 215 HB2 PHE 27 HB2 PHE 27 -2.180 -1.885 -2.003 216 HB3 PHE 27 HB3 PHE 27 -3.449 -0.907 -2.700 217 HD1 PHE 27 HD1 PHE 27 -3.466 0.327 0.524 218 HD2 PHE 27 HD2 PHE 27 -0.880 0.134 -2.881 219 HE1 PHE 27 HE1 PHE 27 -2.349 2.397 1.225 220 HE2 PHE 27 HE2 PHE 27 0.210 2.201 -2.151 221 HZ PHE 27 HZ PHE 27 -0.531 3.333 -0.097 222 H SER 28 H SER 28 -2.147 -3.481 -0.567 223 HA SER 28 HA SER 28 -1.491 -3.289 2.196 224 HB2 SER 28 HB2 SER 28 -2.614 -5.394 3.052 225 HB3 SER 28 HB3 SER 28 -3.765 -4.121 2.636 226 HG SER 28 HG SER 28 -4.145 -6.382 1.843 227 H SER 29 H SER 29 -0.213 -5.263 3.011 228 HA SER 29 HA SER 29 1.120 -7.026 2.842 229 HB2 SER 29 HB2 SER 29 -0.468 -7.739 0.348 230 HB3 SER 29 HB3 SER 29 0.485 -8.854 1.335 231 HG SER 29 HG SER 29 -2.020 -7.779 1.783 232 H GLU 30 H GLU 30 1.744 -4.524 1.326 233 HA GLU 30 HA GLU 30 3.468 -4.940 -0.764 234 HB2 GLU 30 HB2 GLU 30 4.761 -2.914 0.491 235 HB3 GLU 30 HB3 GLU 30 3.270 -2.686 -0.397 236 HG2 GLU 30 HG2 GLU 30 3.334 -1.487 1.765 237 HG3 GLU 30 HG3 GLU 30 1.973 -2.594 1.626 238 H GLY 31 H GLY 31 4.104 -5.479 2.752 239 HA2 GLY 31 HA2 GLY 31 5.510 -6.935 3.741 240 HA3 GLY 31 HA3 GLY 31 5.810 -7.644 2.163 241 H TYR 32 H TYR 32 6.620 -4.599 3.970 242 HA TYR 32 HA TYR 32 8.717 -4.041 2.074 243 HB2 TYR 32 HB2 TYR 32 7.343 -2.233 3.148 244 HB3 TYR 32 HB3 TYR 32 8.104 -2.598 4.695 245 HD1 TYR 32 HD1 TYR 32 9.446 -2.195 1.194 246 HD2 TYR 32 HD2 TYR 32 9.569 -0.816 5.238 247 HE1 TYR 32 HE1 TYR 32 11.224 -0.612 0.599 248 HE2 TYR 32 HE2 TYR 32 11.349 0.765 4.635 249 HH TYR 32 HH TYR 32 12.115 1.551 1.445 250 H LYS 33 H LYS 33 8.887 -4.358 5.689 251 HA LYS 33 HA LYS 33 10.281 -6.782 5.535 252 HB2 LYS 33 HB2 LYS 33 12.174 -5.051 4.950 253 HB3 LYS 33 HB3 LYS 33 12.160 -4.680 6.671 254 HG2 LYS 33 HG2 LYS 33 13.878 -6.323 6.298 255 HG3 LYS 33 HG3 LYS 33 12.548 -7.126 7.145 256 HD2 LYS 33 HD2 LYS 33 11.750 -7.746 4.675 257 HD3 LYS 33 HD3 LYS 33 13.431 -7.411 4.260 258 HE2 LYS 33 HE2 LYS 33 13.248 -9.766 4.619 259 HE3 LYS 33 HE3 LYS 33 14.088 -9.112 6.026 260 HZ1 LYS 33 HZ1 LYS 33 12.344 -10.749 6.569 261 HZ2 LYS 33 HZ2 LYS 33 11.172 -9.698 5.945 262 HZ3 LYS 33 HZ3 LYS 33 12.081 -9.250 7.302 263 H ALA 34 H ALA 34 10.532 -4.032 7.843 264 HA ALA 34 HA ALA 34 9.685 -5.874 10.031 265 HB1 ALA 34 HB1 ALA 34 12.139 -5.594 10.018 266 HB2 ALA 34 HB2 ALA 34 11.417 -4.856 11.450 267 HB3 ALA 34 HB3 ALA 34 11.943 -3.840 10.104 268 H LYS 35 H LYS 35 9.162 -4.415 12.158 269 HA LYS 35 HA LYS 35 7.021 -2.779 11.337 270 HB2 LYS 35 HB2 LYS 35 6.618 -2.422 13.741 271 HB3 LYS 35 HB3 LYS 35 6.835 -4.108 13.342 272 HG2 LYS 35 HG2 LYS 35 7.956 -3.984 15.342 273 HG3 LYS 35 HG3 LYS 35 9.290 -3.733 14.214 274 HD2 LYS 35 HD2 LYS 35 9.253 -1.334 14.631 275 HD3 LYS 35 HD3 LYS 35 7.779 -1.479 15.596 276 HE2 LYS 35 HE2 LYS 35 9.874 -1.226 16.955 277 HE3 LYS 35 HE3 LYS 35 8.943 -2.675 17.332 278 HZ1 LYS 35 HZ1 LYS 35 11.352 -2.600 15.586 279 HZ2 LYS 35 HZ2 LYS 35 10.480 -3.981 16.034 280 HZ3 LYS 35 HZ3 LYS 35 11.324 -3.099 17.200 281 H ALA 36 H ALA 36 10.203 -1.999 12.789 282 HA ALA 36 HA ALA 36 9.985 0.770 12.913 283 HB1 ALA 36 HB1 ALA 36 11.887 -0.471 13.856 284 HB2 ALA 36 HB2 ALA 36 12.449 0.834 12.811 285 HB3 ALA 36 HB3 ALA 36 12.474 -0.833 12.232 286 H SER 37 H SER 37 10.855 -1.278 10.160 287 HA SER 37 HA SER 37 11.320 0.805 8.263 288 HB2 SER 37 HB2 SER 37 10.567 -2.109 7.744 289 HB3 SER 37 HB3 SER 37 11.394 -1.015 6.628 290 HG SER 37 HG SER 37 13.214 -1.279 7.705 291 H ALA 38 H ALA 38 8.493 -0.933 9.390 292 HA ALA 38 HA ALA 38 6.775 -0.474 7.190 293 HB1 ALA 38 HB1 ALA 38 4.965 -1.265 8.656 294 HB2 ALA 38 HB2 ALA 38 6.031 -1.143 10.059 295 HB3 ALA 38 HB3 ALA 38 6.383 -2.307 8.782 296 H ILE 39 H ILE 39 6.795 1.024 10.495 297 HA ILE 39 HA ILE 39 5.072 3.124 10.015 298 HB ILE 39 HB ILE 39 7.420 2.911 11.956 299 HG12 ILE 39 HG12 ILE 39 5.477 2.962 13.673 300 HG13 ILE 39 HG13 ILE 39 4.381 2.779 12.310 301 HG21 ILE 39 HG21 ILE 39 6.616 4.971 13.103 302 HG22 ILE 39 HG22 ILE 39 5.471 5.247 11.785 303 HG23 ILE 39 HG23 ILE 39 7.207 5.301 11.474 304 HD11 ILE 39 HD11 ILE 39 4.759 0.684 13.449 305 HD12 ILE 39 HD12 ILE 39 6.499 0.822 13.180 306 HD13 ILE 39 HD13 ILE 39 5.406 0.615 11.809 307 H HIS 40 H HIS 40 8.643 3.054 9.542 308 HA HIS 40 HA HIS 40 9.017 5.711 8.754 309 HB2 HIS 40 HB2 HIS 40 10.570 3.175 8.231 310 HB3 HIS 40 HB3 HIS 40 11.024 4.630 7.351 311 HD1 HIS 40 HD1 HIS 40 13.101 5.406 8.461 312 HD2 HIS 40 HD2 HIS 40 10.193 4.355 11.232 313 HE1 HIS 40 HE1 HIS 40 14.033 6.060 10.695 314 HE2 HIS 40 HE2 HIS 40 12.296 5.331 12.358 315 H ALA 41 H ALA 41 8.154 2.895 6.741 316 HA ALA 41 HA ALA 41 8.019 4.134 4.250 317 HB1 ALA 41 HB1 ALA 41 6.545 2.275 3.612 318 HB2 ALA 41 HB2 ALA 41 6.276 1.877 5.313 319 HB3 ALA 41 HB3 ALA 41 7.881 1.683 4.605 320 H ILE 42 H ILE 42 5.452 3.662 6.689 321 HA ILE 42 HA ILE 42 3.411 5.069 5.384 322 HB ILE 42 HB ILE 42 3.819 4.651 8.373 323 HG12 ILE 42 HG12 ILE 42 2.060 3.055 6.449 324 HG13 ILE 42 HG13 ILE 42 3.712 2.585 6.832 325 HG21 ILE 42 HG21 ILE 42 1.359 5.013 8.565 326 HG22 ILE 42 HG22 ILE 42 1.291 5.432 6.850 327 HG23 ILE 42 HG23 ILE 42 2.187 6.454 7.978 328 HD11 ILE 42 HD11 ILE 42 3.116 2.305 9.149 329 HD12 ILE 42 HD12 ILE 42 2.085 1.335 8.099 330 HD13 ILE 42 HD13 ILE 42 1.461 2.824 8.809 331 H GLU 43 H GLU 43 6.147 6.246 7.201 332 HA GLU 43 HA GLU 43 5.112 8.825 7.848 333 HB2 GLU 43 HB2 GLU 43 7.963 7.805 7.700 334 HB3 GLU 43 HB3 GLU 43 7.563 9.457 8.168 335 HG2 GLU 43 HG2 GLU 43 6.212 8.543 10.070 336 HG3 GLU 43 HG3 GLU 43 6.743 6.922 9.629 337 H SER 44 H SER 44 6.859 7.465 5.048 338 HA SER 44 HA SER 44 7.278 9.805 3.553 339 HB2 SER 44 HB2 SER 44 6.678 6.947 2.774 340 HB3 SER 44 HB3 SER 44 6.844 8.181 1.529 341 HG SER 44 HG SER 44 8.947 8.363 1.986 342 H ILE 45 H ILE 45 4.337 7.901 4.044 343 HA ILE 45 HA ILE 45 2.837 9.063 1.920 344 HB ILE 45 HB ILE 45 1.366 7.914 4.340 345 HG12 ILE 45 HG12 ILE 45 3.295 6.329 3.912 346 HG13 ILE 45 HG13 ILE 45 1.718 5.605 3.622 347 HG21 ILE 45 HG21 ILE 45 0.994 7.692 1.323 348 HG22 ILE 45 HG22 ILE 45 0.088 8.745 2.422 349 HG23 ILE 45 HG23 ILE 45 -0.094 6.994 2.542 350 HD11 ILE 45 HD11 ILE 45 3.662 6.598 1.557 351 HD12 ILE 45 HD12 ILE 45 2.049 5.966 1.208 352 HD13 ILE 45 HD13 ILE 45 3.262 4.926 1.945 353 H LYS 46 H LYS 46 3.098 9.664 5.416 354 HA LYS 46 HA LYS 46 1.149 11.577 5.762 355 HB2 LYS 46 HB2 LYS 46 3.757 11.570 7.318 356 HB3 LYS 46 HB3 LYS 46 2.171 12.103 7.862 357 HG2 LYS 46 HG2 LYS 46 3.166 9.271 7.484 358 HG3 LYS 46 HG3 LYS 46 2.582 10.037 8.960 359 HD2 LYS 46 HD2 LYS 46 0.941 9.160 6.548 360 HD3 LYS 46 HD3 LYS 46 0.886 8.493 8.183 361 HE2 LYS 46 HE2 LYS 46 0.127 11.357 7.543 362 HE3 LYS 46 HE3 LYS 46 -1.011 10.038 7.526 363 HZ1 LYS 46 HZ1 LYS 46 0.601 10.841 9.871 364 HZ2 LYS 46 HZ2 LYS 46 -0.612 9.662 9.842 365 HZ3 LYS 46 HZ3 LYS 46 -1.006 11.285 9.602 366 H ARG 47 H ARG 47 4.192 11.952 4.284 367 HA ARG 47 HA ARG 47 4.689 14.699 4.932 368 HB2 ARG 47 HB2 ARG 47 5.931 13.128 2.643 369 HB3 ARG 47 HB3 ARG 47 6.572 14.582 3.402 370 HG2 ARG 47 HG2 ARG 47 6.355 11.823 4.625 371 HG3 ARG 47 HG3 ARG 47 7.831 12.651 4.139 372 HD2 ARG 47 HD2 ARG 47 7.520 14.304 5.923 373 HD3 ARG 47 HD3 ARG 47 5.975 13.571 6.367 374 HE ARG 47 HE ARG 47 8.171 11.716 6.470 375 HH11 ARG 47 HH11 ARG 47 6.475 14.162 8.345 376 HH12 ARG 47 HH12 ARG 47 6.996 13.524 9.870 377 HH21 ARG 47 HH21 ARG 47 8.837 10.883 8.449 378 HH22 ARG 47 HH22 ARG 47 8.349 11.643 9.930 379 H ASN 48 H ASN 48 3.421 13.101 1.998 380 HA ASN 48 HA ASN 48 2.060 15.400 1.017 381 HB2 ASN 48 HB2 ASN 48 4.500 16.137 0.678 382 HB3 ASN 48 HB3 ASN 48 4.612 14.911 -0.579 383 HD21 ASN 48 HD21 ASN 48 4.783 16.189 -2.371 384 HD22 ASN 48 HD22 ASN 48 3.592 17.331 -2.878 385 H SER 49 H SER 49 1.915 12.337 1.113 386 HA SER 49 HA SER 49 2.009 11.305 -1.530 387 HB2 SER 49 HB2 SER 49 1.978 10.005 0.643 388 HB3 SER 49 HB3 SER 49 0.236 10.269 0.696 389 HG SER 49 HG SER 49 1.779 8.736 -1.058 390 H ALA 50 H ALA 50 -0.640 12.713 0.372 391 HA ALA 50 HA ALA 50 -2.724 12.400 -1.458 392 HB1 ALA 50 HB1 ALA 50 -3.859 14.154 -0.168 393 HB2 ALA 50 HB2 ALA 50 -2.328 14.592 0.595 394 HB3 ALA 50 HB3 ALA 50 -3.043 13.003 0.895 395 H GLY 51 H GLY 51 -0.101 14.715 -1.421 396 HA2 GLY 51 HA2 GLY 51 -1.176 16.223 -3.716 397 HA3 GLY 51 HA3 GLY 51 0.253 16.619 -2.778 398 H ALA 52 H ALA 52 0.777 13.495 -3.219 399 HA ALA 52 HA ALA 52 2.855 13.876 -5.127 400 HB1 ALA 52 HB1 ALA 52 3.263 11.456 -4.826 401 HB2 ALA 52 HB2 ALA 52 1.714 11.297 -3.973 402 HB3 ALA 52 HB3 ALA 52 3.019 12.264 -3.274 403 H ASP 53 H ASP 53 2.986 13.274 -7.293 404 HA ASP 53 HA ASP 53 0.562 13.192 -8.791 405 HB2 ASP 53 HB2 ASP 53 2.596 14.295 -9.644 406 HB3 ASP 53 HB3 ASP 53 3.440 12.751 -9.692 407 H THR 54 H THR 54 -0.085 11.514 -10.342 408 HA THR 54 HA THR 54 0.652 8.759 -9.508 409 HB THR 54 HB THR 54 -1.978 9.699 -10.751 410 HG1 THR 54 HG1 THR 54 -1.171 9.283 -8.056 411 HG21 THR 54 HG21 THR 54 -1.201 7.034 -9.498 412 HG22 THR 54 HG22 THR 54 -1.558 7.313 -11.204 413 HG23 THR 54 HG23 THR 54 -2.836 7.477 -9.993 414 H VAL 55 H VAL 55 2.163 8.142 -10.932 415 HA VAL 55 HA VAL 55 1.894 8.745 -13.817 416 HB VAL 55 HB VAL 55 3.981 9.576 -12.836 417 HG11 VAL 55 HG11 VAL 55 4.685 6.719 -12.103 418 HG12 VAL 55 HG12 VAL 55 4.287 8.015 -10.975 419 HG13 VAL 55 HG13 VAL 55 5.749 8.122 -11.956 420 HG21 VAL 55 HG21 VAL 55 4.029 8.871 -15.186 421 HG22 VAL 55 HG22 VAL 55 4.493 7.234 -14.713 422 HG23 VAL 55 HG23 VAL 55 5.595 8.583 -14.425 423 H ASP 56 H ASP 56 1.421 7.134 -15.194 424 HA ASP 56 HA ASP 56 1.504 4.334 -14.228 425 HB2 ASP 56 HB2 ASP 56 -0.719 5.270 -14.884 426 HB3 ASP 56 HB3 ASP 56 -0.117 5.498 -16.524 427 H LEU 57 H LEU 57 3.089 3.142 -14.962 428 HA LEU 57 HA LEU 57 4.516 3.682 -17.454 429 HB2 LEU 57 HB2 LEU 57 5.108 1.613 -15.297 430 HB3 LEU 57 HB3 LEU 57 6.140 2.005 -16.659 431 HG LEU 57 HG LEU 57 7.140 3.045 -14.787 432 HD11 LEU 57 HD11 LEU 57 7.068 5.439 -15.220 433 HD12 LEU 57 HD12 LEU 57 5.611 5.233 -16.198 434 HD13 LEU 57 HD13 LEU 57 7.137 4.511 -16.718 435 HD21 LEU 57 HD21 LEU 57 4.473 4.235 -14.006 436 HD22 LEU 57 HD22 LEU 57 6.016 4.514 -13.196 437 HD23 LEU 57 HD23 LEU 57 5.307 2.902 -13.200 438 H THR 58 H THR 58 1.970 1.550 -16.444 439 HA THR 58 HA THR 58 2.830 -0.716 -18.120 440 HB THR 58 HB THR 58 2.037 -1.354 -15.935 441 HG1 THR 58 HG1 THR 58 1.304 -2.530 -17.975 442 HG21 THR 58 HG21 THR 58 -0.631 -0.071 -16.570 443 HG22 THR 58 HG22 THR 58 0.561 0.552 -15.424 444 HG23 THR 58 HG23 THR 58 -0.226 -0.999 -15.120 445 H THR 59 H THR 59 1.323 2.118 -18.719 446 HA THR 59 HA THR 59 -0.672 1.358 -20.642 447 HB THR 59 HB THR 59 0.097 3.806 -21.556 448 HG1 THR 59 HG1 THR 59 0.829 4.062 -18.830 449 HG21 THR 59 HG21 THR 59 -1.450 4.904 -19.990 450 HG22 THR 59 HG22 THR 59 -1.424 3.481 -18.947 451 HG23 THR 59 HG23 THR 59 -2.126 3.375 -20.563 452 H MET 60 H MET 60 2.768 1.344 -20.544 453 HA MET 60 HA MET 60 3.092 0.669 -23.377 454 HB2 MET 60 HB2 MET 60 4.831 2.437 -23.673 455 HB3 MET 60 HB3 MET 60 3.255 3.142 -23.335 456 HG2 MET 60 HG2 MET 60 3.917 3.501 -20.987 457 HG3 MET 60 HG3 MET 60 5.501 2.795 -21.324 458 HE1 MET 60 HE1 MET 60 6.699 4.973 -20.319 459 HE2 MET 60 HE2 MET 60 5.108 5.651 -19.959 460 HE3 MET 60 HE3 MET 60 6.302 6.614 -20.830 461 H THR 61 H THR 61 5.693 0.465 -23.663 462 HA THR 61 HA THR 61 6.817 -1.048 -21.391 463 HB THR 61 HB THR 61 8.631 -1.644 -23.102 464 HG1 THR 61 HG1 THR 61 8.226 -1.175 -25.259 465 HG21 THR 61 HG21 THR 61 6.795 -3.225 -22.616 466 HG22 THR 61 HG22 THR 61 7.262 -3.296 -24.316 467 HG23 THR 61 HG23 THR 61 5.792 -2.444 -23.839 468 H ALA 62 H ALA 62 8.353 -0.133 -20.128 469 HA ALA 62 HA ALA 62 9.987 2.123 -21.071 470 HB1 ALA 62 HB1 ALA 62 8.038 3.168 -19.978 471 HB2 ALA 62 HB2 ALA 62 9.507 3.446 -19.046 472 HB3 ALA 62 HB3 ALA 62 8.342 2.237 -18.504 473 H MET 1 H MET 1 9.483 16.760 -7.788 474 HA MET 1 HA MET 1 9.309 15.410 -5.782 475 HB2 MET 1 HB2 MET 1 7.497 17.034 -6.472 476 HB3 MET 1 HB3 MET 1 6.647 15.714 -7.262 477 HG2 MET 1 HG2 MET 1 6.464 14.581 -5.034 478 HG3 MET 1 HG3 MET 1 7.188 16.006 -4.293 479 HE1 MET 1 HE1 MET 1 5.909 18.421 -5.917 480 HE2 MET 1 HE2 MET 1 5.966 18.401 -4.152 481 HE3 MET 1 HE3 MET 1 4.450 18.750 -4.982 482 H TYR 2 H TYR 2 8.476 13.474 -4.769 483 HA TYR 2 HA TYR 2 8.505 11.094 -6.313 484 HB2 TYR 2 HB2 TYR 2 7.588 10.029 -4.157 485 HB3 TYR 2 HB3 TYR 2 9.177 10.769 -4.111 486 HD1 TYR 2 HD1 TYR 2 5.575 11.726 -3.399 487 HD2 TYR 2 HD2 TYR 2 9.674 12.076 -2.241 488 HE1 TYR 2 HE1 TYR 2 4.912 13.006 -1.406 489 HE2 TYR 2 HE2 TYR 2 9.011 13.343 -0.261 490 HH TYR 2 HH TYR 2 7.061 14.790 0.423 491 H LYS 3 H LYS 3 6.667 9.462 -6.114 492 HA LYS 3 HA LYS 3 4.033 10.354 -6.592 493 HB2 LYS 3 HB2 LYS 3 4.203 9.727 -9.202 494 HB3 LYS 3 HB3 LYS 3 4.469 11.357 -8.626 495 HG2 LYS 3 HG2 LYS 3 6.059 10.649 -10.380 496 HG3 LYS 3 HG3 LYS 3 6.850 11.165 -8.892 497 HD2 LYS 3 HD2 LYS 3 7.357 8.875 -8.289 498 HD3 LYS 3 HD3 LYS 3 6.359 8.253 -9.610 499 HE2 LYS 3 HE2 LYS 3 8.828 8.185 -10.074 500 HE3 LYS 3 HE3 LYS 3 7.900 9.090 -11.269 501 HZ1 LYS 3 HZ1 LYS 3 9.897 10.262 -10.704 502 HZ2 LYS 3 HZ2 LYS 3 9.515 10.250 -9.058 503 HZ3 LYS 3 HZ3 LYS 3 8.574 11.148 -10.140 504 H PHE 4 H PHE 4 2.899 8.609 -8.091 505 HA PHE 4 HA PHE 4 3.487 5.976 -6.901 506 HB2 PHE 4 HB2 PHE 4 0.909 7.154 -8.036 507 HB3 PHE 4 HB3 PHE 4 1.075 5.481 -7.506 508 HD1 PHE 4 HD1 PHE 4 1.371 4.936 -5.130 509 HD2 PHE 4 HD2 PHE 4 0.702 8.988 -6.390 510 HE1 PHE 4 HE1 PHE 4 0.808 5.575 -2.832 511 HE2 PHE 4 HE2 PHE 4 0.164 9.600 -4.084 512 HZ PHE 4 HZ PHE 4 0.207 7.890 -2.317 513 H GLU 5 H GLU 5 4.551 4.709 -8.236 514 HA GLU 5 HA GLU 5 4.421 5.061 -11.165 515 HB2 GLU 5 HB2 GLU 5 6.437 3.608 -9.394 516 HB3 GLU 5 HB3 GLU 5 6.451 3.500 -11.152 517 HG2 GLU 5 HG2 GLU 5 6.829 5.907 -11.326 518 HG3 GLU 5 HG3 GLU 5 6.765 6.064 -9.568 519 H ILE 6 H ILE 6 2.891 3.824 -12.138 520 HA ILE 6 HA ILE 6 1.868 1.403 -10.809 521 HB ILE 6 HB ILE 6 0.650 2.881 -13.188 522 HG12 ILE 6 HG12 ILE 6 -0.190 3.233 -10.276 523 HG13 ILE 6 HG13 ILE 6 0.886 4.348 -11.109 524 HG21 ILE 6 HG21 ILE 6 -0.586 0.908 -11.214 525 HG22 ILE 6 HG22 ILE 6 -0.127 0.545 -12.880 526 HG23 ILE 6 HG23 ILE 6 -1.432 1.689 -12.555 527 HD11 ILE 6 HD11 ILE 6 -0.887 4.835 -12.731 528 HD12 ILE 6 HD12 ILE 6 -1.367 5.180 -11.070 529 HD13 ILE 6 HD13 ILE 6 -1.956 3.726 -11.864 530 H TYR 7 H TYR 7 2.423 -0.494 -11.663 531 HA TYR 7 HA TYR 7 2.871 -0.740 -14.549 532 HB2 TYR 7 HB2 TYR 7 4.934 -2.059 -14.219 533 HB3 TYR 7 HB3 TYR 7 5.132 -0.413 -13.622 534 HD1 TYR 7 HD1 TYR 7 5.205 0.023 -11.173 535 HD2 TYR 7 HD2 TYR 7 5.069 -3.980 -12.657 536 HE1 TYR 7 HE1 TYR 7 5.876 -0.829 -8.997 537 HE2 TYR 7 HE2 TYR 7 5.742 -4.828 -10.453 538 HH TYR 7 HH TYR 7 6.893 -4.037 -8.440 539 H GLN 8 H GLN 8 3.170 -3.176 -15.025 540 HA GLN 8 HA GLN 8 1.676 -4.885 -13.115 541 HB2 GLN 8 HB2 GLN 8 0.793 -6.239 -14.820 542 HB3 GLN 8 HB3 GLN 8 0.637 -4.625 -15.507 543 HG2 GLN 8 HG2 GLN 8 2.759 -5.065 -16.793 544 HG3 GLN 8 HG3 GLN 8 2.732 -6.709 -16.182 545 HE21 GLN 8 HE21 GLN 8 -0.186 -6.970 -16.380 546 HE22 GLN 8 HE22 GLN 8 -0.538 -7.129 -18.059 547 H ASP 9 H ASP 9 2.691 -6.781 -12.574 548 HA ASP 9 HA ASP 9 5.590 -6.789 -12.897 549 HB2 ASP 9 HB2 ASP 9 4.337 -6.867 -10.608 550 HB3 ASP 9 HB3 ASP 9 3.953 -8.539 -11.010 551 H LYS 10 H LYS 10 6.552 -9.076 -12.965 552 HA LYS 10 HA LYS 10 6.343 -10.223 -15.388 553 HB2 LYS 10 HB2 LYS 10 8.142 -10.577 -13.680 554 HB3 LYS 10 HB3 LYS 10 7.098 -11.690 -12.823 555 HG2 LYS 10 HG2 LYS 10 7.872 -12.236 -15.694 556 HG3 LYS 10 HG3 LYS 10 8.991 -12.600 -14.386 557 HD2 LYS 10 HD2 LYS 10 7.240 -14.077 -13.366 558 HD3 LYS 10 HD3 LYS 10 6.203 -13.760 -14.757 559 HE2 LYS 10 HE2 LYS 10 7.314 -15.895 -15.061 560 HE3 LYS 10 HE3 LYS 10 7.940 -14.748 -16.243 561 HZ1 LYS 10 HZ1 LYS 10 9.713 -16.039 -15.269 562 HZ2 LYS 10 HZ2 LYS 10 9.277 -15.544 -13.712 563 HZ3 LYS 10 HZ3 LYS 10 9.875 -14.415 -14.822 564 H ALA 11 H ALA 11 4.366 -11.091 -12.630 565 HA ALA 11 HA ALA 11 3.110 -13.448 -13.777 566 HB1 ALA 11 HB1 ALA 11 3.462 -13.234 -11.352 567 HB2 ALA 11 HB2 ALA 11 1.747 -13.427 -11.717 568 HB3 ALA 11 HB3 ALA 11 2.388 -11.835 -11.304 569 H GLY 12 H GLY 12 2.791 -10.542 -14.989 570 HA2 GLY 12 HA2 GLY 12 1.240 -9.196 -15.982 571 HA3 GLY 12 HA3 GLY 12 0.201 -10.604 -16.038 572 H GLU 13 H GLU 13 1.422 -9.203 -13.044 573 HA GLU 13 HA GLU 13 -1.417 -8.842 -12.169 574 HB2 GLU 13 HB2 GLU 13 -0.123 -10.584 -10.944 575 HB3 GLU 13 HB3 GLU 13 1.081 -9.388 -10.497 576 HG2 GLU 13 HG2 GLU 13 -0.360 -9.835 -8.609 577 HG3 GLU 13 HG3 GLU 13 -0.608 -8.179 -9.149 578 H TYR 14 H TYR 14 -1.995 -6.826 -11.140 579 HA TYR 14 HA TYR 14 -0.221 -4.714 -12.186 580 HB2 TYR 14 HB2 TYR 14 -3.205 -4.750 -11.660 581 HB3 TYR 14 HB3 TYR 14 -2.331 -3.226 -11.810 582 HD1 TYR 14 HD1 TYR 14 -3.169 -6.384 -13.639 583 HD2 TYR 14 HD2 TYR 14 -1.613 -2.414 -13.955 584 HE1 TYR 14 HE1 TYR 14 -3.183 -6.567 -16.093 585 HE2 TYR 14 HE2 TYR 14 -1.641 -2.594 -16.399 586 HH TYR 14 HH TYR 14 -1.613 -4.307 -18.130 587 H ARG 15 H ARG 15 0.952 -3.694 -10.947 588 HA ARG 15 HA ARG 15 0.543 -3.423 -8.052 589 HB2 ARG 15 HB2 ARG 15 2.996 -4.614 -9.437 590 HB3 ARG 15 HB3 ARG 15 2.955 -4.147 -7.735 591 HG2 ARG 15 HG2 ARG 15 1.272 -5.806 -7.254 592 HG3 ARG 15 HG3 ARG 15 1.101 -6.209 -8.964 593 HD2 ARG 15 HD2 ARG 15 3.190 -7.278 -9.038 594 HD3 ARG 15 HD3 ARG 15 3.738 -6.509 -7.547 595 HE ARG 15 HE ARG 15 1.477 -8.090 -6.994 596 HH11 ARG 15 HH11 ARG 15 4.824 -8.611 -7.938 597 HH12 ARG 15 HH12 ARG 15 4.960 -10.089 -7.037 598 HH21 ARG 15 HH21 ARG 15 1.684 -10.016 -5.822 599 HH22 ARG 15 HH22 ARG 15 3.190 -10.878 -5.841 600 H PHE 16 H PHE 16 1.245 -1.479 -7.310 601 HA PHE 16 HA PHE 16 3.046 0.136 -8.992 602 HB2 PHE 16 HB2 PHE 16 1.852 2.182 -8.103 603 HB3 PHE 16 HB3 PHE 16 0.917 1.193 -9.207 604 HD1 PHE 16 HD1 PHE 16 -1.041 -0.072 -8.433 605 HD2 PHE 16 HD2 PHE 16 1.190 2.402 -5.749 606 HE1 PHE 16 HE1 PHE 16 -2.901 -0.135 -6.828 607 HE2 PHE 16 HE2 PHE 16 -0.675 2.334 -4.159 608 HZ PHE 16 HZ PHE 16 -2.721 1.070 -4.688 609 H ARG 17 H ARG 17 4.105 1.864 -7.757 610 HA ARG 17 HA ARG 17 4.948 1.053 -5.024 611 HB2 ARG 17 HB2 ARG 17 6.724 2.425 -7.102 612 HB3 ARG 17 HB3 ARG 17 7.222 1.740 -5.556 613 HG2 ARG 17 HG2 ARG 17 6.749 -0.512 -6.436 614 HG3 ARG 17 HG3 ARG 17 6.255 0.187 -7.964 615 HD2 ARG 17 HD2 ARG 17 9.031 0.518 -6.792 616 HD3 ARG 17 HD3 ARG 17 8.583 -0.765 -7.922 617 HE ARG 17 HE ARG 17 8.256 2.087 -8.657 618 HH11 ARG 17 HH11 ARG 17 9.712 -1.042 -9.289 619 HH12 ARG 17 HH12 ARG 17 10.372 -0.555 -10.810 620 HH21 ARG 17 HH21 ARG 17 9.100 2.671 -10.692 621 HH22 ARG 17 HH22 ARG 17 10.017 1.523 -11.612 622 H PHE 18 H PHE 18 5.574 2.841 -3.644 623 HA PHE 18 HA PHE 18 5.059 5.569 -4.707 624 HB2 PHE 18 HB2 PHE 18 3.484 4.987 -2.837 625 HB3 PHE 18 HB3 PHE 18 4.869 4.694 -1.794 626 HD1 PHE 18 HD1 PHE 18 4.221 7.492 -4.218 627 HD2 PHE 18 HD2 PHE 18 4.717 6.359 -0.127 628 HE1 PHE 18 HE1 PHE 18 4.116 9.844 -3.543 629 HE2 PHE 18 HE2 PHE 18 4.596 8.722 0.549 630 HZ PHE 18 HZ PHE 18 4.318 10.466 -1.170 631 H LYS 19 H LYS 19 6.712 6.879 -4.669 632 HA LYS 19 HA LYS 19 9.359 5.811 -3.909 633 HB2 LYS 19 HB2 LYS 19 8.555 8.103 -5.782 634 HB3 LYS 19 HB3 LYS 19 10.198 7.491 -5.541 635 HG2 LYS 19 HG2 LYS 19 7.866 5.900 -6.681 636 HG3 LYS 19 HG3 LYS 19 9.190 6.607 -7.618 637 HD2 LYS 19 HD2 LYS 19 9.655 4.571 -5.389 638 HD3 LYS 19 HD3 LYS 19 9.392 4.102 -7.066 639 HE2 LYS 19 HE2 LYS 19 11.566 6.086 -6.394 640 HE3 LYS 19 HE3 LYS 19 11.845 4.363 -6.182 641 HZ1 LYS 19 HZ1 LYS 19 11.327 4.012 -8.498 642 HZ2 LYS 19 HZ2 LYS 19 12.555 5.167 -8.368 643 HZ3 LYS 19 HZ3 LYS 19 10.971 5.648 -8.709 644 H ALA 20 H ALA 20 10.908 7.803 -3.584 645 HA ALA 20 HA ALA 20 9.814 9.925 -1.879 646 HB1 ALA 20 HB1 ALA 20 12.172 8.196 -1.058 647 HB2 ALA 20 HB2 ALA 20 10.581 8.188 -0.301 648 HB3 ALA 20 HB3 ALA 20 11.599 9.628 -0.201 649 H SER 21 H SER 21 11.446 11.717 -1.653 650 HA SER 21 HA SER 21 12.238 12.722 -4.063 651 HB2 SER 21 HB2 SER 21 13.540 14.408 -2.762 652 HB3 SER 21 HB3 SER 21 11.945 14.099 -2.076 653 HG SER 21 HG SER 21 12.820 13.025 -0.426 654 H ASN 22 H ASN 22 14.182 10.653 -1.980 655 HA ASN 22 HA ASN 22 16.731 11.145 -3.216 656 HB2 ASN 22 HB2 ASN 22 16.416 10.376 -0.843 657 HB3 ASN 22 HB3 ASN 22 15.847 8.825 -1.444 658 HD21 ASN 22 HD21 ASN 22 17.505 7.629 -0.498 659 HD22 ASN 22 HD22 ASN 22 19.152 7.728 -0.979 660 H GLY 23 H GLY 23 14.048 9.462 -4.311 661 HA2 GLY 23 HA2 GLY 23 13.657 8.067 -6.085 662 HA3 GLY 23 HA3 GLY 23 15.379 8.016 -6.412 663 H GLU 24 H GLU 24 13.463 7.158 -3.583 664 HA GLU 24 HA GLU 24 14.417 4.358 -3.697 665 HB2 GLU 24 HB2 GLU 24 14.495 4.405 -1.182 666 HB3 GLU 24 HB3 GLU 24 15.702 5.434 -1.942 667 HG2 GLU 24 HG2 GLU 24 14.405 7.430 -1.440 668 HG3 GLU 24 HG3 GLU 24 13.073 6.455 -0.824 669 H THR 25 H THR 25 12.895 2.835 -3.197 670 HA THR 25 HA THR 25 10.087 3.703 -3.006 671 HB THR 25 HB THR 25 11.294 0.967 -3.611 672 HG1 THR 25 HG1 THR 25 10.479 1.468 -5.752 673 HG21 THR 25 HG21 THR 25 8.405 1.871 -3.817 674 HG22 THR 25 HG22 THR 25 9.040 0.719 -2.641 675 HG23 THR 25 HG23 THR 25 9.029 0.310 -4.357 676 H MET 26 H MET 26 8.948 3.389 -1.299 677 HA MET 26 HA MET 26 10.111 2.093 1.112 678 HB2 MET 26 HB2 MET 26 8.420 3.709 2.320 679 HB3 MET 26 HB3 MET 26 9.960 4.312 1.742 680 HG2 MET 26 HG2 MET 26 8.153 5.874 1.277 681 HG3 MET 26 HG3 MET 26 8.880 5.291 -0.218 682 HE1 MET 26 HE1 MET 26 5.848 5.154 2.180 683 HE2 MET 26 HE2 MET 26 6.335 3.456 2.146 684 HE3 MET 26 HE3 MET 26 4.811 3.950 1.415 685 H PHE 27 H PHE 27 7.287 2.071 -1.009 686 HA PHE 27 HA PHE 27 7.119 -0.663 -0.258 687 HB2 PHE 27 HB2 PHE 27 4.829 -0.876 0.467 688 HB3 PHE 27 HB3 PHE 27 5.681 0.208 1.543 689 HD1 PHE 27 HD1 PHE 27 4.982 2.342 -1.105 690 HD2 PHE 27 HD2 PHE 27 2.959 0.110 1.938 691 HE1 PHE 27 HE1 PHE 27 3.126 3.943 -1.130 692 HE2 PHE 27 HE2 PHE 27 1.132 1.739 1.892 693 HZ PHE 27 HZ PHE 27 1.218 3.654 0.358 694 H SER 28 H SER 28 5.317 -1.799 -1.392 695 HA SER 28 HA SER 28 4.473 -0.984 -4.003 696 HB2 SER 28 HB2 SER 28 6.271 -2.129 -5.357 697 HB3 SER 28 HB3 SER 28 6.871 -0.730 -4.467 698 HG SER 28 HG SER 28 7.603 -2.222 -2.841 699 H SER 29 H SER 29 4.011 -2.920 -5.494 700 HA SER 29 HA SER 29 3.452 -5.008 -5.996 701 HB2 SER 29 HB2 SER 29 5.365 -5.826 -3.782 702 HB3 SER 29 HB3 SER 29 4.831 -6.846 -5.123 703 HG SER 29 HG SER 29 6.560 -4.621 -5.135 704 H GLU 30 H GLU 30 2.018 -3.592 -3.782 705 HA GLU 30 HA GLU 30 0.748 -5.304 -2.061 706 HB2 GLU 30 HB2 GLU 30 -1.322 -3.659 -2.664 707 HB3 GLU 30 HB3 GLU 30 0.027 -3.166 -1.659 708 HG2 GLU 30 HG2 GLU 30 -0.664 -1.455 -3.322 709 HG3 GLU 30 HG3 GLU 30 1.028 -1.919 -3.455 710 H GLY 31 H GLY 31 0.124 -4.881 -5.591 711 HA2 GLY 31 HA2 GLY 31 -0.675 -6.365 -7.089 712 HA3 GLY 31 HA3 GLY 31 -0.565 -7.610 -5.853 713 H TYR 32 H TYR 32 -2.614 -4.696 -6.604 714 HA TYR 32 HA TYR 32 -4.625 -5.659 -4.781 715 HB2 TYR 32 HB2 TYR 32 -4.177 -3.209 -5.071 716 HB3 TYR 32 HB3 TYR 32 -4.807 -3.301 -6.718 717 HD1 TYR 32 HD1 TYR 32 -5.857 -4.397 -3.270 718 HD2 TYR 32 HD2 TYR 32 -7.059 -2.563 -6.937 719 HE1 TYR 32 HE1 TYR 32 -8.122 -4.084 -2.374 720 HE2 TYR 32 HE2 TYR 32 -9.318 -2.240 -6.032 721 HH TYR 32 HH TYR 32 -10.072 -2.626 -2.751 722 H LYS 33 H LYS 33 -4.906 -4.814 -8.304 723 HA LYS 33 HA LYS 33 -5.261 -7.489 -9.066 724 HB2 LYS 33 HB2 LYS 33 -7.531 -7.297 -8.107 725 HB3 LYS 33 HB3 LYS 33 -7.870 -5.903 -9.120 726 HG2 LYS 33 HG2 LYS 33 -8.894 -8.110 -9.880 727 HG3 LYS 33 HG3 LYS 33 -7.985 -7.225 -11.102 728 HD2 LYS 33 HD2 LYS 33 -7.507 -9.643 -11.214 729 HD3 LYS 33 HD3 LYS 33 -6.061 -8.725 -10.811 730 HE2 LYS 33 HE2 LYS 33 -6.571 -9.326 -8.354 731 HE3 LYS 33 HE3 LYS 33 -7.715 -10.506 -9.000 732 HZ1 LYS 33 HZ1 LYS 33 -5.853 -11.473 -10.267 733 HZ2 LYS 33 HZ2 LYS 33 -5.608 -11.541 -8.596 734 HZ3 LYS 33 HZ3 LYS 33 -4.791 -10.385 -9.520 735 H ALA 34 H ALA 34 -6.697 -4.441 -10.311 736 HA ALA 34 HA ALA 34 -5.396 -4.991 -12.935 737 HB1 ALA 34 HB1 ALA 34 -7.499 -4.289 -14.028 738 HB2 ALA 34 HB2 ALA 34 -8.266 -4.110 -12.446 739 HB3 ALA 34 HB3 ALA 34 -7.749 -5.702 -13.001 740 H LYS 35 H LYS 35 -5.593 -2.854 -14.392 741 HA LYS 35 HA LYS 35 -4.171 -0.841 -13.045 742 HB2 LYS 35 HB2 LYS 35 -3.893 -1.416 -15.410 743 HB3 LYS 35 HB3 LYS 35 -5.552 -0.953 -15.749 744 HG2 LYS 35 HG2 LYS 35 -4.699 1.423 -14.887 745 HG3 LYS 35 HG3 LYS 35 -3.118 0.764 -15.328 746 HD2 LYS 35 HD2 LYS 35 -4.375 0.113 -17.588 747 HD3 LYS 35 HD3 LYS 35 -5.499 1.373 -17.081 748 HE2 LYS 35 HE2 LYS 35 -3.878 2.335 -18.582 749 HE3 LYS 35 HE3 LYS 35 -3.552 2.947 -16.956 750 HZ1 LYS 35 HZ1 LYS 35 -1.549 2.244 -18.128 751 HZ2 LYS 35 HZ2 LYS 35 -2.144 0.664 -18.206 752 HZ3 LYS 35 HZ3 LYS 35 -1.795 1.375 -16.710 753 H ALA 36 H ALA 36 -7.545 -0.961 -14.303 754 HA ALA 36 HA ALA 36 -8.448 1.548 -13.496 755 HB1 ALA 36 HB1 ALA 36 -9.773 0.030 -14.905 756 HB2 ALA 36 HB2 ALA 36 -10.724 0.595 -13.529 757 HB3 ALA 36 HB3 ALA 36 -10.047 -1.035 -13.524 758 H SER 37 H SER 37 -8.231 -1.449 -11.623 759 HA SER 37 HA SER 37 -9.336 -0.456 -9.180 760 HB2 SER 37 HB2 SER 37 -7.490 -2.845 -9.616 761 HB3 SER 37 HB3 SER 37 -8.571 -2.577 -8.247 762 HG SER 37 HG SER 37 -10.247 -2.490 -10.013 763 H ALA 38 H ALA 38 -6.146 -0.498 -10.627 764 HA ALA 38 HA ALA 38 -4.581 -0.141 -8.300 765 HB1 ALA 38 HB1 ALA 38 -2.736 0.386 -9.857 766 HB2 ALA 38 HB2 ALA 38 -3.890 0.485 -11.194 767 HB3 ALA 38 HB3 ALA 38 -3.626 -1.051 -10.367 768 H ILE 39 H ILE 39 -5.435 2.213 -10.914 769 HA ILE 39 HA ILE 39 -4.627 4.540 -9.671 770 HB ILE 39 HB ILE 39 -6.832 4.045 -11.708 771 HG12 ILE 39 HG12 ILE 39 -5.238 5.448 -13.187 772 HG13 ILE 39 HG13 ILE 39 -4.053 5.301 -11.896 773 HG21 ILE 39 HG21 ILE 39 -7.047 6.492 -12.059 774 HG22 ILE 39 HG22 ILE 39 -6.021 6.769 -10.648 775 HG23 ILE 39 HG23 ILE 39 -7.595 5.993 -10.458 776 HD11 ILE 39 HD11 ILE 39 -3.639 3.734 -13.682 777 HD12 ILE 39 HD12 ILE 39 -5.250 3.042 -13.487 778 HD13 ILE 39 HD13 ILE 39 -4.054 2.872 -12.199 779 H HIS 40 H HIS 40 -7.838 2.928 -9.462 780 HA HIS 40 HA HIS 40 -9.164 4.826 -7.882 781 HB2 HIS 40 HB2 HIS 40 -9.565 1.840 -8.225 782 HB3 HIS 40 HB3 HIS 40 -10.551 2.745 -7.079 783 HD1 HIS 40 HD1 HIS 40 -12.680 2.262 -8.468 784 HD2 HIS 40 HD2 HIS 40 -9.793 4.433 -10.527 785 HE1 HIS 40 HE1 HIS 40 -13.841 3.179 -10.499 786 HE2 HIS 40 HE2 HIS 40 -12.025 4.318 -11.813 787 H ALA 41 H ALA 41 -7.147 2.060 -6.849 788 HA ALA 41 HA ALA 41 -7.305 2.372 -4.091 789 HB1 ALA 41 HB1 ALA 41 -4.919 1.460 -5.745 790 HB2 ALA 41 HB2 ALA 41 -6.259 0.438 -5.220 791 HB3 ALA 41 HB3 ALA 41 -5.172 1.147 -4.024 792 H ILE 42 H ILE 42 -4.937 3.757 -6.374 793 HA ILE 42 HA ILE 42 -3.521 5.343 -4.554 794 HB ILE 42 HB ILE 42 -3.959 5.795 -7.532 795 HG12 ILE 42 HG12 ILE 42 -1.579 4.476 -6.141 796 HG13 ILE 42 HG13 ILE 42 -2.945 3.556 -6.764 797 HG21 ILE 42 HG21 ILE 42 -1.855 7.130 -7.452 798 HG22 ILE 42 HG22 ILE 42 -1.824 6.966 -5.694 799 HG23 ILE 42 HG23 ILE 42 -3.132 7.857 -6.474 800 HD11 ILE 42 HD11 ILE 42 -2.456 4.285 -8.997 801 HD12 ILE 42 HD12 ILE 42 -1.035 3.549 -8.256 802 HD13 ILE 42 HD13 ILE 42 -1.136 5.303 -8.412 803 H GLU 43 H GLU 43 -6.621 5.900 -6.079 804 HA GLU 43 HA GLU 43 -6.718 8.726 -5.729 805 HB2 GLU 43 HB2 GLU 43 -8.939 6.711 -6.170 806 HB3 GLU 43 HB3 GLU 43 -9.223 8.449 -6.042 807 HG2 GLU 43 HG2 GLU 43 -7.620 8.763 -7.978 808 HG3 GLU 43 HG3 GLU 43 -7.590 7.014 -8.160 809 H SER 44 H SER 44 -7.591 5.951 -3.669 810 HA SER 44 HA SER 44 -8.784 7.314 -1.526 811 HB2 SER 44 HB2 SER 44 -7.012 4.861 -1.652 812 HB3 SER 44 HB3 SER 44 -7.658 5.429 -0.113 813 HG SER 44 HG SER 44 -9.760 5.373 -1.501 814 H ILE 45 H ILE 45 -5.383 6.980 -2.415 815 HA ILE 45 HA ILE 45 -4.301 7.872 0.063 816 HB ILE 45 HB ILE 45 -2.664 8.243 -2.489 817 HG12 ILE 45 HG12 ILE 45 -3.863 6.006 -2.756 818 HG13 ILE 45 HG13 ILE 45 -2.108 5.890 -2.686 819 HG21 ILE 45 HG21 ILE 45 -2.071 7.140 0.283 820 HG22 ILE 45 HG22 ILE 45 -1.669 8.752 -0.324 821 HG23 ILE 45 HG23 ILE 45 -0.876 7.336 -1.014 822 HD11 ILE 45 HD11 ILE 45 -4.061 5.245 -0.488 823 HD12 ILE 45 HD12 ILE 45 -2.302 5.213 -0.318 824 HD13 ILE 45 HD13 ILE 45 -3.099 4.122 -1.443 825 H LYS 46 H LYS 46 -5.029 9.427 -3.046 826 HA LYS 46 HA LYS 46 -3.986 11.944 -2.609 827 HB2 LYS 46 HB2 LYS 46 -6.511 11.563 -4.241 828 HB3 LYS 46 HB3 LYS 46 -5.194 12.698 -4.495 829 HG2 LYS 46 HG2 LYS 46 -5.337 9.768 -5.189 830 HG3 LYS 46 HG3 LYS 46 -4.957 11.140 -6.226 831 HD2 LYS 46 HD2 LYS 46 -3.161 9.881 -4.112 832 HD3 LYS 46 HD3 LYS 46 -2.958 9.795 -5.862 833 HE2 LYS 46 HE2 LYS 46 -2.764 12.311 -4.202 834 HE3 LYS 46 HE3 LYS 46 -1.424 11.378 -4.790 835 HZ1 LYS 46 HZ1 LYS 46 -3.431 12.781 -6.448 836 HZ2 LYS 46 HZ2 LYS 46 -2.164 11.841 -7.050 837 HZ3 LYS 46 HZ3 LYS 46 -1.829 13.256 -6.197 838 H ARG 47 H ARG 47 -6.833 10.605 -1.318 839 HA ARG 47 HA ARG 47 -8.386 12.991 -1.022 840 HB2 ARG 47 HB2 ARG 47 -8.722 10.290 0.347 841 HB3 ARG 47 HB3 ARG 47 -9.905 11.595 0.395 842 HG2 ARG 47 HG2 ARG 47 -9.026 10.028 -2.047 843 HG3 ARG 47 HG3 ARG 47 -10.599 9.970 -1.252 844 HD2 ARG 47 HD2 ARG 47 -11.055 12.281 -1.919 845 HD3 ARG 47 HD3 ARG 47 -9.441 12.431 -2.618 846 HE ARG 47 HE ARG 47 -11.054 10.308 -3.745 847 HH11 ARG 47 HH11 ARG 47 -10.070 13.670 -4.057 848 HH12 ARG 47 HH12 ARG 47 -10.611 13.797 -5.702 849 HH21 ARG 47 HH21 ARG 47 -11.725 10.486 -5.917 850 HH22 ARG 47 HH22 ARG 47 -11.538 11.994 -6.750 851 H ASN 48 H ASN 48 -6.374 11.165 1.278 852 HA ASN 48 HA ASN 48 -5.990 13.339 3.082 853 HB2 ASN 48 HB2 ASN 48 -8.523 12.784 3.385 854 HB3 ASN 48 HB3 ASN 48 -7.987 11.364 4.267 855 HD21 ASN 48 HD21 ASN 48 -8.301 14.817 4.304 856 HD22 ASN 48 HD22 ASN 48 -7.929 15.053 5.973 857 H SER 49 H SER 49 -4.660 10.778 1.963 858 HA SER 49 HA SER 49 -4.140 8.968 4.092 859 HB2 SER 49 HB2 SER 49 -2.312 8.140 2.723 860 HB3 SER 49 HB3 SER 49 -3.681 8.521 1.674 861 HG SER 49 HG SER 49 -2.402 9.848 0.660 862 H ALA 50 H ALA 50 -2.395 11.849 2.954 863 HA ALA 50 HA ALA 50 -0.239 11.813 4.715 864 HB1 ALA 50 HB1 ALA 50 0.029 14.187 4.128 865 HB2 ALA 50 HB2 ALA 50 -1.601 14.204 3.446 866 HB3 ALA 50 HB3 ALA 50 -0.345 13.207 2.707 867 H GLY 51 H GLY 51 -3.547 12.786 5.261 868 HA2 GLY 51 HA2 GLY 51 -2.966 13.758 7.989 869 HA3 GLY 51 HA3 GLY 51 -4.508 13.846 7.153 870 H ALA 52 H ALA 52 -3.753 10.806 6.499 871 HA ALA 52 HA ALA 52 -5.669 9.705 8.293 872 HB1 ALA 52 HB1 ALA 52 -5.357 8.854 6.006 873 HB2 ALA 52 HB2 ALA 52 -5.134 7.560 7.185 874 HB3 ALA 52 HB3 ALA 52 -3.724 8.312 6.415 875 H ASP 53 H ASP 53 -5.396 8.400 10.118 876 HA ASP 53 HA ASP 53 -3.007 8.807 11.641 877 HB2 ASP 53 HB2 ASP 53 -5.278 8.686 12.662 878 HB3 ASP 53 HB3 ASP 53 -5.379 6.982 12.219 879 H THR 54 H THR 54 -1.668 7.110 12.599 880 HA THR 54 HA THR 54 -1.326 4.718 10.870 881 HB THR 54 HB THR 54 0.801 6.121 12.552 882 HG1 THR 54 HG1 THR 54 0.034 6.419 9.827 883 HG21 THR 54 HG21 THR 54 1.382 3.776 12.106 884 HG22 THR 54 HG22 THR 54 2.404 4.836 11.127 885 HG23 THR 54 HG23 THR 54 1.041 3.997 10.386 886 H VAL 55 H VAL 55 -2.383 3.136 11.909 887 HA VAL 55 HA VAL 55 -2.253 2.792 14.851 888 HB VAL 55 HB VAL 55 -4.158 1.529 12.814 889 HG11 VAL 55 HG11 VAL 55 -3.874 0.061 14.735 890 HG12 VAL 55 HG12 VAL 55 -5.488 0.773 14.756 891 HG13 VAL 55 HG13 VAL 55 -4.237 1.386 15.843 892 HG21 VAL 55 HG21 VAL 55 -5.899 3.010 13.704 893 HG22 VAL 55 HG22 VAL 55 -4.561 3.947 13.037 894 HG23 VAL 55 HG23 VAL 55 -4.727 3.773 14.787 895 H ASP 56 H ASP 56 -0.997 1.159 15.624 896 HA ASP 56 HA ASP 56 -0.060 -0.983 13.797 897 HB2 ASP 56 HB2 ASP 56 1.676 0.461 14.877 898 HB3 ASP 56 HB3 ASP 56 1.145 -0.101 16.456 899 H LEU 57 H LEU 57 -1.010 -2.861 14.013 900 HA LEU 57 HA LEU 57 -2.364 -3.775 16.431 901 HB2 LEU 57 HB2 LEU 57 -2.235 -5.050 13.665 902 HB3 LEU 57 HB3 LEU 57 -3.230 -5.605 14.994 903 HG LEU 57 HG LEU 57 -4.689 -4.502 13.473 904 HD11 LEU 57 HD11 LEU 57 -5.179 -4.000 15.801 905 HD12 LEU 57 HD12 LEU 57 -5.642 -2.668 14.745 906 HD13 LEU 57 HD13 LEU 57 -4.174 -2.547 15.718 907 HD21 LEU 57 HD21 LEU 57 -3.061 -3.252 12.158 908 HD22 LEU 57 HD22 LEU 57 -2.861 -2.091 13.474 909 HD23 LEU 57 HD23 LEU 57 -4.413 -2.230 12.642 910 H THR 58 H THR 58 0.732 -4.335 14.885 911 HA THR 58 HA THR 58 0.742 -7.207 15.357 912 HB THR 58 HB THR 58 1.793 -6.570 13.319 913 HG1 THR 58 HG1 THR 58 2.777 -8.294 14.512 914 HG21 THR 58 HG21 THR 58 3.777 -4.886 14.858 915 HG22 THR 58 HG22 THR 58 2.469 -4.267 13.844 916 HG23 THR 58 HG23 THR 58 3.782 -5.199 13.122 917 H THR 59 H THR 59 1.978 -4.390 17.035 918 HA THR 59 HA THR 59 3.817 -6.048 18.643 919 HB THR 59 HB THR 59 4.769 -3.948 19.500 920 HG1 THR 59 HG1 THR 59 3.397 -2.300 17.727 921 HG21 THR 59 HG21 THR 59 5.706 -4.800 17.379 922 HG22 THR 59 HG22 THR 59 5.752 -3.039 17.416 923 HG23 THR 59 HG23 THR 59 4.519 -3.870 16.464 924 H MET 60 H MET 60 0.737 -4.542 18.596 925 HA MET 60 HA MET 60 0.124 -4.567 21.385 926 HB2 MET 60 HB2 MET 60 -1.253 -3.293 19.754 927 HB3 MET 60 HB3 MET 60 -1.670 -4.780 18.917 928 HG2 MET 60 HG2 MET 60 -2.874 -5.543 20.972 929 HG3 MET 60 HG3 MET 60 -2.534 -3.977 21.709 930 HE1 MET 60 HE1 MET 60 -3.474 -4.751 17.929 931 HE2 MET 60 HE2 MET 60 -5.223 -4.535 17.974 932 HE3 MET 60 HE3 MET 60 -4.477 -5.881 18.838 933 H THR 61 H THR 61 -0.606 -6.794 18.697 934 HA THR 61 HA THR 61 -0.590 -9.127 20.490 935 HB THR 61 HB THR 61 -2.621 -10.010 19.146 936 HG1 THR 61 HG1 THR 61 -2.316 -7.882 17.749 937 HG21 THR 61 HG21 THR 61 -4.290 -8.890 20.579 938 HG22 THR 61 HG22 THR 61 -3.112 -7.644 20.998 939 HG23 THR 61 HG23 THR 61 -2.852 -9.314 21.509 940 H ALA 62 H ALA 62 0.803 -10.553 19.674 941 HA ALA 62 HA ALA 62 1.121 -10.889 16.751 942 HB1 ALA 62 HB1 ALA 62 3.406 -10.720 18.762 943 HB2 ALA 62 HB2 ALA 62 3.013 -9.522 17.528 944 HB3 ALA 62 HB3 ALA 62 3.571 -11.125 17.052 Start of MODEL 12 1 H MET 1 H MET 1 -10.876 8.790 10.223 2 HA MET 1 HA MET 1 -13.367 8.360 8.697 3 HB2 MET 1 HB2 MET 1 -12.159 10.518 8.198 4 HB3 MET 1 HB3 MET 1 -10.724 9.586 7.793 5 HG2 MET 1 HG2 MET 1 -12.057 8.474 5.971 6 HG3 MET 1 HG3 MET 1 -13.370 9.599 6.324 7 HE1 MET 1 HE1 MET 1 -11.634 12.300 6.991 8 HE2 MET 1 HE2 MET 1 -13.100 12.299 6.012 9 HE3 MET 1 HE3 MET 1 -11.628 13.053 5.396 10 H TYR 2 H TYR 2 -9.850 7.893 8.300 11 HA TYR 2 HA TYR 2 -10.018 5.006 8.369 12 HB2 TYR 2 HB2 TYR 2 -8.853 4.800 6.079 13 HB3 TYR 2 HB3 TYR 2 -10.579 5.112 6.087 14 HD1 TYR 2 HD1 TYR 2 -7.455 7.275 6.142 15 HD2 TYR 2 HD2 TYR 2 -11.264 6.507 4.383 16 HE1 TYR 2 HE1 TYR 2 -7.136 9.167 4.606 17 HE2 TYR 2 HE2 TYR 2 -10.939 8.376 2.860 18 HH TYR 2 HH TYR 2 -9.644 10.467 2.784 19 H LYS 3 H LYS 3 -7.676 4.144 7.674 20 HA LYS 3 HA LYS 3 -5.476 5.737 8.444 21 HB2 LYS 3 HB2 LYS 3 -5.027 4.490 10.679 22 HB3 LYS 3 HB3 LYS 3 -6.188 5.798 10.678 23 HG2 LYS 3 HG2 LYS 3 -7.071 4.096 12.069 24 HG3 LYS 3 HG3 LYS 3 -8.031 4.080 10.587 25 HD2 LYS 3 HD2 LYS 3 -6.940 2.079 9.807 26 HD3 LYS 3 HD3 LYS 3 -5.707 2.182 11.069 27 HE2 LYS 3 HE2 LYS 3 -7.362 0.445 11.565 28 HE3 LYS 3 HE3 LYS 3 -7.398 1.718 12.783 29 HZ1 LYS 3 HZ1 LYS 3 -9.607 1.070 12.196 30 HZ2 LYS 3 HZ2 LYS 3 -9.307 1.325 10.556 31 HZ3 LYS 3 HZ3 LYS 3 -9.344 2.639 11.618 32 H PHE 4 H PHE 4 -3.585 4.236 9.170 33 HA PHE 4 HA PHE 4 -3.289 2.154 7.121 34 HB2 PHE 4 HB2 PHE 4 -1.209 3.560 8.870 35 HB3 PHE 4 HB3 PHE 4 -0.848 2.361 7.630 36 HD1 PHE 4 HD1 PHE 4 -1.080 2.918 5.232 37 HD2 PHE 4 HD2 PHE 4 -1.798 5.862 8.254 38 HE1 PHE 4 HE1 PHE 4 -0.949 4.697 3.541 39 HE2 PHE 4 HE2 PHE 4 -1.662 7.632 6.554 40 HZ PHE 4 HZ PHE 4 -1.239 7.053 4.199 41 H GLU 5 H GLU 5 -3.784 0.174 7.816 42 HA GLU 5 HA GLU 5 -3.426 -0.610 10.628 43 HB2 GLU 5 HB2 GLU 5 -4.808 -2.053 8.314 44 HB3 GLU 5 HB3 GLU 5 -4.681 -2.686 9.955 45 HG2 GLU 5 HG2 GLU 5 -5.912 -0.670 10.773 46 HG3 GLU 5 HG3 GLU 5 -6.115 -0.159 9.101 47 H ILE 6 H ILE 6 -1.421 -1.274 11.098 48 HA ILE 6 HA ILE 6 0.261 -2.607 9.080 49 HB ILE 6 HB ILE 6 1.130 -1.510 11.788 50 HG12 ILE 6 HG12 ILE 6 1.496 -0.049 9.140 51 HG13 ILE 6 HG13 ILE 6 0.151 0.283 10.227 52 HG21 ILE 6 HG21 ILE 6 2.758 -2.257 9.325 53 HG22 ILE 6 HG22 ILE 6 2.636 -3.205 10.810 54 HG23 ILE 6 HG23 ILE 6 3.414 -1.617 10.836 55 HD11 ILE 6 HD11 ILE 6 1.920 1.882 10.514 56 HD12 ILE 6 HD12 ILE 6 3.076 0.599 10.852 57 HD13 ILE 6 HD13 ILE 6 1.748 0.914 11.976 58 H TYR 7 H TYR 7 0.373 -4.707 9.313 59 HA TYR 7 HA TYR 7 0.317 -5.991 11.954 60 HB2 TYR 7 HB2 TYR 7 -1.197 -7.773 10.979 61 HB3 TYR 7 HB3 TYR 7 -1.978 -6.206 11.157 62 HD1 TYR 7 HD1 TYR 7 -2.512 -4.824 9.169 63 HD2 TYR 7 HD2 TYR 7 -0.788 -8.712 8.699 64 HE1 TYR 7 HE1 TYR 7 -3.094 -4.799 6.797 65 HE2 TYR 7 HE2 TYR 7 -1.379 -8.666 6.309 66 HH TYR 7 HH TYR 7 -2.934 -7.562 4.819 67 H GLN 8 H GLN 8 0.907 -8.403 11.535 68 HA GLN 8 HA GLN 8 2.536 -8.753 9.089 69 HB2 GLN 8 HB2 GLN 8 4.055 -10.226 10.172 70 HB3 GLN 8 HB3 GLN 8 3.904 -8.847 11.251 71 HG2 GLN 8 HG2 GLN 8 2.191 -10.265 12.533 72 HG3 GLN 8 HG3 GLN 8 2.766 -11.616 11.576 73 HE21 GLN 8 HE21 GLN 8 5.557 -10.822 11.517 74 HE22 GLN 8 HE22 GLN 8 6.185 -11.086 13.101 75 H ASP 9 H ASP 9 2.309 -10.756 8.071 76 HA ASP 9 HA ASP 9 -0.292 -11.965 8.285 77 HB2 ASP 9 HB2 ASP 9 0.668 -11.434 6.068 78 HB3 ASP 9 HB3 ASP 9 2.068 -12.448 6.396 79 H LYS 10 H LYS 10 -0.468 -14.392 8.341 80 HA LYS 10 HA LYS 10 0.526 -15.676 10.552 81 HB2 LYS 10 HB2 LYS 10 -1.404 -16.349 9.026 82 HB3 LYS 10 HB3 LYS 10 -0.232 -17.079 7.951 83 HG2 LYS 10 HG2 LYS 10 -0.469 -17.945 10.840 84 HG3 LYS 10 HG3 LYS 10 -1.541 -18.596 9.603 85 HD2 LYS 10 HD2 LYS 10 1.492 -18.845 9.688 86 HD3 LYS 10 HD3 LYS 10 0.332 -20.124 10.050 87 HE2 LYS 10 HE2 LYS 10 -0.474 -20.010 7.683 88 HE3 LYS 10 HE3 LYS 10 0.752 -18.785 7.349 89 HZ1 LYS 10 HZ1 LYS 10 1.237 -21.594 8.161 90 HZ2 LYS 10 HZ2 LYS 10 2.442 -20.428 7.994 91 HZ3 LYS 10 HZ3 LYS 10 1.543 -20.906 6.646 92 H ALA 11 H ALA 11 1.940 -15.481 7.395 93 HA ALA 11 HA ALA 11 4.134 -17.332 7.850 94 HB1 ALA 11 HB1 ALA 11 4.911 -16.620 5.624 95 HB2 ALA 11 HB2 ALA 11 3.709 -15.325 5.615 96 HB3 ALA 11 HB3 ALA 11 3.187 -17.010 5.604 97 H GLY 12 H GLY 12 3.686 -14.678 9.444 98 HA2 GLY 12 HA2 GLY 12 4.932 -13.241 10.683 99 HA3 GLY 12 HA3 GLY 12 6.369 -14.044 10.081 100 H GLU 13 H GLU 13 4.019 -12.602 7.899 101 HA GLU 13 HA GLU 13 6.260 -11.001 6.790 102 HB2 GLU 13 HB2 GLU 13 3.658 -11.912 5.487 103 HB3 GLU 13 HB3 GLU 13 4.856 -10.885 4.704 104 HG2 GLU 13 HG2 GLU 13 6.545 -12.755 5.101 105 HG3 GLU 13 HG3 GLU 13 5.177 -13.764 5.572 106 H TYR 14 H TYR 14 6.221 -9.146 8.017 107 HA TYR 14 HA TYR 14 4.088 -7.534 8.666 108 HB2 TYR 14 HB2 TYR 14 6.960 -6.765 8.032 109 HB3 TYR 14 HB3 TYR 14 5.767 -5.586 8.588 110 HD1 TYR 14 HD1 TYR 14 4.605 -5.959 10.816 111 HD2 TYR 14 HD2 TYR 14 8.025 -8.243 9.652 112 HE1 TYR 14 HE1 TYR 14 4.915 -6.684 13.141 113 HE2 TYR 14 HE2 TYR 14 8.334 -8.953 11.981 114 HH TYR 14 HH TYR 14 5.938 -8.527 14.365 115 H ARG 15 H ARG 15 2.786 -6.363 7.692 116 HA ARG 15 HA ARG 15 3.017 -5.291 4.986 117 HB2 ARG 15 HB2 ARG 15 0.854 -7.273 5.845 118 HB3 ARG 15 HB3 ARG 15 0.760 -6.302 4.380 119 HG2 ARG 15 HG2 ARG 15 2.516 -7.486 3.328 120 HG3 ARG 15 HG3 ARG 15 3.074 -8.197 4.846 121 HD2 ARG 15 HD2 ARG 15 1.260 -9.702 4.933 122 HD3 ARG 15 HD3 ARG 15 0.334 -8.795 3.740 123 HE ARG 15 HE ARG 15 2.795 -10.328 3.101 124 HH11 ARG 15 HH11 ARG 15 -0.419 -9.241 2.215 125 HH12 ARG 15 HH12 ARG 15 -0.430 -10.107 0.713 126 HH21 ARG 15 HH21 ARG 15 2.768 -11.465 1.111 127 HH22 ARG 15 HH22 ARG 15 1.369 -11.369 0.093 128 H PHE 16 H PHE 16 1.947 -3.349 4.887 129 HA PHE 16 HA PHE 16 -0.064 -2.737 6.968 130 HB2 PHE 16 HB2 PHE 16 0.501 -0.333 6.712 131 HB3 PHE 16 HB3 PHE 16 1.855 -1.270 7.306 132 HD1 PHE 16 HD1 PHE 16 0.562 0.689 4.439 133 HD2 PHE 16 HD2 PHE 16 3.909 -1.487 5.987 134 HE1 PHE 16 HE1 PHE 16 2.011 1.684 2.719 135 HE2 PHE 16 HE2 PHE 16 5.346 -0.482 4.262 136 HZ PHE 16 HZ PHE 16 4.400 1.101 2.630 137 H ARG 17 H ARG 17 -2.020 -2.245 6.262 138 HA ARG 17 HA ARG 17 -2.460 -1.823 3.375 139 HB2 ARG 17 HB2 ARG 17 -4.732 -2.660 3.719 140 HB3 ARG 17 HB3 ARG 17 -3.543 -3.849 4.223 141 HG2 ARG 17 HG2 ARG 17 -3.982 -3.238 6.600 142 HG3 ARG 17 HG3 ARG 17 -5.230 -2.108 6.053 143 HD2 ARG 17 HD2 ARG 17 -6.536 -3.913 5.111 144 HD3 ARG 17 HD3 ARG 17 -5.240 -5.077 5.399 145 HE ARG 17 HE ARG 17 -6.247 -3.796 7.779 146 HH11 ARG 17 HH11 ARG 17 -6.672 -6.515 5.588 147 HH12 ARG 17 HH12 ARG 17 -7.511 -7.477 6.761 148 HH21 ARG 17 HH21 ARG 17 -7.356 -5.055 9.290 149 HH22 ARG 17 HH22 ARG 17 -7.906 -6.648 8.860 150 H PHE 18 H PHE 18 -4.233 -0.382 2.844 151 HA PHE 18 HA PHE 18 -4.594 1.790 4.860 152 HB2 PHE 18 HB2 PHE 18 -3.162 2.500 2.904 153 HB3 PHE 18 HB3 PHE 18 -4.513 2.160 1.835 154 HD1 PHE 18 HD1 PHE 18 -4.570 3.857 5.181 155 HD2 PHE 18 HD2 PHE 18 -5.002 4.283 0.955 156 HE1 PHE 18 HE1 PHE 18 -5.272 6.191 5.476 157 HE2 PHE 18 HE2 PHE 18 -5.693 6.621 1.253 158 HZ PHE 18 HZ PHE 18 -5.835 7.569 3.517 159 H LYS 19 H LYS 19 -6.588 2.371 5.260 160 HA LYS 19 HA LYS 19 -8.777 0.717 4.172 161 HB2 LYS 19 HB2 LYS 19 -8.577 2.472 6.673 162 HB3 LYS 19 HB3 LYS 19 -9.948 1.441 6.247 163 HG2 LYS 19 HG2 LYS 19 -7.119 0.476 6.821 164 HG3 LYS 19 HG3 LYS 19 -8.492 0.370 7.933 165 HD2 LYS 19 HD2 LYS 19 -8.422 -0.954 5.180 166 HD3 LYS 19 HD3 LYS 19 -7.984 -1.783 6.675 167 HE2 LYS 19 HE2 LYS 19 -10.692 -0.465 6.289 168 HE3 LYS 19 HE3 LYS 19 -10.381 -2.128 5.820 169 HZ1 LYS 19 HZ1 LYS 19 -10.060 -0.999 8.542 170 HZ2 LYS 19 HZ2 LYS 19 -9.735 -2.597 8.108 171 HZ3 LYS 19 HZ3 LYS 19 -11.315 -2.006 8.029 172 H ALA 20 H ALA 20 -10.937 2.051 4.499 173 HA ALA 20 HA ALA 20 -10.780 4.755 3.360 174 HB1 ALA 20 HB1 ALA 20 -11.111 3.209 1.445 175 HB2 ALA 20 HB2 ALA 20 -12.504 4.260 1.694 176 HB3 ALA 20 HB3 ALA 20 -12.561 2.582 2.221 177 H SER 21 H SER 21 -12.909 5.888 3.589 178 HA SER 21 HA SER 21 -13.924 5.850 6.162 179 HB2 SER 21 HB2 SER 21 -15.710 7.368 5.268 180 HB3 SER 21 HB3 SER 21 -14.093 7.801 4.704 181 HG SER 21 HG SER 21 -16.234 6.647 3.294 182 H ASN 22 H ASN 22 -15.004 4.005 3.386 183 HA ASN 22 HA ASN 22 -17.516 3.091 4.457 184 HB2 ASN 22 HB2 ASN 22 -17.037 3.227 2.019 185 HB3 ASN 22 HB3 ASN 22 -15.795 1.997 2.186 186 HD21 ASN 22 HD21 ASN 22 -16.789 0.633 0.693 187 HD22 ASN 22 HD22 ASN 22 -18.250 -0.223 1.043 188 H GLY 23 H GLY 23 -14.394 2.392 5.364 189 HA2 GLY 23 HA2 GLY 23 -13.362 0.776 6.613 190 HA3 GLY 23 HA3 GLY 23 -14.926 0.024 6.866 191 H GLU 24 H GLU 24 -13.153 0.710 3.908 192 HA GLU 24 HA GLU 24 -13.055 -2.173 3.230 193 HB2 GLU 24 HB2 GLU 24 -13.467 -1.599 0.874 194 HB3 GLU 24 HB3 GLU 24 -14.782 -0.975 1.867 195 HG2 GLU 24 HG2 GLU 24 -13.738 1.272 1.792 196 HG3 GLU 24 HG3 GLU 24 -12.469 0.642 0.749 197 H THR 25 H THR 25 -11.090 -2.886 2.523 198 HA THR 25 HA THR 25 -8.807 -1.054 2.609 199 HB THR 25 HB THR 25 -8.926 -4.068 2.225 200 HG1 THR 25 HG1 THR 25 -9.503 -3.697 4.277 201 HG21 THR 25 HG21 THR 25 -6.845 -3.154 1.253 202 HG22 THR 25 HG22 THR 25 -6.501 -4.063 2.723 203 HG23 THR 25 HG23 THR 25 -6.517 -2.300 2.764 204 H MET 26 H MET 26 -7.594 -0.520 0.911 205 HA MET 26 HA MET 26 -8.533 -1.247 -1.810 206 HB2 MET 26 HB2 MET 26 -7.539 1.161 -2.346 207 HB3 MET 26 HB3 MET 26 -9.175 0.953 -1.754 208 HG2 MET 26 HG2 MET 26 -8.065 2.813 -0.646 209 HG3 MET 26 HG3 MET 26 -8.448 1.546 0.514 210 HE1 MET 26 HE1 MET 26 -5.779 3.438 -1.436 211 HE2 MET 26 HE2 MET 26 -5.515 1.823 -2.101 212 HE3 MET 26 HE3 MET 26 -4.297 2.564 -1.066 213 H PHE 27 H PHE 27 -5.743 -1.215 0.276 214 HA PHE 27 HA PHE 27 -4.631 -3.085 -1.598 215 HB2 PHE 27 HB2 PHE 27 -2.545 -2.147 -2.170 216 HB3 PHE 27 HB3 PHE 27 -3.648 -0.796 -2.370 217 HD1 PHE 27 HD1 PHE 27 -3.739 0.924 -0.489 218 HD2 PHE 27 HD2 PHE 27 -0.633 -1.947 -0.731 219 HE1 PHE 27 HE1 PHE 27 -2.375 2.327 0.974 220 HE2 PHE 27 HE2 PHE 27 0.745 -0.553 0.758 221 HZ PHE 27 HZ PHE 27 -0.114 1.578 1.622 222 H SER 28 H SER 28 -2.923 -4.244 -0.829 223 HA SER 28 HA SER 28 -2.201 -4.123 2.051 224 HB2 SER 28 HB2 SER 28 -3.581 -6.161 1.590 225 HB3 SER 28 HB3 SER 28 -2.456 -6.630 0.316 226 HG SER 28 HG SER 28 -1.961 -6.471 3.104 227 H SER 29 H SER 29 0.133 -4.066 2.378 228 HA SER 29 HA SER 29 1.587 -3.615 -0.158 229 HB2 SER 29 HB2 SER 29 3.171 -2.278 1.129 230 HB3 SER 29 HB3 SER 29 1.533 -1.726 1.471 231 HG SER 29 HG SER 29 1.888 -2.153 3.467 232 H GLU 30 H GLU 30 3.955 -3.982 0.072 233 HA GLU 30 HA GLU 30 4.786 -6.607 0.661 234 HB2 GLU 30 HB2 GLU 30 5.835 -5.193 -1.026 235 HB3 GLU 30 HB3 GLU 30 6.220 -3.964 0.170 236 HG2 GLU 30 HG2 GLU 30 7.836 -5.524 1.211 237 HG3 GLU 30 HG3 GLU 30 7.474 -6.704 -0.058 238 H GLY 31 H GLY 31 4.514 -3.684 2.594 239 HA2 GLY 31 HA2 GLY 31 4.912 -3.211 4.794 240 HA3 GLY 31 HA3 GLY 31 5.444 -4.862 5.036 241 H TYR 32 H TYR 32 7.323 -4.189 2.647 242 HA TYR 32 HA TYR 32 9.238 -3.199 2.039 243 HB2 TYR 32 HB2 TYR 32 8.469 -1.098 3.239 244 HB3 TYR 32 HB3 TYR 32 9.283 -1.687 4.684 245 HD1 TYR 32 HD1 TYR 32 10.138 -1.304 1.037 246 HD2 TYR 32 HD2 TYR 32 11.364 -0.630 5.078 247 HE1 TYR 32 HE1 TYR 32 12.203 -0.260 0.234 248 HE2 TYR 32 HE2 TYR 32 13.436 0.419 4.268 249 HH TYR 32 HH TYR 32 13.892 1.293 0.991 250 H LYS 33 H LYS 33 9.363 -3.842 5.582 251 HA LYS 33 HA LYS 33 11.176 -6.082 5.198 252 HB2 LYS 33 HB2 LYS 33 12.776 -4.198 5.135 253 HB3 LYS 33 HB3 LYS 33 12.144 -3.579 6.651 254 HG2 LYS 33 HG2 LYS 33 14.258 -4.694 7.054 255 HG3 LYS 33 HG3 LYS 33 12.962 -5.602 7.830 256 HD2 LYS 33 HD2 LYS 33 14.518 -7.151 6.769 257 HD3 LYS 33 HD3 LYS 33 12.970 -7.205 5.923 258 HE2 LYS 33 HE2 LYS 33 13.884 -5.724 4.170 259 HE3 LYS 33 HE3 LYS 33 15.439 -5.687 5.008 260 HZ1 LYS 33 HZ1 LYS 33 15.454 -7.275 3.206 261 HZ2 LYS 33 HZ2 LYS 33 14.127 -8.096 3.861 262 HZ3 LYS 33 HZ3 LYS 33 15.604 -8.083 4.682 263 H ALA 34 H ALA 34 10.332 -3.825 7.840 264 HA ALA 34 HA ALA 34 9.383 -6.057 9.532 265 HB1 ALA 34 HB1 ALA 34 10.718 -5.183 11.420 266 HB2 ALA 34 HB2 ALA 34 11.401 -3.934 10.374 267 HB3 ALA 34 HB3 ALA 34 11.771 -5.633 10.074 268 H LYS 35 H LYS 35 8.660 -4.657 11.839 269 HA LYS 35 HA LYS 35 6.380 -3.200 10.964 270 HB2 LYS 35 HB2 LYS 35 5.806 -2.978 13.314 271 HB3 LYS 35 HB3 LYS 35 6.380 -4.601 13.023 272 HG2 LYS 35 HG2 LYS 35 7.519 -4.269 14.971 273 HG3 LYS 35 HG3 LYS 35 8.692 -3.495 13.915 274 HD2 LYS 35 HD2 LYS 35 8.274 -2.112 15.902 275 HD3 LYS 35 HD3 LYS 35 7.733 -1.279 14.446 276 HE2 LYS 35 HE2 LYS 35 5.400 -1.839 14.952 277 HE3 LYS 35 HE3 LYS 35 5.899 -2.785 16.357 278 HZ1 LYS 35 HZ1 LYS 35 6.704 -0.784 17.400 279 HZ2 LYS 35 HZ2 LYS 35 5.098 -0.554 16.927 280 HZ3 LYS 35 HZ3 LYS 35 6.351 0.131 16.021 281 H ALA 36 H ALA 36 9.425 -2.265 12.598 282 HA ALA 36 HA ALA 36 8.915 0.489 12.825 283 HB1 ALA 36 HB1 ALA 36 11.605 -0.904 12.582 284 HB2 ALA 36 HB2 ALA 36 10.708 -0.630 14.079 285 HB3 ALA 36 HB3 ALA 36 11.342 0.741 13.167 286 H SER 37 H SER 37 10.347 -1.430 10.242 287 HA SER 37 HA SER 37 11.131 0.723 8.536 288 HB2 SER 37 HB2 SER 37 10.521 -2.134 7.691 289 HB3 SER 37 HB3 SER 37 11.652 -0.999 6.948 290 HG SER 37 HG SER 37 13.091 -1.413 8.476 291 H ALA 38 H ALA 38 8.191 -1.134 9.024 292 HA ALA 38 HA ALA 38 6.804 -0.349 6.656 293 HB1 ALA 38 HB1 ALA 38 5.672 -1.369 9.285 294 HB2 ALA 38 HB2 ALA 38 6.128 -2.356 7.895 295 HB3 ALA 38 HB3 ALA 38 4.784 -1.221 7.765 296 H ILE 39 H ILE 39 6.734 0.863 10.079 297 HA ILE 39 HA ILE 39 5.098 3.068 9.754 298 HB ILE 39 HB ILE 39 7.387 2.461 11.651 299 HG12 ILE 39 HG12 ILE 39 5.485 2.919 13.379 300 HG13 ILE 39 HG13 ILE 39 4.391 2.943 12.000 301 HG21 ILE 39 HG21 ILE 39 7.068 4.600 12.882 302 HG22 ILE 39 HG22 ILE 39 6.043 5.181 11.567 303 HG23 ILE 39 HG23 ILE 39 7.746 4.837 11.269 304 HD11 ILE 39 HD11 ILE 39 4.342 0.822 13.122 305 HD12 ILE 39 HD12 ILE 39 6.082 0.628 12.920 306 HD13 ILE 39 HD13 ILE 39 5.022 0.621 11.507 307 H HIS 40 H HIS 40 8.634 2.821 9.208 308 HA HIS 40 HA HIS 40 9.169 5.515 8.609 309 HB2 HIS 40 HB2 HIS 40 10.611 3.025 7.593 310 HB3 HIS 40 HB3 HIS 40 11.238 4.667 7.459 311 HD1 HIS 40 HD1 HIS 40 12.897 2.620 8.894 312 HD2 HIS 40 HD2 HIS 40 10.114 4.991 10.856 313 HE1 HIS 40 HE1 HIS 40 13.599 2.636 11.294 314 HE2 HIS 40 HE2 HIS 40 11.829 3.965 12.482 315 H ALA 41 H ALA 41 8.168 2.815 6.537 316 HA ALA 41 HA ALA 41 8.216 4.091 4.039 317 HB1 ALA 41 HB1 ALA 41 6.676 2.283 3.343 318 HB2 ALA 41 HB2 ALA 41 6.396 1.860 5.035 319 HB3 ALA 41 HB3 ALA 41 7.995 1.642 4.327 320 H ILE 42 H ILE 42 5.580 3.628 6.399 321 HA ILE 42 HA ILE 42 3.638 5.144 5.068 322 HB ILE 42 HB ILE 42 3.893 4.472 8.014 323 HG12 ILE 42 HG12 ILE 42 2.115 3.230 5.856 324 HG13 ILE 42 HG13 ILE 42 3.685 2.574 6.315 325 HG21 ILE 42 HG21 ILE 42 1.466 5.006 8.204 326 HG22 ILE 42 HG22 ILE 42 1.473 5.598 6.541 327 HG23 ILE 42 HG23 ILE 42 2.415 6.433 7.779 328 HD11 ILE 42 HD11 ILE 42 1.329 2.888 8.144 329 HD12 ILE 42 HD12 ILE 42 2.894 2.166 8.540 330 HD13 ILE 42 HD13 ILE 42 1.844 1.404 7.347 331 H GLU 43 H GLU 43 6.347 6.194 6.989 332 HA GLU 43 HA GLU 43 5.368 8.784 7.667 333 HB2 GLU 43 HB2 GLU 43 8.208 7.714 7.532 334 HB3 GLU 43 HB3 GLU 43 7.827 9.361 8.039 335 HG2 GLU 43 HG2 GLU 43 6.412 8.421 9.873 336 HG3 GLU 43 HG3 GLU 43 6.926 6.805 9.403 337 H SER 44 H SER 44 7.084 7.455 4.844 338 HA SER 44 HA SER 44 7.409 9.829 3.360 339 HB2 SER 44 HB2 SER 44 6.963 6.950 2.599 340 HB3 SER 44 HB3 SER 44 6.908 8.169 1.329 341 HG SER 44 HG SER 44 9.016 8.567 1.630 342 H ILE 45 H ILE 45 4.527 7.838 3.896 343 HA ILE 45 HA ILE 45 2.943 8.999 1.827 344 HB ILE 45 HB ILE 45 1.578 7.752 4.270 345 HG12 ILE 45 HG12 ILE 45 3.492 6.200 3.653 346 HG13 ILE 45 HG13 ILE 45 1.900 5.482 3.446 347 HG21 ILE 45 HG21 ILE 45 1.050 7.672 1.276 348 HG22 ILE 45 HG22 ILE 45 0.199 8.668 2.467 349 HG23 ILE 45 HG23 ILE 45 0.029 6.912 2.515 350 HD11 ILE 45 HD11 ILE 45 3.688 6.560 1.283 351 HD12 ILE 45 HD12 ILE 45 2.075 5.878 1.035 352 HD13 ILE 45 HD13 ILE 45 3.373 4.869 1.662 353 H LYS 46 H LYS 46 3.375 9.603 5.309 354 HA LYS 46 HA LYS 46 1.362 11.479 5.721 355 HB2 LYS 46 HB2 LYS 46 3.991 11.428 7.250 356 HB3 LYS 46 HB3 LYS 46 2.421 11.989 7.820 357 HG2 LYS 46 HG2 LYS 46 3.364 9.143 7.405 358 HG3 LYS 46 HG3 LYS 46 2.793 9.907 8.890 359 HD2 LYS 46 HD2 LYS 46 1.115 9.194 6.444 360 HD3 LYS 46 HD3 LYS 46 1.101 8.360 8.001 361 HE2 LYS 46 HE2 LYS 46 0.370 11.291 7.742 362 HE3 LYS 46 HE3 LYS 46 -0.794 10.004 7.531 363 HZ1 LYS 46 HZ1 LYS 46 0.819 10.513 9.966 364 HZ2 LYS 46 HZ2 LYS 46 -0.281 9.241 9.772 365 HZ3 LYS 46 HZ3 LYS 46 -0.831 10.836 9.774 366 H ARG 47 H ARG 47 4.266 11.883 4.064 367 HA ARG 47 HA ARG 47 4.838 14.622 4.709 368 HB2 ARG 47 HB2 ARG 47 5.897 12.911 2.432 369 HB3 ARG 47 HB3 ARG 47 6.524 14.495 2.876 370 HG2 ARG 47 HG2 ARG 47 6.593 12.001 4.586 371 HG3 ARG 47 HG3 ARG 47 7.953 12.705 3.713 372 HD2 ARG 47 HD2 ARG 47 6.431 14.092 5.940 373 HD3 ARG 47 HD3 ARG 47 7.944 13.211 6.153 374 HE ARG 47 HE ARG 47 8.078 15.318 4.181 375 HH11 ARG 47 HH11 ARG 47 8.416 14.619 7.621 376 HH12 ARG 47 HH12 ARG 47 9.430 15.995 7.906 377 HH21 ARG 47 HH21 ARG 47 9.412 17.108 4.602 378 HH22 ARG 47 HH22 ARG 47 9.996 17.385 6.211 379 H ASN 48 H ASN 48 3.498 13.079 1.766 380 HA ASN 48 HA ASN 48 2.021 15.399 0.935 381 HB2 ASN 48 HB2 ASN 48 4.375 16.221 0.539 382 HB3 ASN 48 HB3 ASN 48 4.611 14.927 -0.620 383 HD21 ASN 48 HD21 ASN 48 3.707 15.113 -2.662 384 HD22 ASN 48 HD22 ASN 48 3.027 16.579 -3.259 385 H SER 49 H SER 49 1.939 12.317 1.018 386 HA SER 49 HA SER 49 1.929 11.272 -1.611 387 HB2 SER 49 HB2 SER 49 2.024 9.999 0.578 388 HB3 SER 49 HB3 SER 49 0.279 10.199 0.686 389 HG SER 49 HG SER 49 1.776 8.814 -1.265 390 H ALA 50 H ALA 50 -0.700 12.657 0.347 391 HA ALA 50 HA ALA 50 -2.844 12.187 -1.393 392 HB1 ALA 50 HB1 ALA 50 -4.023 13.919 -0.117 393 HB2 ALA 50 HB2 ALA 50 -2.492 14.461 0.578 394 HB3 ALA 50 HB3 ALA 50 -3.108 12.852 0.954 395 H GLY 51 H GLY 51 -0.288 14.540 -1.612 396 HA2 GLY 51 HA2 GLY 51 -1.572 15.863 -3.942 397 HA3 GLY 51 HA3 GLY 51 -0.249 16.516 -2.991 398 H ALA 52 H ALA 52 0.671 13.440 -3.258 399 HA ALA 52 HA ALA 52 2.738 13.863 -5.130 400 HB1 ALA 52 HB1 ALA 52 1.654 11.239 -4.021 401 HB2 ALA 52 HB2 ALA 52 2.902 12.250 -3.275 402 HB3 ALA 52 HB3 ALA 52 3.222 11.459 -4.819 403 H ASP 53 H ASP 53 2.965 13.279 -7.284 404 HA ASP 53 HA ASP 53 0.621 13.109 -8.883 405 HB2 ASP 53 HB2 ASP 53 2.710 14.251 -9.611 406 HB3 ASP 53 HB3 ASP 53 3.539 12.697 -9.663 407 H THR 54 H THR 54 -0.075 11.383 -10.239 408 HA THR 54 HA THR 54 0.721 8.654 -9.384 409 HB THR 54 HB THR 54 -1.974 9.574 -10.478 410 HG1 THR 54 HG1 THR 54 -2.597 9.081 -8.211 411 HG21 THR 54 HG21 THR 54 -1.130 6.894 -9.310 412 HG22 THR 54 HG22 THR 54 -1.597 7.203 -10.982 413 HG23 THR 54 HG23 THR 54 -2.798 7.346 -9.690 414 H VAL 55 H VAL 55 1.739 7.472 -10.918 415 HA VAL 55 HA VAL 55 1.518 8.168 -13.794 416 HB VAL 55 HB VAL 55 4.084 7.377 -12.329 417 HG11 VAL 55 HG11 VAL 55 5.256 7.994 -14.412 418 HG12 VAL 55 HG12 VAL 55 3.706 8.343 -15.186 419 HG13 VAL 55 HG13 VAL 55 4.092 6.696 -14.680 420 HG21 VAL 55 HG21 VAL 55 3.291 10.153 -13.270 421 HG22 VAL 55 HG22 VAL 55 4.871 9.696 -12.624 422 HG23 VAL 55 HG23 VAL 55 3.441 9.614 -11.594 423 H ASP 56 H ASP 56 0.885 6.320 -14.932 424 HA ASP 56 HA ASP 56 1.663 3.681 -13.849 425 HB2 ASP 56 HB2 ASP 56 -0.047 2.657 -15.214 426 HB3 ASP 56 HB3 ASP 56 -0.757 3.995 -14.324 427 H LEU 57 H LEU 57 3.552 3.086 -14.502 428 HA LEU 57 HA LEU 57 4.851 3.749 -16.957 429 HB2 LEU 57 HB2 LEU 57 5.523 1.743 -14.767 430 HB3 LEU 57 HB3 LEU 57 6.563 2.044 -16.140 431 HG LEU 57 HG LEU 57 7.439 3.188 -14.184 432 HD11 LEU 57 HD11 LEU 57 7.795 4.266 -16.331 433 HD12 LEU 57 HD12 LEU 57 7.651 5.459 -15.041 434 HD13 LEU 57 HD13 LEU 57 6.299 5.183 -16.144 435 HD21 LEU 57 HD21 LEU 57 5.383 3.471 -12.891 436 HD22 LEU 57 HD22 LEU 57 4.816 4.700 -14.024 437 HD23 LEU 57 HD23 LEU 57 6.249 5.000 -13.036 438 H THR 58 H THR 58 2.533 1.324 -16.153 439 HA THR 58 HA THR 58 3.623 -0.749 -17.921 440 HB THR 58 HB THR 58 2.727 -1.485 -15.771 441 HG1 THR 58 HG1 THR 58 2.411 -2.718 -17.852 442 HG21 THR 58 HG21 THR 58 0.340 -1.407 -15.222 443 HG22 THR 58 HG22 THR 58 0.006 -0.494 -16.696 444 HG23 THR 58 HG23 THR 58 0.974 0.231 -15.407 445 H THR 59 H THR 59 1.667 1.952 -18.286 446 HA THR 59 HA THR 59 -0.284 2.505 -19.366 447 HB THR 59 HB THR 59 0.265 2.666 -21.809 448 HG1 THR 59 HG1 THR 59 1.775 0.544 -21.286 449 HG21 THR 59 HG21 THR 59 1.163 4.347 -20.235 450 HG22 THR 59 HG22 THR 59 2.317 4.023 -21.529 451 HG23 THR 59 HG23 THR 59 2.568 3.320 -19.930 452 H MET 60 H MET 60 -0.767 -0.234 -18.504 453 HA MET 60 HA MET 60 -2.150 -1.566 -20.696 454 HB2 MET 60 HB2 MET 60 -2.014 -2.122 -17.702 455 HB3 MET 60 HB3 MET 60 -2.942 -3.112 -18.822 456 HG2 MET 60 HG2 MET 60 0.047 -2.678 -19.034 457 HG3 MET 60 HG3 MET 60 -0.698 -4.049 -18.217 458 HE1 MET 60 HE1 MET 60 -2.374 -5.992 -21.174 459 HE2 MET 60 HE2 MET 60 -3.157 -4.808 -20.127 460 HE3 MET 60 HE3 MET 60 -2.025 -5.979 -19.445 461 H THR 61 H THR 61 -4.335 -1.514 -21.087 462 HA THR 61 HA THR 61 -5.953 0.584 -20.001 463 HB THR 61 HB THR 61 -6.642 -1.689 -21.855 464 HG1 THR 61 HG1 THR 61 -5.637 0.909 -22.211 465 HG21 THR 61 HG21 THR 61 -8.613 -0.364 -22.544 466 HG22 THR 61 HG22 THR 61 -8.249 0.827 -21.295 467 HG23 THR 61 HG23 THR 61 -8.714 -0.813 -20.841 468 H ALA 62 H ALA 62 -5.698 -2.893 -19.524 469 HA ALA 62 HA ALA 62 -8.086 -3.197 -17.941 470 HB1 ALA 62 HB1 ALA 62 -7.236 -5.041 -19.317 471 HB2 ALA 62 HB2 ALA 62 -7.286 -5.518 -17.619 472 HB3 ALA 62 HB3 ALA 62 -5.745 -5.092 -18.373 473 H MET 1 H MET 1 9.209 17.242 -7.587 474 HA MET 1 HA MET 1 9.143 15.744 -5.689 475 HB2 MET 1 HB2 MET 1 7.194 17.235 -6.265 476 HB3 MET 1 HB3 MET 1 6.498 15.934 -7.215 477 HG2 MET 1 HG2 MET 1 6.326 14.576 -5.117 478 HG3 MET 1 HG3 MET 1 6.875 15.991 -4.215 479 HE1 MET 1 HE1 MET 1 5.451 18.415 -5.749 480 HE2 MET 1 HE2 MET 1 5.472 18.265 -3.990 481 HE3 MET 1 HE3 MET 1 3.949 18.553 -4.836 482 H TYR 2 H TYR 2 8.405 13.661 -4.841 483 HA TYR 2 HA TYR 2 8.722 11.400 -6.546 484 HB2 TYR 2 HB2 TYR 2 7.886 10.092 -4.524 485 HB3 TYR 2 HB3 TYR 2 9.346 11.040 -4.312 486 HD1 TYR 2 HD1 TYR 2 5.657 11.916 -3.990 487 HD2 TYR 2 HD2 TYR 2 9.494 11.762 -2.124 488 HE1 TYR 2 HE1 TYR 2 4.717 12.920 -1.952 489 HE2 TYR 2 HE2 TYR 2 8.563 12.750 -0.111 490 HH TYR 2 HH TYR 2 6.623 14.172 0.498 491 H LYS 3 H LYS 3 6.960 9.589 -6.386 492 HA LYS 3 HA LYS 3 4.264 10.377 -6.727 493 HB2 LYS 3 HB2 LYS 3 4.185 9.856 -9.265 494 HB3 LYS 3 HB3 LYS 3 4.790 11.424 -8.771 495 HG2 LYS 3 HG2 LYS 3 6.177 10.712 -10.546 496 HG3 LYS 3 HG3 LYS 3 7.139 10.517 -9.082 497 HD2 LYS 3 HD2 LYS 3 6.816 8.121 -9.112 498 HD3 LYS 3 HD3 LYS 3 5.615 8.245 -10.400 499 HE2 LYS 3 HE2 LYS 3 7.741 7.452 -11.284 500 HE3 LYS 3 HE3 LYS 3 7.367 9.040 -11.947 501 HZ1 LYS 3 HZ1 LYS 3 9.252 8.477 -9.728 502 HZ2 LYS 3 HZ2 LYS 3 8.903 10.011 -10.352 503 HZ3 LYS 3 HZ3 LYS 3 9.674 8.859 -11.319 504 H PHE 4 H PHE 4 3.051 8.589 -8.002 505 HA PHE 4 HA PHE 4 3.720 6.013 -6.771 506 HB2 PHE 4 HB2 PHE 4 1.174 6.975 -8.169 507 HB3 PHE 4 HB3 PHE 4 1.366 5.422 -7.363 508 HD1 PHE 4 HD1 PHE 4 1.603 5.335 -4.878 509 HD2 PHE 4 HD2 PHE 4 0.643 9.002 -6.891 510 HE1 PHE 4 HE1 PHE 4 0.810 6.311 -2.767 511 HE2 PHE 4 HE2 PHE 4 -0.127 9.950 -4.771 512 HZ PHE 4 HZ PHE 4 -0.054 8.612 -2.719 513 H GLU 5 H GLU 5 4.923 4.733 -8.047 514 HA GLU 5 HA GLU 5 4.714 4.812 -10.976 515 HB2 GLU 5 HB2 GLU 5 6.679 3.420 -9.105 516 HB3 GLU 5 HB3 GLU 5 6.677 3.171 -10.847 517 HG2 GLU 5 HG2 GLU 5 7.159 5.531 -11.213 518 HG3 GLU 5 HG3 GLU 5 7.067 5.839 -9.478 519 H ILE 6 H ILE 6 3.068 3.625 -11.760 520 HA ILE 6 HA ILE 6 2.179 1.162 -10.409 521 HB ILE 6 HB ILE 6 0.781 2.653 -12.673 522 HG12 ILE 6 HG12 ILE 6 0.014 2.935 -9.745 523 HG13 ILE 6 HG13 ILE 6 1.142 4.048 -10.515 524 HG21 ILE 6 HG21 ILE 6 -1.220 1.377 -11.957 525 HG22 ILE 6 HG22 ILE 6 -0.274 0.600 -10.687 526 HG23 ILE 6 HG23 ILE 6 0.109 0.286 -12.384 527 HD11 ILE 6 HD11 ILE 6 -1.070 4.962 -10.474 528 HD12 ILE 6 HD12 ILE 6 -1.708 3.555 -11.312 529 HD13 ILE 6 HD13 ILE 6 -0.593 4.643 -12.142 530 H TYR 7 H TYR 7 2.888 -0.619 -11.312 531 HA TYR 7 HA TYR 7 3.241 -0.860 -14.210 532 HB2 TYR 7 HB2 TYR 7 5.390 -2.116 -13.796 533 HB3 TYR 7 HB3 TYR 7 5.493 -0.400 -13.407 534 HD1 TYR 7 HD1 TYR 7 5.454 0.315 -10.975 535 HD2 TYR 7 HD2 TYR 7 5.796 -3.799 -12.072 536 HE1 TYR 7 HE1 TYR 7 6.278 -0.207 -8.727 537 HE2 TYR 7 HE2 TYR 7 6.629 -4.326 -9.808 538 HH TYR 7 HH TYR 7 6.379 -2.198 -7.203 539 H GLN 8 H GLN 8 3.676 -3.308 -14.634 540 HA GLN 8 HA GLN 8 2.476 -5.024 -12.546 541 HB2 GLN 8 HB2 GLN 8 1.530 -6.502 -14.138 542 HB3 GLN 8 HB3 GLN 8 1.107 -4.895 -14.716 543 HG2 GLN 8 HG2 GLN 8 3.183 -5.132 -16.244 544 HG3 GLN 8 HG3 GLN 8 3.118 -6.837 -15.831 545 HE21 GLN 8 HE21 GLN 8 0.190 -6.976 -15.721 546 HE22 GLN 8 HE22 GLN 8 -0.362 -6.889 -17.353 547 H ASP 9 H ASP 9 3.525 -6.997 -12.229 548 HA ASP 9 HA ASP 9 6.374 -6.978 -12.640 549 HB2 ASP 9 HB2 ASP 9 5.413 -7.622 -10.454 550 HB3 ASP 9 HB3 ASP 9 4.497 -8.917 -11.206 551 H LYS 10 H LYS 10 7.461 -8.983 -13.465 552 HA LYS 10 HA LYS 10 6.881 -9.747 -16.033 553 HB2 LYS 10 HB2 LYS 10 9.043 -10.065 -14.750 554 HB3 LYS 10 HB3 LYS 10 8.341 -11.486 -13.995 555 HG2 LYS 10 HG2 LYS 10 8.499 -11.317 -17.008 556 HG3 LYS 10 HG3 LYS 10 9.950 -11.705 -16.083 557 HD2 LYS 10 HD2 LYS 10 8.889 -13.689 -15.154 558 HD3 LYS 10 HD3 LYS 10 7.348 -13.277 -15.910 559 HE2 LYS 10 HE2 LYS 10 8.504 -15.043 -17.162 560 HE3 LYS 10 HE3 LYS 10 8.353 -13.582 -18.138 561 HZ1 LYS 10 HZ1 LYS 10 10.647 -13.040 -17.613 562 HZ2 LYS 10 HZ2 LYS 10 10.544 -14.564 -18.332 563 HZ3 LYS 10 HZ3 LYS 10 10.786 -14.433 -16.664 564 H ALA 11 H ALA 11 5.753 -11.176 -13.089 565 HA ALA 11 HA ALA 11 4.397 -13.457 -14.269 566 HB1 ALA 11 HB1 ALA 11 4.158 -12.280 -11.486 567 HB2 ALA 11 HB2 ALA 11 5.290 -13.538 -11.987 568 HB3 ALA 11 HB3 ALA 11 3.555 -13.859 -11.998 569 H GLY 12 H GLY 12 3.675 -10.466 -14.904 570 HA2 GLY 12 HA2 GLY 12 1.881 -9.310 -15.682 571 HA3 GLY 12 HA3 GLY 12 0.918 -10.758 -15.475 572 H GLU 13 H GLU 13 2.667 -9.318 -12.781 573 HA GLU 13 HA GLU 13 0.064 -9.168 -11.349 574 HB2 GLU 13 HB2 GLU 13 2.922 -9.337 -10.303 575 HB3 GLU 13 HB3 GLU 13 1.520 -9.118 -9.263 576 HG2 GLU 13 HG2 GLU 13 0.622 -11.301 -10.050 577 HG3 GLU 13 HG3 GLU 13 2.073 -11.514 -11.035 578 H TYR 14 H TYR 14 -0.716 -7.147 -11.907 579 HA TYR 14 HA TYR 14 0.577 -4.714 -11.886 580 HB2 TYR 14 HB2 TYR 14 -2.284 -5.274 -11.018 581 HB3 TYR 14 HB3 TYR 14 -1.642 -3.669 -11.356 582 HD1 TYR 14 HD1 TYR 14 -0.803 -3.144 -13.719 583 HD2 TYR 14 HD2 TYR 14 -3.072 -6.661 -12.807 584 HE1 TYR 14 HE1 TYR 14 -1.383 -3.406 -16.092 585 HE2 TYR 14 HE2 TYR 14 -3.636 -6.903 -15.175 586 HH TYR 14 HH TYR 14 -3.834 -5.163 -17.181 587 H ARG 15 H ARG 15 1.413 -3.520 -10.485 588 HA ARG 15 HA ARG 15 0.972 -3.557 -7.591 589 HB2 ARG 15 HB2 ARG 15 3.702 -4.046 -8.884 590 HB3 ARG 15 HB3 ARG 15 3.448 -3.761 -7.164 591 HG2 ARG 15 HG2 ARG 15 2.501 -5.875 -6.817 592 HG3 ARG 15 HG3 ARG 15 2.091 -6.091 -8.518 593 HD2 ARG 15 HD2 ARG 15 4.432 -6.361 -9.098 594 HD3 ARG 15 HD3 ARG 15 4.904 -6.037 -7.431 595 HE ARG 15 HE ARG 15 3.083 -8.266 -7.794 596 HH11 ARG 15 HH11 ARG 15 6.454 -7.333 -7.538 597 HH12 ARG 15 HH12 ARG 15 6.984 -8.928 -7.131 598 HH21 ARG 15 HH21 ARG 15 3.785 -10.350 -7.261 599 HH22 ARG 15 HH22 ARG 15 5.472 -10.640 -6.976 600 H PHE 16 H PHE 16 1.188 -1.489 -6.808 601 HA PHE 16 HA PHE 16 2.674 0.487 -8.433 602 HB2 PHE 16 HB2 PHE 16 1.248 2.264 -7.453 603 HB3 PHE 16 HB3 PHE 16 0.323 1.123 -8.409 604 HD1 PHE 16 HD1 PHE 16 0.946 2.397 -4.988 605 HD2 PHE 16 HD2 PHE 16 -1.393 -0.282 -7.370 606 HE1 PHE 16 HE1 PHE 16 -0.661 2.147 -3.143 607 HE2 PHE 16 HE2 PHE 16 -2.991 -0.525 -5.513 608 HZ PHE 16 HZ PHE 16 -2.624 0.687 -3.400 609 H ARG 17 H ARG 17 4.321 1.456 -7.478 610 HA ARG 17 HA ARG 17 4.791 1.019 -4.592 611 HB2 ARG 17 HB2 ARG 17 7.167 1.308 -5.059 612 HB3 ARG 17 HB3 ARG 17 6.518 0.033 -6.082 613 HG2 ARG 17 HG2 ARG 17 6.516 1.510 -8.010 614 HG3 ARG 17 HG3 ARG 17 7.005 2.882 -7.012 615 HD2 ARG 17 HD2 ARG 17 8.885 1.896 -8.321 616 HD3 ARG 17 HD3 ARG 17 9.166 1.876 -6.576 617 HE ARG 17 HE ARG 17 8.003 -0.562 -7.553 618 HH11 ARG 17 HH11 ARG 17 11.067 1.100 -7.141 619 HH12 ARG 17 HH12 ARG 17 11.983 -0.371 -7.137 620 HH21 ARG 17 HH21 ARG 17 9.207 -2.465 -7.527 621 HH22 ARG 17 HH22 ARG 17 10.931 -2.387 -7.355 622 H PHE 18 H PHE 18 5.880 2.792 -3.501 623 HA PHE 18 HA PHE 18 5.228 5.463 -4.672 624 HB2 PHE 18 HB2 PHE 18 3.768 4.908 -2.684 625 HB3 PHE 18 HB3 PHE 18 5.218 4.784 -1.698 626 HD1 PHE 18 HD1 PHE 18 4.397 7.360 -4.310 627 HD2 PHE 18 HD2 PHE 18 4.914 6.528 -0.148 628 HE1 PHE 18 HE1 PHE 18 4.152 9.748 -3.787 629 HE2 PHE 18 HE2 PHE 18 4.640 8.906 0.371 630 HZ PHE 18 HZ PHE 18 4.274 10.520 -1.451 631 H LYS 19 H LYS 19 6.810 6.872 -4.733 632 HA LYS 19 HA LYS 19 9.544 5.942 -4.106 633 HB2 LYS 19 HB2 LYS 19 8.514 8.187 -5.921 634 HB3 LYS 19 HB3 LYS 19 10.206 7.711 -5.742 635 HG2 LYS 19 HG2 LYS 19 7.976 5.936 -6.802 636 HG3 LYS 19 HG3 LYS 19 9.200 6.753 -7.787 637 HD2 LYS 19 HD2 LYS 19 9.826 4.694 -5.615 638 HD3 LYS 19 HD3 LYS 19 9.701 4.308 -7.330 639 HE2 LYS 19 HE2 LYS 19 11.655 6.374 -6.272 640 HE3 LYS 19 HE3 LYS 19 12.062 4.671 -6.415 641 HZ1 LYS 19 HZ1 LYS 19 12.788 5.871 -8.354 642 HZ2 LYS 19 HZ2 LYS 19 11.227 6.463 -8.626 643 HZ3 LYS 19 HZ3 LYS 19 11.543 4.812 -8.787 644 H ALA 20 H ALA 20 10.991 8.024 -3.826 645 HA ALA 20 HA ALA 20 9.900 9.915 -1.857 646 HB1 ALA 20 HB1 ALA 20 12.452 8.314 -1.440 647 HB2 ALA 20 HB2 ALA 20 10.944 8.102 -0.549 648 HB3 ALA 20 HB3 ALA 20 11.855 9.603 -0.391 649 H SER 21 H SER 21 11.370 11.807 -1.585 650 HA SER 21 HA SER 21 12.132 12.995 -3.961 651 HB2 SER 21 HB2 SER 21 13.324 14.697 -2.473 652 HB3 SER 21 HB3 SER 21 11.638 14.374 -2.074 653 HG SER 21 HG SER 21 13.323 14.410 -0.324 654 H ASN 22 H ASN 22 14.036 10.916 -1.879 655 HA ASN 22 HA ASN 22 16.632 11.458 -3.024 656 HB2 ASN 22 HB2 ASN 22 15.647 9.122 -1.331 657 HB3 ASN 22 HB3 ASN 22 17.335 9.427 -1.730 658 HD21 ASN 22 HD21 ASN 22 15.920 9.311 0.858 659 HD22 ASN 22 HD22 ASN 22 16.268 10.809 1.655 660 H GLY 23 H GLY 23 13.979 9.942 -4.323 661 HA2 GLY 23 HA2 GLY 23 13.583 8.553 -6.095 662 HA3 GLY 23 HA3 GLY 23 15.300 8.587 -6.457 663 H GLU 24 H GLU 24 13.611 7.552 -3.564 664 HA GLU 24 HA GLU 24 14.662 4.789 -3.846 665 HB2 GLU 24 HB2 GLU 24 14.385 6.511 -1.333 666 HB3 GLU 24 HB3 GLU 24 14.731 4.783 -1.298 667 HG2 GLU 24 HG2 GLU 24 16.503 6.855 -2.645 668 HG3 GLU 24 HG3 GLU 24 16.729 6.271 -0.995 669 H THR 25 H THR 25 13.181 3.190 -3.532 670 HA THR 25 HA THR 25 10.363 3.918 -3.194 671 HB THR 25 HB THR 25 11.641 1.219 -3.776 672 HG1 THR 25 HG1 THR 25 11.977 2.556 -5.497 673 HG21 THR 25 HG21 THR 25 9.389 0.502 -4.480 674 HG22 THR 25 HG22 THR 25 8.733 2.064 -3.987 675 HG23 THR 25 HG23 THR 25 9.394 0.963 -2.776 676 H MET 26 H MET 26 9.148 3.355 -1.496 677 HA MET 26 HA MET 26 10.479 2.211 0.895 678 HB2 MET 26 HB2 MET 26 8.668 3.725 2.120 679 HB3 MET 26 HB3 MET 26 10.206 4.382 1.595 680 HG2 MET 26 HG2 MET 26 8.380 5.907 1.083 681 HG3 MET 26 HG3 MET 26 9.132 5.330 -0.399 682 HE1 MET 26 HE1 MET 26 6.071 5.338 1.879 683 HE2 MET 26 HE2 MET 26 6.510 3.631 1.998 684 HE3 MET 26 HE3 MET 26 5.030 4.108 1.168 685 H PHE 27 H PHE 27 7.755 1.838 -1.242 686 HA PHE 27 HA PHE 27 7.592 -0.820 -0.159 687 HB2 PHE 27 HB2 PHE 27 5.349 -1.000 0.548 688 HB3 PHE 27 HB3 PHE 27 5.851 0.531 1.245 689 HD1 PHE 27 HD1 PHE 27 5.128 2.661 0.049 690 HD2 PHE 27 HD2 PHE 27 3.427 -1.102 -0.905 691 HE1 PHE 27 HE1 PHE 27 3.220 3.810 -0.950 692 HE2 PHE 27 HE2 PHE 27 1.510 0.043 -1.930 693 HZ PHE 27 HZ PHE 27 1.389 2.497 -1.957 694 H SER 28 H SER 28 6.444 -2.235 -1.379 695 HA SER 28 HA SER 28 5.502 -1.461 -4.090 696 HB2 SER 28 HB2 SER 28 6.919 -4.034 -3.255 697 HB3 SER 28 HB3 SER 28 6.159 -3.780 -4.829 698 HG SER 28 HG SER 28 8.302 -2.254 -3.741 699 H SER 29 H SER 29 3.321 -2.219 -4.546 700 HA SER 29 HA SER 29 1.978 -3.219 -2.102 701 HB2 SER 29 HB2 SER 29 -0.081 -2.260 -3.000 702 HB3 SER 29 HB3 SER 29 1.187 -1.038 -3.024 703 HG SER 29 HG SER 29 0.862 -0.881 -5.065 704 H GLU 30 H GLU 30 -0.072 -4.368 -2.600 705 HA GLU 30 HA GLU 30 0.128 -6.772 -4.052 706 HB2 GLU 30 HB2 GLU 30 -1.270 -6.462 -2.068 707 HB3 GLU 30 HB3 GLU 30 -2.194 -5.195 -2.862 708 HG2 GLU 30 HG2 GLU 30 -3.070 -6.908 -4.442 709 HG3 GLU 30 HG3 GLU 30 -2.221 -8.142 -3.510 710 H GLY 31 H GLY 31 -0.879 -3.519 -4.908 711 HA2 GLY 31 HA2 GLY 31 -1.565 -2.549 -6.867 712 HA3 GLY 31 HA3 GLY 31 -1.438 -4.103 -7.665 713 H TYR 32 H TYR 32 -3.268 -5.028 -5.319 714 HA TYR 32 HA TYR 32 -5.388 -5.100 -4.555 715 HB2 TYR 32 HB2 TYR 32 -5.639 -2.663 -4.817 716 HB3 TYR 32 HB3 TYR 32 -5.984 -2.853 -6.528 717 HD1 TYR 32 HD1 TYR 32 -7.359 -3.302 -3.107 718 HD2 TYR 32 HD2 TYR 32 -8.214 -3.524 -7.281 719 HE1 TYR 32 HE1 TYR 32 -9.766 -3.405 -2.616 720 HE2 TYR 32 HE2 TYR 32 -10.612 -3.629 -6.788 721 HH TYR 32 HH TYR 32 -11.905 -2.902 -3.775 722 H LYS 33 H LYS 33 -5.471 -4.564 -8.126 723 HA LYS 33 HA LYS 33 -6.243 -7.323 -8.604 724 HB2 LYS 33 HB2 LYS 33 -8.427 -6.378 -8.023 725 HB3 LYS 33 HB3 LYS 33 -8.208 -5.058 -9.155 726 HG2 LYS 33 HG2 LYS 33 -9.805 -6.766 -9.962 727 HG3 LYS 33 HG3 LYS 33 -8.436 -6.555 -11.051 728 HD2 LYS 33 HD2 LYS 33 -9.043 -8.938 -10.813 729 HD3 LYS 33 HD3 LYS 33 -7.417 -8.633 -10.204 730 HE2 LYS 33 HE2 LYS 33 -8.624 -10.147 -8.707 731 HE3 LYS 33 HE3 LYS 33 -8.282 -8.620 -7.902 732 HZ1 LYS 33 HZ1 LYS 33 -10.892 -9.362 -9.100 733 HZ2 LYS 33 HZ2 LYS 33 -10.548 -7.933 -8.262 734 HZ3 LYS 33 HZ3 LYS 33 -10.519 -9.413 -7.451 735 H ALA 34 H ALA 34 -6.527 -4.191 -10.301 736 HA ALA 34 HA ALA 34 -4.907 -5.199 -12.554 737 HB1 ALA 34 HB1 ALA 34 -6.598 -4.379 -14.143 738 HB2 ALA 34 HB2 ALA 34 -7.634 -3.881 -12.802 739 HB3 ALA 34 HB3 ALA 34 -7.299 -5.593 -13.064 740 H LYS 35 H LYS 35 -4.918 -2.974 -14.238 741 HA LYS 35 HA LYS 35 -3.328 -1.100 -12.811 742 HB2 LYS 35 HB2 LYS 35 -2.778 -1.479 -15.108 743 HB3 LYS 35 HB3 LYS 35 -4.424 -1.220 -15.648 744 HG2 LYS 35 HG2 LYS 35 -2.822 1.075 -14.482 745 HG3 LYS 35 HG3 LYS 35 -2.571 0.576 -16.156 746 HD2 LYS 35 HD2 LYS 35 -5.052 0.937 -16.554 747 HD3 LYS 35 HD3 LYS 35 -5.172 1.586 -14.923 748 HE2 LYS 35 HE2 LYS 35 -5.047 3.449 -16.421 749 HE3 LYS 35 HE3 LYS 35 -3.494 3.356 -15.592 750 HZ1 LYS 35 HZ1 LYS 35 -2.517 2.370 -17.508 751 HZ2 LYS 35 HZ2 LYS 35 -3.331 3.769 -17.993 752 HZ3 LYS 35 HZ3 LYS 35 -4.013 2.249 -18.287 753 H ALA 36 H ALA 36 -6.604 -0.943 -14.247 754 HA ALA 36 HA ALA 36 -7.228 1.697 -13.510 755 HB1 ALA 36 HB1 ALA 36 -9.575 1.106 -13.945 756 HB2 ALA 36 HB2 ALA 36 -9.154 -0.608 -13.938 757 HB3 ALA 36 HB3 ALA 36 -8.515 0.451 -15.193 758 H SER 37 H SER 37 -7.602 -1.336 -11.796 759 HA SER 37 HA SER 37 -9.069 -0.351 -9.549 760 HB2 SER 37 HB2 SER 37 -7.341 -2.847 -9.614 761 HB3 SER 37 HB3 SER 37 -8.822 -2.566 -8.695 762 HG SER 37 HG SER 37 -9.587 -3.675 -10.349 763 H ALA 38 H ALA 38 -5.675 -0.653 -10.411 764 HA ALA 38 HA ALA 38 -4.543 -0.210 -7.826 765 HB1 ALA 38 HB1 ALA 38 -2.423 0.180 -9.019 766 HB2 ALA 38 HB2 ALA 38 -3.285 0.204 -10.560 767 HB3 ALA 38 HB3 ALA 38 -3.230 -1.277 -9.605 768 H ILE 39 H ILE 39 -5.178 1.977 -10.655 769 HA ILE 39 HA ILE 39 -4.506 4.400 -9.515 770 HB ILE 39 HB ILE 39 -6.502 3.620 -11.662 771 HG12 ILE 39 HG12 ILE 39 -5.045 5.212 -13.044 772 HG13 ILE 39 HG13 ILE 39 -3.988 5.355 -11.645 773 HG21 ILE 39 HG21 ILE 39 -7.097 5.989 -12.112 774 HG22 ILE 39 HG22 ILE 39 -6.280 6.466 -10.620 775 HG23 ILE 39 HG23 ILE 39 -7.704 5.429 -10.553 776 HD11 ILE 39 HD11 ILE 39 -4.578 2.835 -13.180 777 HD12 ILE 39 HD12 ILE 39 -3.498 2.969 -11.789 778 HD13 ILE 39 HD13 ILE 39 -3.119 3.819 -13.288 779 H HIS 40 H HIS 40 -7.644 2.664 -9.351 780 HA HIS 40 HA HIS 40 -9.126 4.567 -7.922 781 HB2 HIS 40 HB2 HIS 40 -9.405 1.529 -7.911 782 HB3 HIS 40 HB3 HIS 40 -10.594 2.627 -7.214 783 HD1 HIS 40 HD1 HIS 40 -11.294 0.668 -9.488 784 HD2 HIS 40 HD2 HIS 40 -10.242 4.646 -10.053 785 HE1 HIS 40 HE1 HIS 40 -12.304 1.328 -11.690 786 HE2 HIS 40 HE2 HIS 40 -11.474 3.669 -12.097 787 H ALA 41 H ALA 41 -7.030 1.942 -6.776 788 HA ALA 41 HA ALA 41 -7.376 2.228 -4.012 789 HB1 ALA 41 HB1 ALA 41 -5.213 1.044 -3.841 790 HB2 ALA 41 HB2 ALA 41 -4.912 1.331 -5.557 791 HB3 ALA 41 HB3 ALA 41 -6.248 0.294 -5.061 792 H ILE 42 H ILE 42 -4.945 3.618 -6.222 793 HA ILE 42 HA ILE 42 -3.642 5.239 -4.351 794 HB ILE 42 HB ILE 42 -3.848 5.499 -7.362 795 HG12 ILE 42 HG12 ILE 42 -1.553 4.442 -5.638 796 HG13 ILE 42 HG13 ILE 42 -2.784 3.406 -6.354 797 HG21 ILE 42 HG21 ILE 42 -1.835 6.954 -7.240 798 HG22 ILE 42 HG22 ILE 42 -1.956 6.959 -5.478 799 HG23 ILE 42 HG23 ILE 42 -3.234 7.690 -6.455 800 HD11 ILE 42 HD11 ILE 42 -0.721 3.446 -7.621 801 HD12 ILE 42 HD12 ILE 42 -0.915 5.174 -7.896 802 HD13 ILE 42 HD13 ILE 42 -2.095 4.033 -8.555 803 H GLU 43 H GLU 43 -6.676 5.724 -6.001 804 HA GLU 43 HA GLU 43 -6.826 8.555 -5.735 805 HB2 GLU 43 HB2 GLU 43 -9.058 6.519 -6.079 806 HB3 GLU 43 HB3 GLU 43 -9.302 8.263 -6.108 807 HG2 GLU 43 HG2 GLU 43 -7.694 6.622 -8.085 808 HG3 GLU 43 HG3 GLU 43 -9.259 7.374 -8.365 809 H SER 44 H SER 44 -7.710 5.828 -3.613 810 HA SER 44 HA SER 44 -8.801 7.268 -1.459 811 HB2 SER 44 HB2 SER 44 -7.179 4.726 -1.601 812 HB3 SER 44 HB3 SER 44 -7.640 5.378 -0.031 813 HG SER 44 HG SER 44 -9.795 5.156 -0.630 814 H ILE 45 H ILE 45 -5.424 6.854 -2.426 815 HA ILE 45 HA ILE 45 -4.284 7.796 0.017 816 HB ILE 45 HB ILE 45 -2.708 8.021 -2.600 817 HG12 ILE 45 HG12 ILE 45 -3.905 5.755 -2.639 818 HG13 ILE 45 HG13 ILE 45 -2.150 5.663 -2.650 819 HG21 ILE 45 HG21 ILE 45 -2.025 7.129 0.218 820 HG22 ILE 45 HG22 ILE 45 -1.645 8.692 -0.519 821 HG23 ILE 45 HG23 ILE 45 -0.873 7.228 -1.129 822 HD11 ILE 45 HD11 ILE 45 -3.067 3.966 -1.246 823 HD12 ILE 45 HD12 ILE 45 -3.984 5.150 -0.321 824 HD13 ILE 45 HD13 ILE 45 -2.218 5.132 -0.237 825 H LYS 46 H LYS 46 -5.149 9.279 -3.106 826 HA LYS 46 HA LYS 46 -4.038 11.802 -2.749 827 HB2 LYS 46 HB2 LYS 46 -6.568 11.378 -4.369 828 HB3 LYS 46 HB3 LYS 46 -5.248 12.503 -4.661 829 HG2 LYS 46 HG2 LYS 46 -5.371 9.543 -5.222 830 HG3 LYS 46 HG3 LYS 46 -5.063 10.867 -6.343 831 HD2 LYS 46 HD2 LYS 46 -3.174 9.910 -4.153 832 HD3 LYS 46 HD3 LYS 46 -3.039 9.521 -5.868 833 HE2 LYS 46 HE2 LYS 46 -2.965 12.356 -4.850 834 HE3 LYS 46 HE3 LYS 46 -1.549 11.358 -4.971 835 HZ1 LYS 46 HZ1 LYS 46 -1.845 12.752 -6.915 836 HZ2 LYS 46 HZ2 LYS 46 -3.347 12.038 -7.224 837 HZ3 LYS 46 HZ3 LYS 46 -1.933 11.116 -7.328 838 H ARG 47 H ARG 47 -6.746 10.500 -1.235 839 HA ARG 47 HA ARG 47 -8.389 12.855 -1.016 840 HB2 ARG 47 HB2 ARG 47 -8.575 10.319 0.651 841 HB3 ARG 47 HB3 ARG 47 -9.833 11.537 0.458 842 HG2 ARG 47 HG2 ARG 47 -8.783 9.631 -1.647 843 HG3 ARG 47 HG3 ARG 47 -10.361 9.585 -0.866 844 HD2 ARG 47 HD2 ARG 47 -11.034 11.633 -1.983 845 HD3 ARG 47 HD3 ARG 47 -9.406 11.862 -2.637 846 HE ARG 47 HE ARG 47 -10.686 9.370 -3.378 847 HH11 ARG 47 HH11 ARG 47 -10.167 12.714 -4.346 848 HH12 ARG 47 HH12 ARG 47 -10.448 12.375 -6.025 849 HH21 ARG 47 HH21 ARG 47 -11.031 8.963 -5.562 850 HH22 ARG 47 HH22 ARG 47 -10.949 10.264 -6.709 851 H ASN 48 H ASN 48 -6.353 11.099 1.346 852 HA ASN 48 HA ASN 48 -5.847 13.386 3.006 853 HB2 ASN 48 HB2 ASN 48 -8.287 13.073 3.499 854 HB3 ASN 48 HB3 ASN 48 -7.947 11.461 4.102 855 HD21 ASN 48 HD21 ASN 48 -5.936 14.312 4.771 856 HD22 ASN 48 HD22 ASN 48 -6.297 14.377 6.458 857 H SER 49 H SER 49 -4.583 10.773 1.923 858 HA SER 49 HA SER 49 -3.978 9.008 4.048 859 HB2 SER 49 HB2 SER 49 -2.227 8.135 2.614 860 HB3 SER 49 HB3 SER 49 -3.636 8.527 1.621 861 HG SER 49 HG SER 49 -2.357 9.797 0.537 862 H ALA 50 H ALA 50 -2.261 11.883 2.857 863 HA ALA 50 HA ALA 50 0.023 11.746 4.470 864 HB1 ALA 50 HB1 ALA 50 0.357 14.111 3.906 865 HB2 ALA 50 HB2 ALA 50 -1.310 14.223 3.333 866 HB3 ALA 50 HB3 ALA 50 -0.155 13.190 2.490 867 H GLY 51 H GLY 51 -3.224 12.728 5.267 868 HA2 GLY 51 HA2 GLY 51 -2.393 13.599 7.981 869 HA3 GLY 51 HA3 GLY 51 -3.928 13.961 7.211 870 H ALA 52 H ALA 52 -3.568 10.864 6.401 871 HA ALA 52 HA ALA 52 -5.496 9.821 8.174 872 HB1 ALA 52 HB1 ALA 52 -5.171 8.963 5.894 873 HB2 ALA 52 HB2 ALA 52 -5.013 7.651 7.063 874 HB3 ALA 52 HB3 ALA 52 -3.564 8.362 6.325 875 H ASP 53 H ASP 53 -5.331 8.562 10.004 876 HA ASP 53 HA ASP 53 -3.012 8.772 11.626 877 HB2 ASP 53 HB2 ASP 53 -5.252 8.735 12.590 878 HB3 ASP 53 HB3 ASP 53 -5.558 7.139 11.920 879 H THR 54 H THR 54 -1.614 7.108 12.395 880 HA THR 54 HA THR 54 -1.366 4.719 10.645 881 HB THR 54 HB THR 54 0.866 6.193 12.114 882 HG1 THR 54 HG1 THR 54 -0.208 6.410 9.522 883 HG21 THR 54 HG21 THR 54 1.436 3.817 11.767 884 HG22 THR 54 HG22 THR 54 2.396 4.833 10.683 885 HG23 THR 54 HG23 THR 54 1.001 3.945 10.062 886 H VAL 55 H VAL 55 -1.713 2.817 11.633 887 HA VAL 55 HA VAL 55 -1.593 2.572 14.591 888 HB VAL 55 HB VAL 55 -3.733 1.271 12.828 889 HG11 VAL 55 HG11 VAL 55 -4.906 0.839 14.965 890 HG12 VAL 55 HG12 VAL 55 -3.571 1.583 15.851 891 HG13 VAL 55 HG13 VAL 55 -3.304 0.097 14.937 892 HG21 VAL 55 HG21 VAL 55 -4.076 3.683 12.692 893 HG22 VAL 55 HG22 VAL 55 -4.042 3.819 14.453 894 HG23 VAL 55 HG23 VAL 55 -5.351 2.940 13.659 895 H ASP 56 H ASP 56 -0.210 0.857 15.106 896 HA ASP 56 HA ASP 56 0.013 -1.364 13.173 897 HB2 ASP 56 HB2 ASP 56 2.050 -2.091 14.369 898 HB3 ASP 56 HB3 ASP 56 2.182 -0.457 13.747 899 H LEU 57 H LEU 57 -1.487 -2.817 13.460 900 HA LEU 57 HA LEU 57 -2.748 -3.559 15.908 901 HB2 LEU 57 HB2 LEU 57 -2.695 -5.056 13.262 902 HB3 LEU 57 HB3 LEU 57 -3.868 -5.273 14.555 903 HG LEU 57 HG LEU 57 -3.567 -2.767 12.847 904 HD11 LEU 57 HD11 LEU 57 -5.730 -4.894 12.776 905 HD12 LEU 57 HD12 LEU 57 -4.480 -4.632 11.560 906 HD13 LEU 57 HD13 LEU 57 -5.707 -3.398 11.832 907 HD21 LEU 57 HD21 LEU 57 -4.338 -2.197 15.098 908 HD22 LEU 57 HD22 LEU 57 -5.613 -3.414 15.001 909 HD23 LEU 57 HD23 LEU 57 -5.651 -2.004 13.939 910 H THR 58 H THR 58 0.245 -4.397 14.557 911 HA THR 58 HA THR 58 0.412 -7.125 15.623 912 HB THR 58 HB THR 58 1.216 -6.749 13.324 913 HG1 THR 58 HG1 THR 58 2.736 -7.816 15.282 914 HG21 THR 58 HG21 THR 58 3.298 -4.863 14.489 915 HG22 THR 58 HG22 THR 58 1.924 -4.389 13.484 916 HG23 THR 58 HG23 THR 58 3.198 -5.404 12.809 917 H THR 59 H THR 59 0.316 -4.543 17.237 918 HA THR 59 HA THR 59 2.266 -3.464 18.555 919 HB THR 59 HB THR 59 1.088 -3.694 20.758 920 HG1 THR 59 HG1 THR 59 -0.095 -5.401 21.090 921 HG21 THR 59 HG21 THR 59 -0.812 -3.282 18.421 922 HG22 THR 59 HG22 THR 59 0.242 -2.048 19.116 923 HG23 THR 59 HG23 THR 59 -1.069 -2.729 20.080 924 H MET 60 H MET 60 1.380 -6.780 19.611 925 HA MET 60 HA MET 60 3.939 -7.204 20.934 926 HB2 MET 60 HB2 MET 60 1.591 -9.083 20.438 927 HB3 MET 60 HB3 MET 60 3.023 -9.509 21.366 928 HG2 MET 60 HG2 MET 60 2.458 -7.751 23.006 929 HG3 MET 60 HG3 MET 60 1.010 -7.359 22.078 930 HE1 MET 60 HE1 MET 60 2.806 -10.064 24.320 931 HE2 MET 60 HE2 MET 60 2.545 -10.958 22.821 932 HE3 MET 60 HE3 MET 60 1.646 -11.393 24.273 933 H THR 61 H THR 61 5.433 -7.015 19.277 934 HA THR 61 HA THR 61 5.092 -8.233 16.692 935 HB THR 61 HB THR 61 7.418 -7.258 16.285 936 HG1 THR 61 HG1 THR 61 8.244 -7.194 18.364 937 HG21 THR 61 HG21 THR 61 5.301 -5.355 17.348 938 HG22 THR 61 HG22 THR 61 5.386 -5.987 15.703 939 HG23 THR 61 HG23 THR 61 6.649 -4.908 16.299 940 H ALA 62 H ALA 62 6.616 -9.692 15.685 941 HA ALA 62 HA ALA 62 7.626 -11.770 17.538 942 HB1 ALA 62 HB1 ALA 62 7.254 -13.360 15.691 943 HB2 ALA 62 HB2 ALA 62 6.684 -12.045 14.658 944 HB3 ALA 62 HB3 ALA 62 5.766 -12.502 16.094 Start of MODEL 13 1 H MET 1 H MET 1 -12.407 7.768 11.123 2 HA MET 1 HA MET 1 -11.900 8.687 8.992 3 HB2 MET 1 HB2 MET 1 -10.534 10.615 9.847 4 HB3 MET 1 HB3 MET 1 -9.231 9.505 10.246 5 HG2 MET 1 HG2 MET 1 -9.119 8.909 7.784 6 HG3 MET 1 HG3 MET 1 -10.254 10.222 7.483 7 HE1 MET 1 HE1 MET 1 -9.659 12.813 7.989 8 HE2 MET 1 HE2 MET 1 -8.107 13.340 8.637 9 HE3 MET 1 HE3 MET 1 -9.216 12.418 9.651 10 H TYR 2 H TYR 2 -10.734 7.399 7.424 11 HA TYR 2 HA TYR 2 -9.796 4.843 8.226 12 HB2 TYR 2 HB2 TYR 2 -9.007 4.672 5.825 13 HB3 TYR 2 HB3 TYR 2 -10.718 4.958 6.075 14 HD1 TYR 2 HD1 TYR 2 -7.550 6.895 5.373 15 HD2 TYR 2 HD2 TYR 2 -11.766 6.607 4.755 16 HE1 TYR 2 HE1 TYR 2 -7.447 8.735 3.759 17 HE2 TYR 2 HE2 TYR 2 -11.650 8.449 3.147 18 HH TYR 2 HH TYR 2 -10.206 10.298 2.569 19 H LYS 3 H LYS 3 -7.502 4.103 7.285 20 HA LYS 3 HA LYS 3 -5.284 5.677 7.962 21 HB2 LYS 3 HB2 LYS 3 -4.858 4.407 10.270 22 HB3 LYS 3 HB3 LYS 3 -5.781 5.890 10.218 23 HG2 LYS 3 HG2 LYS 3 -6.744 4.196 11.738 24 HG3 LYS 3 HG3 LYS 3 -7.866 4.710 10.479 25 HD2 LYS 3 HD2 LYS 3 -7.522 2.642 9.250 26 HD3 LYS 3 HD3 LYS 3 -6.232 2.149 10.353 27 HE2 LYS 3 HE2 LYS 3 -7.751 1.756 12.131 28 HE3 LYS 3 HE3 LYS 3 -9.052 2.649 11.338 29 HZ1 LYS 3 HZ1 LYS 3 -9.183 0.162 11.321 30 HZ2 LYS 3 HZ2 LYS 3 -7.917 0.183 10.207 31 HZ3 LYS 3 HZ3 LYS 3 -9.380 0.934 9.836 32 H PHE 4 H PHE 4 -3.491 4.012 8.976 33 HA PHE 4 HA PHE 4 -3.369 1.754 7.071 34 HB2 PHE 4 HB2 PHE 4 -1.176 3.371 8.442 35 HB3 PHE 4 HB3 PHE 4 -0.854 1.836 7.639 36 HD1 PHE 4 HD1 PHE 4 -2.042 5.329 7.061 37 HD2 PHE 4 HD2 PHE 4 -0.631 1.712 5.260 38 HE1 PHE 4 HE1 PHE 4 -1.782 6.489 4.909 39 HE2 PHE 4 HE2 PHE 4 -0.380 2.880 3.112 40 HZ PHE 4 HZ PHE 4 -0.954 5.268 2.934 41 H GLU 5 H GLU 5 -3.631 -0.156 7.915 42 HA GLU 5 HA GLU 5 -3.393 -0.652 10.815 43 HB2 GLU 5 HB2 GLU 5 -4.711 -2.256 8.574 44 HB3 GLU 5 HB3 GLU 5 -4.519 -2.875 10.210 45 HG2 GLU 5 HG2 GLU 5 -5.923 -1.012 11.046 46 HG3 GLU 5 HG3 GLU 5 -6.141 -0.463 9.379 47 H ILE 6 H ILE 6 -1.413 -1.399 11.438 48 HA ILE 6 HA ILE 6 0.264 -2.888 9.520 49 HB ILE 6 HB ILE 6 1.200 -1.706 12.177 50 HG12 ILE 6 HG12 ILE 6 1.581 -0.370 9.459 51 HG13 ILE 6 HG13 ILE 6 0.301 0.088 10.576 52 HG21 ILE 6 HG21 ILE 6 2.597 -3.511 11.218 53 HG22 ILE 6 HG22 ILE 6 3.456 -1.967 11.155 54 HG23 ILE 6 HG23 ILE 6 2.721 -2.623 9.691 55 HD11 ILE 6 HD11 ILE 6 1.976 0.705 12.241 56 HD12 ILE 6 HD12 ILE 6 2.199 1.578 10.726 57 HD13 ILE 6 HD13 ILE 6 3.259 0.229 11.124 58 H TYR 7 H TYR 7 0.250 -4.975 9.868 59 HA TYR 7 HA TYR 7 0.164 -6.086 12.589 60 HB2 TYR 7 HB2 TYR 7 -1.303 -7.933 11.762 61 HB3 TYR 7 HB3 TYR 7 -2.103 -6.367 11.763 62 HD1 TYR 7 HD1 TYR 7 -2.402 -5.130 9.556 63 HD2 TYR 7 HD2 TYR 7 -1.093 -9.198 9.730 64 HE1 TYR 7 HE1 TYR 7 -3.042 -5.429 7.207 65 HE2 TYR 7 HE2 TYR 7 -1.748 -9.494 7.368 66 HH TYR 7 HH TYR 7 -2.438 -6.933 5.311 67 H GLN 8 H GLN 8 0.774 -8.618 12.243 68 HA GLN 8 HA GLN 8 2.777 -8.788 10.060 69 HB2 GLN 8 HB2 GLN 8 4.397 -9.742 11.400 70 HB3 GLN 8 HB3 GLN 8 3.641 -8.661 12.561 71 HG2 GLN 8 HG2 GLN 8 2.320 -10.625 13.404 72 HG3 GLN 8 HG3 GLN 8 3.242 -11.647 12.317 73 HE21 GLN 8 HE21 GLN 8 5.778 -10.229 12.733 74 HE22 GLN 8 HE22 GLN 8 6.322 -10.672 14.308 75 H ASP 9 H ASP 9 2.979 -10.763 9.005 76 HA ASP 9 HA ASP 9 0.632 -12.512 9.128 77 HB2 ASP 9 HB2 ASP 9 1.006 -13.029 6.891 78 HB3 ASP 9 HB3 ASP 9 1.623 -11.388 6.948 79 H LYS 10 H LYS 10 1.178 -14.842 8.507 80 HA LYS 10 HA LYS 10 2.260 -16.240 10.560 81 HB2 LYS 10 HB2 LYS 10 2.278 -18.237 8.975 82 HB3 LYS 10 HB3 LYS 10 0.769 -17.351 9.088 83 HG2 LYS 10 HG2 LYS 10 0.930 -17.789 6.799 84 HG3 LYS 10 HG3 LYS 10 1.521 -16.138 6.923 85 HD2 LYS 10 HD2 LYS 10 2.922 -17.418 5.378 86 HD3 LYS 10 HD3 LYS 10 3.858 -16.965 6.803 87 HE2 LYS 10 HE2 LYS 10 3.505 -19.249 7.737 88 HE3 LYS 10 HE3 LYS 10 2.646 -19.702 6.261 89 HZ1 LYS 10 HZ1 LYS 10 4.670 -19.270 5.015 90 HZ2 LYS 10 HZ2 LYS 10 4.951 -20.413 6.220 91 HZ3 LYS 10 HZ3 LYS 10 5.483 -18.824 6.429 92 H ALA 11 H ALA 11 4.064 -15.026 7.819 93 HA ALA 11 HA ALA 11 6.476 -16.562 8.203 94 HB1 ALA 11 HB1 ALA 11 7.438 -15.053 6.509 95 HB2 ALA 11 HB2 ALA 11 6.035 -13.992 6.646 96 HB3 ALA 11 HB3 ALA 11 5.844 -15.625 6.009 97 H GLY 12 H GLY 12 5.189 -14.414 10.272 98 HA2 GLY 12 HA2 GLY 12 5.862 -13.002 11.906 99 HA3 GLY 12 HA3 GLY 12 7.451 -13.710 11.740 100 H GLU 13 H GLU 13 5.532 -11.898 9.372 101 HA GLU 13 HA GLU 13 7.674 -9.807 9.294 102 HB2 GLU 13 HB2 GLU 13 6.325 -11.042 6.855 103 HB3 GLU 13 HB3 GLU 13 7.411 -9.651 6.833 104 HG2 GLU 13 HG2 GLU 13 9.188 -11.181 7.821 105 HG3 GLU 13 HG3 GLU 13 8.090 -12.524 7.493 106 H TYR 14 H TYR 14 6.876 -7.716 8.288 107 HA TYR 14 HA TYR 14 4.283 -7.241 9.607 108 HB2 TYR 14 HB2 TYR 14 6.578 -5.342 8.997 109 HB3 TYR 14 HB3 TYR 14 5.023 -4.820 9.650 110 HD1 TYR 14 HD1 TYR 14 8.006 -6.958 10.383 111 HD2 TYR 14 HD2 TYR 14 4.524 -5.088 12.012 112 HE1 TYR 14 HE1 TYR 14 8.793 -7.474 12.652 113 HE2 TYR 14 HE2 TYR 14 5.330 -5.595 14.278 114 HH TYR 14 HH TYR 14 6.844 -6.848 15.489 115 H ARG 15 H ARG 15 2.659 -6.439 8.551 116 HA ARG 15 HA ARG 15 2.739 -6.013 5.632 117 HB2 ARG 15 HB2 ARG 15 0.536 -7.500 7.150 118 HB3 ARG 15 HB3 ARG 15 0.671 -7.313 5.400 119 HG2 ARG 15 HG2 ARG 15 2.519 -8.943 7.194 120 HG3 ARG 15 HG3 ARG 15 1.312 -9.580 6.071 121 HD2 ARG 15 HD2 ARG 15 2.566 -8.767 4.171 122 HD3 ARG 15 HD3 ARG 15 3.691 -7.893 5.213 123 HE ARG 15 HE ARG 15 3.770 -10.590 5.911 124 HH11 ARG 15 HH11 ARG 15 4.755 -8.510 3.256 125 HH12 ARG 15 HH12 ARG 15 6.008 -9.583 2.726 126 HH21 ARG 15 HH21 ARG 15 5.396 -11.975 5.236 127 HH22 ARG 15 HH22 ARG 15 6.385 -11.562 3.869 128 H PHE 16 H PHE 16 1.479 -4.280 4.895 129 HA PHE 16 HA PHE 16 -0.089 -2.765 6.915 130 HB2 PHE 16 HB2 PHE 16 0.255 -0.781 5.657 131 HB3 PHE 16 HB3 PHE 16 1.812 -1.590 5.616 132 HD1 PHE 16 HD1 PHE 16 2.147 -3.212 3.496 133 HD2 PHE 16 HD2 PHE 16 -0.558 0.094 3.646 134 HE1 PHE 16 HE1 PHE 16 2.118 -3.123 1.041 135 HE2 PHE 16 HE2 PHE 16 -0.582 0.161 1.201 136 HZ PHE 16 HZ PHE 16 0.745 -1.430 -0.100 137 H ARG 17 H ARG 17 -2.252 -2.177 6.447 138 HA ARG 17 HA ARG 17 -3.072 -2.323 3.624 139 HB2 ARG 17 HB2 ARG 17 -5.315 -3.133 4.222 140 HB3 ARG 17 HB3 ARG 17 -4.074 -4.293 4.657 141 HG2 ARG 17 HG2 ARG 17 -4.268 -3.601 7.022 142 HG3 ARG 17 HG3 ARG 17 -5.541 -2.459 6.570 143 HD2 ARG 17 HD2 ARG 17 -6.483 -4.555 7.466 144 HD3 ARG 17 HD3 ARG 17 -6.954 -4.309 5.778 145 HE ARG 17 HE ARG 17 -4.635 -6.010 6.402 146 HH11 ARG 17 HH11 ARG 17 -7.910 -5.838 5.163 147 HH12 ARG 17 HH12 ARG 17 -7.877 -7.455 4.544 148 HH21 ARG 17 HH21 ARG 17 -4.609 -8.121 5.590 149 HH22 ARG 17 HH22 ARG 17 -6.008 -8.742 4.779 150 H PHE 18 H PHE 18 -4.063 -0.545 2.906 151 HA PHE 18 HA PHE 18 -4.651 1.648 4.835 152 HB2 PHE 18 HB2 PHE 18 -3.135 2.306 2.955 153 HB3 PHE 18 HB3 PHE 18 -4.384 1.848 1.801 154 HD1 PHE 18 HD1 PHE 18 -4.720 3.765 5.012 155 HD2 PHE 18 HD2 PHE 18 -4.909 3.886 0.746 156 HE1 PHE 18 HE1 PHE 18 -5.591 6.056 5.104 157 HE2 PHE 18 HE2 PHE 18 -5.745 6.194 0.837 158 HZ PHE 18 HZ PHE 18 -6.113 7.264 3.030 159 H LYS 19 H LYS 19 -6.645 2.199 5.230 160 HA LYS 19 HA LYS 19 -8.791 0.512 4.170 161 HB2 LYS 19 HB2 LYS 19 -8.612 2.224 6.694 162 HB3 LYS 19 HB3 LYS 19 -9.949 1.147 6.279 163 HG2 LYS 19 HG2 LYS 19 -7.074 0.277 6.788 164 HG3 LYS 19 HG3 LYS 19 -8.420 0.102 7.924 165 HD2 LYS 19 HD2 LYS 19 -8.318 -1.178 5.150 166 HD3 LYS 19 HD3 LYS 19 -7.907 -2.023 6.635 167 HE2 LYS 19 HE2 LYS 19 -10.610 -0.738 6.186 168 HE3 LYS 19 HE3 LYS 19 -10.267 -2.393 5.726 169 HZ1 LYS 19 HZ1 LYS 19 -11.319 -2.247 7.889 170 HZ2 LYS 19 HZ2 LYS 19 -10.049 -1.287 8.464 171 HZ3 LYS 19 HZ3 LYS 19 -9.760 -2.891 8.020 172 H ALA 20 H ALA 20 -11.006 1.636 4.508 173 HA ALA 20 HA ALA 20 -11.109 4.368 3.391 174 HB1 ALA 20 HB1 ALA 20 -13.030 3.675 1.983 175 HB2 ALA 20 HB2 ALA 20 -12.827 2.007 2.524 176 HB3 ALA 20 HB3 ALA 20 -11.569 2.778 1.560 177 H SER 21 H SER 21 -13.085 5.515 3.989 178 HA SER 21 HA SER 21 -13.917 5.445 6.565 179 HB2 SER 21 HB2 SER 21 -15.838 6.863 5.839 180 HB3 SER 21 HB3 SER 21 -14.316 7.340 5.093 181 HG SER 21 HG SER 21 -16.605 6.363 3.950 182 H ASN 22 H ASN 22 -15.334 3.515 3.944 183 HA ASN 22 HA ASN 22 -17.636 2.613 5.451 184 HB2 ASN 22 HB2 ASN 22 -17.554 2.812 2.932 185 HB3 ASN 22 HB3 ASN 22 -16.471 1.433 2.896 186 HD21 ASN 22 HD21 ASN 22 -17.333 -0.652 3.345 187 HD22 ASN 22 HD22 ASN 22 -19.034 -0.950 3.288 188 H GLY 23 H GLY 23 -14.410 1.868 5.773 189 HA2 GLY 23 HA2 GLY 23 -13.333 0.206 6.985 190 HA3 GLY 23 HA3 GLY 23 -14.818 -0.724 7.021 191 H GLU 24 H GLU 24 -14.091 0.362 3.931 192 HA GLU 24 HA GLU 24 -13.377 -2.228 2.879 193 HB2 GLU 24 HB2 GLU 24 -13.384 0.506 1.526 194 HB3 GLU 24 HB3 GLU 24 -13.247 -1.042 0.692 195 HG2 GLU 24 HG2 GLU 24 -15.638 -0.020 2.250 196 HG3 GLU 24 HG3 GLU 24 -15.505 -0.177 0.503 197 H THR 25 H THR 25 -11.408 -2.533 1.487 198 HA THR 25 HA THR 25 -9.053 -0.952 2.368 199 HB THR 25 HB THR 25 -9.007 -3.978 1.939 200 HG1 THR 25 HG1 THR 25 -10.172 -3.153 3.869 201 HG21 THR 25 HG21 THR 25 -6.849 -2.867 1.508 202 HG22 THR 25 HG22 THR 25 -6.780 -3.862 2.965 203 HG23 THR 25 HG23 THR 25 -6.933 -2.111 3.102 204 H MET 26 H MET 26 -7.973 -0.197 0.755 205 HA MET 26 HA MET 26 -8.738 -0.916 -2.010 206 HB2 MET 26 HB2 MET 26 -7.670 1.433 -2.495 207 HB3 MET 26 HB3 MET 26 -9.271 1.323 -1.783 208 HG2 MET 26 HG2 MET 26 -7.960 3.058 -0.714 209 HG3 MET 26 HG3 MET 26 -8.333 1.776 0.438 210 HE1 MET 26 HE1 MET 26 -5.686 3.483 -1.775 211 HE2 MET 26 HE2 MET 26 -5.587 1.837 -2.414 212 HE3 MET 26 HE3 MET 26 -4.244 2.511 -1.490 213 H PHE 27 H PHE 27 -5.941 -0.912 0.125 214 HA PHE 27 HA PHE 27 -4.975 -2.996 -1.526 215 HB2 PHE 27 HB2 PHE 27 -2.769 -2.229 -2.136 216 HB3 PHE 27 HB3 PHE 27 -3.969 -1.172 -2.830 217 HD1 PHE 27 HD1 PHE 27 -3.850 0.156 0.342 218 HD2 PHE 27 HD2 PHE 27 -1.289 -0.384 -3.052 219 HE1 PHE 27 HE1 PHE 27 -2.539 2.140 0.984 220 HE2 PHE 27 HE2 PHE 27 -0.025 1.601 -2.396 221 HZ PHE 27 HZ PHE 27 -0.637 2.862 -0.378 222 H SER 28 H SER 28 -2.915 -3.889 -0.767 223 HA SER 28 HA SER 28 -2.034 -3.752 1.915 224 HB2 SER 28 HB2 SER 28 -3.173 -5.863 2.790 225 HB3 SER 28 HB3 SER 28 -4.280 -4.514 2.556 226 HG SER 28 HG SER 28 -4.181 -5.887 0.285 227 H SER 29 H SER 29 -0.375 -5.392 2.334 228 HA SER 29 HA SER 29 0.226 -7.645 1.188 229 HB2 SER 29 HB2 SER 29 1.809 -7.224 -0.753 230 HB3 SER 29 HB3 SER 29 0.103 -6.949 -1.107 231 HG SER 29 HG SER 29 0.497 -4.710 -0.690 232 H GLU 30 H GLU 30 2.622 -5.033 0.671 233 HA GLU 30 HA GLU 30 4.595 -6.849 1.522 234 HB2 GLU 30 HB2 GLU 30 4.885 -5.083 -0.228 235 HB3 GLU 30 HB3 GLU 30 4.913 -3.872 1.044 236 HG2 GLU 30 HG2 GLU 30 7.164 -4.322 0.316 237 HG3 GLU 30 HG3 GLU 30 6.960 -4.887 1.969 238 H GLY 31 H GLY 31 3.484 -3.829 3.148 239 HA2 GLY 31 HA2 GLY 31 3.957 -2.864 5.192 240 HA3 GLY 31 HA3 GLY 31 4.278 -4.487 5.771 241 H TYR 32 H TYR 32 6.150 -3.732 3.191 242 HA TYR 32 HA TYR 32 8.267 -3.237 2.679 243 HB2 TYR 32 HB2 TYR 32 7.959 -1.093 3.964 244 HB3 TYR 32 HB3 TYR 32 8.600 -1.910 5.392 245 HD1 TYR 32 HD1 TYR 32 9.463 -0.969 1.872 246 HD2 TYR 32 HD2 TYR 32 10.996 -2.071 5.704 247 HE1 TYR 32 HE1 TYR 32 11.740 -0.480 1.100 248 HE2 TYR 32 HE2 TYR 32 13.273 -1.571 4.936 249 HH TYR 32 HH TYR 32 14.509 -1.434 2.809 250 H LYS 33 H LYS 33 8.616 -3.857 6.230 251 HA LYS 33 HA LYS 33 9.462 -6.558 5.901 252 HB2 LYS 33 HB2 LYS 33 11.499 -5.416 4.987 253 HB3 LYS 33 HB3 LYS 33 11.687 -4.561 6.511 254 HG2 LYS 33 HG2 LYS 33 13.257 -6.384 6.467 255 HG3 LYS 33 HG3 LYS 33 12.015 -6.769 7.665 256 HD2 LYS 33 HD2 LYS 33 10.892 -8.238 5.999 257 HD3 LYS 33 HD3 LYS 33 12.153 -7.855 4.822 258 HE2 LYS 33 HE2 LYS 33 13.840 -8.865 6.396 259 HE3 LYS 33 HE3 LYS 33 12.505 -9.345 7.448 260 HZ1 LYS 33 HZ1 LYS 33 11.626 -10.702 5.664 261 HZ2 LYS 33 HZ2 LYS 33 13.220 -11.144 5.997 262 HZ3 LYS 33 HZ3 LYS 33 12.873 -10.211 4.631 263 H ALA 34 H ALA 34 10.685 -4.041 8.156 264 HA ALA 34 HA ALA 34 9.726 -5.678 10.458 265 HB1 ALA 34 HB1 ALA 34 12.176 -5.592 10.259 266 HB2 ALA 34 HB2 ALA 34 11.638 -4.724 11.699 267 HB3 ALA 34 HB3 ALA 34 12.124 -3.825 10.260 268 H LYS 35 H LYS 35 9.337 -4.178 12.582 269 HA LYS 35 HA LYS 35 7.208 -2.526 11.835 270 HB2 LYS 35 HB2 LYS 35 6.912 -1.987 14.187 271 HB3 LYS 35 HB3 LYS 35 7.157 -3.702 13.951 272 HG2 LYS 35 HG2 LYS 35 9.403 -1.896 14.885 273 HG3 LYS 35 HG3 LYS 35 8.226 -2.593 16.004 274 HD2 LYS 35 HD2 LYS 35 8.864 -4.871 15.136 275 HD3 LYS 35 HD3 LYS 35 10.143 -4.097 14.198 276 HE2 LYS 35 HE2 LYS 35 11.166 -3.275 16.303 277 HE3 LYS 35 HE3 LYS 35 9.881 -4.053 17.226 278 HZ1 LYS 35 HZ1 LYS 35 10.626 -6.188 16.364 279 HZ2 LYS 35 HZ2 LYS 35 11.860 -5.403 17.201 280 HZ3 LYS 35 HZ3 LYS 35 11.873 -5.434 15.512 281 H ALA 36 H ALA 36 10.416 -1.619 13.145 282 HA ALA 36 HA ALA 36 10.107 1.121 13.294 283 HB1 ALA 36 HB1 ALA 36 12.100 -0.048 14.123 284 HB2 ALA 36 HB2 ALA 36 12.566 1.281 13.065 285 HB3 ALA 36 HB3 ALA 36 12.615 -0.383 12.470 286 H SER 37 H SER 37 11.121 -0.804 10.501 287 HA SER 37 HA SER 37 11.405 1.399 8.680 288 HB2 SER 37 HB2 SER 37 11.252 -1.598 8.151 289 HB3 SER 37 HB3 SER 37 11.819 -0.371 7.014 290 HG SER 37 HG SER 37 13.243 0.033 9.141 291 H ALA 38 H ALA 38 8.804 -0.683 9.678 292 HA ALA 38 HA ALA 38 7.082 -0.439 7.450 293 HB1 ALA 38 HB1 ALA 38 5.318 -1.288 8.948 294 HB2 ALA 38 HB2 ALA 38 6.366 -1.024 10.346 295 HB3 ALA 38 HB3 ALA 38 6.805 -2.221 9.127 296 H ILE 39 H ILE 39 6.960 1.198 10.667 297 HA ILE 39 HA ILE 39 5.058 3.125 10.043 298 HB ILE 39 HB ILE 39 7.298 3.138 12.110 299 HG12 ILE 39 HG12 ILE 39 5.287 3.051 13.709 300 HG13 ILE 39 HG13 ILE 39 4.259 2.828 12.299 301 HG21 ILE 39 HG21 ILE 39 6.293 5.164 13.139 302 HG22 ILE 39 HG22 ILE 39 5.206 5.318 11.755 303 HG23 ILE 39 HG23 ILE 39 6.950 5.495 11.537 304 HD11 ILE 39 HD11 ILE 39 4.707 0.747 13.448 305 HD12 ILE 39 HD12 ILE 39 6.443 0.958 13.205 306 HD13 ILE 39 HD13 ILE 39 5.377 0.722 11.817 307 H HIS 40 H HIS 40 8.638 3.303 9.764 308 HA HIS 40 HA HIS 40 8.849 5.968 8.940 309 HB2 HIS 40 HB2 HIS 40 10.655 3.575 8.645 310 HB3 HIS 40 HB3 HIS 40 11.047 5.017 7.715 311 HD1 HIS 40 HD1 HIS 40 12.408 6.716 8.893 312 HD2 HIS 40 HD2 HIS 40 10.421 4.250 11.574 313 HE1 HIS 40 HE1 HIS 40 13.176 7.439 11.159 314 HE2 HIS 40 HE2 HIS 40 11.790 6.097 12.756 315 H ALA 41 H ALA 41 8.260 3.059 6.946 316 HA ALA 41 HA ALA 41 8.225 4.270 4.428 317 HB1 ALA 41 HB1 ALA 41 6.883 2.354 3.714 318 HB2 ALA 41 HB2 ALA 41 6.489 1.959 5.393 319 HB3 ALA 41 HB3 ALA 41 8.148 1.807 4.818 320 H ILE 42 H ILE 42 5.535 3.640 6.687 321 HA ILE 42 HA ILE 42 3.544 4.992 5.238 322 HB ILE 42 HB ILE 42 3.692 4.389 8.216 323 HG12 ILE 42 HG12 ILE 42 2.279 2.840 5.979 324 HG13 ILE 42 HG13 ILE 42 3.885 2.431 6.568 325 HG21 ILE 42 HG21 ILE 42 1.216 4.582 8.213 326 HG22 ILE 42 HG22 ILE 42 1.257 5.104 6.527 327 HG23 ILE 42 HG23 ILE 42 1.981 6.114 7.780 328 HD11 ILE 42 HD11 ILE 42 2.173 1.000 7.490 329 HD12 ILE 42 HD12 ILE 42 1.365 2.395 8.207 330 HD13 ILE 42 HD13 ILE 42 2.985 1.932 8.745 331 H GLU 43 H GLU 43 6.110 6.274 7.192 332 HA GLU 43 HA GLU 43 4.864 8.760 7.868 333 HB2 GLU 43 HB2 GLU 43 7.808 8.004 7.780 334 HB3 GLU 43 HB3 GLU 43 7.221 9.577 8.320 335 HG2 GLU 43 HG2 GLU 43 5.852 8.338 10.073 336 HG3 GLU 43 HG3 GLU 43 6.725 6.882 9.614 337 H SER 44 H SER 44 6.820 7.553 5.147 338 HA SER 44 HA SER 44 7.125 9.875 3.628 339 HB2 SER 44 HB2 SER 44 6.774 6.975 2.904 340 HB3 SER 44 HB3 SER 44 6.772 8.171 1.610 341 HG SER 44 HG SER 44 8.847 8.559 1.971 342 H ILE 45 H ILE 45 4.256 7.870 4.097 343 HA ILE 45 HA ILE 45 2.807 8.956 1.914 344 HB ILE 45 HB ILE 45 1.306 7.799 4.298 345 HG12 ILE 45 HG12 ILE 45 3.301 6.262 3.829 346 HG13 ILE 45 HG13 ILE 45 1.723 5.511 3.650 347 HG21 ILE 45 HG21 ILE 45 0.989 7.596 1.278 348 HG22 ILE 45 HG22 ILE 45 0.052 8.642 2.362 349 HG23 ILE 45 HG23 ILE 45 -0.118 6.889 2.474 350 HD11 ILE 45 HD11 ILE 45 3.515 6.458 1.420 351 HD12 ILE 45 HD12 ILE 45 1.918 5.732 1.211 352 HD13 ILE 45 HD13 ILE 45 3.226 4.791 1.918 353 H LYS 46 H LYS 46 2.981 9.660 5.391 354 HA LYS 46 HA LYS 46 1.037 11.748 5.433 355 HB2 LYS 46 HB2 LYS 46 3.163 10.916 7.445 356 HB3 LYS 46 HB3 LYS 46 2.132 12.317 7.722 357 HG2 LYS 46 HG2 LYS 46 1.188 10.417 8.892 358 HG3 LYS 46 HG3 LYS 46 0.120 10.869 7.562 359 HD2 LYS 46 HD2 LYS 46 1.607 9.015 6.286 360 HD3 LYS 46 HD3 LYS 46 1.785 8.404 7.923 361 HE2 LYS 46 HE2 LYS 46 -0.882 8.989 6.673 362 HE3 LYS 46 HE3 LYS 46 -0.052 7.455 6.452 363 HZ1 LYS 46 HZ1 LYS 46 -1.639 7.327 8.244 364 HZ2 LYS 46 HZ2 LYS 46 -0.901 8.619 9.046 365 HZ3 LYS 46 HZ3 LYS 46 -0.072 7.156 8.861 366 H ARG 47 H ARG 47 4.213 11.686 4.355 367 HA ARG 47 HA ARG 47 4.946 14.421 4.904 368 HB2 ARG 47 HB2 ARG 47 6.074 12.586 2.747 369 HB3 ARG 47 HB3 ARG 47 6.765 14.135 3.219 370 HG2 ARG 47 HG2 ARG 47 6.630 11.592 4.853 371 HG3 ARG 47 HG3 ARG 47 8.065 12.416 4.249 372 HD2 ARG 47 HD2 ARG 47 7.769 14.229 5.807 373 HD3 ARG 47 HD3 ARG 47 6.170 13.645 6.285 374 HE ARG 47 HE ARG 47 8.600 12.042 6.782 375 HH11 ARG 47 HH11 ARG 47 5.694 13.566 8.040 376 HH12 ARG 47 HH12 ARG 47 5.922 12.946 9.645 377 HH21 ARG 47 HH21 ARG 47 8.877 11.220 8.875 378 HH22 ARG 47 HH22 ARG 47 7.728 11.607 10.117 379 H ASN 48 H ASN 48 3.754 12.841 1.938 380 HA ASN 48 HA ASN 48 2.404 15.161 0.936 381 HB2 ASN 48 HB2 ASN 48 4.820 15.909 0.711 382 HB3 ASN 48 HB3 ASN 48 5.068 14.612 -0.449 383 HD21 ASN 48 HD21 ASN 48 5.584 15.961 -2.139 384 HD22 ASN 48 HD22 ASN 48 4.427 16.979 -2.915 385 H SER 49 H SER 49 2.296 12.063 1.044 386 HA SER 49 HA SER 49 2.344 11.125 -1.649 387 HB2 SER 49 HB2 SER 49 2.515 9.658 0.347 388 HB3 SER 49 HB3 SER 49 0.802 9.917 0.665 389 HG SER 49 HG SER 49 1.901 8.133 -0.922 390 H ALA 50 H ALA 50 -0.318 12.368 0.397 391 HA ALA 50 HA ALA 50 -2.397 11.982 -1.444 392 HB1 ALA 50 HB1 ALA 50 -2.793 12.587 0.892 393 HB2 ALA 50 HB2 ALA 50 -3.608 13.720 -0.188 394 HB3 ALA 50 HB3 ALA 50 -2.106 14.188 0.615 395 H GLY 51 H GLY 51 0.108 14.410 -1.291 396 HA2 GLY 51 HA2 GLY 51 -1.016 16.006 -3.490 397 HA3 GLY 51 HA3 GLY 51 0.396 16.397 -2.519 398 H ALA 52 H ALA 52 0.881 13.255 -3.195 399 HA ALA 52 HA ALA 52 2.831 13.692 -5.226 400 HB1 ALA 52 HB1 ALA 52 1.709 11.067 -4.171 401 HB2 ALA 52 HB2 ALA 52 3.097 11.932 -3.509 402 HB3 ALA 52 HB3 ALA 52 3.184 11.250 -5.135 403 H ASP 53 H ASP 53 2.887 12.420 -7.268 404 HA ASP 53 HA ASP 53 0.351 12.703 -8.719 405 HB2 ASP 53 HB2 ASP 53 2.515 13.755 -9.539 406 HB3 ASP 53 HB3 ASP 53 3.134 12.134 -9.827 407 H THR 54 H THR 54 -0.284 11.033 -10.256 408 HA THR 54 HA THR 54 0.414 8.266 -9.444 409 HB THR 54 HB THR 54 -2.139 9.255 -10.817 410 HG1 THR 54 HG1 THR 54 -2.845 9.656 -8.879 411 HG21 THR 54 HG21 THR 54 -3.051 7.012 -10.263 412 HG22 THR 54 HG22 THR 54 -1.484 6.526 -9.613 413 HG23 THR 54 HG23 THR 54 -1.654 6.877 -11.334 414 H VAL 55 H VAL 55 2.070 7.790 -10.788 415 HA VAL 55 HA VAL 55 1.950 8.313 -13.693 416 HB VAL 55 HB VAL 55 4.248 7.407 -11.885 417 HG11 VAL 55 HG11 VAL 55 4.559 6.405 -14.093 418 HG12 VAL 55 HG12 VAL 55 5.734 7.699 -13.855 419 HG13 VAL 55 HG13 VAL 55 4.315 7.969 -14.871 420 HG21 VAL 55 HG21 VAL 55 3.628 9.777 -11.588 421 HG22 VAL 55 HG22 VAL 55 3.818 10.055 -13.322 422 HG23 VAL 55 HG23 VAL 55 5.218 9.622 -12.338 423 H ASP 56 H ASP 56 1.424 6.667 -15.036 424 HA ASP 56 HA ASP 56 1.703 3.860 -14.126 425 HB2 ASP 56 HB2 ASP 56 -0.608 4.718 -14.800 426 HB3 ASP 56 HB3 ASP 56 -0.016 4.824 -16.450 427 H LEU 57 H LEU 57 3.558 3.092 -14.772 428 HA LEU 57 HA LEU 57 5.076 3.878 -17.046 429 HB2 LEU 57 HB2 LEU 57 5.415 1.384 -15.347 430 HB3 LEU 57 HB3 LEU 57 6.644 2.163 -16.334 431 HG LEU 57 HG LEU 57 5.415 3.331 -13.798 432 HD11 LEU 57 HD11 LEU 57 6.851 1.425 -13.308 433 HD12 LEU 57 HD12 LEU 57 7.619 2.922 -12.783 434 HD13 LEU 57 HD13 LEU 57 8.159 2.128 -14.266 435 HD21 LEU 57 HD21 LEU 57 6.061 5.114 -15.356 436 HD22 LEU 57 HD22 LEU 57 7.671 4.408 -15.535 437 HD23 LEU 57 HD23 LEU 57 7.159 5.066 -13.979 438 H THR 58 H THR 58 2.555 1.370 -16.671 439 HA THR 58 HA THR 58 3.907 -0.384 -18.640 440 HB THR 58 HB THR 58 3.247 -1.403 -16.461 441 HG1 THR 58 HG1 THR 58 2.084 -2.422 -18.856 442 HG21 THR 58 HG21 THR 58 0.896 -1.925 -16.000 443 HG22 THR 58 HG22 THR 58 0.391 -0.993 -17.410 444 HG23 THR 58 HG23 THR 58 1.149 -0.179 -16.037 445 H THR 59 H THR 59 1.743 2.074 -18.785 446 HA THR 59 HA THR 59 0.240 0.843 -21.031 447 HB THR 59 HB THR 59 -1.628 2.413 -20.590 448 HG1 THR 59 HG1 THR 59 -0.032 3.188 -18.361 449 HG21 THR 59 HG21 THR 59 -0.893 0.786 -18.127 450 HG22 THR 59 HG22 THR 59 -1.691 0.147 -19.568 451 HG23 THR 59 HG23 THR 59 -2.507 1.343 -18.563 452 H MET 60 H MET 60 2.812 2.491 -20.466 453 HA MET 60 HA MET 60 2.749 4.716 -22.235 454 HB2 MET 60 HB2 MET 60 4.527 4.367 -20.535 455 HB3 MET 60 HB3 MET 60 5.036 2.895 -21.343 456 HG2 MET 60 HG2 MET 60 5.722 4.239 -23.316 457 HG3 MET 60 HG3 MET 60 5.264 5.706 -22.440 458 HE1 MET 60 HE1 MET 60 6.251 4.923 -19.436 459 HE2 MET 60 HE2 MET 60 6.518 6.508 -20.166 460 HE3 MET 60 HE3 MET 60 7.868 5.626 -19.446 461 H THR 61 H THR 61 3.454 1.264 -22.578 462 HA THR 61 HA THR 61 3.124 1.417 -25.506 463 HB THR 61 HB THR 61 5.208 -0.225 -24.068 464 HG1 THR 61 HG1 THR 61 5.669 1.899 -25.891 465 HG21 THR 61 HG21 THR 61 6.061 -0.807 -26.321 466 HG22 THR 61 HG22 THR 61 4.703 0.052 -27.048 467 HG23 THR 61 HG23 THR 61 4.414 -1.400 -26.087 468 H ALA 62 H ALA 62 3.575 -1.005 -22.915 469 HA ALA 62 HA ALA 62 1.044 -2.289 -23.272 470 HB1 ALA 62 HB1 ALA 62 2.155 -3.113 -25.324 471 HB2 ALA 62 HB2 ALA 62 1.850 -4.432 -24.195 472 HB3 ALA 62 HB3 ALA 62 3.479 -3.768 -24.357 473 H MET 1 H MET 1 10.066 15.293 -8.270 474 HA MET 1 HA MET 1 9.153 15.388 -6.087 475 HB2 MET 1 HB2 MET 1 7.223 16.881 -6.703 476 HB3 MET 1 HB3 MET 1 6.434 15.518 -7.482 477 HG2 MET 1 HG2 MET 1 6.385 14.358 -5.251 478 HG3 MET 1 HG3 MET 1 7.020 15.835 -4.525 479 HE1 MET 1 HE1 MET 1 5.631 18.144 -4.373 480 HE2 MET 1 HE2 MET 1 4.074 18.376 -5.166 481 HE3 MET 1 HE3 MET 1 5.528 18.145 -6.135 482 H TYR 2 H TYR 2 8.467 13.418 -5.006 483 HA TYR 2 HA TYR 2 8.559 11.016 -6.558 484 HB2 TYR 2 HB2 TYR 2 8.004 9.876 -4.380 485 HB3 TYR 2 HB3 TYR 2 9.473 10.826 -4.407 486 HD1 TYR 2 HD1 TYR 2 5.826 11.471 -3.538 487 HD2 TYR 2 HD2 TYR 2 9.919 11.912 -2.406 488 HE1 TYR 2 HE1 TYR 2 5.139 12.527 -1.424 489 HE2 TYR 2 HE2 TYR 2 9.235 12.955 -0.309 490 HH TYR 2 HH TYR 2 7.340 14.115 0.641 491 H LYS 3 H LYS 3 6.773 9.273 -6.052 492 HA LYS 3 HA LYS 3 4.084 10.025 -6.320 493 HB2 LYS 3 HB2 LYS 3 3.950 9.540 -8.905 494 HB3 LYS 3 HB3 LYS 3 4.426 11.137 -8.366 495 HG2 LYS 3 HG2 LYS 3 5.802 10.526 -10.229 496 HG3 LYS 3 HG3 LYS 3 6.816 10.536 -8.785 497 HD2 LYS 3 HD2 LYS 3 6.695 8.054 -8.698 498 HD3 LYS 3 HD3 LYS 3 5.668 8.060 -10.138 499 HE2 LYS 3 HE2 LYS 3 7.990 7.531 -10.735 500 HE3 LYS 3 HE3 LYS 3 7.507 9.073 -11.444 501 HZ1 LYS 3 HZ1 LYS 3 9.725 9.158 -10.489 502 HZ2 LYS 3 HZ2 LYS 3 9.122 8.743 -8.968 503 HZ3 LYS 3 HZ3 LYS 3 8.688 10.216 -9.674 504 H PHE 4 H PHE 4 2.995 8.198 -7.905 505 HA PHE 4 HA PHE 4 3.882 5.590 -6.830 506 HB2 PHE 4 HB2 PHE 4 1.155 6.589 -7.765 507 HB3 PHE 4 HB3 PHE 4 1.497 4.881 -7.505 508 HD1 PHE 4 HD1 PHE 4 1.319 8.191 -5.784 509 HD2 PHE 4 HD2 PHE 4 1.457 3.940 -5.306 510 HE1 PHE 4 HE1 PHE 4 0.776 8.431 -3.396 511 HE2 PHE 4 HE2 PHE 4 0.920 4.191 -2.919 512 HZ PHE 4 HZ PHE 4 0.579 6.436 -1.963 513 H GLU 5 H GLU 5 4.792 4.293 -8.220 514 HA GLU 5 HA GLU 5 4.570 4.702 -11.136 515 HB2 GLU 5 HB2 GLU 5 6.557 3.025 -9.532 516 HB3 GLU 5 HB3 GLU 5 6.552 3.195 -11.283 517 HG2 GLU 5 HG2 GLU 5 6.854 5.708 -10.881 518 HG3 GLU 5 HG3 GLU 5 7.180 5.290 -9.201 519 H ILE 6 H ILE 6 3.005 3.487 -12.092 520 HA ILE 6 HA ILE 6 2.148 0.944 -10.861 521 HB ILE 6 HB ILE 6 0.701 2.499 -13.060 522 HG12 ILE 6 HG12 ILE 6 -0.071 2.563 -10.111 523 HG13 ILE 6 HG13 ILE 6 0.905 3.819 -10.866 524 HG21 ILE 6 HG21 ILE 6 -1.240 1.085 -12.432 525 HG22 ILE 6 HG22 ILE 6 -0.267 0.278 -11.200 526 HG23 ILE 6 HG23 ILE 6 0.142 0.089 -12.909 527 HD11 ILE 6 HD11 ILE 6 -1.899 3.039 -11.646 528 HD12 ILE 6 HD12 ILE 6 -0.927 4.299 -12.415 529 HD13 ILE 6 HD13 ILE 6 -1.419 4.465 -10.731 530 H TYR 7 H TYR 7 2.958 -0.745 -11.845 531 HA TYR 7 HA TYR 7 3.309 -0.814 -14.764 532 HB2 TYR 7 HB2 TYR 7 5.424 -2.138 -14.436 533 HB3 TYR 7 HB3 TYR 7 5.560 -0.465 -13.912 534 HD1 TYR 7 HD1 TYR 7 5.454 0.070 -11.424 535 HD2 TYR 7 HD2 TYR 7 5.820 -3.944 -12.872 536 HE1 TYR 7 HE1 TYR 7 6.217 -0.652 -9.206 537 HE2 TYR 7 HE2 TYR 7 6.593 -4.664 -10.641 538 HH TYR 7 HH TYR 7 6.323 -2.708 -7.855 539 H GLN 8 H GLN 8 3.728 -3.363 -15.269 540 HA GLN 8 HA GLN 8 2.079 -4.963 -13.392 541 HB2 GLN 8 HB2 GLN 8 0.815 -5.880 -15.077 542 HB3 GLN 8 HB3 GLN 8 1.218 -4.387 -15.911 543 HG2 GLN 8 HG2 GLN 8 3.118 -5.593 -17.006 544 HG3 GLN 8 HG3 GLN 8 2.557 -7.076 -16.247 545 HE21 GLN 8 HE21 GLN 8 -0.304 -6.418 -16.645 546 HE22 GLN 8 HE22 GLN 8 -0.595 -6.673 -18.327 547 H ASP 9 H ASP 9 2.725 -7.096 -13.043 548 HA ASP 9 HA ASP 9 5.556 -7.664 -13.538 549 HB2 ASP 9 HB2 ASP 9 5.531 -8.908 -11.564 550 HB3 ASP 9 HB3 ASP 9 4.290 -7.745 -11.202 551 H LYS 10 H LYS 10 5.979 -10.100 -13.728 552 HA LYS 10 HA LYS 10 5.395 -11.064 -16.193 553 HB2 LYS 10 HB2 LYS 10 6.211 -13.319 -15.297 554 HB3 LYS 10 HB3 LYS 10 7.284 -11.948 -15.109 555 HG2 LYS 10 HG2 LYS 10 7.487 -13.138 -13.100 556 HG3 LYS 10 HG3 LYS 10 6.446 -11.779 -12.696 557 HD2 LYS 10 HD2 LYS 10 5.680 -13.863 -11.627 558 HD3 LYS 10 HD3 LYS 10 4.477 -13.256 -12.766 559 HE2 LYS 10 HE2 LYS 10 4.678 -15.680 -12.966 560 HE3 LYS 10 HE3 LYS 10 5.246 -14.903 -14.440 561 HZ1 LYS 10 HZ1 LYS 10 6.692 -16.719 -13.730 562 HZ2 LYS 10 HZ2 LYS 10 6.993 -15.928 -12.269 563 HZ3 LYS 10 HZ3 LYS 10 7.513 -15.243 -13.721 564 H ALA 11 H ALA 11 3.445 -11.573 -13.332 565 HA ALA 11 HA ALA 11 1.795 -13.715 -14.341 566 HB1 ALA 11 HB1 ALA 11 0.433 -13.315 -12.326 567 HB2 ALA 11 HB2 ALA 11 1.305 -11.808 -12.022 568 HB3 ALA 11 HB3 ALA 11 2.153 -13.354 -11.924 569 H GLY 12 H GLY 12 2.015 -10.707 -15.526 570 HA2 GLY 12 HA2 GLY 12 0.739 -9.245 -16.693 571 HA3 GLY 12 HA3 GLY 12 -0.442 -10.536 -16.835 572 H GLU 13 H GLU 13 0.796 -8.923 -13.920 573 HA GLU 13 HA GLU 13 -1.984 -7.981 -13.324 574 HB2 GLU 13 HB2 GLU 13 -0.100 -9.237 -11.296 575 HB3 GLU 13 HB3 GLU 13 -1.679 -8.539 -10.946 576 HG2 GLU 13 HG2 GLU 13 -2.704 -10.311 -12.382 577 HG3 GLU 13 HG3 GLU 13 -1.106 -11.042 -12.549 578 H TYR 14 H TYR 14 -1.990 -6.160 -11.667 579 HA TYR 14 HA TYR 14 0.134 -4.334 -12.582 580 HB2 TYR 14 HB2 TYR 14 -2.710 -3.828 -11.635 581 HB3 TYR 14 HB3 TYR 14 -1.531 -2.523 -11.763 582 HD1 TYR 14 HD1 TYR 14 -3.204 -5.210 -13.781 583 HD2 TYR 14 HD2 TYR 14 -1.119 -1.484 -13.865 584 HE1 TYR 14 HE1 TYR 14 -3.674 -4.999 -16.189 585 HE2 TYR 14 HE2 TYR 14 -1.603 -1.271 -16.258 586 HH TYR 14 HH TYR 14 -3.858 -3.158 -17.878 587 H ARG 15 H ARG 15 1.413 -3.402 -11.224 588 HA ARG 15 HA ARG 15 1.376 -3.975 -8.319 589 HB2 ARG 15 HB2 ARG 15 3.574 -4.266 -10.377 590 HB3 ARG 15 HB3 ARG 15 4.029 -3.833 -8.747 591 HG2 ARG 15 HG2 ARG 15 4.371 -6.199 -9.189 592 HG3 ARG 15 HG3 ARG 15 3.216 -5.950 -7.897 593 HD2 ARG 15 HD2 ARG 15 2.144 -6.402 -10.655 594 HD3 ARG 15 HD3 ARG 15 2.852 -7.777 -9.810 595 HE ARG 15 HE ARG 15 0.719 -6.187 -8.580 596 HH11 ARG 15 HH11 ARG 15 1.814 -9.295 -9.745 597 HH12 ARG 15 HH12 ARG 15 0.435 -10.147 -9.126 598 HH21 ARG 15 HH21 ARG 15 -1.083 -7.315 -7.774 599 HH22 ARG 15 HH22 ARG 15 -1.181 -9.032 -7.988 600 H PHE 16 H PHE 16 1.822 -2.180 -6.989 601 HA PHE 16 HA PHE 16 2.560 0.394 -8.284 602 HB2 PHE 16 HB2 PHE 16 1.734 0.017 -5.378 603 HB3 PHE 16 HB3 PHE 16 1.862 1.529 -6.265 604 HD1 PHE 16 HD1 PHE 16 0.269 0.697 -8.725 605 HD2 PHE 16 HD2 PHE 16 -0.404 0.198 -4.537 606 HE1 PHE 16 HE1 PHE 16 -2.142 0.682 -9.093 607 HE2 PHE 16 HE2 PHE 16 -2.826 0.173 -4.914 608 HZ PHE 16 HZ PHE 16 -3.699 0.413 -7.197 609 H ARG 17 H ARG 17 4.411 1.545 -7.565 610 HA ARG 17 HA ARG 17 5.409 0.854 -4.880 611 HB2 ARG 17 HB2 ARG 17 7.749 1.269 -5.585 612 HB3 ARG 17 HB3 ARG 17 7.039 -0.130 -6.371 613 HG2 ARG 17 HG2 ARG 17 6.706 1.220 -8.426 614 HG3 ARG 17 HG3 ARG 17 7.497 2.587 -7.630 615 HD2 ARG 17 HD2 ARG 17 9.036 1.320 -9.108 616 HD3 ARG 17 HD3 ARG 17 9.573 1.318 -7.422 617 HE ARG 17 HE ARG 17 8.127 -0.949 -8.667 618 HH11 ARG 17 HH11 ARG 17 10.813 0.173 -6.725 619 HH12 ARG 17 HH12 ARG 17 11.314 -1.433 -6.300 620 HH21 ARG 17 HH21 ARG 17 8.764 -3.017 -8.095 621 HH22 ARG 17 HH22 ARG 17 10.148 -3.236 -7.074 622 H PHE 18 H PHE 18 5.662 2.556 -3.570 623 HA PHE 18 HA PHE 18 5.254 5.292 -4.662 624 HB2 PHE 18 HB2 PHE 18 3.720 4.707 -2.764 625 HB3 PHE 18 HB3 PHE 18 5.120 4.423 -1.733 626 HD1 PHE 18 HD1 PHE 18 4.542 7.222 -4.170 627 HD2 PHE 18 HD2 PHE 18 4.866 6.087 -0.064 628 HE1 PHE 18 HE1 PHE 18 4.462 9.581 -3.505 629 HE2 PHE 18 HE2 PHE 18 4.764 8.450 0.606 630 HZ PHE 18 HZ PHE 18 4.596 10.198 -1.125 631 H LYS 19 H LYS 19 6.851 6.664 -4.720 632 HA LYS 19 HA LYS 19 9.546 5.681 -4.121 633 HB2 LYS 19 HB2 LYS 19 8.549 7.887 -5.988 634 HB3 LYS 19 HB3 LYS 19 10.227 7.351 -5.842 635 HG2 LYS 19 HG2 LYS 19 7.896 5.623 -6.778 636 HG3 LYS 19 HG3 LYS 19 9.125 6.354 -7.825 637 HD2 LYS 19 HD2 LYS 19 9.782 4.393 -5.572 638 HD3 LYS 19 HD3 LYS 19 9.526 3.888 -7.238 639 HE2 LYS 19 HE2 LYS 19 11.592 5.967 -6.507 640 HE3 LYS 19 HE3 LYS 19 11.957 4.250 -6.459 641 HZ1 LYS 19 HZ1 LYS 19 11.013 5.756 -8.831 642 HZ2 LYS 19 HZ2 LYS 19 11.382 4.111 -8.795 643 HZ3 LYS 19 HZ3 LYS 19 12.602 5.258 -8.552 644 H ALA 20 H ALA 20 11.138 7.600 -3.921 645 HA ALA 20 HA ALA 20 10.250 9.670 -2.016 646 HB1 ALA 20 HB1 ALA 20 12.797 8.020 -1.820 647 HB2 ALA 20 HB2 ALA 20 11.392 7.879 -0.758 648 HB3 ALA 20 HB3 ALA 20 12.353 9.359 -0.759 649 H SER 21 H SER 21 11.591 11.617 -2.083 650 HA SER 21 HA SER 21 12.186 12.708 -4.480 651 HB2 SER 21 HB2 SER 21 13.618 13.403 -1.888 652 HB3 SER 21 HB3 SER 21 13.340 14.482 -3.258 653 HG SER 21 HG SER 21 11.811 14.239 -1.208 654 H ASN 22 H ASN 22 14.438 10.774 -2.532 655 HA ASN 22 HA ASN 22 16.801 11.306 -4.109 656 HB2 ASN 22 HB2 ASN 22 16.192 9.203 -2.004 657 HB3 ASN 22 HB3 ASN 22 17.763 9.360 -2.777 658 HD21 ASN 22 HD21 ASN 22 18.617 9.662 -0.703 659 HD22 ASN 22 HD22 ASN 22 18.512 11.178 0.119 660 H GLY 23 H GLY 23 14.098 9.534 -4.857 661 HA2 GLY 23 HA2 GLY 23 13.661 8.058 -6.583 662 HA3 GLY 23 HA3 GLY 23 15.384 7.835 -6.821 663 H GLU 24 H GLU 24 14.551 7.516 -3.580 664 HA GLU 24 HA GLU 24 14.914 4.663 -3.461 665 HB2 GLU 24 HB2 GLU 24 13.890 6.557 -1.306 666 HB3 GLU 24 HB3 GLU 24 14.529 4.935 -1.039 667 HG2 GLU 24 HG2 GLU 24 16.759 5.636 -1.669 668 HG3 GLU 24 HG3 GLU 24 16.164 7.207 -2.212 669 H THR 25 H THR 25 13.292 3.220 -2.361 670 HA THR 25 HA THR 25 10.457 3.939 -2.872 671 HB THR 25 HB THR 25 11.609 1.153 -3.377 672 HG1 THR 25 HG1 THR 25 12.397 2.770 -4.858 673 HG21 THR 25 HG21 THR 25 9.483 0.742 -4.535 674 HG22 THR 25 HG22 THR 25 8.949 2.375 -4.144 675 HG23 THR 25 HG23 THR 25 9.194 1.198 -2.852 676 H MET 26 H MET 26 9.273 3.671 -1.166 677 HA MET 26 HA MET 26 10.444 2.466 1.266 678 HB2 MET 26 HB2 MET 26 8.591 3.944 2.401 679 HB3 MET 26 HB3 MET 26 10.071 4.681 1.807 680 HG2 MET 26 HG2 MET 26 8.145 6.041 1.246 681 HG3 MET 26 HG3 MET 26 8.894 5.423 -0.225 682 HE1 MET 26 HE1 MET 26 6.483 3.675 2.357 683 HE2 MET 26 HE2 MET 26 4.940 4.009 1.575 684 HE3 MET 26 HE3 MET 26 5.931 5.339 2.179 685 H PHE 27 H PHE 27 7.732 2.047 -0.933 686 HA PHE 27 HA PHE 27 7.740 -0.662 -0.037 687 HB2 PHE 27 HB2 PHE 27 5.559 -1.036 0.798 688 HB3 PHE 27 HB3 PHE 27 5.958 0.508 1.540 689 HD1 PHE 27 HD1 PHE 27 5.129 2.603 0.391 690 HD2 PHE 27 HD2 PHE 27 3.571 -1.242 -0.572 691 HE1 PHE 27 HE1 PHE 27 3.220 3.684 -0.660 692 HE2 PHE 27 HE2 PHE 27 1.652 -0.149 -1.668 693 HZ PHE 27 HZ PHE 27 1.474 2.310 -1.719 694 H SER 28 H SER 28 6.189 -1.972 -1.239 695 HA SER 28 HA SER 28 5.127 -1.314 -3.780 696 HB2 SER 28 HB2 SER 28 7.527 -0.943 -4.386 697 HB3 SER 28 HB3 SER 28 7.925 -2.575 -3.854 698 HG SER 28 HG SER 28 6.693 -3.380 -5.537 699 H SER 29 H SER 29 4.191 -3.242 -4.809 700 HA SER 29 HA SER 29 4.561 -5.784 -4.525 701 HB2 SER 29 HB2 SER 29 3.432 -5.002 -1.871 702 HB3 SER 29 HB3 SER 29 2.810 -6.484 -2.580 703 HG SER 29 HG SER 29 5.584 -6.048 -2.443 704 H GLU 30 H GLU 30 1.401 -4.615 -3.304 705 HA GLU 30 HA GLU 30 0.238 -6.681 -4.838 706 HB2 GLU 30 HB2 GLU 30 -1.885 -6.061 -3.890 707 HB3 GLU 30 HB3 GLU 30 -0.655 -5.935 -2.647 708 HG2 GLU 30 HG2 GLU 30 -1.850 -3.610 -4.166 709 HG3 GLU 30 HG3 GLU 30 -2.355 -4.140 -2.565 710 H GLY 31 H GLY 31 -0.022 -3.103 -5.347 711 HA2 GLY 31 HA2 GLY 31 -0.950 -1.863 -7.032 712 HA3 GLY 31 HA3 GLY 31 -0.670 -3.222 -8.092 713 H TYR 32 H TYR 32 -2.515 -4.069 -5.526 714 HA TYR 32 HA TYR 32 -4.636 -4.591 -5.013 715 HB2 TYR 32 HB2 TYR 32 -5.234 -2.214 -5.515 716 HB3 TYR 32 HB3 TYR 32 -5.499 -2.652 -7.199 717 HD1 TYR 32 HD1 TYR 32 -6.809 -3.033 -3.752 718 HD2 TYR 32 HD2 TYR 32 -7.571 -3.787 -7.881 719 HE1 TYR 32 HE1 TYR 32 -9.139 -3.593 -3.227 720 HE2 TYR 32 HE2 TYR 32 -9.900 -4.341 -7.353 721 HH TYR 32 HH TYR 32 -11.296 -3.708 -4.306 722 H LYS 33 H LYS 33 -4.961 -4.136 -8.590 723 HA LYS 33 HA LYS 33 -4.627 -6.894 -9.200 724 HB2 LYS 33 HB2 LYS 33 -6.874 -7.055 -8.120 725 HB3 LYS 33 HB3 LYS 33 -7.517 -5.906 -9.285 726 HG2 LYS 33 HG2 LYS 33 -8.116 -8.249 -9.828 727 HG3 LYS 33 HG3 LYS 33 -7.173 -7.485 -11.111 728 HD2 LYS 33 HD2 LYS 33 -5.132 -8.643 -10.297 729 HD3 LYS 33 HD3 LYS 33 -6.076 -9.403 -9.009 730 HE2 LYS 33 HE2 LYS 33 -6.546 -9.798 -11.983 731 HE3 LYS 33 HE3 LYS 33 -5.663 -10.913 -10.940 732 HZ1 LYS 33 HZ1 LYS 33 -7.986 -11.563 -11.327 733 HZ2 LYS 33 HZ2 LYS 33 -8.507 -10.157 -10.546 734 HZ3 LYS 33 HZ3 LYS 33 -7.640 -11.325 -9.691 735 H ALA 34 H ALA 34 -6.907 -4.510 -10.630 736 HA ALA 34 HA ALA 34 -5.508 -4.807 -13.248 737 HB1 ALA 34 HB1 ALA 34 -7.794 -5.743 -13.203 738 HB2 ALA 34 HB2 ALA 34 -7.699 -4.351 -14.284 739 HB3 ALA 34 HB3 ALA 34 -8.430 -4.178 -12.685 740 H LYS 35 H LYS 35 -5.861 -2.684 -14.748 741 HA LYS 35 HA LYS 35 -4.473 -0.656 -13.414 742 HB2 LYS 35 HB2 LYS 35 -4.223 -1.012 -15.806 743 HB3 LYS 35 HB3 LYS 35 -5.916 -0.626 -16.081 744 HG2 LYS 35 HG2 LYS 35 -5.395 1.700 -15.136 745 HG3 LYS 35 HG3 LYS 35 -3.689 1.259 -15.257 746 HD2 LYS 35 HD2 LYS 35 -3.892 0.994 -17.668 747 HD3 LYS 35 HD3 LYS 35 -5.635 1.249 -17.594 748 HE2 LYS 35 HE2 LYS 35 -4.508 3.272 -18.387 749 HE3 LYS 35 HE3 LYS 35 -5.252 3.571 -16.816 750 HZ1 LYS 35 HZ1 LYS 35 -3.119 4.518 -16.764 751 HZ2 LYS 35 HZ2 LYS 35 -2.392 3.146 -17.424 752 HZ3 LYS 35 HZ3 LYS 35 -2.994 3.095 -15.849 753 H ALA 36 H ALA 36 -7.880 -0.698 -14.560 754 HA ALA 36 HA ALA 36 -8.680 1.839 -13.798 755 HB1 ALA 36 HB1 ALA 36 -10.097 0.307 -15.106 756 HB2 ALA 36 HB2 ALA 36 -10.984 0.963 -13.731 757 HB3 ALA 36 HB3 ALA 36 -10.363 -0.692 -13.673 758 H SER 37 H SER 37 -8.689 -1.110 -11.836 759 HA SER 37 HA SER 37 -9.689 0.127 -9.442 760 HB2 SER 37 HB2 SER 37 -8.334 -2.574 -9.815 761 HB3 SER 37 HB3 SER 37 -9.347 -2.075 -8.457 762 HG SER 37 HG SER 37 -11.090 -2.347 -9.633 763 H ALA 38 H ALA 38 -6.566 -0.366 -10.871 764 HA ALA 38 HA ALA 38 -4.910 -0.212 -8.591 765 HB1 ALA 38 HB1 ALA 38 -4.280 0.478 -11.489 766 HB2 ALA 38 HB2 ALA 38 -4.099 -1.108 -10.735 767 HB3 ALA 38 HB3 ALA 38 -3.086 0.237 -10.213 768 H ILE 39 H ILE 39 -5.640 2.281 -11.086 769 HA ILE 39 HA ILE 39 -4.604 4.490 -9.767 770 HB ILE 39 HB ILE 39 -6.794 4.259 -11.869 771 HG12 ILE 39 HG12 ILE 39 -5.028 5.486 -13.274 772 HG13 ILE 39 HG13 ILE 39 -3.908 5.272 -11.934 773 HG21 ILE 39 HG21 ILE 39 -5.752 6.869 -10.702 774 HG22 ILE 39 HG22 ILE 39 -7.401 6.246 -10.591 775 HG23 ILE 39 HG23 ILE 39 -6.749 6.732 -12.155 776 HD11 ILE 39 HD11 ILE 39 -3.564 3.649 -13.706 777 HD12 ILE 39 HD12 ILE 39 -5.219 3.063 -13.507 778 HD13 ILE 39 HD13 ILE 39 -4.047 2.862 -12.202 779 H HIS 40 H HIS 40 -7.955 3.182 -9.684 780 HA HIS 40 HA HIS 40 -9.146 5.134 -8.079 781 HB2 HIS 40 HB2 HIS 40 -9.806 2.217 -8.529 782 HB3 HIS 40 HB3 HIS 40 -10.702 3.117 -7.315 783 HD1 HIS 40 HD1 HIS 40 -11.649 5.560 -8.433 784 HD2 HIS 40 HD2 HIS 40 -11.114 2.292 -10.920 785 HE1 HIS 40 HE1 HIS 40 -13.117 5.981 -10.412 786 HE2 HIS 40 HE2 HIS 40 -12.597 4.095 -11.994 787 H ALA 41 H ALA 41 -7.303 2.222 -7.072 788 HA ALA 41 HA ALA 41 -7.589 2.491 -4.305 789 HB1 ALA 41 HB1 ALA 41 -6.635 0.491 -5.422 790 HB2 ALA 41 HB2 ALA 41 -5.583 1.097 -4.142 791 HB3 ALA 41 HB3 ALA 41 -5.189 1.418 -5.837 792 H ILE 42 H ILE 42 -4.999 3.680 -6.458 793 HA ILE 42 HA ILE 42 -3.594 5.164 -4.535 794 HB ILE 42 HB ILE 42 -3.727 5.593 -7.539 795 HG12 ILE 42 HG12 ILE 42 -1.655 4.066 -5.890 796 HG13 ILE 42 HG13 ILE 42 -2.993 3.297 -6.742 797 HG21 ILE 42 HG21 ILE 42 -1.547 6.749 -7.321 798 HG22 ILE 42 HG22 ILE 42 -1.626 6.581 -5.564 799 HG23 ILE 42 HG23 ILE 42 -2.803 7.590 -6.410 800 HD11 ILE 42 HD11 ILE 42 -0.898 3.161 -7.948 801 HD12 ILE 42 HD12 ILE 42 -0.818 4.918 -8.038 802 HD13 ILE 42 HD13 ILE 42 -2.127 4.044 -8.848 803 H GLU 43 H GLU 43 -6.590 5.922 -6.143 804 HA GLU 43 HA GLU 43 -6.450 8.774 -5.911 805 HB2 GLU 43 HB2 GLU 43 -8.838 6.934 -6.269 806 HB3 GLU 43 HB3 GLU 43 -8.976 8.688 -6.199 807 HG2 GLU 43 HG2 GLU 43 -7.490 8.850 -8.200 808 HG3 GLU 43 HG3 GLU 43 -7.467 7.090 -8.293 809 H SER 44 H SER 44 -7.608 6.099 -3.853 810 HA SER 44 HA SER 44 -8.683 7.492 -1.692 811 HB2 SER 44 HB2 SER 44 -7.091 4.928 -1.865 812 HB3 SER 44 HB3 SER 44 -7.615 5.530 -0.295 813 HG SER 44 HG SER 44 -9.064 4.400 -2.374 814 H ILE 45 H ILE 45 -5.294 7.024 -2.582 815 HA ILE 45 HA ILE 45 -4.235 7.841 -0.080 816 HB ILE 45 HB ILE 45 -2.556 8.173 -2.602 817 HG12 ILE 45 HG12 ILE 45 -3.760 5.940 -2.818 818 HG13 ILE 45 HG13 ILE 45 -2.011 5.814 -2.717 819 HG21 ILE 45 HG21 ILE 45 -1.613 8.754 -0.404 820 HG22 ILE 45 HG22 ILE 45 -0.784 7.343 -1.065 821 HG23 ILE 45 HG23 ILE 45 -2.006 7.138 0.211 822 HD11 ILE 45 HD11 ILE 45 -3.091 4.082 -1.445 823 HD12 ILE 45 HD12 ILE 45 -3.968 5.276 -0.494 824 HD13 ILE 45 HD13 ILE 45 -2.211 5.160 -0.364 825 H LYS 46 H LYS 46 -4.891 9.482 -3.162 826 HA LYS 46 HA LYS 46 -3.912 12.054 -2.422 827 HB2 LYS 46 HB2 LYS 46 -5.686 11.120 -4.708 828 HB3 LYS 46 HB3 LYS 46 -5.320 12.826 -4.478 829 HG2 LYS 46 HG2 LYS 46 -3.825 11.877 -6.145 830 HG3 LYS 46 HG3 LYS 46 -2.916 12.373 -4.716 831 HD2 LYS 46 HD2 LYS 46 -3.393 9.763 -4.080 832 HD3 LYS 46 HD3 LYS 46 -3.375 9.636 -5.832 833 HE2 LYS 46 HE2 LYS 46 -1.171 11.030 -4.366 834 HE3 LYS 46 HE3 LYS 46 -1.207 9.281 -4.448 835 HZ1 LYS 46 HZ1 LYS 46 -1.101 11.168 -6.730 836 HZ2 LYS 46 HZ2 LYS 46 -1.268 9.495 -6.899 837 HZ3 LYS 46 HZ3 LYS 46 0.137 10.143 -6.210 838 H ARG 47 H ARG 47 -6.751 10.432 -1.633 839 HA ARG 47 HA ARG 47 -8.535 12.667 -1.312 840 HB2 ARG 47 HB2 ARG 47 -8.629 9.933 -0.032 841 HB3 ARG 47 HB3 ARG 47 -9.887 11.156 0.159 842 HG2 ARG 47 HG2 ARG 47 -10.173 11.161 -2.333 843 HG3 ARG 47 HG3 ARG 47 -9.033 9.818 -2.413 844 HD2 ARG 47 HD2 ARG 47 -10.557 8.536 -0.890 845 HD3 ARG 47 HD3 ARG 47 -11.714 9.863 -1.049 846 HE ARG 47 HE ARG 47 -11.654 9.398 -3.516 847 HH11 ARG 47 HH11 ARG 47 -10.984 6.817 -1.238 848 HH12 ARG 47 HH12 ARG 47 -11.420 5.558 -2.349 849 HH21 ARG 47 HH21 ARG 47 -12.251 7.753 -4.963 850 HH22 ARG 47 HH22 ARG 47 -12.145 6.091 -4.469 851 H ASN 48 H ASN 48 -6.580 10.847 1.062 852 HA ASN 48 HA ASN 48 -6.181 13.050 2.821 853 HB2 ASN 48 HB2 ASN 48 -8.808 12.068 3.026 854 HB3 ASN 48 HB3 ASN 48 -8.009 11.313 4.394 855 HD21 ASN 48 HD21 ASN 48 -7.238 14.522 3.064 856 HD22 ASN 48 HD22 ASN 48 -7.771 15.415 4.441 857 H SER 49 H SER 49 -4.899 10.458 1.771 858 HA SER 49 HA SER 49 -4.411 8.764 4.011 859 HB2 SER 49 HB2 SER 49 -4.130 8.052 1.647 860 HB3 SER 49 HB3 SER 49 -2.683 9.049 1.541 861 HG SER 49 HG SER 49 -2.937 6.572 2.472 862 H ALA 50 H ALA 50 -2.583 11.517 2.649 863 HA ALA 50 HA ALA 50 -0.396 11.401 4.400 864 HB1 ALA 50 HB1 ALA 50 -1.648 13.856 3.136 865 HB2 ALA 50 HB2 ALA 50 -0.442 12.805 2.394 866 HB3 ALA 50 HB3 ALA 50 -0.019 13.755 3.820 867 H GLY 51 H GLY 51 -3.660 12.649 4.842 868 HA2 GLY 51 HA2 GLY 51 -3.070 13.712 7.515 869 HA3 GLY 51 HA3 GLY 51 -4.591 13.827 6.642 870 H ALA 52 H ALA 52 -3.777 10.692 6.247 871 HA ALA 52 HA ALA 52 -5.618 9.671 8.173 872 HB1 ALA 52 HB1 ALA 52 -5.010 7.450 7.288 873 HB2 ALA 52 HB2 ALA 52 -3.639 8.158 6.420 874 HB3 ALA 52 HB3 ALA 52 -5.291 8.592 5.969 875 H ASP 53 H ASP 53 -5.041 7.897 9.698 876 HA ASP 53 HA ASP 53 -2.727 8.667 11.335 877 HB2 ASP 53 HB2 ASP 53 -5.017 8.542 12.347 878 HB3 ASP 53 HB3 ASP 53 -5.071 6.820 11.974 879 H THR 54 H THR 54 -1.398 6.968 12.303 880 HA THR 54 HA THR 54 -1.046 4.561 10.612 881 HB THR 54 HB THR 54 1.045 5.910 12.391 882 HG1 THR 54 HG1 THR 54 1.463 7.176 10.757 883 HG21 THR 54 HG21 THR 54 1.512 3.507 11.971 884 HG22 THR 54 HG22 THR 54 2.671 4.531 11.122 885 HG23 THR 54 HG23 THR 54 1.348 3.773 10.232 886 H VAL 55 H VAL 55 -2.278 3.077 11.620 887 HA VAL 55 HA VAL 55 -2.185 2.682 14.548 888 HB VAL 55 HB VAL 55 -4.038 1.364 12.493 889 HG11 VAL 55 HG11 VAL 55 -3.836 0.091 14.597 890 HG12 VAL 55 HG12 VAL 55 -5.448 0.784 14.431 891 HG13 VAL 55 HG13 VAL 55 -4.277 1.528 15.525 892 HG21 VAL 55 HG21 VAL 55 -4.402 3.785 12.488 893 HG22 VAL 55 HG22 VAL 55 -4.592 3.782 14.243 894 HG23 VAL 55 HG23 VAL 55 -5.774 2.953 13.225 895 H ASP 56 H ASP 56 -0.973 1.035 15.334 896 HA ASP 56 HA ASP 56 -0.217 -1.236 13.579 897 HB2 ASP 56 HB2 ASP 56 1.747 -0.091 14.411 898 HB3 ASP 56 HB3 ASP 56 1.132 -0.123 16.063 899 H LEU 57 H LEU 57 -1.603 -2.811 13.816 900 HA LEU 57 HA LEU 57 -3.138 -3.428 16.125 901 HB2 LEU 57 HB2 LEU 57 -2.663 -4.796 13.469 902 HB3 LEU 57 HB3 LEU 57 -3.639 -5.561 14.710 903 HG LEU 57 HG LEU 57 -5.307 -3.781 14.586 904 HD11 LEU 57 HD11 LEU 57 -3.553 -2.445 12.504 905 HD12 LEU 57 HD12 LEU 57 -3.881 -1.837 14.127 906 HD13 LEU 57 HD13 LEU 57 -5.189 -1.947 12.950 907 HD21 LEU 57 HD21 LEU 57 -5.482 -5.660 13.020 908 HD22 LEU 57 HD22 LEU 57 -4.521 -4.770 11.834 909 HD23 LEU 57 HD23 LEU 57 -6.123 -4.182 12.301 910 H THR 58 H THR 58 0.110 -4.479 15.133 911 HA THR 58 HA THR 58 -0.267 -7.103 16.472 912 HB THR 58 HB THR 58 0.491 -7.112 14.067 913 HG1 THR 58 HG1 THR 58 2.066 -8.306 16.103 914 HG21 THR 58 HG21 THR 58 1.993 -5.152 14.074 915 HG22 THR 58 HG22 THR 58 2.851 -6.599 13.538 916 HG23 THR 58 HG23 THR 58 3.090 -5.985 15.176 917 H THR 59 H THR 59 0.466 -4.273 17.569 918 HA THR 59 HA THR 59 2.825 -3.662 18.510 919 HB THR 59 HB THR 59 1.788 -3.065 20.785 920 HG1 THR 59 HG1 THR 59 -0.287 -4.601 19.636 921 HG21 THR 59 HG21 THR 59 1.693 -1.472 18.892 922 HG22 THR 59 HG22 THR 59 0.233 -1.387 19.879 923 HG23 THR 59 HG23 THR 59 0.202 -2.229 18.328 924 H MET 60 H MET 60 1.015 -6.266 20.171 925 HA MET 60 HA MET 60 3.358 -7.112 21.702 926 HB2 MET 60 HB2 MET 60 0.553 -8.301 21.599 927 HB3 MET 60 HB3 MET 60 1.809 -8.726 22.754 928 HG2 MET 60 HG2 MET 60 1.708 -6.447 23.683 929 HG3 MET 60 HG3 MET 60 0.449 -6.032 22.522 930 HE1 MET 60 HE1 MET 60 -0.113 -9.130 25.918 931 HE2 MET 60 HE2 MET 60 1.375 -8.216 25.673 932 HE3 MET 60 HE3 MET 60 0.892 -9.449 24.507 933 H THR 61 H THR 61 4.519 -7.553 19.613 934 HA THR 61 HA THR 61 3.794 -9.864 18.068 935 HB THR 61 HB THR 61 6.199 -9.641 17.175 936 HG1 THR 61 HG1 THR 61 7.164 -8.469 18.809 937 HG21 THR 61 HG21 THR 61 5.659 -7.674 15.791 938 HG22 THR 61 HG22 THR 61 4.340 -7.257 16.882 939 HG23 THR 61 HG23 THR 61 4.270 -8.749 15.938 940 H ALA 62 H ALA 62 3.818 -11.790 18.913 941 HA ALA 62 HA ALA 62 6.033 -12.988 20.279 942 HB1 ALA 62 HB1 ALA 62 3.549 -12.362 21.932 943 HB2 ALA 62 HB2 ALA 62 5.151 -11.661 22.163 944 HB3 ALA 62 HB3 ALA 62 4.893 -13.383 22.450 Start of MODEL 14 1 H MET 1 H MET 1 -12.072 8.550 12.120 2 HA MET 1 HA MET 1 -11.797 8.244 9.751 3 HB2 MET 1 HB2 MET 1 -10.644 10.136 10.933 4 HB3 MET 1 HB3 MET 1 -9.223 9.128 11.132 5 HG2 MET 1 HG2 MET 1 -9.012 9.037 8.638 6 HG3 MET 1 HG3 MET 1 -10.349 10.182 8.530 7 HE1 MET 1 HE1 MET 1 -7.476 10.144 11.275 8 HE2 MET 1 HE2 MET 1 -6.278 11.180 10.499 9 HE3 MET 1 HE3 MET 1 -6.668 9.606 9.804 10 H TYR 2 H TYR 2 -10.478 7.421 7.985 11 HA TYR 2 HA TYR 2 -9.446 4.804 8.347 12 HB2 TYR 2 HB2 TYR 2 -8.573 5.164 5.925 13 HB3 TYR 2 HB3 TYR 2 -10.299 5.119 6.217 14 HD1 TYR 2 HD1 TYR 2 -7.487 7.611 5.841 15 HD2 TYR 2 HD2 TYR 2 -11.645 6.787 5.273 16 HE1 TYR 2 HE1 TYR 2 -7.751 9.736 4.629 17 HE2 TYR 2 HE2 TYR 2 -11.898 8.906 4.065 18 HH TYR 2 HH TYR 2 -10.633 11.192 4.078 19 H LYS 3 H LYS 3 -7.233 4.143 7.647 20 HA LYS 3 HA LYS 3 -5.001 5.722 8.303 21 HB2 LYS 3 HB2 LYS 3 -4.550 4.468 10.585 22 HB3 LYS 3 HB3 LYS 3 -5.549 5.905 10.565 23 HG2 LYS 3 HG2 LYS 3 -6.484 4.247 12.062 24 HG3 LYS 3 HG3 LYS 3 -7.581 4.522 10.711 25 HD2 LYS 3 HD2 LYS 3 -6.957 2.388 9.698 26 HD3 LYS 3 HD3 LYS 3 -5.673 2.152 10.893 27 HE2 LYS 3 HE2 LYS 3 -7.254 1.859 12.664 28 HE3 LYS 3 HE3 LYS 3 -8.594 2.404 11.660 29 HZ1 LYS 3 HZ1 LYS 3 -8.255 0.411 10.302 30 HZ2 LYS 3 HZ2 LYS 3 -8.682 0.068 11.899 31 HZ3 LYS 3 HZ3 LYS 3 -7.081 -0.115 11.398 32 H PHE 4 H PHE 4 -3.194 4.090 9.195 33 HA PHE 4 HA PHE 4 -3.103 1.894 7.232 34 HB2 PHE 4 HB2 PHE 4 -0.914 3.512 8.592 35 HB3 PHE 4 HB3 PHE 4 -0.592 2.062 7.644 36 HD1 PHE 4 HD1 PHE 4 -2.093 5.491 7.404 37 HD2 PHE 4 HD2 PHE 4 -0.360 2.195 5.297 38 HE1 PHE 4 HE1 PHE 4 -2.000 6.840 5.349 39 HE2 PHE 4 HE2 PHE 4 -0.275 3.551 3.257 40 HZ PHE 4 HZ PHE 4 -1.094 5.866 3.275 41 H GLU 5 H GLU 5 -3.388 -0.028 8.022 42 HA GLU 5 HA GLU 5 -2.988 -0.661 10.866 43 HB2 GLU 5 HB2 GLU 5 -4.190 -2.404 8.667 44 HB3 GLU 5 HB3 GLU 5 -4.211 -2.734 10.392 45 HG2 GLU 5 HG2 GLU 5 -5.690 -0.782 10.710 46 HG3 GLU 5 HG3 GLU 5 -5.700 -0.532 8.962 47 H ILE 6 H ILE 6 -0.998 -1.427 11.366 48 HA ILE 6 HA ILE 6 0.610 -2.860 9.347 49 HB ILE 6 HB ILE 6 1.548 -1.695 12.011 50 HG12 ILE 6 HG12 ILE 6 1.973 -0.494 9.236 51 HG13 ILE 6 HG13 ILE 6 0.762 0.076 10.382 52 HG21 ILE 6 HG21 ILE 6 3.145 -2.754 9.632 53 HG22 ILE 6 HG22 ILE 6 2.931 -3.577 11.179 54 HG23 ILE 6 HG23 ILE 6 3.828 -2.058 11.104 55 HD11 ILE 6 HD11 ILE 6 3.745 0.084 10.803 56 HD12 ILE 6 HD12 ILE 6 2.535 0.653 11.958 57 HD13 ILE 6 HD13 ILE 6 2.730 1.468 10.410 58 H TYR 7 H TYR 7 0.612 -4.970 9.581 59 HA TYR 7 HA TYR 7 0.533 -6.161 12.258 60 HB2 TYR 7 HB2 TYR 7 -1.127 -7.867 11.485 61 HB3 TYR 7 HB3 TYR 7 -1.794 -6.243 11.572 62 HD1 TYR 7 HD1 TYR 7 -2.212 -4.949 9.423 63 HD2 TYR 7 HD2 TYR 7 -1.073 -9.075 9.415 64 HE1 TYR 7 HE1 TYR 7 -2.983 -5.162 7.097 65 HE2 TYR 7 HE2 TYR 7 -1.852 -9.266 7.098 66 HH TYR 7 HH TYR 7 -3.323 -8.204 5.561 67 H GLN 8 H GLN 8 0.938 -8.602 11.985 68 HA GLN 8 HA GLN 8 2.600 -9.189 9.621 69 HB2 GLN 8 HB2 GLN 8 4.165 -10.445 10.851 70 HB3 GLN 8 HB3 GLN 8 3.885 -9.058 11.891 71 HG2 GLN 8 HG2 GLN 8 2.183 -10.609 13.106 72 HG3 GLN 8 HG3 GLN 8 3.002 -11.915 12.261 73 HE21 GLN 8 HE21 GLN 8 5.332 -12.141 12.651 74 HE22 GLN 8 HE22 GLN 8 5.992 -11.697 14.175 75 H ASP 9 H ASP 9 2.347 -11.265 8.830 76 HA ASP 9 HA ASP 9 -0.251 -12.511 9.163 77 HB2 ASP 9 HB2 ASP 9 0.853 -12.183 6.938 78 HB3 ASP 9 HB3 ASP 9 2.160 -13.247 7.437 79 H LYS 10 H LYS 10 -0.345 -14.914 9.649 80 HA LYS 10 HA LYS 10 0.855 -15.566 12.075 81 HB2 LYS 10 HB2 LYS 10 -0.227 -17.654 12.007 82 HB3 LYS 10 HB3 LYS 10 -1.267 -16.611 11.060 83 HG2 LYS 10 HG2 LYS 10 0.706 -18.569 9.863 84 HG3 LYS 10 HG3 LYS 10 -0.982 -18.954 10.186 85 HD2 LYS 10 HD2 LYS 10 0.009 -16.791 8.295 86 HD3 LYS 10 HD3 LYS 10 -0.560 -18.389 7.812 87 HE2 LYS 10 HE2 LYS 10 -2.798 -17.829 8.755 88 HE3 LYS 10 HE3 LYS 10 -2.207 -16.211 9.136 89 HZ1 LYS 10 HZ1 LYS 10 -3.413 -16.211 7.067 90 HZ2 LYS 10 HZ2 LYS 10 -2.401 -17.400 6.422 91 HZ3 LYS 10 HZ3 LYS 10 -1.782 -15.868 6.769 92 H ALA 11 H ALA 11 1.887 -16.312 8.830 93 HA ALA 11 HA ALA 11 4.138 -17.944 9.296 94 HB1 ALA 11 HB1 ALA 11 4.845 -17.294 7.030 95 HB2 ALA 11 HB2 ALA 11 3.725 -15.930 7.057 96 HB3 ALA 11 HB3 ALA 11 3.101 -17.581 7.073 97 H GLY 12 H GLY 12 3.797 -14.951 10.618 98 HA2 GLY 12 HA2 GLY 12 5.188 -13.587 11.788 99 HA3 GLY 12 HA3 GLY 12 6.553 -14.522 11.240 100 H GLU 13 H GLU 13 4.265 -13.125 8.975 101 HA GLU 13 HA GLU 13 6.578 -11.681 7.778 102 HB2 GLU 13 HB2 GLU 13 4.078 -12.782 6.430 103 HB3 GLU 13 HB3 GLU 13 5.385 -11.926 5.614 104 HG2 GLU 13 HG2 GLU 13 5.506 -14.639 6.949 105 HG3 GLU 13 HG3 GLU 13 5.681 -14.276 5.234 106 H TYR 14 H TYR 14 6.457 -9.627 8.539 107 HA TYR 14 HA TYR 14 4.189 -8.109 8.999 108 HB2 TYR 14 HB2 TYR 14 6.982 -7.148 8.273 109 HB3 TYR 14 HB3 TYR 14 5.702 -6.097 8.879 110 HD1 TYR 14 HD1 TYR 14 8.051 -8.812 9.775 111 HD2 TYR 14 HD2 TYR 14 5.004 -6.188 11.229 112 HE1 TYR 14 HE1 TYR 14 8.637 -9.408 12.081 113 HE2 TYR 14 HE2 TYR 14 5.604 -6.784 13.537 114 HH TYR 14 HH TYR 14 6.695 -8.679 14.729 115 H ARG 15 H ARG 15 2.979 -6.839 7.959 116 HA ARG 15 HA ARG 15 3.445 -5.594 5.441 117 HB2 ARG 15 HB2 ARG 15 1.496 -6.369 4.178 118 HB3 ARG 15 HB3 ARG 15 2.637 -7.667 4.439 119 HG2 ARG 15 HG2 ARG 15 0.153 -7.348 6.127 120 HG3 ARG 15 HG3 ARG 15 0.134 -8.206 4.586 121 HD2 ARG 15 HD2 ARG 15 1.740 -8.915 7.057 122 HD3 ARG 15 HD3 ARG 15 0.374 -9.814 6.388 123 HE ARG 15 HE ARG 15 3.111 -9.654 5.292 124 HH11 ARG 15 HH11 ARG 15 -0.097 -11.058 5.028 125 HH12 ARG 15 HH12 ARG 15 0.429 -12.365 4.019 126 HH21 ARG 15 HH21 ARG 15 3.779 -11.356 3.959 127 HH22 ARG 15 HH22 ARG 15 2.627 -12.537 3.415 128 H PHE 16 H PHE 16 2.309 -3.728 5.279 129 HA PHE 16 HA PHE 16 0.079 -3.301 7.170 130 HB2 PHE 16 HB2 PHE 16 0.460 -0.856 6.898 131 HB3 PHE 16 HB3 PHE 16 1.823 -1.693 7.617 132 HD1 PHE 16 HD1 PHE 16 0.647 0.117 4.595 133 HD2 PHE 16 HD2 PHE 16 3.977 -1.774 6.493 134 HE1 PHE 16 HE1 PHE 16 2.183 1.195 3.000 135 HE2 PHE 16 HE2 PHE 16 5.499 -0.687 4.900 136 HZ PHE 16 HZ PHE 16 4.607 0.795 3.154 137 H ARG 17 H ARG 17 -1.525 -1.766 6.380 138 HA ARG 17 HA ARG 17 -2.010 -1.636 3.487 139 HB2 ARG 17 HB2 ARG 17 -4.364 -2.426 3.790 140 HB3 ARG 17 HB3 ARG 17 -3.166 -3.671 4.100 141 HG2 ARG 17 HG2 ARG 17 -3.484 -3.370 6.536 142 HG3 ARG 17 HG3 ARG 17 -4.708 -2.133 6.211 143 HD2 ARG 17 HD2 ARG 17 -5.651 -4.426 6.703 144 HD3 ARG 17 HD3 ARG 17 -6.166 -3.745 5.153 145 HE ARG 17 HE ARG 17 -3.836 -5.526 5.156 146 HH11 ARG 17 HH11 ARG 17 -7.276 -5.264 4.487 147 HH12 ARG 17 HH12 ARG 17 -7.285 -6.640 3.433 148 HH21 ARG 17 HH21 ARG 17 -3.863 -7.287 3.751 149 HH22 ARG 17 HH22 ARG 17 -5.357 -7.780 3.020 150 H PHE 18 H PHE 18 -3.929 -0.230 3.016 151 HA PHE 18 HA PHE 18 -4.325 1.907 5.057 152 HB2 PHE 18 HB2 PHE 18 -3.006 2.793 3.142 153 HB3 PHE 18 HB3 PHE 18 -4.258 2.257 2.030 154 HD1 PHE 18 HD1 PHE 18 -4.756 4.021 5.311 155 HD2 PHE 18 HD2 PHE 18 -4.863 4.308 1.049 156 HE1 PHE 18 HE1 PHE 18 -5.773 6.254 5.481 157 HE2 PHE 18 HE2 PHE 18 -5.842 6.545 1.217 158 HZ PHE 18 HZ PHE 18 -6.337 7.505 3.438 159 H LYS 19 H LYS 19 -6.352 2.401 5.501 160 HA LYS 19 HA LYS 19 -8.457 0.631 4.441 161 HB2 LYS 19 HB2 LYS 19 -8.255 2.164 7.086 162 HB3 LYS 19 HB3 LYS 19 -9.575 1.079 6.626 163 HG2 LYS 19 HG2 LYS 19 -6.665 0.285 7.011 164 HG3 LYS 19 HG3 LYS 19 -7.994 -0.058 8.125 165 HD2 LYS 19 HD2 LYS 19 -7.956 -1.037 5.237 166 HD3 LYS 19 HD3 LYS 19 -7.303 -1.981 6.566 167 HE2 LYS 19 HE2 LYS 19 -10.163 -0.989 6.598 168 HE3 LYS 19 HE3 LYS 19 -9.710 -2.488 5.803 169 HZ1 LYS 19 HZ1 LYS 19 -10.437 -2.948 8.024 170 HZ2 LYS 19 HZ2 LYS 19 -9.343 -1.831 8.669 171 HZ3 LYS 19 HZ3 LYS 19 -8.770 -3.239 7.932 172 H ALA 20 H ALA 20 -10.681 1.713 4.988 173 HA ALA 20 HA ALA 20 -10.845 4.518 4.106 174 HB1 ALA 20 HB1 ALA 20 -11.222 3.132 2.108 175 HB2 ALA 20 HB2 ALA 20 -12.702 3.958 2.589 176 HB3 ALA 20 HB3 ALA 20 -12.494 2.245 2.949 177 H SER 21 H SER 21 -12.913 5.491 4.728 178 HA SER 21 HA SER 21 -13.507 5.491 7.324 179 HB2 SER 21 HB2 SER 21 -15.561 6.056 5.155 180 HB3 SER 21 HB3 SER 21 -15.548 6.737 6.784 181 HG SER 21 HG SER 21 -14.386 7.704 4.649 182 H ASN 22 H ASN 22 -15.273 3.387 5.027 183 HA ASN 22 HA ASN 22 -17.099 2.427 7.126 184 HB2 ASN 22 HB2 ASN 22 -18.161 2.993 5.037 185 HB3 ASN 22 HB3 ASN 22 -17.013 2.048 4.106 186 HD21 ASN 22 HD21 ASN 22 -17.330 -0.153 3.888 187 HD22 ASN 22 HD22 ASN 22 -18.787 -0.954 4.376 188 H GLY 23 H GLY 23 -14.045 1.598 6.162 189 HA2 GLY 23 HA2 GLY 23 -12.836 -0.114 7.218 190 HA3 GLY 23 HA3 GLY 23 -14.261 -1.125 7.259 191 H GLU 24 H GLU 24 -13.425 0.476 4.290 192 HA GLU 24 HA GLU 24 -12.897 -2.047 2.942 193 HB2 GLU 24 HB2 GLU 24 -12.579 0.727 1.716 194 HB3 GLU 24 HB3 GLU 24 -12.826 -0.800 0.884 195 HG2 GLU 24 HG2 GLU 24 -14.973 -0.104 0.719 196 HG3 GLU 24 HG3 GLU 24 -15.123 -0.696 2.368 197 H THR 25 H THR 25 -10.936 -2.336 1.586 198 HA THR 25 HA THR 25 -8.535 -0.821 2.436 199 HB THR 25 HB THR 25 -8.574 -3.826 1.908 200 HG1 THR 25 HG1 THR 25 -9.538 -2.973 3.938 201 HG21 THR 25 HG21 THR 25 -6.400 -2.783 1.331 202 HG22 THR 25 HG22 THR 25 -6.255 -3.807 2.758 203 HG23 THR 25 HG23 THR 25 -6.330 -2.056 2.939 204 H MET 26 H MET 26 -7.048 -0.472 0.786 205 HA MET 26 HA MET 26 -7.968 -1.041 -1.977 206 HB2 MET 26 HB2 MET 26 -7.142 1.374 -2.479 207 HB3 MET 26 HB3 MET 26 -8.702 1.156 -1.702 208 HG2 MET 26 HG2 MET 26 -7.484 2.996 -0.689 209 HG3 MET 26 HG3 MET 26 -7.714 1.698 0.481 210 HE1 MET 26 HE1 MET 26 -5.043 1.945 -2.456 211 HE2 MET 26 HE2 MET 26 -3.732 2.741 -1.586 212 HE3 MET 26 HE3 MET 26 -5.259 3.587 -1.843 213 H PHE 27 H PHE 27 -5.198 -0.670 0.185 214 HA PHE 27 HA PHE 27 -3.763 -2.358 -1.708 215 HB2 PHE 27 HB2 PHE 27 -1.873 -1.065 -2.105 216 HB3 PHE 27 HB3 PHE 27 -3.079 0.201 -2.034 217 HD1 PHE 27 HD1 PHE 27 -0.222 -1.395 -0.228 218 HD2 PHE 27 HD2 PHE 27 -3.019 1.832 -0.270 219 HE1 PHE 27 HE1 PHE 27 1.009 -0.246 1.593 220 HE2 PHE 27 HE2 PHE 27 -1.813 2.986 1.462 221 HZ PHE 27 HZ PHE 27 0.236 1.944 2.440 222 H SER 28 H SER 28 -1.972 -3.397 -0.825 223 HA SER 28 HA SER 28 -1.253 -3.355 1.955 224 HB2 SER 28 HB2 SER 28 -3.548 -4.482 2.027 225 HB3 SER 28 HB3 SER 28 -2.861 -5.805 1.080 226 HG SER 28 HG SER 28 -1.974 -4.926 3.639 227 H SER 29 H SER 29 0.203 -5.351 2.498 228 HA SER 29 HA SER 29 1.049 -7.425 2.070 229 HB2 SER 29 HB2 SER 29 0.693 -6.932 -0.916 230 HB3 SER 29 HB3 SER 29 1.238 -8.439 -0.182 231 HG SER 29 HG SER 29 -1.304 -7.409 -0.407 232 H GLU 30 H GLU 30 2.331 -4.634 1.965 233 HA GLU 30 HA GLU 30 5.009 -5.439 1.038 234 HB2 GLU 30 HB2 GLU 30 4.226 -3.254 0.238 235 HB3 GLU 30 HB3 GLU 30 3.871 -2.736 1.878 236 HG2 GLU 30 HG2 GLU 30 5.910 -1.688 1.085 237 HG3 GLU 30 HG3 GLU 30 6.267 -2.766 2.424 238 H GLY 31 H GLY 31 4.480 -3.198 3.710 239 HA2 GLY 31 HA2 GLY 31 4.892 -3.423 6.044 240 HA3 GLY 31 HA3 GLY 31 5.494 -5.052 5.772 241 H TYR 32 H TYR 32 7.094 -4.024 3.485 242 HA TYR 32 HA TYR 32 8.884 -2.921 2.764 243 HB2 TYR 32 HB2 TYR 32 8.067 -0.935 4.169 244 HB3 TYR 32 HB3 TYR 32 9.177 -1.469 5.428 245 HD1 TYR 32 HD1 TYR 32 9.844 -1.526 1.740 246 HD2 TYR 32 HD2 TYR 32 10.675 0.425 5.453 247 HE1 TYR 32 HE1 TYR 32 11.626 -0.227 0.655 248 HE2 TYR 32 HE2 TYR 32 12.452 1.728 4.363 249 HH TYR 32 HH TYR 32 12.827 1.868 0.981 250 H LYS 33 H LYS 33 9.364 -3.732 6.218 251 HA LYS 33 HA LYS 33 11.165 -5.891 5.571 252 HB2 LYS 33 HB2 LYS 33 12.648 -3.837 5.499 253 HB3 LYS 33 HB3 LYS 33 12.252 -3.534 7.185 254 HG2 LYS 33 HG2 LYS 33 14.411 -4.593 7.047 255 HG3 LYS 33 HG3 LYS 33 13.269 -5.715 7.794 256 HD2 LYS 33 HD2 LYS 33 13.036 -6.913 5.632 257 HD3 LYS 33 HD3 LYS 33 14.162 -5.777 4.881 258 HE2 LYS 33 HE2 LYS 33 14.815 -7.693 7.143 259 HE3 LYS 33 HE3 LYS 33 15.276 -7.886 5.451 260 HZ1 LYS 33 HZ1 LYS 33 16.120 -5.617 7.168 261 HZ2 LYS 33 HZ2 LYS 33 16.645 -5.947 5.594 262 HZ3 LYS 33 HZ3 LYS 33 17.058 -6.990 6.859 263 H ALA 34 H ALA 34 10.188 -3.684 8.174 264 HA ALA 34 HA ALA 34 9.202 -5.886 9.859 265 HB1 ALA 34 HB1 ALA 34 10.480 -5.050 11.814 266 HB2 ALA 34 HB2 ALA 34 11.302 -3.870 10.789 267 HB3 ALA 34 HB3 ALA 34 11.564 -5.597 10.536 268 H LYS 35 H LYS 35 8.380 -4.473 12.104 269 HA LYS 35 HA LYS 35 6.279 -2.889 10.980 270 HB2 LYS 35 HB2 LYS 35 5.343 -2.728 13.125 271 HB3 LYS 35 HB3 LYS 35 6.055 -4.334 13.068 272 HG2 LYS 35 HG2 LYS 35 7.879 -3.657 14.503 273 HG3 LYS 35 HG3 LYS 35 7.417 -1.956 14.391 274 HD2 LYS 35 HD2 LYS 35 6.681 -2.849 16.538 275 HD3 LYS 35 HD3 LYS 35 5.277 -2.468 15.533 276 HE2 LYS 35 HE2 LYS 35 5.178 -4.902 14.888 277 HE3 LYS 35 HE3 LYS 35 6.452 -5.211 16.069 278 HZ1 LYS 35 HZ1 LYS 35 4.301 -5.664 16.984 279 HZ2 LYS 35 HZ2 LYS 35 3.766 -4.096 16.633 280 HZ3 LYS 35 HZ3 LYS 35 4.984 -4.345 17.784 281 H ALA 36 H ALA 36 9.253 -2.164 12.812 282 HA ALA 36 HA ALA 36 8.957 0.588 13.141 283 HB1 ALA 36 HB1 ALA 36 11.419 0.675 13.362 284 HB2 ALA 36 HB2 ALA 36 11.537 -0.951 12.685 285 HB3 ALA 36 HB3 ALA 36 10.746 -0.699 14.243 286 H SER 37 H SER 37 10.435 -1.222 10.464 287 HA SER 37 HA SER 37 11.022 0.956 8.753 288 HB2 SER 37 HB2 SER 37 10.425 -1.924 7.945 289 HB3 SER 37 HB3 SER 37 11.373 -0.741 7.039 290 HG SER 37 HG SER 37 12.806 -0.730 8.920 291 H ALA 38 H ALA 38 8.110 -0.859 9.421 292 HA ALA 38 HA ALA 38 6.625 -0.166 7.098 293 HB1 ALA 38 HB1 ALA 38 5.589 -1.100 9.798 294 HB2 ALA 38 HB2 ALA 38 6.019 -2.133 8.431 295 HB3 ALA 38 HB3 ALA 38 4.656 -1.020 8.299 296 H ILE 39 H ILE 39 6.455 1.158 10.534 297 HA ILE 39 HA ILE 39 4.713 3.257 10.042 298 HB ILE 39 HB ILE 39 7.033 3.204 12.042 299 HG12 ILE 39 HG12 ILE 39 4.840 3.291 13.641 300 HG13 ILE 39 HG13 ILE 39 4.075 2.576 12.237 301 HG21 ILE 39 HG21 ILE 39 4.901 5.371 11.779 302 HG22 ILE 39 HG22 ILE 39 6.631 5.561 11.503 303 HG23 ILE 39 HG23 ILE 39 6.037 5.226 13.126 304 HD11 ILE 39 HD11 ILE 39 4.743 0.951 13.923 305 HD12 ILE 39 HD12 ILE 39 6.427 1.426 13.719 306 HD13 ILE 39 HD13 ILE 39 5.550 0.675 12.384 307 H HIS 40 H HIS 40 8.298 3.293 9.816 308 HA HIS 40 HA HIS 40 8.645 5.976 9.073 309 HB2 HIS 40 HB2 HIS 40 10.381 3.515 8.728 310 HB3 HIS 40 HB3 HIS 40 10.889 5.043 8.013 311 HD1 HIS 40 HD1 HIS 40 11.277 7.056 9.720 312 HD2 HIS 40 HD2 HIS 40 10.878 3.304 11.450 313 HE1 HIS 40 HE1 HIS 40 12.167 7.294 12.052 314 HE2 HIS 40 HE2 HIS 40 11.950 4.999 13.071 315 H ALA 41 H ALA 41 8.192 3.091 7.008 316 HA ALA 41 HA ALA 41 8.329 4.278 4.495 317 HB1 ALA 41 HB1 ALA 41 6.936 2.383 3.724 318 HB2 ALA 41 HB2 ALA 41 6.522 1.995 5.395 319 HB3 ALA 41 HB3 ALA 41 8.187 1.825 4.839 320 H ILE 42 H ILE 42 5.459 3.698 6.531 321 HA ILE 42 HA ILE 42 3.566 5.061 5.006 322 HB ILE 42 HB ILE 42 3.667 4.509 7.991 323 HG12 ILE 42 HG12 ILE 42 2.108 3.014 5.825 324 HG13 ILE 42 HG13 ILE 42 3.733 2.549 6.319 325 HG21 ILE 42 HG21 ILE 42 2.060 6.313 7.594 326 HG22 ILE 42 HG22 ILE 42 1.210 4.830 8.018 327 HG23 ILE 42 HG23 ILE 42 1.265 5.364 6.337 328 HD11 ILE 42 HD11 ILE 42 1.368 2.670 8.167 329 HD12 ILE 42 HD12 ILE 42 2.985 2.056 8.525 330 HD13 ILE 42 HD13 ILE 42 1.962 1.223 7.357 331 H GLU 43 H GLU 43 6.033 6.384 7.103 332 HA GLU 43 HA GLU 43 4.765 8.907 7.577 333 HB2 GLU 43 HB2 GLU 43 7.707 8.168 7.815 334 HB3 GLU 43 HB3 GLU 43 7.001 9.686 8.360 335 HG2 GLU 43 HG2 GLU 43 6.516 6.917 9.481 336 HG3 GLU 43 HG3 GLU 43 7.299 8.278 10.272 337 H SER 44 H SER 44 6.835 7.587 5.010 338 HA SER 44 HA SER 44 7.249 9.834 3.407 339 HB2 SER 44 HB2 SER 44 6.435 7.016 2.662 340 HB3 SER 44 HB3 SER 44 6.866 8.211 1.444 341 HG SER 44 HG SER 44 8.486 7.267 3.596 342 H ILE 45 H ILE 45 4.276 7.991 3.955 343 HA ILE 45 HA ILE 45 2.831 9.149 1.805 344 HB ILE 45 HB ILE 45 1.407 7.963 4.234 345 HG12 ILE 45 HG12 ILE 45 3.295 6.380 3.497 346 HG13 ILE 45 HG13 ILE 45 1.675 5.702 3.404 347 HG21 ILE 45 HG21 ILE 45 0.053 8.996 2.482 348 HG22 ILE 45 HG22 ILE 45 -0.189 7.245 2.452 349 HG23 ILE 45 HG23 ILE 45 0.868 8.020 1.246 350 HD11 ILE 45 HD11 ILE 45 3.274 6.775 1.090 351 HD12 ILE 45 HD12 ILE 45 1.660 6.067 0.996 352 HD13 ILE 45 HD13 ILE 45 3.028 5.081 1.498 353 H LYS 46 H LYS 46 3.144 9.846 5.282 354 HA LYS 46 HA LYS 46 1.251 11.967 5.404 355 HB2 LYS 46 HB2 LYS 46 3.470 11.108 7.294 356 HB3 LYS 46 HB3 LYS 46 2.486 12.532 7.622 357 HG2 LYS 46 HG2 LYS 46 1.579 10.650 8.854 358 HG3 LYS 46 HG3 LYS 46 0.439 11.122 7.589 359 HD2 LYS 46 HD2 LYS 46 1.758 9.257 6.202 360 HD3 LYS 46 HD3 LYS 46 2.145 8.656 7.806 361 HE2 LYS 46 HE2 LYS 46 -0.657 9.194 6.865 362 HE3 LYS 46 HE3 LYS 46 0.167 7.661 6.618 363 HZ1 LYS 46 HZ1 LYS 46 -0.398 8.929 9.238 364 HZ2 LYS 46 HZ2 LYS 46 0.436 7.475 9.024 365 HZ3 LYS 46 HZ3 LYS 46 -1.197 7.585 8.597 366 H ARG 47 H ARG 47 4.334 11.835 4.143 367 HA ARG 47 HA ARG 47 5.279 14.502 4.559 368 HB2 ARG 47 HB2 ARG 47 5.889 12.606 2.255 369 HB3 ARG 47 HB3 ARG 47 6.737 14.121 2.540 370 HG2 ARG 47 HG2 ARG 47 6.675 11.788 4.471 371 HG3 ARG 47 HG3 ARG 47 7.981 12.126 3.338 372 HD2 ARG 47 HD2 ARG 47 7.067 13.993 5.549 373 HD3 ARG 47 HD3 ARG 47 8.474 12.927 5.633 374 HE ARG 47 HE ARG 47 8.805 14.442 3.353 375 HH11 ARG 47 HH11 ARG 47 8.550 15.123 6.802 376 HH12 ARG 47 HH12 ARG 47 9.510 16.562 6.691 377 HH21 ARG 47 HH21 ARG 47 10.026 16.310 3.254 378 HH22 ARG 47 HH22 ARG 47 10.335 17.232 4.686 379 H ASN 48 H ASN 48 3.670 13.114 1.685 380 HA ASN 48 HA ASN 48 2.100 15.377 1.057 381 HB2 ASN 48 HB2 ASN 48 4.604 16.176 0.579 382 HB3 ASN 48 HB3 ASN 48 4.396 15.288 -0.924 383 HD21 ASN 48 HD21 ASN 48 2.717 16.008 -2.389 384 HD22 ASN 48 HD22 ASN 48 2.154 17.640 -2.344 385 H SER 49 H SER 49 2.202 12.355 0.961 386 HA SER 49 HA SER 49 2.172 11.473 -1.748 387 HB2 SER 49 HB2 SER 49 2.561 10.009 0.215 388 HB3 SER 49 HB3 SER 49 0.861 10.165 0.644 389 HG SER 49 HG SER 49 1.922 8.421 -0.950 390 H ALA 50 H ALA 50 -0.424 12.596 0.426 391 HA ALA 50 HA ALA 50 -2.612 12.141 -1.264 392 HB1 ALA 50 HB1 ALA 50 -3.782 13.867 0.032 393 HB2 ALA 50 HB2 ALA 50 -2.246 14.414 0.713 394 HB3 ALA 50 HB3 ALA 50 -2.853 12.800 1.088 395 H GLY 51 H GLY 51 -0.124 14.567 -1.379 396 HA2 GLY 51 HA2 GLY 51 -1.399 16.036 -3.598 397 HA3 GLY 51 HA3 GLY 51 0.004 16.553 -2.670 398 H ALA 52 H ALA 52 0.640 13.387 -3.261 399 HA ALA 52 HA ALA 52 2.499 13.841 -5.381 400 HB1 ALA 52 HB1 ALA 52 1.515 11.184 -4.265 401 HB2 ALA 52 HB2 ALA 52 2.862 12.125 -3.619 402 HB3 ALA 52 HB3 ALA 52 2.972 11.437 -5.241 403 H ASP 53 H ASP 53 2.525 12.442 -7.387 404 HA ASP 53 HA ASP 53 -0.079 12.622 -8.770 405 HB2 ASP 53 HB2 ASP 53 1.916 13.797 -9.737 406 HB3 ASP 53 HB3 ASP 53 2.734 12.251 -9.902 407 H THR 54 H THR 54 -0.662 10.862 -10.250 408 HA THR 54 HA THR 54 0.260 8.166 -9.432 409 HB THR 54 HB THR 54 -2.435 8.962 -10.636 410 HG1 THR 54 HG1 THR 54 -3.231 8.669 -8.526 411 HG21 THR 54 HG21 THR 54 -3.168 6.711 -9.959 412 HG22 THR 54 HG22 THR 54 -1.539 6.343 -9.384 413 HG23 THR 54 HG23 THR 54 -1.829 6.617 -11.104 414 H VAL 55 H VAL 55 1.824 7.734 -10.925 415 HA VAL 55 HA VAL 55 1.304 8.182 -13.806 416 HB VAL 55 HB VAL 55 3.327 9.324 -13.001 417 HG11 VAL 55 HG11 VAL 55 5.324 8.134 -12.212 418 HG12 VAL 55 HG12 VAL 55 4.437 6.610 -12.222 419 HG13 VAL 55 HG13 VAL 55 3.962 7.901 -11.118 420 HG21 VAL 55 HG21 VAL 55 4.002 6.993 -14.841 421 HG22 VAL 55 HG22 VAL 55 4.935 8.484 -14.684 422 HG23 VAL 55 HG23 VAL 55 3.296 8.537 -15.328 423 H ASP 56 H ASP 56 0.909 6.455 -15.047 424 HA ASP 56 HA ASP 56 1.459 3.742 -14.034 425 HB2 ASP 56 HB2 ASP 56 -0.154 2.962 -15.755 426 HB3 ASP 56 HB3 ASP 56 -0.867 4.131 -14.655 427 H LEU 57 H LEU 57 3.431 3.100 -14.568 428 HA LEU 57 HA LEU 57 4.858 3.758 -16.952 429 HB2 LEU 57 HB2 LEU 57 5.280 1.770 -14.712 430 HB3 LEU 57 HB3 LEU 57 6.367 1.823 -16.087 431 HG LEU 57 HG LEU 57 7.159 4.027 -15.505 432 HD11 LEU 57 HD11 LEU 57 5.084 5.100 -14.758 433 HD12 LEU 57 HD12 LEU 57 6.376 5.333 -13.583 434 HD13 LEU 57 HD13 LEU 57 5.111 4.141 -13.274 435 HD21 LEU 57 HD21 LEU 57 8.162 3.586 -13.302 436 HD22 LEU 57 HD22 LEU 57 8.175 2.147 -14.318 437 HD23 LEU 57 HD23 LEU 57 6.984 2.297 -13.023 438 H THR 58 H THR 58 2.397 1.529 -16.315 439 HA THR 58 HA THR 58 3.160 -0.428 -18.384 440 HB THR 58 HB THR 58 2.589 -1.375 -16.165 441 HG1 THR 58 HG1 THR 58 0.913 -1.964 -18.352 442 HG21 THR 58 HG21 THR 58 -0.181 -0.178 -16.528 443 HG22 THR 58 HG22 THR 58 1.016 0.347 -15.346 444 HG23 THR 58 HG23 THR 58 0.317 -1.265 -15.229 445 H THR 59 H THR 59 2.174 2.361 -18.849 446 HA THR 59 HA THR 59 -0.162 2.931 -19.897 447 HB THR 59 HB THR 59 0.899 3.941 -21.946 448 HG1 THR 59 HG1 THR 59 3.247 2.610 -20.983 449 HG21 THR 59 HG21 THR 59 2.501 4.376 -19.396 450 HG22 THR 59 HG22 THR 59 0.980 5.172 -19.797 451 HG23 THR 59 HG23 THR 59 2.418 5.485 -20.771 452 H MET 60 H MET 60 2.007 0.769 -21.788 453 HA MET 60 HA MET 60 -0.133 -0.352 -23.366 454 HB2 MET 60 HB2 MET 60 2.199 -0.381 -24.225 455 HB3 MET 60 HB3 MET 60 2.701 -1.381 -22.869 456 HG2 MET 60 HG2 MET 60 1.113 -3.158 -23.694 457 HG3 MET 60 HG3 MET 60 0.850 -2.168 -25.132 458 HE1 MET 60 HE1 MET 60 3.118 -5.152 -26.402 459 HE2 MET 60 HE2 MET 60 1.609 -4.279 -26.668 460 HE3 MET 60 HE3 MET 60 1.838 -5.222 -25.192 461 H THR 61 H THR 61 -1.693 -1.386 -22.253 462 HA THR 61 HA THR 61 -1.180 -2.750 -19.724 463 HB THR 61 HB THR 61 -3.709 -2.964 -19.691 464 HG1 THR 61 HG1 THR 61 -3.708 -2.747 -22.167 465 HG21 THR 61 HG21 THR 61 -2.640 -0.163 -20.173 466 HG22 THR 61 HG22 THR 61 -2.626 -1.021 -18.630 467 HG23 THR 61 HG23 THR 61 -4.161 -0.556 -19.371 468 H ALA 62 H ALA 62 -1.238 -4.911 -19.407 469 HA ALA 62 HA ALA 62 -2.282 -6.714 -21.518 470 HB1 ALA 62 HB1 ALA 62 0.158 -7.235 -19.764 471 HB2 ALA 62 HB2 ALA 62 0.202 -6.853 -21.487 472 HB3 ALA 62 HB3 ALA 62 -0.539 -8.354 -20.935 473 H MET 1 H MET 1 9.284 16.016 -9.219 474 HA MET 1 HA MET 1 9.178 15.260 -6.937 475 HB2 MET 1 HB2 MET 1 7.237 16.516 -8.003 476 HB3 MET 1 HB3 MET 1 6.465 14.971 -8.317 477 HG2 MET 1 HG2 MET 1 6.434 14.557 -5.855 478 HG3 MET 1 HG3 MET 1 7.066 16.185 -5.616 479 HE1 MET 1 HE1 MET 1 3.273 16.325 -4.478 480 HE2 MET 1 HE2 MET 1 4.943 16.526 -3.948 481 HE3 MET 1 HE3 MET 1 4.330 14.921 -4.358 482 H TYR 2 H TYR 2 8.256 13.624 -5.400 483 HA TYR 2 HA TYR 2 8.277 10.923 -6.362 484 HB2 TYR 2 HB2 TYR 2 7.399 10.403 -3.986 485 HB3 TYR 2 HB3 TYR 2 9.024 11.013 -4.184 486 HD1 TYR 2 HD1 TYR 2 5.573 12.030 -3.141 487 HD2 TYR 2 HD2 TYR 2 9.744 12.958 -3.031 488 HE1 TYR 2 HE1 TYR 2 5.161 13.693 -1.383 489 HE2 TYR 2 HE2 TYR 2 9.330 14.627 -1.276 490 HH TYR 2 HH TYR 2 7.443 16.014 -0.456 491 H LYS 3 H LYS 3 6.512 9.457 -6.234 492 HA LYS 3 HA LYS 3 3.831 10.218 -6.554 493 HB2 LYS 3 HB2 LYS 3 3.858 9.668 -9.174 494 HB3 LYS 3 HB3 LYS 3 4.129 11.300 -8.603 495 HG2 LYS 3 HG2 LYS 3 5.642 10.696 -10.436 496 HG3 LYS 3 HG3 LYS 3 6.532 11.089 -8.965 497 HD2 LYS 3 HD2 LYS 3 6.906 8.675 -8.543 498 HD3 LYS 3 HD3 LYS 3 5.967 8.270 -9.984 499 HE2 LYS 3 HE2 LYS 3 8.402 8.148 -10.413 500 HE3 LYS 3 HE3 LYS 3 7.641 9.392 -11.408 501 HZ1 LYS 3 HZ1 LYS 3 8.406 11.058 -9.799 502 HZ2 LYS 3 HZ2 LYS 3 9.695 10.188 -10.463 503 HZ3 LYS 3 HZ3 LYS 3 9.166 9.842 -8.899 504 H PHE 4 H PHE 4 2.767 8.385 -8.059 505 HA PHE 4 HA PHE 4 3.658 5.825 -6.901 506 HB2 PHE 4 HB2 PHE 4 0.930 6.818 -7.805 507 HB3 PHE 4 HB3 PHE 4 1.255 5.131 -7.416 508 HD1 PHE 4 HD1 PHE 4 1.321 8.584 -5.954 509 HD2 PHE 4 HD2 PHE 4 1.158 4.376 -5.186 510 HE1 PHE 4 HE1 PHE 4 0.842 9.023 -3.580 511 HE2 PHE 4 HE2 PHE 4 0.682 4.833 -2.824 512 HZ PHE 4 HZ PHE 4 0.525 7.145 -2.020 513 H GLU 5 H GLU 5 4.600 4.511 -8.237 514 HA GLU 5 HA GLU 5 4.291 4.753 -11.162 515 HB2 GLU 5 HB2 GLU 5 6.309 3.141 -9.526 516 HB3 GLU 5 HB3 GLU 5 6.285 3.267 -11.286 517 HG2 GLU 5 HG2 GLU 5 6.683 5.714 -11.079 518 HG3 GLU 5 HG3 GLU 5 6.787 5.528 -9.330 519 H ILE 6 H ILE 6 2.768 3.476 -12.035 520 HA ILE 6 HA ILE 6 1.949 0.966 -10.714 521 HB ILE 6 HB ILE 6 0.487 2.539 -12.892 522 HG12 ILE 6 HG12 ILE 6 -0.216 2.392 -9.924 523 HG13 ILE 6 HG13 ILE 6 0.596 3.757 -10.687 524 HG21 ILE 6 HG21 ILE 6 -1.434 1.040 -12.412 525 HG22 ILE 6 HG22 ILE 6 -0.459 0.158 -11.236 526 HG23 ILE 6 HG23 ILE 6 -0.021 0.119 -12.944 527 HD11 ILE 6 HD11 ILE 6 -1.757 4.174 -10.394 528 HD12 ILE 6 HD12 ILE 6 -2.159 2.744 -11.337 529 HD13 ILE 6 HD13 ILE 6 -1.352 4.116 -12.107 530 H TYR 7 H TYR 7 2.768 -0.753 -11.635 531 HA TYR 7 HA TYR 7 3.187 -0.880 -14.548 532 HB2 TYR 7 HB2 TYR 7 5.399 -1.966 -14.175 533 HB3 TYR 7 HB3 TYR 7 5.383 -0.315 -13.563 534 HD1 TYR 7 HD1 TYR 7 5.405 0.132 -11.121 535 HD2 TYR 7 HD2 TYR 7 5.559 -3.883 -12.609 536 HE1 TYR 7 HE1 TYR 7 6.038 -0.676 -8.885 537 HE2 TYR 7 HE2 TYR 7 6.206 -4.681 -10.367 538 HH TYR 7 HH TYR 7 6.002 -2.675 -7.568 539 H GLN 8 H GLN 8 3.677 -3.228 -15.105 540 HA GLN 8 HA GLN 8 2.586 -5.155 -13.149 541 HB2 GLN 8 HB2 GLN 8 1.651 -6.537 -14.805 542 HB3 GLN 8 HB3 GLN 8 1.199 -4.924 -15.342 543 HG2 GLN 8 HG2 GLN 8 2.970 -4.963 -17.020 544 HG3 GLN 8 HG3 GLN 8 3.550 -6.491 -16.416 545 HE21 GLN 8 HE21 GLN 8 0.149 -6.350 -16.475 546 HE22 GLN 8 HE22 GLN 8 -0.095 -7.225 -17.928 547 H ASP 9 H ASP 9 3.684 -7.123 -13.074 548 HA ASP 9 HA ASP 9 6.512 -7.034 -13.660 549 HB2 ASP 9 HB2 ASP 9 5.650 -7.938 -11.487 550 HB3 ASP 9 HB3 ASP 9 4.784 -9.199 -12.355 551 H LYS 10 H LYS 10 7.526 -8.928 -14.861 552 HA LYS 10 HA LYS 10 6.544 -9.176 -17.455 553 HB2 LYS 10 HB2 LYS 10 8.926 -9.569 -16.683 554 HB3 LYS 10 HB3 LYS 10 8.437 -11.147 -16.095 555 HG2 LYS 10 HG2 LYS 10 8.080 -10.370 -18.998 556 HG3 LYS 10 HG3 LYS 10 9.626 -10.969 -18.402 557 HD2 LYS 10 HD2 LYS 10 8.678 -13.120 -17.871 558 HD3 LYS 10 HD3 LYS 10 7.035 -12.529 -18.104 559 HE2 LYS 10 HE2 LYS 10 7.636 -12.150 -20.552 560 HE3 LYS 10 HE3 LYS 10 9.139 -13.020 -20.230 561 HZ1 LYS 10 HZ1 LYS 10 7.832 -14.942 -19.574 562 HZ2 LYS 10 HZ2 LYS 10 7.454 -14.474 -21.149 563 HZ3 LYS 10 HZ3 LYS 10 6.394 -14.111 -19.884 564 H ALA 11 H ALA 11 6.101 -11.284 -14.693 565 HA ALA 11 HA ALA 11 4.633 -13.392 -15.823 566 HB1 ALA 11 HB1 ALA 11 5.571 -13.443 -13.542 567 HB2 ALA 11 HB2 ALA 11 3.855 -13.853 -13.526 568 HB3 ALA 11 HB3 ALA 11 4.382 -12.249 -13.017 569 H GLY 12 H GLY 12 3.648 -10.242 -16.049 570 HA2 GLY 12 HA2 GLY 12 1.777 -9.231 -16.806 571 HA3 GLY 12 HA3 GLY 12 0.923 -10.754 -16.715 572 H GLU 13 H GLU 13 2.623 -9.402 -13.958 573 HA GLU 13 HA GLU 13 0.026 -9.474 -12.493 574 HB2 GLU 13 HB2 GLU 13 2.860 -9.857 -11.445 575 HB3 GLU 13 HB3 GLU 13 1.391 -9.932 -10.473 576 HG2 GLU 13 HG2 GLU 13 2.161 -11.829 -12.714 577 HG3 GLU 13 HG3 GLU 13 2.232 -12.160 -10.984 578 H TYR 14 H TYR 14 -0.713 -7.388 -12.544 579 HA TYR 14 HA TYR 14 0.769 -5.057 -12.322 580 HB2 TYR 14 HB2 TYR 14 -2.146 -5.588 -11.658 581 HB3 TYR 14 HB3 TYR 14 -1.440 -3.975 -11.599 582 HD1 TYR 14 HD1 TYR 14 -2.298 -6.795 -13.879 583 HD2 TYR 14 HD2 TYR 14 -0.947 -2.749 -13.639 584 HE1 TYR 14 HE1 TYR 14 -2.646 -6.529 -16.295 585 HE2 TYR 14 HE2 TYR 14 -1.291 -2.501 -16.054 586 HH TYR 14 HH TYR 14 -3.034 -4.739 -17.904 587 H ARG 15 H ARG 15 1.455 -3.843 -10.836 588 HA ARG 15 HA ARG 15 0.736 -3.819 -8.049 589 HB2 ARG 15 HB2 ARG 15 3.696 -4.339 -8.607 590 HB3 ARG 15 HB3 ARG 15 2.952 -4.088 -7.041 591 HG2 ARG 15 HG2 ARG 15 3.094 -6.345 -6.872 592 HG3 ARG 15 HG3 ARG 15 1.630 -6.346 -7.849 593 HD2 ARG 15 HD2 ARG 15 2.987 -6.614 -9.880 594 HD3 ARG 15 HD3 ARG 15 4.462 -6.585 -8.914 595 HE ARG 15 HE ARG 15 2.391 -8.698 -8.635 596 HH11 ARG 15 HH11 ARG 15 5.761 -7.770 -8.828 597 HH12 ARG 15 HH12 ARG 15 6.339 -9.405 -8.774 598 HH21 ARG 15 HH21 ARG 15 3.154 -10.843 -8.582 599 HH22 ARG 15 HH22 ARG 15 4.862 -11.144 -8.639 600 H PHE 16 H PHE 16 1.030 -1.758 -7.226 601 HA PHE 16 HA PHE 16 2.776 0.072 -8.757 602 HB2 PHE 16 HB2 PHE 16 1.513 1.973 -7.827 603 HB3 PHE 16 HB3 PHE 16 0.495 0.917 -8.784 604 HD1 PHE 16 HD1 PHE 16 1.201 2.126 -5.338 605 HD2 PHE 16 HD2 PHE 16 -1.422 -0.199 -7.795 606 HE1 PHE 16 HE1 PHE 16 -0.487 2.104 -3.539 607 HE2 PHE 16 HE2 PHE 16 -3.088 -0.221 -5.991 608 HZ PHE 16 HZ PHE 16 -2.628 0.931 -3.864 609 H ARG 17 H ARG 17 3.687 1.783 -7.394 610 HA ARG 17 HA ARG 17 4.303 1.127 -4.598 611 HB2 ARG 17 HB2 ARG 17 6.754 1.489 -5.012 612 HB3 ARG 17 HB3 ARG 17 6.125 0.043 -5.790 613 HG2 ARG 17 HG2 ARG 17 6.088 1.193 -7.960 614 HG3 ARG 17 HG3 ARG 17 6.648 2.683 -7.200 615 HD2 ARG 17 HD2 ARG 17 8.481 1.471 -8.350 616 HD3 ARG 17 HD3 ARG 17 8.774 1.647 -6.620 617 HE ARG 17 HE ARG 17 7.872 -0.744 -6.472 618 HH11 ARG 17 HH11 ARG 17 9.545 0.369 -9.345 619 HH12 ARG 17 HH12 ARG 17 10.245 -1.181 -9.674 620 HH21 ARG 17 HH21 ARG 17 8.793 -2.780 -6.952 621 HH22 ARG 17 HH22 ARG 17 9.821 -2.946 -8.336 622 H PHE 18 H PHE 18 5.524 2.938 -3.556 623 HA PHE 18 HA PHE 18 4.939 5.597 -4.771 624 HB2 PHE 18 HB2 PHE 18 3.507 5.235 -2.772 625 HB3 PHE 18 HB3 PHE 18 4.936 4.896 -1.808 626 HD1 PHE 18 HD1 PHE 18 4.487 7.678 -4.293 627 HD2 PHE 18 HD2 PHE 18 4.775 6.581 -0.173 628 HE1 PHE 18 HE1 PHE 18 4.559 10.055 -3.656 629 HE2 PHE 18 HE2 PHE 18 4.810 8.946 0.464 630 HZ PHE 18 HZ PHE 18 4.750 10.690 -1.282 631 H LYS 19 H LYS 19 6.575 6.950 -4.894 632 HA LYS 19 HA LYS 19 9.268 5.914 -4.325 633 HB2 LYS 19 HB2 LYS 19 8.297 8.024 -6.324 634 HB3 LYS 19 HB3 LYS 19 9.961 7.443 -6.169 635 HG2 LYS 19 HG2 LYS 19 7.555 5.747 -6.939 636 HG3 LYS 19 HG3 LYS 19 8.794 6.346 -8.050 637 HD2 LYS 19 HD2 LYS 19 9.405 4.531 -5.673 638 HD3 LYS 19 HD3 LYS 19 9.097 3.920 -7.293 639 HE2 LYS 19 HE2 LYS 19 11.293 5.928 -6.700 640 HE3 LYS 19 HE3 LYS 19 11.539 4.190 -6.640 641 HZ1 LYS 19 HZ1 LYS 19 10.637 5.747 -8.992 642 HZ2 LYS 19 HZ2 LYS 19 10.818 4.068 -8.952 643 HZ3 LYS 19 HZ3 LYS 19 12.167 5.069 -8.772 644 H ALA 20 H ALA 20 10.843 7.903 -4.345 645 HA ALA 20 HA ALA 20 9.981 10.082 -2.556 646 HB1 ALA 20 HB1 ALA 20 11.998 9.848 -1.192 647 HB2 ALA 20 HB2 ALA 20 12.521 8.459 -2.147 648 HB3 ALA 20 HB3 ALA 20 11.071 8.347 -1.153 649 H SER 21 H SER 21 11.426 11.935 -2.702 650 HA SER 21 HA SER 21 11.806 13.011 -5.108 651 HB2 SER 21 HB2 SER 21 13.402 14.632 -4.018 652 HB3 SER 21 HB3 SER 21 11.945 14.314 -3.079 653 HG SER 21 HG SER 21 14.300 14.176 -2.147 654 H ASN 22 H ASN 22 14.400 11.123 -3.511 655 HA ASN 22 HA ASN 22 16.288 11.727 -5.689 656 HB2 ASN 22 HB2 ASN 22 16.897 10.015 -3.254 657 HB3 ASN 22 HB3 ASN 22 18.024 10.907 -4.269 658 HD21 ASN 22 HD21 ASN 22 15.738 11.084 -1.655 659 HD22 ASN 22 HD22 ASN 22 16.139 12.681 -1.126 660 H GLY 23 H GLY 23 13.908 9.473 -5.226 661 HA2 GLY 23 HA2 GLY 23 13.406 7.888 -6.897 662 HA3 GLY 23 HA3 GLY 23 15.110 7.587 -7.138 663 H GLU 24 H GLU 24 13.897 7.672 -3.887 664 HA GLU 24 HA GLU 24 14.488 4.850 -3.456 665 HB2 GLU 24 HB2 GLU 24 13.332 6.925 -1.535 666 HB3 GLU 24 HB3 GLU 24 13.766 5.281 -1.086 667 HG2 GLU 24 HG2 GLU 24 15.461 6.845 -0.352 668 HG3 GLU 24 HG3 GLU 24 16.117 5.745 -1.563 669 H THR 25 H THR 25 12.894 3.385 -2.442 670 HA THR 25 HA THR 25 10.042 4.048 -2.893 671 HB THR 25 HB THR 25 11.267 1.295 -3.395 672 HG1 THR 25 HG1 THR 25 11.708 3.070 -4.953 673 HG21 THR 25 HG21 THR 25 8.897 1.187 -2.660 674 HG22 THR 25 HG22 THR 25 9.071 0.717 -4.352 675 HG23 THR 25 HG23 THR 25 8.461 2.321 -3.945 676 H MET 26 H MET 26 8.652 3.218 -1.335 677 HA MET 26 HA MET 26 9.900 2.176 1.147 678 HB2 MET 26 HB2 MET 26 8.228 3.788 2.348 679 HB3 MET 26 HB3 MET 26 9.723 4.431 1.686 680 HG2 MET 26 HG2 MET 26 7.865 5.916 1.213 681 HG3 MET 26 HG3 MET 26 8.512 5.256 -0.291 682 HE1 MET 26 HE1 MET 26 6.133 3.495 2.343 683 HE2 MET 26 HE2 MET 26 4.563 3.963 1.686 684 HE3 MET 26 HE3 MET 26 5.653 5.195 2.326 685 H PHE 27 H PHE 27 7.070 2.158 -0.955 686 HA PHE 27 HA PHE 27 6.531 -0.464 0.156 687 HB2 PHE 27 HB2 PHE 27 4.316 -0.256 0.810 688 HB3 PHE 27 HB3 PHE 27 4.952 1.294 1.317 689 HD1 PHE 27 HD1 PHE 27 4.305 3.346 0.049 690 HD2 PHE 27 HD2 PHE 27 2.588 -0.427 -0.888 691 HE1 PHE 27 HE1 PHE 27 2.521 4.498 -1.106 692 HE2 PHE 27 HE2 PHE 27 0.800 0.754 -2.116 693 HZ PHE 27 HZ PHE 27 0.743 3.203 -2.220 694 H SER 28 H SER 28 5.239 -1.778 -1.123 695 HA SER 28 HA SER 28 4.372 -1.136 -3.790 696 HB2 SER 28 HB2 SER 28 6.878 -1.150 -4.123 697 HB3 SER 28 HB3 SER 28 6.930 -2.813 -3.547 698 HG SER 28 HG SER 28 6.394 -3.435 -5.475 699 H SER 29 H SER 29 3.739 -3.231 -5.005 700 HA SER 29 HA SER 29 3.817 -5.472 -5.362 701 HB2 SER 29 HB2 SER 29 4.421 -7.168 -3.779 702 HB3 SER 29 HB3 SER 29 5.460 -5.796 -3.428 703 HG SER 29 HG SER 29 3.379 -5.461 -1.901 704 H GLU 30 H GLU 30 1.596 -3.683 -4.544 705 HA GLU 30 HA GLU 30 -0.506 -5.682 -4.009 706 HB2 GLU 30 HB2 GLU 30 -1.653 -3.052 -4.062 707 HB3 GLU 30 HB3 GLU 30 -1.423 -4.093 -2.673 708 HG2 GLU 30 HG2 GLU 30 -0.511 -1.889 -2.235 709 HG3 GLU 30 HG3 GLU 30 0.774 -3.088 -2.248 710 H GLY 31 H GLY 31 -1.079 -2.666 -5.768 711 HA2 GLY 31 HA2 GLY 31 -1.524 -2.247 -8.037 712 HA3 GLY 31 HA3 GLY 31 -1.414 -3.969 -8.379 713 H TYR 32 H TYR 32 -3.132 -4.449 -5.979 714 HA TYR 32 HA TYR 32 -5.160 -4.451 -5.074 715 HB2 TYR 32 HB2 TYR 32 -5.291 -1.970 -5.682 716 HB3 TYR 32 HB3 TYR 32 -6.147 -2.441 -7.148 717 HD1 TYR 32 HD1 TYR 32 -6.540 -3.945 -3.738 718 HD2 TYR 32 HD2 TYR 32 -8.300 -1.445 -6.726 719 HE1 TYR 32 HE1 TYR 32 -8.623 -3.887 -2.453 720 HE2 TYR 32 HE2 TYR 32 -10.392 -1.392 -5.435 721 HH TYR 32 HH TYR 32 -10.581 -2.483 -2.207 722 H LYS 33 H LYS 33 -5.507 -4.221 -8.631 723 HA LYS 33 HA LYS 33 -6.294 -6.992 -8.869 724 HB2 LYS 33 HB2 LYS 33 -8.482 -6.096 -8.289 725 HB3 LYS 33 HB3 LYS 33 -8.289 -4.745 -9.391 726 HG2 LYS 33 HG2 LYS 33 -9.873 -6.328 -10.315 727 HG3 LYS 33 HG3 LYS 33 -8.428 -6.293 -11.323 728 HD2 LYS 33 HD2 LYS 33 -9.186 -8.590 -11.060 729 HD3 LYS 33 HD3 LYS 33 -7.642 -8.384 -10.229 730 HE2 LYS 33 HE2 LYS 33 -8.811 -8.188 -8.079 731 HE3 LYS 33 HE3 LYS 33 -10.370 -8.374 -8.888 732 HZ1 LYS 33 HZ1 LYS 33 -9.700 -10.578 -9.584 733 HZ2 LYS 33 HZ2 LYS 33 -9.603 -10.437 -7.906 734 HZ3 LYS 33 HZ3 LYS 33 -8.192 -10.394 -8.834 735 H ALA 34 H ALA 34 -6.396 -3.857 -10.511 736 HA ALA 34 HA ALA 34 -4.785 -4.818 -12.769 737 HB1 ALA 34 HB1 ALA 34 -7.136 -5.268 -13.429 738 HB2 ALA 34 HB2 ALA 34 -6.435 -3.981 -14.413 739 HB3 ALA 34 HB3 ALA 34 -7.559 -3.582 -13.108 740 H LYS 35 H LYS 35 -4.726 -2.556 -14.358 741 HA LYS 35 HA LYS 35 -3.339 -0.722 -12.646 742 HB2 LYS 35 HB2 LYS 35 -2.823 0.567 -14.647 743 HB3 LYS 35 HB3 LYS 35 -2.551 -1.137 -14.938 744 HG2 LYS 35 HG2 LYS 35 -3.558 -0.595 -16.921 745 HG3 LYS 35 HG3 LYS 35 -4.995 -1.018 -15.993 746 HD2 LYS 35 HD2 LYS 35 -5.327 1.421 -15.491 747 HD3 LYS 35 HD3 LYS 35 -3.936 1.787 -16.514 748 HE2 LYS 35 HE2 LYS 35 -5.138 0.744 -18.442 749 HE3 LYS 35 HE3 LYS 35 -6.540 0.504 -17.395 750 HZ1 LYS 35 HZ1 LYS 35 -5.325 3.101 -18.135 751 HZ2 LYS 35 HZ2 LYS 35 -6.626 2.909 -17.078 752 HZ3 LYS 35 HZ3 LYS 35 -6.791 2.485 -18.703 753 H ALA 36 H ALA 36 -6.483 -0.676 -14.334 754 HA ALA 36 HA ALA 36 -7.301 1.927 -13.728 755 HB1 ALA 36 HB1 ALA 36 -9.062 -0.540 -13.990 756 HB2 ALA 36 HB2 ALA 36 -8.525 0.496 -15.314 757 HB3 ALA 36 HB3 ALA 36 -9.613 1.137 -14.081 758 H SER 37 H SER 37 -7.766 -1.084 -11.889 759 HA SER 37 HA SER 37 -9.042 0.014 -9.607 760 HB2 SER 37 HB2 SER 37 -7.334 -2.507 -9.794 761 HB3 SER 37 HB3 SER 37 -8.540 -2.139 -8.553 762 HG SER 37 HG SER 37 -10.136 -2.394 -10.023 763 H ALA 38 H ALA 38 -5.700 -0.206 -10.625 764 HA ALA 38 HA ALA 38 -4.457 0.220 -8.107 765 HB1 ALA 38 HB1 ALA 38 -3.306 0.702 -10.873 766 HB2 ALA 38 HB2 ALA 38 -3.229 -0.810 -9.967 767 HB3 ALA 38 HB3 ALA 38 -2.392 0.623 -9.364 768 H ILE 39 H ILE 39 -5.061 2.533 -10.901 769 HA ILE 39 HA ILE 39 -4.239 4.874 -9.659 770 HB ILE 39 HB ILE 39 -6.483 4.533 -11.716 771 HG12 ILE 39 HG12 ILE 39 -4.693 5.991 -13.088 772 HG13 ILE 39 HG13 ILE 39 -3.566 5.360 -11.902 773 HG21 ILE 39 HG21 ILE 39 -5.438 7.176 -10.623 774 HG22 ILE 39 HG22 ILE 39 -7.069 6.532 -10.434 775 HG23 ILE 39 HG23 ILE 39 -6.495 7.013 -12.028 776 HD11 ILE 39 HD11 ILE 39 -3.559 4.125 -13.997 777 HD12 ILE 39 HD12 ILE 39 -5.254 3.698 -13.764 778 HD13 ILE 39 HD13 ILE 39 -4.029 3.106 -12.640 779 H HIS 40 H HIS 40 -7.505 3.398 -9.633 780 HA HIS 40 HA HIS 40 -8.867 5.356 -8.141 781 HB2 HIS 40 HB2 HIS 40 -9.488 2.371 -8.241 782 HB3 HIS 40 HB3 HIS 40 -10.607 3.638 -7.746 783 HD1 HIS 40 HD1 HIS 40 -11.392 1.748 -9.958 784 HD2 HIS 40 HD2 HIS 40 -9.457 5.350 -10.666 785 HE1 HIS 40 HE1 HIS 40 -11.939 2.354 -12.328 786 HE2 HIS 40 HE2 HIS 40 -10.592 4.424 -12.784 787 H ALA 41 H ALA 41 -7.153 2.386 -7.073 788 HA ALA 41 HA ALA 41 -7.581 2.529 -4.329 789 HB1 ALA 41 HB1 ALA 41 -5.499 1.199 -4.121 790 HB2 ALA 41 HB2 ALA 41 -5.095 1.559 -5.803 791 HB3 ALA 41 HB3 ALA 41 -6.516 0.586 -5.432 792 H ILE 42 H ILE 42 -4.855 3.807 -6.238 793 HA ILE 42 HA ILE 42 -3.543 5.223 -4.230 794 HB ILE 42 HB ILE 42 -3.627 5.704 -7.230 795 HG12 ILE 42 HG12 ILE 42 -1.461 4.314 -5.582 796 HG13 ILE 42 HG13 ILE 42 -2.809 3.443 -6.308 797 HG21 ILE 42 HG21 ILE 42 -1.493 6.944 -6.968 798 HG22 ILE 42 HG22 ILE 42 -1.648 6.829 -5.212 799 HG23 ILE 42 HG23 ILE 42 -2.831 7.751 -6.146 800 HD11 ILE 42 HD11 ILE 42 -0.806 5.071 -7.847 801 HD12 ILE 42 HD12 ILE 42 -2.092 4.049 -8.499 802 HD13 ILE 42 HD13 ILE 42 -0.754 3.325 -7.612 803 H GLU 43 H GLU 43 -6.467 6.084 -5.940 804 HA GLU 43 HA GLU 43 -6.309 8.905 -5.448 805 HB2 GLU 43 HB2 GLU 43 -8.698 7.196 -6.227 806 HB3 GLU 43 HB3 GLU 43 -8.731 8.953 -6.100 807 HG2 GLU 43 HG2 GLU 43 -7.223 7.260 -8.105 808 HG3 GLU 43 HG3 GLU 43 -8.468 8.462 -8.410 809 H SER 44 H SER 44 -7.537 6.103 -3.623 810 HA SER 44 HA SER 44 -8.675 7.364 -1.408 811 HB2 SER 44 HB2 SER 44 -6.818 4.971 -1.601 812 HB3 SER 44 HB3 SER 44 -7.463 5.483 -0.046 813 HG SER 44 HG SER 44 -9.573 5.173 -0.946 814 H ILE 45 H ILE 45 -5.260 7.115 -2.326 815 HA ILE 45 HA ILE 45 -4.245 7.992 0.175 816 HB ILE 45 HB ILE 45 -2.643 8.307 -2.406 817 HG12 ILE 45 HG12 ILE 45 -3.719 5.966 -2.343 818 HG13 ILE 45 HG13 ILE 45 -1.961 5.991 -2.395 819 HG21 ILE 45 HG21 ILE 45 -1.953 7.592 0.465 820 HG22 ILE 45 HG22 ILE 45 -1.676 9.155 -0.330 821 HG23 ILE 45 HG23 ILE 45 -0.772 7.733 -0.859 822 HD11 ILE 45 HD11 ILE 45 -2.816 4.298 -0.885 823 HD12 ILE 45 HD12 ILE 45 -3.637 5.533 0.064 824 HD13 ILE 45 HD13 ILE 45 -1.873 5.502 -0.014 825 H LYS 46 H LYS 46 -5.056 9.590 -2.894 826 HA LYS 46 HA LYS 46 -4.141 12.204 -2.217 827 HB2 LYS 46 HB2 LYS 46 -6.006 11.208 -4.400 828 HB3 LYS 46 HB3 LYS 46 -5.678 12.925 -4.190 829 HG2 LYS 46 HG2 LYS 46 -4.248 12.028 -5.934 830 HG3 LYS 46 HG3 LYS 46 -3.274 12.534 -4.553 831 HD2 LYS 46 HD2 LYS 46 -3.612 9.939 -3.884 832 HD3 LYS 46 HD3 LYS 46 -3.795 9.784 -5.625 833 HE2 LYS 46 HE2 LYS 46 -1.453 11.216 -4.428 834 HE3 LYS 46 HE3 LYS 46 -1.486 9.468 -4.523 835 HZ1 LYS 46 HZ1 LYS 46 -1.719 11.343 -6.807 836 HZ2 LYS 46 HZ2 LYS 46 -1.833 9.662 -6.928 837 HZ3 LYS 46 HZ3 LYS 46 -0.381 10.379 -6.442 838 H ARG 47 H ARG 47 -6.833 10.474 -1.255 839 HA ARG 47 HA ARG 47 -8.759 12.548 -0.852 840 HB2 ARG 47 HB2 ARG 47 -8.442 9.882 0.587 841 HB3 ARG 47 HB3 ARG 47 -9.776 10.985 0.901 842 HG2 ARG 47 HG2 ARG 47 -9.171 9.666 -1.758 843 HG3 ARG 47 HG3 ARG 47 -10.430 9.176 -0.622 844 HD2 ARG 47 HD2 ARG 47 -10.276 11.867 -2.023 845 HD3 ARG 47 HD3 ARG 47 -11.326 10.534 -2.503 846 HE ARG 47 HE ARG 47 -12.011 10.966 0.086 847 HH11 ARG 47 HH11 ARG 47 -11.868 13.091 -2.715 848 HH12 ARG 47 HH12 ARG 47 -13.124 14.132 -2.128 849 HH21 ARG 47 HH21 ARG 47 -13.637 12.322 0.837 850 HH22 ARG 47 HH22 ARG 47 -14.134 13.693 -0.105 851 H ASN 48 H ASN 48 -6.580 11.027 1.537 852 HA ASN 48 HA ASN 48 -5.958 13.404 2.972 853 HB2 ASN 48 HB2 ASN 48 -8.440 13.188 3.553 854 HB3 ASN 48 HB3 ASN 48 -8.050 11.708 4.413 855 HD21 ASN 48 HD21 ASN 48 -8.604 12.406 6.452 856 HD22 ASN 48 HD22 ASN 48 -7.801 13.679 7.293 857 H SER 49 H SER 49 -4.861 10.721 2.054 858 HA SER 49 HA SER 49 -4.308 9.092 4.324 859 HB2 SER 49 HB2 SER 49 -4.224 8.309 1.975 860 HB3 SER 49 HB3 SER 49 -2.758 9.256 1.729 861 HG SER 49 HG SER 49 -2.914 6.819 2.596 862 H ALA 50 H ALA 50 -2.502 11.767 2.811 863 HA ALA 50 HA ALA 50 -0.208 11.691 4.414 864 HB1 ALA 50 HB1 ALA 50 -0.417 13.123 2.422 865 HB2 ALA 50 HB2 ALA 50 0.104 14.054 3.830 866 HB3 ALA 50 HB3 ALA 50 -1.572 14.149 3.274 867 H GLY 51 H GLY 51 -3.445 12.820 5.137 868 HA2 GLY 51 HA2 GLY 51 -2.668 13.798 7.807 869 HA3 GLY 51 HA3 GLY 51 -4.222 14.017 7.017 870 H ALA 52 H ALA 52 -3.535 10.839 6.474 871 HA ALA 52 HA ALA 52 -5.279 9.813 8.480 872 HB1 ALA 52 HB1 ALA 52 -4.766 7.601 7.545 873 HB2 ALA 52 HB2 ALA 52 -3.419 8.283 6.624 874 HB3 ALA 52 HB3 ALA 52 -5.077 8.762 6.253 875 H ASP 53 H ASP 53 -4.623 7.937 9.926 876 HA ASP 53 HA ASP 53 -2.195 8.676 11.437 877 HB2 ASP 53 HB2 ASP 53 -4.522 8.519 12.545 878 HB3 ASP 53 HB3 ASP 53 -4.406 6.774 12.339 879 H THR 54 H THR 54 -0.877 6.913 12.326 880 HA THR 54 HA THR 54 -0.731 4.487 10.627 881 HB THR 54 HB THR 54 1.527 5.826 12.193 882 HG1 THR 54 HG1 THR 54 2.238 6.474 10.084 883 HG21 THR 54 HG21 THR 54 1.615 3.602 10.116 884 HG22 THR 54 HG22 THR 54 1.899 3.401 11.846 885 HG23 THR 54 HG23 THR 54 3.017 4.360 10.878 886 H VAL 55 H VAL 55 -1.881 2.994 11.768 887 HA VAL 55 HA VAL 55 -1.452 2.664 14.684 888 HB VAL 55 HB VAL 55 -3.717 1.456 13.031 889 HG11 VAL 55 HG11 VAL 55 -3.426 1.822 16.033 890 HG12 VAL 55 HG12 VAL 55 -3.334 0.302 15.141 891 HG13 VAL 55 HG13 VAL 55 -4.857 1.189 15.210 892 HG21 VAL 55 HG21 VAL 55 -5.180 3.273 13.846 893 HG22 VAL 55 HG22 VAL 55 -3.889 3.871 12.806 894 HG23 VAL 55 HG23 VAL 55 -3.780 4.083 14.558 895 H ASP 56 H ASP 56 -0.269 0.934 15.299 896 HA ASP 56 HA ASP 56 0.243 -1.287 13.428 897 HB2 ASP 56 HB2 ASP 56 2.205 -0.141 14.415 898 HB3 ASP 56 HB3 ASP 56 1.641 -0.545 16.032 899 H LEU 57 H LEU 57 -1.263 -2.838 13.585 900 HA LEU 57 HA LEU 57 -2.704 -3.533 15.956 901 HB2 LEU 57 HB2 LEU 57 -2.462 -5.071 13.349 902 HB3 LEU 57 HB3 LEU 57 -3.699 -5.297 14.579 903 HG LEU 57 HG LEU 57 -3.362 -2.863 12.783 904 HD11 LEU 57 HD11 LEU 57 -5.518 -3.570 11.836 905 HD12 LEU 57 HD12 LEU 57 -5.502 -5.003 12.865 906 HD13 LEU 57 HD13 LEU 57 -4.262 -4.787 11.628 907 HD21 LEU 57 HD21 LEU 57 -5.438 -1.999 13.812 908 HD22 LEU 57 HD22 LEU 57 -4.133 -2.116 14.986 909 HD23 LEU 57 HD23 LEU 57 -5.420 -3.324 14.981 910 H THR 58 H THR 58 0.422 -4.500 14.807 911 HA THR 58 HA THR 58 0.192 -7.217 15.942 912 HB THR 58 HB THR 58 1.034 -7.058 13.646 913 HG1 THR 58 HG1 THR 58 2.996 -7.960 15.479 914 HG21 THR 58 HG21 THR 58 3.418 -5.577 14.785 915 HG22 THR 58 HG22 THR 58 2.209 -4.905 13.690 916 HG23 THR 58 HG23 THR 58 3.282 -6.193 13.138 917 H THR 59 H THR 59 0.651 -4.429 17.356 918 HA THR 59 HA THR 59 2.806 -5.209 19.202 919 HB THR 59 HB THR 59 1.805 -3.129 20.501 920 HG1 THR 59 HG1 THR 59 0.876 -2.398 17.923 921 HG21 THR 59 HG21 THR 59 3.216 -2.672 17.849 922 HG22 THR 59 HG22 THR 59 4.000 -3.006 19.394 923 HG23 THR 59 HG23 THR 59 3.098 -1.506 19.169 924 H MET 60 H MET 60 -0.602 -5.360 18.688 925 HA MET 60 HA MET 60 -1.117 -6.638 21.311 926 HB2 MET 60 HB2 MET 60 -3.049 -5.410 19.279 927 HB3 MET 60 HB3 MET 60 -3.535 -6.196 20.778 928 HG2 MET 60 HG2 MET 60 -2.382 -4.453 22.070 929 HG3 MET 60 HG3 MET 60 -1.862 -3.677 20.576 930 HE1 MET 60 HE1 MET 60 -6.312 -3.939 21.824 931 HE2 MET 60 HE2 MET 60 -5.008 -4.730 22.708 932 HE3 MET 60 HE3 MET 60 -5.464 -5.307 21.104 933 H THR 61 H THR 61 -3.002 -8.315 20.993 934 HA THR 61 HA THR 61 -2.332 -10.161 18.801 935 HB THR 61 HB THR 61 -3.745 -11.793 20.147 936 HG1 THR 61 HG1 THR 61 -4.370 -11.217 22.200 937 HG21 THR 61 HG21 THR 61 -1.293 -11.822 20.362 938 HG22 THR 61 HG22 THR 61 -2.059 -12.171 21.914 939 HG23 THR 61 HG23 THR 61 -1.377 -10.571 21.608 940 H ALA 62 H ALA 62 -5.107 -8.522 20.306 941 HA ALA 62 HA ALA 62 -6.540 -8.252 17.832 942 HB1 ALA 62 HB1 ALA 62 -7.107 -10.607 18.310 943 HB2 ALA 62 HB2 ALA 62 -8.538 -9.586 18.474 944 HB3 ALA 62 HB3 ALA 62 -7.684 -10.163 19.909 Start of MODEL 15 1 H MET 1 H MET 1 -11.305 6.782 11.396 2 HA MET 1 HA MET 1 -11.898 7.863 8.709 3 HB2 MET 1 HB2 MET 1 -11.092 9.566 10.390 4 HB3 MET 1 HB3 MET 1 -9.644 8.606 10.633 5 HG2 MET 1 HG2 MET 1 -8.927 9.036 8.355 6 HG3 MET 1 HG3 MET 1 -10.432 9.880 8.003 7 HE1 MET 1 HE1 MET 1 -10.863 11.561 10.731 8 HE2 MET 1 HE2 MET 1 -11.110 12.227 9.115 9 HE3 MET 1 HE3 MET 1 -10.094 13.080 10.274 10 H TYR 2 H TYR 2 -10.307 7.296 7.099 11 HA TYR 2 HA TYR 2 -9.118 4.735 7.270 12 HB2 TYR 2 HB2 TYR 2 -7.770 5.638 5.159 13 HB3 TYR 2 HB3 TYR 2 -9.477 5.260 5.060 14 HD1 TYR 2 HD1 TYR 2 -7.581 8.362 6.182 15 HD2 TYR 2 HD2 TYR 2 -10.525 6.695 3.576 16 HE1 TYR 2 HE1 TYR 2 -8.082 10.595 5.291 17 HE2 TYR 2 HE2 TYR 2 -11.015 8.921 2.697 18 HH TYR 2 HH TYR 2 -10.852 11.252 3.507 19 H LYS 3 H LYS 3 -6.910 4.175 7.204 20 HA LYS 3 HA LYS 3 -4.827 5.811 8.167 21 HB2 LYS 3 HB2 LYS 3 -4.690 4.480 10.474 22 HB3 LYS 3 HB3 LYS 3 -5.631 5.952 10.349 23 HG2 LYS 3 HG2 LYS 3 -6.772 4.224 11.666 24 HG3 LYS 3 HG3 LYS 3 -7.708 4.669 10.238 25 HD2 LYS 3 HD2 LYS 3 -6.990 2.606 9.108 26 HD3 LYS 3 HD3 LYS 3 -5.957 2.188 10.480 27 HE2 LYS 3 HE2 LYS 3 -8.128 0.942 10.445 28 HE3 LYS 3 HE3 LYS 3 -7.887 1.890 11.913 29 HZ1 LYS 3 HZ1 LYS 3 -9.348 3.575 11.061 30 HZ2 LYS 3 HZ2 LYS 3 -10.137 2.082 11.007 31 HZ3 LYS 3 HZ3 LYS 3 -9.516 2.759 9.589 32 H PHE 4 H PHE 4 -3.072 4.285 9.170 33 HA PHE 4 HA PHE 4 -2.663 2.131 7.211 34 HB2 PHE 4 HB2 PHE 4 -0.664 3.694 8.903 35 HB3 PHE 4 HB3 PHE 4 -0.248 2.445 7.729 36 HD1 PHE 4 HD1 PHE 4 -1.445 5.909 8.151 37 HD2 PHE 4 HD2 PHE 4 -0.416 2.868 5.325 38 HE1 PHE 4 HE1 PHE 4 -1.424 7.585 6.355 39 HE2 PHE 4 HE2 PHE 4 -0.384 4.556 3.539 40 HZ PHE 4 HZ PHE 4 -0.891 6.901 4.059 41 H GLU 5 H GLU 5 -3.199 0.233 7.999 42 HA GLU 5 HA GLU 5 -2.947 -0.352 10.877 43 HB2 GLU 5 HB2 GLU 5 -4.441 -1.753 8.632 44 HB3 GLU 5 HB3 GLU 5 -4.212 -2.494 10.214 45 HG2 GLU 5 HG2 GLU 5 -5.327 -0.427 11.205 46 HG3 GLU 5 HG3 GLU 5 -5.755 0.029 9.551 47 H ILE 6 H ILE 6 -1.067 -1.210 11.505 48 HA ILE 6 HA ILE 6 0.647 -2.641 9.582 49 HB ILE 6 HB ILE 6 1.438 -1.459 12.290 50 HG12 ILE 6 HG12 ILE 6 1.948 -0.235 9.535 51 HG13 ILE 6 HG13 ILE 6 0.702 0.316 10.656 52 HG21 ILE 6 HG21 ILE 6 2.905 -3.307 11.527 53 HG22 ILE 6 HG22 ILE 6 3.778 -1.770 11.469 54 HG23 ILE 6 HG23 ILE 6 3.160 -2.489 9.981 55 HD11 ILE 6 HD11 ILE 6 3.676 0.349 11.121 56 HD12 ILE 6 HD12 ILE 6 2.455 0.877 12.282 57 HD13 ILE 6 HD13 ILE 6 2.646 1.729 10.754 58 H TYR 7 H TYR 7 0.608 -4.738 9.831 59 HA TYR 7 HA TYR 7 0.477 -5.944 12.500 60 HB2 TYR 7 HB2 TYR 7 -1.156 -7.659 11.645 61 HB3 TYR 7 HB3 TYR 7 -1.839 -6.034 11.731 62 HD1 TYR 7 HD1 TYR 7 -0.700 -8.725 9.457 63 HD2 TYR 7 HD2 TYR 7 -2.430 -4.819 9.684 64 HE1 TYR 7 HE1 TYR 7 -1.326 -8.860 7.085 65 HE2 TYR 7 HE2 TYR 7 -3.047 -4.960 7.311 66 HH TYR 7 HH TYR 7 -2.423 -6.147 5.329 67 H GLN 8 H GLN 8 0.874 -8.415 12.155 68 HA GLN 8 HA GLN 8 2.604 -8.961 9.823 69 HB2 GLN 8 HB2 GLN 8 4.160 -10.206 11.069 70 HB3 GLN 8 HB3 GLN 8 3.845 -8.812 12.088 71 HG2 GLN 8 HG2 GLN 8 2.174 -10.352 13.324 72 HG3 GLN 8 HG3 GLN 8 2.963 -11.671 12.480 73 HE21 GLN 8 HE21 GLN 8 5.246 -11.982 12.882 74 HE22 GLN 8 HE22 GLN 8 5.951 -11.508 14.372 75 H ASP 9 H ASP 9 2.525 -11.112 9.073 76 HA ASP 9 HA ASP 9 -0.058 -12.418 9.318 77 HB2 ASP 9 HB2 ASP 9 0.939 -12.117 7.089 78 HB3 ASP 9 HB3 ASP 9 2.396 -12.967 7.583 79 H LYS 10 H LYS 10 -0.138 -14.763 9.763 80 HA LYS 10 HA LYS 10 1.016 -15.662 12.075 81 HB2 LYS 10 HB2 LYS 10 0.345 -18.025 11.229 82 HB3 LYS 10 HB3 LYS 10 -0.905 -16.808 11.387 83 HG2 LYS 10 HG2 LYS 10 -1.439 -17.860 9.378 84 HG3 LYS 10 HG3 LYS 10 -0.617 -16.389 8.874 85 HD2 LYS 10 HD2 LYS 10 0.093 -18.287 7.508 86 HD3 LYS 10 HD3 LYS 10 1.443 -17.654 8.446 87 HE2 LYS 10 HE2 LYS 10 1.236 -19.494 10.050 88 HE3 LYS 10 HE3 LYS 10 -0.172 -20.123 9.188 89 HZ1 LYS 10 HZ1 LYS 10 1.833 -21.314 8.617 90 HZ2 LYS 10 HZ2 LYS 10 2.574 -19.891 8.090 91 HZ3 LYS 10 HZ3 LYS 10 1.229 -20.499 7.265 92 H ALA 11 H ALA 11 2.282 -15.993 8.850 93 HA ALA 11 HA ALA 11 4.574 -17.636 9.456 94 HB1 ALA 11 HB1 ALA 11 3.605 -17.515 7.200 95 HB2 ALA 11 HB2 ALA 11 5.314 -17.076 7.173 96 HB3 ALA 11 HB3 ALA 11 4.077 -15.819 7.072 97 H GLY 12 H GLY 12 4.029 -14.805 10.739 98 HA2 GLY 12 HA2 GLY 12 5.260 -13.299 11.891 99 HA3 GLY 12 HA3 GLY 12 6.713 -14.081 11.329 100 H GLU 13 H GLU 13 4.349 -12.992 8.991 101 HA GLU 13 HA GLU 13 6.541 -11.440 7.763 102 HB2 GLU 13 HB2 GLU 13 3.909 -12.455 6.614 103 HB3 GLU 13 HB3 GLU 13 5.062 -11.473 5.714 104 HG2 GLU 13 HG2 GLU 13 6.791 -13.272 6.123 105 HG3 GLU 13 HG3 GLU 13 5.502 -14.263 6.811 106 H TYR 14 H TYR 14 6.519 -9.490 8.891 107 HA TYR 14 HA TYR 14 4.362 -7.863 9.408 108 HB2 TYR 14 HB2 TYR 14 7.235 -7.060 8.796 109 HB3 TYR 14 HB3 TYR 14 6.004 -5.910 9.324 110 HD1 TYR 14 HD1 TYR 14 4.828 -6.293 11.543 111 HD2 TYR 14 HD2 TYR 14 8.333 -8.466 10.439 112 HE1 TYR 14 HE1 TYR 14 5.145 -6.955 13.888 113 HE2 TYR 14 HE2 TYR 14 8.660 -9.121 12.786 114 HH TYR 14 HH TYR 14 6.250 -8.723 15.168 115 H ARG 15 H ARG 15 2.961 -7.083 8.271 116 HA ARG 15 HA ARG 15 3.277 -5.996 5.538 117 HB2 ARG 15 HB2 ARG 15 0.985 -7.819 6.416 118 HB3 ARG 15 HB3 ARG 15 1.170 -7.087 4.825 119 HG2 ARG 15 HG2 ARG 15 2.900 -8.572 4.209 120 HG3 ARG 15 HG3 ARG 15 3.223 -9.036 5.884 121 HD2 ARG 15 HD2 ARG 15 1.053 -10.160 6.015 122 HD3 ARG 15 HD3 ARG 15 0.688 -9.672 4.362 123 HE ARG 15 HE ARG 15 3.100 -11.173 4.460 124 HH11 ARG 15 HH11 ARG 15 -0.380 -11.561 4.588 125 HH12 ARG 15 HH12 ARG 15 -0.347 -13.220 4.090 126 HH21 ARG 15 HH21 ARG 15 3.137 -13.371 3.793 127 HH22 ARG 15 HH22 ARG 15 1.645 -14.238 3.634 128 H PHE 16 H PHE 16 2.208 -4.038 5.391 129 HA PHE 16 HA PHE 16 0.007 -3.526 7.297 130 HB2 PHE 16 HB2 PHE 16 0.590 -1.183 7.436 131 HB3 PHE 16 HB3 PHE 16 1.973 -2.149 7.914 132 HD1 PHE 16 HD1 PHE 16 3.975 -2.264 6.447 133 HD2 PHE 16 HD2 PHE 16 0.691 0.300 5.517 134 HE1 PHE 16 HE1 PHE 16 5.410 -0.979 4.921 135 HE2 PHE 16 HE2 PHE 16 2.131 1.580 4.001 136 HZ PHE 16 HZ PHE 16 4.490 0.947 3.702 137 H ARG 17 H ARG 17 -1.376 -1.771 6.537 138 HA ARG 17 HA ARG 17 -1.857 -1.734 3.620 139 HB2 ARG 17 HB2 ARG 17 -4.258 -2.251 4.011 140 HB3 ARG 17 HB3 ARG 17 -3.213 -3.575 4.511 141 HG2 ARG 17 HG2 ARG 17 -3.455 -2.867 6.875 142 HG3 ARG 17 HG3 ARG 17 -4.533 -1.565 6.363 143 HD2 ARG 17 HD2 ARG 17 -6.183 -3.145 5.587 144 HD3 ARG 17 HD3 ARG 17 -5.075 -4.502 5.820 145 HE ARG 17 HE ARG 17 -6.088 -2.863 8.066 146 HH11 ARG 17 HH11 ARG 17 -5.558 -6.025 6.634 147 HH12 ARG 17 HH12 ARG 17 -6.026 -6.883 8.064 148 HH21 ARG 17 HH21 ARG 17 -6.664 -3.998 9.944 149 HH22 ARG 17 HH22 ARG 17 -6.650 -5.731 9.941 150 H PHE 18 H PHE 18 -3.631 -0.180 3.071 151 HA PHE 18 HA PHE 18 -4.084 1.942 5.099 152 HB2 PHE 18 HB2 PHE 18 -2.590 2.892 3.350 153 HB3 PHE 18 HB3 PHE 18 -3.720 2.394 2.099 154 HD1 PHE 18 HD1 PHE 18 -4.090 4.239 5.368 155 HD2 PHE 18 HD2 PHE 18 -4.743 4.267 1.146 156 HE1 PHE 18 HE1 PHE 18 -5.197 6.422 5.544 157 HE2 PHE 18 HE2 PHE 18 -5.828 6.467 1.323 158 HZ PHE 18 HZ PHE 18 -6.082 7.531 3.535 159 H LYS 19 H LYS 19 -6.133 2.614 5.230 160 HA LYS 19 HA LYS 19 -8.175 0.857 4.056 161 HB2 LYS 19 HB2 LYS 19 -8.195 2.702 6.496 162 HB3 LYS 19 HB3 LYS 19 -9.552 1.697 5.984 163 HG2 LYS 19 HG2 LYS 19 -6.819 0.653 6.830 164 HG3 LYS 19 HG3 LYS 19 -8.257 0.679 7.855 165 HD2 LYS 19 HD2 LYS 19 -8.043 -0.837 5.218 166 HD3 LYS 19 HD3 LYS 19 -7.794 -1.563 6.808 167 HE2 LYS 19 HE2 LYS 19 -10.122 -1.050 7.417 168 HE3 LYS 19 HE3 LYS 19 -10.378 -0.242 5.874 169 HZ1 LYS 19 HZ1 LYS 19 -9.755 -3.115 6.237 170 HZ2 LYS 19 HZ2 LYS 19 -10.015 -2.348 4.760 171 HZ3 LYS 19 HZ3 LYS 19 -11.278 -2.474 5.882 172 H ALA 20 H ALA 20 -10.375 2.110 4.121 173 HA ALA 20 HA ALA 20 -10.218 4.780 2.864 174 HB1 ALA 20 HB1 ALA 20 -12.084 2.515 2.047 175 HB2 ALA 20 HB2 ALA 20 -10.729 3.130 1.098 176 HB3 ALA 20 HB3 ALA 20 -12.126 4.161 1.411 177 H SER 21 H SER 21 -12.134 6.071 3.304 178 HA SER 21 HA SER 21 -13.073 6.243 5.841 179 HB2 SER 21 HB2 SER 21 -14.918 7.689 4.888 180 HB3 SER 21 HB3 SER 21 -13.317 8.065 4.244 181 HG SER 21 HG SER 21 -15.467 7.448 2.875 182 H ASN 22 H ASN 22 -14.397 4.129 3.369 183 HA ASN 22 HA ASN 22 -16.849 3.512 4.858 184 HB2 ASN 22 HB2 ASN 22 -15.796 2.306 2.269 185 HB3 ASN 22 HB3 ASN 22 -17.440 2.171 2.890 186 HD21 ASN 22 HD21 ASN 22 -15.878 3.491 0.524 187 HD22 ASN 22 HD22 ASN 22 -16.713 4.997 0.328 188 H GLY 23 H GLY 23 -13.818 2.636 5.418 189 HA2 GLY 23 HA2 GLY 23 -12.866 0.957 6.677 190 HA3 GLY 23 HA3 GLY 23 -14.419 0.138 6.721 191 H GLU 24 H GLU 24 -12.669 1.102 3.820 192 HA GLU 24 HA GLU 24 -12.604 -1.732 2.916 193 HB2 GLU 24 HB2 GLU 24 -12.460 0.790 1.206 194 HB3 GLU 24 HB3 GLU 24 -12.694 -0.863 0.642 195 HG2 GLU 24 HG2 GLU 24 -14.917 -0.930 1.582 196 HG3 GLU 24 HG3 GLU 24 -14.685 0.634 2.366 197 H THR 25 H THR 25 -10.555 -2.655 2.800 198 HA THR 25 HA THR 25 -8.148 -1.017 2.784 199 HB THR 25 HB THR 25 -8.431 -4.020 2.412 200 HG1 THR 25 HG1 THR 25 -8.061 -4.186 4.547 201 HG21 THR 25 HG21 THR 25 -6.293 -3.225 1.482 202 HG22 THR 25 HG22 THR 25 -6.026 -4.155 2.956 203 HG23 THR 25 HG23 THR 25 -5.945 -2.390 2.998 204 H MET 26 H MET 26 -6.973 -0.508 1.097 205 HA MET 26 HA MET 26 -7.957 -1.205 -1.625 206 HB2 MET 26 HB2 MET 26 -7.035 1.207 -2.185 207 HB3 MET 26 HB3 MET 26 -8.626 0.994 -1.474 208 HG2 MET 26 HG2 MET 26 -7.479 2.839 -0.418 209 HG3 MET 26 HG3 MET 26 -7.709 1.533 0.747 210 HE1 MET 26 HE1 MET 26 -5.047 1.775 -2.138 211 HE2 MET 26 HE2 MET 26 -3.735 2.581 -1.283 212 HE3 MET 26 HE3 MET 26 -5.262 3.425 -1.550 213 H PHE 27 H PHE 27 -5.080 -0.927 0.372 214 HA PHE 27 HA PHE 27 -4.006 -2.988 -1.284 215 HB2 PHE 27 HB2 PHE 27 -1.840 -2.015 -1.860 216 HB3 PHE 27 HB3 PHE 27 -3.149 -1.145 -2.621 217 HD1 PHE 27 HD1 PHE 27 -3.075 0.089 0.690 218 HD2 PHE 27 HD2 PHE 27 -0.848 0.161 -2.961 219 HE1 PHE 27 HE1 PHE 27 -2.128 2.265 1.290 220 HE2 PHE 27 HE2 PHE 27 0.076 2.343 -2.332 221 HZ PHE 27 HZ PHE 27 -0.573 3.396 -0.213 222 H SER 28 H SER 28 -1.776 -3.610 -0.535 223 HA SER 28 HA SER 28 -1.057 -3.423 2.220 224 HB2 SER 28 HB2 SER 28 -3.358 -4.374 2.530 225 HB3 SER 28 HB3 SER 28 -2.898 -5.773 1.566 226 HG SER 28 HG SER 28 -2.630 -6.381 3.628 227 H SER 29 H SER 29 0.191 -5.521 2.984 228 HA SER 29 HA SER 29 0.895 -7.655 2.698 229 HB2 SER 29 HB2 SER 29 0.595 -7.334 -0.318 230 HB3 SER 29 HB3 SER 29 0.993 -8.832 0.524 231 HG SER 29 HG SER 29 -1.422 -7.593 0.171 232 H GLU 30 H GLU 30 2.305 -4.835 1.605 233 HA GLU 30 HA GLU 30 4.872 -5.967 0.900 234 HB2 GLU 30 HB2 GLU 30 4.123 -3.826 -0.102 235 HB3 GLU 30 HB3 GLU 30 4.114 -3.072 1.488 236 HG2 GLU 30 HG2 GLU 30 6.119 -2.441 0.233 237 HG3 GLU 30 HG3 GLU 30 6.539 -3.352 1.675 238 H GLY 31 H GLY 31 4.571 -3.413 3.360 239 HA2 GLY 31 HA2 GLY 31 5.049 -3.517 5.692 240 HA3 GLY 31 HA3 GLY 31 5.661 -5.149 5.490 241 H TYR 32 H TYR 32 7.120 -4.028 3.034 242 HA TYR 32 HA TYR 32 8.981 -3.041 2.297 243 HB2 TYR 32 HB2 TYR 32 8.341 -1.000 3.553 244 HB3 TYR 32 HB3 TYR 32 9.145 -1.618 4.991 245 HD1 TYR 32 HD1 TYR 32 9.854 -0.741 1.398 246 HD2 TYR 32 HD2 TYR 32 11.419 -1.004 5.363 247 HE1 TYR 32 HE1 TYR 32 11.948 0.287 0.643 248 HE2 TYR 32 HE2 TYR 32 13.513 0.034 4.603 249 HH TYR 32 HH TYR 32 13.805 1.579 1.636 250 H LYS 33 H LYS 33 9.604 -3.728 5.774 251 HA LYS 33 HA LYS 33 11.539 -5.820 5.110 252 HB2 LYS 33 HB2 LYS 33 12.920 -3.798 4.999 253 HB3 LYS 33 HB3 LYS 33 12.329 -3.251 6.556 254 HG2 LYS 33 HG2 LYS 33 14.593 -4.102 6.762 255 HG3 LYS 33 HG3 LYS 33 13.484 -5.133 7.666 256 HD2 LYS 33 HD2 LYS 33 13.544 -6.811 5.876 257 HD3 LYS 33 HD3 LYS 33 14.561 -5.756 4.887 258 HE2 LYS 33 HE2 LYS 33 15.353 -6.932 7.578 259 HE3 LYS 33 HE3 LYS 33 15.858 -7.552 6.004 260 HZ1 LYS 33 HZ1 LYS 33 16.908 -5.382 5.574 261 HZ2 LYS 33 HZ2 LYS 33 17.581 -6.177 6.905 262 HZ3 LYS 33 HZ3 LYS 33 16.514 -4.888 7.143 263 H ALA 34 H ALA 34 10.489 -3.734 7.810 264 HA ALA 34 HA ALA 34 9.417 -5.998 9.331 265 HB1 ALA 34 HB1 ALA 34 11.575 -4.163 10.466 266 HB2 ALA 34 HB2 ALA 34 11.776 -5.875 10.091 267 HB3 ALA 34 HB3 ALA 34 10.677 -5.379 11.380 268 H LYS 35 H LYS 35 8.623 -4.661 11.690 269 HA LYS 35 HA LYS 35 6.540 -3.016 10.616 270 HB2 LYS 35 HB2 LYS 35 5.767 -2.774 12.969 271 HB3 LYS 35 HB3 LYS 35 6.000 -4.450 12.490 272 HG2 LYS 35 HG2 LYS 35 8.071 -4.592 13.737 273 HG3 LYS 35 HG3 LYS 35 8.024 -2.864 14.104 274 HD2 LYS 35 HD2 LYS 35 5.989 -3.189 15.436 275 HD3 LYS 35 HD3 LYS 35 5.990 -4.915 15.048 276 HE2 LYS 35 HE2 LYS 35 8.168 -5.163 16.213 277 HE3 LYS 35 HE3 LYS 35 8.148 -3.445 16.615 278 HZ1 LYS 35 HZ1 LYS 35 7.404 -4.803 18.455 279 HZ2 LYS 35 HZ2 LYS 35 6.167 -5.459 17.505 280 HZ3 LYS 35 HZ3 LYS 35 6.142 -3.817 17.901 281 H ALA 36 H ALA 36 9.427 -2.329 12.635 282 HA ALA 36 HA ALA 36 9.061 0.406 13.010 283 HB1 ALA 36 HB1 ALA 36 11.711 -1.044 12.658 284 HB2 ALA 36 HB2 ALA 36 10.819 -0.878 14.171 285 HB3 ALA 36 HB3 ALA 36 11.494 0.551 13.386 286 H SER 37 H SER 37 10.732 -1.296 10.372 287 HA SER 37 HA SER 37 11.361 0.947 8.756 288 HB2 SER 37 HB2 SER 37 10.933 -1.934 7.845 289 HB3 SER 37 HB3 SER 37 11.930 -0.699 7.065 290 HG SER 37 HG SER 37 13.453 -0.971 8.540 291 H ALA 38 H ALA 38 8.461 -0.932 9.212 292 HA ALA 38 HA ALA 38 7.043 -0.204 6.854 293 HB1 ALA 38 HB1 ALA 38 5.936 -1.109 9.542 294 HB2 ALA 38 HB2 ALA 38 6.362 -2.155 8.188 295 HB3 ALA 38 HB3 ALA 38 5.026 -1.013 8.029 296 H ILE 39 H ILE 39 7.033 1.181 10.238 297 HA ILE 39 HA ILE 39 5.362 3.338 9.770 298 HB ILE 39 HB ILE 39 7.736 3.114 11.670 299 HG12 ILE 39 HG12 ILE 39 5.767 3.497 13.380 300 HG13 ILE 39 HG13 ILE 39 4.710 3.135 12.022 301 HG21 ILE 39 HG21 ILE 39 5.990 5.588 11.372 302 HG22 ILE 39 HG22 ILE 39 7.727 5.479 11.082 303 HG23 ILE 39 HG23 ILE 39 7.098 5.295 12.717 304 HD11 ILE 39 HD11 ILE 39 5.066 1.232 13.459 305 HD12 ILE 39 HD12 ILE 39 6.805 1.312 13.177 306 HD13 ILE 39 HD13 ILE 39 5.708 0.929 11.846 307 H HIS 40 H HIS 40 8.909 3.131 9.201 308 HA HIS 40 HA HIS 40 9.362 5.777 8.371 309 HB2 HIS 40 HB2 HIS 40 10.835 3.205 7.701 310 HB3 HIS 40 HB3 HIS 40 11.373 4.763 7.081 311 HD1 HIS 40 HD1 HIS 40 13.261 5.589 8.434 312 HD2 HIS 40 HD2 HIS 40 10.472 3.606 10.779 313 HE1 HIS 40 HE1 HIS 40 14.167 5.671 10.773 314 HE2 HIS 40 HE2 HIS 40 12.335 4.690 12.192 315 H ALA 41 H ALA 41 8.474 2.920 6.423 316 HA ALA 41 HA ALA 41 8.256 4.069 3.920 317 HB1 ALA 41 HB1 ALA 41 6.478 1.910 5.127 318 HB2 ALA 41 HB2 ALA 41 8.050 1.644 4.371 319 HB3 ALA 41 HB3 ALA 41 6.701 2.238 3.402 320 H ILE 42 H ILE 42 5.694 3.714 6.377 321 HA ILE 42 HA ILE 42 3.669 5.164 5.110 322 HB ILE 42 HB ILE 42 4.189 4.682 8.064 323 HG12 ILE 42 HG12 ILE 42 2.210 3.243 6.240 324 HG13 ILE 42 HG13 ILE 42 3.867 2.683 6.447 325 HG21 ILE 42 HG21 ILE 42 1.773 5.158 8.432 326 HG22 ILE 42 HG22 ILE 42 1.626 5.672 6.748 327 HG23 ILE 42 HG23 ILE 42 2.650 6.580 7.866 328 HD11 ILE 42 HD11 ILE 42 1.850 2.963 8.656 329 HD12 ILE 42 HD12 ILE 42 3.478 2.282 8.776 330 HD13 ILE 42 HD13 ILE 42 2.251 1.475 7.801 331 H GLU 43 H GLU 43 6.448 6.320 6.902 332 HA GLU 43 HA GLU 43 5.481 8.930 7.490 333 HB2 GLU 43 HB2 GLU 43 8.329 7.882 7.311 334 HB3 GLU 43 HB3 GLU 43 7.927 9.525 7.816 335 HG2 GLU 43 HG2 GLU 43 6.531 8.517 9.667 336 HG3 GLU 43 HG3 GLU 43 7.177 6.944 9.220 337 H SER 44 H SER 44 7.099 7.499 4.661 338 HA SER 44 HA SER 44 7.497 9.779 3.088 339 HB2 SER 44 HB2 SER 44 6.583 6.986 2.354 340 HB3 SER 44 HB3 SER 44 6.919 8.201 1.125 341 HG SER 44 HG SER 44 8.627 6.767 2.787 342 H ILE 45 H ILE 45 4.513 8.001 3.805 343 HA ILE 45 HA ILE 45 2.954 9.188 1.737 344 HB ILE 45 HB ILE 45 1.588 8.065 4.233 345 HG12 ILE 45 HG12 ILE 45 3.443 6.427 3.563 346 HG13 ILE 45 HG13 ILE 45 1.813 5.769 3.488 347 HG21 ILE 45 HG21 ILE 45 -0.034 7.286 2.499 348 HG22 ILE 45 HG22 ILE 45 1.008 8.001 1.248 349 HG23 ILE 45 HG23 ILE 45 0.225 9.034 2.453 350 HD11 ILE 45 HD11 ILE 45 1.831 6.100 1.058 351 HD12 ILE 45 HD12 ILE 45 3.113 5.041 1.630 352 HD13 ILE 45 HD13 ILE 45 3.488 6.701 1.179 353 H LYS 46 H LYS 46 3.328 9.726 5.229 354 HA LYS 46 HA LYS 46 1.407 11.639 5.672 355 HB2 LYS 46 HB2 LYS 46 4.057 11.583 7.157 356 HB3 LYS 46 HB3 LYS 46 2.498 12.137 7.751 357 HG2 LYS 46 HG2 LYS 46 3.495 9.310 7.387 358 HG3 LYS 46 HG3 LYS 46 2.849 10.080 8.836 359 HD2 LYS 46 HD2 LYS 46 1.313 9.095 6.393 360 HD3 LYS 46 HD3 LYS 46 1.214 8.488 8.045 361 HE2 LYS 46 HE2 LYS 46 0.294 11.224 7.123 362 HE3 LYS 46 HE3 LYS 46 -0.736 9.848 7.405 363 HZ1 LYS 46 HZ1 LYS 46 -0.103 9.885 9.711 364 HZ2 LYS 46 HZ2 LYS 46 -0.731 11.376 9.248 365 HZ3 LYS 46 HZ3 LYS 46 0.936 11.185 9.433 366 H ARG 47 H ARG 47 4.358 12.021 4.070 367 HA ARG 47 HA ARG 47 4.973 14.722 4.693 368 HB2 ARG 47 HB2 ARG 47 5.827 13.168 2.216 369 HB3 ARG 47 HB3 ARG 47 6.552 14.655 2.806 370 HG2 ARG 47 HG2 ARG 47 6.743 11.880 3.966 371 HG3 ARG 47 HG3 ARG 47 8.042 12.949 3.432 372 HD2 ARG 47 HD2 ARG 47 6.309 13.282 5.898 373 HD3 ARG 47 HD3 ARG 47 8.004 12.810 5.868 374 HE ARG 47 HE ARG 47 7.941 15.268 4.645 375 HH11 ARG 47 HH11 ARG 47 7.000 14.063 7.816 376 HH12 ARG 47 HH12 ARG 47 7.227 15.598 8.585 377 HH21 ARG 47 HH21 ARG 47 8.198 17.259 5.672 378 HH22 ARG 47 HH22 ARG 47 7.907 17.408 7.373 379 H ASN 48 H ASN 48 3.378 13.300 1.830 380 HA ASN 48 HA ASN 48 1.798 15.533 1.110 381 HB2 ASN 48 HB2 ASN 48 4.189 16.483 0.764 382 HB3 ASN 48 HB3 ASN 48 4.297 15.430 -0.632 383 HD21 ASN 48 HD21 ASN 48 2.838 18.298 0.699 384 HD22 ASN 48 HD22 ASN 48 2.194 18.913 -0.780 385 H SER 49 H SER 49 2.029 12.488 1.007 386 HA SER 49 HA SER 49 2.057 11.619 -1.698 387 HB2 SER 49 HB2 SER 49 2.449 10.135 0.226 388 HB3 SER 49 HB3 SER 49 0.756 10.290 0.690 389 HG SER 49 HG SER 49 1.883 8.667 -1.122 390 H ALA 50 H ALA 50 -0.613 12.629 0.435 391 HA ALA 50 HA ALA 50 -2.761 12.157 -1.290 392 HB1 ALA 50 HB1 ALA 50 -3.992 13.807 0.052 393 HB2 ALA 50 HB2 ALA 50 -2.474 14.390 0.745 394 HB3 ALA 50 HB3 ALA 50 -3.023 12.749 1.081 395 H GLY 51 H GLY 51 -0.348 14.699 -1.349 396 HA2 GLY 51 HA2 GLY 51 -1.625 16.049 -3.646 397 HA3 GLY 51 HA3 GLY 51 -0.261 16.639 -2.717 398 H ALA 52 H ALA 52 0.514 13.492 -3.269 399 HA ALA 52 HA ALA 52 2.492 13.978 -5.240 400 HB1 ALA 52 HB1 ALA 52 1.377 11.298 -4.324 401 HB2 ALA 52 HB2 ALA 52 2.685 12.188 -3.537 402 HB3 ALA 52 HB3 ALA 52 2.909 11.563 -5.173 403 H ASP 53 H ASP 53 2.656 12.539 -7.301 404 HA ASP 53 HA ASP 53 0.178 12.865 -8.869 405 HB2 ASP 53 HB2 ASP 53 2.369 13.908 -9.642 406 HB3 ASP 53 HB3 ASP 53 2.983 12.284 -9.913 407 H THR 54 H THR 54 -0.462 11.164 -10.372 408 HA THR 54 HA THR 54 0.298 8.419 -9.527 409 HB THR 54 HB THR 54 -2.323 9.317 -10.809 410 HG1 THR 54 HG1 THR 54 -1.851 10.072 -8.593 411 HG21 THR 54 HG21 THR 54 -1.551 6.692 -9.494 412 HG22 THR 54 HG22 THR 54 -1.895 6.934 -11.209 413 HG23 THR 54 HG23 THR 54 -3.185 7.119 -10.012 414 H VAL 55 H VAL 55 1.888 7.900 -10.935 415 HA VAL 55 HA VAL 55 1.723 8.508 -13.817 416 HB VAL 55 HB VAL 55 4.106 7.415 -12.239 417 HG11 VAL 55 HG11 VAL 55 5.471 8.207 -14.148 418 HG12 VAL 55 HG12 VAL 55 4.006 8.730 -14.985 419 HG13 VAL 55 HG13 VAL 55 4.273 7.016 -14.660 420 HG21 VAL 55 HG21 VAL 55 3.520 10.325 -12.913 421 HG22 VAL 55 HG22 VAL 55 5.010 9.717 -12.186 422 HG23 VAL 55 HG23 VAL 55 3.488 9.602 -11.301 423 H ASP 56 H ASP 56 1.331 6.862 -15.262 424 HA ASP 56 HA ASP 56 1.481 4.029 -14.371 425 HB2 ASP 56 HB2 ASP 56 -0.758 4.960 -15.172 426 HB3 ASP 56 HB3 ASP 56 -0.056 5.081 -16.781 427 H LEU 57 H LEU 57 3.361 3.190 -14.942 428 HA LEU 57 HA LEU 57 4.890 3.987 -17.264 429 HB2 LEU 57 HB2 LEU 57 5.489 1.966 -15.064 430 HB3 LEU 57 HB3 LEU 57 6.610 2.399 -16.340 431 HG LEU 57 HG LEU 57 7.273 3.532 -14.319 432 HD11 LEU 57 HD11 LEU 57 7.605 4.794 -16.380 433 HD12 LEU 57 HD12 LEU 57 7.301 5.866 -15.015 434 HD13 LEU 57 HD13 LEU 57 6.021 5.554 -16.191 435 HD21 LEU 57 HD21 LEU 57 5.872 5.118 -13.107 436 HD22 LEU 57 HD22 LEU 57 5.156 3.507 -13.106 437 HD23 LEU 57 HD23 LEU 57 4.509 4.756 -14.172 438 H THR 58 H THR 58 2.558 1.523 -16.675 439 HA THR 58 HA THR 58 3.913 -0.457 -18.414 440 HB THR 58 HB THR 58 3.089 -1.281 -16.232 441 HG1 THR 58 HG1 THR 58 1.772 -2.412 -18.484 442 HG21 THR 58 HG21 THR 58 0.689 -1.581 -15.785 443 HG22 THR 58 HG22 THR 58 0.296 -0.716 -17.271 444 HG23 THR 58 HG23 THR 58 1.086 0.136 -15.943 445 H THR 59 H THR 59 1.959 2.054 -18.889 446 HA THR 59 HA THR 59 -0.495 1.666 -19.615 447 HB THR 59 HB THR 59 1.213 3.222 -21.525 448 HG1 THR 59 HG1 THR 59 0.624 3.768 -18.788 449 HG21 THR 59 HG21 THR 59 -1.485 3.780 -20.269 450 HG22 THR 59 HG22 THR 59 -1.222 3.247 -21.933 451 HG23 THR 59 HG23 THR 59 -0.650 4.833 -21.413 452 H MET 60 H MET 60 -1.135 -0.296 -20.324 453 HA MET 60 HA MET 60 0.318 -1.725 -22.385 454 HB2 MET 60 HB2 MET 60 -0.379 -2.739 -20.183 455 HB3 MET 60 HB3 MET 60 -2.056 -2.629 -20.692 456 HG2 MET 60 HG2 MET 60 -1.625 -4.193 -22.521 457 HG3 MET 60 HG3 MET 60 0.082 -4.262 -22.075 458 HE1 MET 60 HE1 MET 60 -0.148 -6.970 -22.021 459 HE2 MET 60 HE2 MET 60 -1.873 -6.868 -22.382 460 HE3 MET 60 HE3 MET 60 -1.314 -7.817 -21.005 461 H THR 61 H THR 61 -0.202 -0.485 -24.151 462 HA THR 61 HA THR 61 -2.678 -1.177 -25.540 463 HB THR 61 HB THR 61 -1.680 1.673 -25.389 464 HG1 THR 61 HG1 THR 61 -3.486 0.293 -23.833 465 HG21 THR 61 HG21 THR 61 -3.777 2.301 -26.538 466 HG22 THR 61 HG22 THR 61 -4.225 0.599 -26.656 467 HG23 THR 61 HG23 THR 61 -2.820 1.199 -27.536 468 H ALA 62 H ALA 62 0.691 -0.485 -25.484 469 HA ALA 62 HA ALA 62 0.946 -0.796 -28.413 470 HB1 ALA 62 HB1 ALA 62 2.749 0.881 -28.414 471 HB2 ALA 62 HB2 ALA 62 2.495 1.172 -26.690 472 HB3 ALA 62 HB3 ALA 62 1.231 1.584 -27.853 473 H MET 1 H MET 1 9.952 15.289 -8.450 474 HA MET 1 HA MET 1 9.415 14.695 -6.153 475 HB2 MET 1 HB2 MET 1 7.884 16.122 -7.576 476 HB3 MET 1 HB3 MET 1 7.010 14.672 -8.045 477 HG2 MET 1 HG2 MET 1 6.384 14.328 -5.668 478 HG3 MET 1 HG3 MET 1 7.181 15.848 -5.264 479 HE1 MET 1 HE1 MET 1 4.802 16.538 -4.086 480 HE2 MET 1 HE2 MET 1 4.070 15.029 -4.639 481 HE3 MET 1 HE3 MET 1 3.280 16.568 -4.976 482 H TYR 2 H TYR 2 8.319 13.217 -4.723 483 HA TYR 2 HA TYR 2 8.083 10.509 -5.512 484 HB2 TYR 2 HB2 TYR 2 6.726 10.261 -3.293 485 HB3 TYR 2 HB3 TYR 2 8.437 10.597 -3.248 486 HD1 TYR 2 HD1 TYR 2 6.430 13.586 -3.916 487 HD2 TYR 2 HD2 TYR 2 7.927 11.033 -0.825 488 HE1 TYR 2 HE1 TYR 2 6.139 15.383 -2.259 489 HE2 TYR 2 HE2 TYR 2 7.620 12.837 0.808 490 HH TYR 2 HH TYR 2 6.033 15.811 0.003 491 H LYS 3 H LYS 3 6.333 9.254 -5.899 492 HA LYS 3 HA LYS 3 3.715 10.163 -6.413 493 HB2 LYS 3 HB2 LYS 3 3.990 9.690 -9.039 494 HB3 LYS 3 HB3 LYS 3 4.211 11.294 -8.379 495 HG2 LYS 3 HG2 LYS 3 5.883 10.674 -10.111 496 HG3 LYS 3 HG3 LYS 3 6.600 11.143 -8.573 497 HD2 LYS 3 HD2 LYS 3 7.127 8.842 -8.038 498 HD3 LYS 3 HD3 LYS 3 6.214 8.254 -9.433 499 HE2 LYS 3 HE2 LYS 3 7.825 9.035 -10.971 500 HE3 LYS 3 HE3 LYS 3 8.581 10.117 -9.793 501 HZ1 LYS 3 HZ1 LYS 3 8.631 7.164 -9.625 502 HZ2 LYS 3 HZ2 LYS 3 9.483 8.249 -8.655 503 HZ3 LYS 3 HZ3 LYS 3 9.870 8.094 -10.294 504 H PHE 4 H PHE 4 2.638 8.492 -7.981 505 HA PHE 4 HA PHE 4 3.234 5.842 -6.862 506 HB2 PHE 4 HB2 PHE 4 0.684 7.086 -7.966 507 HB3 PHE 4 HB3 PHE 4 0.820 5.376 -7.549 508 HD1 PHE 4 HD1 PHE 4 1.052 4.661 -5.236 509 HD2 PHE 4 HD2 PHE 4 0.616 8.826 -6.168 510 HE1 PHE 4 HE1 PHE 4 0.572 5.146 -2.880 511 HE2 PHE 4 HE2 PHE 4 0.156 9.288 -3.799 512 HZ PHE 4 HZ PHE 4 0.136 7.450 -2.161 513 H GLU 5 H GLU 5 4.409 4.670 -8.176 514 HA GLU 5 HA GLU 5 4.232 5.019 -11.096 515 HB2 GLU 5 HB2 GLU 5 6.287 3.650 -9.329 516 HB3 GLU 5 HB3 GLU 5 6.256 3.431 -11.078 517 HG2 GLU 5 HG2 GLU 5 6.418 5.969 -11.270 518 HG3 GLU 5 HG3 GLU 5 6.754 5.987 -9.534 519 H ILE 6 H ILE 6 2.796 3.728 -12.101 520 HA ILE 6 HA ILE 6 1.891 1.210 -10.861 521 HB ILE 6 HB ILE 6 0.548 2.767 -13.119 522 HG12 ILE 6 HG12 ILE 6 -0.312 2.821 -10.191 523 HG13 ILE 6 HG13 ILE 6 0.679 4.078 -10.923 524 HG21 ILE 6 HG21 ILE 6 -0.542 0.548 -11.324 525 HG22 ILE 6 HG22 ILE 6 -0.045 0.354 -13.008 526 HG23 ILE 6 HG23 ILE 6 -1.438 1.371 -12.608 527 HD11 ILE 6 HD11 ILE 6 -2.093 3.292 -11.772 528 HD12 ILE 6 HD12 ILE 6 -1.113 4.564 -12.509 529 HD13 ILE 6 HD13 ILE 6 -1.646 4.712 -10.835 530 H TYR 7 H TYR 7 2.742 -0.512 -11.771 531 HA TYR 7 HA TYR 7 3.160 -0.626 -14.659 532 HB2 TYR 7 HB2 TYR 7 5.383 -1.721 -14.340 533 HB3 TYR 7 HB3 TYR 7 5.369 -0.049 -13.786 534 HD1 TYR 7 HD1 TYR 7 5.295 0.432 -11.296 535 HD2 TYR 7 HD2 TYR 7 5.866 -3.529 -12.808 536 HE1 TYR 7 HE1 TYR 7 6.122 -0.294 -9.097 537 HE2 TYR 7 HE2 TYR 7 6.694 -4.243 -10.613 538 HH TYR 7 HH TYR 7 6.294 -2.482 -7.828 539 H GLN 8 H GLN 8 3.800 -3.037 -15.175 540 HA GLN 8 HA GLN 8 2.560 -4.917 -13.268 541 HB2 GLN 8 HB2 GLN 8 1.571 -6.235 -14.969 542 HB3 GLN 8 HB3 GLN 8 1.180 -4.583 -15.419 543 HG2 GLN 8 HG2 GLN 8 3.229 -4.746 -16.982 544 HG3 GLN 8 HG3 GLN 8 3.142 -6.471 -16.700 545 HE21 GLN 8 HE21 GLN 8 0.230 -6.588 -16.607 546 HE22 GLN 8 HE22 GLN 8 -0.320 -6.354 -18.226 547 H ASP 9 H ASP 9 3.525 -6.992 -13.243 548 HA ASP 9 HA ASP 9 6.391 -7.025 -13.729 549 HB2 ASP 9 HB2 ASP 9 5.390 -7.888 -11.580 550 HB3 ASP 9 HB3 ASP 9 4.538 -9.126 -12.493 551 H LYS 10 H LYS 10 7.334 -8.901 -14.885 552 HA LYS 10 HA LYS 10 6.533 -9.350 -17.479 553 HB2 LYS 10 HB2 LYS 10 8.785 -9.826 -16.543 554 HB3 LYS 10 HB3 LYS 10 8.138 -11.237 -15.710 555 HG2 LYS 10 HG2 LYS 10 7.498 -12.130 -18.026 556 HG3 LYS 10 HG3 LYS 10 8.469 -10.812 -18.689 557 HD2 LYS 10 HD2 LYS 10 10.430 -11.704 -17.369 558 HD3 LYS 10 HD3 LYS 10 9.422 -13.085 -16.913 559 HE2 LYS 10 HE2 LYS 10 10.838 -13.715 -18.785 560 HE3 LYS 10 HE3 LYS 10 9.166 -13.631 -19.344 561 HZ1 LYS 10 HZ1 LYS 10 9.621 -11.457 -20.280 562 HZ2 LYS 10 HZ2 LYS 10 10.699 -12.601 -20.905 563 HZ3 LYS 10 HZ3 LYS 10 11.217 -11.514 -19.717 564 H ALA 11 H ALA 11 5.707 -11.197 -14.622 565 HA ALA 11 HA ALA 11 4.188 -13.293 -15.861 566 HB1 ALA 11 HB1 ALA 11 3.431 -13.830 -13.568 567 HB2 ALA 11 HB2 ALA 11 4.079 -12.292 -12.991 568 HB3 ALA 11 HB3 ALA 11 5.171 -13.527 -13.615 569 H GLY 12 H GLY 12 3.479 -10.214 -16.134 570 HA2 GLY 12 HA2 GLY 12 1.689 -9.001 -16.819 571 HA3 GLY 12 HA3 GLY 12 0.697 -10.432 -16.664 572 H GLU 13 H GLU 13 2.576 -9.362 -13.925 573 HA GLU 13 HA GLU 13 0.067 -9.283 -12.380 574 HB2 GLU 13 HB2 GLU 13 2.979 -9.511 -11.544 575 HB3 GLU 13 HB3 GLU 13 1.676 -9.306 -10.378 576 HG2 GLU 13 HG2 GLU 13 1.900 -11.623 -12.327 577 HG3 GLU 13 HG3 GLU 13 2.446 -11.657 -10.649 578 H TYR 14 H TYR 14 -0.766 -7.219 -12.834 579 HA TYR 14 HA TYR 14 0.527 -4.795 -12.654 580 HB2 TYR 14 HB2 TYR 14 -2.360 -5.479 -11.988 581 HB3 TYR 14 HB3 TYR 14 -1.755 -3.823 -11.996 582 HD1 TYR 14 HD1 TYR 14 -0.602 -2.987 -14.154 583 HD2 TYR 14 HD2 TYR 14 -3.100 -6.444 -14.040 584 HE1 TYR 14 HE1 TYR 14 -0.915 -2.835 -16.584 585 HE2 TYR 14 HE2 TYR 14 -3.400 -6.299 -16.476 586 HH TYR 14 HH TYR 14 -1.494 -4.339 -18.451 587 H ARG 15 H ARG 15 1.595 -3.947 -11.225 588 HA ARG 15 HA ARG 15 1.059 -4.009 -8.322 589 HB2 ARG 15 HB2 ARG 15 3.771 -4.562 -9.636 590 HB3 ARG 15 HB3 ARG 15 3.527 -4.344 -7.903 591 HG2 ARG 15 HG2 ARG 15 2.377 -6.400 -7.684 592 HG3 ARG 15 HG3 ARG 15 2.083 -6.529 -9.420 593 HD2 ARG 15 HD2 ARG 15 4.444 -6.932 -9.827 594 HD3 ARG 15 HD3 ARG 15 4.803 -6.699 -8.117 595 HE ARG 15 HE ARG 15 2.904 -8.747 -8.328 596 HH11 ARG 15 HH11 ARG 15 6.293 -8.249 -9.151 597 HH12 ARG 15 HH12 ARG 15 6.667 -9.941 -9.090 598 HH21 ARG 15 HH21 ARG 15 3.416 -10.958 -8.267 599 HH22 ARG 15 HH22 ARG 15 5.038 -11.475 -8.618 600 H PHE 16 H PHE 16 1.294 -1.965 -7.462 601 HA PHE 16 HA PHE 16 2.991 -0.052 -8.945 602 HB2 PHE 16 HB2 PHE 16 1.532 1.790 -8.364 603 HB3 PHE 16 HB3 PHE 16 0.616 0.578 -9.236 604 HD1 PHE 16 HD1 PHE 16 -1.090 -0.788 -8.047 605 HD2 PHE 16 HD2 PHE 16 0.962 2.401 -6.087 606 HE1 PHE 16 HE1 PHE 16 -2.846 -0.718 -6.325 607 HE2 PHE 16 HE2 PHE 16 -0.797 2.465 -4.377 608 HZ PHE 16 HZ PHE 16 -2.704 0.910 -4.494 609 H ARG 17 H ARG 17 3.613 1.758 -7.562 610 HA ARG 17 HA ARG 17 4.232 1.033 -4.764 611 HB2 ARG 17 HB2 ARG 17 6.613 1.680 -5.145 612 HB3 ARG 17 HB3 ARG 17 6.144 0.261 -6.074 613 HG2 ARG 17 HG2 ARG 17 5.918 1.644 -8.099 614 HG3 ARG 17 HG3 ARG 17 6.378 3.076 -7.173 615 HD2 ARG 17 HD2 ARG 17 8.591 2.205 -6.794 616 HD3 ARG 17 HD3 ARG 17 8.151 0.629 -7.463 617 HE ARG 17 HE ARG 17 8.278 3.121 -9.060 618 HH11 ARG 17 HH11 ARG 17 9.040 -0.282 -8.697 619 HH12 ARG 17 HH12 ARG 17 9.547 -0.468 -10.340 620 HH21 ARG 17 HH21 ARG 17 8.927 2.864 -11.220 621 HH22 ARG 17 HH22 ARG 17 9.466 1.314 -11.780 622 H PHE 18 H PHE 18 5.292 2.885 -3.625 623 HA PHE 18 HA PHE 18 4.752 5.546 -4.823 624 HB2 PHE 18 HB2 PHE 18 3.129 5.223 -2.969 625 HB3 PHE 18 HB3 PHE 18 4.443 4.820 -1.871 626 HD1 PHE 18 HD1 PHE 18 3.869 7.620 -4.330 627 HD2 PHE 18 HD2 PHE 18 4.703 6.520 -0.290 628 HE1 PHE 18 HE1 PHE 18 4.036 9.988 -3.711 629 HE2 PHE 18 HE2 PHE 18 4.842 8.891 0.334 630 HZ PHE 18 HZ PHE 18 4.542 10.630 -1.392 631 H LYS 19 H LYS 19 6.358 6.961 -4.605 632 HA LYS 19 HA LYS 19 8.999 5.881 -3.922 633 HB2 LYS 19 HB2 LYS 19 8.135 8.285 -5.604 634 HB3 LYS 19 HB3 LYS 19 9.804 7.763 -5.370 635 HG2 LYS 19 HG2 LYS 19 7.626 6.088 -6.680 636 HG3 LYS 19 HG3 LYS 19 8.852 7.017 -7.552 637 HD2 LYS 19 HD2 LYS 19 9.450 4.756 -5.595 638 HD3 LYS 19 HD3 LYS 19 9.397 4.571 -7.348 639 HE2 LYS 19 HE2 LYS 19 11.293 6.095 -7.598 640 HE3 LYS 19 HE3 LYS 19 11.297 6.443 -5.871 641 HZ1 LYS 19 HZ1 LYS 19 11.826 4.107 -5.474 642 HZ2 LYS 19 HZ2 LYS 19 13.006 4.874 -6.416 643 HZ3 LYS 19 HZ3 LYS 19 11.888 3.837 -7.137 644 H ALA 20 H ALA 20 10.525 7.841 -3.419 645 HA ALA 20 HA ALA 20 9.415 9.669 -1.383 646 HB1 ALA 20 HB1 ALA 20 11.467 9.383 -0.047 647 HB2 ALA 20 HB2 ALA 20 12.070 8.184 -1.194 648 HB3 ALA 20 HB3 ALA 20 10.631 7.841 -0.233 649 H SER 21 H SER 21 10.630 11.672 -1.244 650 HA SER 21 HA SER 21 11.265 12.992 -3.523 651 HB2 SER 21 HB2 SER 21 12.425 14.681 -2.051 652 HB3 SER 21 HB3 SER 21 10.855 14.156 -1.441 653 HG SER 21 HG SER 21 12.744 14.241 0.069 654 H ASN 22 H ASN 22 13.481 10.903 -1.764 655 HA ASN 22 HA ASN 22 15.867 11.814 -3.196 656 HB2 ASN 22 HB2 ASN 22 15.850 11.224 -0.738 657 HB3 ASN 22 HB3 ASN 22 15.571 9.546 -1.174 658 HD21 ASN 22 HD21 ASN 22 17.300 8.350 -2.066 659 HD22 ASN 22 HD22 ASN 22 18.933 8.897 -1.967 660 H GLY 23 H GLY 23 13.389 10.054 -4.215 661 HA2 GLY 23 HA2 GLY 23 13.082 8.647 -6.021 662 HA3 GLY 23 HA3 GLY 23 14.824 8.571 -6.223 663 H GLU 24 H GLU 24 12.977 7.732 -3.332 664 HA GLU 24 HA GLU 24 14.139 5.000 -3.386 665 HB2 GLU 24 HB2 GLU 24 13.237 6.653 -0.981 666 HB3 GLU 24 HB3 GLU 24 13.975 5.051 -0.917 667 HG2 GLU 24 HG2 GLU 24 16.063 5.985 -1.845 668 HG3 GLU 24 HG3 GLU 24 15.320 7.585 -1.910 669 H THR 25 H THR 25 12.629 3.373 -3.719 670 HA THR 25 HA THR 25 9.793 3.839 -3.312 671 HB THR 25 HB THR 25 11.244 1.253 -3.939 672 HG1 THR 25 HG1 THR 25 10.671 1.641 -6.034 673 HG21 THR 25 HG21 THR 25 9.063 0.780 -2.880 674 HG22 THR 25 HG22 THR 25 9.028 0.362 -4.593 675 HG23 THR 25 HG23 THR 25 8.276 1.859 -4.037 676 H MET 26 H MET 26 8.628 3.252 -1.643 677 HA MET 26 HA MET 26 9.981 2.172 0.777 678 HB2 MET 26 HB2 MET 26 8.227 3.707 2.006 679 HB3 MET 26 HB3 MET 26 9.722 4.378 1.375 680 HG2 MET 26 HG2 MET 26 7.870 5.849 0.883 681 HG3 MET 26 HG3 MET 26 8.517 5.192 -0.621 682 HE1 MET 26 HE1 MET 26 4.600 3.870 1.364 683 HE2 MET 26 HE2 MET 26 5.690 5.109 2.000 684 HE3 MET 26 HE3 MET 26 6.177 3.411 2.000 685 H PHE 27 H PHE 27 7.102 1.940 -1.223 686 HA PHE 27 HA PHE 27 7.019 -0.793 -0.401 687 HB2 PHE 27 HB2 PHE 27 4.699 -1.011 0.311 688 HB3 PHE 27 HB3 PHE 27 5.585 0.042 1.392 689 HD1 PHE 27 HD1 PHE 27 4.869 2.165 -1.287 690 HD2 PHE 27 HD2 PHE 27 2.914 0.038 1.870 691 HE1 PHE 27 HE1 PHE 27 3.070 3.832 -1.250 692 HE2 PHE 27 HE2 PHE 27 1.132 1.722 1.876 693 HZ PHE 27 HZ PHE 27 1.222 3.622 0.324 694 H SER 28 H SER 28 5.208 -1.975 -1.479 695 HA SER 28 HA SER 28 4.268 -1.190 -4.045 696 HB2 SER 28 HB2 SER 28 6.804 -1.058 -4.411 697 HB3 SER 28 HB3 SER 28 6.863 -2.806 -4.186 698 HG SER 28 HG SER 28 5.144 -1.601 -6.090 699 H SER 29 H SER 29 3.874 -3.237 -5.523 700 HA SER 29 HA SER 29 4.089 -5.436 -5.996 701 HB2 SER 29 HB2 SER 29 5.746 -5.820 -4.174 702 HB3 SER 29 HB3 SER 29 4.424 -6.052 -3.033 703 HG SER 29 HG SER 29 3.779 -7.865 -4.251 704 H GLU 30 H GLU 30 1.772 -3.914 -4.293 705 HA GLU 30 HA GLU 30 -0.114 -6.099 -4.020 706 HB2 GLU 30 HB2 GLU 30 -1.435 -3.526 -3.790 707 HB3 GLU 30 HB3 GLU 30 -1.122 -4.714 -2.537 708 HG2 GLU 30 HG2 GLU 30 -0.221 -2.668 -1.749 709 HG3 GLU 30 HG3 GLU 30 1.158 -3.652 -2.212 710 H GLY 31 H GLY 31 -0.977 -3.011 -5.527 711 HA2 GLY 31 HA2 GLY 31 -1.530 -2.541 -7.788 712 HA3 GLY 31 HA3 GLY 31 -1.452 -4.254 -8.160 713 H TYR 32 H TYR 32 -3.059 -4.603 -5.562 714 HA TYR 32 HA TYR 32 -5.104 -4.759 -4.697 715 HB2 TYR 32 HB2 TYR 32 -5.393 -2.317 -5.230 716 HB3 TYR 32 HB3 TYR 32 -6.091 -2.767 -6.784 717 HD1 TYR 32 HD1 TYR 32 -6.580 -3.749 -3.164 718 HD2 TYR 32 HD2 TYR 32 -8.460 -2.624 -6.835 719 HE1 TYR 32 HE1 TYR 32 -8.780 -3.939 -2.098 720 HE2 TYR 32 HE2 TYR 32 -10.662 -2.812 -5.759 721 HH TYR 32 HH TYR 32 -11.037 -3.155 -2.366 722 H LYS 33 H LYS 33 -5.645 -4.465 -8.234 723 HA LYS 33 HA LYS 33 -6.561 -7.239 -8.419 724 HB2 LYS 33 HB2 LYS 33 -8.603 -6.047 -7.752 725 HB3 LYS 33 HB3 LYS 33 -8.368 -4.858 -9.021 726 HG2 LYS 33 HG2 LYS 33 -10.121 -6.349 -9.687 727 HG3 LYS 33 HG3 LYS 33 -8.725 -6.649 -10.724 728 HD2 LYS 33 HD2 LYS 33 -8.171 -8.669 -9.420 729 HD3 LYS 33 HD3 LYS 33 -9.506 -8.337 -8.310 730 HE2 LYS 33 HE2 LYS 33 -11.106 -8.595 -10.214 731 HE3 LYS 33 HE3 LYS 33 -9.754 -9.008 -11.269 732 HZ1 LYS 33 HZ1 LYS 33 -10.634 -10.528 -8.879 733 HZ2 LYS 33 HZ2 LYS 33 -9.318 -10.929 -9.855 734 HZ3 LYS 33 HZ3 LYS 33 -10.883 -10.973 -10.491 735 H ALA 34 H ALA 34 -6.595 -4.160 -10.229 736 HA ALA 34 HA ALA 34 -4.814 -5.194 -12.319 737 HB1 ALA 34 HB1 ALA 34 -6.351 -4.484 -14.143 738 HB2 ALA 34 HB2 ALA 34 -7.593 -4.101 -12.949 739 HB3 ALA 34 HB3 ALA 34 -7.067 -5.770 -13.167 740 H LYS 35 H LYS 35 -4.791 -2.964 -14.064 741 HA LYS 35 HA LYS 35 -3.433 -1.097 -12.377 742 HB2 LYS 35 HB2 LYS 35 -2.667 0.006 -14.316 743 HB3 LYS 35 HB3 LYS 35 -2.715 -1.686 -14.762 744 HG2 LYS 35 HG2 LYS 35 -4.818 0.358 -15.539 745 HG3 LYS 35 HG3 LYS 35 -3.452 -0.100 -16.548 746 HD2 LYS 35 HD2 LYS 35 -4.292 -2.369 -16.765 747 HD3 LYS 35 HD3 LYS 35 -5.589 -2.043 -15.608 748 HE2 LYS 35 HE2 LYS 35 -6.570 -0.385 -17.163 749 HE3 LYS 35 HE3 LYS 35 -5.270 -0.687 -18.317 750 HZ1 LYS 35 HZ1 LYS 35 -6.035 -2.949 -18.549 751 HZ2 LYS 35 HZ2 LYS 35 -7.298 -1.875 -18.879 752 HZ3 LYS 35 HZ3 LYS 35 -7.251 -2.697 -17.404 753 H ALA 36 H ALA 36 -6.501 -0.978 -14.241 754 HA ALA 36 HA ALA 36 -7.239 1.655 -13.680 755 HB1 ALA 36 HB1 ALA 36 -9.085 -0.732 -14.037 756 HB2 ALA 36 HB2 ALA 36 -8.412 0.254 -15.335 757 HB3 ALA 36 HB3 ALA 36 -9.549 0.966 -14.188 758 H SER 37 H SER 37 -7.968 -1.331 -11.879 759 HA SER 37 HA SER 37 -9.276 -0.151 -9.657 760 HB2 SER 37 HB2 SER 37 -7.782 -2.793 -9.901 761 HB3 SER 37 HB3 SER 37 -8.833 -2.350 -8.552 762 HG SER 37 HG SER 37 -10.563 -2.273 -9.950 763 H ALA 38 H ALA 38 -5.915 -0.503 -10.505 764 HA ALA 38 HA ALA 38 -4.753 -0.084 -7.946 765 HB1 ALA 38 HB1 ALA 38 -3.537 0.453 -10.682 766 HB2 ALA 38 HB2 ALA 38 -3.445 -1.063 -9.785 767 HB3 ALA 38 HB3 ALA 38 -2.664 0.385 -9.152 768 H ILE 39 H ILE 39 -5.510 2.215 -10.686 769 HA ILE 39 HA ILE 39 -4.775 4.575 -9.418 770 HB ILE 39 HB ILE 39 -7.000 4.095 -11.449 771 HG12 ILE 39 HG12 ILE 39 -5.463 5.633 -12.861 772 HG13 ILE 39 HG13 ILE 39 -4.264 5.441 -11.587 773 HG21 ILE 39 HG21 ILE 39 -7.293 6.566 -11.690 774 HG22 ILE 39 HG22 ILE 39 -6.277 6.807 -10.265 775 HG23 ILE 39 HG23 ILE 39 -7.824 5.973 -10.116 776 HD11 ILE 39 HD11 ILE 39 -3.848 3.989 -13.463 777 HD12 ILE 39 HD12 ILE 39 -5.438 3.253 -13.277 778 HD13 ILE 39 HD13 ILE 39 -4.215 3.046 -12.020 779 H HIS 40 H HIS 40 -7.922 2.837 -9.219 780 HA HIS 40 HA HIS 40 -9.308 4.662 -7.601 781 HB2 HIS 40 HB2 HIS 40 -9.617 1.656 -7.921 782 HB3 HIS 40 HB3 HIS 40 -10.680 2.583 -6.865 783 HD1 HIS 40 HD1 HIS 40 -12.175 4.443 -8.050 784 HD2 HIS 40 HD2 HIS 40 -10.285 1.777 -10.609 785 HE1 HIS 40 HE1 HIS 40 -13.340 4.686 -10.257 786 HE2 HIS 40 HE2 HIS 40 -12.296 2.946 -11.729 787 H ALA 41 H ALA 41 -7.245 1.913 -6.629 788 HA ALA 41 HA ALA 41 -7.329 2.182 -3.874 789 HB1 ALA 41 HB1 ALA 41 -4.942 1.390 -5.594 790 HB2 ALA 41 HB2 ALA 41 -6.228 0.307 -5.056 791 HB3 ALA 41 HB3 ALA 41 -5.146 1.040 -3.873 792 H ILE 42 H ILE 42 -5.010 3.667 -6.141 793 HA ILE 42 HA ILE 42 -3.627 5.288 -4.333 794 HB ILE 42 HB ILE 42 -4.100 5.706 -7.308 795 HG12 ILE 42 HG12 ILE 42 -1.653 4.480 -5.959 796 HG13 ILE 42 HG13 ILE 42 -3.014 3.503 -6.496 797 HG21 ILE 42 HG21 ILE 42 -2.031 7.085 -7.277 798 HG22 ILE 42 HG22 ILE 42 -1.979 6.953 -5.517 799 HG23 ILE 42 HG23 ILE 42 -3.316 7.797 -6.301 800 HD11 ILE 42 HD11 ILE 42 -1.174 3.488 -8.071 801 HD12 ILE 42 HD12 ILE 42 -1.315 5.235 -8.273 802 HD13 ILE 42 HD13 ILE 42 -2.636 4.172 -8.776 803 H GLU 43 H GLU 43 -6.750 5.790 -5.836 804 HA GLU 43 HA GLU 43 -6.930 8.605 -5.483 805 HB2 GLU 43 HB2 GLU 43 -9.106 6.525 -5.887 806 HB3 GLU 43 HB3 GLU 43 -9.441 8.249 -5.735 807 HG2 GLU 43 HG2 GLU 43 -7.965 8.653 -7.719 808 HG3 GLU 43 HG3 GLU 43 -7.807 6.911 -7.910 809 H SER 44 H SER 44 -7.634 5.828 -3.382 810 HA SER 44 HA SER 44 -8.807 7.138 -1.195 811 HB2 SER 44 HB2 SER 44 -6.856 4.817 -1.351 812 HB3 SER 44 HB3 SER 44 -7.529 5.346 0.186 813 HG SER 44 HG SER 44 -9.081 4.611 -2.092 814 H ILE 45 H ILE 45 -5.418 6.990 -2.238 815 HA ILE 45 HA ILE 45 -4.320 7.951 0.206 816 HB ILE 45 HB ILE 45 -2.793 8.324 -2.416 817 HG12 ILE 45 HG12 ILE 45 -3.818 5.982 -2.462 818 HG13 ILE 45 HG13 ILE 45 -2.059 6.011 -2.459 819 HG21 ILE 45 HG21 ILE 45 -1.802 9.107 -0.322 820 HG22 ILE 45 HG22 ILE 45 -0.892 7.716 -0.914 821 HG23 ILE 45 HG23 ILE 45 -2.047 7.519 0.423 822 HD11 ILE 45 HD11 ILE 45 -2.885 4.277 -1.043 823 HD12 ILE 45 HD12 ILE 45 -3.848 5.425 -0.118 824 HD13 ILE 45 HD13 ILE 45 -2.081 5.494 -0.062 825 H LYS 46 H LYS 46 -5.127 9.396 -2.932 826 HA LYS 46 HA LYS 46 -4.110 11.936 -2.595 827 HB2 LYS 46 HB2 LYS 46 -6.625 11.433 -4.222 828 HB3 LYS 46 HB3 LYS 46 -5.346 12.603 -4.517 829 HG2 LYS 46 HG2 LYS 46 -5.362 9.633 -5.067 830 HG3 LYS 46 HG3 LYS 46 -5.073 10.967 -6.182 831 HD2 LYS 46 HD2 LYS 46 -3.169 9.954 -4.021 832 HD3 LYS 46 HD3 LYS 46 -3.004 9.719 -5.758 833 HE2 LYS 46 HE2 LYS 46 -2.791 12.337 -4.262 834 HE3 LYS 46 HE3 LYS 46 -1.498 11.436 -5.005 835 HZ1 LYS 46 HZ1 LYS 46 -2.513 11.807 -7.153 836 HZ2 LYS 46 HZ2 LYS 46 -2.189 13.271 -6.376 837 HZ3 LYS 46 HZ3 LYS 46 -3.769 12.677 -6.432 838 H ARG 47 H ARG 47 -6.907 10.600 -1.200 839 HA ARG 47 HA ARG 47 -8.555 12.880 -0.920 840 HB2 ARG 47 HB2 ARG 47 -8.467 10.291 0.674 841 HB3 ARG 47 HB3 ARG 47 -9.706 11.521 0.893 842 HG2 ARG 47 HG2 ARG 47 -9.193 9.948 -1.644 843 HG3 ARG 47 HG3 ARG 47 -10.530 9.708 -0.513 844 HD2 ARG 47 HD2 ARG 47 -10.015 12.164 -2.231 845 HD3 ARG 47 HD3 ARG 47 -11.316 10.988 -2.431 846 HE ARG 47 HE ARG 47 -11.843 11.829 0.027 847 HH11 ARG 47 HH11 ARG 47 -11.027 13.782 -2.787 848 HH12 ARG 47 HH12 ARG 47 -11.909 15.160 -2.208 849 HH21 ARG 47 HH21 ARG 47 -12.958 13.645 0.755 850 HH22 ARG 47 HH22 ARG 47 -12.998 15.082 -0.217 851 H ASN 48 H ASN 48 -6.303 11.379 1.403 852 HA ASN 48 HA ASN 48 -5.699 13.667 2.944 853 HB2 ASN 48 HB2 ASN 48 -8.130 13.671 3.469 854 HB3 ASN 48 HB3 ASN 48 -8.005 12.042 4.096 855 HD21 ASN 48 HD21 ASN 48 -5.762 14.723 4.735 856 HD22 ASN 48 HD22 ASN 48 -6.107 14.830 6.420 857 H SER 49 H SER 49 -4.679 10.946 2.018 858 HA SER 49 HA SER 49 -4.217 9.290 4.291 859 HB2 SER 49 HB2 SER 49 -4.135 8.493 1.965 860 HB3 SER 49 HB3 SER 49 -2.664 9.426 1.700 861 HG SER 49 HG SER 49 -2.838 6.990 2.576 862 H ALA 50 H ALA 50 -2.301 11.889 2.794 863 HA ALA 50 HA ALA 50 -0.031 11.750 4.426 864 HB1 ALA 50 HB1 ALA 50 0.377 14.083 3.771 865 HB2 ALA 50 HB2 ALA 50 -1.277 14.208 3.163 866 HB3 ALA 50 HB3 ALA 50 -0.135 13.108 2.392 867 H GLY 51 H GLY 51 -3.235 12.978 5.119 868 HA2 GLY 51 HA2 GLY 51 -2.451 13.918 7.804 869 HA3 GLY 51 HA3 GLY 51 -3.994 14.186 7.016 870 H ALA 52 H ALA 52 -3.435 10.993 6.483 871 HA ALA 52 HA ALA 52 -5.305 10.001 8.368 872 HB1 ALA 52 HB1 ALA 52 -4.734 7.772 7.492 873 HB2 ALA 52 HB2 ALA 52 -3.291 8.433 6.707 874 HB3 ALA 52 HB3 ALA 52 -4.898 8.933 6.170 875 H ASP 53 H ASP 53 -4.751 8.028 9.845 876 HA ASP 53 HA ASP 53 -2.488 8.778 11.584 877 HB2 ASP 53 HB2 ASP 53 -4.846 8.590 12.525 878 HB3 ASP 53 HB3 ASP 53 -4.778 6.855 12.201 879 H THR 54 H THR 54 -1.143 7.072 12.498 880 HA THR 54 HA THR 54 -0.834 4.674 10.779 881 HB THR 54 HB THR 54 1.308 6.075 12.444 882 HG1 THR 54 HG1 THR 54 0.541 6.313 9.716 883 HG21 THR 54 HG21 THR 54 1.521 3.891 10.330 884 HG22 THR 54 HG22 THR 54 1.865 3.710 12.053 885 HG23 THR 54 HG23 THR 54 2.897 4.734 11.041 886 H VAL 55 H VAL 55 -1.982 3.145 11.824 887 HA VAL 55 HA VAL 55 -1.884 2.803 14.753 888 HB VAL 55 HB VAL 55 -3.746 1.433 12.745 889 HG11 VAL 55 HG11 VAL 55 -5.191 0.995 14.718 890 HG12 VAL 55 HG12 VAL 55 -3.978 1.736 15.764 891 HG13 VAL 55 HG13 VAL 55 -3.598 0.253 14.891 892 HG21 VAL 55 HG21 VAL 55 -4.108 3.854 12.582 893 HG22 VAL 55 HG22 VAL 55 -4.304 3.967 14.333 894 HG23 VAL 55 HG23 VAL 55 -5.487 3.080 13.368 895 H ASP 56 H ASP 56 -0.799 1.071 15.604 896 HA ASP 56 HA ASP 56 0.142 -1.138 13.842 897 HB2 ASP 56 HB2 ASP 56 1.934 0.194 14.965 898 HB3 ASP 56 HB3 ASP 56 1.281 -0.254 16.533 899 H LEU 57 H LEU 57 -1.220 -2.772 13.968 900 HA LEU 57 HA LEU 57 -2.776 -3.464 16.312 901 HB2 LEU 57 HB2 LEU 57 -2.716 -4.684 13.526 902 HB3 LEU 57 HB3 LEU 57 -3.815 -5.178 14.802 903 HG LEU 57 HG LEU 57 -5.042 -3.766 13.303 904 HD11 LEU 57 HD11 LEU 57 -5.574 -3.444 15.667 905 HD12 LEU 57 HD12 LEU 57 -5.803 -1.956 14.750 906 HD13 LEU 57 HD13 LEU 57 -4.381 -2.145 15.780 907 HD21 LEU 57 HD21 LEU 57 -2.913 -1.636 13.648 908 HD22 LEU 57 HD22 LEU 57 -4.414 -1.478 12.730 909 HD23 LEU 57 HD23 LEU 57 -3.181 -2.622 12.208 910 H THR 58 H THR 58 0.256 -4.467 15.056 911 HA THR 58 HA THR 58 -0.008 -7.268 15.792 912 HB THR 58 HB THR 58 1.221 -6.849 13.779 913 HG1 THR 58 HG1 THR 58 2.012 -8.579 14.939 914 HG21 THR 58 HG21 THR 58 2.056 -4.570 14.205 915 HG22 THR 58 HG22 THR 58 3.346 -5.648 13.667 916 HG23 THR 58 HG23 THR 58 3.215 -5.212 15.373 917 H THR 59 H THR 59 0.082 -4.837 17.805 918 HA THR 59 HA THR 59 2.055 -5.652 19.734 919 HB THR 59 HB THR 59 0.774 -4.223 21.307 920 HG1 THR 59 HG1 THR 59 -1.297 -4.041 20.978 921 HG21 THR 59 HG21 THR 59 0.927 -2.051 20.148 922 HG22 THR 59 HG22 THR 59 1.009 -2.873 18.589 923 HG23 THR 59 HG23 THR 59 2.323 -3.056 19.753 924 H MET 60 H MET 60 -1.311 -6.374 18.949 925 HA MET 60 HA MET 60 -1.560 -8.400 21.062 926 HB2 MET 60 HB2 MET 60 -3.446 -6.839 20.790 927 HB3 MET 60 HB3 MET 60 -3.592 -7.264 19.087 928 HG2 MET 60 HG2 MET 60 -5.335 -8.336 20.415 929 HG3 MET 60 HG3 MET 60 -4.264 -9.546 19.704 930 HE1 MET 60 HE1 MET 60 -6.228 -10.399 22.014 931 HE2 MET 60 HE2 MET 60 -5.147 -11.302 23.074 932 HE3 MET 60 HE3 MET 60 -5.013 -11.485 21.328 933 H THR 61 H THR 61 -0.236 -10.033 20.322 934 HA THR 61 HA THR 61 -1.218 -11.625 18.038 935 HB THR 61 HB THR 61 1.225 -12.322 17.635 936 HG1 THR 61 HG1 THR 61 2.112 -11.461 19.540 937 HG21 THR 61 HG21 THR 61 0.057 -10.818 16.045 938 HG22 THR 61 HG22 THR 61 1.768 -10.411 16.183 939 HG23 THR 61 HG23 THR 61 0.556 -9.421 16.999 940 H ALA 62 H ALA 62 -1.846 -13.535 18.791 941 HA ALA 62 HA ALA 62 -0.392 -14.944 20.921 942 HB1 ALA 62 HB1 ALA 62 -2.489 -15.387 22.168 943 HB2 ALA 62 HB2 ALA 62 -3.382 -14.353 21.048 944 HB3 ALA 62 HB3 ALA 62 -2.146 -13.660 22.098 Start of MODEL 16 1 H MET 1 H MET 1 -12.088 8.038 11.280 2 HA MET 1 HA MET 1 -12.475 8.445 8.386 3 HB2 MET 1 HB2 MET 1 -11.507 10.440 9.584 4 HB3 MET 1 HB3 MET 1 -10.182 9.432 10.144 5 HG2 MET 1 HG2 MET 1 -9.545 9.042 7.750 6 HG3 MET 1 HG3 MET 1 -10.801 10.185 7.273 7 HE1 MET 1 HE1 MET 1 -10.725 12.801 7.829 8 HE2 MET 1 HE2 MET 1 -9.485 13.534 8.844 9 HE3 MET 1 HE3 MET 1 -10.643 12.406 9.550 10 H TYR 2 H TYR 2 -10.973 7.363 7.047 11 HA TYR 2 HA TYR 2 -10.041 4.824 7.876 12 HB2 TYR 2 HB2 TYR 2 -8.839 4.924 5.561 13 HB3 TYR 2 HB3 TYR 2 -10.590 4.884 5.630 14 HD1 TYR 2 HD1 TYR 2 -7.798 7.430 5.468 15 HD2 TYR 2 HD2 TYR 2 -11.759 6.384 4.269 16 HE1 TYR 2 HE1 TYR 2 -7.893 9.416 4.022 17 HE2 TYR 2 HE2 TYR 2 -11.853 8.360 2.826 18 HH TYR 2 HH TYR 2 -10.779 10.553 2.657 19 H LYS 3 H LYS 3 -7.705 4.127 7.304 20 HA LYS 3 HA LYS 3 -5.597 5.756 8.304 21 HB2 LYS 3 HB2 LYS 3 -5.365 4.311 10.505 22 HB3 LYS 3 HB3 LYS 3 -6.462 5.679 10.490 23 HG2 LYS 3 HG2 LYS 3 -7.587 3.908 11.620 24 HG3 LYS 3 HG3 LYS 3 -8.357 4.072 10.043 25 HD2 LYS 3 HD2 LYS 3 -6.970 2.105 9.247 26 HD3 LYS 3 HD3 LYS 3 -6.385 1.918 10.905 27 HE2 LYS 3 HE2 LYS 3 -9.251 1.647 9.934 28 HE3 LYS 3 HE3 LYS 3 -8.207 0.358 10.535 29 HZ1 LYS 3 HZ1 LYS 3 -8.214 1.442 12.710 30 HZ2 LYS 3 HZ2 LYS 3 -9.779 1.058 12.212 31 HZ3 LYS 3 HZ3 LYS 3 -9.238 2.654 12.124 32 H PHE 4 H PHE 4 -3.771 4.180 9.158 33 HA PHE 4 HA PHE 4 -3.384 2.090 7.125 34 HB2 PHE 4 HB2 PHE 4 -1.394 3.576 8.907 35 HB3 PHE 4 HB3 PHE 4 -0.950 2.279 7.799 36 HD1 PHE 4 HD1 PHE 4 -2.051 5.800 8.039 37 HD2 PHE 4 HD2 PHE 4 -0.930 2.638 5.380 38 HE1 PHE 4 HE1 PHE 4 -1.800 7.421 6.212 39 HE2 PHE 4 HE2 PHE 4 -0.676 4.267 3.567 40 HZ PHE 4 HZ PHE 4 -1.112 6.650 3.979 41 H GLU 5 H GLU 5 -3.514 0.024 7.758 42 HA GLU 5 HA GLU 5 -3.480 -0.643 10.636 43 HB2 GLU 5 HB2 GLU 5 -4.672 -2.071 8.234 44 HB3 GLU 5 HB3 GLU 5 -4.435 -2.899 9.773 45 HG2 GLU 5 HG2 GLU 5 -5.822 -0.953 10.804 46 HG3 GLU 5 HG3 GLU 5 -6.293 -0.593 9.139 47 H ILE 6 H ILE 6 -1.481 -1.206 11.348 48 HA ILE 6 HA ILE 6 0.474 -2.425 9.509 49 HB ILE 6 HB ILE 6 0.970 -1.389 12.342 50 HG12 ILE 6 HG12 ILE 6 1.574 0.149 9.785 51 HG13 ILE 6 HG13 ILE 6 0.118 0.412 10.736 52 HG21 ILE 6 HG21 ILE 6 3.355 -1.384 11.665 53 HG22 ILE 6 HG22 ILE 6 2.914 -1.964 10.055 54 HG23 ILE 6 HG23 ILE 6 2.652 -2.998 11.466 55 HD11 ILE 6 HD11 ILE 6 1.802 2.054 11.245 56 HD12 ILE 6 HD12 ILE 6 2.948 0.795 11.687 57 HD13 ILE 6 HD13 ILE 6 1.492 1.047 12.655 58 H TYR 7 H TYR 7 0.842 -4.542 9.736 59 HA TYR 7 HA TYR 7 0.790 -5.828 12.330 60 HB2 TYR 7 HB2 TYR 7 -0.843 -7.569 11.723 61 HB3 TYR 7 HB3 TYR 7 -1.591 -5.975 11.708 62 HD1 TYR 7 HD1 TYR 7 -1.762 -4.810 9.354 63 HD2 TYR 7 HD2 TYR 7 -1.173 -9.008 9.869 64 HE1 TYR 7 HE1 TYR 7 -2.620 -5.220 7.103 65 HE2 TYR 7 HE2 TYR 7 -2.040 -9.408 7.614 66 HH TYR 7 HH TYR 7 -3.543 -8.236 5.980 67 H GLN 8 H GLN 8 1.082 -8.331 11.805 68 HA GLN 8 HA GLN 8 2.749 -8.706 9.394 69 HB2 GLN 8 HB2 GLN 8 4.255 -10.237 10.480 70 HB3 GLN 8 HB3 GLN 8 4.245 -8.758 11.434 71 HG2 GLN 8 HG2 GLN 8 2.769 -9.828 13.083 72 HG3 GLN 8 HG3 GLN 8 2.731 -11.289 12.111 73 HE21 GLN 8 HE21 GLN 8 5.798 -9.720 12.230 74 HE22 GLN 8 HE22 GLN 8 6.525 -10.766 13.372 75 H ASP 9 H ASP 9 2.755 -10.996 8.719 76 HA ASP 9 HA ASP 9 0.216 -12.380 9.399 77 HB2 ASP 9 HB2 ASP 9 0.468 -11.440 7.018 78 HB3 ASP 9 HB3 ASP 9 1.753 -12.606 6.769 79 H LYS 10 H LYS 10 0.545 -14.827 8.702 80 HA LYS 10 HA LYS 10 1.705 -16.161 10.680 81 HB2 LYS 10 HB2 LYS 10 0.090 -16.993 8.949 82 HB3 LYS 10 HB3 LYS 10 1.426 -17.213 7.836 83 HG2 LYS 10 HG2 LYS 10 1.410 -18.640 10.501 84 HG3 LYS 10 HG3 LYS 10 0.443 -19.255 9.162 85 HD2 LYS 10 HD2 LYS 10 2.485 -19.497 7.781 86 HD3 LYS 10 HD3 LYS 10 3.462 -18.839 9.097 87 HE2 LYS 10 HE2 LYS 10 1.878 -21.423 9.161 88 HE3 LYS 10 HE3 LYS 10 3.632 -21.274 9.045 89 HZ1 LYS 10 HZ1 LYS 10 2.981 -21.765 11.283 90 HZ2 LYS 10 HZ2 LYS 10 1.942 -20.440 11.333 91 HZ3 LYS 10 HZ3 LYS 10 3.612 -20.201 11.231 92 H ALA 11 H ALA 11 3.433 -15.310 7.711 93 HA ALA 11 HA ALA 11 5.805 -16.866 8.291 94 HB1 ALA 11 HB1 ALA 11 5.365 -14.688 6.222 95 HB2 ALA 11 HB2 ALA 11 5.097 -16.414 5.976 96 HB3 ALA 11 HB3 ALA 11 6.731 -15.810 6.267 97 H GLY 12 H GLY 12 4.793 -14.367 10.021 98 HA2 GLY 12 HA2 GLY 12 5.649 -12.765 11.360 99 HA3 GLY 12 HA3 GLY 12 7.235 -13.446 11.058 100 H GLU 13 H GLU 13 5.114 -12.286 8.501 101 HA GLU 13 HA GLU 13 7.293 -10.413 7.723 102 HB2 GLU 13 HB2 GLU 13 6.690 -12.140 6.046 103 HB3 GLU 13 HB3 GLU 13 5.028 -11.563 6.033 104 HG2 GLU 13 HG2 GLU 13 6.232 -10.738 4.079 105 HG3 GLU 13 HG3 GLU 13 5.754 -9.401 5.120 106 H TYR 14 H TYR 14 6.908 -8.241 7.646 107 HA TYR 14 HA TYR 14 4.461 -7.377 9.013 108 HB2 TYR 14 HB2 TYR 14 7.127 -5.965 8.548 109 HB3 TYR 14 HB3 TYR 14 5.705 -5.135 9.180 110 HD1 TYR 14 HD1 TYR 14 8.307 -7.659 9.938 111 HD2 TYR 14 HD2 TYR 14 4.896 -5.573 11.473 112 HE1 TYR 14 HE1 TYR 14 8.882 -8.376 12.213 113 HE2 TYR 14 HE2 TYR 14 5.481 -6.304 13.743 114 HH TYR 14 HH TYR 14 8.478 -7.599 14.529 115 H ARG 15 H ARG 15 2.974 -6.374 7.996 116 HA ARG 15 HA ARG 15 3.359 -4.913 5.524 117 HB2 ARG 15 HB2 ARG 15 1.464 -5.896 4.341 118 HB3 ARG 15 HB3 ARG 15 2.702 -7.101 4.626 119 HG2 ARG 15 HG2 ARG 15 0.259 -6.889 6.394 120 HG3 ARG 15 HG3 ARG 15 0.233 -7.788 4.878 121 HD2 ARG 15 HD2 ARG 15 2.004 -8.330 7.278 122 HD3 ARG 15 HD3 ARG 15 0.643 -9.312 6.724 123 HE ARG 15 HE ARG 15 3.332 -9.197 5.598 124 HH11 ARG 15 HH11 ARG 15 0.028 -10.261 5.008 125 HH12 ARG 15 HH12 ARG 15 0.495 -11.487 3.872 126 HH21 ARG 15 HH21 ARG 15 3.925 -10.821 4.102 127 HH22 ARG 15 HH22 ARG 15 2.699 -11.812 3.374 128 H PHE 16 H PHE 16 2.173 -3.111 5.486 129 HA PHE 16 HA PHE 16 -0.066 -2.856 7.391 130 HB2 PHE 16 HB2 PHE 16 0.164 -0.359 7.003 131 HB3 PHE 16 HB3 PHE 16 1.476 -1.124 7.878 132 HD1 PHE 16 HD1 PHE 16 0.526 0.415 4.622 133 HD2 PHE 16 HD2 PHE 16 3.730 -1.093 7.024 134 HE1 PHE 16 HE1 PHE 16 2.167 1.465 3.116 135 HE2 PHE 16 HE2 PHE 16 5.355 -0.032 5.515 136 HZ PHE 16 HZ PHE 16 4.576 1.246 3.561 137 H ARG 17 H ARG 17 -1.908 -1.699 6.685 138 HA ARG 17 HA ARG 17 -2.624 -1.964 3.820 139 HB2 ARG 17 HB2 ARG 17 -4.500 -1.840 6.248 140 HB3 ARG 17 HB3 ARG 17 -4.976 -2.145 4.579 141 HG2 ARG 17 HG2 ARG 17 -4.066 -4.339 4.611 142 HG3 ARG 17 HG3 ARG 17 -3.131 -4.019 6.071 143 HD2 ARG 17 HD2 ARG 17 -4.896 -5.369 6.829 144 HD3 ARG 17 HD3 ARG 17 -5.411 -3.740 7.260 145 HE ARG 17 HE ARG 17 -6.465 -4.537 4.725 146 HH11 ARG 17 HH11 ARG 17 -6.975 -4.873 8.193 147 HH12 ARG 17 HH12 ARG 17 -8.612 -5.414 8.017 148 HH21 ARG 17 HH21 ARG 17 -8.613 -5.270 4.525 149 HH22 ARG 17 HH22 ARG 17 -9.545 -5.627 5.948 150 H PHE 18 H PHE 18 -3.915 -0.162 2.980 151 HA PHE 18 HA PHE 18 -4.481 2.012 4.910 152 HB2 PHE 18 HB2 PHE 18 -2.938 2.845 3.132 153 HB3 PHE 18 HB3 PHE 18 -4.091 2.333 1.906 154 HD1 PHE 18 HD1 PHE 18 -4.685 4.133 5.154 155 HD2 PHE 18 HD2 PHE 18 -4.786 4.341 0.884 156 HE1 PHE 18 HE1 PHE 18 -5.729 6.346 5.279 157 HE2 PHE 18 HE2 PHE 18 -5.805 6.567 1.016 158 HZ PHE 18 HZ PHE 18 -6.311 7.560 3.214 159 H LYS 19 H LYS 19 -6.530 2.381 5.178 160 HA LYS 19 HA LYS 19 -8.452 0.530 3.918 161 HB2 LYS 19 HB2 LYS 19 -8.552 2.082 6.556 162 HB3 LYS 19 HB3 LYS 19 -9.798 0.970 5.980 163 HG2 LYS 19 HG2 LYS 19 -6.920 0.214 6.626 164 HG3 LYS 19 HG3 LYS 19 -8.329 -0.103 7.649 165 HD2 LYS 19 HD2 LYS 19 -7.969 -1.191 4.817 166 HD3 LYS 19 HD3 LYS 19 -7.611 -2.104 6.279 167 HE2 LYS 19 HE2 LYS 19 -10.354 -0.958 5.643 168 HE3 LYS 19 HE3 LYS 19 -9.861 -2.596 5.250 169 HZ1 LYS 19 HZ1 LYS 19 -9.431 -2.934 7.645 170 HZ2 LYS 19 HZ2 LYS 19 -11.049 -2.616 7.295 171 HZ3 LYS 19 HZ3 LYS 19 -10.074 -1.402 7.948 172 H ALA 20 H ALA 20 -10.768 1.509 4.210 173 HA ALA 20 HA ALA 20 -10.953 4.268 3.175 174 HB1 ALA 20 HB1 ALA 20 -12.699 3.522 1.597 175 HB2 ALA 20 HB2 ALA 20 -12.471 1.849 2.116 176 HB3 ALA 20 HB3 ALA 20 -11.171 2.700 1.282 177 H SER 21 H SER 21 -12.982 5.276 3.663 178 HA SER 21 HA SER 21 -13.947 5.224 6.161 179 HB2 SER 21 HB2 SER 21 -16.010 6.383 5.200 180 HB3 SER 21 HB3 SER 21 -14.454 7.036 4.682 181 HG SER 21 HG SER 21 -16.424 5.851 3.206 182 H ASN 22 H ASN 22 -15.272 3.151 3.565 183 HA ASN 22 HA ASN 22 -17.457 2.160 5.261 184 HB2 ASN 22 HB2 ASN 22 -17.873 2.716 2.894 185 HB3 ASN 22 HB3 ASN 22 -16.680 1.532 2.381 186 HD21 ASN 22 HD21 ASN 22 -17.239 -0.644 2.369 187 HD22 ASN 22 HD22 ASN 22 -18.867 -1.188 2.548 188 H GLY 23 H GLY 23 -14.272 1.445 5.135 189 HA2 GLY 23 HA2 GLY 23 -13.146 -0.223 6.275 190 HA3 GLY 23 HA3 GLY 23 -14.587 -1.213 6.269 191 H GLU 24 H GLU 24 -13.535 0.135 3.276 192 HA GLU 24 HA GLU 24 -12.736 -2.455 2.188 193 HB2 GLU 24 HB2 GLU 24 -12.536 0.293 0.883 194 HB3 GLU 24 HB3 GLU 24 -12.436 -1.266 0.067 195 HG2 GLU 24 HG2 GLU 24 -14.796 -1.704 0.567 196 HG3 GLU 24 HG3 GLU 24 -14.898 -0.186 1.468 197 H THR 25 H THR 25 -10.605 -2.937 1.415 198 HA THR 25 HA THR 25 -8.423 -1.088 2.220 199 HB THR 25 HB THR 25 -8.196 -4.058 1.558 200 HG1 THR 25 HG1 THR 25 -9.369 -3.693 3.465 201 HG21 THR 25 HG21 THR 25 -6.076 -2.820 1.207 202 HG22 THR 25 HG22 THR 25 -5.966 -3.905 2.595 203 HG23 THR 25 HG23 THR 25 -6.195 -2.174 2.844 204 H MET 26 H MET 26 -7.065 -0.384 0.681 205 HA MET 26 HA MET 26 -7.778 -0.927 -2.157 206 HB2 MET 26 HB2 MET 26 -7.016 1.505 -2.522 207 HB3 MET 26 HB3 MET 26 -8.562 1.244 -1.735 208 HG2 MET 26 HG2 MET 26 -7.377 3.044 -0.658 209 HG3 MET 26 HG3 MET 26 -7.528 1.690 0.458 210 HE1 MET 26 HE1 MET 26 -5.154 3.590 -1.995 211 HE2 MET 26 HE2 MET 26 -5.001 1.919 -2.544 212 HE3 MET 26 HE3 MET 26 -3.639 2.724 -1.765 213 H PHE 27 H PHE 27 -5.073 -0.281 0.079 214 HA PHE 27 HA PHE 27 -3.566 -2.131 -1.600 215 HB2 PHE 27 HB2 PHE 27 -1.639 -0.870 -1.954 216 HB3 PHE 27 HB3 PHE 27 -2.828 0.412 -2.028 217 HD1 PHE 27 HD1 PHE 27 -0.133 -1.122 0.049 218 HD2 PHE 27 HD2 PHE 27 -2.816 2.155 -0.379 219 HE1 PHE 27 HE1 PHE 27 1.051 0.129 1.821 220 HE2 PHE 27 HE2 PHE 27 -1.656 3.410 1.306 221 HZ PHE 27 HZ PHE 27 0.314 2.415 2.447 222 H SER 28 H SER 28 -1.842 -3.058 -0.548 223 HA SER 28 HA SER 28 -1.210 -2.847 2.206 224 HB2 SER 28 HB2 SER 28 -2.120 -5.085 2.957 225 HB3 SER 28 HB3 SER 28 -3.383 -3.909 2.591 226 HG SER 28 HG SER 28 -3.314 -4.964 0.405 227 H SER 29 H SER 29 0.189 -4.858 2.885 228 HA SER 29 HA SER 29 1.382 -6.736 2.573 229 HB2 SER 29 HB2 SER 29 -0.660 -7.571 1.394 230 HB3 SER 29 HB3 SER 29 -0.020 -6.957 -0.131 231 HG SER 29 HG SER 29 1.573 -8.470 -0.069 232 H GLU 30 H GLU 30 2.570 -4.277 2.001 233 HA GLU 30 HA GLU 30 4.177 -4.457 -0.354 234 HB2 GLU 30 HB2 GLU 30 5.209 -2.453 0.312 235 HB3 GLU 30 HB3 GLU 30 3.565 -2.317 0.905 236 HG2 GLU 30 HG2 GLU 30 6.055 -2.883 2.522 237 HG3 GLU 30 HG3 GLU 30 5.107 -1.397 2.519 238 H GLY 31 H GLY 31 4.615 -5.476 3.042 239 HA2 GLY 31 HA2 GLY 31 5.986 -7.049 3.933 240 HA3 GLY 31 HA3 GLY 31 6.402 -7.549 2.297 241 H TYR 32 H TYR 32 6.977 -4.699 4.453 242 HA TYR 32 HA TYR 32 9.052 -3.806 2.662 243 HB2 TYR 32 HB2 TYR 32 7.471 -2.236 3.833 244 HB3 TYR 32 HB3 TYR 32 8.262 -2.617 5.360 245 HD1 TYR 32 HD1 TYR 32 9.541 -1.794 1.894 246 HD2 TYR 32 HD2 TYR 32 9.567 -0.762 6.044 247 HE1 TYR 32 HE1 TYR 32 11.152 0.003 1.442 248 HE2 TYR 32 HE2 TYR 32 11.174 1.036 5.582 249 HH TYR 32 HH TYR 32 11.917 2.088 2.422 250 H LYS 33 H LYS 33 9.166 -4.389 6.231 251 HA LYS 33 HA LYS 33 11.343 -6.209 6.046 252 HB2 LYS 33 HB2 LYS 33 12.425 -3.848 5.631 253 HB3 LYS 33 HB3 LYS 33 12.166 -3.574 7.346 254 HG2 LYS 33 HG2 LYS 33 14.447 -4.304 6.969 255 HG3 LYS 33 HG3 LYS 33 13.582 -5.570 7.853 256 HD2 LYS 33 HD2 LYS 33 13.272 -6.829 5.739 257 HD3 LYS 33 HD3 LYS 33 14.098 -5.552 4.846 258 HE2 LYS 33 HE2 LYS 33 15.395 -7.196 7.044 259 HE3 LYS 33 HE3 LYS 33 15.512 -7.571 5.327 260 HZ1 LYS 33 HZ1 LYS 33 16.483 -5.088 6.632 261 HZ2 LYS 33 HZ2 LYS 33 16.565 -5.418 4.979 262 HZ3 LYS 33 HZ3 LYS 33 17.443 -6.362 6.072 263 H ALA 34 H ALA 34 10.406 -3.672 8.399 264 HA ALA 34 HA ALA 34 9.670 -5.707 10.415 265 HB1 ALA 34 HB1 ALA 34 11.738 -3.520 10.859 266 HB2 ALA 34 HB2 ALA 34 12.079 -5.247 10.731 267 HB3 ALA 34 HB3 ALA 34 11.130 -4.634 12.084 268 H LYS 35 H LYS 35 8.917 -4.263 12.578 269 HA LYS 35 HA LYS 35 6.673 -2.794 11.737 270 HB2 LYS 35 HB2 LYS 35 6.810 -4.067 13.885 271 HB3 LYS 35 HB3 LYS 35 8.006 -2.915 14.479 272 HG2 LYS 35 HG2 LYS 35 6.130 -1.113 13.999 273 HG3 LYS 35 HG3 LYS 35 5.044 -2.503 14.016 274 HD2 LYS 35 HD2 LYS 35 6.914 -1.743 16.292 275 HD3 LYS 35 HD3 LYS 35 5.211 -1.291 16.214 276 HE2 LYS 35 HE2 LYS 35 6.155 -4.173 16.174 277 HE3 LYS 35 HE3 LYS 35 5.763 -3.304 17.659 278 HZ1 LYS 35 HZ1 LYS 35 3.937 -4.672 16.728 279 HZ2 LYS 35 HZ2 LYS 35 3.867 -3.609 15.408 280 HZ3 LYS 35 HZ3 LYS 35 3.538 -3.046 16.964 281 H ALA 36 H ALA 36 9.732 -1.744 13.303 282 HA ALA 36 HA ALA 36 9.250 1.008 13.361 283 HB1 ALA 36 HB1 ALA 36 11.942 -0.376 13.086 284 HB2 ALA 36 HB2 ALA 36 11.097 -0.038 14.597 285 HB3 ALA 36 HB3 ALA 36 11.686 1.294 13.601 286 H SER 37 H SER 37 10.664 -1.005 10.810 287 HA SER 37 HA SER 37 11.305 1.032 8.965 288 HB2 SER 37 HB2 SER 37 10.582 -1.878 8.406 289 HB3 SER 37 HB3 SER 37 11.532 -0.807 7.368 290 HG SER 37 HG SER 37 13.226 -1.198 8.552 291 H ALA 38 H ALA 38 8.355 -0.792 9.657 292 HA ALA 38 HA ALA 38 6.880 -0.191 7.314 293 HB1 ALA 38 HB1 ALA 38 4.922 -1.003 8.570 294 HB2 ALA 38 HB2 ALA 38 5.853 -0.962 10.073 295 HB3 ALA 38 HB3 ALA 38 6.301 -2.083 8.782 296 H ILE 39 H ILE 39 6.771 1.281 10.627 297 HA ILE 39 HA ILE 39 5.083 3.394 10.120 298 HB ILE 39 HB ILE 39 7.373 3.052 12.079 299 HG12 ILE 39 HG12 ILE 39 5.418 3.380 13.752 300 HG13 ILE 39 HG13 ILE 39 4.340 3.282 12.368 301 HG21 ILE 39 HG21 ILE 39 6.810 5.198 13.200 302 HG22 ILE 39 HG22 ILE 39 5.762 5.614 11.841 303 HG23 ILE 39 HG23 ILE 39 7.500 5.430 11.593 304 HD11 ILE 39 HD11 ILE 39 4.458 1.193 13.556 305 HD12 ILE 39 HD12 ILE 39 6.206 1.132 13.345 306 HD13 ILE 39 HD13 ILE 39 5.143 1.007 11.942 307 H HIS 40 H HIS 40 8.653 3.342 9.637 308 HA HIS 40 HA HIS 40 8.949 6.019 8.818 309 HB2 HIS 40 HB2 HIS 40 10.636 3.568 8.170 310 HB3 HIS 40 HB3 HIS 40 11.098 5.193 7.666 311 HD1 HIS 40 HD1 HIS 40 10.731 6.868 10.088 312 HD2 HIS 40 HD2 HIS 40 12.155 2.986 10.351 313 HE1 HIS 40 HE1 HIS 40 11.974 6.760 12.253 314 HE2 HIS 40 HE2 HIS 40 12.632 4.345 12.484 315 H ALA 41 H ALA 41 8.253 3.083 6.898 316 HA ALA 41 HA ALA 41 8.114 4.217 4.375 317 HB1 ALA 41 HB1 ALA 41 6.652 2.318 3.798 318 HB2 ALA 41 HB2 ALA 41 6.437 1.954 5.516 319 HB3 ALA 41 HB3 ALA 41 8.029 1.795 4.774 320 H ILE 42 H ILE 42 5.416 3.703 6.687 321 HA ILE 42 HA ILE 42 3.427 5.069 5.284 322 HB ILE 42 HB ILE 42 3.709 4.734 8.297 323 HG12 ILE 42 HG12 ILE 42 2.058 3.041 6.365 324 HG13 ILE 42 HG13 ILE 42 3.709 2.624 6.811 325 HG21 ILE 42 HG21 ILE 42 2.048 6.482 7.778 326 HG22 ILE 42 HG22 ILE 42 1.242 5.044 8.402 327 HG23 ILE 42 HG23 ILE 42 1.211 5.391 6.671 328 HD11 ILE 42 HD11 ILE 42 3.064 2.404 9.112 329 HD12 ILE 42 HD12 ILE 42 2.064 1.388 8.075 330 HD13 ILE 42 HD13 ILE 42 1.410 2.891 8.725 331 H GLU 43 H GLU 43 6.063 6.333 7.187 332 HA GLU 43 HA GLU 43 4.980 8.896 7.739 333 HB2 GLU 43 HB2 GLU 43 7.814 7.844 7.730 334 HB3 GLU 43 HB3 GLU 43 7.495 9.560 7.977 335 HG2 GLU 43 HG2 GLU 43 6.055 8.982 9.933 336 HG3 GLU 43 HG3 GLU 43 6.477 7.284 9.714 337 H SER 44 H SER 44 6.811 7.538 5.004 338 HA SER 44 HA SER 44 7.188 9.780 3.400 339 HB2 SER 44 HB2 SER 44 6.394 6.936 2.698 340 HB3 SER 44 HB3 SER 44 6.698 8.126 1.437 341 HG SER 44 HG SER 44 8.491 7.189 3.446 342 H ILE 45 H ILE 45 4.215 7.948 3.985 343 HA ILE 45 HA ILE 45 2.748 9.112 1.853 344 HB ILE 45 HB ILE 45 1.252 8.019 4.284 345 HG12 ILE 45 HG12 ILE 45 3.169 6.383 3.710 346 HG13 ILE 45 HG13 ILE 45 1.542 5.720 3.626 347 HG21 ILE 45 HG21 ILE 45 0.005 8.961 2.402 348 HG22 ILE 45 HG22 ILE 45 -0.262 7.218 2.469 349 HG23 ILE 45 HG23 ILE 45 0.857 7.900 1.265 350 HD11 ILE 45 HD11 ILE 45 2.894 4.930 1.807 351 HD12 ILE 45 HD12 ILE 45 3.246 6.576 1.295 352 HD13 ILE 45 HD13 ILE 45 1.601 5.943 1.176 353 H LYS 46 H LYS 46 2.980 9.706 5.346 354 HA LYS 46 HA LYS 46 1.097 11.732 5.596 355 HB2 LYS 46 HB2 LYS 46 3.579 11.755 7.335 356 HB3 LYS 46 HB3 LYS 46 1.918 12.126 7.765 357 HG2 LYS 46 HG2 LYS 46 3.228 9.418 7.468 358 HG3 LYS 46 HG3 LYS 46 2.445 10.115 8.883 359 HD2 LYS 46 HD2 LYS 46 1.096 9.084 6.356 360 HD3 LYS 46 HD3 LYS 46 1.035 8.358 7.964 361 HE2 LYS 46 HE2 LYS 46 -0.101 11.072 7.243 362 HE3 LYS 46 HE3 LYS 46 -1.018 9.594 7.347 363 HZ1 LYS 46 HZ1 LYS 46 -0.358 9.442 9.686 364 HZ2 LYS 46 HZ2 LYS 46 -1.250 10.832 9.354 365 HZ3 LYS 46 HZ3 LYS 46 0.425 10.934 9.545 366 H ARG 47 H ARG 47 4.310 11.853 4.407 367 HA ARG 47 HA ARG 47 4.982 14.553 4.910 368 HB2 ARG 47 HB2 ARG 47 6.026 12.825 2.634 369 HB3 ARG 47 HB3 ARG 47 6.746 14.334 3.185 370 HG2 ARG 47 HG2 ARG 47 6.643 11.690 4.637 371 HG3 ARG 47 HG3 ARG 47 8.063 12.540 4.036 372 HD2 ARG 47 HD2 ARG 47 7.689 14.322 5.720 373 HD3 ARG 47 HD3 ARG 47 6.272 13.452 6.325 374 HE ARG 47 HE ARG 47 8.973 12.256 6.343 375 HH11 ARG 47 HH11 ARG 47 6.026 13.053 8.099 376 HH12 ARG 47 HH12 ARG 47 6.539 12.232 9.536 377 HH21 ARG 47 HH21 ARG 47 9.598 11.182 8.201 378 HH22 ARG 47 HH22 ARG 47 8.566 11.172 9.596 379 H ASN 48 H ASN 48 3.558 13.079 1.990 380 HA ASN 48 HA ASN 48 2.383 15.472 0.987 381 HB2 ASN 48 HB2 ASN 48 4.923 15.982 0.762 382 HB3 ASN 48 HB3 ASN 48 4.945 14.806 -0.542 383 HD21 ASN 48 HD21 ASN 48 3.863 17.966 0.462 384 HD22 ASN 48 HD22 ASN 48 3.447 18.555 -1.108 385 H SER 49 H SER 49 2.113 12.376 1.058 386 HA SER 49 HA SER 49 2.287 11.429 -1.635 387 HB2 SER 49 HB2 SER 49 2.420 9.977 0.371 388 HB3 SER 49 HB3 SER 49 0.697 10.220 0.637 389 HG SER 49 HG SER 49 2.018 8.688 -1.238 390 H ALA 50 H ALA 50 -0.453 12.623 0.314 391 HA ALA 50 HA ALA 50 -2.495 12.223 -1.556 392 HB1 ALA 50 HB1 ALA 50 -3.748 13.915 -0.294 393 HB2 ALA 50 HB2 ALA 50 -2.261 14.444 0.497 394 HB3 ALA 50 HB3 ALA 50 -2.892 12.825 0.801 395 H GLY 51 H GLY 51 -0.003 14.680 -1.401 396 HA2 GLY 51 HA2 GLY 51 -1.082 16.134 -3.732 397 HA3 GLY 51 HA3 GLY 51 0.245 16.643 -2.705 398 H ALA 52 H ALA 52 0.962 13.512 -3.232 399 HA ALA 52 HA ALA 52 3.049 13.958 -5.103 400 HB1 ALA 52 HB1 ALA 52 1.848 11.320 -4.158 401 HB2 ALA 52 HB2 ALA 52 3.174 12.198 -3.384 402 HB3 ALA 52 HB3 ALA 52 3.401 11.510 -4.993 403 H ASP 53 H ASP 53 3.318 12.666 -7.162 404 HA ASP 53 HA ASP 53 0.930 12.990 -8.833 405 HB2 ASP 53 HB2 ASP 53 3.122 13.974 -9.547 406 HB3 ASP 53 HB3 ASP 53 3.797 12.352 -9.649 407 H THR 54 H THR 54 0.255 11.329 -10.313 408 HA THR 54 HA THR 54 0.816 8.554 -9.425 409 HB THR 54 HB THR 54 -1.725 9.667 -10.694 410 HG1 THR 54 HG1 THR 54 -1.059 9.036 -7.992 411 HG21 THR 54 HG21 THR 54 -1.188 6.933 -9.452 412 HG22 THR 54 HG22 THR 54 -1.459 7.250 -11.166 413 HG23 THR 54 HG23 THR 54 -2.764 7.512 -10.002 414 H VAL 55 H VAL 55 2.332 7.858 -10.791 415 HA VAL 55 HA VAL 55 2.265 8.430 -13.697 416 HB VAL 55 HB VAL 55 4.534 7.498 -11.870 417 HG11 VAL 55 HG11 VAL 55 4.672 8.115 -14.842 418 HG12 VAL 55 HG12 VAL 55 4.869 6.529 -14.092 419 HG13 VAL 55 HG13 VAL 55 6.059 7.797 -13.795 420 HG21 VAL 55 HG21 VAL 55 3.932 9.852 -11.527 421 HG22 VAL 55 HG22 VAL 55 4.113 10.172 -13.256 422 HG23 VAL 55 HG23 VAL 55 5.519 9.718 -12.287 423 H ASP 56 H ASP 56 1.807 6.782 -15.070 424 HA ASP 56 HA ASP 56 1.996 3.975 -14.124 425 HB2 ASP 56 HB2 ASP 56 -0.255 4.458 -14.786 426 HB3 ASP 56 HB3 ASP 56 0.272 5.234 -16.276 427 H LEU 57 H LEU 57 3.608 2.863 -14.833 428 HA LEU 57 HA LEU 57 5.233 3.586 -17.123 429 HB2 LEU 57 HB2 LEU 57 5.603 1.440 -14.995 430 HB3 LEU 57 HB3 LEU 57 6.777 1.808 -16.245 431 HG LEU 57 HG LEU 57 7.543 2.785 -14.176 432 HD11 LEU 57 HD11 LEU 57 7.784 5.139 -14.743 433 HD12 LEU 57 HD12 LEU 57 6.489 5.010 -15.936 434 HD13 LEU 57 HD13 LEU 57 7.994 4.116 -16.165 435 HD21 LEU 57 HD21 LEU 57 4.916 4.273 -13.952 436 HD22 LEU 57 HD22 LEU 57 6.307 4.440 -12.876 437 HD23 LEU 57 HD23 LEU 57 5.432 2.913 -12.955 438 H THR 58 H THR 58 2.645 1.260 -16.575 439 HA THR 58 HA THR 58 3.941 -0.811 -18.240 440 HB THR 58 HB THR 58 2.822 -1.527 -16.133 441 HG1 THR 58 HG1 THR 58 2.941 -2.787 -18.288 442 HG21 THR 58 HG21 THR 58 0.369 -1.734 -16.035 443 HG22 THR 58 HG22 THR 58 0.227 -0.864 -17.564 444 HG23 THR 58 HG23 THR 58 0.854 -0.040 -16.134 445 H THR 59 H THR 59 1.806 1.812 -18.816 446 HA THR 59 HA THR 59 0.980 0.716 -21.376 447 HB THR 59 HB THR 59 -1.497 1.483 -20.919 448 HG1 THR 59 HG1 THR 59 -0.480 1.227 -18.291 449 HG21 THR 59 HG21 THR 59 -0.524 -1.128 -19.688 450 HG22 THR 59 HG22 THR 59 -0.944 -0.870 -21.382 451 HG23 THR 59 HG23 THR 59 -2.191 -0.756 -20.142 452 H MET 60 H MET 60 -0.643 3.438 -19.728 453 HA MET 60 HA MET 60 -1.024 5.554 -20.452 454 HB2 MET 60 HB2 MET 60 1.958 5.414 -20.028 455 HB3 MET 60 HB3 MET 60 1.257 6.922 -20.591 456 HG2 MET 60 HG2 MET 60 0.451 5.497 -18.062 457 HG3 MET 60 HG3 MET 60 1.572 6.855 -18.153 458 HE1 MET 60 HE1 MET 60 0.091 8.169 -16.332 459 HE2 MET 60 HE2 MET 60 -1.060 6.832 -16.261 460 HE3 MET 60 HE3 MET 60 -1.636 8.475 -16.531 461 H THR 61 H THR 61 1.986 5.215 -22.337 462 HA THR 61 HA THR 61 1.013 6.904 -24.383 463 HB THR 61 HB THR 61 3.216 6.380 -25.515 464 HG1 THR 61 HG1 THR 61 3.193 4.179 -24.298 465 HG21 THR 61 HG21 THR 61 3.428 7.084 -22.563 466 HG22 THR 61 HG22 THR 61 3.057 8.223 -23.858 467 HG23 THR 61 HG23 THR 61 4.635 7.438 -23.806 468 H ALA 62 H ALA 62 -0.184 6.416 -26.079 469 HA ALA 62 HA ALA 62 -0.927 3.768 -26.833 470 HB1 ALA 62 HB1 ALA 62 -2.478 5.650 -27.052 471 HB2 ALA 62 HB2 ALA 62 -2.216 4.882 -28.619 472 HB3 ALA 62 HB3 ALA 62 -1.421 6.413 -28.242 473 H MET 1 H MET 1 8.319 15.284 -7.160 474 HA MET 1 HA MET 1 10.914 15.297 -5.757 475 HB2 MET 1 HB2 MET 1 9.188 16.786 -4.699 476 HB3 MET 1 HB3 MET 1 8.078 15.420 -4.609 477 HG2 MET 1 HG2 MET 1 9.570 14.277 -3.054 478 HG3 MET 1 HG3 MET 1 10.761 15.567 -3.201 479 HE1 MET 1 HE1 MET 1 9.111 18.527 -1.303 480 HE2 MET 1 HE2 MET 1 9.179 18.251 -3.042 481 HE3 MET 1 HE3 MET 1 10.587 17.901 -2.038 482 H TYR 2 H TYR 2 7.744 13.660 -5.448 483 HA TYR 2 HA TYR 2 8.799 11.147 -6.404 484 HB2 TYR 2 HB2 TYR 2 7.943 9.895 -4.315 485 HB3 TYR 2 HB3 TYR 2 9.495 10.707 -4.225 486 HD1 TYR 2 HD1 TYR 2 5.885 11.671 -3.576 487 HD2 TYR 2 HD2 TYR 2 9.917 11.682 -2.170 488 HE1 TYR 2 HE1 TYR 2 5.168 12.794 -1.517 489 HE2 TYR 2 HE2 TYR 2 9.202 12.800 -0.129 490 HH TYR 2 HH TYR 2 5.943 13.030 0.776 491 H LYS 3 H LYS 3 6.973 9.380 -6.063 492 HA LYS 3 HA LYS 3 4.343 10.253 -6.652 493 HB2 LYS 3 HB2 LYS 3 4.460 9.655 -9.177 494 HB3 LYS 3 HB3 LYS 3 5.067 11.218 -8.676 495 HG2 LYS 3 HG2 LYS 3 6.561 10.397 -10.324 496 HG3 LYS 3 HG3 LYS 3 7.408 10.274 -8.782 497 HD2 LYS 3 HD2 LYS 3 6.997 7.853 -8.719 498 HD3 LYS 3 HD3 LYS 3 6.008 7.960 -10.180 499 HE2 LYS 3 HE2 LYS 3 8.206 7.118 -10.778 500 HE3 LYS 3 HE3 LYS 3 8.016 8.735 -11.445 501 HZ1 LYS 3 HZ1 LYS 3 9.332 9.593 -9.607 502 HZ2 LYS 3 HZ2 LYS 3 10.187 8.426 -10.478 503 HZ3 LYS 3 HZ3 LYS 3 9.512 8.035 -8.983 504 H PHE 4 H PHE 4 3.224 8.456 -8.071 505 HA PHE 4 HA PHE 4 3.780 5.863 -6.804 506 HB2 PHE 4 HB2 PHE 4 1.269 6.989 -8.136 507 HB3 PHE 4 HB3 PHE 4 1.410 5.323 -7.577 508 HD1 PHE 4 HD1 PHE 4 1.464 4.797 -5.184 509 HD2 PHE 4 HD2 PHE 4 1.017 8.856 -6.506 510 HE1 PHE 4 HE1 PHE 4 0.750 5.464 -2.936 511 HE2 PHE 4 HE2 PHE 4 0.320 9.499 -4.244 512 HZ PHE 4 HZ PHE 4 0.188 7.810 -2.469 513 H GLU 5 H GLU 5 4.645 4.303 -8.043 514 HA GLU 5 HA GLU 5 4.710 4.600 -10.980 515 HB2 GLU 5 HB2 GLU 5 6.445 2.946 -9.092 516 HB3 GLU 5 HB3 GLU 5 6.539 2.833 -10.850 517 HG2 GLU 5 HG2 GLU 5 7.118 5.248 -10.947 518 HG3 GLU 5 HG3 GLU 5 7.096 5.301 -9.183 519 H ILE 6 H ILE 6 3.029 3.565 -11.959 520 HA ILE 6 HA ILE 6 1.804 1.187 -10.716 521 HB ILE 6 HB ILE 6 0.786 2.805 -13.100 522 HG12 ILE 6 HG12 ILE 6 -0.295 3.125 -10.277 523 HG13 ILE 6 HG13 ILE 6 1.059 4.103 -10.829 524 HG21 ILE 6 HG21 ILE 6 -1.392 1.724 -12.586 525 HG22 ILE 6 HG22 ILE 6 -0.651 0.851 -11.242 526 HG23 ILE 6 HG23 ILE 6 -0.137 0.513 -12.898 527 HD11 ILE 6 HD11 ILE 6 -1.632 3.991 -12.152 528 HD12 ILE 6 HD12 ILE 6 -0.284 5.041 -12.589 529 HD13 ILE 6 HD13 ILE 6 -1.084 5.230 -11.032 530 H TYR 7 H TYR 7 2.246 -0.720 -11.619 531 HA TYR 7 HA TYR 7 2.681 -1.018 -14.468 532 HB2 TYR 7 HB2 TYR 7 4.882 -2.204 -14.162 533 HB3 TYR 7 HB3 TYR 7 4.972 -0.490 -13.746 534 HD1 TYR 7 HD1 TYR 7 5.216 0.206 -11.387 535 HD2 TYR 7 HD2 TYR 7 5.102 -3.936 -12.408 536 HE1 TYR 7 HE1 TYR 7 6.002 -0.375 -9.154 537 HE2 TYR 7 HE2 TYR 7 5.888 -4.520 -10.156 538 HH TYR 7 HH TYR 7 5.908 -2.301 -7.600 539 H GLN 8 H GLN 8 3.351 -3.473 -14.756 540 HA GLN 8 HA GLN 8 2.102 -5.194 -12.697 541 HB2 GLN 8 HB2 GLN 8 1.205 -6.742 -14.280 542 HB3 GLN 8 HB3 GLN 8 0.670 -5.157 -14.825 543 HG2 GLN 8 HG2 GLN 8 2.358 -5.142 -16.580 544 HG3 GLN 8 HG3 GLN 8 3.049 -6.637 -15.969 545 HE21 GLN 8 HE21 GLN 8 -0.411 -6.391 -16.052 546 HE22 GLN 8 HE22 GLN 8 -0.653 -7.388 -17.429 547 H ASP 9 H ASP 9 3.045 -7.385 -12.733 548 HA ASP 9 HA ASP 9 5.879 -7.407 -13.655 549 HB2 ASP 9 HB2 ASP 9 6.455 -8.834 -11.812 550 HB3 ASP 9 HB3 ASP 9 5.503 -7.525 -11.120 551 H LYS 10 H LYS 10 6.524 -9.901 -13.741 552 HA LYS 10 HA LYS 10 5.867 -10.864 -16.158 553 HB2 LYS 10 HB2 LYS 10 7.811 -11.539 -14.819 554 HB3 LYS 10 HB3 LYS 10 6.789 -12.440 -13.715 555 HG2 LYS 10 HG2 LYS 10 6.828 -13.229 -16.625 556 HG3 LYS 10 HG3 LYS 10 8.213 -13.643 -15.615 557 HD2 LYS 10 HD2 LYS 10 6.709 -14.865 -14.062 558 HD3 LYS 10 HD3 LYS 10 5.328 -14.463 -15.084 559 HE2 LYS 10 HE2 LYS 10 6.338 -15.745 -16.940 560 HE3 LYS 10 HE3 LYS 10 7.716 -16.144 -15.911 561 HZ1 LYS 10 HZ1 LYS 10 6.129 -17.946 -15.985 562 HZ2 LYS 10 HZ2 LYS 10 4.896 -16.938 -15.419 563 HZ3 LYS 10 HZ3 LYS 10 6.211 -17.313 -14.422 564 H ALA 11 H ALA 11 4.135 -11.688 -13.181 565 HA ALA 11 HA ALA 11 2.526 -13.812 -14.341 566 HB1 ALA 11 HB1 ALA 11 1.425 -13.860 -12.135 567 HB2 ALA 11 HB2 ALA 11 2.252 -12.366 -11.687 568 HB3 ALA 11 HB3 ALA 11 3.184 -13.836 -11.969 569 H GLY 12 H GLY 12 2.382 -10.701 -15.130 570 HA2 GLY 12 HA2 GLY 12 0.890 -9.243 -15.979 571 HA3 GLY 12 HA3 GLY 12 -0.286 -10.540 -15.986 572 H GLU 13 H GLU 13 1.381 -9.463 -13.083 573 HA GLU 13 HA GLU 13 -1.300 -8.908 -11.904 574 HB2 GLU 13 HB2 GLU 13 1.314 -9.741 -10.589 575 HB3 GLU 13 HB3 GLU 13 -0.124 -9.272 -9.687 576 HG2 GLU 13 HG2 GLU 13 0.120 -11.630 -11.576 577 HG3 GLU 13 HG3 GLU 13 0.086 -11.699 -9.814 578 H TYR 14 H TYR 14 -1.719 -6.825 -12.015 579 HA TYR 14 HA TYR 14 0.056 -4.731 -11.992 580 HB2 TYR 14 HB2 TYR 14 -2.912 -4.756 -11.336 581 HB3 TYR 14 HB3 TYR 14 -1.971 -3.279 -11.560 582 HD1 TYR 14 HD1 TYR 14 -3.350 -6.253 -13.293 583 HD2 TYR 14 HD2 TYR 14 -1.115 -2.637 -13.781 584 HE1 TYR 14 HE1 TYR 14 -3.532 -6.459 -15.732 585 HE2 TYR 14 HE2 TYR 14 -1.319 -2.844 -16.218 586 HH TYR 14 HH TYR 14 -1.655 -4.714 -17.874 587 H ARG 15 H ARG 15 1.119 -3.696 -10.631 588 HA ARG 15 HA ARG 15 0.413 -3.388 -7.818 589 HB2 ARG 15 HB2 ARG 15 3.349 -3.717 -8.080 590 HB3 ARG 15 HB3 ARG 15 2.257 -4.349 -6.867 591 HG2 ARG 15 HG2 ARG 15 2.410 -5.693 -9.558 592 HG3 ARG 15 HG3 ARG 15 3.701 -5.950 -8.387 593 HD2 ARG 15 HD2 ARG 15 2.003 -6.767 -6.748 594 HD3 ARG 15 HD3 ARG 15 0.758 -6.582 -7.992 595 HE ARG 15 HE ARG 15 2.312 -8.132 -9.329 596 HH11 ARG 15 HH11 ARG 15 1.661 -8.491 -5.906 597 HH12 ARG 15 HH12 ARG 15 2.041 -10.179 -5.896 598 HH21 ARG 15 HH21 ARG 15 2.851 -10.317 -9.296 599 HH22 ARG 15 HH22 ARG 15 2.726 -11.216 -7.810 600 H PHE 16 H PHE 16 0.761 -1.306 -7.202 601 HA PHE 16 HA PHE 16 2.605 0.353 -8.799 602 HB2 PHE 16 HB2 PHE 16 1.468 2.327 -7.670 603 HB3 PHE 16 HB3 PHE 16 0.492 1.430 -8.817 604 HD1 PHE 16 HD1 PHE 16 0.990 2.138 -5.194 605 HD2 PHE 16 HD2 PHE 16 -1.538 0.321 -8.132 606 HE1 PHE 16 HE1 PHE 16 -0.826 1.956 -3.541 607 HE2 PHE 16 HE2 PHE 16 -3.336 0.145 -6.466 608 HZ PHE 16 HZ PHE 16 -2.982 0.960 -4.173 609 H ARG 17 H ARG 17 3.921 1.854 -7.663 610 HA ARG 17 HA ARG 17 4.845 1.030 -4.967 611 HB2 ARG 17 HB2 ARG 17 6.351 2.524 -7.179 612 HB3 ARG 17 HB3 ARG 17 7.005 2.147 -5.586 613 HG2 ARG 17 HG2 ARG 17 6.905 -0.248 -6.107 614 HG3 ARG 17 HG3 ARG 17 6.217 0.114 -7.689 615 HD2 ARG 17 HD2 ARG 17 8.317 1.449 -8.186 616 HD3 ARG 17 HD3 ARG 17 8.995 0.815 -6.679 617 HE ARG 17 HE ARG 17 8.649 -1.458 -7.678 618 HH11 ARG 17 HH11 ARG 17 9.077 1.309 -9.811 619 HH12 ARG 17 HH12 ARG 17 9.696 0.350 -11.116 620 HH21 ARG 17 HH21 ARG 17 9.459 -2.687 -9.410 621 HH22 ARG 17 HH22 ARG 17 9.894 -1.904 -10.896 622 H PHE 18 H PHE 18 5.403 2.831 -3.538 623 HA PHE 18 HA PHE 18 4.968 5.538 -4.656 624 HB2 PHE 18 HB2 PHE 18 3.349 5.099 -2.813 625 HB3 PHE 18 HB3 PHE 18 4.687 4.706 -1.740 626 HD1 PHE 18 HD1 PHE 18 4.304 7.525 -4.194 627 HD2 PHE 18 HD2 PHE 18 4.628 6.378 -0.087 628 HE1 PHE 18 HE1 PHE 18 4.391 9.882 -3.536 629 HE2 PHE 18 HE2 PHE 18 4.686 8.740 0.567 630 HZ PHE 18 HZ PHE 18 4.601 10.493 -1.157 631 H LYS 19 H LYS 19 6.709 6.722 -4.677 632 HA LYS 19 HA LYS 19 9.268 5.468 -3.927 633 HB2 LYS 19 HB2 LYS 19 8.600 7.678 -5.946 634 HB3 LYS 19 HB3 LYS 19 10.205 6.988 -5.670 635 HG2 LYS 19 HG2 LYS 19 7.775 5.461 -6.674 636 HG3 LYS 19 HG3 LYS 19 9.136 6.008 -7.665 637 HD2 LYS 19 HD2 LYS 19 9.431 4.097 -5.295 638 HD3 LYS 19 HD3 LYS 19 9.245 3.555 -6.961 639 HE2 LYS 19 HE2 LYS 19 11.478 5.410 -6.071 640 HE3 LYS 19 HE3 LYS 19 11.635 3.665 -6.114 641 HZ1 LYS 19 HZ1 LYS 19 11.080 3.744 -8.496 642 HZ2 LYS 19 HZ2 LYS 19 12.484 4.616 -8.132 643 HZ3 LYS 19 HZ3 LYS 19 11.037 5.434 -8.417 644 H ALA 20 H ALA 20 10.999 7.311 -3.782 645 HA ALA 20 HA ALA 20 10.193 9.443 -1.907 646 HB1 ALA 20 HB1 ALA 20 12.214 8.984 -0.560 647 HB2 ALA 20 HB2 ALA 20 12.598 7.603 -1.591 648 HB3 ALA 20 HB3 ALA 20 11.146 7.579 -0.591 649 H SER 21 H SER 21 11.641 11.253 -1.939 650 HA SER 21 HA SER 21 12.362 12.359 -4.253 651 HB2 SER 21 HB2 SER 21 13.858 12.833 -1.648 652 HB3 SER 21 HB3 SER 21 13.662 13.979 -2.976 653 HG SER 21 HG SER 21 11.901 13.244 -0.988 654 H ASN 22 H ASN 22 14.554 10.240 -2.381 655 HA ASN 22 HA ASN 22 16.803 10.766 -4.194 656 HB2 ASN 22 HB2 ASN 22 18.214 9.820 -2.582 657 HB3 ASN 22 HB3 ASN 22 16.968 10.588 -1.607 658 HD21 ASN 22 HD21 ASN 22 18.450 7.632 -2.539 659 HD22 ASN 22 HD22 ASN 22 17.587 6.602 -1.461 660 H GLY 23 H GLY 23 14.195 8.843 -4.451 661 HA2 GLY 23 HA2 GLY 23 13.766 7.319 -6.137 662 HA3 GLY 23 HA3 GLY 23 15.470 7.009 -6.318 663 H GLU 24 H GLU 24 14.152 6.859 -3.135 664 HA GLU 24 HA GLU 24 14.443 3.957 -2.976 665 HB2 GLU 24 HB2 GLU 24 13.547 6.011 -0.915 666 HB3 GLU 24 HB3 GLU 24 13.604 4.282 -0.587 667 HG2 GLU 24 HG2 GLU 24 15.935 6.087 -1.229 668 HG3 GLU 24 HG3 GLU 24 15.558 5.354 0.323 669 H THR 25 H THR 25 12.737 2.495 -2.521 670 HA THR 25 HA THR 25 9.958 3.505 -2.845 671 HB THR 25 HB THR 25 10.990 0.647 -3.142 672 HG1 THR 25 HG1 THR 25 11.743 1.771 -4.862 673 HG21 THR 25 HG21 THR 25 8.605 0.716 -2.486 674 HG22 THR 25 HG22 THR 25 8.793 0.149 -4.146 675 HG23 THR 25 HG23 THR 25 8.267 1.804 -3.835 676 H MET 26 H MET 26 8.557 3.143 -1.240 677 HA MET 26 HA MET 26 9.602 2.053 1.327 678 HB2 MET 26 HB2 MET 26 8.004 3.761 2.392 679 HB3 MET 26 HB3 MET 26 9.472 4.375 1.649 680 HG2 MET 26 HG2 MET 26 7.610 5.818 1.129 681 HG3 MET 26 HG3 MET 26 8.185 5.049 -0.345 682 HE1 MET 26 HE1 MET 26 5.442 5.028 2.442 683 HE2 MET 26 HE2 MET 26 5.985 3.347 2.424 684 HE3 MET 26 HE3 MET 26 4.366 3.761 1.863 685 H PHE 27 H PHE 27 6.720 2.263 -0.760 686 HA PHE 27 HA PHE 27 6.153 -0.441 0.169 687 HB2 PHE 27 HB2 PHE 27 3.917 -0.194 0.782 688 HB3 PHE 27 HB3 PHE 27 4.531 1.355 1.328 689 HD1 PHE 27 HD1 PHE 27 2.498 -0.365 -1.292 690 HD2 PHE 27 HD2 PHE 27 3.722 3.378 0.323 691 HE1 PHE 27 HE1 PHE 27 0.806 0.819 -2.650 692 HE2 PHE 27 HE2 PHE 27 2.071 4.548 -0.961 693 HZ PHE 27 HZ PHE 27 0.576 3.283 -2.490 694 H SER 28 H SER 28 4.845 -1.581 -1.222 695 HA SER 28 HA SER 28 4.018 -0.791 -3.816 696 HB2 SER 28 HB2 SER 28 5.658 -2.147 -5.158 697 HB3 SER 28 HB3 SER 28 6.433 -0.800 -4.330 698 HG SER 28 HG SER 28 6.642 -3.548 -3.870 699 H SER 29 H SER 29 3.453 -2.869 -5.155 700 HA SER 29 HA SER 29 3.090 -5.061 -5.519 701 HB2 SER 29 HB2 SER 29 4.621 -5.552 -2.922 702 HB3 SER 29 HB3 SER 29 4.313 -6.746 -4.186 703 HG SER 29 HG SER 29 5.750 -5.778 -5.472 704 H GLU 30 H GLU 30 1.088 -3.538 -4.270 705 HA GLU 30 HA GLU 30 -0.174 -5.054 -2.205 706 HB2 GLU 30 HB2 GLU 30 -1.942 -3.513 -2.285 707 HB3 GLU 30 HB3 GLU 30 -0.525 -2.567 -2.694 708 HG2 GLU 30 HG2 GLU 30 -2.707 -3.516 -4.558 709 HG3 GLU 30 HG3 GLU 30 -2.385 -1.861 -4.047 710 H GLY 31 H GLY 31 -0.402 -5.058 -5.774 711 HA2 GLY 31 HA2 GLY 31 -1.119 -6.686 -7.187 712 HA3 GLY 31 HA3 GLY 31 -1.211 -7.782 -5.815 713 H TYR 32 H TYR 32 -2.974 -4.843 -7.006 714 HA TYR 32 HA TYR 32 -5.111 -5.433 -5.165 715 HB2 TYR 32 HB2 TYR 32 -4.332 -3.090 -5.700 716 HB3 TYR 32 HB3 TYR 32 -5.046 -3.260 -7.300 717 HD1 TYR 32 HD1 TYR 32 -6.343 -4.245 -3.892 718 HD2 TYR 32 HD2 TYR 32 -6.921 -1.794 -7.348 719 HE1 TYR 32 HE1 TYR 32 -8.482 -3.453 -2.973 720 HE2 TYR 32 HE2 TYR 32 -9.056 -1.010 -6.426 721 HH TYR 32 HH TYR 32 -9.994 -1.566 -3.189 722 H LYS 33 H LYS 33 -5.225 -4.873 -8.728 723 HA LYS 33 HA LYS 33 -6.517 -7.352 -9.279 724 HB2 LYS 33 HB2 LYS 33 -8.467 -6.146 -8.257 725 HB3 LYS 33 HB3 LYS 33 -8.301 -4.871 -9.455 726 HG2 LYS 33 HG2 LYS 33 -10.145 -6.397 -10.021 727 HG3 LYS 33 HG3 LYS 33 -8.888 -6.438 -11.257 728 HD2 LYS 33 HD2 LYS 33 -9.741 -8.704 -10.758 729 HD3 LYS 33 HD3 LYS 33 -8.032 -8.560 -10.353 730 HE2 LYS 33 HE2 LYS 33 -8.643 -8.256 -7.962 731 HE3 LYS 33 HE3 LYS 33 -10.347 -8.462 -8.376 732 HZ1 LYS 33 HZ1 LYS 33 -9.808 -10.704 -9.173 733 HZ2 LYS 33 HZ2 LYS 33 -9.405 -10.512 -7.544 734 HZ3 LYS 33 HZ3 LYS 33 -8.192 -10.486 -8.717 735 H ALA 34 H ALA 34 -6.791 -4.058 -10.653 736 HA ALA 34 HA ALA 34 -5.458 -4.922 -13.144 737 HB1 ALA 34 HB1 ALA 34 -7.316 -4.037 -14.501 738 HB2 ALA 34 HB2 ALA 34 -8.228 -3.662 -13.035 739 HB3 ALA 34 HB3 ALA 34 -7.880 -5.340 -13.450 740 H LYS 35 H LYS 35 -5.446 -2.727 -14.697 741 HA LYS 35 HA LYS 35 -3.898 -0.809 -13.359 742 HB2 LYS 35 HB2 LYS 35 -3.468 -1.116 -15.653 743 HB3 LYS 35 HB3 LYS 35 -5.165 -1.136 -16.081 744 HG2 LYS 35 HG2 LYS 35 -4.207 0.808 -17.044 745 HG3 LYS 35 HG3 LYS 35 -5.239 1.335 -15.714 746 HD2 LYS 35 HD2 LYS 35 -3.259 1.644 -14.286 747 HD3 LYS 35 HD3 LYS 35 -2.212 1.085 -15.598 748 HE2 LYS 35 HE2 LYS 35 -3.995 3.546 -15.714 749 HE3 LYS 35 HE3 LYS 35 -2.261 3.562 -15.398 750 HZ1 LYS 35 HZ1 LYS 35 -2.775 4.068 -17.694 751 HZ2 LYS 35 HZ2 LYS 35 -3.537 2.577 -17.890 752 HZ3 LYS 35 HZ3 LYS 35 -1.873 2.644 -17.582 753 H ALA 36 H ALA 36 -7.237 -0.605 -14.648 754 HA ALA 36 HA ALA 36 -7.855 1.994 -13.831 755 HB1 ALA 36 HB1 ALA 36 -9.766 -0.340 -14.149 756 HB2 ALA 36 HB2 ALA 36 -9.207 0.724 -15.440 757 HB3 ALA 36 HB3 ALA 36 -10.209 1.371 -14.138 758 H SER 37 H SER 37 -8.158 -1.086 -12.117 759 HA SER 37 HA SER 37 -9.451 -0.145 -9.777 760 HB2 SER 37 HB2 SER 37 -7.616 -2.567 -10.068 761 HB3 SER 37 HB3 SER 37 -8.882 -2.325 -8.860 762 HG SER 37 HG SER 37 -10.328 -2.186 -10.773 763 H ALA 38 H ALA 38 -6.085 -0.375 -10.821 764 HA ALA 38 HA ALA 38 -4.815 -0.015 -8.321 765 HB1 ALA 38 HB1 ALA 38 -3.731 0.568 -11.098 766 HB2 ALA 38 HB2 ALA 38 -3.645 -0.984 -10.261 767 HB3 ALA 38 HB3 ALA 38 -2.774 0.413 -9.623 768 H ILE 39 H ILE 39 -5.522 2.328 -10.986 769 HA ILE 39 HA ILE 39 -4.712 4.655 -9.740 770 HB ILE 39 HB ILE 39 -6.789 4.096 -11.880 771 HG12 ILE 39 HG12 ILE 39 -5.234 5.437 -13.292 772 HG13 ILE 39 HG13 ILE 39 -4.213 5.749 -11.892 773 HG21 ILE 39 HG21 ILE 39 -7.157 6.527 -12.238 774 HG22 ILE 39 HG22 ILE 39 -6.284 6.865 -10.741 775 HG23 ILE 39 HG23 ILE 39 -7.806 5.974 -10.693 776 HD11 ILE 39 HD11 ILE 39 -3.274 4.049 -13.310 777 HD12 ILE 39 HD12 ILE 39 -4.730 3.067 -13.159 778 HD13 ILE 39 HD13 ILE 39 -3.707 3.359 -11.747 779 H HIS 40 H HIS 40 -7.946 3.106 -9.547 780 HA HIS 40 HA HIS 40 -9.196 5.049 -7.944 781 HB2 HIS 40 HB2 HIS 40 -9.748 2.107 -8.391 782 HB3 HIS 40 HB3 HIS 40 -10.669 2.989 -7.178 783 HD1 HIS 40 HD1 HIS 40 -12.856 3.617 -8.101 784 HD2 HIS 40 HD2 HIS 40 -9.872 3.902 -10.978 785 HE1 HIS 40 HE1 HIS 40 -13.990 4.457 -10.171 786 HE2 HIS 40 HE2 HIS 40 -12.133 4.804 -11.819 787 H ALA 41 H ALA 41 -7.299 2.174 -6.990 788 HA ALA 41 HA ALA 41 -7.436 2.440 -4.241 789 HB1 ALA 41 HB1 ALA 41 -5.313 1.178 -4.199 790 HB2 ALA 41 HB2 ALA 41 -5.104 1.466 -5.933 791 HB3 ALA 41 HB3 ALA 41 -6.457 0.489 -5.356 792 H ILE 42 H ILE 42 -4.903 3.740 -6.426 793 HA ILE 42 HA ILE 42 -3.500 5.271 -4.561 794 HB ILE 42 HB ILE 42 -3.850 5.795 -7.539 795 HG12 ILE 42 HG12 ILE 42 -1.534 4.367 -6.154 796 HG13 ILE 42 HG13 ILE 42 -2.934 3.504 -6.785 797 HG21 ILE 42 HG21 ILE 42 -1.704 7.045 -7.408 798 HG22 ILE 42 HG22 ILE 42 -1.689 6.837 -5.655 799 HG23 ILE 42 HG23 ILE 42 -2.955 7.801 -6.418 800 HD11 ILE 42 HD11 ILE 42 -2.442 4.269 -9.012 801 HD12 ILE 42 HD12 ILE 42 -1.053 3.450 -8.299 802 HD13 ILE 42 HD13 ILE 42 -1.068 5.210 -8.412 803 H GLU 43 H GLU 43 -6.542 5.946 -6.148 804 HA GLU 43 HA GLU 43 -6.575 8.755 -5.812 805 HB2 GLU 43 HB2 GLU 43 -8.812 6.751 -6.219 806 HB3 GLU 43 HB3 GLU 43 -9.148 8.462 -5.977 807 HG2 GLU 43 HG2 GLU 43 -7.834 9.013 -8.002 808 HG3 GLU 43 HG3 GLU 43 -7.489 7.301 -8.243 809 H SER 44 H SER 44 -7.552 6.022 -3.729 810 HA SER 44 HA SER 44 -8.648 7.340 -1.538 811 HB2 SER 44 HB2 SER 44 -6.835 4.923 -1.735 812 HB3 SER 44 HB3 SER 44 -7.397 5.488 -0.162 813 HG SER 44 HG SER 44 -9.421 4.916 -0.674 814 H ILE 45 H ILE 45 -5.249 7.057 -2.477 815 HA ILE 45 HA ILE 45 -4.209 7.982 -0.008 816 HB ILE 45 HB ILE 45 -2.573 8.353 -2.561 817 HG12 ILE 45 HG12 ILE 45 -3.663 6.015 -2.628 818 HG13 ILE 45 HG13 ILE 45 -1.906 6.038 -2.643 819 HG21 ILE 45 HG21 ILE 45 -0.750 7.698 -0.992 820 HG22 ILE 45 HG22 ILE 45 -1.958 7.497 0.297 821 HG23 ILE 45 HG23 ILE 45 -1.666 9.093 -0.413 822 HD11 ILE 45 HD11 ILE 45 -3.669 5.424 -0.281 823 HD12 ILE 45 HD12 ILE 45 -1.904 5.476 -0.245 824 HD13 ILE 45 HD13 ILE 45 -2.731 4.278 -1.233 825 H LYS 46 H LYS 46 -4.900 9.492 -3.140 826 HA LYS 46 HA LYS 46 -3.926 12.050 -2.615 827 HB2 LYS 46 HB2 LYS 46 -6.293 11.716 -4.464 828 HB3 LYS 46 HB3 LYS 46 -4.880 12.741 -4.640 829 HG2 LYS 46 HG2 LYS 46 -5.161 9.793 -5.231 830 HG3 LYS 46 HG3 LYS 46 -4.708 11.095 -6.327 831 HD2 LYS 46 HD2 LYS 46 -2.977 10.048 -4.042 832 HD3 LYS 46 HD3 LYS 46 -2.814 9.565 -5.728 833 HE2 LYS 46 HE2 LYS 46 -2.409 12.370 -4.668 834 HE3 LYS 46 HE3 LYS 46 -1.148 11.227 -5.065 835 HZ1 LYS 46 HZ1 LYS 46 -1.899 11.226 -7.352 836 HZ2 LYS 46 HZ2 LYS 46 -1.519 12.793 -6.852 837 HZ3 LYS 46 HZ3 LYS 46 -3.132 12.323 -6.973 838 H ARG 47 H ARG 47 -6.880 10.551 -1.653 839 HA ARG 47 HA ARG 47 -8.577 12.791 -1.360 840 HB2 ARG 47 HB2 ARG 47 -8.730 10.263 0.326 841 HB3 ARG 47 HB3 ARG 47 -10.022 11.418 0.051 842 HG2 ARG 47 HG2 ARG 47 -8.846 9.477 -1.938 843 HG3 ARG 47 HG3 ARG 47 -10.436 9.405 -1.194 844 HD2 ARG 47 HD2 ARG 47 -11.109 11.440 -2.419 845 HD3 ARG 47 HD3 ARG 47 -9.497 11.536 -3.148 846 HE ARG 47 HE ARG 47 -10.685 8.989 -3.616 847 HH11 ARG 47 HH11 ARG 47 -10.829 12.298 -4.805 848 HH12 ARG 47 HH12 ARG 47 -11.401 11.823 -6.371 849 HH21 ARG 47 HH21 ARG 47 -11.438 8.394 -5.643 850 HH22 ARG 47 HH22 ARG 47 -11.726 9.598 -6.859 851 H ASN 48 H ASN 48 -6.521 11.152 1.051 852 HA ASN 48 HA ASN 48 -6.248 13.392 2.803 853 HB2 ASN 48 HB2 ASN 48 -8.759 12.826 3.045 854 HB3 ASN 48 HB3 ASN 48 -8.260 11.364 3.880 855 HD21 ASN 48 HD21 ASN 48 -7.398 11.543 5.981 856 HD22 ASN 48 HD22 ASN 48 -7.541 12.990 6.912 857 H SER 49 H SER 49 -4.823 10.811 1.799 858 HA SER 49 HA SER 49 -4.441 9.096 4.056 859 HB2 SER 49 HB2 SER 49 -4.143 8.418 1.677 860 HB3 SER 49 HB3 SER 49 -2.650 9.351 1.631 861 HG SER 49 HG SER 49 -3.031 6.879 2.472 862 H ALA 50 H ALA 50 -2.507 11.785 2.738 863 HA ALA 50 HA ALA 50 -0.350 11.657 4.513 864 HB1 ALA 50 HB1 ALA 50 -1.568 14.128 3.242 865 HB2 ALA 50 HB2 ALA 50 -0.380 13.059 2.491 866 HB3 ALA 50 HB3 ALA 50 0.061 14.000 3.917 867 H GLY 51 H GLY 51 -3.595 12.880 4.978 868 HA2 GLY 51 HA2 GLY 51 -3.009 13.843 7.707 869 HA3 GLY 51 HA3 GLY 51 -4.497 14.090 6.809 870 H ALA 52 H ALA 52 -3.921 10.925 6.293 871 HA ALA 52 HA ALA 52 -5.890 9.935 8.081 872 HB1 ALA 52 HB1 ALA 52 -5.297 7.706 7.192 873 HB2 ALA 52 HB2 ALA 52 -3.833 8.382 6.452 874 HB3 ALA 52 HB3 ALA 52 -5.428 8.892 5.889 875 H ASP 53 H ASP 53 -5.499 8.057 9.621 876 HA ASP 53 HA ASP 53 -3.298 8.752 11.424 877 HB2 ASP 53 HB2 ASP 53 -5.719 8.511 12.227 878 HB3 ASP 53 HB3 ASP 53 -5.553 6.776 11.969 879 H THR 54 H THR 54 -1.962 7.099 12.379 880 HA THR 54 HA THR 54 -1.490 4.743 10.643 881 HB THR 54 HB THR 54 0.532 6.278 12.342 882 HG1 THR 54 HG1 THR 54 -0.271 6.453 9.642 883 HG21 THR 54 HG21 THR 54 1.212 3.917 12.038 884 HG22 THR 54 HG22 THR 54 2.247 4.988 11.083 885 HG23 THR 54 HG23 THR 54 0.966 4.065 10.296 886 H VAL 55 H VAL 55 -2.521 3.139 11.631 887 HA VAL 55 HA VAL 55 -2.482 2.774 14.566 888 HB VAL 55 HB VAL 55 -4.311 1.575 12.426 889 HG11 VAL 55 HG11 VAL 55 -4.076 0.030 14.319 890 HG12 VAL 55 HG12 VAL 55 -5.696 0.719 14.274 891 HG13 VAL 55 HG13 VAL 55 -4.518 1.313 15.449 892 HG21 VAL 55 HG21 VAL 55 -4.904 3.742 14.478 893 HG22 VAL 55 HG22 VAL 55 -6.073 3.025 13.364 894 HG23 VAL 55 HG23 VAL 55 -4.726 3.972 12.735 895 H ASP 56 H ASP 56 -1.319 1.085 15.385 896 HA ASP 56 HA ASP 56 -0.458 -1.138 13.623 897 HB2 ASP 56 HB2 ASP 56 1.388 0.115 14.648 898 HB3 ASP 56 HB3 ASP 56 0.726 -0.164 16.254 899 H LEU 57 H LEU 57 -1.511 -2.940 13.836 900 HA LEU 57 HA LEU 57 -3.128 -3.642 16.143 901 HB2 LEU 57 HB2 LEU 57 -2.814 -4.975 13.423 902 HB3 LEU 57 HB3 LEU 57 -3.938 -5.505 14.661 903 HG LEU 57 HG LEU 57 -5.189 -4.286 13.006 904 HD11 LEU 57 HD11 LEU 57 -5.915 -3.901 15.304 905 HD12 LEU 57 HD12 LEU 57 -6.222 -2.497 14.288 906 HD13 LEU 57 HD13 LEU 57 -4.867 -2.482 15.420 907 HD21 LEU 57 HD21 LEU 57 -3.308 -1.941 13.359 908 HD22 LEU 57 HD22 LEU 57 -4.756 -1.980 12.345 909 HD23 LEU 57 HD23 LEU 57 -3.385 -3.021 11.964 910 H THR 58 H THR 58 0.073 -4.478 15.030 911 HA THR 58 HA THR 58 -0.138 -7.280 15.918 912 HB THR 58 HB THR 58 1.000 -6.910 13.781 913 HG1 THR 58 HG1 THR 58 2.122 -8.230 15.867 914 HG21 THR 58 HG21 THR 58 1.955 -4.680 14.140 915 HG22 THR 58 HG22 THR 58 3.196 -5.825 13.627 916 HG23 THR 58 HG23 THR 58 3.089 -5.348 15.320 917 H THR 59 H THR 59 0.376 -4.405 17.417 918 HA THR 59 HA THR 59 1.711 -3.491 19.018 919 HB THR 59 HB THR 59 1.147 -4.596 21.240 920 HG1 THR 59 HG1 THR 59 0.175 -6.563 19.436 921 HG21 THR 59 HG21 THR 59 -1.154 -4.212 19.279 922 HG22 THR 59 HG22 THR 59 -0.367 -2.929 20.201 923 HG23 THR 59 HG23 THR 59 -1.275 -4.184 21.041 924 H MET 60 H MET 60 2.323 -6.893 19.994 925 HA MET 60 HA MET 60 5.049 -6.425 20.668 926 HB2 MET 60 HB2 MET 60 5.220 -8.846 21.010 927 HB3 MET 60 HB3 MET 60 3.743 -8.234 21.735 928 HG2 MET 60 HG2 MET 60 3.808 -9.576 19.022 929 HG3 MET 60 HG3 MET 60 3.548 -10.450 20.529 930 HE1 MET 60 HE1 MET 60 1.328 -10.317 21.974 931 HE2 MET 60 HE2 MET 60 0.077 -9.100 21.717 932 HE3 MET 60 HE3 MET 60 1.681 -8.613 22.266 933 H THR 61 H THR 61 6.902 -7.631 19.672 934 HA THR 61 HA THR 61 6.766 -7.640 16.709 935 HB THR 61 HB THR 61 9.273 -7.323 16.822 936 HG1 THR 61 HG1 THR 61 10.177 -7.596 18.700 937 HG21 THR 61 HG21 THR 61 7.692 -5.169 18.277 938 HG22 THR 61 HG22 THR 61 7.802 -5.347 16.523 939 HG23 THR 61 HG23 THR 61 9.245 -4.953 17.457 940 H ALA 62 H ALA 62 7.608 -9.399 15.568 941 HA ALA 62 HA ALA 62 8.870 -11.647 16.924 942 HB1 ALA 62 HB1 ALA 62 6.460 -12.128 17.223 943 HB2 ALA 62 HB2 ALA 62 7.214 -13.304 16.145 944 HB3 ALA 62 HB3 ALA 62 6.212 -12.012 15.480 Start of MODEL 17 1 H MET 1 H MET 1 -11.492 8.381 11.521 2 HA MET 1 HA MET 1 -12.105 8.792 8.658 3 HB2 MET 1 HB2 MET 1 -10.896 10.733 9.782 4 HB3 MET 1 HB3 MET 1 -9.590 9.634 10.197 5 HG2 MET 1 HG2 MET 1 -9.213 9.239 7.759 6 HG3 MET 1 HG3 MET 1 -10.451 10.438 7.400 7 HE1 MET 1 HE1 MET 1 -8.736 13.715 8.836 8 HE2 MET 1 HE2 MET 1 -9.833 12.645 9.712 9 HE3 MET 1 HE3 MET 1 -10.165 13.074 8.032 10 H TYR 2 H TYR 2 -10.674 7.581 7.234 11 HA TYR 2 HA TYR 2 -9.916 4.993 8.086 12 HB2 TYR 2 HB2 TYR 2 -8.650 4.995 5.780 13 HB3 TYR 2 HB3 TYR 2 -10.406 5.002 5.834 14 HD1 TYR 2 HD1 TYR 2 -7.760 7.729 5.971 15 HD2 TYR 2 HD2 TYR 2 -11.288 6.243 4.090 16 HE1 TYR 2 HE1 TYR 2 -7.829 9.704 4.505 17 HE2 TYR 2 HE2 TYR 2 -11.364 8.204 2.641 18 HH TYR 2 HH TYR 2 -8.757 10.355 2.336 19 H LYS 3 H LYS 3 -7.595 4.174 7.492 20 HA LYS 3 HA LYS 3 -5.416 5.733 8.380 21 HB2 LYS 3 HB2 LYS 3 -5.082 4.515 10.627 22 HB3 LYS 3 HB3 LYS 3 -6.296 5.773 10.570 23 HG2 LYS 3 HG2 LYS 3 -7.145 4.008 11.919 24 HG3 LYS 3 HG3 LYS 3 -8.067 4.014 10.415 25 HD2 LYS 3 HD2 LYS 3 -6.945 2.049 9.614 26 HD3 LYS 3 HD3 LYS 3 -5.720 2.142 10.885 27 HE2 LYS 3 HE2 LYS 3 -7.376 0.356 11.335 28 HE3 LYS 3 HE3 LYS 3 -7.405 1.596 12.586 29 HZ1 LYS 3 HZ1 LYS 3 -9.617 0.908 11.908 30 HZ2 LYS 3 HZ2 LYS 3 -9.303 1.395 10.322 31 HZ3 LYS 3 HZ3 LYS 3 -9.360 2.545 11.562 32 H PHE 4 H PHE 4 -3.627 4.147 9.246 33 HA PHE 4 HA PHE 4 -3.338 2.025 7.222 34 HB2 PHE 4 HB2 PHE 4 -1.287 3.504 8.933 35 HB3 PHE 4 HB3 PHE 4 -0.887 2.157 7.869 36 HD1 PHE 4 HD1 PHE 4 -2.047 5.682 7.963 37 HD2 PHE 4 HD2 PHE 4 -0.747 2.451 5.475 38 HE1 PHE 4 HE1 PHE 4 -1.794 7.234 6.071 39 HE2 PHE 4 HE2 PHE 4 -0.501 4.007 3.592 40 HZ PHE 4 HZ PHE 4 -1.020 6.388 3.890 41 H GLU 5 H GLU 5 -3.646 0.025 7.904 42 HA GLU 5 HA GLU 5 -3.393 -0.686 10.747 43 HB2 GLU 5 HB2 GLU 5 -4.690 -2.127 8.405 44 HB3 GLU 5 HB3 GLU 5 -4.367 -2.933 9.942 45 HG2 GLU 5 HG2 GLU 5 -5.707 -1.068 11.057 46 HG3 GLU 5 HG3 GLU 5 -6.197 -0.576 9.434 47 H ILE 6 H ILE 6 -1.434 -1.297 11.354 48 HA ILE 6 HA ILE 6 0.467 -2.495 9.443 49 HB ILE 6 HB ILE 6 1.059 -1.432 12.245 50 HG12 ILE 6 HG12 ILE 6 1.536 0.102 9.655 51 HG13 ILE 6 HG13 ILE 6 0.116 0.347 10.666 52 HG21 ILE 6 HG21 ILE 6 2.722 -3.035 11.342 53 HG22 ILE 6 HG22 ILE 6 3.417 -1.416 11.482 54 HG23 ILE 6 HG23 ILE 6 2.926 -2.026 9.901 55 HD11 ILE 6 HD11 ILE 6 2.962 0.737 11.552 56 HD12 ILE 6 HD12 ILE 6 1.512 1.066 12.503 57 HD13 ILE 6 HD13 ILE 6 1.852 2.007 11.053 58 H TYR 7 H TYR 7 0.714 -4.608 9.640 59 HA TYR 7 HA TYR 7 0.582 -5.896 12.254 60 HB2 TYR 7 HB2 TYR 7 -0.903 -7.707 11.312 61 HB3 TYR 7 HB3 TYR 7 -1.700 -6.156 11.542 62 HD1 TYR 7 HD1 TYR 7 -0.497 -8.582 9.000 63 HD2 TYR 7 HD2 TYR 7 -2.436 -4.820 9.625 64 HE1 TYR 7 HE1 TYR 7 -1.237 -8.554 6.643 65 HE2 TYR 7 HE2 TYR 7 -3.168 -4.801 7.284 66 HH TYR 7 HH TYR 7 -2.461 -5.786 5.119 67 H GLN 8 H GLN 8 1.126 -8.320 11.863 68 HA GLN 8 HA GLN 8 3.009 -8.661 9.604 69 HB2 GLN 8 HB2 GLN 8 4.524 -9.939 10.863 70 HB3 GLN 8 HB3 GLN 8 4.072 -8.663 11.985 71 HG2 GLN 8 HG2 GLN 8 2.396 -10.369 12.939 72 HG3 GLN 8 HG3 GLN 8 3.278 -11.572 12.018 73 HE21 GLN 8 HE21 GLN 8 5.509 -11.931 12.523 74 HE22 GLN 8 HE22 GLN 8 6.143 -11.559 14.081 75 H ASP 9 H ASP 9 2.953 -10.649 8.601 76 HA ASP 9 HA ASP 9 0.398 -12.034 8.591 77 HB2 ASP 9 HB2 ASP 9 1.490 -11.372 6.469 78 HB3 ASP 9 HB3 ASP 9 2.917 -12.311 6.889 79 H LYS 10 H LYS 10 0.390 -14.474 8.665 80 HA LYS 10 HA LYS 10 1.410 -15.529 11.021 81 HB2 LYS 10 HB2 LYS 10 -0.516 -16.533 9.900 82 HB3 LYS 10 HB3 LYS 10 0.478 -17.012 8.527 83 HG2 LYS 10 HG2 LYS 10 1.771 -18.533 10.047 84 HG3 LYS 10 HG3 LYS 10 0.672 -18.104 11.360 85 HD2 LYS 10 HD2 LYS 10 -0.172 -19.421 8.752 86 HD3 LYS 10 HD3 LYS 10 0.141 -20.292 10.254 87 HE2 LYS 10 HE2 LYS 10 -2.007 -18.186 9.845 88 HE3 LYS 10 HE3 LYS 10 -2.273 -19.926 9.942 89 HZ1 LYS 10 HZ1 LYS 10 -1.304 -19.805 12.224 90 HZ2 LYS 10 HZ2 LYS 10 -2.768 -18.991 12.047 91 HZ3 LYS 10 HZ3 LYS 10 -1.325 -18.119 12.094 92 H ALA 11 H ALA 11 2.765 -15.648 7.789 93 HA ALA 11 HA ALA 11 5.027 -17.314 8.301 94 HB1 ALA 11 HB1 ALA 11 4.669 -15.166 6.179 95 HB2 ALA 11 HB2 ALA 11 4.186 -16.860 6.034 96 HB3 ALA 11 HB3 ALA 11 5.895 -16.440 6.167 97 H GLY 12 H GLY 12 4.441 -14.593 9.910 98 HA2 GLY 12 HA2 GLY 12 5.566 -13.155 11.219 99 HA3 GLY 12 HA3 GLY 12 7.053 -13.938 10.750 100 H GLU 13 H GLU 13 4.930 -12.668 8.291 101 HA GLU 13 HA GLU 13 7.173 -10.900 7.446 102 HB2 GLU 13 HB2 GLU 13 4.808 -11.945 5.828 103 HB3 GLU 13 HB3 GLU 13 6.105 -10.932 5.199 104 HG2 GLU 13 HG2 GLU 13 7.723 -12.765 5.786 105 HG3 GLU 13 HG3 GLU 13 6.337 -13.771 6.217 106 H TYR 14 H TYR 14 6.809 -9.056 8.612 107 HA TYR 14 HA TYR 14 4.510 -7.709 9.150 108 HB2 TYR 14 HB2 TYR 14 7.272 -6.574 8.583 109 HB3 TYR 14 HB3 TYR 14 5.937 -5.597 9.199 110 HD1 TYR 14 HD1 TYR 14 5.059 -5.946 11.479 111 HD2 TYR 14 HD2 TYR 14 8.360 -8.259 10.048 112 HE1 TYR 14 HE1 TYR 14 5.546 -6.676 13.768 113 HE2 TYR 14 HE2 TYR 14 8.837 -8.981 12.347 114 HH TYR 14 HH TYR 14 8.447 -8.359 14.569 115 H ARG 15 H ARG 15 3.008 -6.981 8.057 116 HA ARG 15 HA ARG 15 3.277 -5.775 5.376 117 HB2 ARG 15 HB2 ARG 15 0.937 -7.570 6.173 118 HB3 ARG 15 HB3 ARG 15 1.211 -6.835 4.602 119 HG2 ARG 15 HG2 ARG 15 2.823 -9.084 5.836 120 HG3 ARG 15 HG3 ARG 15 1.613 -9.241 4.568 121 HD2 ARG 15 HD2 ARG 15 3.043 -7.827 3.089 122 HD3 ARG 15 HD3 ARG 15 4.270 -7.793 4.360 123 HE ARG 15 HE ARG 15 4.062 -10.394 4.103 124 HH11 ARG 15 HH11 ARG 15 4.042 -8.075 1.441 125 HH12 ARG 15 HH12 ARG 15 4.759 -9.187 0.323 126 HH21 ARG 15 HH21 ARG 15 4.991 -11.821 2.610 127 HH22 ARG 15 HH22 ARG 15 5.286 -11.302 0.982 128 H PHE 16 H PHE 16 2.253 -3.782 5.289 129 HA PHE 16 HA PHE 16 0.041 -3.282 7.192 130 HB2 PHE 16 HB2 PHE 16 0.547 -0.906 7.203 131 HB3 PHE 16 HB3 PHE 16 1.951 -1.816 7.721 132 HD1 PHE 16 HD1 PHE 16 0.531 0.146 4.859 133 HD2 PHE 16 HD2 PHE 16 4.054 -1.528 6.614 134 HE1 PHE 16 HE1 PHE 16 1.939 1.461 3.323 135 HE2 PHE 16 HE2 PHE 16 5.438 -0.212 5.068 136 HZ PHE 16 HZ PHE 16 4.389 1.285 3.424 137 H ARG 17 H ARG 17 -1.531 -1.745 6.422 138 HA ARG 17 HA ARG 17 -1.920 -1.577 3.507 139 HB2 ARG 17 HB2 ARG 17 -4.217 -2.410 3.677 140 HB3 ARG 17 HB3 ARG 17 -3.092 -3.630 4.256 141 HG2 ARG 17 HG2 ARG 17 -3.667 -2.987 6.608 142 HG3 ARG 17 HG3 ARG 17 -4.861 -1.851 5.969 143 HD2 ARG 17 HD2 ARG 17 -6.081 -3.701 4.905 144 HD3 ARG 17 HD3 ARG 17 -4.864 -4.852 5.469 145 HE ARG 17 HE ARG 17 -6.237 -3.308 7.533 146 HH11 ARG 17 HH11 ARG 17 -6.125 -6.361 5.756 147 HH12 ARG 17 HH12 ARG 17 -7.092 -7.195 6.933 148 HH21 ARG 17 HH21 ARG 17 -7.490 -4.448 9.048 149 HH22 ARG 17 HH22 ARG 17 -7.848 -6.122 8.781 150 H PHE 18 H PHE 18 -3.851 -0.183 3.013 151 HA PHE 18 HA PHE 18 -4.370 1.902 5.063 152 HB2 PHE 18 HB2 PHE 18 -2.891 2.841 3.288 153 HB3 PHE 18 HB3 PHE 18 -4.046 2.346 2.060 154 HD1 PHE 18 HD1 PHE 18 -4.664 4.045 5.357 155 HD2 PHE 18 HD2 PHE 18 -4.726 4.377 1.096 156 HE1 PHE 18 HE1 PHE 18 -5.709 6.256 5.543 157 HE2 PHE 18 HE2 PHE 18 -5.751 6.602 1.279 158 HZ PHE 18 HZ PHE 18 -6.283 7.524 3.505 159 H LYS 19 H LYS 19 -6.438 2.400 5.312 160 HA LYS 19 HA LYS 19 -8.407 0.625 4.041 161 HB2 LYS 19 HB2 LYS 19 -8.460 2.155 6.684 162 HB3 LYS 19 HB3 LYS 19 -9.747 1.096 6.101 163 HG2 LYS 19 HG2 LYS 19 -6.901 0.202 6.712 164 HG3 LYS 19 HG3 LYS 19 -8.275 0.026 7.808 165 HD2 LYS 19 HD2 LYS 19 -8.062 -1.241 5.044 166 HD3 LYS 19 HD3 LYS 19 -7.760 -2.080 6.561 167 HE2 LYS 19 HE2 LYS 19 -10.160 -1.506 7.212 168 HE3 LYS 19 HE3 LYS 19 -10.393 -0.956 5.562 169 HZ1 LYS 19 HZ1 LYS 19 -11.151 -3.236 5.902 170 HZ2 LYS 19 HZ2 LYS 19 -9.593 -3.705 6.352 171 HZ3 LYS 19 HZ3 LYS 19 -9.884 -3.168 4.781 172 H ALA 20 H ALA 20 -10.678 1.674 4.383 173 HA ALA 20 HA ALA 20 -10.827 4.414 3.312 174 HB1 ALA 20 HB1 ALA 20 -11.064 2.823 1.435 175 HB2 ALA 20 HB2 ALA 20 -12.580 3.665 1.748 176 HB3 ALA 20 HB3 ALA 20 -12.369 1.996 2.290 177 H SER 21 H SER 21 -12.828 5.470 3.879 178 HA SER 21 HA SER 21 -13.594 5.401 6.443 179 HB2 SER 21 HB2 SER 21 -15.576 6.775 5.780 180 HB3 SER 21 HB3 SER 21 -14.086 7.269 4.978 181 HG SER 21 HG SER 21 -15.700 5.394 3.663 182 H ASN 22 H ASN 22 -14.934 3.182 4.071 183 HA ASN 22 HA ASN 22 -17.174 2.399 5.840 184 HB2 ASN 22 HB2 ASN 22 -16.604 1.486 2.994 185 HB3 ASN 22 HB3 ASN 22 -18.080 1.198 3.908 186 HD21 ASN 22 HD21 ASN 22 -17.577 2.490 1.327 187 HD22 ASN 22 HD22 ASN 22 -18.335 4.048 1.423 188 H GLY 23 H GLY 23 -14.114 1.629 5.911 189 HA2 GLY 23 HA2 GLY 23 -12.991 -0.127 6.887 190 HA3 GLY 23 HA3 GLY 23 -14.468 -1.062 6.883 191 H GLU 24 H GLU 24 -13.588 0.240 3.841 192 HA GLU 24 HA GLU 24 -12.819 -2.378 2.771 193 HB2 GLU 24 HB2 GLU 24 -12.972 0.321 1.359 194 HB3 GLU 24 HB3 GLU 24 -12.801 -1.249 0.575 195 HG2 GLU 24 HG2 GLU 24 -15.203 -0.339 2.197 196 HG3 GLU 24 HG3 GLU 24 -15.096 -0.356 0.437 197 H THR 25 H THR 25 -10.786 -2.843 1.780 198 HA THR 25 HA THR 25 -8.534 -1.013 2.410 199 HB THR 25 HB THR 25 -8.478 -3.999 1.838 200 HG1 THR 25 HG1 THR 25 -8.047 -4.249 3.967 201 HG21 THR 25 HG21 THR 25 -6.404 -2.943 1.032 202 HG22 THR 25 HG22 THR 25 -6.096 -3.933 2.458 203 HG23 THR 25 HG23 THR 25 -6.188 -2.175 2.608 204 H MET 26 H MET 26 -7.063 -0.538 0.816 205 HA MET 26 HA MET 26 -7.912 -0.974 -1.997 206 HB2 MET 26 HB2 MET 26 -7.010 1.423 -2.365 207 HB3 MET 26 HB3 MET 26 -8.576 1.224 -1.597 208 HG2 MET 26 HG2 MET 26 -7.337 2.964 -0.486 209 HG3 MET 26 HG3 MET 26 -7.541 1.601 0.613 210 HE1 MET 26 HE1 MET 26 -3.620 2.642 -1.546 211 HE2 MET 26 HE2 MET 26 -5.136 3.518 -1.755 212 HE3 MET 26 HE3 MET 26 -4.973 1.869 -2.365 213 H PHE 27 H PHE 27 -5.089 -0.499 0.152 214 HA PHE 27 HA PHE 27 -3.675 -2.312 -1.668 215 HB2 PHE 27 HB2 PHE 27 -1.720 -1.086 -1.993 216 HB3 PHE 27 HB3 PHE 27 -2.887 0.217 -1.995 217 HD1 PHE 27 HD1 PHE 27 -0.111 -1.383 -0.100 218 HD2 PHE 27 HD2 PHE 27 -2.865 1.865 -0.210 219 HE1 PHE 27 HE1 PHE 27 1.138 -0.205 1.684 220 HE2 PHE 27 HE2 PHE 27 -1.652 3.038 1.503 221 HZ PHE 27 HZ PHE 27 0.377 2.013 2.491 222 H SER 28 H SER 28 -2.034 -3.457 -0.690 223 HA SER 28 HA SER 28 -1.535 -3.392 2.181 224 HB2 SER 28 HB2 SER 28 -2.791 -5.873 0.892 225 HB3 SER 28 HB3 SER 28 -2.196 -5.777 2.546 226 HG SER 28 HG SER 28 -3.969 -3.821 2.084 227 H SER 29 H SER 29 0.202 -5.064 2.784 228 HA SER 29 HA SER 29 1.604 -6.759 2.536 229 HB2 SER 29 HB2 SER 29 -0.002 -7.300 0.012 230 HB3 SER 29 HB3 SER 29 1.114 -8.447 0.751 231 HG SER 29 HG SER 29 -0.306 -8.875 2.246 232 H GLU 30 H GLU 30 2.726 -4.433 1.857 233 HA GLU 30 HA GLU 30 4.331 -4.587 -0.486 234 HB2 GLU 30 HB2 GLU 30 5.888 -2.996 1.063 235 HB3 GLU 30 HB3 GLU 30 4.464 -2.417 0.231 236 HG2 GLU 30 HG2 GLU 30 4.657 -1.551 2.522 237 HG3 GLU 30 HG3 GLU 30 3.167 -2.437 2.239 238 H GLY 31 H GLY 31 4.856 -5.730 2.881 239 HA2 GLY 31 HA2 GLY 31 6.336 -7.206 3.765 240 HA3 GLY 31 HA3 GLY 31 6.612 -7.816 2.141 241 H TYR 32 H TYR 32 7.356 -4.849 4.054 242 HA TYR 32 HA TYR 32 9.428 -4.161 2.159 243 HB2 TYR 32 HB2 TYR 32 7.862 -2.461 3.220 244 HB3 TYR 32 HB3 TYR 32 8.701 -2.713 4.747 245 HD1 TYR 32 HD1 TYR 32 9.666 -2.080 1.157 246 HD2 TYR 32 HD2 TYR 32 10.258 -1.000 5.250 247 HE1 TYR 32 HE1 TYR 32 11.297 -0.382 0.472 248 HE2 TYR 32 HE2 TYR 32 11.896 0.700 4.553 249 HH TYR 32 HH TYR 32 12.196 1.787 1.421 250 H LYS 33 H LYS 33 9.383 -4.667 5.726 251 HA LYS 33 HA LYS 33 11.729 -6.293 5.718 252 HB2 LYS 33 HB2 LYS 33 12.763 -4.012 5.320 253 HB3 LYS 33 HB3 LYS 33 12.124 -3.484 6.870 254 HG2 LYS 33 HG2 LYS 33 14.453 -4.045 7.144 255 HG3 LYS 33 HG3 LYS 33 13.488 -5.255 8.000 256 HD2 LYS 33 HD2 LYS 33 13.743 -6.780 5.999 257 HD3 LYS 33 HD3 LYS 33 14.814 -5.579 5.271 258 HE2 LYS 33 HE2 LYS 33 16.123 -7.346 6.315 259 HE3 LYS 33 HE3 LYS 33 16.363 -5.838 7.199 260 HZ1 LYS 33 HZ1 LYS 33 14.531 -8.033 8.000 261 HZ2 LYS 33 HZ2 LYS 33 14.801 -6.602 8.860 262 HZ3 LYS 33 HZ3 LYS 33 16.051 -7.719 8.670 263 H ALA 34 H ALA 34 10.197 -3.884 7.906 264 HA ALA 34 HA ALA 34 9.511 -5.912 9.900 265 HB1 ALA 34 HB1 ALA 34 10.860 -4.849 11.686 266 HB2 ALA 34 HB2 ALA 34 11.552 -3.730 10.506 267 HB3 ALA 34 HB3 ALA 34 11.896 -5.456 10.391 268 H LYS 35 H LYS 35 8.647 -4.512 12.008 269 HA LYS 35 HA LYS 35 6.512 -2.907 11.020 270 HB2 LYS 35 HB2 LYS 35 5.950 -4.150 12.917 271 HB3 LYS 35 HB3 LYS 35 7.463 -3.828 13.730 272 HG2 LYS 35 HG2 LYS 35 5.569 -1.534 13.354 273 HG3 LYS 35 HG3 LYS 35 5.148 -2.769 14.541 274 HD2 LYS 35 HD2 LYS 35 7.226 -2.356 15.768 275 HD3 LYS 35 HD3 LYS 35 7.778 -1.228 14.529 276 HE2 LYS 35 HE2 LYS 35 6.911 -0.033 16.500 277 HE3 LYS 35 HE3 LYS 35 5.926 0.301 15.077 278 HZ1 LYS 35 HZ1 LYS 35 5.264 -1.655 17.201 279 HZ2 LYS 35 HZ2 LYS 35 4.311 -1.298 15.852 280 HZ3 LYS 35 HZ3 LYS 35 4.586 -0.118 17.030 281 H ALA 36 H ALA 36 9.527 -2.155 12.802 282 HA ALA 36 HA ALA 36 9.249 0.604 13.076 283 HB1 ALA 36 HB1 ALA 36 11.063 -0.686 14.143 284 HB2 ALA 36 HB2 ALA 36 11.712 0.688 13.248 285 HB3 ALA 36 HB3 ALA 36 11.820 -0.939 12.570 286 H SER 37 H SER 37 10.495 -1.294 10.367 287 HA SER 37 HA SER 37 11.134 0.845 8.600 288 HB2 SER 37 HB2 SER 37 10.463 -2.051 7.908 289 HB3 SER 37 HB3 SER 37 11.422 -0.917 6.944 290 HG SER 37 HG SER 37 13.074 -1.128 8.329 291 H ALA 38 H ALA 38 8.215 -0.955 9.353 292 HA ALA 38 HA ALA 38 6.667 -0.302 7.066 293 HB1 ALA 38 HB1 ALA 38 6.104 -2.224 8.508 294 HB2 ALA 38 HB2 ALA 38 4.739 -1.117 8.357 295 HB3 ALA 38 HB3 ALA 38 5.707 -1.123 9.832 296 H ILE 39 H ILE 39 6.664 1.095 10.434 297 HA ILE 39 HA ILE 39 5.010 3.256 10.010 298 HB ILE 39 HB ILE 39 7.357 2.891 11.913 299 HG12 ILE 39 HG12 ILE 39 5.515 3.138 13.667 300 HG13 ILE 39 HG13 ILE 39 4.344 3.196 12.355 301 HG21 ILE 39 HG21 ILE 39 7.446 5.281 11.423 302 HG22 ILE 39 HG22 ILE 39 6.822 5.040 13.054 303 HG23 ILE 39 HG23 ILE 39 5.716 5.446 11.737 304 HD11 ILE 39 HD11 ILE 39 4.421 1.023 13.396 305 HD12 ILE 39 HD12 ILE 39 6.143 0.881 13.040 306 HD13 ILE 39 HD13 ILE 39 4.967 0.920 11.722 307 H HIS 40 H HIS 40 8.572 3.141 9.525 308 HA HIS 40 HA HIS 40 8.933 5.804 8.722 309 HB2 HIS 40 HB2 HIS 40 10.559 3.288 8.285 310 HB3 HIS 40 HB3 HIS 40 11.034 4.769 7.461 311 HD1 HIS 40 HD1 HIS 40 12.603 6.196 8.721 312 HD2 HIS 40 HD2 HIS 40 10.348 3.810 11.261 313 HE1 HIS 40 HE1 HIS 40 13.471 6.662 11.029 314 HE2 HIS 40 HE2 HIS 40 11.971 5.332 12.553 315 H ALA 41 H ALA 41 8.210 2.921 6.742 316 HA ALA 41 HA ALA 41 8.114 4.091 4.233 317 HB1 ALA 41 HB1 ALA 41 7.984 1.657 4.612 318 HB2 ALA 41 HB2 ALA 41 6.627 2.212 3.628 319 HB3 ALA 41 HB3 ALA 41 6.385 1.843 5.338 320 H ILE 42 H ILE 42 5.417 3.585 6.519 321 HA ILE 42 HA ILE 42 3.430 4.983 5.157 322 HB ILE 42 HB ILE 42 3.768 4.494 8.138 323 HG12 ILE 42 HG12 ILE 42 1.962 3.031 6.158 324 HG13 ILE 42 HG13 ILE 42 3.604 2.503 6.516 325 HG21 ILE 42 HG21 ILE 42 1.262 5.417 6.675 326 HG22 ILE 42 HG22 ILE 42 2.191 6.351 7.846 327 HG23 ILE 42 HG23 ILE 42 1.324 4.907 8.366 328 HD11 ILE 42 HD11 ILE 42 1.918 1.263 7.739 329 HD12 ILE 42 HD12 ILE 42 1.396 2.745 8.541 330 HD13 ILE 42 HD13 ILE 42 3.029 2.120 8.804 331 H GLU 43 H GLU 43 6.074 6.216 7.076 332 HA GLU 43 HA GLU 43 4.998 8.783 7.642 333 HB2 GLU 43 HB2 GLU 43 7.855 7.779 7.585 334 HB3 GLU 43 HB3 GLU 43 7.454 9.452 7.977 335 HG2 GLU 43 HG2 GLU 43 6.081 8.651 9.892 336 HG3 GLU 43 HG3 GLU 43 6.548 6.993 9.518 337 H SER 44 H SER 44 6.823 7.442 4.879 338 HA SER 44 HA SER 44 7.174 9.717 3.313 339 HB2 SER 44 HB2 SER 44 6.383 6.883 2.575 340 HB3 SER 44 HB3 SER 44 6.597 8.103 1.325 341 HG SER 44 HG SER 44 8.474 6.873 2.988 342 H ILE 45 H ILE 45 4.215 7.904 3.962 343 HA ILE 45 HA ILE 45 2.693 9.117 1.885 344 HB ILE 45 HB ILE 45 1.293 7.865 4.292 345 HG12 ILE 45 HG12 ILE 45 3.221 6.308 3.542 346 HG13 ILE 45 HG13 ILE 45 1.607 5.615 3.497 347 HG21 ILE 45 HG21 ILE 45 -0.279 7.157 2.491 348 HG22 ILE 45 HG22 ILE 45 0.779 7.931 1.291 349 HG23 ILE 45 HG23 ILE 45 -0.037 8.907 2.525 350 HD11 ILE 45 HD11 ILE 45 3.160 6.648 1.140 351 HD12 ILE 45 HD12 ILE 45 1.541 5.946 1.076 352 HD13 ILE 45 HD13 ILE 45 2.910 4.962 1.580 353 H LYS 46 H LYS 46 2.919 9.525 5.416 354 HA LYS 46 HA LYS 46 1.022 11.476 5.858 355 HB2 LYS 46 HB2 LYS 46 3.627 11.378 7.431 356 HB3 LYS 46 HB3 LYS 46 2.025 11.830 7.999 357 HG2 LYS 46 HG2 LYS 46 3.108 9.058 7.443 358 HG3 LYS 46 HG3 LYS 46 2.499 9.710 8.965 359 HD2 LYS 46 HD2 LYS 46 0.856 9.036 6.488 360 HD3 LYS 46 HD3 LYS 46 0.896 8.123 8.000 361 HE2 LYS 46 HE2 LYS 46 -0.065 10.992 7.759 362 HE3 LYS 46 HE3 LYS 46 -1.099 9.585 7.730 363 HZ1 LYS 46 HZ1 LYS 46 -1.081 10.444 9.920 364 HZ2 LYS 46 HZ2 LYS 46 0.609 10.509 9.956 365 HZ3 LYS 46 HZ3 LYS 46 -0.179 9.014 9.956 366 H ARG 47 H ARG 47 4.203 11.730 4.664 367 HA ARG 47 HA ARG 47 4.835 14.417 5.099 368 HB2 ARG 47 HB2 ARG 47 5.784 12.370 3.094 369 HB3 ARG 47 HB3 ARG 47 6.323 14.033 2.940 370 HG2 ARG 47 HG2 ARG 47 6.759 12.280 5.377 371 HG3 ARG 47 HG3 ARG 47 7.964 12.649 4.134 372 HD2 ARG 47 HD2 ARG 47 6.670 14.563 6.096 373 HD3 ARG 47 HD3 ARG 47 8.378 14.131 5.975 374 HE ARG 47 HE ARG 47 8.226 15.255 3.669 375 HH11 ARG 47 HH11 ARG 47 6.428 16.380 6.479 376 HH12 ARG 47 HH12 ARG 47 6.214 17.979 5.851 377 HH21 ARG 47 HH21 ARG 47 7.912 17.363 2.866 378 HH22 ARG 47 HH22 ARG 47 7.039 18.529 3.810 379 H ASN 48 H ASN 48 3.763 13.094 1.913 380 HA ASN 48 HA ASN 48 2.204 15.470 1.289 381 HB2 ASN 48 HB2 ASN 48 4.642 16.186 0.956 382 HB3 ASN 48 HB3 ASN 48 4.727 15.034 -0.371 383 HD21 ASN 48 HD21 ASN 48 5.118 16.614 -1.903 384 HD22 ASN 48 HD22 ASN 48 3.918 17.744 -2.419 385 H SER 49 H SER 49 2.063 12.393 1.191 386 HA SER 49 HA SER 49 2.174 11.574 -1.540 387 HB2 SER 49 HB2 SER 49 2.400 10.058 0.424 388 HB3 SER 49 HB3 SER 49 0.672 10.221 0.717 389 HG SER 49 HG SER 49 1.912 8.568 -0.933 390 H ALA 50 H ALA 50 -0.516 12.678 0.503 391 HA ALA 50 HA ALA 50 -2.628 12.310 -1.271 392 HB1 ALA 50 HB1 ALA 50 -3.792 14.047 0.021 393 HB2 ALA 50 HB2 ALA 50 -2.259 14.553 0.741 394 HB3 ALA 50 HB3 ALA 50 -2.909 12.946 1.080 395 H GLY 51 H GLY 51 -0.148 14.802 -1.212 396 HA2 GLY 51 HA2 GLY 51 -1.294 16.216 -3.537 397 HA3 GLY 51 HA3 GLY 51 0.024 16.770 -2.519 398 H ALA 52 H ALA 52 0.796 13.634 -3.064 399 HA ALA 52 HA ALA 52 2.880 14.078 -4.917 400 HB1 ALA 52 HB1 ALA 52 1.584 11.441 -4.098 401 HB2 ALA 52 HB2 ALA 52 2.925 12.238 -3.271 402 HB3 ALA 52 HB3 ALA 52 3.151 11.612 -4.905 403 H ASP 53 H ASP 53 3.143 12.899 -7.031 404 HA ASP 53 HA ASP 53 0.766 13.215 -8.724 405 HB2 ASP 53 HB2 ASP 53 3.628 12.499 -9.509 406 HB3 ASP 53 HB3 ASP 53 2.327 12.895 -10.628 407 H THR 54 H THR 54 0.086 11.496 -10.190 408 HA THR 54 HA THR 54 0.818 8.748 -9.321 409 HB THR 54 HB THR 54 -1.854 9.735 -10.403 410 HG1 THR 54 HG1 THR 54 -0.890 9.182 -7.780 411 HG21 THR 54 HG21 THR 54 -1.489 7.346 -10.935 412 HG22 THR 54 HG22 THR 54 -2.717 7.521 -9.674 413 HG23 THR 54 HG23 THR 54 -1.076 7.027 -9.248 414 H VAL 55 H VAL 55 2.273 8.149 -10.745 415 HA VAL 55 HA VAL 55 2.081 8.735 -13.635 416 HB VAL 55 HB VAL 55 4.433 7.768 -11.932 417 HG11 VAL 55 HG11 VAL 55 5.859 8.179 -13.910 418 HG12 VAL 55 HG12 VAL 55 4.421 8.529 -14.874 419 HG13 VAL 55 HG13 VAL 55 4.668 6.913 -14.210 420 HG21 VAL 55 HG21 VAL 55 3.806 10.097 -11.449 421 HG22 VAL 55 HG22 VAL 55 3.931 10.506 -13.163 422 HG23 VAL 55 HG23 VAL 55 5.369 10.021 -12.258 423 H ASP 56 H ASP 56 1.525 7.124 -14.986 424 HA ASP 56 HA ASP 56 1.626 4.305 -14.095 425 HB2 ASP 56 HB2 ASP 56 -0.625 5.251 -14.725 426 HB3 ASP 56 HB3 ASP 56 -0.032 5.493 -16.366 427 H LEU 57 H LEU 57 3.198 3.152 -14.907 428 HA LEU 57 HA LEU 57 4.562 3.768 -17.419 429 HB2 LEU 57 HB2 LEU 57 5.318 1.693 -15.322 430 HB3 LEU 57 HB3 LEU 57 6.307 2.229 -16.665 431 HG LEU 57 HG LEU 57 7.251 3.231 -14.734 432 HD11 LEU 57 HD11 LEU 57 5.574 5.383 -16.030 433 HD12 LEU 57 HD12 LEU 57 7.140 4.787 -16.584 434 HD13 LEU 57 HD13 LEU 57 7.020 5.639 -15.044 435 HD21 LEU 57 HD21 LEU 57 5.433 2.880 -13.151 436 HD22 LEU 57 HD22 LEU 57 4.515 4.202 -13.875 437 HD23 LEU 57 HD23 LEU 57 6.044 4.530 -13.052 438 H THR 58 H THR 58 2.036 1.616 -16.460 439 HA THR 58 HA THR 58 3.020 -0.670 -18.044 440 HB THR 58 HB THR 58 2.183 -1.215 -15.835 441 HG1 THR 58 HG1 THR 58 1.113 -2.325 -18.089 442 HG21 THR 58 HG21 THR 58 -0.532 -0.198 -16.700 443 HG22 THR 58 HG22 THR 58 0.520 0.558 -15.499 444 HG23 THR 58 HG23 THR 58 -0.163 -1.039 -15.189 445 H THR 59 H THR 59 1.017 2.031 -18.670 446 HA THR 59 HA THR 59 -0.956 0.730 -20.306 447 HB THR 59 HB THR 59 -1.254 3.176 -21.249 448 HG1 THR 59 HG1 THR 59 0.160 3.823 -18.865 449 HG21 THR 59 HG21 THR 59 -2.836 2.152 -19.636 450 HG22 THR 59 HG22 THR 59 -2.575 3.863 -19.287 451 HG23 THR 59 HG23 THR 59 -1.784 2.631 -18.302 452 H MET 60 H MET 60 2.340 1.448 -20.837 453 HA MET 60 HA MET 60 2.313 1.575 -23.720 454 HB2 MET 60 HB2 MET 60 4.752 1.304 -23.589 455 HB3 MET 60 HB3 MET 60 4.218 2.487 -22.405 456 HG2 MET 60 HG2 MET 60 4.466 0.871 -20.617 457 HG3 MET 60 HG3 MET 60 4.853 -0.398 -21.772 458 HE1 MET 60 HE1 MET 60 6.148 2.921 -20.029 459 HE2 MET 60 HE2 MET 60 6.117 3.365 -21.738 460 HE3 MET 60 HE3 MET 60 7.659 3.180 -20.906 461 H THR 61 H THR 61 2.333 -0.994 -21.349 462 HA THR 61 HA THR 61 3.080 -3.076 -23.295 463 HB THR 61 HB THR 61 3.165 -4.567 -21.232 464 HG1 THR 61 HG1 THR 61 2.295 -3.778 -19.489 465 HG21 THR 61 HG21 THR 61 4.933 -2.095 -21.096 466 HG22 THR 61 HG22 THR 61 5.237 -3.515 -22.095 467 HG23 THR 61 HG23 THR 61 5.269 -3.654 -20.337 468 H ALA 62 H ALA 62 0.598 -2.467 -20.817 469 HA ALA 62 HA ALA 62 -1.537 -3.489 -22.471 470 HB1 ALA 62 HB1 ALA 62 -0.877 -4.908 -19.860 471 HB2 ALA 62 HB2 ALA 62 -0.640 -5.574 -21.478 472 HB3 ALA 62 HB3 ALA 62 -2.269 -5.222 -20.901 473 H MET 1 H MET 1 8.000 15.553 -7.182 474 HA MET 1 HA MET 1 10.292 15.854 -5.336 475 HB2 MET 1 HB2 MET 1 8.244 17.162 -4.687 476 HB3 MET 1 HB3 MET 1 7.299 15.678 -4.733 477 HG2 MET 1 HG2 MET 1 8.695 14.772 -2.889 478 HG3 MET 1 HG3 MET 1 9.578 16.295 -2.829 479 HE1 MET 1 HE1 MET 1 8.398 18.648 -2.163 480 HE2 MET 1 HE2 MET 1 6.718 18.777 -1.650 481 HE3 MET 1 HE3 MET 1 7.098 18.406 -3.332 482 H TYR 2 H TYR 2 7.308 13.931 -5.403 483 HA TYR 2 HA TYR 2 8.569 11.504 -6.268 484 HB2 TYR 2 HB2 TYR 2 7.782 10.206 -4.161 485 HB3 TYR 2 HB3 TYR 2 9.297 11.090 -4.088 486 HD1 TYR 2 HD1 TYR 2 5.691 12.139 -3.504 487 HD2 TYR 2 HD2 TYR 2 9.646 11.823 -1.932 488 HE1 TYR 2 HE1 TYR 2 4.950 13.197 -1.419 489 HE2 TYR 2 HE2 TYR 2 8.914 12.877 0.135 490 HH TYR 2 HH TYR 2 7.136 14.301 0.944 491 H LYS 3 H LYS 3 6.832 9.649 -6.001 492 HA LYS 3 HA LYS 3 4.155 10.408 -6.475 493 HB2 LYS 3 HB2 LYS 3 4.258 9.866 -9.051 494 HB3 LYS 3 HB3 LYS 3 4.647 11.473 -8.476 495 HG2 LYS 3 HG2 LYS 3 6.151 10.845 -10.245 496 HG3 LYS 3 HG3 LYS 3 7.043 11.015 -8.736 497 HD2 LYS 3 HD2 LYS 3 7.240 8.595 -8.515 498 HD3 LYS 3 HD3 LYS 3 6.166 8.342 -9.901 499 HE2 LYS 3 HE2 LYS 3 7.779 9.251 -11.418 500 HE3 LYS 3 HE3 LYS 3 8.800 9.835 -10.107 501 HZ1 LYS 3 HZ1 LYS 3 9.821 7.947 -10.935 502 HZ2 LYS 3 HZ2 LYS 3 8.381 7.073 -11.023 503 HZ3 LYS 3 HZ3 LYS 3 9.066 7.428 -9.516 504 H PHE 4 H PHE 4 3.079 8.651 -7.947 505 HA PHE 4 HA PHE 4 3.753 6.035 -6.778 506 HB2 PHE 4 HB2 PHE 4 1.188 7.105 -8.042 507 HB3 PHE 4 HB3 PHE 4 1.401 5.433 -7.534 508 HD1 PHE 4 HD1 PHE 4 0.993 8.937 -6.334 509 HD2 PHE 4 HD2 PHE 4 1.409 4.821 -5.190 510 HE1 PHE 4 HE1 PHE 4 0.307 9.490 -4.048 511 HE2 PHE 4 HE2 PHE 4 0.704 5.395 -2.910 512 HZ PHE 4 HZ PHE 4 0.160 7.722 -2.345 513 H GLU 5 H GLU 5 4.784 4.669 -8.066 514 HA GLU 5 HA GLU 5 4.666 4.937 -11.001 515 HB2 GLU 5 HB2 GLU 5 6.476 3.265 -9.215 516 HB3 GLU 5 HB3 GLU 5 6.473 3.162 -10.970 517 HG2 GLU 5 HG2 GLU 5 7.170 5.498 -11.128 518 HG3 GLU 5 HG3 GLU 5 7.147 5.631 -9.363 519 H ILE 6 H ILE 6 3.015 3.843 -11.921 520 HA ILE 6 HA ILE 6 1.882 1.434 -10.646 521 HB ILE 6 HB ILE 6 0.707 3.019 -12.975 522 HG12 ILE 6 HG12 ILE 6 -0.115 3.324 -10.053 523 HG13 ILE 6 HG13 ILE 6 0.976 4.437 -10.871 524 HG21 ILE 6 HG21 ILE 6 -1.397 1.853 -12.389 525 HG22 ILE 6 HG22 ILE 6 -0.587 1.024 -11.059 526 HG23 ILE 6 HG23 ILE 6 -0.108 0.687 -12.727 527 HD11 ILE 6 HD11 ILE 6 -0.783 5.000 -12.459 528 HD12 ILE 6 HD12 ILE 6 -1.289 5.285 -10.795 529 HD13 ILE 6 HD13 ILE 6 -1.871 3.867 -11.656 530 H TYR 7 H TYR 7 2.451 -0.415 -11.559 531 HA TYR 7 HA TYR 7 2.915 -0.589 -14.436 532 HB2 TYR 7 HB2 TYR 7 5.046 -1.878 -14.048 533 HB3 TYR 7 HB3 TYR 7 5.158 -0.173 -13.628 534 HD1 TYR 7 HD1 TYR 7 5.059 -3.622 -12.215 535 HD2 TYR 7 HD2 TYR 7 5.443 0.544 -11.291 536 HE1 TYR 7 HE1 TYR 7 5.771 -4.179 -9.926 537 HE2 TYR 7 HE2 TYR 7 6.145 -0.030 -9.009 538 HH TYR 7 HH TYR 7 6.869 -3.285 -8.051 539 H GLN 8 H GLN 8 3.360 -3.020 -14.932 540 HA GLN 8 HA GLN 8 1.924 -4.795 -13.052 541 HB2 GLN 8 HB2 GLN 8 0.935 -6.052 -14.768 542 HB3 GLN 8 HB3 GLN 8 0.793 -4.408 -15.374 543 HG2 GLN 8 HG2 GLN 8 2.930 -4.907 -16.706 544 HG3 GLN 8 HG3 GLN 8 2.671 -6.586 -16.281 545 HE21 GLN 8 HE21 GLN 8 0.817 -7.648 -17.091 546 HE22 GLN 8 HE22 GLN 8 -0.024 -7.078 -18.478 547 H ASP 9 H ASP 9 2.818 -6.815 -12.772 548 HA ASP 9 HA ASP 9 5.703 -7.023 -13.027 549 HB2 ASP 9 HB2 ASP 9 4.561 -7.553 -10.906 550 HB3 ASP 9 HB3 ASP 9 3.569 -8.760 -11.714 551 H LYS 10 H LYS 10 6.648 -9.095 -13.903 552 HA LYS 10 HA LYS 10 5.931 -9.599 -16.533 553 HB2 LYS 10 HB2 LYS 10 7.587 -11.344 -16.621 554 HB3 LYS 10 HB3 LYS 10 8.206 -10.049 -15.612 555 HG2 LYS 10 HG2 LYS 10 6.976 -12.565 -14.459 556 HG3 LYS 10 HG3 LYS 10 8.687 -12.458 -14.878 557 HD2 LYS 10 HD2 LYS 10 7.247 -10.671 -12.889 558 HD3 LYS 10 HD3 LYS 10 8.256 -12.049 -12.463 559 HE2 LYS 10 HE2 LYS 10 10.228 -10.920 -13.346 560 HE3 LYS 10 HE3 LYS 10 9.240 -9.588 -13.950 561 HZ1 LYS 10 HZ1 LYS 10 10.298 -9.004 -11.877 562 HZ2 LYS 10 HZ2 LYS 10 9.597 -10.325 -11.096 563 HZ3 LYS 10 HZ3 LYS 10 8.622 -9.071 -11.665 564 H ALA 11 H ALA 11 4.977 -11.320 -13.651 565 HA ALA 11 HA ALA 11 3.486 -13.447 -14.842 566 HB1 ALA 11 HB1 ALA 11 2.512 -13.730 -12.601 567 HB2 ALA 11 HB2 ALA 11 3.142 -12.153 -12.117 568 HB3 ALA 11 HB3 ALA 11 4.254 -13.469 -12.501 569 H GLY 12 H GLY 12 2.893 -10.339 -15.413 570 HA2 GLY 12 HA2 GLY 12 1.205 -9.110 -16.256 571 HA3 GLY 12 HA3 GLY 12 0.174 -10.514 -16.174 572 H GLU 13 H GLU 13 1.814 -9.406 -13.294 573 HA GLU 13 HA GLU 13 -0.880 -9.046 -12.089 574 HB2 GLU 13 HB2 GLU 13 0.604 -10.802 -11.076 575 HB3 GLU 13 HB3 GLU 13 1.757 -9.541 -10.634 576 HG2 GLU 13 HG2 GLU 13 0.137 -8.483 -9.167 577 HG3 GLU 13 HG3 GLU 13 -1.137 -9.581 -9.692 578 H TYR 14 H TYR 14 -1.346 -6.949 -12.509 579 HA TYR 14 HA TYR 14 0.209 -4.724 -12.400 580 HB2 TYR 14 HB2 TYR 14 -2.743 -4.981 -11.715 581 HB3 TYR 14 HB3 TYR 14 -1.921 -3.431 -11.906 582 HD1 TYR 14 HD1 TYR 14 -3.036 -6.486 -13.713 583 HD2 TYR 14 HD2 TYR 14 -1.273 -2.614 -14.115 584 HE1 TYR 14 HE1 TYR 14 -3.346 -6.591 -16.146 585 HE2 TYR 14 HE2 TYR 14 -1.579 -2.732 -16.550 586 HH TYR 14 HH TYR 14 -1.919 -4.289 -18.291 587 H ARG 15 H ARG 15 1.373 -3.884 -11.023 588 HA ARG 15 HA ARG 15 0.807 -3.792 -8.138 589 HB2 ARG 15 HB2 ARG 15 3.469 -4.531 -9.434 590 HB3 ARG 15 HB3 ARG 15 3.291 -4.148 -7.721 591 HG2 ARG 15 HG2 ARG 15 2.007 -6.095 -7.295 592 HG3 ARG 15 HG3 ARG 15 1.667 -6.358 -9.005 593 HD2 ARG 15 HD2 ARG 15 3.996 -6.939 -9.407 594 HD3 ARG 15 HD3 ARG 15 4.386 -6.622 -7.716 595 HE ARG 15 HE ARG 15 2.309 -8.540 -7.891 596 HH11 ARG 15 HH11 ARG 15 5.777 -8.354 -8.455 597 HH12 ARG 15 HH12 ARG 15 6.026 -10.043 -8.169 598 HH21 ARG 15 HH21 ARG 15 2.663 -10.758 -7.557 599 HH22 ARG 15 HH22 ARG 15 4.274 -11.402 -7.672 600 H PHE 16 H PHE 16 1.020 -1.754 -7.314 601 HA PHE 16 HA PHE 16 2.727 0.171 -8.765 602 HB2 PHE 16 HB2 PHE 16 1.333 2.015 -8.009 603 HB3 PHE 16 HB3 PHE 16 0.364 0.871 -8.912 604 HD1 PHE 16 HD1 PHE 16 1.084 2.135 -5.462 605 HD2 PHE 16 HD2 PHE 16 -1.596 -0.097 -7.933 606 HE1 PHE 16 HE1 PHE 16 -0.610 2.180 -3.680 607 HE2 PHE 16 HE2 PHE 16 -3.284 -0.032 -6.150 608 HZ PHE 16 HZ PHE 16 -2.798 1.106 -4.023 609 H ARG 17 H ARG 17 3.637 1.826 -7.423 610 HA ARG 17 HA ARG 17 4.104 1.154 -4.597 611 HB2 ARG 17 HB2 ARG 17 6.534 1.393 -4.852 612 HB3 ARG 17 HB3 ARG 17 5.936 0.082 -5.859 613 HG2 ARG 17 HG2 ARG 17 6.126 1.495 -7.854 614 HG3 ARG 17 HG3 ARG 17 6.661 2.854 -6.854 615 HD2 ARG 17 HD2 ARG 17 8.565 1.705 -7.943 616 HD3 ARG 17 HD3 ARG 17 8.666 1.621 -6.182 617 HE ARG 17 HE ARG 17 7.419 -0.658 -7.500 618 HH11 ARG 17 HH11 ARG 17 10.422 0.624 -6.182 619 HH12 ARG 17 HH12 ARG 17 11.143 -0.943 -6.020 620 HH21 ARG 17 HH21 ARG 17 8.406 -2.689 -7.277 621 HH22 ARG 17 HH22 ARG 17 10.009 -2.810 -6.631 622 H PHE 18 H PHE 18 5.384 2.931 -3.523 623 HA PHE 18 HA PHE 18 4.909 5.607 -4.714 624 HB2 PHE 18 HB2 PHE 18 3.303 5.235 -2.838 625 HB3 PHE 18 HB3 PHE 18 4.644 4.854 -1.768 626 HD1 PHE 18 HD1 PHE 18 4.288 7.653 -4.249 627 HD2 PHE 18 HD2 PHE 18 4.564 6.528 -0.137 628 HE1 PHE 18 HE1 PHE 18 4.383 10.017 -3.601 629 HE2 PHE 18 HE2 PHE 18 4.619 8.889 0.517 630 HZ PHE 18 HZ PHE 18 4.572 10.638 -1.224 631 H LYS 19 H LYS 19 6.594 6.929 -4.634 632 HA LYS 19 HA LYS 19 9.201 5.745 -3.917 633 HB2 LYS 19 HB2 LYS 19 8.451 8.005 -5.850 634 HB3 LYS 19 HB3 LYS 19 10.077 7.349 -5.608 635 HG2 LYS 19 HG2 LYS 19 7.684 5.775 -6.650 636 HG3 LYS 19 HG3 LYS 19 9.002 6.419 -7.638 637 HD2 LYS 19 HD2 LYS 19 9.444 4.452 -5.350 638 HD3 LYS 19 HD3 LYS 19 9.194 3.945 -7.018 639 HE2 LYS 19 HE2 LYS 19 11.403 5.877 -6.254 640 HE3 LYS 19 HE3 LYS 19 11.616 4.132 -6.203 641 HZ1 LYS 19 HZ1 LYS 19 12.374 5.038 -8.298 642 HZ2 LYS 19 HZ2 LYS 19 10.857 5.715 -8.596 643 HZ3 LYS 19 HZ3 LYS 19 11.034 4.033 -8.556 644 H ALA 20 H ALA 20 10.835 7.646 -3.705 645 HA ALA 20 HA ALA 20 9.987 9.696 -1.771 646 HB1 ALA 20 HB1 ALA 20 12.017 9.215 -0.431 647 HB2 ALA 20 HB2 ALA 20 12.412 7.864 -1.499 648 HB3 ALA 20 HB3 ALA 20 10.958 7.802 -0.503 649 H SER 21 H SER 21 11.382 11.550 -1.799 650 HA SER 21 HA SER 21 11.935 12.648 -4.174 651 HB2 SER 21 HB2 SER 21 13.352 13.343 -1.587 652 HB3 SER 21 HB3 SER 21 13.155 14.415 -2.978 653 HG SER 21 HG SER 21 11.102 13.301 -1.369 654 H ASN 22 H ASN 22 14.191 10.499 -2.580 655 HA ASN 22 HA ASN 22 16.407 11.229 -4.381 656 HB2 ASN 22 HB2 ASN 22 17.857 9.920 -2.893 657 HB3 ASN 22 HB3 ASN 22 17.008 11.207 -2.045 658 HD21 ASN 22 HD21 ASN 22 18.231 8.776 -1.040 659 HD22 ASN 22 HD22 ASN 22 16.982 7.955 -0.195 660 H GLY 23 H GLY 23 13.916 9.438 -4.899 661 HA2 GLY 23 HA2 GLY 23 13.487 7.832 -6.492 662 HA3 GLY 23 HA3 GLY 23 15.210 7.590 -6.696 663 H GLU 24 H GLU 24 14.099 7.342 -3.467 664 HA GLU 24 HA GLU 24 14.474 4.438 -3.399 665 HB2 GLU 24 HB2 GLU 24 13.811 6.432 -1.191 666 HB3 GLU 24 HB3 GLU 24 14.033 4.702 -0.922 667 HG2 GLU 24 HG2 GLU 24 16.121 6.645 -1.945 668 HG3 GLU 24 HG3 GLU 24 16.036 5.958 -0.326 669 H THR 25 H THR 25 12.860 2.929 -2.758 670 HA THR 25 HA THR 25 10.037 3.831 -2.903 671 HB THR 25 HB THR 25 11.155 1.030 -3.293 672 HG1 THR 25 HG1 THR 25 11.618 2.598 -4.971 673 HG21 THR 25 HG21 THR 25 8.838 0.955 -2.459 674 HG22 THR 25 HG22 THR 25 8.921 0.437 -4.145 675 HG23 THR 25 HG23 THR 25 8.343 2.056 -3.747 676 H MET 26 H MET 26 8.619 3.122 -1.349 677 HA MET 26 HA MET 26 9.767 2.150 1.215 678 HB2 MET 26 HB2 MET 26 8.021 3.736 2.283 679 HB3 MET 26 HB3 MET 26 9.485 4.431 1.611 680 HG2 MET 26 HG2 MET 26 7.598 5.813 1.042 681 HG3 MET 26 HG3 MET 26 8.244 5.080 -0.425 682 HE1 MET 26 HE1 MET 26 5.449 5.016 2.262 683 HE2 MET 26 HE2 MET 26 5.973 3.330 2.291 684 HE3 MET 26 HE3 MET 26 4.377 3.749 1.672 685 H PHE 27 H PHE 27 6.835 2.179 -0.848 686 HA PHE 27 HA PHE 27 6.365 -0.536 0.145 687 HB2 PHE 27 HB2 PHE 27 4.114 -0.347 0.726 688 HB3 PHE 27 HB3 PHE 27 4.679 1.228 1.241 689 HD1 PHE 27 HD1 PHE 27 2.624 -0.602 -1.266 690 HD2 PHE 27 HD2 PHE 27 3.900 3.224 0.104 691 HE1 PHE 27 HE1 PHE 27 0.902 0.511 -2.647 692 HE2 PHE 27 HE2 PHE 27 2.203 4.327 -1.195 693 HZ PHE 27 HZ PHE 27 0.664 2.977 -2.603 694 H SER 28 H SER 28 5.227 -1.825 -1.256 695 HA SER 28 HA SER 28 4.533 -0.993 -3.960 696 HB2 SER 28 HB2 SER 28 6.073 -2.655 -5.059 697 HB3 SER 28 HB3 SER 28 6.956 -1.369 -4.234 698 HG SER 28 HG SER 28 7.060 -2.898 -2.415 699 H SER 29 H SER 29 3.550 -2.902 -5.225 700 HA SER 29 HA SER 29 2.957 -4.995 -5.667 701 HB2 SER 29 HB2 SER 29 5.314 -5.418 -4.921 702 HB3 SER 29 HB3 SER 29 4.707 -5.792 -3.310 703 HG SER 29 HG SER 29 3.334 -7.380 -4.600 704 H GLU 30 H GLU 30 1.064 -3.644 -4.317 705 HA GLU 30 HA GLU 30 -0.196 -5.195 -2.297 706 HB2 GLU 30 HB2 GLU 30 -2.357 -3.923 -3.336 707 HB3 GLU 30 HB3 GLU 30 -1.226 -3.154 -2.243 708 HG2 GLU 30 HG2 GLU 30 -1.891 -1.718 -4.139 709 HG3 GLU 30 HG3 GLU 30 -0.156 -1.972 -4.024 710 H GLY 31 H GLY 31 -0.457 -5.254 -5.882 711 HA2 GLY 31 HA2 GLY 31 -1.285 -6.812 -7.305 712 HA3 GLY 31 HA3 GLY 31 -1.200 -7.983 -5.994 713 H TYR 32 H TYR 32 -3.173 -5.068 -6.865 714 HA TYR 32 HA TYR 32 -5.227 -5.909 -4.996 715 HB2 TYR 32 HB2 TYR 32 -4.512 -3.495 -5.310 716 HB3 TYR 32 HB3 TYR 32 -5.250 -3.521 -6.907 717 HD1 TYR 32 HD1 TYR 32 -6.242 -4.471 -3.384 718 HD2 TYR 32 HD2 TYR 32 -7.368 -2.472 -6.994 719 HE1 TYR 32 HE1 TYR 32 -8.359 -3.788 -2.346 720 HE2 TYR 32 HE2 TYR 32 -9.487 -1.792 -5.947 721 HH TYR 32 HH TYR 32 -10.073 -2.063 -2.602 722 H LYS 33 H LYS 33 -5.224 -5.144 -8.519 723 HA LYS 33 HA LYS 33 -6.754 -7.448 -9.234 724 HB2 LYS 33 HB2 LYS 33 -8.608 -6.149 -8.219 725 HB3 LYS 33 HB3 LYS 33 -8.243 -4.779 -9.256 726 HG2 LYS 33 HG2 LYS 33 -10.197 -5.936 -10.109 727 HG3 LYS 33 HG3 LYS 33 -8.870 -6.129 -11.252 728 HD2 LYS 33 HD2 LYS 33 -10.062 -8.244 -11.029 729 HD3 LYS 33 HD3 LYS 33 -8.450 -8.412 -10.334 730 HE2 LYS 33 HE2 LYS 33 -9.447 -8.055 -8.060 731 HE3 LYS 33 HE3 LYS 33 -11.049 -8.033 -8.803 732 HZ1 LYS 33 HZ1 LYS 33 -10.686 -10.299 -9.551 733 HZ2 LYS 33 HZ2 LYS 33 -10.489 -10.200 -7.876 734 HZ3 LYS 33 HZ3 LYS 33 -9.135 -10.306 -8.879 735 H ALA 34 H ALA 34 -6.405 -4.063 -10.359 736 HA ALA 34 HA ALA 34 -5.138 -4.865 -12.870 737 HB1 ALA 34 HB1 ALA 34 -7.902 -3.579 -12.854 738 HB2 ALA 34 HB2 ALA 34 -7.549 -5.243 -13.324 739 HB3 ALA 34 HB3 ALA 34 -6.915 -3.904 -14.283 740 H LYS 35 H LYS 35 -5.025 -2.618 -14.332 741 HA LYS 35 HA LYS 35 -3.651 -0.759 -12.665 742 HB2 LYS 35 HB2 LYS 35 -3.337 0.582 -14.729 743 HB3 LYS 35 HB3 LYS 35 -2.831 -1.091 -14.905 744 HG2 LYS 35 HG2 LYS 35 -4.786 -1.620 -16.224 745 HG3 LYS 35 HG3 LYS 35 -5.478 -0.019 -15.928 746 HD2 LYS 35 HD2 LYS 35 -3.717 1.052 -17.196 747 HD3 LYS 35 HD3 LYS 35 -2.834 -0.472 -17.361 748 HE2 LYS 35 HE2 LYS 35 -5.565 0.115 -18.553 749 HE3 LYS 35 HE3 LYS 35 -4.039 0.140 -19.438 750 HZ1 LYS 35 HZ1 LYS 35 -5.197 -1.938 -19.772 751 HZ2 LYS 35 HZ2 LYS 35 -5.230 -2.239 -18.108 752 HZ3 LYS 35 HZ3 LYS 35 -3.753 -2.207 -18.932 753 H ALA 36 H ALA 36 -6.820 -0.672 -14.349 754 HA ALA 36 HA ALA 36 -7.636 1.901 -13.655 755 HB1 ALA 36 HB1 ALA 36 -8.915 0.486 -15.212 756 HB2 ALA 36 HB2 ALA 36 -9.959 1.103 -13.934 757 HB3 ALA 36 HB3 ALA 36 -9.399 -0.571 -13.882 758 H SER 37 H SER 37 -7.870 -1.127 -11.838 759 HA SER 37 HA SER 37 -9.165 -0.126 -9.513 760 HB2 SER 37 HB2 SER 37 -7.359 -2.571 -9.719 761 HB3 SER 37 HB3 SER 37 -8.667 -2.294 -8.566 762 HG SER 37 HG SER 37 -9.666 -2.067 -11.021 763 H ALA 38 H ALA 38 -5.839 -0.285 -10.606 764 HA ALA 38 HA ALA 38 -4.511 0.104 -8.136 765 HB1 ALA 38 HB1 ALA 38 -3.523 0.695 -10.956 766 HB2 ALA 38 HB2 ALA 38 -3.343 -0.832 -10.089 767 HB3 ALA 38 HB3 ALA 38 -2.517 0.613 -9.505 768 H ILE 39 H ILE 39 -5.290 2.435 -10.823 769 HA ILE 39 HA ILE 39 -4.575 4.789 -9.579 770 HB ILE 39 HB ILE 39 -6.721 4.208 -11.656 771 HG12 ILE 39 HG12 ILE 39 -5.204 5.777 -13.047 772 HG13 ILE 39 HG13 ILE 39 -4.054 5.701 -11.718 773 HG21 ILE 39 HG21 ILE 39 -6.195 6.967 -10.496 774 HG22 ILE 39 HG22 ILE 39 -7.701 6.052 -10.403 775 HG23 ILE 39 HG23 ILE 39 -7.130 6.648 -11.961 776 HD11 ILE 39 HD11 ILE 39 -3.452 4.208 -13.514 777 HD12 ILE 39 HD12 ILE 39 -5.002 3.379 -13.386 778 HD13 ILE 39 HD13 ILE 39 -3.840 3.291 -12.057 779 H HIS 40 H HIS 40 -7.774 3.147 -9.412 780 HA HIS 40 HA HIS 40 -9.094 5.035 -7.807 781 HB2 HIS 40 HB2 HIS 40 -9.581 2.052 -8.151 782 HB3 HIS 40 HB3 HIS 40 -10.633 3.068 -7.171 783 HD1 HIS 40 HD1 HIS 40 -11.087 5.481 -8.869 784 HD2 HIS 40 HD2 HIS 40 -10.916 1.667 -10.496 785 HE1 HIS 40 HE1 HIS 40 -12.356 5.615 -11.022 786 HE2 HIS 40 HE2 HIS 40 -12.404 3.255 -11.892 787 H ALA 41 H ALA 41 -7.172 2.164 -6.854 788 HA ALA 41 HA ALA 41 -7.367 2.368 -4.101 789 HB1 ALA 41 HB1 ALA 41 -5.223 1.133 -4.047 790 HB2 ALA 41 HB2 ALA 41 -4.977 1.478 -5.764 791 HB3 ALA 41 HB3 ALA 41 -6.321 0.456 -5.254 792 H ILE 42 H ILE 42 -4.836 3.738 -6.219 793 HA ILE 42 HA ILE 42 -3.459 5.258 -4.335 794 HB ILE 42 HB ILE 42 -3.800 5.690 -7.330 795 HG12 ILE 42 HG12 ILE 42 -1.434 4.464 -5.827 796 HG13 ILE 42 HG13 ILE 42 -2.769 3.504 -6.462 797 HG21 ILE 42 HG21 ILE 42 -1.739 6.970 -5.484 798 HG22 ILE 42 HG22 ILE 42 -3.039 7.802 -6.336 799 HG23 ILE 42 HG23 ILE 42 -1.728 7.063 -7.251 800 HD11 ILE 42 HD11 ILE 42 -0.823 3.491 -7.906 801 HD12 ILE 42 HD12 ILE 42 -0.955 5.238 -8.119 802 HD13 ILE 42 HD13 ILE 42 -2.243 4.171 -8.699 803 H GLU 43 H GLU 43 -6.504 5.929 -5.913 804 HA GLU 43 HA GLU 43 -6.542 8.740 -5.518 805 HB2 GLU 43 HB2 GLU 43 -8.760 6.750 -6.044 806 HB3 GLU 43 HB3 GLU 43 -9.097 8.457 -5.769 807 HG2 GLU 43 HG2 GLU 43 -7.622 9.023 -7.709 808 HG3 GLU 43 HG3 GLU 43 -7.411 7.298 -8.011 809 H SER 44 H SER 44 -7.515 5.966 -3.491 810 HA SER 44 HA SER 44 -8.622 7.255 -1.281 811 HB2 SER 44 HB2 SER 44 -6.694 4.917 -1.461 812 HB3 SER 44 HB3 SER 44 -7.385 5.414 0.080 813 HG SER 44 HG SER 44 -8.886 4.731 -2.251 814 H ILE 45 H ILE 45 -5.241 7.058 -2.289 815 HA ILE 45 HA ILE 45 -4.174 8.007 0.174 816 HB ILE 45 HB ILE 45 -2.557 8.275 -2.400 817 HG12 ILE 45 HG12 ILE 45 -3.683 5.948 -2.367 818 HG13 ILE 45 HG13 ILE 45 -1.925 5.953 -2.431 819 HG21 ILE 45 HG21 ILE 45 -1.923 7.508 0.473 820 HG22 ILE 45 HG22 ILE 45 -1.625 9.081 -0.291 821 HG23 ILE 45 HG23 ILE 45 -0.725 7.659 -0.830 822 HD11 ILE 45 HD11 ILE 45 -2.752 4.242 -0.948 823 HD12 ILE 45 HD12 ILE 45 -3.617 5.441 0.007 824 HD13 ILE 45 HD13 ILE 45 -1.852 5.445 -0.031 825 H LYS 46 H LYS 46 -4.802 9.444 -3.017 826 HA LYS 46 HA LYS 46 -3.810 12.001 -2.634 827 HB2 LYS 46 HB2 LYS 46 -6.267 11.553 -4.366 828 HB3 LYS 46 HB3 LYS 46 -4.905 12.632 -4.632 829 HG2 LYS 46 HG2 LYS 46 -5.077 9.653 -5.102 830 HG3 LYS 46 HG3 LYS 46 -4.699 10.930 -6.260 831 HD2 LYS 46 HD2 LYS 46 -2.901 10.000 -3.977 832 HD3 LYS 46 HD3 LYS 46 -2.727 9.549 -5.674 833 HE2 LYS 46 HE2 LYS 46 -2.536 12.386 -4.650 834 HE3 LYS 46 HE3 LYS 46 -1.177 11.326 -4.909 835 HZ1 LYS 46 HZ1 LYS 46 -1.631 12.848 -6.778 836 HZ2 LYS 46 HZ2 LYS 46 -3.119 12.078 -7.011 837 HZ3 LYS 46 HZ3 LYS 46 -1.680 11.221 -7.228 838 H ARG 47 H ARG 47 -6.759 10.592 -1.665 839 HA ARG 47 HA ARG 47 -8.430 12.799 -1.227 840 HB2 ARG 47 HB2 ARG 47 -8.365 10.103 0.173 841 HB3 ARG 47 HB3 ARG 47 -9.633 11.293 0.439 842 HG2 ARG 47 HG2 ARG 47 -8.991 10.034 -2.226 843 HG3 ARG 47 HG3 ARG 47 -10.274 9.510 -1.146 844 HD2 ARG 47 HD2 ARG 47 -10.058 12.239 -2.442 845 HD3 ARG 47 HD3 ARG 47 -11.111 10.922 -2.982 846 HE ARG 47 HE ARG 47 -11.611 11.470 -0.269 847 HH11 ARG 47 HH11 ARG 47 -12.219 12.865 -3.439 848 HH12 ARG 47 HH12 ARG 47 -13.586 13.785 -2.890 849 HH21 ARG 47 HH21 ARG 47 -13.354 12.668 0.427 850 HH22 ARG 47 HH22 ARG 47 -14.217 13.691 -0.676 851 H ASN 48 H ASN 48 -6.690 11.029 1.408 852 HA ASN 48 HA ASN 48 -6.177 13.460 2.926 853 HB2 ASN 48 HB2 ASN 48 -8.357 11.544 3.837 854 HB3 ASN 48 HB3 ASN 48 -7.543 12.605 4.969 855 HD21 ASN 48 HD21 ASN 48 -10.375 12.373 4.076 856 HD22 ASN 48 HD22 ASN 48 -10.820 13.971 3.590 857 H SER 49 H SER 49 -4.806 10.837 1.968 858 HA SER 49 HA SER 49 -4.422 9.172 4.251 859 HB2 SER 49 HB2 SER 49 -4.168 8.442 1.880 860 HB3 SER 49 HB3 SER 49 -2.654 9.339 1.804 861 HG SER 49 HG SER 49 -2.909 6.905 2.537 862 H ALA 50 H ALA 50 -2.513 11.837 2.896 863 HA ALA 50 HA ALA 50 -0.302 11.749 4.587 864 HB1 ALA 50 HB1 ALA 50 -1.655 14.204 3.434 865 HB2 ALA 50 HB2 ALA 50 -0.458 13.199 2.612 866 HB3 ALA 50 HB3 ALA 50 0.001 14.124 4.046 867 H GLY 51 H GLY 51 -3.555 12.947 5.204 868 HA2 GLY 51 HA2 GLY 51 -2.873 13.797 7.946 869 HA3 GLY 51 HA3 GLY 51 -4.362 14.136 7.085 870 H ALA 52 H ALA 52 -3.841 10.951 6.475 871 HA ALA 52 HA ALA 52 -5.806 9.904 8.207 872 HB1 ALA 52 HB1 ALA 52 -5.104 7.688 7.350 873 HB2 ALA 52 HB2 ALA 52 -3.649 8.416 6.655 874 HB3 ALA 52 HB3 ALA 52 -5.240 8.866 6.038 875 H ASP 53 H ASP 53 -5.447 8.078 9.791 876 HA ASP 53 HA ASP 53 -3.246 8.726 11.619 877 HB2 ASP 53 HB2 ASP 53 -5.673 8.382 12.396 878 HB3 ASP 53 HB3 ASP 53 -5.443 6.667 12.069 879 H THR 54 H THR 54 -1.876 7.004 12.490 880 HA THR 54 HA THR 54 -1.539 4.658 10.709 881 HB THR 54 HB THR 54 0.613 6.141 12.277 882 HG1 THR 54 HG1 THR 54 -0.061 6.190 9.494 883 HG21 THR 54 HG21 THR 54 2.204 4.859 10.853 884 HG22 THR 54 HG22 THR 54 0.847 3.969 10.155 885 HG23 THR 54 HG23 THR 54 1.232 3.784 11.867 886 H VAL 55 H VAL 55 -2.567 3.109 11.754 887 HA VAL 55 HA VAL 55 -2.408 2.706 14.677 888 HB VAL 55 HB VAL 55 -4.322 1.591 12.567 889 HG11 VAL 55 HG11 VAL 55 -4.028 -0.133 14.268 890 HG12 VAL 55 HG12 VAL 55 -5.627 0.590 14.434 891 HG13 VAL 55 HG13 VAL 55 -4.340 1.030 15.561 892 HG21 VAL 55 HG21 VAL 55 -4.726 3.947 13.114 893 HG22 VAL 55 HG22 VAL 55 -4.821 3.558 14.833 894 HG23 VAL 55 HG23 VAL 55 -6.042 2.937 13.717 895 H ASP 56 H ASP 56 -1.175 1.094 15.446 896 HA ASP 56 HA ASP 56 -0.214 -1.063 13.659 897 HB2 ASP 56 HB2 ASP 56 1.483 0.440 14.753 898 HB3 ASP 56 HB3 ASP 56 0.947 -0.147 16.322 899 H LEU 57 H LEU 57 -1.174 -2.949 13.918 900 HA LEU 57 HA LEU 57 -2.506 -3.778 16.391 901 HB2 LEU 57 HB2 LEU 57 -2.527 -5.151 13.669 902 HB3 LEU 57 HB3 LEU 57 -3.544 -5.549 15.037 903 HG LEU 57 HG LEU 57 -4.942 -4.419 13.489 904 HD11 LEU 57 HD11 LEU 57 -5.686 -2.405 14.648 905 HD12 LEU 57 HD12 LEU 57 -4.197 -2.380 15.597 906 HD13 LEU 57 HD13 LEU 57 -5.340 -3.715 15.774 907 HD21 LEU 57 HD21 LEU 57 -3.249 -3.429 12.047 908 HD22 LEU 57 HD22 LEU 57 -2.902 -2.192 13.258 909 HD23 LEU 57 HD23 LEU 57 -4.484 -2.247 12.474 910 H THR 58 H THR 58 0.559 -4.349 14.903 911 HA THR 58 HA THR 58 0.620 -7.219 15.517 912 HB THR 58 HB THR 58 1.581 -6.678 13.395 913 HG1 THR 58 HG1 THR 58 3.701 -7.275 15.178 914 HG21 THR 58 HG21 THR 58 3.562 -4.860 14.781 915 HG22 THR 58 HG22 THR 58 2.232 -4.330 13.748 916 HG23 THR 58 HG23 THR 58 3.555 -5.280 13.067 917 H THR 59 H THR 59 1.386 -4.351 17.171 918 HA THR 59 HA THR 59 3.111 -5.822 19.074 919 HB THR 59 HB THR 59 4.560 -3.906 19.436 920 HG1 THR 59 HG1 THR 59 2.733 -2.553 17.776 921 HG21 THR 59 HG21 THR 59 5.263 -5.372 17.573 922 HG22 THR 59 HG22 THR 59 5.714 -3.695 17.253 923 HG23 THR 59 HG23 THR 59 4.316 -4.398 16.442 924 H MET 60 H MET 60 0.544 -3.558 18.447 925 HA MET 60 HA MET 60 0.149 -2.914 21.286 926 HB2 MET 60 HB2 MET 60 -0.161 -1.126 19.553 927 HB3 MET 60 HB3 MET 60 -1.469 -2.060 18.845 928 HG2 MET 60 HG2 MET 60 -2.737 -1.839 20.985 929 HG3 MET 60 HG3 MET 60 -1.447 -0.808 21.601 930 HE1 MET 60 HE1 MET 60 -4.432 -1.127 19.034 931 HE2 MET 60 HE2 MET 60 -3.044 -0.974 17.961 932 HE3 MET 60 HE3 MET 60 -4.224 0.329 18.058 933 H THR 61 H THR 61 -0.716 -4.520 22.394 934 HA THR 61 HA THR 61 -1.888 -6.260 23.141 935 HB THR 61 HB THR 61 -4.356 -6.164 22.959 936 HG1 THR 61 HG1 THR 61 -3.967 -4.983 20.685 937 HG21 THR 61 HG21 THR 61 -3.082 -3.452 23.463 938 HG22 THR 61 HG22 THR 61 -3.236 -4.753 24.643 939 HG23 THR 61 HG23 THR 61 -4.683 -3.953 24.020 940 H ALA 62 H ALA 62 -1.297 -8.153 22.424 941 HA ALA 62 HA ALA 62 -2.643 -9.495 20.225 942 HB1 ALA 62 HB1 ALA 62 -0.827 -8.319 19.031 943 HB2 ALA 62 HB2 ALA 62 -0.584 -10.065 18.991 944 HB3 ALA 62 HB3 ALA 62 0.375 -9.067 20.088 Start of MODEL 18 1 H MET 1 H MET 1 -12.706 6.988 9.926 2 HA MET 1 HA MET 1 -13.255 8.065 7.874 3 HB2 MET 1 HB2 MET 1 -12.034 10.202 8.438 4 HB3 MET 1 HB3 MET 1 -10.513 9.385 8.123 5 HG2 MET 1 HG2 MET 1 -11.353 9.004 5.749 6 HG3 MET 1 HG3 MET 1 -12.674 10.106 6.137 7 HE1 MET 1 HE1 MET 1 -10.474 13.360 7.067 8 HE2 MET 1 HE2 MET 1 -10.711 12.043 8.214 9 HE3 MET 1 HE3 MET 1 -12.067 12.620 7.240 10 H TYR 2 H TYR 2 -9.752 7.676 8.137 11 HA TYR 2 HA TYR 2 -9.723 4.886 7.586 12 HB2 TYR 2 HB2 TYR 2 -8.250 5.170 5.468 13 HB3 TYR 2 HB3 TYR 2 -9.990 5.311 5.300 14 HD1 TYR 2 HD1 TYR 2 -7.410 7.912 6.330 15 HD2 TYR 2 HD2 TYR 2 -10.361 6.707 3.476 16 HE1 TYR 2 HE1 TYR 2 -7.125 10.031 5.117 17 HE2 TYR 2 HE2 TYR 2 -10.053 8.817 2.287 18 HH TYR 2 HH TYR 2 -9.279 11.100 2.818 19 H LYS 3 H LYS 3 -7.445 4.114 7.399 20 HA LYS 3 HA LYS 3 -5.313 5.688 8.385 21 HB2 LYS 3 HB2 LYS 3 -5.120 4.279 10.617 22 HB3 LYS 3 HB3 LYS 3 -6.097 5.730 10.567 23 HG2 LYS 3 HG2 LYS 3 -7.195 3.984 11.841 24 HG3 LYS 3 HG3 LYS 3 -8.140 4.408 10.415 25 HD2 LYS 3 HD2 LYS 3 -7.495 2.360 9.295 26 HD3 LYS 3 HD3 LYS 3 -6.325 1.972 10.565 27 HE2 LYS 3 HE2 LYS 3 -8.055 1.580 12.164 28 HE3 LYS 3 HE3 LYS 3 -9.296 2.269 11.114 29 HZ1 LYS 3 HZ1 LYS 3 -8.857 0.386 9.597 30 HZ2 LYS 3 HZ2 LYS 3 -9.503 -0.051 11.090 31 HZ3 LYS 3 HZ3 LYS 3 -7.862 -0.285 10.789 32 H PHE 4 H PHE 4 -3.521 4.146 9.262 33 HA PHE 4 HA PHE 4 -3.176 2.035 7.234 34 HB2 PHE 4 HB2 PHE 4 -1.133 3.541 8.935 35 HB3 PHE 4 HB3 PHE 4 -0.734 2.243 7.812 36 HD1 PHE 4 HD1 PHE 4 -1.962 5.736 8.067 37 HD2 PHE 4 HD2 PHE 4 -0.676 2.628 5.420 38 HE1 PHE 4 HE1 PHE 4 -1.806 7.359 6.230 39 HE2 PHE 4 HE2 PHE 4 -0.509 4.268 3.597 40 HZ PHE 4 HZ PHE 4 -1.077 6.627 4.000 41 H GLU 5 H GLU 5 -3.485 0.026 7.932 42 HA GLU 5 HA GLU 5 -3.329 -0.628 10.806 43 HB2 GLU 5 HB2 GLU 5 -4.428 -2.304 8.510 44 HB3 GLU 5 HB3 GLU 5 -4.490 -2.719 10.216 45 HG2 GLU 5 HG2 GLU 5 -5.879 -0.622 10.555 46 HG3 GLU 5 HG3 GLU 5 -5.970 -0.505 8.794 47 H ILE 6 H ILE 6 -1.313 -1.307 11.428 48 HA ILE 6 HA ILE 6 0.506 -2.588 9.476 49 HB ILE 6 HB ILE 6 1.211 -1.497 12.244 50 HG12 ILE 6 HG12 ILE 6 1.684 -0.044 9.602 51 HG13 ILE 6 HG13 ILE 6 0.283 0.271 10.622 52 HG21 ILE 6 HG21 ILE 6 2.988 -2.202 9.859 53 HG22 ILE 6 HG22 ILE 6 2.793 -3.179 11.316 54 HG23 ILE 6 HG23 ILE 6 3.548 -1.584 11.418 55 HD11 ILE 6 HD11 ILE 6 1.765 0.962 12.437 56 HD12 ILE 6 HD12 ILE 6 2.023 1.906 10.969 57 HD13 ILE 6 HD13 ILE 6 3.163 0.638 11.407 58 H TYR 7 H TYR 7 0.777 -4.703 9.689 59 HA TYR 7 HA TYR 7 0.530 -6.023 12.299 60 HB2 TYR 7 HB2 TYR 7 -0.871 -7.820 11.288 61 HB3 TYR 7 HB3 TYR 7 -1.688 -6.265 11.290 62 HD1 TYR 7 HD1 TYR 7 -2.093 -5.043 9.165 63 HD2 TYR 7 HD2 TYR 7 -0.205 -8.877 9.141 64 HE1 TYR 7 HE1 TYR 7 -2.461 -5.210 6.742 65 HE2 TYR 7 HE2 TYR 7 -0.586 -9.042 6.713 66 HH TYR 7 HH TYR 7 -1.469 -6.403 4.801 67 H GLN 8 H GLN 8 1.194 -8.449 11.939 68 HA GLN 8 HA GLN 8 3.168 -8.757 9.756 69 HB2 GLN 8 HB2 GLN 8 4.698 -9.924 11.123 70 HB3 GLN 8 HB3 GLN 8 4.181 -8.585 12.143 71 HG2 GLN 8 HG2 GLN 8 2.576 -10.147 13.269 72 HG3 GLN 8 HG3 GLN 8 3.246 -11.461 12.313 73 HE21 GLN 8 HE21 GLN 8 6.022 -10.438 12.510 74 HE22 GLN 8 HE22 GLN 8 6.530 -10.794 14.118 75 H ASP 9 H ASP 9 3.306 -10.911 8.887 76 HA ASP 9 HA ASP 9 0.752 -12.379 9.066 77 HB2 ASP 9 HB2 ASP 9 1.562 -11.377 6.873 78 HB3 ASP 9 HB3 ASP 9 2.918 -12.497 6.911 79 H LYS 10 H LYS 10 1.266 -14.893 8.342 80 HA LYS 10 HA LYS 10 2.025 -16.229 10.600 81 HB2 LYS 10 HB2 LYS 10 0.693 -17.082 8.590 82 HB3 LYS 10 HB3 LYS 10 2.223 -17.450 7.816 83 HG2 LYS 10 HG2 LYS 10 1.494 -18.629 10.511 84 HG3 LYS 10 HG3 LYS 10 0.915 -19.356 9.014 85 HD2 LYS 10 HD2 LYS 10 3.259 -19.719 8.294 86 HD3 LYS 10 HD3 LYS 10 3.836 -18.968 9.781 87 HE2 LYS 10 HE2 LYS 10 2.778 -20.768 11.107 88 HE3 LYS 10 HE3 LYS 10 2.193 -21.518 9.622 89 HZ1 LYS 10 HZ1 LYS 10 5.044 -21.117 10.350 90 HZ2 LYS 10 HZ2 LYS 10 4.482 -21.851 8.934 91 HZ3 LYS 10 HZ3 LYS 10 4.199 -22.577 10.436 92 H ALA 11 H ALA 11 4.079 -15.300 7.965 93 HA ALA 11 HA ALA 11 6.410 -16.862 8.891 94 HB1 ALA 11 HB1 ALA 11 6.076 -15.038 6.497 95 HB2 ALA 11 HB2 ALA 11 5.971 -16.800 6.490 96 HB3 ALA 11 HB3 ALA 11 7.514 -16.012 6.838 97 H GLY 12 H GLY 12 5.161 -14.446 10.286 98 HA2 GLY 12 HA2 GLY 12 5.792 -12.676 11.577 99 HA3 GLY 12 HA3 GLY 12 7.465 -13.070 11.210 100 H GLU 13 H GLU 13 5.098 -12.407 8.674 101 HA GLU 13 HA GLU 13 7.074 -10.604 7.511 102 HB2 GLU 13 HB2 GLU 13 4.431 -11.713 6.477 103 HB3 GLU 13 HB3 GLU 13 5.419 -10.590 5.544 104 HG2 GLU 13 HG2 GLU 13 7.259 -12.218 5.518 105 HG3 GLU 13 HG3 GLU 13 6.306 -13.325 6.506 106 H TYR 14 H TYR 14 6.916 -8.839 8.983 107 HA TYR 14 HA TYR 14 4.794 -7.164 9.468 108 HB2 TYR 14 HB2 TYR 14 7.665 -6.346 8.847 109 HB3 TYR 14 HB3 TYR 14 6.438 -5.276 9.535 110 HD1 TYR 14 HD1 TYR 14 5.461 -5.760 11.792 111 HD2 TYR 14 HD2 TYR 14 8.765 -8.009 10.272 112 HE1 TYR 14 HE1 TYR 14 5.915 -6.622 14.042 113 HE2 TYR 14 HE2 TYR 14 9.213 -8.856 12.531 114 HH TYR 14 HH TYR 14 8.796 -8.191 14.851 115 H ARG 15 H ARG 15 3.394 -6.632 8.246 116 HA ARG 15 HA ARG 15 3.693 -5.369 5.602 117 HB2 ARG 15 HB2 ARG 15 1.680 -7.547 6.337 118 HB3 ARG 15 HB3 ARG 15 1.647 -6.624 4.837 119 HG2 ARG 15 HG2 ARG 15 3.609 -7.689 4.009 120 HG3 ARG 15 HG3 ARG 15 4.024 -8.339 5.601 121 HD2 ARG 15 HD2 ARG 15 2.171 -9.852 5.565 122 HD3 ARG 15 HD3 ARG 15 1.503 -9.103 4.115 123 HE ARG 15 HE ARG 15 4.139 -10.405 3.949 124 HH11 ARG 15 HH11 ARG 15 0.739 -10.434 3.047 125 HH12 ARG 15 HH12 ARG 15 0.924 -11.742 1.922 126 HH21 ARG 15 HH21 ARG 15 4.354 -12.142 2.464 127 HH22 ARG 15 HH22 ARG 15 2.953 -12.709 1.602 128 H PHE 16 H PHE 16 2.501 -3.517 5.520 129 HA PHE 16 HA PHE 16 0.242 -3.170 7.394 130 HB2 PHE 16 HB2 PHE 16 0.571 -0.721 7.166 131 HB3 PHE 16 HB3 PHE 16 1.968 -1.520 7.863 132 HD1 PHE 16 HD1 PHE 16 0.684 0.192 4.819 133 HD2 PHE 16 HD2 PHE 16 4.122 -1.434 6.772 134 HE1 PHE 16 HE1 PHE 16 2.152 1.335 3.209 135 HE2 PHE 16 HE2 PHE 16 5.575 -0.280 5.161 136 HZ PHE 16 HZ PHE 16 4.595 1.107 3.379 137 H ARG 17 H ARG 17 -1.424 -1.740 6.575 138 HA ARG 17 HA ARG 17 -1.837 -1.652 3.666 139 HB2 ARG 17 HB2 ARG 17 -4.207 -2.422 3.993 140 HB3 ARG 17 HB3 ARG 17 -3.004 -3.664 4.307 141 HG2 ARG 17 HG2 ARG 17 -3.275 -3.238 6.761 142 HG3 ARG 17 HG3 ARG 17 -4.585 -2.115 6.376 143 HD2 ARG 17 HD2 ARG 17 -5.921 -3.882 5.436 144 HD3 ARG 17 HD3 ARG 17 -4.571 -5.021 5.499 145 HE ARG 17 HE ARG 17 -5.677 -3.882 7.983 146 HH11 ARG 17 HH11 ARG 17 -5.011 -6.714 6.014 147 HH12 ARG 17 HH12 ARG 17 -5.474 -7.832 7.254 148 HH21 ARG 17 HH21 ARG 17 -6.294 -5.365 9.598 149 HH22 ARG 17 HH22 ARG 17 -6.201 -7.068 9.277 150 H PHE 18 H PHE 18 -3.755 -0.265 3.144 151 HA PHE 18 HA PHE 18 -4.289 1.843 5.164 152 HB2 PHE 18 HB2 PHE 18 -2.751 2.767 3.433 153 HB3 PHE 18 HB3 PHE 18 -3.862 2.260 2.172 154 HD1 PHE 18 HD1 PHE 18 -4.449 4.109 5.413 155 HD2 PHE 18 HD2 PHE 18 -4.630 4.203 1.145 156 HE1 PHE 18 HE1 PHE 18 -5.463 6.354 5.493 157 HE2 PHE 18 HE2 PHE 18 -5.624 6.442 1.224 158 HZ PHE 18 HZ PHE 18 -6.071 7.505 3.402 159 H LYS 19 H LYS 19 -6.339 2.481 5.286 160 HA LYS 19 HA LYS 19 -8.379 0.819 3.978 161 HB2 LYS 19 HB2 LYS 19 -8.548 2.712 6.381 162 HB3 LYS 19 HB3 LYS 19 -9.853 1.675 5.800 163 HG2 LYS 19 HG2 LYS 19 -7.189 0.707 6.905 164 HG3 LYS 19 HG3 LYS 19 -8.720 0.728 7.785 165 HD2 LYS 19 HD2 LYS 19 -8.244 -0.842 5.219 166 HD3 LYS 19 HD3 LYS 19 -8.072 -1.529 6.826 167 HE2 LYS 19 HE2 LYS 19 -10.479 -0.999 7.264 168 HE3 LYS 19 HE3 LYS 19 -10.625 -0.424 5.604 169 HZ1 LYS 19 HZ1 LYS 19 -11.400 -2.679 5.779 170 HZ2 LYS 19 HZ2 LYS 19 -9.944 -3.178 6.468 171 HZ3 LYS 19 HZ3 LYS 19 -9.977 -2.660 4.864 172 H ALA 20 H ALA 20 -10.534 2.204 3.887 173 HA ALA 20 HA ALA 20 -10.098 4.787 2.527 174 HB1 ALA 20 HB1 ALA 20 -10.376 3.064 0.773 175 HB2 ALA 20 HB2 ALA 20 -11.763 4.153 0.806 176 HB3 ALA 20 HB3 ALA 20 -11.892 2.540 1.510 177 H SER 21 H SER 21 -12.006 6.140 2.563 178 HA SER 21 HA SER 21 -13.212 6.450 4.999 179 HB2 SER 21 HB2 SER 21 -14.250 7.469 2.329 180 HB3 SER 21 HB3 SER 21 -14.650 8.136 3.917 181 HG SER 21 HG SER 21 -12.234 8.230 2.491 182 H ASN 22 H ASN 22 -14.426 4.390 2.428 183 HA ASN 22 HA ASN 22 -17.081 4.038 3.549 184 HB2 ASN 22 HB2 ASN 22 -16.787 3.835 1.135 185 HB3 ASN 22 HB3 ASN 22 -15.591 2.562 1.333 186 HD21 ASN 22 HD21 ASN 22 -16.293 0.459 1.653 187 HD22 ASN 22 HD22 ASN 22 -17.951 -0.015 1.564 188 H GLY 23 H GLY 23 -14.042 2.862 4.386 189 HA2 GLY 23 HA2 GLY 23 -13.361 1.323 5.952 190 HA3 GLY 23 HA3 GLY 23 -15.021 0.780 6.124 191 H GLU 24 H GLU 24 -12.466 0.832 3.651 192 HA GLU 24 HA GLU 24 -12.490 -2.089 3.438 193 HB2 GLU 24 HB2 GLU 24 -12.614 -2.008 0.943 194 HB3 GLU 24 HB3 GLU 24 -14.099 -1.450 1.705 195 HG2 GLU 24 HG2 GLU 24 -13.306 0.924 1.342 196 HG3 GLU 24 HG3 GLU 24 -11.956 0.267 0.416 197 H THR 25 H THR 25 -10.527 -2.893 2.519 198 HA THR 25 HA THR 25 -8.239 -1.076 2.706 199 HB THR 25 HB THR 25 -8.421 -4.094 2.422 200 HG1 THR 25 HG1 THR 25 -7.738 -4.062 4.586 201 HG21 THR 25 HG21 THR 25 -6.300 -3.344 1.402 202 HG22 THR 25 HG22 THR 25 -5.997 -4.170 2.930 203 HG23 THR 25 HG23 THR 25 -5.933 -2.408 2.855 204 H MET 26 H MET 26 -7.015 -0.534 1.081 205 HA MET 26 HA MET 26 -7.857 -1.184 -1.699 206 HB2 MET 26 HB2 MET 26 -7.041 1.221 -2.205 207 HB3 MET 26 HB3 MET 26 -8.583 1.014 -1.390 208 HG2 MET 26 HG2 MET 26 -7.334 2.850 -0.420 209 HG3 MET 26 HG3 MET 26 -7.533 1.556 0.764 210 HE1 MET 26 HE1 MET 26 -5.141 3.367 -1.692 211 HE2 MET 26 HE2 MET 26 -4.982 1.699 -2.251 212 HE3 MET 26 HE3 MET 26 -3.625 2.501 -1.462 213 H PHE 27 H PHE 27 -5.044 -0.726 0.402 214 HA PHE 27 HA PHE 27 -3.644 -2.506 -1.437 215 HB2 PHE 27 HB2 PHE 27 -1.737 -1.239 -1.873 216 HB3 PHE 27 HB3 PHE 27 -2.932 0.038 -1.849 217 HD1 PHE 27 HD1 PHE 27 -0.038 -1.468 -0.065 218 HD2 PHE 27 HD2 PHE 27 -2.881 1.713 -0.093 219 HE1 PHE 27 HE1 PHE 27 1.264 -0.229 1.640 220 HE2 PHE 27 HE2 PHE 27 -1.613 2.945 1.541 221 HZ PHE 27 HZ PHE 27 0.494 1.981 2.445 222 H SER 28 H SER 28 -1.817 -3.476 -0.488 223 HA SER 28 HA SER 28 -1.153 -3.330 2.295 224 HB2 SER 28 HB2 SER 28 -1.920 -5.654 2.905 225 HB3 SER 28 HB3 SER 28 -3.276 -4.578 2.555 226 HG SER 28 HG SER 28 -3.070 -5.500 0.330 227 H SER 29 H SER 29 0.422 -5.215 2.868 228 HA SER 29 HA SER 29 1.742 -6.996 2.530 229 HB2 SER 29 HB2 SER 29 0.118 -7.422 -0.007 230 HB3 SER 29 HB3 SER 29 1.131 -8.636 0.780 231 HG SER 29 HG SER 29 -1.397 -7.953 1.312 232 H GLU 30 H GLU 30 2.523 -4.443 1.533 233 HA GLU 30 HA GLU 30 4.343 -4.643 -0.567 234 HB2 GLU 30 HB2 GLU 30 5.711 -2.952 1.091 235 HB3 GLU 30 HB3 GLU 30 4.370 -2.455 0.088 236 HG2 GLU 30 HG2 GLU 30 4.327 -1.546 2.412 237 HG3 GLU 30 HG3 GLU 30 2.865 -2.391 1.916 238 H GLY 31 H GLY 31 4.710 -5.643 2.884 239 HA2 GLY 31 HA2 GLY 31 6.129 -7.111 3.865 240 HA3 GLY 31 HA3 GLY 31 6.496 -7.747 2.263 241 H TYR 32 H TYR 32 7.126 -4.724 4.166 242 HA TYR 32 HA TYR 32 9.136 -3.997 2.229 243 HB2 TYR 32 HB2 TYR 32 7.596 -2.295 3.213 244 HB3 TYR 32 HB3 TYR 32 8.330 -2.549 4.797 245 HD1 TYR 32 HD1 TYR 32 9.784 -2.115 1.347 246 HD2 TYR 32 HD2 TYR 32 9.590 -0.618 5.345 247 HE1 TYR 32 HE1 TYR 32 11.492 -0.436 0.803 248 HE2 TYR 32 HE2 TYR 32 11.303 1.056 4.793 249 HH TYR 32 HH TYR 32 12.274 1.732 1.600 250 H LYS 33 H LYS 33 9.260 -4.534 5.797 251 HA LYS 33 HA LYS 33 11.701 -6.005 5.678 252 HB2 LYS 33 HB2 LYS 33 12.665 -3.776 5.227 253 HB3 LYS 33 HB3 LYS 33 11.921 -3.136 6.677 254 HG2 LYS 33 HG2 LYS 33 14.287 -3.486 7.043 255 HG3 LYS 33 HG3 LYS 33 13.360 -4.584 8.071 256 HD2 LYS 33 HD2 LYS 33 13.796 -6.431 6.478 257 HD3 LYS 33 HD3 LYS 33 14.710 -5.327 5.445 258 HE2 LYS 33 HE2 LYS 33 16.352 -4.987 7.269 259 HE3 LYS 33 HE3 LYS 33 15.435 -6.087 8.299 260 HZ1 LYS 33 HZ1 LYS 33 16.792 -6.787 5.756 261 HZ2 LYS 33 HZ2 LYS 33 15.858 -7.852 6.677 262 HZ3 LYS 33 HZ3 LYS 33 17.290 -7.218 7.314 263 H ALA 34 H ALA 34 10.510 -3.644 8.105 264 HA ALA 34 HA ALA 34 9.627 -5.730 9.943 265 HB1 ALA 34 HB1 ALA 34 12.058 -5.659 10.393 266 HB2 ALA 34 HB2 ALA 34 11.144 -5.034 11.768 267 HB3 ALA 34 HB3 ALA 34 11.962 -3.918 10.671 268 H LYS 35 H LYS 35 9.116 -4.261 12.273 269 HA LYS 35 HA LYS 35 6.917 -2.713 11.460 270 HB2 LYS 35 HB2 LYS 35 6.968 -3.916 13.600 271 HB3 LYS 35 HB3 LYS 35 8.306 -2.919 14.161 272 HG2 LYS 35 HG2 LYS 35 6.629 -0.916 13.804 273 HG3 LYS 35 HG3 LYS 35 5.394 -2.177 13.831 274 HD2 LYS 35 HD2 LYS 35 7.417 -1.614 16.038 275 HD3 LYS 35 HD3 LYS 35 5.721 -1.130 16.057 276 HE2 LYS 35 HE2 LYS 35 6.678 -4.007 15.927 277 HE3 LYS 35 HE3 LYS 35 6.199 -3.177 17.409 278 HZ1 LYS 35 HZ1 LYS 35 4.010 -3.032 16.700 279 HZ2 LYS 35 HZ2 LYS 35 4.472 -4.589 16.237 280 HZ3 LYS 35 HZ3 LYS 35 4.387 -3.350 15.089 281 H ALA 36 H ALA 36 10.069 -1.726 12.841 282 HA ALA 36 HA ALA 36 9.760 1.019 12.949 283 HB1 ALA 36 HB1 ALA 36 11.711 -0.158 13.893 284 HB2 ALA 36 HB2 ALA 36 12.220 1.180 12.862 285 HB3 ALA 36 HB3 ALA 36 12.315 -0.479 12.266 286 H SER 37 H SER 37 10.838 -0.965 10.203 287 HA SER 37 HA SER 37 11.173 1.192 8.352 288 HB2 SER 37 HB2 SER 37 10.743 -1.755 7.708 289 HB3 SER 37 HB3 SER 37 11.532 -0.538 6.700 290 HG SER 37 HG SER 37 13.093 -0.360 8.471 291 H ALA 38 H ALA 38 8.460 -0.766 9.378 292 HA ALA 38 HA ALA 38 6.742 -0.357 7.151 293 HB1 ALA 38 HB1 ALA 38 6.008 -1.043 10.024 294 HB2 ALA 38 HB2 ALA 38 6.368 -2.201 8.743 295 HB3 ALA 38 HB3 ALA 38 4.938 -1.175 8.621 296 H ILE 39 H ILE 39 6.710 1.153 10.451 297 HA ILE 39 HA ILE 39 5.025 3.278 9.997 298 HB ILE 39 HB ILE 39 7.421 3.015 11.862 299 HG12 ILE 39 HG12 ILE 39 5.590 3.163 13.645 300 HG13 ILE 39 HG13 ILE 39 4.403 3.124 12.347 301 HG21 ILE 39 HG21 ILE 39 5.622 5.465 11.725 302 HG22 ILE 39 HG22 ILE 39 7.348 5.410 11.364 303 HG23 ILE 39 HG23 ILE 39 6.788 5.126 13.012 304 HD11 ILE 39 HD11 ILE 39 4.658 0.976 13.430 305 HD12 ILE 39 HD12 ILE 39 6.373 0.944 13.014 306 HD13 ILE 39 HD13 ILE 39 5.153 0.887 11.739 307 H HIS 40 H HIS 40 8.564 3.164 9.422 308 HA HIS 40 HA HIS 40 8.932 5.833 8.613 309 HB2 HIS 40 HB2 HIS 40 10.518 3.302 8.283 310 HB3 HIS 40 HB3 HIS 40 10.969 4.667 7.271 311 HD1 HIS 40 HD1 HIS 40 12.610 6.210 8.261 312 HD2 HIS 40 HD2 HIS 40 10.530 4.116 11.179 313 HE1 HIS 40 HE1 HIS 40 13.669 6.858 10.442 314 HE2 HIS 40 HE2 HIS 40 12.375 5.607 12.194 315 H ALA 41 H ALA 41 8.211 2.931 6.632 316 HA ALA 41 HA ALA 41 8.177 4.131 4.121 317 HB1 ALA 41 HB1 ALA 41 8.099 1.687 4.464 318 HB2 ALA 41 HB2 ALA 41 6.769 2.223 3.435 319 HB3 ALA 41 HB3 ALA 41 6.470 1.819 5.130 320 H ILE 42 H ILE 42 5.490 3.566 6.400 321 HA ILE 42 HA ILE 42 3.456 4.936 5.069 322 HB ILE 42 HB ILE 42 3.883 4.520 8.055 323 HG12 ILE 42 HG12 ILE 42 2.069 2.983 6.135 324 HG13 ILE 42 HG13 ILE 42 3.706 2.470 6.537 325 HG21 ILE 42 HG21 ILE 42 1.337 5.377 6.621 326 HG22 ILE 42 HG22 ILE 42 2.283 6.360 7.739 327 HG23 ILE 42 HG23 ILE 42 1.446 4.925 8.326 328 HD11 ILE 42 HD11 ILE 42 1.467 2.804 8.509 329 HD12 ILE 42 HD12 ILE 42 3.098 2.199 8.839 330 HD13 ILE 42 HD13 ILE 42 2.009 1.287 7.795 331 H GLU 43 H GLU 43 6.132 6.206 6.960 332 HA GLU 43 HA GLU 43 5.089 8.790 7.480 333 HB2 GLU 43 HB2 GLU 43 7.934 7.740 7.417 334 HB3 GLU 43 HB3 GLU 43 7.598 9.440 7.719 335 HG2 GLU 43 HG2 GLU 43 6.464 7.190 9.411 336 HG3 GLU 43 HG3 GLU 43 7.982 8.012 9.764 337 H SER 44 H SER 44 6.859 7.413 4.688 338 HA SER 44 HA SER 44 7.183 9.685 3.094 339 HB2 SER 44 HB2 SER 44 6.446 6.830 2.394 340 HB3 SER 44 HB3 SER 44 6.536 8.045 1.121 341 HG SER 44 HG SER 44 8.713 8.483 2.007 342 H ILE 45 H ILE 45 4.252 7.844 3.792 343 HA ILE 45 HA ILE 45 2.678 9.084 1.759 344 HB ILE 45 HB ILE 45 1.329 7.806 4.175 345 HG12 ILE 45 HG12 ILE 45 3.254 6.247 3.433 346 HG13 ILE 45 HG13 ILE 45 1.642 5.550 3.406 347 HG21 ILE 45 HG21 ILE 45 0.790 7.827 1.182 348 HG22 ILE 45 HG22 ILE 45 -0.019 8.823 2.407 349 HG23 ILE 45 HG23 ILE 45 -0.253 7.074 2.406 350 HD11 ILE 45 HD11 ILE 45 3.161 6.572 1.021 351 HD12 ILE 45 HD12 ILE 45 1.560 5.827 0.987 352 HD13 ILE 45 HD13 ILE 45 2.961 4.888 1.491 353 H LYS 46 H LYS 46 2.978 9.408 5.308 354 HA LYS 46 HA LYS 46 1.076 11.338 5.794 355 HB2 LYS 46 HB2 LYS 46 3.661 11.124 7.388 356 HB3 LYS 46 HB3 LYS 46 2.071 11.618 7.958 357 HG2 LYS 46 HG2 LYS 46 3.045 8.834 7.291 358 HG3 LYS 46 HG3 LYS 46 2.440 9.439 8.831 359 HD2 LYS 46 HD2 LYS 46 0.775 9.043 6.305 360 HD3 LYS 46 HD3 LYS 46 0.811 7.947 7.685 361 HE2 LYS 46 HE2 LYS 46 0.005 10.848 7.974 362 HE3 LYS 46 HE3 LYS 46 -1.133 9.597 7.531 363 HZ1 LYS 46 HZ1 LYS 46 -0.564 8.425 9.577 364 HZ2 LYS 46 HZ2 LYS 46 -1.144 9.979 9.900 365 HZ3 LYS 46 HZ3 LYS 46 0.512 9.661 9.991 366 H ARG 47 H ARG 47 4.125 11.722 4.367 367 HA ARG 47 HA ARG 47 4.764 14.382 5.038 368 HB2 ARG 47 HB2 ARG 47 5.552 12.794 2.560 369 HB3 ARG 47 HB3 ARG 47 6.206 14.383 2.951 370 HG2 ARG 47 HG2 ARG 47 6.557 11.821 4.518 371 HG3 ARG 47 HG3 ARG 47 7.796 12.720 3.652 372 HD2 ARG 47 HD2 ARG 47 7.789 14.478 5.263 373 HD3 ARG 47 HD3 ARG 47 6.280 13.929 5.997 374 HE ARG 47 HE ARG 47 8.911 12.600 6.244 375 HH11 ARG 47 HH11 ARG 47 5.662 13.122 7.484 376 HH12 ARG 47 HH12 ARG 47 5.958 12.262 8.959 377 HH21 ARG 47 HH21 ARG 47 9.281 11.470 8.200 378 HH22 ARG 47 HH22 ARG 47 7.998 11.318 9.359 379 H ASN 48 H ASN 48 3.546 13.397 1.766 380 HA ASN 48 HA ASN 48 1.578 15.493 1.663 381 HB2 ASN 48 HB2 ASN 48 3.772 16.748 1.331 382 HB3 ASN 48 HB3 ASN 48 4.067 15.769 -0.100 383 HD21 ASN 48 HD21 ASN 48 4.040 17.416 -1.589 384 HD22 ASN 48 HD22 ASN 48 2.649 18.370 -1.948 385 H SER 49 H SER 49 1.843 12.542 1.251 386 HA SER 49 HA SER 49 2.040 11.842 -1.500 387 HB2 SER 49 HB2 SER 49 2.379 10.235 0.344 388 HB3 SER 49 HB3 SER 49 0.661 10.316 0.724 389 HG SER 49 HG SER 49 1.686 8.619 -0.836 390 H ALA 50 H ALA 50 -0.749 12.775 0.487 391 HA ALA 50 HA ALA 50 -2.795 12.290 -1.342 392 HB1 ALA 50 HB1 ALA 50 -4.083 13.978 -0.106 393 HB2 ALA 50 HB2 ALA 50 -2.602 14.566 0.658 394 HB3 ALA 50 HB3 ALA 50 -3.182 12.936 1.000 395 H GLY 51 H GLY 51 -0.443 14.902 -1.208 396 HA2 GLY 51 HA2 GLY 51 -1.544 16.225 -3.602 397 HA3 GLY 51 HA3 GLY 51 -0.291 16.847 -2.542 398 H ALA 52 H ALA 52 0.580 13.684 -3.053 399 HA ALA 52 HA ALA 52 2.688 14.147 -4.864 400 HB1 ALA 52 HB1 ALA 52 2.701 12.269 -3.265 401 HB2 ALA 52 HB2 ALA 52 2.956 11.684 -4.911 402 HB3 ALA 52 HB3 ALA 52 1.376 11.496 -4.140 403 H ASP 53 H ASP 53 2.898 12.553 -6.881 404 HA ASP 53 HA ASP 53 0.586 13.064 -8.667 405 HB2 ASP 53 HB2 ASP 53 2.806 14.147 -9.229 406 HB3 ASP 53 HB3 ASP 53 3.492 12.542 -9.439 407 H THR 54 H THR 54 0.020 11.384 -10.214 408 HA THR 54 HA THR 54 0.785 8.625 -9.407 409 HB THR 54 HB THR 54 -1.900 9.540 -10.544 410 HG1 THR 54 HG1 THR 54 -2.635 9.505 -8.474 411 HG21 THR 54 HG21 THR 54 -2.695 7.294 -9.767 412 HG22 THR 54 HG22 THR 54 -1.028 6.868 -9.367 413 HG23 THR 54 HG23 THR 54 -1.478 7.175 -11.044 414 H VAL 55 H VAL 55 2.077 7.798 -10.869 415 HA VAL 55 HA VAL 55 1.904 8.473 -13.760 416 HB VAL 55 HB VAL 55 4.286 7.433 -12.148 417 HG11 VAL 55 HG11 VAL 55 4.171 8.251 -15.077 418 HG12 VAL 55 HG12 VAL 55 4.426 6.624 -14.445 419 HG13 VAL 55 HG13 VAL 55 5.647 7.868 -14.181 420 HG21 VAL 55 HG21 VAL 55 3.788 9.753 -11.572 421 HG22 VAL 55 HG22 VAL 55 3.790 10.211 -13.278 422 HG23 VAL 55 HG23 VAL 55 5.283 9.670 -12.504 423 H ASP 56 H ASP 56 1.370 6.832 -15.135 424 HA ASP 56 HA ASP 56 1.434 4.031 -14.163 425 HB2 ASP 56 HB2 ASP 56 -0.781 5.015 -14.912 426 HB3 ASP 56 HB3 ASP 56 -0.134 5.106 -16.550 427 H LEU 57 H LEU 57 3.196 3.025 -14.759 428 HA LEU 57 HA LEU 57 4.729 3.556 -17.154 429 HB2 LEU 57 HB2 LEU 57 5.103 1.533 -14.908 430 HB3 LEU 57 HB3 LEU 57 6.212 1.696 -16.257 431 HG LEU 57 HG LEU 57 7.183 2.821 -14.361 432 HD11 LEU 57 HD11 LEU 57 6.116 4.915 -16.270 433 HD12 LEU 57 HD12 LEU 57 7.547 3.911 -16.517 434 HD13 LEU 57 HD13 LEU 57 7.515 5.086 -15.204 435 HD21 LEU 57 HD21 LEU 57 6.124 4.668 -13.159 436 HD22 LEU 57 HD22 LEU 57 5.172 3.192 -13.016 437 HD23 LEU 57 HD23 LEU 57 4.650 4.473 -14.116 438 H THR 58 H THR 58 2.130 1.392 -16.372 439 HA THR 58 HA THR 58 3.073 -0.740 -18.176 440 HB THR 58 HB THR 58 2.370 -1.483 -15.971 441 HG1 THR 58 HG1 THR 58 0.472 -2.321 -17.902 442 HG21 THR 58 HG21 THR 58 0.050 -1.411 -15.195 443 HG22 THR 58 HG22 THR 58 -0.409 -0.457 -16.604 444 HG23 THR 58 HG23 THR 58 0.682 0.224 -15.397 445 H THR 59 H THR 59 1.495 2.051 -18.626 446 HA THR 59 HA THR 59 -0.546 1.183 -20.490 447 HB THR 59 HB THR 59 -0.239 3.748 -21.245 448 HG1 THR 59 HG1 THR 59 0.624 4.048 -18.578 449 HG21 THR 59 HG21 THR 59 -2.257 2.889 -20.107 450 HG22 THR 59 HG22 THR 59 -1.795 4.472 -19.482 451 HG23 THR 59 HG23 THR 59 -1.439 3.018 -18.549 452 H MET 60 H MET 60 2.887 1.789 -20.558 453 HA MET 60 HA MET 60 3.192 1.834 -23.415 454 HB2 MET 60 HB2 MET 60 4.954 2.767 -21.946 455 HB3 MET 60 HB3 MET 60 5.222 1.184 -21.229 456 HG2 MET 60 HG2 MET 60 5.985 0.331 -23.422 457 HG3 MET 60 HG3 MET 60 5.744 1.934 -24.118 458 HE1 MET 60 HE1 MET 60 8.475 0.278 -24.319 459 HE2 MET 60 HE2 MET 60 9.660 1.540 -23.985 460 HE3 MET 60 HE3 MET 60 8.280 1.887 -25.023 461 H THR 61 H THR 61 3.531 -0.673 -20.893 462 HA THR 61 HA THR 61 4.033 -2.813 -22.771 463 HB THR 61 HB THR 61 3.872 -4.293 -20.721 464 HG1 THR 61 HG1 THR 61 2.549 -3.260 -19.316 465 HG21 THR 61 HG21 THR 61 5.726 -1.893 -20.446 466 HG22 THR 61 HG22 THR 61 6.056 -3.353 -21.379 467 HG23 THR 61 HG23 THR 61 5.925 -3.444 -19.622 468 H ALA 62 H ALA 62 2.651 -4.681 -23.025 469 HA ALA 62 HA ALA 62 -0.177 -4.489 -22.308 470 HB1 ALA 62 HB1 ALA 62 -0.955 -4.697 -24.643 471 HB2 ALA 62 HB2 ALA 62 0.706 -4.569 -25.225 472 HB3 ALA 62 HB3 ALA 62 -0.050 -3.198 -24.412 473 H MET 1 H MET 1 10.963 15.077 -6.259 474 HA MET 1 HA MET 1 10.245 15.278 -4.018 475 HB2 MET 1 HB2 MET 1 8.319 16.823 -4.552 476 HB3 MET 1 HB3 MET 1 7.408 15.446 -5.152 477 HG2 MET 1 HG2 MET 1 7.593 14.438 -2.844 478 HG3 MET 1 HG3 MET 1 8.295 15.963 -2.307 479 HE1 MET 1 HE1 MET 1 6.936 18.333 -2.515 480 HE2 MET 1 HE2 MET 1 5.255 18.428 -3.040 481 HE3 MET 1 HE3 MET 1 6.514 17.997 -4.196 482 H TYR 2 H TYR 2 7.477 13.643 -5.510 483 HA TYR 2 HA TYR 2 8.621 11.098 -5.905 484 HB2 TYR 2 HB2 TYR 2 7.298 9.922 -4.007 485 HB3 TYR 2 HB3 TYR 2 8.813 10.708 -3.600 486 HD1 TYR 2 HD1 TYR 2 5.323 12.159 -3.924 487 HD2 TYR 2 HD2 TYR 2 8.641 11.337 -1.357 488 HE1 TYR 2 HE1 TYR 2 4.206 13.343 -2.086 489 HE2 TYR 2 HE2 TYR 2 7.514 12.520 0.462 490 HH TYR 2 HH TYR 2 5.799 14.309 0.665 491 H LYS 3 H LYS 3 6.764 9.385 -6.064 492 HA LYS 3 HA LYS 3 4.137 10.236 -6.638 493 HB2 LYS 3 HB2 LYS 3 4.241 9.762 -9.191 494 HB3 LYS 3 HB3 LYS 3 4.819 11.313 -8.624 495 HG2 LYS 3 HG2 LYS 3 6.311 10.610 -10.317 496 HG3 LYS 3 HG3 LYS 3 7.172 10.429 -8.790 497 HD2 LYS 3 HD2 LYS 3 6.924 8.030 -8.838 498 HD3 LYS 3 HD3 LYS 3 5.775 8.115 -10.179 499 HE2 LYS 3 HE2 LYS 3 7.961 7.384 -10.982 500 HE3 LYS 3 HE3 LYS 3 7.583 8.969 -11.648 501 HZ1 LYS 3 HZ1 LYS 3 9.851 8.858 -10.924 502 HZ2 LYS 3 HZ2 LYS 3 9.379 8.385 -9.373 503 HZ3 LYS 3 HZ3 LYS 3 9.004 9.933 -9.931 504 H PHE 4 H PHE 4 3.022 8.484 -8.102 505 HA PHE 4 HA PHE 4 3.641 5.869 -6.886 506 HB2 PHE 4 HB2 PHE 4 1.075 6.958 -8.135 507 HB3 PHE 4 HB3 PHE 4 1.269 5.303 -7.557 508 HD1 PHE 4 HD1 PHE 4 1.017 8.860 -6.502 509 HD2 PHE 4 HD2 PHE 4 1.250 4.793 -5.186 510 HE1 PHE 4 HE1 PHE 4 0.365 9.552 -4.239 511 HE2 PHE 4 HE2 PHE 4 0.584 5.496 -2.925 512 HZ PHE 4 HZ PHE 4 0.147 7.871 -2.459 513 H GLU 5 H GLU 5 4.652 4.487 -8.151 514 HA GLU 5 HA GLU 5 4.570 4.741 -11.085 515 HB2 GLU 5 HB2 GLU 5 6.502 3.384 -9.162 516 HB3 GLU 5 HB3 GLU 5 6.488 2.958 -10.876 517 HG2 GLU 5 HG2 GLU 5 6.979 5.278 -11.475 518 HG3 GLU 5 HG3 GLU 5 6.895 5.743 -9.775 519 H ILE 6 H ILE 6 2.957 3.599 -12.034 520 HA ILE 6 HA ILE 6 1.905 1.164 -10.726 521 HB ILE 6 HB ILE 6 0.653 2.713 -13.045 522 HG12 ILE 6 HG12 ILE 6 -0.154 2.948 -10.107 523 HG13 ILE 6 HG13 ILE 6 0.890 4.109 -10.919 524 HG21 ILE 6 HG21 ILE 6 -1.409 1.458 -12.436 525 HG22 ILE 6 HG22 ILE 6 -0.538 0.634 -11.141 526 HG23 ILE 6 HG23 ILE 6 -0.086 0.350 -12.826 527 HD11 ILE 6 HD11 ILE 6 -0.910 4.631 -12.486 528 HD12 ILE 6 HD12 ILE 6 -1.395 4.889 -10.811 529 HD13 ILE 6 HD13 ILE 6 -1.949 3.457 -11.673 530 H TYR 7 H TYR 7 2.452 -0.701 -11.621 531 HA TYR 7 HA TYR 7 3.026 -0.910 -14.487 532 HB2 TYR 7 HB2 TYR 7 5.072 -2.268 -13.995 533 HB3 TYR 7 HB3 TYR 7 5.226 -0.586 -13.511 534 HD1 TYR 7 HD1 TYR 7 4.888 -4.059 -12.236 535 HD2 TYR 7 HD2 TYR 7 5.370 0.055 -11.149 536 HE1 TYR 7 HE1 TYR 7 5.422 -4.714 -9.921 537 HE2 TYR 7 HE2 TYR 7 5.891 -0.606 -8.852 538 HH TYR 7 HH TYR 7 6.524 -3.867 -7.974 539 H GLN 8 H GLN 8 3.373 -3.363 -14.992 540 HA GLN 8 HA GLN 8 1.832 -5.111 -13.158 541 HB2 GLN 8 HB2 GLN 8 0.784 -6.276 -14.927 542 HB3 GLN 8 HB3 GLN 8 0.632 -4.581 -15.362 543 HG2 GLN 8 HG2 GLN 8 2.680 -4.939 -16.856 544 HG3 GLN 8 HG3 GLN 8 2.459 -6.662 -16.574 545 HE21 GLN 8 HE21 GLN 8 0.426 -7.620 -17.282 546 HE22 GLN 8 HE22 GLN 8 -0.461 -6.946 -18.590 547 H ASP 9 H ASP 9 2.583 -7.308 -13.033 548 HA ASP 9 HA ASP 9 5.487 -7.510 -13.503 549 HB2 ASP 9 HB2 ASP 9 4.152 -7.788 -11.169 550 HB3 ASP 9 HB3 ASP 9 3.964 -9.442 -11.738 551 H LYS 10 H LYS 10 6.046 -10.113 -13.615 552 HA LYS 10 HA LYS 10 5.732 -10.867 -16.225 553 HB2 LYS 10 HB2 LYS 10 6.751 -12.983 -15.706 554 HB3 LYS 10 HB3 LYS 10 7.454 -11.787 -14.628 555 HG2 LYS 10 HG2 LYS 10 5.203 -13.631 -13.759 556 HG3 LYS 10 HG3 LYS 10 6.893 -14.100 -13.636 557 HD2 LYS 10 HD2 LYS 10 5.719 -11.633 -12.299 558 HD3 LYS 10 HD3 LYS 10 5.868 -13.202 -11.504 559 HE2 LYS 10 HE2 LYS 10 8.334 -13.112 -11.846 560 HE3 LYS 10 HE3 LYS 10 8.155 -11.519 -12.587 561 HZ1 LYS 10 HZ1 LYS 10 7.513 -12.241 -9.777 562 HZ2 LYS 10 HZ2 LYS 10 7.205 -10.738 -10.475 563 HZ3 LYS 10 HZ3 LYS 10 8.792 -11.275 -10.315 564 H ALA 11 H ALA 11 3.602 -11.658 -13.614 565 HA ALA 11 HA ALA 11 2.038 -13.651 -15.145 566 HB1 ALA 11 HB1 ALA 11 1.820 -12.727 -12.268 567 HB2 ALA 11 HB2 ALA 11 2.572 -14.216 -12.836 568 HB3 ALA 11 HB3 ALA 11 0.828 -13.993 -12.998 569 H GLY 12 H GLY 12 2.170 -10.643 -15.596 570 HA2 GLY 12 HA2 GLY 12 0.847 -8.940 -16.295 571 HA3 GLY 12 HA3 GLY 12 -0.529 -10.027 -16.211 572 H GLU 13 H GLU 13 1.544 -9.346 -13.423 573 HA GLU 13 HA GLU 13 -0.900 -8.962 -11.872 574 HB2 GLU 13 HB2 GLU 13 2.015 -9.046 -11.013 575 HB3 GLU 13 HB3 GLU 13 0.650 -8.954 -9.899 576 HG2 GLU 13 HG2 GLU 13 -0.135 -11.133 -10.660 577 HG3 GLU 13 HG3 GLU 13 1.176 -11.213 -11.837 578 H TYR 14 H TYR 14 -1.611 -6.907 -12.591 579 HA TYR 14 HA TYR 14 -0.271 -4.524 -12.462 580 HB2 TYR 14 HB2 TYR 14 -3.200 -5.066 -11.859 581 HB3 TYR 14 HB3 TYR 14 -2.523 -3.444 -12.032 582 HD1 TYR 14 HD1 TYR 14 -1.556 -2.704 -14.221 583 HD2 TYR 14 HD2 TYR 14 -3.559 -6.465 -13.851 584 HE1 TYR 14 HE1 TYR 14 -1.690 -2.874 -16.670 585 HE2 TYR 14 HE2 TYR 14 -3.681 -6.635 -16.294 586 HH TYR 14 HH TYR 14 -1.896 -4.813 -18.376 587 H ARG 15 H ARG 15 0.891 -3.840 -11.055 588 HA ARG 15 HA ARG 15 0.297 -3.703 -8.173 589 HB2 ARG 15 HB2 ARG 15 2.918 -4.616 -9.442 590 HB3 ARG 15 HB3 ARG 15 2.734 -4.242 -7.731 591 HG2 ARG 15 HG2 ARG 15 1.408 -6.167 -7.335 592 HG3 ARG 15 HG3 ARG 15 1.071 -6.398 -9.055 593 HD2 ARG 15 HD2 ARG 15 3.304 -7.106 -9.500 594 HD3 ARG 15 HD3 ARG 15 3.859 -6.598 -7.904 595 HE ARG 15 HE ARG 15 1.854 -8.737 -8.060 596 HH11 ARG 15 HH11 ARG 15 5.214 -7.865 -7.525 597 HH12 ARG 15 HH12 ARG 15 5.614 -9.382 -6.793 598 HH21 ARG 15 HH21 ARG 15 2.417 -10.739 -7.084 599 HH22 ARG 15 HH22 ARG 15 4.042 -10.975 -6.519 600 H PHE 16 H PHE 16 0.683 -1.672 -7.423 601 HA PHE 16 HA PHE 16 2.506 0.101 -8.929 602 HB2 PHE 16 HB2 PHE 16 1.266 2.014 -7.952 603 HB3 PHE 16 HB3 PHE 16 0.251 1.006 -8.965 604 HD1 PHE 16 HD1 PHE 16 0.950 2.005 -5.449 605 HD2 PHE 16 HD2 PHE 16 -1.694 -0.114 -8.060 606 HE1 PHE 16 HE1 PHE 16 -0.747 1.908 -3.669 607 HE2 PHE 16 HE2 PHE 16 -3.381 -0.193 -6.273 608 HZ PHE 16 HZ PHE 16 -2.913 0.818 -4.078 609 H ARG 17 H ARG 17 3.550 1.701 -7.592 610 HA ARG 17 HA ARG 17 4.070 1.006 -4.779 611 HB2 ARG 17 HB2 ARG 17 6.514 1.340 -5.144 612 HB3 ARG 17 HB3 ARG 17 5.889 -0.049 -6.019 613 HG2 ARG 17 HG2 ARG 17 5.901 1.231 -8.113 614 HG3 ARG 17 HG3 ARG 17 6.474 2.661 -7.249 615 HD2 ARG 17 HD2 ARG 17 8.585 1.656 -6.786 616 HD3 ARG 17 HD3 ARG 17 8.018 0.051 -7.260 617 HE ARG 17 HE ARG 17 8.396 2.295 -9.168 618 HH11 ARG 17 HH11 ARG 17 8.703 -1.119 -8.387 619 HH12 ARG 17 HH12 ARG 17 9.370 -1.525 -9.935 620 HH21 ARG 17 HH21 ARG 17 9.254 1.730 -11.194 621 HH22 ARG 17 HH22 ARG 17 9.675 0.078 -11.520 622 H PHE 18 H PHE 18 5.314 2.788 -3.701 623 HA PHE 18 HA PHE 18 4.869 5.465 -4.901 624 HB2 PHE 18 HB2 PHE 18 3.210 5.088 -3.077 625 HB3 PHE 18 HB3 PHE 18 4.517 4.695 -1.973 626 HD1 PHE 18 HD1 PHE 18 4.064 7.543 -4.409 627 HD2 PHE 18 HD2 PHE 18 4.537 6.335 -0.335 628 HE1 PHE 18 HE1 PHE 18 4.089 9.896 -3.698 629 HE2 PHE 18 HE2 PHE 18 4.536 8.683 0.368 630 HZ PHE 18 HZ PHE 18 4.343 10.459 -1.319 631 H LYS 19 H LYS 19 6.498 6.845 -4.673 632 HA LYS 19 HA LYS 19 9.117 5.782 -3.846 633 HB2 LYS 19 HB2 LYS 19 8.324 8.242 -5.496 634 HB3 LYS 19 HB3 LYS 19 9.977 7.686 -5.205 635 HG2 LYS 19 HG2 LYS 19 7.827 6.069 -6.635 636 HG3 LYS 19 HG3 LYS 19 9.101 6.993 -7.441 637 HD2 LYS 19 HD2 LYS 19 9.676 4.742 -5.451 638 HD3 LYS 19 HD3 LYS 19 9.560 4.486 -7.193 639 HE2 LYS 19 HE2 LYS 19 11.431 6.573 -6.116 640 HE3 LYS 19 HE3 LYS 19 11.919 4.894 -6.093 641 HZ1 LYS 19 HZ1 LYS 19 12.660 6.062 -8.088 642 HZ2 LYS 19 HZ2 LYS 19 11.056 6.403 -8.498 643 HZ3 LYS 19 HZ3 LYS 19 11.601 4.805 -8.473 644 H ALA 20 H ALA 20 10.558 7.772 -3.141 645 HA ALA 20 HA ALA 20 9.233 9.420 -1.086 646 HB1 ALA 20 HB1 ALA 20 10.246 7.474 0.067 647 HB2 ALA 20 HB2 ALA 20 11.095 8.962 0.486 648 HB3 ALA 20 HB3 ALA 20 11.807 7.835 -0.672 649 H SER 21 H SER 21 10.464 11.337 -0.540 650 HA SER 21 HA SER 21 11.301 12.829 -2.663 651 HB2 SER 21 HB2 SER 21 12.042 13.319 0.239 652 HB3 SER 21 HB3 SER 21 11.990 14.533 -1.042 653 HG SER 21 HG SER 21 10.046 14.705 -0.102 654 H ASN 22 H ASN 22 13.378 10.700 -0.819 655 HA ASN 22 HA ASN 22 15.874 11.799 -1.816 656 HB2 ASN 22 HB2 ASN 22 16.968 9.966 -0.645 657 HB3 ASN 22 HB3 ASN 22 15.786 10.731 0.410 658 HD21 ASN 22 HD21 ASN 22 16.982 8.032 0.361 659 HD22 ASN 22 HD22 ASN 22 15.646 6.960 0.371 660 H GLY 23 H GLY 23 13.499 9.877 -3.167 661 HA2 GLY 23 HA2 GLY 23 13.336 8.759 -5.158 662 HA3 GLY 23 HA3 GLY 23 15.049 8.982 -5.426 663 H GLU 24 H GLU 24 12.889 7.275 -3.195 664 HA GLU 24 HA GLU 24 14.065 4.702 -3.958 665 HB2 GLU 24 HB2 GLU 24 14.529 3.936 -1.749 666 HB3 GLU 24 HB3 GLU 24 15.254 5.538 -1.810 667 HG2 GLU 24 HG2 GLU 24 13.558 6.486 -0.433 668 HG3 GLU 24 HG3 GLU 24 12.473 5.125 -0.669 669 H THR 25 H THR 25 12.622 2.931 -3.484 670 HA THR 25 HA THR 25 9.799 3.692 -3.247 671 HB THR 25 HB THR 25 11.083 1.004 -3.858 672 HG1 THR 25 HG1 THR 25 11.419 2.483 -5.513 673 HG21 THR 25 HG21 THR 25 8.853 0.283 -4.622 674 HG22 THR 25 HG22 THR 25 8.171 1.829 -4.116 675 HG23 THR 25 HG23 THR 25 8.812 0.711 -2.909 676 H MET 26 H MET 26 8.560 3.152 -1.622 677 HA MET 26 HA MET 26 9.769 2.035 0.860 678 HB2 MET 26 HB2 MET 26 8.105 3.630 2.045 679 HB3 MET 26 HB3 MET 26 9.550 4.313 1.321 680 HG2 MET 26 HG2 MET 26 7.627 5.717 0.888 681 HG3 MET 26 HG3 MET 26 8.246 5.052 -0.625 682 HE1 MET 26 HE1 MET 26 4.417 3.662 1.499 683 HE2 MET 26 HE2 MET 26 5.496 4.927 2.090 684 HE3 MET 26 HE3 MET 26 6.022 3.242 2.090 685 H PHE 27 H PHE 27 6.865 2.018 -1.170 686 HA PHE 27 HA PHE 27 6.381 -0.656 -0.096 687 HB2 PHE 27 HB2 PHE 27 4.164 -0.436 0.587 688 HB3 PHE 27 HB3 PHE 27 4.759 1.141 1.052 689 HD1 PHE 27 HD1 PHE 27 2.585 -0.722 -1.324 690 HD2 PHE 27 HD2 PHE 27 3.942 3.122 -0.079 691 HE1 PHE 27 HE1 PHE 27 0.800 0.379 -2.641 692 HE2 PHE 27 HE2 PHE 27 2.196 4.210 -1.323 693 HZ PHE 27 HZ PHE 27 0.589 2.844 -2.641 694 H SER 28 H SER 28 5.013 -1.894 -1.432 695 HA SER 28 HA SER 28 4.178 -1.130 -4.066 696 HB2 SER 28 HB2 SER 28 5.730 -2.588 -5.359 697 HB3 SER 28 HB3 SER 28 6.631 -1.339 -4.502 698 HG SER 28 HG SER 28 6.443 -3.422 -2.886 699 H SER 29 H SER 29 3.433 -3.196 -5.320 700 HA SER 29 HA SER 29 2.904 -5.341 -5.651 701 HB2 SER 29 HB2 SER 29 4.189 -7.111 -4.474 702 HB3 SER 29 HB3 SER 29 5.230 -5.804 -5.022 703 HG SER 29 HG SER 29 4.237 -5.655 -2.402 704 H GLU 30 H GLU 30 1.266 -3.763 -3.959 705 HA GLU 30 HA GLU 30 -0.193 -5.318 -2.160 706 HB2 GLU 30 HB2 GLU 30 -2.216 -3.853 -3.274 707 HB3 GLU 30 HB3 GLU 30 -1.112 -3.227 -2.073 708 HG2 GLU 30 HG2 GLU 30 -1.567 -1.673 -3.966 709 HG3 GLU 30 HG3 GLU 30 0.135 -2.005 -3.678 710 H GLY 31 H GLY 31 -0.372 -5.212 -5.767 711 HA2 GLY 31 HA2 GLY 31 -1.160 -6.716 -7.258 712 HA3 GLY 31 HA3 GLY 31 -1.153 -7.924 -5.975 713 H TYR 32 H TYR 32 -3.026 -4.944 -6.863 714 HA TYR 32 HA TYR 32 -5.032 -5.708 -4.932 715 HB2 TYR 32 HB2 TYR 32 -4.295 -3.317 -5.277 716 HB3 TYR 32 HB3 TYR 32 -5.113 -3.329 -6.837 717 HD1 TYR 32 HD1 TYR 32 -6.119 -4.642 -3.449 718 HD2 TYR 32 HD2 TYR 32 -7.051 -1.943 -6.641 719 HE1 TYR 32 HE1 TYR 32 -8.195 -4.003 -2.303 720 HE2 TYR 32 HE2 TYR 32 -9.131 -1.311 -5.488 721 HH TYR 32 HH TYR 32 -9.769 -2.183 -2.230 722 H LYS 33 H LYS 33 -5.158 -5.084 -8.485 723 HA LYS 33 HA LYS 33 -6.824 -7.338 -9.008 724 HB2 LYS 33 HB2 LYS 33 -8.529 -5.882 -7.926 725 HB3 LYS 33 HB3 LYS 33 -8.208 -4.620 -9.099 726 HG2 LYS 33 HG2 LYS 33 -10.268 -5.761 -9.656 727 HG3 LYS 33 HG3 LYS 33 -9.061 -6.079 -10.906 728 HD2 LYS 33 HD2 LYS 33 -8.622 -8.303 -9.924 729 HD3 LYS 33 HD3 LYS 33 -9.794 -7.979 -8.642 730 HE2 LYS 33 HE2 LYS 33 -11.615 -7.918 -10.270 731 HE3 LYS 33 HE3 LYS 33 -10.470 -8.085 -11.605 732 HZ1 LYS 33 HZ1 LYS 33 -11.540 -10.177 -11.080 733 HZ2 LYS 33 HZ2 LYS 33 -10.965 -10.103 -9.493 734 HZ3 LYS 33 HZ3 LYS 33 -9.880 -10.270 -10.775 735 H ALA 34 H ALA 34 -6.780 -4.056 -10.463 736 HA ALA 34 HA ALA 34 -5.290 -4.926 -12.812 737 HB1 ALA 34 HB1 ALA 34 -8.193 -4.052 -13.060 738 HB2 ALA 34 HB2 ALA 34 -7.572 -5.672 -13.373 739 HB3 ALA 34 HB3 ALA 34 -7.087 -4.327 -14.405 740 H LYS 35 H LYS 35 -5.555 -2.721 -14.510 741 HA LYS 35 HA LYS 35 -4.098 -0.802 -13.073 742 HB2 LYS 35 HB2 LYS 35 -4.039 0.488 -15.154 743 HB3 LYS 35 HB3 LYS 35 -3.727 -1.208 -15.456 744 HG2 LYS 35 HG2 LYS 35 -5.084 -0.727 -17.256 745 HG3 LYS 35 HG3 LYS 35 -6.301 -1.270 -16.103 746 HD2 LYS 35 HD2 LYS 35 -6.690 1.178 -15.514 747 HD3 LYS 35 HD3 LYS 35 -5.616 1.604 -16.847 748 HE2 LYS 35 HE2 LYS 35 -8.195 0.018 -17.118 749 HE3 LYS 35 HE3 LYS 35 -8.020 1.738 -17.462 750 HZ1 LYS 35 HZ1 LYS 35 -6.594 -0.455 -18.867 751 HZ2 LYS 35 HZ2 LYS 35 -6.459 1.198 -19.210 752 HZ3 LYS 35 HZ3 LYS 35 -7.928 0.399 -19.457 753 H ALA 36 H ALA 36 -7.468 -0.744 -14.272 754 HA ALA 36 HA ALA 36 -8.211 1.820 -13.497 755 HB1 ALA 36 HB1 ALA 36 -10.543 1.005 -13.530 756 HB2 ALA 36 HB2 ALA 36 -9.968 -0.665 -13.508 757 HB3 ALA 36 HB3 ALA 36 -9.626 0.365 -14.896 758 H SER 37 H SER 37 -8.294 -1.192 -11.603 759 HA SER 37 HA SER 37 -9.295 -0.043 -9.185 760 HB2 SER 37 HB2 SER 37 -7.791 -2.659 -9.631 761 HB3 SER 37 HB3 SER 37 -8.671 -2.212 -8.163 762 HG SER 37 HG SER 37 -10.309 -3.085 -9.125 763 H ALA 38 H ALA 38 -6.107 -0.375 -10.603 764 HA ALA 38 HA ALA 38 -4.541 -0.061 -8.254 765 HB1 ALA 38 HB1 ALA 38 -3.787 0.545 -11.133 766 HB2 ALA 38 HB2 ALA 38 -3.586 -1.003 -10.314 767 HB3 ALA 38 HB3 ALA 38 -2.662 0.402 -9.778 768 H ILE 39 H ILE 39 -5.298 2.305 -10.896 769 HA ILE 39 HA ILE 39 -4.554 4.656 -9.683 770 HB ILE 39 HB ILE 39 -6.786 4.080 -11.676 771 HG12 ILE 39 HG12 ILE 39 -5.284 5.547 -13.185 772 HG13 ILE 39 HG13 ILE 39 -4.074 5.475 -11.912 773 HG21 ILE 39 HG21 ILE 39 -7.636 5.998 -10.436 774 HG22 ILE 39 HG22 ILE 39 -7.117 6.523 -12.035 775 HG23 ILE 39 HG23 ILE 39 -6.104 6.854 -10.629 776 HD11 ILE 39 HD11 ILE 39 -5.175 3.129 -13.452 777 HD12 ILE 39 HD12 ILE 39 -3.934 3.055 -12.198 778 HD13 ILE 39 HD13 ILE 39 -3.616 3.913 -13.707 779 H HIS 40 H HIS 40 -7.726 3.004 -9.400 780 HA HIS 40 HA HIS 40 -9.022 4.924 -7.810 781 HB2 HIS 40 HB2 HIS 40 -9.540 2.014 -8.391 782 HB3 HIS 40 HB3 HIS 40 -10.450 2.779 -7.091 783 HD1 HIS 40 HD1 HIS 40 -12.632 3.619 -7.868 784 HD2 HIS 40 HD2 HIS 40 -9.771 3.870 -10.863 785 HE1 HIS 40 HE1 HIS 40 -13.817 4.590 -9.850 786 HE2 HIS 40 HE2 HIS 40 -12.122 4.506 -11.706 787 H ALA 41 H ALA 41 -7.143 2.043 -6.810 788 HA ALA 41 HA ALA 41 -7.415 2.293 -4.052 789 HB1 ALA 41 HB1 ALA 41 -5.341 0.964 -3.909 790 HB2 ALA 41 HB2 ALA 41 -5.011 1.278 -5.618 791 HB3 ALA 41 HB3 ALA 41 -6.416 0.319 -5.155 792 H ILE 42 H ILE 42 -4.860 3.562 -6.198 793 HA ILE 42 HA ILE 42 -3.445 5.111 -4.369 794 HB ILE 42 HB ILE 42 -3.864 5.545 -7.350 795 HG12 ILE 42 HG12 ILE 42 -1.495 4.281 -5.900 796 HG13 ILE 42 HG13 ILE 42 -2.828 3.351 -6.573 797 HG21 ILE 42 HG21 ILE 42 -3.071 7.642 -6.354 798 HG22 ILE 42 HG22 ILE 42 -1.794 6.909 -7.322 799 HG23 ILE 42 HG23 ILE 42 -1.744 6.793 -5.562 800 HD11 ILE 42 HD11 ILE 42 -0.895 3.366 -8.014 801 HD12 ILE 42 HD12 ILE 42 -0.979 5.121 -8.141 802 HD13 ILE 42 HD13 ILE 42 -2.288 4.120 -8.786 803 H GLU 43 H GLU 43 -6.534 5.781 -5.917 804 HA GLU 43 HA GLU 43 -6.574 8.600 -5.523 805 HB2 GLU 43 HB2 GLU 43 -8.874 6.653 -5.922 806 HB3 GLU 43 HB3 GLU 43 -9.098 8.396 -5.788 807 HG2 GLU 43 HG2 GLU 43 -7.582 8.659 -7.786 808 HG3 GLU 43 HG3 GLU 43 -7.605 6.911 -7.966 809 H SER 44 H SER 44 -7.505 5.833 -3.459 810 HA SER 44 HA SER 44 -8.605 7.152 -1.252 811 HB2 SER 44 HB2 SER 44 -6.706 4.786 -1.421 812 HB3 SER 44 HB3 SER 44 -7.339 5.325 0.133 813 HG SER 44 HG SER 44 -8.712 4.264 -2.112 814 H ILE 45 H ILE 45 -5.234 6.909 -2.283 815 HA ILE 45 HA ILE 45 -4.132 7.951 0.138 816 HB ILE 45 HB ILE 45 -2.538 8.130 -2.457 817 HG12 ILE 45 HG12 ILE 45 -3.678 5.801 -2.380 818 HG13 ILE 45 HG13 ILE 45 -1.921 5.807 -2.479 819 HG21 ILE 45 HG21 ILE 45 -1.889 7.401 0.425 820 HG22 ILE 45 HG22 ILE 45 -1.590 8.961 -0.363 821 HG23 ILE 45 HG23 ILE 45 -0.701 7.532 -0.890 822 HD11 ILE 45 HD11 ILE 45 -3.556 5.343 0.005 823 HD12 ILE 45 HD12 ILE 45 -1.793 5.315 -0.093 824 HD13 ILE 45 HD13 ILE 45 -2.745 4.115 -0.960 825 H LYS 46 H LYS 46 -4.770 9.246 -3.135 826 HA LYS 46 HA LYS 46 -3.770 11.801 -2.828 827 HB2 LYS 46 HB2 LYS 46 -6.146 11.215 -4.629 828 HB3 LYS 46 HB3 LYS 46 -4.846 12.372 -4.875 829 HG2 LYS 46 HG2 LYS 46 -4.845 9.387 -5.309 830 HG3 LYS 46 HG3 LYS 46 -4.409 10.673 -6.434 831 HD2 LYS 46 HD2 LYS 46 -2.778 9.877 -3.982 832 HD3 LYS 46 HD3 LYS 46 -2.459 9.314 -5.618 833 HE2 LYS 46 HE2 LYS 46 -2.477 12.244 -4.897 834 HE3 LYS 46 HE3 LYS 46 -1.055 11.236 -4.767 835 HZ1 LYS 46 HZ1 LYS 46 -1.162 10.773 -7.103 836 HZ2 LYS 46 HZ2 LYS 46 -1.216 12.448 -6.883 837 HZ3 LYS 46 HZ3 LYS 46 -2.625 11.604 -7.249 838 H ARG 47 H ARG 47 -6.640 10.501 -1.596 839 HA ARG 47 HA ARG 47 -8.329 12.752 -1.415 840 HB2 ARG 47 HB2 ARG 47 -8.198 10.242 0.303 841 HB3 ARG 47 HB3 ARG 47 -9.421 11.484 0.534 842 HG2 ARG 47 HG2 ARG 47 -9.023 9.881 -2.002 843 HG3 ARG 47 HG3 ARG 47 -10.263 9.580 -0.786 844 HD2 ARG 47 HD2 ARG 47 -9.988 12.121 -2.440 845 HD3 ARG 47 HD3 ARG 47 -11.154 10.826 -2.729 846 HE ARG 47 HE ARG 47 -12.066 11.344 -0.479 847 HH11 ARG 47 HH11 ARG 47 -10.397 13.893 -2.240 848 HH12 ARG 47 HH12 ARG 47 -11.226 15.158 -1.394 849 HH21 ARG 47 HH21 ARG 47 -13.076 13.009 0.632 850 HH22 ARG 47 HH22 ARG 47 -12.730 14.661 0.232 851 H ASN 48 H ASN 48 -6.604 11.349 1.456 852 HA ASN 48 HA ASN 48 -5.569 13.880 2.350 853 HB2 ASN 48 HB2 ASN 48 -8.016 14.102 2.934 854 HB3 ASN 48 HB3 ASN 48 -7.900 12.641 3.903 855 HD21 ASN 48 HD21 ASN 48 -8.449 13.600 5.841 856 HD22 ASN 48 HD22 ASN 48 -7.460 14.763 6.647 857 H SER 49 H SER 49 -4.673 11.091 1.781 858 HA SER 49 HA SER 49 -4.407 9.533 4.145 859 HB2 SER 49 HB2 SER 49 -4.213 8.605 1.863 860 HB3 SER 49 HB3 SER 49 -2.681 9.450 1.651 861 HG SER 49 HG SER 49 -2.950 7.084 2.565 862 H ALA 50 H ALA 50 -2.323 12.045 2.755 863 HA ALA 50 HA ALA 50 -0.136 11.847 4.469 864 HB1 ALA 50 HB1 ALA 50 -0.196 13.310 2.493 865 HB2 ALA 50 HB2 ALA 50 0.291 14.206 3.934 866 HB3 ALA 50 HB3 ALA 50 -1.351 14.370 3.303 867 H GLY 51 H GLY 51 -3.326 13.232 5.019 868 HA2 GLY 51 HA2 GLY 51 -2.677 14.043 7.771 869 HA3 GLY 51 HA3 GLY 51 -4.140 14.427 6.882 870 H ALA 52 H ALA 52 -3.675 11.189 6.303 871 HA ALA 52 HA ALA 52 -5.676 10.192 8.017 872 HB1 ALA 52 HB1 ALA 52 -4.981 7.951 7.244 873 HB2 ALA 52 HB2 ALA 52 -3.490 8.634 6.583 874 HB3 ALA 52 HB3 ALA 52 -5.050 9.093 5.897 875 H ASP 53 H ASP 53 -5.131 8.096 9.403 876 HA ASP 53 HA ASP 53 -3.079 8.859 11.402 877 HB2 ASP 53 HB2 ASP 53 -5.449 8.786 12.213 878 HB3 ASP 53 HB3 ASP 53 -5.538 7.086 11.755 879 H THR 54 H THR 54 -1.810 7.140 12.366 880 HA THR 54 HA THR 54 -1.499 4.716 10.667 881 HB THR 54 HB THR 54 0.695 6.137 12.251 882 HG1 THR 54 HG1 THR 54 1.356 6.867 10.135 883 HG21 THR 54 HG21 THR 54 1.217 3.767 11.830 884 HG22 THR 54 HG22 THR 54 2.231 4.794 10.805 885 HG23 THR 54 HG23 THR 54 0.830 3.967 10.121 886 H VAL 55 H VAL 55 -2.293 3.025 11.706 887 HA VAL 55 HA VAL 55 -2.188 2.751 14.659 888 HB VAL 55 HB VAL 55 -4.077 1.351 12.705 889 HG11 VAL 55 HG11 VAL 55 -4.133 1.435 15.750 890 HG12 VAL 55 HG12 VAL 55 -3.714 0.043 14.751 891 HG13 VAL 55 HG13 VAL 55 -5.357 0.681 14.718 892 HG21 VAL 55 HG21 VAL 55 -5.852 2.852 13.547 893 HG22 VAL 55 HG22 VAL 55 -4.566 3.751 12.742 894 HG23 VAL 55 HG23 VAL 55 -4.657 3.736 14.505 895 H ASP 56 H ASP 56 -0.971 1.092 15.469 896 HA ASP 56 HA ASP 56 -0.001 -1.060 13.667 897 HB2 ASP 56 HB2 ASP 56 1.752 0.310 14.740 898 HB3 ASP 56 HB3 ASP 56 1.118 -0.101 16.330 899 H LEU 57 H LEU 57 -1.232 -2.788 13.767 900 HA LEU 57 HA LEU 57 -2.702 -3.683 16.092 901 HB2 LEU 57 HB2 LEU 57 -2.319 -5.067 13.411 902 HB3 LEU 57 HB3 LEU 57 -3.557 -5.429 14.609 903 HG LEU 57 HG LEU 57 -3.365 -2.825 13.040 904 HD11 LEU 57 HD11 LEU 57 -3.929 -4.658 11.553 905 HD12 LEU 57 HD12 LEU 57 -5.341 -3.634 11.808 906 HD13 LEU 57 HD13 LEU 57 -5.221 -5.186 12.640 907 HD21 LEU 57 HD21 LEU 57 -5.620 -2.359 13.933 908 HD22 LEU 57 HD22 LEU 57 -4.425 -2.480 15.222 909 HD23 LEU 57 HD23 LEU 57 -5.537 -3.820 14.924 910 H THR 58 H THR 58 0.506 -4.397 14.840 911 HA THR 58 HA THR 58 0.411 -7.220 15.653 912 HB THR 58 HB THR 58 1.478 -6.864 13.537 913 HG1 THR 58 HG1 THR 58 2.517 -8.311 15.279 914 HG21 THR 58 HG21 THR 58 3.533 -5.584 13.203 915 HG22 THR 58 HG22 THR 58 3.501 -5.055 14.887 916 HG23 THR 58 HG23 THR 58 2.233 -4.535 13.775 917 H THR 59 H THR 59 0.723 -4.547 17.408 918 HA THR 59 HA THR 59 2.979 -4.956 19.050 919 HB THR 59 HB THR 59 0.802 -3.864 20.623 920 HG1 THR 59 HG1 THR 59 1.068 -2.521 18.140 921 HG21 THR 59 HG21 THR 59 2.130 -1.795 20.574 922 HG22 THR 59 HG22 THR 59 3.126 -2.453 19.274 923 HG23 THR 59 HG23 THR 59 3.167 -3.191 20.878 924 H MET 60 H MET 60 -0.018 -6.668 18.838 925 HA MET 60 HA MET 60 0.604 -8.324 21.196 926 HB2 MET 60 HB2 MET 60 -1.648 -9.409 20.666 927 HB3 MET 60 HB3 MET 60 -1.712 -7.727 21.163 928 HG2 MET 60 HG2 MET 60 -2.015 -7.035 18.820 929 HG3 MET 60 HG3 MET 60 -1.933 -8.721 18.309 930 HE1 MET 60 HE1 MET 60 -4.335 -6.590 17.649 931 HE2 MET 60 HE2 MET 60 -5.732 -7.654 17.817 932 HE3 MET 60 HE3 MET 60 -4.284 -8.234 16.996 933 H THR 61 H THR 61 2.558 -9.142 20.198 934 HA THR 61 HA THR 61 2.431 -10.777 17.807 935 HB THR 61 HB THR 61 4.851 -11.405 18.501 936 HG1 THR 61 HG1 THR 61 5.727 -10.401 20.202 937 HG21 THR 61 HG21 THR 61 5.792 -9.254 17.780 938 HG22 THR 61 HG22 THR 61 4.234 -8.470 18.040 939 HG23 THR 61 HG23 THR 61 4.404 -9.699 16.785 940 H ALA 62 H ALA 62 3.205 -11.434 21.220 941 HA ALA 62 HA ALA 62 1.813 -13.977 21.232 942 HB1 ALA 62 HB1 ALA 62 3.814 -15.332 21.821 943 HB2 ALA 62 HB2 ALA 62 4.850 -13.929 21.555 944 HB3 ALA 62 HB3 ALA 62 3.967 -14.640 20.203 Start of MODEL 19 1 H MET 1 H MET 1 -11.115 7.509 11.824 2 HA MET 1 HA MET 1 -11.752 8.448 9.096 3 HB2 MET 1 HB2 MET 1 -10.679 10.190 10.543 4 HB3 MET 1 HB3 MET 1 -9.340 9.095 10.855 5 HG2 MET 1 HG2 MET 1 -8.748 9.138 8.464 6 HG3 MET 1 HG3 MET 1 -10.092 10.235 8.152 7 HE1 MET 1 HE1 MET 1 -10.027 12.227 10.638 8 HE2 MET 1 HE2 MET 1 -10.182 12.772 8.966 9 HE3 MET 1 HE3 MET 1 -8.966 13.493 10.021 10 H TYR 2 H TYR 2 -10.453 7.579 7.469 11 HA TYR 2 HA TYR 2 -9.509 4.921 7.796 12 HB2 TYR 2 HB2 TYR 2 -8.574 5.385 5.366 13 HB3 TYR 2 HB3 TYR 2 -10.297 5.234 5.653 14 HD1 TYR 2 HD1 TYR 2 -7.587 7.647 4.883 15 HD2 TYR 2 HD2 TYR 2 -11.797 7.119 5.346 16 HE1 TYR 2 HE1 TYR 2 -7.984 9.818 3.800 17 HE2 TYR 2 HE2 TYR 2 -12.197 9.281 4.267 18 HH TYR 2 HH TYR 2 -10.908 11.437 3.942 19 H LYS 3 H LYS 3 -7.276 4.208 7.220 20 HA LYS 3 HA LYS 3 -5.108 5.761 8.162 21 HB2 LYS 3 HB2 LYS 3 -4.959 4.447 10.446 22 HB3 LYS 3 HB3 LYS 3 -5.958 5.879 10.335 23 HG2 LYS 3 HG2 LYS 3 -7.117 4.220 11.630 24 HG3 LYS 3 HG3 LYS 3 -7.977 4.427 10.103 25 HD2 LYS 3 HD2 LYS 3 -7.044 2.343 9.239 26 HD3 LYS 3 HD3 LYS 3 -6.005 2.176 10.661 27 HE2 LYS 3 HE2 LYS 3 -7.881 0.688 10.918 28 HE3 LYS 3 HE3 LYS 3 -8.071 2.001 12.075 29 HZ1 LYS 3 HZ1 LYS 3 -9.654 3.028 10.598 30 HZ2 LYS 3 HZ2 LYS 3 -10.126 1.449 10.960 31 HZ3 LYS 3 HZ3 LYS 3 -9.443 1.794 9.459 32 H PHE 4 H PHE 4 -3.372 4.184 9.126 33 HA PHE 4 HA PHE 4 -3.044 2.014 7.159 34 HB2 PHE 4 HB2 PHE 4 -1.013 3.710 8.668 35 HB3 PHE 4 HB3 PHE 4 -0.569 2.274 7.747 36 HD1 PHE 4 HD1 PHE 4 -2.044 5.696 7.443 37 HD2 PHE 4 HD2 PHE 4 -0.365 2.346 5.369 38 HE1 PHE 4 HE1 PHE 4 -1.902 7.030 5.383 39 HE2 PHE 4 HE2 PHE 4 -0.235 3.690 3.316 40 HZ PHE 4 HZ PHE 4 -1.001 6.026 3.321 41 H GLU 5 H GLU 5 -3.382 0.091 7.921 42 HA GLU 5 HA GLU 5 -3.173 -0.501 10.807 43 HB2 GLU 5 HB2 GLU 5 -4.553 -1.961 8.525 44 HB3 GLU 5 HB3 GLU 5 -4.354 -2.678 10.116 45 HG2 GLU 5 HG2 GLU 5 -5.711 -0.921 11.124 46 HG3 GLU 5 HG3 GLU 5 -5.835 -0.094 9.566 47 H ILE 6 H ILE 6 -1.226 -1.280 11.425 48 HA ILE 6 HA ILE 6 0.548 -2.599 9.479 49 HB ILE 6 HB ILE 6 1.277 -1.548 12.251 50 HG12 ILE 6 HG12 ILE 6 1.803 -0.077 9.631 51 HG13 ILE 6 HG13 ILE 6 0.411 0.267 10.656 52 HG21 ILE 6 HG21 ILE 6 3.621 -1.672 11.418 53 HG22 ILE 6 HG22 ILE 6 3.045 -2.290 9.869 54 HG23 ILE 6 HG23 ILE 6 2.832 -3.255 11.334 55 HD11 ILE 6 HD11 ILE 6 2.196 1.833 11.050 56 HD12 ILE 6 HD12 ILE 6 3.300 0.521 11.443 57 HD13 ILE 6 HD13 ILE 6 1.917 0.856 12.490 58 H TYR 7 H TYR 7 0.551 -4.740 9.646 59 HA TYR 7 HA TYR 7 0.470 -5.972 12.311 60 HB2 TYR 7 HB2 TYR 7 -1.098 -7.706 11.557 61 HB3 TYR 7 HB3 TYR 7 -1.839 -6.117 11.453 62 HD1 TYR 7 HD1 TYR 7 -2.119 -5.022 9.163 63 HD2 TYR 7 HD2 TYR 7 -0.875 -9.095 9.581 64 HE1 TYR 7 HE1 TYR 7 -2.710 -5.448 6.822 65 HE2 TYR 7 HE2 TYR 7 -1.468 -9.510 7.239 66 HH TYR 7 HH TYR 7 -2.904 -8.611 5.526 67 H GLN 8 H GLN 8 0.983 -8.362 12.017 68 HA GLN 8 HA GLN 8 2.757 -8.854 9.703 69 HB2 GLN 8 HB2 GLN 8 4.353 -10.007 10.955 70 HB3 GLN 8 HB3 GLN 8 3.925 -8.701 12.048 71 HG2 GLN 8 HG2 GLN 8 2.331 -10.396 13.155 72 HG3 GLN 8 HG3 GLN 8 3.178 -11.622 12.227 73 HE21 GLN 8 HE21 GLN 8 5.459 -11.903 12.619 74 HE22 GLN 8 HE22 GLN 8 6.143 -11.485 14.144 75 H ASP 9 H ASP 9 2.594 -10.908 8.851 76 HA ASP 9 HA ASP 9 -0.048 -12.081 8.953 77 HB2 ASP 9 HB2 ASP 9 1.043 -11.568 6.789 78 HB3 ASP 9 HB3 ASP 9 2.403 -12.601 7.205 79 H LYS 10 H LYS 10 -0.235 -14.505 9.091 80 HA LYS 10 HA LYS 10 0.746 -15.540 11.458 81 HB2 LYS 10 HB2 LYS 10 -0.304 -17.598 10.964 82 HB3 LYS 10 HB3 LYS 10 -1.266 -16.402 10.117 83 HG2 LYS 10 HG2 LYS 10 0.859 -18.047 8.716 84 HG3 LYS 10 HG3 LYS 10 -0.788 -18.636 8.930 85 HD2 LYS 10 HD2 LYS 10 -0.052 -16.062 7.495 86 HD3 LYS 10 HD3 LYS 10 -0.336 -17.602 6.686 87 HE2 LYS 10 HE2 LYS 10 -2.668 -17.596 7.534 88 HE3 LYS 10 HE3 LYS 10 -2.369 -16.046 8.322 89 HZ1 LYS 10 HZ1 LYS 10 -3.484 -15.737 6.225 90 HZ2 LYS 10 HZ2 LYS 10 -2.251 -16.555 5.401 91 HZ3 LYS 10 HZ3 LYS 10 -1.927 -15.076 6.151 92 H ALA 11 H ALA 11 2.072 -15.823 8.264 93 HA ALA 11 HA ALA 11 4.234 -17.617 8.742 94 HB1 ALA 11 HB1 ALA 11 3.998 -15.437 6.635 95 HB2 ALA 11 HB2 ALA 11 3.372 -17.082 6.492 96 HB3 ALA 11 HB3 ALA 11 5.113 -16.812 6.590 97 H GLY 12 H GLY 12 3.865 -14.850 10.373 98 HA2 GLY 12 HA2 GLY 12 5.149 -13.458 11.617 99 HA3 GLY 12 HA3 GLY 12 6.529 -14.456 11.206 100 H GLU 13 H GLU 13 4.466 -12.815 8.857 101 HA GLU 13 HA GLU 13 6.890 -11.375 7.865 102 HB2 GLU 13 HB2 GLU 13 4.513 -12.564 6.378 103 HB3 GLU 13 HB3 GLU 13 5.655 -11.461 5.613 104 HG2 GLU 13 HG2 GLU 13 6.338 -14.158 6.827 105 HG3 GLU 13 HG3 GLU 13 6.164 -13.806 5.104 106 H TYR 14 H TYR 14 6.728 -9.308 8.599 107 HA TYR 14 HA TYR 14 4.462 -7.867 9.134 108 HB2 TYR 14 HB2 TYR 14 7.185 -6.791 8.320 109 HB3 TYR 14 HB3 TYR 14 5.893 -5.794 8.991 110 HD1 TYR 14 HD1 TYR 14 4.976 -6.396 11.313 111 HD2 TYR 14 HD2 TYR 14 8.626 -8.028 9.808 112 HE1 TYR 14 HE1 TYR 14 5.630 -7.051 13.588 113 HE2 TYR 14 HE2 TYR 14 9.270 -8.684 12.080 114 HH TYR 14 HH TYR 14 7.084 -8.689 14.680 115 H ARG 15 H ARG 15 2.924 -7.128 8.045 116 HA ARG 15 HA ARG 15 3.211 -5.896 5.382 117 HB2 ARG 15 HB2 ARG 15 0.598 -7.086 5.288 118 HB3 ARG 15 HB3 ARG 15 1.969 -7.446 4.268 119 HG2 ARG 15 HG2 ARG 15 2.130 -8.920 6.796 120 HG3 ARG 15 HG3 ARG 15 0.600 -9.223 5.975 121 HD2 ARG 15 HD2 ARG 15 2.284 -10.870 5.316 122 HD3 ARG 15 HD3 ARG 15 1.815 -9.872 3.938 123 HE ARG 15 HE ARG 15 4.159 -8.936 5.334 124 HH11 ARG 15 HH11 ARG 15 3.109 -11.167 2.849 125 HH12 ARG 15 HH12 ARG 15 4.612 -11.092 1.988 126 HH21 ARG 15 HH21 ARG 15 6.096 -8.821 4.197 127 HH22 ARG 15 HH22 ARG 15 6.302 -9.759 2.753 128 H PHE 16 H PHE 16 2.134 -3.968 5.303 129 HA PHE 16 HA PHE 16 -0.134 -3.603 7.169 130 HB2 PHE 16 HB2 PHE 16 0.343 -1.228 7.371 131 HB3 PHE 16 HB3 PHE 16 1.720 -2.171 7.909 132 HD1 PHE 16 HD1 PHE 16 3.811 -2.204 6.561 133 HD2 PHE 16 HD2 PHE 16 0.517 0.305 5.504 134 HE1 PHE 16 HE1 PHE 16 5.303 -0.833 5.171 135 HE2 PHE 16 HE2 PHE 16 2.018 1.665 4.118 136 HZ PHE 16 HZ PHE 16 4.408 1.102 3.947 137 H ARG 17 H ARG 17 -1.521 -1.780 6.418 138 HA ARG 17 HA ARG 17 -2.008 -1.755 3.493 139 HB2 ARG 17 HB2 ARG 17 -4.336 -2.466 3.837 140 HB3 ARG 17 HB3 ARG 17 -3.258 -3.671 4.531 141 HG2 ARG 17 HG2 ARG 17 -3.649 -2.202 6.747 142 HG3 ARG 17 HG3 ARG 17 -5.139 -1.785 5.907 143 HD2 ARG 17 HD2 ARG 17 -4.253 -4.633 6.450 144 HD3 ARG 17 HD3 ARG 17 -5.262 -3.703 7.556 145 HE ARG 17 HE ARG 17 -6.439 -3.771 4.971 146 HH11 ARG 17 HH11 ARG 17 -5.883 -5.829 7.772 147 HH12 ARG 17 HH12 ARG 17 -7.251 -6.842 7.442 148 HH21 ARG 17 HH21 ARG 17 -8.233 -5.144 4.560 149 HH22 ARG 17 HH22 ARG 17 -8.572 -6.461 5.637 150 H PHE 18 H PHE 18 -3.767 -0.188 2.929 151 HA PHE 18 HA PHE 18 -4.248 1.928 4.963 152 HB2 PHE 18 HB2 PHE 18 -2.817 2.874 3.169 153 HB3 PHE 18 HB3 PHE 18 -3.964 2.329 1.953 154 HD1 PHE 18 HD1 PHE 18 -4.589 4.100 5.220 155 HD2 PHE 18 HD2 PHE 18 -4.728 4.309 0.952 156 HE1 PHE 18 HE1 PHE 18 -5.687 6.297 5.352 157 HE2 PHE 18 HE2 PHE 18 -5.807 6.511 1.087 158 HZ PHE 18 HZ PHE 18 -6.323 7.486 3.294 159 H LYS 19 H LYS 19 -6.304 2.454 5.250 160 HA LYS 19 HA LYS 19 -8.318 0.627 4.120 161 HB2 LYS 19 HB2 LYS 19 -8.308 2.294 6.689 162 HB3 LYS 19 HB3 LYS 19 -9.564 1.146 6.208 163 HG2 LYS 19 HG2 LYS 19 -6.653 0.448 6.776 164 HG3 LYS 19 HG3 LYS 19 -8.015 0.162 7.870 165 HD2 LYS 19 HD2 LYS 19 -7.843 -1.028 5.065 166 HD3 LYS 19 HD3 LYS 19 -7.264 -1.871 6.496 167 HE2 LYS 19 HE2 LYS 19 -10.120 -0.880 6.242 168 HE3 LYS 19 HE3 LYS 19 -9.606 -2.462 5.679 169 HZ1 LYS 19 HZ1 LYS 19 -10.476 -2.690 7.855 170 HZ2 LYS 19 HZ2 LYS 19 -9.506 -1.443 8.454 171 HZ3 LYS 19 HZ3 LYS 19 -8.802 -2.899 7.966 172 H ALA 20 H ALA 20 -10.598 1.653 4.387 173 HA ALA 20 HA ALA 20 -10.756 4.466 3.479 174 HB1 ALA 20 HB1 ALA 20 -12.627 3.921 2.020 175 HB2 ALA 20 HB2 ALA 20 -12.571 2.225 2.506 176 HB3 ALA 20 HB3 ALA 20 -11.245 2.919 1.571 177 H SER 21 H SER 21 -13.708 4.709 3.848 178 HA SER 21 HA SER 21 -13.218 5.433 6.611 179 HB2 SER 21 HB2 SER 21 -15.378 6.725 6.253 180 HB3 SER 21 HB3 SER 21 -14.096 7.161 5.124 181 HG SER 21 HG SER 21 -16.342 6.721 4.298 182 H ASN 22 H ASN 22 -15.065 3.105 4.692 183 HA ASN 22 HA ASN 22 -16.772 2.369 7.005 184 HB2 ASN 22 HB2 ASN 22 -17.097 1.448 4.116 185 HB3 ASN 22 HB3 ASN 22 -18.257 1.263 5.431 186 HD21 ASN 22 HD21 ASN 22 -16.891 3.428 3.083 187 HD22 ASN 22 HD22 ASN 22 -18.040 4.705 3.282 188 H GLY 23 H GLY 23 -13.815 1.512 6.073 189 HA2 GLY 23 HA2 GLY 23 -12.661 -0.248 7.108 190 HA3 GLY 23 HA3 GLY 23 -14.115 -1.218 7.105 191 H GLU 24 H GLU 24 -13.363 0.308 4.121 192 HA GLU 24 HA GLU 24 -12.756 -2.209 2.801 193 HB2 GLU 24 HB2 GLU 24 -12.652 0.645 1.717 194 HB3 GLU 24 HB3 GLU 24 -12.471 -0.802 0.745 195 HG2 GLU 24 HG2 GLU 24 -14.675 0.118 0.454 196 HG3 GLU 24 HG3 GLU 24 -14.780 -1.441 1.263 197 H THR 25 H THR 25 -10.741 -2.679 1.679 198 HA THR 25 HA THR 25 -8.395 -1.013 2.421 199 HB THR 25 HB THR 25 -8.374 -4.018 1.919 200 HG1 THR 25 HG1 THR 25 -9.386 -3.353 3.905 201 HG21 THR 25 HG21 THR 25 -6.224 -2.958 1.330 202 HG22 THR 25 HG22 THR 25 -6.061 -3.947 2.783 203 HG23 THR 25 HG23 THR 25 -6.170 -2.191 2.919 204 H MET 26 H MET 26 -7.137 -0.408 0.807 205 HA MET 26 HA MET 26 -7.952 -1.087 -1.967 206 HB2 MET 26 HB2 MET 26 -7.049 1.337 -2.452 207 HB3 MET 26 HB3 MET 26 -8.664 1.102 -1.810 208 HG2 MET 26 HG2 MET 26 -7.577 2.951 -0.698 209 HG3 MET 26 HG3 MET 26 -7.843 1.636 0.451 210 HE1 MET 26 HE1 MET 26 -3.802 2.760 -1.400 211 HE2 MET 26 HE2 MET 26 -5.328 3.596 -1.717 212 HE3 MET 26 HE3 MET 26 -5.064 1.958 -2.326 213 H PHE 27 H PHE 27 -5.179 -0.842 0.188 214 HA PHE 27 HA PHE 27 -4.020 -2.844 -1.467 215 HB2 PHE 27 HB2 PHE 27 -1.854 -1.858 -1.975 216 HB3 PHE 27 HB3 PHE 27 -3.143 -0.975 -2.755 217 HD1 PHE 27 HD1 PHE 27 -3.206 0.273 0.531 218 HD2 PHE 27 HD2 PHE 27 -0.769 0.272 -2.985 219 HE1 PHE 27 HE1 PHE 27 -2.253 2.447 1.157 220 HE2 PHE 27 HE2 PHE 27 0.145 2.448 -2.336 221 HZ PHE 27 HZ PHE 27 -0.596 3.531 -0.266 222 H SER 28 H SER 28 -1.829 -3.483 -0.689 223 HA SER 28 HA SER 28 -1.214 -3.434 2.107 224 HB2 SER 28 HB2 SER 28 -2.239 -5.681 2.704 225 HB3 SER 28 HB3 SER 28 -3.428 -4.420 2.397 226 HG SER 28 HG SER 28 -2.829 -6.701 0.930 227 H SER 29 H SER 29 0.063 -5.574 2.774 228 HA SER 29 HA SER 29 0.818 -7.686 2.351 229 HB2 SER 29 HB2 SER 29 0.434 -7.187 -0.631 230 HB3 SER 29 HB3 SER 29 0.858 -8.734 0.108 231 HG SER 29 HG SER 29 -1.193 -8.286 1.382 232 H GLU 30 H GLU 30 2.285 -4.871 1.787 233 HA GLU 30 HA GLU 30 4.850 -6.032 0.926 234 HB2 GLU 30 HB2 GLU 30 4.119 -3.871 -0.102 235 HB3 GLU 30 HB3 GLU 30 4.133 -3.120 1.487 236 HG2 GLU 30 HG2 GLU 30 6.150 -2.481 0.366 237 HG3 GLU 30 HG3 GLU 30 6.586 -3.598 1.646 238 H GLY 31 H GLY 31 4.356 -3.461 3.356 239 HA2 GLY 31 HA2 GLY 31 4.784 -3.504 5.693 240 HA3 GLY 31 HA3 GLY 31 5.480 -5.104 5.533 241 H TYR 32 H TYR 32 6.883 -3.825 3.091 242 HA TYR 32 HA TYR 32 8.675 -2.700 2.405 243 HB2 TYR 32 HB2 TYR 32 7.920 -0.754 3.742 244 HB3 TYR 32 HB3 TYR 32 8.740 -1.396 5.161 245 HD1 TYR 32 HD1 TYR 32 9.970 -1.137 1.607 246 HD2 TYR 32 HD2 TYR 32 10.443 0.217 5.632 247 HE1 TYR 32 HE1 TYR 32 11.999 0.077 0.968 248 HE2 TYR 32 HE2 TYR 32 12.473 1.431 4.982 249 HH TYR 32 HH TYR 32 13.328 1.968 1.746 250 H LYS 33 H LYS 33 9.387 -3.514 5.852 251 HA LYS 33 HA LYS 33 11.401 -5.472 5.043 252 HB2 LYS 33 HB2 LYS 33 12.520 -3.167 4.968 253 HB3 LYS 33 HB3 LYS 33 12.235 -3.046 6.693 254 HG2 LYS 33 HG2 LYS 33 14.472 -3.704 6.522 255 HG3 LYS 33 HG3 LYS 33 13.624 -5.199 6.927 256 HD2 LYS 33 HD2 LYS 33 13.718 -5.925 4.589 257 HD3 LYS 33 HD3 LYS 33 14.416 -4.378 4.105 258 HE2 LYS 33 HE2 LYS 33 16.426 -4.884 5.494 259 HE3 LYS 33 HE3 LYS 33 15.728 -6.458 5.888 260 HZ1 LYS 33 HZ1 LYS 33 17.320 -6.612 4.086 261 HZ2 LYS 33 HZ2 LYS 33 16.440 -5.502 3.171 262 HZ3 LYS 33 HZ3 LYS 33 15.776 -7.012 3.531 263 H ALA 34 H ALA 34 10.525 -3.454 7.846 264 HA ALA 34 HA ALA 34 9.792 -5.796 9.489 265 HB1 ALA 34 HB1 ALA 34 11.726 -3.602 10.365 266 HB2 ALA 34 HB2 ALA 34 12.158 -5.276 10.020 267 HB3 ALA 34 HB3 ALA 34 11.112 -4.905 11.390 268 H LYS 35 H LYS 35 8.975 -4.552 11.857 269 HA LYS 35 HA LYS 35 6.682 -3.084 11.081 270 HB2 LYS 35 HB2 LYS 35 6.529 -4.514 12.979 271 HB3 LYS 35 HB3 LYS 35 7.969 -3.852 13.720 272 HG2 LYS 35 HG2 LYS 35 5.606 -2.025 13.383 273 HG3 LYS 35 HG3 LYS 35 5.506 -3.288 14.610 274 HD2 LYS 35 HD2 LYS 35 7.560 -2.418 15.687 275 HD3 LYS 35 HD3 LYS 35 7.693 -1.169 14.446 276 HE2 LYS 35 HE2 LYS 35 6.725 -0.261 16.513 277 HE3 LYS 35 HE3 LYS 35 5.553 -0.196 15.196 278 HZ1 LYS 35 HZ1 LYS 35 4.488 -2.155 16.067 279 HZ2 LYS 35 HZ2 LYS 35 4.583 -0.969 17.269 280 HZ3 LYS 35 HZ3 LYS 35 5.641 -2.283 17.298 281 H ALA 36 H ALA 36 9.685 -2.171 12.838 282 HA ALA 36 HA ALA 36 9.242 0.546 13.189 283 HB1 ALA 36 HB1 ALA 36 11.904 -0.794 12.588 284 HB2 ALA 36 HB2 ALA 36 11.150 -0.662 14.177 285 HB3 ALA 36 HB3 ALA 36 11.692 0.790 13.334 286 H SER 37 H SER 37 10.734 -1.106 10.432 287 HA SER 37 HA SER 37 11.211 1.135 8.779 288 HB2 SER 37 HB2 SER 37 10.715 -1.712 7.834 289 HB3 SER 37 HB3 SER 37 11.717 -0.479 7.072 290 HG SER 37 HG SER 37 12.929 -0.604 9.180 291 H ALA 38 H ALA 38 8.353 -0.837 9.355 292 HA ALA 38 HA ALA 38 6.849 -0.145 7.044 293 HB1 ALA 38 HB1 ALA 38 6.305 -2.132 8.382 294 HB2 ALA 38 HB2 ALA 38 4.908 -1.064 8.252 295 HB3 ALA 38 HB3 ALA 38 5.849 -1.111 9.746 296 H ILE 39 H ILE 39 6.753 1.152 10.451 297 HA ILE 39 HA ILE 39 5.022 3.266 10.043 298 HB ILE 39 HB ILE 39 7.394 3.002 11.932 299 HG12 ILE 39 HG12 ILE 39 5.469 3.138 13.676 300 HG13 ILE 39 HG13 ILE 39 4.370 2.947 12.319 301 HG21 ILE 39 HG21 ILE 39 5.552 5.413 11.801 302 HG22 ILE 39 HG22 ILE 39 7.288 5.398 11.487 303 HG23 ILE 39 HG23 ILE 39 6.687 5.077 13.113 304 HD11 ILE 39 HD11 ILE 39 4.705 0.871 13.464 305 HD12 ILE 39 HD12 ILE 39 6.451 0.979 13.239 306 HD13 ILE 39 HD13 ILE 39 5.389 0.765 11.843 307 H HIS 40 H HIS 40 8.587 3.239 9.526 308 HA HIS 40 HA HIS 40 8.913 5.929 8.775 309 HB2 HIS 40 HB2 HIS 40 10.553 3.469 8.061 310 HB3 HIS 40 HB3 HIS 40 11.020 5.087 7.540 311 HD1 HIS 40 HD1 HIS 40 11.209 6.860 9.687 312 HD2 HIS 40 HD2 HIS 40 11.637 2.810 10.473 313 HE1 HIS 40 HE1 HIS 40 12.389 6.728 11.890 314 HE2 HIS 40 HE2 HIS 40 12.433 4.278 12.440 315 H ALA 41 H ALA 41 8.174 3.079 6.757 316 HA ALA 41 HA ALA 41 8.002 4.277 4.272 317 HB1 ALA 41 HB1 ALA 41 6.553 2.388 3.664 318 HB2 ALA 41 HB2 ALA 41 6.289 2.014 5.371 319 HB3 ALA 41 HB3 ALA 41 7.897 1.837 4.668 320 H ILE 42 H ILE 42 5.380 3.795 6.659 321 HA ILE 42 HA ILE 42 3.372 5.230 5.333 322 HB ILE 42 HB ILE 42 3.720 4.813 8.326 323 HG12 ILE 42 HG12 ILE 42 2.047 3.163 6.377 324 HG13 ILE 42 HG13 ILE 42 3.708 2.748 6.777 325 HG21 ILE 42 HG21 ILE 42 1.255 5.112 8.472 326 HG22 ILE 42 HG22 ILE 42 1.199 5.503 6.750 327 HG23 ILE 42 HG23 ILE 42 2.045 6.570 7.874 328 HD11 ILE 42 HD11 ILE 42 1.451 2.922 8.748 329 HD12 ILE 42 HD12 ILE 42 3.112 2.408 9.071 330 HD13 ILE 42 HD13 ILE 42 2.081 1.452 8.009 331 H GLU 43 H GLU 43 6.086 6.412 7.200 332 HA GLU 43 HA GLU 43 5.060 9.017 7.787 333 HB2 GLU 43 HB2 GLU 43 7.938 8.056 7.608 334 HB3 GLU 43 HB3 GLU 43 7.466 9.667 8.152 335 HG2 GLU 43 HG2 GLU 43 6.106 8.521 9.970 336 HG3 GLU 43 HG3 GLU 43 6.877 7.014 9.499 337 H SER 44 H SER 44 6.782 7.579 5.012 338 HA SER 44 HA SER 44 7.259 9.835 3.441 339 HB2 SER 44 HB2 SER 44 6.373 7.037 2.680 340 HB3 SER 44 HB3 SER 44 6.842 8.232 1.479 341 HG SER 44 HG SER 44 8.369 6.778 3.287 342 H ILE 45 H ILE 45 4.256 8.094 4.053 343 HA ILE 45 HA ILE 45 2.788 9.290 1.940 344 HB ILE 45 HB ILE 45 1.315 8.234 4.382 345 HG12 ILE 45 HG12 ILE 45 3.175 6.570 3.895 346 HG13 ILE 45 HG13 ILE 45 1.557 5.916 3.695 347 HG21 ILE 45 HG21 ILE 45 -0.230 7.410 2.611 348 HG22 ILE 45 HG22 ILE 45 0.885 8.040 1.376 349 HG23 ILE 45 HG23 ILE 45 0.055 9.149 2.483 350 HD11 ILE 45 HD11 ILE 45 1.777 6.187 1.266 351 HD12 ILE 45 HD12 ILE 45 3.010 5.145 1.965 352 HD13 ILE 45 HD13 ILE 45 3.419 6.794 1.508 353 H LYS 46 H LYS 46 3.068 9.915 5.423 354 HA LYS 46 HA LYS 46 1.267 12.014 5.729 355 HB2 LYS 46 HB2 LYS 46 3.720 11.150 7.259 356 HB3 LYS 46 HB3 LYS 46 2.955 12.665 7.688 357 HG2 LYS 46 HG2 LYS 46 2.227 10.939 9.191 358 HG3 LYS 46 HG3 LYS 46 0.865 11.480 8.219 359 HD2 LYS 46 HD2 LYS 46 2.377 9.039 7.304 360 HD3 LYS 46 HD3 LYS 46 1.324 8.883 8.706 361 HE2 LYS 46 HE2 LYS 46 0.468 9.833 5.960 362 HE3 LYS 46 HE3 LYS 46 0.190 8.229 6.633 363 HZ1 LYS 46 HZ1 LYS 46 -1.754 9.531 6.931 364 HZ2 LYS 46 HZ2 LYS 46 -0.889 10.798 7.634 365 HZ3 LYS 46 HZ3 LYS 46 -1.050 9.328 8.452 366 H ARG 47 H ARG 47 4.362 12.066 4.204 367 HA ARG 47 HA ARG 47 5.156 14.742 4.721 368 HB2 ARG 47 HB2 ARG 47 5.927 13.035 2.320 369 HB3 ARG 47 HB3 ARG 47 6.790 14.452 2.908 370 HG2 ARG 47 HG2 ARG 47 6.532 11.765 4.274 371 HG3 ARG 47 HG3 ARG 47 7.982 12.454 3.550 372 HD2 ARG 47 HD2 ARG 47 8.081 14.163 5.279 373 HD3 ARG 47 HD3 ARG 47 6.541 13.618 5.956 374 HE ARG 47 HE ARG 47 8.450 11.498 5.867 375 HH11 ARG 47 HH11 ARG 47 7.512 14.293 7.765 376 HH12 ARG 47 HH12 ARG 47 8.294 13.725 9.206 377 HH21 ARG 47 HH21 ARG 47 9.461 10.751 7.760 378 HH22 ARG 47 HH22 ARG 47 9.386 11.702 9.213 379 H ASN 48 H ASN 48 3.484 13.323 1.929 380 HA ASN 48 HA ASN 48 2.075 15.598 1.062 381 HB2 ASN 48 HB2 ASN 48 4.386 16.540 0.684 382 HB3 ASN 48 HB3 ASN 48 4.686 15.278 -0.493 383 HD21 ASN 48 HD21 ASN 48 2.657 18.070 0.212 384 HD22 ASN 48 HD22 ASN 48 2.338 18.492 -1.431 385 H SER 49 H SER 49 2.122 12.520 1.096 386 HA SER 49 HA SER 49 2.188 11.581 -1.605 387 HB2 SER 49 HB2 SER 49 2.552 10.118 0.352 388 HB3 SER 49 HB3 SER 49 0.855 10.294 0.786 389 HG SER 49 HG SER 49 1.903 8.530 -0.830 390 H ALA 50 H ALA 50 -0.503 12.686 0.482 391 HA ALA 50 HA ALA 50 -2.608 12.175 -1.257 392 HB1 ALA 50 HB1 ALA 50 -2.312 14.560 0.592 393 HB2 ALA 50 HB2 ALA 50 -2.908 12.963 1.051 394 HB3 ALA 50 HB3 ALA 50 -3.823 13.953 -0.091 395 H GLY 51 H GLY 51 -0.215 14.768 -1.360 396 HA2 GLY 51 HA2 GLY 51 -1.437 15.996 -3.744 397 HA3 GLY 51 HA3 GLY 51 -0.087 16.626 -2.820 398 H ALA 52 H ALA 52 0.567 13.390 -3.310 399 HA ALA 52 HA ALA 52 2.678 13.782 -5.148 400 HB1 ALA 52 HB1 ALA 52 2.671 11.954 -3.497 401 HB2 ALA 52 HB2 ALA 52 2.905 11.323 -5.128 402 HB3 ALA 52 HB3 ALA 52 1.321 11.184 -4.341 403 H ASP 53 H ASP 53 2.928 12.594 -7.273 404 HA ASP 53 HA ASP 53 0.540 12.948 -8.928 405 HB2 ASP 53 HB2 ASP 53 2.838 13.840 -9.615 406 HB3 ASP 53 HB3 ASP 53 3.334 12.168 -9.861 407 H THR 54 H THR 54 -0.218 11.275 -10.341 408 HA THR 54 HA THR 54 0.367 8.497 -9.494 409 HB THR 54 HB THR 54 -2.104 9.574 -10.947 410 HG1 THR 54 HG1 THR 54 -1.493 9.976 -8.476 411 HG21 THR 54 HG21 THR 54 -1.743 7.161 -11.352 412 HG22 THR 54 HG22 THR 54 -3.148 7.418 -10.307 413 HG23 THR 54 HG23 THR 54 -1.616 6.892 -9.608 414 H VAL 55 H VAL 55 2.069 7.970 -10.829 415 HA VAL 55 HA VAL 55 1.997 8.536 -13.717 416 HB VAL 55 HB VAL 55 4.262 7.262 -12.105 417 HG11 VAL 55 HG11 VAL 55 4.272 8.603 -14.838 418 HG12 VAL 55 HG12 VAL 55 4.407 6.871 -14.532 419 HG13 VAL 55 HG13 VAL 55 5.691 7.960 -14.006 420 HG21 VAL 55 HG21 VAL 55 3.882 10.209 -12.773 421 HG22 VAL 55 HG22 VAL 55 5.327 9.501 -12.043 422 HG23 VAL 55 HG23 VAL 55 3.797 9.483 -11.166 423 H ASP 56 H ASP 56 1.402 6.968 -15.109 424 HA ASP 56 HA ASP 56 1.320 4.142 -14.216 425 HB2 ASP 56 HB2 ASP 56 -0.852 5.192 -14.912 426 HB3 ASP 56 HB3 ASP 56 -0.198 5.403 -16.536 427 H LEU 57 H LEU 57 3.059 3.119 -14.822 428 HA LEU 57 HA LEU 57 4.497 3.592 -17.312 429 HB2 LEU 57 HB2 LEU 57 5.134 1.671 -15.032 430 HB3 LEU 57 HB3 LEU 57 6.176 2.016 -16.400 431 HG LEU 57 HG LEU 57 7.073 3.170 -14.503 432 HD11 LEU 57 HD11 LEU 57 7.083 5.511 -15.168 433 HD12 LEU 57 HD12 LEU 57 5.686 5.244 -16.217 434 HD13 LEU 57 HD13 LEU 57 7.223 4.448 -16.572 435 HD21 LEU 57 HD21 LEU 57 5.123 3.188 -13.054 436 HD22 LEU 57 HD22 LEU 57 4.372 4.445 -14.041 437 HD23 LEU 57 HD23 LEU 57 5.855 4.789 -13.146 438 H THR 58 H THR 58 1.993 1.464 -16.257 439 HA THR 58 HA THR 58 2.890 -0.815 -17.876 440 HB THR 58 HB THR 58 2.027 -1.454 -15.754 441 HG1 THR 58 HG1 THR 58 -0.014 -2.122 -17.596 442 HG21 THR 58 HG21 THR 58 0.604 0.455 -15.215 443 HG22 THR 58 HG22 THR 58 -0.239 -1.072 -14.975 444 HG23 THR 58 HG23 THR 58 -0.594 -0.090 -16.400 445 H THR 59 H THR 59 1.489 1.980 -18.705 446 HA THR 59 HA THR 59 -0.341 1.052 -20.722 447 HB THR 59 HB THR 59 0.396 3.455 -21.727 448 HG1 THR 59 HG1 THR 59 0.963 3.835 -18.958 449 HG21 THR 59 HG21 THR 59 -1.863 2.944 -20.860 450 HG22 THR 59 HG22 THR 59 -1.330 4.552 -20.368 451 HG23 THR 59 HG23 THR 59 -1.293 3.218 -19.212 452 H MET 60 H MET 60 3.076 1.095 -20.359 453 HA MET 60 HA MET 60 3.664 0.619 -23.181 454 HB2 MET 60 HB2 MET 60 5.290 1.896 -21.808 455 HB3 MET 60 HB3 MET 60 5.456 0.538 -20.706 456 HG2 MET 60 HG2 MET 60 6.454 -0.810 -22.515 457 HG3 MET 60 HG3 MET 60 6.287 0.558 -23.620 458 HE1 MET 60 HE1 MET 60 8.912 0.369 -24.201 459 HE2 MET 60 HE2 MET 60 9.104 -0.973 -23.073 460 HE3 MET 60 HE3 MET 60 10.180 0.421 -22.977 461 H THR 61 H THR 61 3.941 -1.171 -20.075 462 HA THR 61 HA THR 61 4.787 -3.614 -21.292 463 HB THR 61 HB THR 61 4.512 -4.592 -18.997 464 HG1 THR 61 HG1 THR 61 2.691 -3.330 -18.337 465 HG21 THR 61 HG21 THR 61 6.189 -3.175 -17.846 466 HG22 THR 61 HG22 THR 61 5.916 -1.889 -19.024 467 HG23 THR 61 HG23 THR 61 6.621 -3.425 -19.539 468 H ALA 62 H ALA 62 3.659 -5.584 -21.476 469 HA ALA 62 HA ALA 62 0.738 -5.628 -21.216 470 HB1 ALA 62 HB1 ALA 62 0.419 -6.301 -23.580 471 HB2 ALA 62 HB2 ALA 62 2.137 -6.051 -23.895 472 HB3 ALA 62 HB3 ALA 62 1.112 -4.679 -23.470 473 H MET 1 H MET 1 8.861 15.470 -8.349 474 HA MET 1 HA MET 1 8.891 15.388 -5.397 475 HB2 MET 1 HB2 MET 1 7.174 16.951 -6.341 476 HB3 MET 1 HB3 MET 1 6.520 15.634 -7.299 477 HG2 MET 1 HG2 MET 1 5.941 14.443 -5.181 478 HG3 MET 1 HG3 MET 1 6.504 15.852 -4.281 479 HE1 MET 1 HE1 MET 1 4.556 15.959 -7.752 480 HE2 MET 1 HE2 MET 1 2.889 15.977 -7.178 481 HE3 MET 1 HE3 MET 1 3.887 14.544 -6.939 482 H TYR 2 H TYR 2 8.170 13.469 -4.491 483 HA TYR 2 HA TYR 2 8.336 11.024 -5.939 484 HB2 TYR 2 HB2 TYR 2 7.217 10.140 -3.681 485 HB3 TYR 2 HB3 TYR 2 8.893 10.656 -3.742 486 HD1 TYR 2 HD1 TYR 2 5.470 12.063 -2.984 487 HD2 TYR 2 HD2 TYR 2 9.660 12.171 -2.131 488 HE1 TYR 2 HE1 TYR 2 5.077 13.691 -1.191 489 HE2 TYR 2 HE2 TYR 2 9.253 13.805 -0.350 490 HH TYR 2 HH TYR 2 7.512 15.534 0.154 491 H LYS 3 H LYS 3 6.523 9.373 -5.833 492 HA LYS 3 HA LYS 3 3.885 10.197 -6.393 493 HB2 LYS 3 HB2 LYS 3 4.136 9.712 -8.997 494 HB3 LYS 3 HB3 LYS 3 4.444 11.311 -8.362 495 HG2 LYS 3 HG2 LYS 3 6.098 10.770 -10.027 496 HG3 LYS 3 HG3 LYS 3 6.878 10.897 -8.450 497 HD2 LYS 3 HD2 LYS 3 6.942 8.418 -8.292 498 HD3 LYS 3 HD3 LYS 3 6.156 8.301 -9.872 499 HE2 LYS 3 HE2 LYS 3 8.611 7.976 -10.031 500 HE3 LYS 3 HE3 LYS 3 8.073 9.391 -10.940 501 HZ1 LYS 3 HZ1 LYS 3 9.285 9.453 -8.232 502 HZ2 LYS 3 HZ2 LYS 3 8.801 10.801 -9.130 503 HZ3 LYS 3 HZ3 LYS 3 10.074 9.837 -9.673 504 H PHE 4 H PHE 4 2.832 8.468 -7.922 505 HA PHE 4 HA PHE 4 3.507 5.834 -6.793 506 HB2 PHE 4 HB2 PHE 4 0.886 7.010 -7.802 507 HB3 PHE 4 HB3 PHE 4 1.085 5.297 -7.440 508 HD1 PHE 4 HD1 PHE 4 1.107 8.713 -5.920 509 HD2 PHE 4 HD2 PHE 4 1.059 4.493 -5.183 510 HE1 PHE 4 HE1 PHE 4 0.606 9.120 -3.546 511 HE2 PHE 4 HE2 PHE 4 0.553 4.918 -2.816 512 HZ PHE 4 HZ PHE 4 0.335 7.224 -1.997 513 H GLU 5 H GLU 5 4.518 4.556 -8.119 514 HA GLU 5 HA GLU 5 4.322 4.905 -11.043 515 HB2 GLU 5 HB2 GLU 5 6.394 3.519 -9.294 516 HB3 GLU 5 HB3 GLU 5 6.347 3.306 -11.047 517 HG2 GLU 5 HG2 GLU 5 6.531 5.804 -11.288 518 HG3 GLU 5 HG3 GLU 5 6.779 5.905 -9.540 519 H ILE 6 H ILE 6 2.815 3.697 -11.995 520 HA ILE 6 HA ILE 6 1.832 1.219 -10.737 521 HB ILE 6 HB ILE 6 0.578 2.758 -13.061 522 HG12 ILE 6 HG12 ILE 6 -0.304 2.978 -10.152 523 HG13 ILE 6 HG13 ILE 6 0.773 4.143 -10.914 524 HG21 ILE 6 HG21 ILE 6 -0.616 0.669 -11.179 525 HG22 ILE 6 HG22 ILE 6 -0.132 0.390 -12.855 526 HG23 ILE 6 HG23 ILE 6 -1.472 1.484 -12.492 527 HD11 ILE 6 HD11 ILE 6 -1.498 4.942 -10.908 528 HD12 ILE 6 HD12 ILE 6 -2.040 3.504 -11.762 529 HD13 ILE 6 HD13 ILE 6 -0.968 4.654 -12.565 530 H TYR 7 H TYR 7 2.631 -0.572 -11.606 531 HA TYR 7 HA TYR 7 3.040 -0.722 -14.511 532 HB2 TYR 7 HB2 TYR 7 5.191 -1.948 -14.167 533 HB3 TYR 7 HB3 TYR 7 5.273 -0.263 -13.679 534 HD1 TYR 7 HD1 TYR 7 5.447 0.352 -11.276 535 HD2 TYR 7 HD2 TYR 7 5.403 -3.753 -12.486 536 HE1 TYR 7 HE1 TYR 7 6.272 -0.308 -9.057 537 HE2 TYR 7 HE2 TYR 7 6.226 -4.409 -10.257 538 HH TYR 7 HH TYR 7 6.264 -2.284 -7.600 539 H GLN 8 H GLN 8 3.506 -3.086 -15.041 540 HA GLN 8 HA GLN 8 2.226 -4.943 -13.143 541 HB2 GLN 8 HB2 GLN 8 1.107 -6.142 -14.793 542 HB3 GLN 8 HB3 GLN 8 0.930 -4.498 -15.393 543 HG2 GLN 8 HG2 GLN 8 2.980 -5.011 -16.857 544 HG3 GLN 8 HG3 GLN 8 2.730 -6.693 -16.414 545 HE21 GLN 8 HE21 GLN 8 0.789 -7.732 -17.082 546 HE22 GLN 8 HE22 GLN 8 -0.114 -7.152 -18.428 547 H ASP 9 H ASP 9 3.228 -6.920 -13.002 548 HA ASP 9 HA ASP 9 6.105 -6.884 -13.307 549 HB2 ASP 9 HB2 ASP 9 5.021 -7.575 -11.171 550 HB3 ASP 9 HB3 ASP 9 4.175 -8.871 -12.002 551 H LYS 10 H LYS 10 7.199 -8.844 -14.240 552 HA LYS 10 HA LYS 10 6.587 -9.373 -16.886 553 HB2 LYS 10 HB2 LYS 10 8.815 -9.735 -15.913 554 HB3 LYS 10 HB3 LYS 10 8.207 -11.077 -14.950 555 HG2 LYS 10 HG2 LYS 10 7.669 -12.269 -17.133 556 HG3 LYS 10 HG3 LYS 10 8.534 -10.971 -17.968 557 HD2 LYS 10 HD2 LYS 10 10.583 -11.542 -16.660 558 HD3 LYS 10 HD3 LYS 10 9.694 -12.857 -15.879 559 HE2 LYS 10 HE2 LYS 10 9.422 -13.986 -18.027 560 HE3 LYS 10 HE3 LYS 10 10.207 -12.645 -18.866 561 HZ1 LYS 10 HZ1 LYS 10 12.229 -13.123 -17.658 562 HZ2 LYS 10 HZ2 LYS 10 11.712 -14.483 -18.515 563 HZ3 LYS 10 HZ3 LYS 10 11.476 -14.399 -16.845 564 H ALA 11 H ALA 11 5.667 -11.150 -14.029 565 HA ALA 11 HA ALA 11 4.361 -13.379 -15.230 566 HB1 ALA 11 HB1 ALA 11 5.095 -13.365 -12.886 567 HB2 ALA 11 HB2 ALA 11 3.378 -13.751 -13.001 568 HB3 ALA 11 HB3 ALA 11 3.887 -12.137 -12.498 569 H GLY 12 H GLY 12 3.493 -10.328 -15.809 570 HA2 GLY 12 HA2 GLY 12 1.688 -9.225 -16.625 571 HA3 GLY 12 HA3 GLY 12 0.837 -10.756 -16.648 572 H GLU 13 H GLU 13 2.259 -9.297 -13.765 573 HA GLU 13 HA GLU 13 -0.466 -9.319 -12.539 574 HB2 GLU 13 HB2 GLU 13 2.237 -9.778 -11.197 575 HB3 GLU 13 HB3 GLU 13 0.675 -9.770 -10.375 576 HG2 GLU 13 HG2 GLU 13 -0.006 -11.708 -11.866 577 HG3 GLU 13 HG3 GLU 13 1.662 -11.772 -12.428 578 H TYR 14 H TYR 14 -1.218 -7.397 -11.734 579 HA TYR 14 HA TYR 14 0.335 -5.022 -12.423 580 HB2 TYR 14 HB2 TYR 14 -2.559 -5.371 -11.518 581 HB3 TYR 14 HB3 TYR 14 -1.809 -3.787 -11.723 582 HD1 TYR 14 HD1 TYR 14 -1.095 -3.015 -13.985 583 HD2 TYR 14 HD2 TYR 14 -3.185 -6.708 -13.485 584 HE1 TYR 14 HE1 TYR 14 -1.528 -3.098 -16.398 585 HE2 TYR 14 HE2 TYR 14 -3.628 -6.782 -15.904 586 HH TYR 14 HH TYR 14 -2.005 -4.856 -18.118 587 H ARG 15 H ARG 15 1.503 -4.045 -11.037 588 HA ARG 15 HA ARG 15 0.985 -4.046 -8.123 589 HB2 ARG 15 HB2 ARG 15 3.858 -4.329 -9.142 590 HB3 ARG 15 HB3 ARG 15 3.265 -4.530 -7.499 591 HG2 ARG 15 HG2 ARG 15 2.803 -6.460 -9.805 592 HG3 ARG 15 HG3 ARG 15 3.987 -6.663 -8.513 593 HD2 ARG 15 HD2 ARG 15 2.168 -6.766 -6.862 594 HD3 ARG 15 HD3 ARG 15 0.982 -6.549 -8.148 595 HE ARG 15 HE ARG 15 2.621 -8.791 -8.690 596 HH11 ARG 15 HH11 ARG 15 -0.046 -7.799 -6.628 597 HH12 ARG 15 HH12 ARG 15 -0.633 -9.419 -6.414 598 HH21 ARG 15 HH21 ARG 15 1.824 -10.901 -8.397 599 HH22 ARG 15 HH22 ARG 15 0.415 -11.163 -7.416 600 H PHE 16 H PHE 16 1.200 -1.939 -7.335 601 HA PHE 16 HA PHE 16 3.007 -0.144 -8.845 602 HB2 PHE 16 HB2 PHE 16 1.654 1.789 -8.334 603 HB3 PHE 16 HB3 PHE 16 0.697 0.608 -9.198 604 HD1 PHE 16 HD1 PHE 16 1.145 2.382 -6.001 605 HD2 PHE 16 HD2 PHE 16 -1.231 -0.460 -8.135 606 HE1 PHE 16 HE1 PHE 16 -0.663 2.647 -4.367 607 HE2 PHE 16 HE2 PHE 16 -3.042 -0.178 -6.494 608 HZ PHE 16 HZ PHE 16 -2.760 1.376 -4.610 609 H ARG 17 H ARG 17 3.627 1.739 -7.444 610 HA ARG 17 HA ARG 17 4.199 1.013 -4.646 611 HB2 ARG 17 HB2 ARG 17 6.619 1.484 -4.990 612 HB3 ARG 17 HB3 ARG 17 6.065 0.090 -5.905 613 HG2 ARG 17 HG2 ARG 17 5.984 1.504 -7.959 614 HG3 ARG 17 HG3 ARG 17 6.649 2.849 -7.018 615 HD2 ARG 17 HD2 ARG 17 8.664 1.559 -6.541 616 HD3 ARG 17 HD3 ARG 17 7.985 0.143 -7.354 617 HE ARG 17 HE ARG 17 8.228 2.496 -9.015 618 HH11 ARG 17 HH11 ARG 17 9.789 -0.475 -7.961 619 HH12 ARG 17 HH12 ARG 17 10.936 -0.463 -9.266 620 HH21 ARG 17 HH21 ARG 17 9.746 2.505 -10.698 621 HH22 ARG 17 HH22 ARG 17 10.909 1.220 -10.811 622 H PHE 18 H PHE 18 5.326 2.831 -3.500 623 HA PHE 18 HA PHE 18 4.797 5.510 -4.673 624 HB2 PHE 18 HB2 PHE 18 3.235 5.169 -2.763 625 HB3 PHE 18 HB3 PHE 18 4.588 4.756 -1.720 626 HD1 PHE 18 HD1 PHE 18 4.235 7.590 -4.179 627 HD2 PHE 18 HD2 PHE 18 4.588 6.440 -0.076 628 HE1 PHE 18 HE1 PHE 18 4.398 9.951 -3.522 629 HE2 PHE 18 HE2 PHE 18 4.717 8.804 0.581 630 HZ PHE 18 HZ PHE 18 4.665 10.557 -1.151 631 H LYS 19 H LYS 19 6.459 6.848 -4.635 632 HA LYS 19 HA LYS 19 9.100 5.696 -4.041 633 HB2 LYS 19 HB2 LYS 19 8.238 7.975 -5.890 634 HB3 LYS 19 HB3 LYS 19 9.882 7.342 -5.735 635 HG2 LYS 19 HG2 LYS 19 7.466 5.771 -6.721 636 HG3 LYS 19 HG3 LYS 19 8.744 6.447 -7.741 637 HD2 LYS 19 HD2 LYS 19 9.236 4.397 -5.534 638 HD3 LYS 19 HD3 LYS 19 9.007 3.964 -7.225 639 HE2 LYS 19 HE2 LYS 19 11.198 5.827 -6.244 640 HE3 LYS 19 HE3 LYS 19 11.405 4.100 -6.472 641 HZ1 LYS 19 HZ1 LYS 19 10.792 4.425 -8.824 642 HZ2 LYS 19 HZ2 LYS 19 12.200 5.254 -8.391 643 HZ3 LYS 19 HZ3 LYS 19 10.742 6.093 -8.562 644 H ALA 20 H ALA 20 10.761 7.575 -3.837 645 HA ALA 20 HA ALA 20 9.918 9.731 -2.004 646 HB1 ALA 20 HB1 ALA 20 12.489 8.142 -1.719 647 HB2 ALA 20 HB2 ALA 20 11.074 7.959 -0.685 648 HB3 ALA 20 HB3 ALA 20 11.964 9.482 -0.699 649 H SER 21 H SER 21 11.483 11.587 -2.102 650 HA SER 21 HA SER 21 11.637 12.659 -4.507 651 HB2 SER 21 HB2 SER 21 13.524 13.325 -2.230 652 HB3 SER 21 HB3 SER 21 13.070 14.408 -3.548 653 HG SER 21 HG SER 21 11.886 14.504 -1.437 654 H ASN 22 H ASN 22 14.304 10.642 -3.278 655 HA ASN 22 HA ASN 22 16.005 11.422 -5.581 656 HB2 ASN 22 HB2 ASN 22 16.784 9.852 -3.090 657 HB3 ASN 22 HB3 ASN 22 17.880 10.395 -4.353 658 HD21 ASN 22 HD21 ASN 22 15.992 11.323 -1.594 659 HD22 ASN 22 HD22 ASN 22 16.679 12.898 -1.396 660 H GLY 23 H GLY 23 13.689 9.206 -5.153 661 HA2 GLY 23 HA2 GLY 23 13.226 7.603 -6.820 662 HA3 GLY 23 HA3 GLY 23 14.937 7.327 -7.048 663 H GLU 24 H GLU 24 13.854 7.369 -3.780 664 HA GLU 24 HA GLU 24 14.361 4.529 -3.429 665 HB2 GLU 24 HB2 GLU 24 13.300 6.601 -1.455 666 HB3 GLU 24 HB3 GLU 24 13.715 4.948 -1.036 667 HG2 GLU 24 HG2 GLU 24 15.480 6.430 -0.335 668 HG3 GLU 24 HG3 GLU 24 16.066 5.395 -1.637 669 H THR 25 H THR 25 12.776 2.976 -2.669 670 HA THR 25 HA THR 25 9.921 3.753 -2.957 671 HB THR 25 HB THR 25 11.141 1.022 -3.536 672 HG1 THR 25 HG1 THR 25 11.464 2.685 -5.138 673 HG21 THR 25 HG21 THR 25 8.861 0.787 -2.611 674 HG22 THR 25 HG22 THR 25 8.895 0.363 -4.322 675 HG23 THR 25 HG23 THR 25 8.260 1.929 -3.821 676 H MET 26 H MET 26 8.640 3.252 -1.326 677 HA MET 26 HA MET 26 9.838 2.079 1.125 678 HB2 MET 26 HB2 MET 26 8.099 3.658 2.305 679 HB3 MET 26 HB3 MET 26 9.628 4.294 1.726 680 HG2 MET 26 HG2 MET 26 7.834 5.825 1.210 681 HG3 MET 26 HG3 MET 26 8.508 5.168 -0.286 682 HE1 MET 26 HE1 MET 26 6.033 3.458 2.259 683 HE2 MET 26 HE2 MET 26 4.492 3.960 1.568 684 HE3 MET 26 HE3 MET 26 5.592 5.169 2.235 685 H PHE 27 H PHE 27 7.036 1.930 -1.015 686 HA PHE 27 HA PHE 27 6.876 -0.790 -0.203 687 HB2 PHE 27 HB2 PHE 27 4.532 -1.001 0.437 688 HB3 PHE 27 HB3 PHE 27 5.415 0.008 1.567 689 HD1 PHE 27 HD1 PHE 27 4.788 2.225 -1.063 690 HD2 PHE 27 HD2 PHE 27 2.737 0.038 1.993 691 HE1 PHE 27 HE1 PHE 27 3.023 3.925 -1.003 692 HE2 PHE 27 HE2 PHE 27 0.986 1.755 2.022 693 HZ PHE 27 HZ PHE 27 1.141 3.701 0.535 694 H SER 28 H SER 28 5.068 -1.957 -1.312 695 HA SER 28 HA SER 28 4.297 -1.222 -3.962 696 HB2 SER 28 HB2 SER 28 6.769 -1.135 -4.290 697 HB3 SER 28 HB3 SER 28 6.924 -2.786 -3.703 698 HG SER 28 HG SER 28 6.341 -3.503 -5.593 699 H SER 29 H SER 29 3.867 -3.335 -5.339 700 HA SER 29 HA SER 29 4.049 -5.593 -5.692 701 HB2 SER 29 HB2 SER 29 4.398 -6.011 -2.691 702 HB3 SER 29 HB3 SER 29 4.596 -7.249 -3.936 703 HG SER 29 HG SER 29 6.322 -5.305 -3.096 704 H GLU 30 H GLU 30 1.674 -3.924 -4.448 705 HA GLU 30 HA GLU 30 -0.194 -6.173 -4.105 706 HB2 GLU 30 HB2 GLU 30 -1.644 -3.755 -3.744 707 HB3 GLU 30 HB3 GLU 30 -1.099 -4.863 -2.499 708 HG2 GLU 30 HG2 GLU 30 -0.394 -2.689 -1.839 709 HG3 GLU 30 HG3 GLU 30 1.047 -3.565 -2.343 710 H GLY 31 H GLY 31 -0.913 -3.018 -5.535 711 HA2 GLY 31 HA2 GLY 31 -1.445 -2.427 -7.746 712 HA3 GLY 31 HA3 GLY 31 -1.455 -4.126 -8.185 713 H TYR 32 H TYR 32 -3.065 -4.335 -5.509 714 HA TYR 32 HA TYR 32 -5.125 -4.328 -4.651 715 HB2 TYR 32 HB2 TYR 32 -5.288 -1.938 -5.166 716 HB3 TYR 32 HB3 TYR 32 -5.795 -2.293 -6.812 717 HD1 TYR 32 HD1 TYR 32 -6.999 -3.689 -3.498 718 HD2 TYR 32 HD2 TYR 32 -7.982 -1.477 -7.013 719 HE1 TYR 32 HE1 TYR 32 -9.356 -3.589 -2.793 720 HE2 TYR 32 HE2 TYR 32 -10.321 -1.378 -6.309 721 HH TYR 32 HH TYR 32 -11.330 -2.150 -3.208 722 H LYS 33 H LYS 33 -5.711 -4.150 -8.209 723 HA LYS 33 HA LYS 33 -6.672 -6.899 -8.245 724 HB2 LYS 33 HB2 LYS 33 -8.683 -5.631 -7.500 725 HB3 LYS 33 HB3 LYS 33 -8.558 -4.587 -8.909 726 HG2 LYS 33 HG2 LYS 33 -10.306 -6.270 -9.221 727 HG3 LYS 33 HG3 LYS 33 -9.005 -6.499 -10.393 728 HD2 LYS 33 HD2 LYS 33 -8.065 -8.310 -8.921 729 HD3 LYS 33 HD3 LYS 33 -9.453 -8.105 -7.847 730 HE2 LYS 33 HE2 LYS 33 -10.955 -8.742 -9.726 731 HE3 LYS 33 HE3 LYS 33 -9.536 -9.000 -10.746 732 HZ1 LYS 33 HZ1 LYS 33 -10.344 -11.065 -9.800 733 HZ2 LYS 33 HZ2 LYS 33 -10.144 -10.460 -8.232 734 HZ3 LYS 33 HZ3 LYS 33 -8.795 -10.718 -9.220 735 H ALA 34 H ALA 34 -6.875 -3.915 -10.164 736 HA ALA 34 HA ALA 34 -5.418 -5.107 -12.436 737 HB1 ALA 34 HB1 ALA 34 -8.105 -3.677 -12.672 738 HB2 ALA 34 HB2 ALA 34 -7.838 -5.403 -12.917 739 HB3 ALA 34 HB3 ALA 34 -7.110 -4.237 -14.021 740 H LYS 35 H LYS 35 -5.328 -2.938 -14.201 741 HA LYS 35 HA LYS 35 -3.721 -1.054 -12.832 742 HB2 LYS 35 HB2 LYS 35 -3.159 -1.599 -15.078 743 HB3 LYS 35 HB3 LYS 35 -4.792 -1.341 -15.659 744 HG2 LYS 35 HG2 LYS 35 -3.336 1.036 -14.552 745 HG3 LYS 35 HG3 LYS 35 -2.788 0.400 -16.102 746 HD2 LYS 35 HD2 LYS 35 -5.102 0.666 -17.008 747 HD3 LYS 35 HD3 LYS 35 -5.616 1.342 -15.458 748 HE2 LYS 35 HE2 LYS 35 -5.178 3.113 -17.117 749 HE3 LYS 35 HE3 LYS 35 -4.068 3.228 -15.750 750 HZ1 LYS 35 HZ1 LYS 35 -3.427 1.974 -18.360 751 HZ2 LYS 35 HZ2 LYS 35 -2.362 2.184 -17.064 752 HZ3 LYS 35 HZ3 LYS 35 -2.970 3.531 -17.887 753 H ALA 36 H ALA 36 -6.954 -0.840 -14.394 754 HA ALA 36 HA ALA 36 -7.631 1.779 -13.804 755 HB1 ALA 36 HB1 ALA 36 -8.986 0.316 -15.253 756 HB2 ALA 36 HB2 ALA 36 -9.987 1.075 -14.016 757 HB3 ALA 36 HB3 ALA 36 -9.504 -0.616 -13.848 758 H SER 37 H SER 37 -8.167 -1.119 -11.856 759 HA SER 37 HA SER 37 -9.365 0.074 -9.593 760 HB2 SER 37 HB2 SER 37 -7.755 -2.505 -9.681 761 HB3 SER 37 HB3 SER 37 -9.035 -2.082 -8.545 762 HG SER 37 HG SER 37 -10.348 -1.901 -10.602 763 H ALA 38 H ALA 38 -6.015 -0.310 -10.593 764 HA ALA 38 HA ALA 38 -4.740 0.093 -8.073 765 HB1 ALA 38 HB1 ALA 38 -3.627 0.534 -10.871 766 HB2 ALA 38 HB2 ALA 38 -3.559 -0.971 -9.953 767 HB3 ALA 38 HB3 ALA 38 -2.681 0.448 -9.385 768 H ILE 39 H ILE 39 -5.385 2.372 -10.855 769 HA ILE 39 HA ILE 39 -4.584 4.718 -9.647 770 HB ILE 39 HB ILE 39 -6.812 4.226 -11.669 771 HG12 ILE 39 HG12 ILE 39 -5.197 5.612 -13.160 772 HG13 ILE 39 HG13 ILE 39 -4.008 5.420 -11.879 773 HG21 ILE 39 HG21 ILE 39 -7.536 6.204 -10.450 774 HG22 ILE 39 HG22 ILE 39 -6.949 6.697 -12.036 775 HG23 ILE 39 HG23 ILE 39 -5.939 6.938 -10.609 776 HD11 ILE 39 HD11 ILE 39 -5.277 3.211 -13.479 777 HD12 ILE 39 HD12 ILE 39 -4.070 3.005 -12.206 778 HD13 ILE 39 HD13 ILE 39 -3.654 3.869 -13.686 779 H HIS 40 H HIS 40 -7.825 3.159 -9.432 780 HA HIS 40 HA HIS 40 -9.117 5.092 -7.860 781 HB2 HIS 40 HB2 HIS 40 -9.589 2.098 -8.073 782 HB3 HIS 40 HB3 HIS 40 -10.617 3.140 -7.095 783 HD1 HIS 40 HD1 HIS 40 -11.563 5.313 -8.639 784 HD2 HIS 40 HD2 HIS 40 -10.632 1.750 -10.553 785 HE1 HIS 40 HE1 HIS 40 -12.892 5.326 -10.764 786 HE2 HIS 40 HE2 HIS 40 -12.358 3.133 -11.879 787 H ALA 41 H ALA 41 -7.159 2.288 -6.859 788 HA ALA 41 HA ALA 41 -7.327 2.551 -4.099 789 HB1 ALA 41 HB1 ALA 41 -5.211 1.293 -4.040 790 HB2 ALA 41 HB2 ALA 41 -4.951 1.621 -5.755 791 HB3 ALA 41 HB3 ALA 41 -6.306 0.613 -5.249 792 H ILE 42 H ILE 42 -4.906 3.951 -6.336 793 HA ILE 42 HA ILE 42 -3.508 5.520 -4.470 794 HB ILE 42 HB ILE 42 -3.885 6.005 -7.451 795 HG12 ILE 42 HG12 ILE 42 -1.554 4.628 -6.051 796 HG13 ILE 42 HG13 ILE 42 -2.940 3.735 -6.662 797 HG21 ILE 42 HG21 ILE 42 -3.016 8.037 -6.378 798 HG22 ILE 42 HG22 ILE 42 -1.737 7.275 -7.322 799 HG23 ILE 42 HG23 ILE 42 -1.754 7.106 -5.565 800 HD11 ILE 42 HD11 ILE 42 -2.440 4.430 -8.903 801 HD12 ILE 42 HD12 ILE 42 -1.037 3.668 -8.151 802 HD13 ILE 42 HD13 ILE 42 -1.097 5.422 -8.324 803 H GLU 43 H GLU 43 -6.591 6.098 -6.028 804 HA GLU 43 HA GLU 43 -6.706 8.928 -5.649 805 HB2 GLU 43 HB2 GLU 43 -8.923 6.896 -6.064 806 HB3 GLU 43 HB3 GLU 43 -9.222 8.627 -5.909 807 HG2 GLU 43 HG2 GLU 43 -7.722 8.991 -7.898 808 HG3 GLU 43 HG3 GLU 43 -7.636 7.242 -8.095 809 H SER 44 H SER 44 -7.517 6.114 -3.627 810 HA SER 44 HA SER 44 -8.753 7.367 -1.444 811 HB2 SER 44 HB2 SER 44 -6.846 5.012 -1.607 812 HB3 SER 44 HB3 SER 44 -7.578 5.500 -0.081 813 HG SER 44 HG SER 44 -8.730 4.357 -2.369 814 H ILE 45 H ILE 45 -5.358 7.245 -2.393 815 HA ILE 45 HA ILE 45 -4.323 8.135 0.098 816 HB ILE 45 HB ILE 45 -2.730 8.585 -2.453 817 HG12 ILE 45 HG12 ILE 45 -3.754 6.270 -2.642 818 HG13 ILE 45 HG13 ILE 45 -2.000 6.268 -2.551 819 HG21 ILE 45 HG21 ILE 45 -1.802 9.263 -0.277 820 HG22 ILE 45 HG22 ILE 45 -0.866 7.925 -0.947 821 HG23 ILE 45 HG23 ILE 45 -2.045 7.622 0.351 822 HD11 ILE 45 HD11 ILE 45 -3.904 5.622 -0.318 823 HD12 ILE 45 HD12 ILE 45 -2.142 5.635 -0.189 824 HD13 ILE 45 HD13 ILE 45 -2.943 4.485 -1.254 825 H LYS 46 H LYS 46 -5.048 9.702 -2.997 826 HA LYS 46 HA LYS 46 -4.243 12.311 -2.491 827 HB2 LYS 46 HB2 LYS 46 -6.287 11.093 -4.347 828 HB3 LYS 46 HB3 LYS 46 -6.198 12.838 -4.230 829 HG2 LYS 46 HG2 LYS 46 -4.997 12.038 -6.176 830 HG3 LYS 46 HG3 LYS 46 -3.898 12.819 -5.052 831 HD2 LYS 46 HD2 LYS 46 -4.155 9.814 -4.959 832 HD3 LYS 46 HD3 LYS 46 -3.245 10.539 -6.282 833 HE2 LYS 46 HE2 LYS 46 -2.683 10.889 -3.324 834 HE3 LYS 46 HE3 LYS 46 -1.764 9.889 -4.441 835 HZ1 LYS 46 HZ1 LYS 46 -1.252 11.890 -5.707 836 HZ2 LYS 46 HZ2 LYS 46 -0.683 11.984 -4.125 837 HZ3 LYS 46 HZ3 LYS 46 -2.073 12.831 -4.572 838 H ARG 47 H ARG 47 -7.021 10.659 -1.262 839 HA ARG 47 HA ARG 47 -8.812 12.807 -0.882 840 HB2 ARG 47 HB2 ARG 47 -8.614 10.143 0.535 841 HB3 ARG 47 HB3 ARG 47 -9.958 11.275 0.738 842 HG2 ARG 47 HG2 ARG 47 -10.401 11.151 -1.712 843 HG3 ARG 47 HG3 ARG 47 -9.113 9.955 -1.865 844 HD2 ARG 47 HD2 ARG 47 -10.322 8.433 -0.406 845 HD3 ARG 47 HD3 ARG 47 -11.579 9.651 -0.164 846 HE ARG 47 HE ARG 47 -11.560 9.346 -2.853 847 HH11 ARG 47 HH11 ARG 47 -11.729 6.934 -0.293 848 HH12 ARG 47 HH12 ARG 47 -12.823 5.919 -1.171 849 HH21 ARG 47 HH21 ARG 47 -12.979 7.972 -3.986 850 HH22 ARG 47 HH22 ARG 47 -13.489 6.483 -3.256 851 H ASN 48 H ASN 48 -6.567 11.294 1.406 852 HA ASN 48 HA ASN 48 -6.060 13.565 3.024 853 HB2 ASN 48 HB2 ASN 48 -8.532 13.302 3.568 854 HB3 ASN 48 HB3 ASN 48 -8.166 11.742 4.288 855 HD21 ASN 48 HD21 ASN 48 -8.761 12.230 6.369 856 HD22 ASN 48 HD22 ASN 48 -7.973 13.409 7.354 857 H SER 49 H SER 49 -4.899 10.899 1.994 858 HA SER 49 HA SER 49 -4.438 9.181 4.225 859 HB2 SER 49 HB2 SER 49 -4.323 8.418 1.887 860 HB3 SER 49 HB3 SER 49 -2.860 9.370 1.653 861 HG SER 49 HG SER 49 -2.996 6.919 2.479 862 H ALA 50 H ALA 50 -2.527 11.857 2.814 863 HA ALA 50 HA ALA 50 -0.269 11.668 4.421 864 HB1 ALA 50 HB1 ALA 50 0.055 14.062 3.995 865 HB2 ALA 50 HB2 ALA 50 -1.615 14.200 3.435 866 HB3 ALA 50 HB3 ALA 50 -0.458 13.219 2.531 867 H GLY 51 H GLY 51 -3.464 12.952 5.215 868 HA2 GLY 51 HA2 GLY 51 -2.651 13.682 7.945 869 HA3 GLY 51 HA3 GLY 51 -4.201 14.003 7.194 870 H ALA 52 H ALA 52 -3.524 10.804 6.540 871 HA ALA 52 HA ALA 52 -5.484 9.722 8.266 872 HB1 ALA 52 HB1 ALA 52 -3.285 8.267 6.749 873 HB2 ALA 52 HB2 ALA 52 -4.875 8.697 6.105 874 HB3 ALA 52 HB3 ALA 52 -4.743 7.523 7.418 875 H ASP 53 H ASP 53 -5.112 7.918 9.864 876 HA ASP 53 HA ASP 53 -2.943 8.600 11.713 877 HB2 ASP 53 HB2 ASP 53 -5.342 8.255 12.486 878 HB3 ASP 53 HB3 ASP 53 -5.170 6.551 12.090 879 H THR 54 H THR 54 -1.499 6.987 12.549 880 HA THR 54 HA THR 54 -1.023 4.646 10.791 881 HB THR 54 HB THR 54 0.942 6.072 12.655 882 HG1 THR 54 HG1 THR 54 1.796 6.488 10.322 883 HG21 THR 54 HG21 THR 54 1.419 3.927 10.552 884 HG22 THR 54 HG22 THR 54 1.580 3.714 12.296 885 HG23 THR 54 HG23 THR 54 2.688 4.787 11.428 886 H VAL 55 H VAL 55 -2.284 3.102 11.753 887 HA VAL 55 HA VAL 55 -2.258 2.663 14.663 888 HB VAL 55 HB VAL 55 -3.930 1.252 12.523 889 HG11 VAL 55 HG11 VAL 55 -5.383 0.555 14.410 890 HG12 VAL 55 HG12 VAL 55 -4.258 1.304 15.547 891 HG13 VAL 55 HG13 VAL 55 -3.741 -0.075 14.575 892 HG21 VAL 55 HG21 VAL 55 -4.727 3.595 14.287 893 HG22 VAL 55 HG22 VAL 55 -5.802 2.707 13.202 894 HG23 VAL 55 HG23 VAL 55 -4.463 3.646 12.540 895 H ASP 56 H ASP 56 -1.006 1.075 15.522 896 HA ASP 56 HA ASP 56 0.123 -1.014 13.743 897 HB2 ASP 56 HB2 ASP 56 1.738 0.534 14.931 898 HB3 ASP 56 HB3 ASP 56 1.196 -0.155 16.460 899 H LEU 57 H LEU 57 -1.046 -2.769 13.855 900 HA LEU 57 HA LEU 57 -2.362 -3.734 16.268 901 HB2 LEU 57 HB2 LEU 57 -2.372 -4.904 13.455 902 HB3 LEU 57 HB3 LEU 57 -3.358 -5.460 14.794 903 HG LEU 57 HG LEU 57 -4.804 -4.217 13.381 904 HD11 LEU 57 HD11 LEU 57 -5.183 -3.742 15.742 905 HD12 LEU 57 HD12 LEU 57 -5.597 -2.355 14.735 906 HD13 LEU 57 HD13 LEU 57 -4.091 -2.354 15.660 907 HD21 LEU 57 HD21 LEU 57 -4.400 -1.926 12.612 908 HD22 LEU 57 HD22 LEU 57 -3.186 -3.056 12.012 909 HD23 LEU 57 HD23 LEU 57 -2.791 -1.959 13.342 910 H THR 58 H THR 58 0.715 -4.232 14.814 911 HA THR 58 HA THR 58 0.853 -7.092 15.520 912 HB THR 58 HB THR 58 1.768 -6.643 13.355 913 HG1 THR 58 HG1 THR 58 2.968 -8.107 14.798 914 HG21 THR 58 HG21 THR 58 3.661 -5.183 12.909 915 HG22 THR 58 HG22 THR 58 3.685 -4.660 14.596 916 HG23 THR 58 HG23 THR 58 2.307 -4.262 13.567 917 H THR 59 H THR 59 1.135 -4.326 17.214 918 HA THR 59 HA THR 59 3.268 -5.058 19.014 919 HB THR 59 HB THR 59 1.772 -3.409 20.558 920 HG1 THR 59 HG1 THR 59 1.030 -2.500 17.970 921 HG21 THR 59 HG21 THR 59 2.930 -1.449 19.613 922 HG22 THR 59 HG22 THR 59 3.367 -2.385 18.183 923 HG23 THR 59 HG23 THR 59 4.030 -2.823 19.760 924 H MET 60 H MET 60 -0.151 -5.692 18.611 925 HA MET 60 HA MET 60 0.030 -8.102 20.162 926 HB2 MET 60 HB2 MET 60 -0.538 -6.309 21.907 927 HB3 MET 60 HB3 MET 60 -2.044 -6.032 21.044 928 HG2 MET 60 HG2 MET 60 -2.788 -7.477 22.662 929 HG3 MET 60 HG3 MET 60 -2.330 -8.661 21.446 930 HE1 MET 60 HE1 MET 60 1.041 -10.092 22.985 931 HE2 MET 60 HE2 MET 60 0.883 -8.898 21.698 932 HE3 MET 60 HE3 MET 60 -0.170 -10.315 21.723 933 H THR 61 H THR 61 -0.610 -9.302 18.429 934 HA THR 61 HA THR 61 -1.989 -8.393 16.218 935 HB THR 61 HB THR 61 -1.856 -11.285 17.004 936 HG1 THR 61 HG1 THR 61 0.239 -11.328 16.415 937 HG21 THR 61 HG21 THR 61 -1.750 -9.982 14.267 938 HG22 THR 61 HG22 THR 61 -3.124 -10.872 14.924 939 HG23 THR 61 HG23 THR 61 -1.612 -11.715 14.581 940 H ALA 62 H ALA 62 -4.045 -8.754 15.379 941 HA ALA 62 HA ALA 62 -6.237 -9.412 17.236 942 HB1 ALA 62 HB1 ALA 62 -7.372 -7.274 16.732 943 HB2 ALA 62 HB2 ALA 62 -5.989 -6.751 15.764 944 HB3 ALA 62 HB3 ALA 62 -5.813 -6.995 17.504 Start of MODEL 20 1 H MET 1 H MET 1 -12.806 6.084 10.289 2 HA MET 1 HA MET 1 -12.219 7.770 8.684 3 HB2 MET 1 HB2 MET 1 -11.462 9.469 10.367 4 HB3 MET 1 HB3 MET 1 -10.044 8.489 10.699 5 HG2 MET 1 HG2 MET 1 -9.295 8.825 8.365 6 HG3 MET 1 HG3 MET 1 -10.685 9.879 8.096 7 HE1 MET 1 HE1 MET 1 -7.511 12.283 8.309 8 HE2 MET 1 HE2 MET 1 -8.789 11.685 7.250 9 HE3 MET 1 HE3 MET 1 -7.472 10.616 7.736 10 H TYR 2 H TYR 2 -10.647 7.212 7.079 11 HA TYR 2 HA TYR 2 -9.434 4.673 7.290 12 HB2 TYR 2 HB2 TYR 2 -8.165 5.426 5.129 13 HB3 TYR 2 HB3 TYR 2 -9.896 5.166 5.086 14 HD1 TYR 2 HD1 TYR 2 -7.715 8.143 5.959 15 HD2 TYR 2 HD2 TYR 2 -10.924 6.605 3.591 16 HE1 TYR 2 HE1 TYR 2 -8.014 10.349 4.921 17 HE2 TYR 2 HE2 TYR 2 -11.225 8.811 2.557 18 HH TYR 2 HH TYR 2 -10.761 11.153 3.089 19 H LYS 3 H LYS 3 -7.224 4.145 7.167 20 HA LYS 3 HA LYS 3 -5.157 5.791 8.131 21 HB2 LYS 3 HB2 LYS 3 -5.034 4.421 10.443 22 HB3 LYS 3 HB3 LYS 3 -5.929 5.918 10.318 23 HG2 LYS 3 HG2 LYS 3 -7.209 4.355 11.608 24 HG3 LYS 3 HG3 LYS 3 -8.034 4.612 10.068 25 HD2 LYS 3 HD2 LYS 3 -7.122 2.461 9.232 26 HD3 LYS 3 HD3 LYS 3 -6.299 2.213 10.781 27 HE2 LYS 3 HE2 LYS 3 -8.389 0.929 10.699 28 HE3 LYS 3 HE3 LYS 3 -8.495 2.186 11.931 29 HZ1 LYS 3 HZ1 LYS 3 -9.761 3.548 10.405 30 HZ2 LYS 3 HZ2 LYS 3 -10.503 2.039 10.594 31 HZ3 LYS 3 HZ3 LYS 3 -9.626 2.371 9.194 32 H PHE 4 H PHE 4 -3.364 4.281 9.076 33 HA PHE 4 HA PHE 4 -2.949 2.181 7.060 34 HB2 PHE 4 HB2 PHE 4 -0.919 3.630 8.820 35 HB3 PHE 4 HB3 PHE 4 -0.545 2.495 7.523 36 HD1 PHE 4 HD1 PHE 4 -0.832 3.153 5.160 37 HD2 PHE 4 HD2 PHE 4 -1.594 5.917 8.327 38 HE1 PHE 4 HE1 PHE 4 -0.782 5.012 3.557 39 HE2 PHE 4 HE2 PHE 4 -1.554 7.770 6.715 40 HZ PHE 4 HZ PHE 4 -1.143 7.318 4.336 41 H GLU 5 H GLU 5 -3.403 0.235 7.788 42 HA GLU 5 HA GLU 5 -3.170 -0.445 10.636 43 HB2 GLU 5 HB2 GLU 5 -4.631 -1.749 8.308 44 HB3 GLU 5 HB3 GLU 5 -4.374 -2.605 9.828 45 HG2 GLU 5 HG2 GLU 5 -5.557 -0.782 11.037 46 HG3 GLU 5 HG3 GLU 5 -5.858 0.027 9.496 47 H ILE 6 H ILE 6 -1.270 -1.258 11.248 48 HA ILE 6 HA ILE 6 0.547 -2.502 9.308 49 HB ILE 6 HB ILE 6 1.210 -1.572 12.144 50 HG12 ILE 6 HG12 ILE 6 1.780 -0.035 9.567 51 HG13 ILE 6 HG13 ILE 6 0.459 0.348 10.668 52 HG21 ILE 6 HG21 ILE 6 2.760 -3.273 11.226 53 HG22 ILE 6 HG22 ILE 6 3.572 -1.707 11.358 54 HG23 ILE 6 HG23 ILE 6 3.019 -2.280 9.784 55 HD11 ILE 6 HD11 ILE 6 2.097 0.809 12.435 56 HD12 ILE 6 HD12 ILE 6 2.356 1.809 11.009 57 HD13 ILE 6 HD13 ILE 6 3.407 0.428 11.313 58 H TYR 7 H TYR 7 0.432 -4.605 9.326 59 HA TYR 7 HA TYR 7 0.254 -6.098 11.848 60 HB2 TYR 7 HB2 TYR 7 -1.258 -7.738 10.811 61 HB3 TYR 7 HB3 TYR 7 -1.999 -6.147 10.834 62 HD1 TYR 7 HD1 TYR 7 -2.130 -4.801 8.679 63 HD2 TYR 7 HD2 TYR 7 -0.882 -8.894 8.706 64 HE1 TYR 7 HE1 TYR 7 -2.539 -4.953 6.259 65 HE2 TYR 7 HE2 TYR 7 -1.288 -9.033 6.291 66 HH TYR 7 HH TYR 7 -1.818 -6.309 4.351 67 H GLN 8 H GLN 8 0.904 -8.468 11.340 68 HA GLN 8 HA GLN 8 2.675 -8.660 8.979 69 HB2 GLN 8 HB2 GLN 8 4.256 -9.963 10.055 70 HB3 GLN 8 HB3 GLN 8 3.765 -8.930 11.395 71 HG2 GLN 8 HG2 GLN 8 2.242 -10.798 12.137 72 HG3 GLN 8 HG3 GLN 8 2.950 -11.802 10.884 73 HE21 GLN 8 HE21 GLN 8 5.130 -12.448 11.088 74 HE22 GLN 8 HE22 GLN 8 5.960 -12.403 12.591 75 H ASP 9 H ASP 9 2.403 -10.463 7.747 76 HA ASP 9 HA ASP 9 -0.235 -11.576 7.679 77 HB2 ASP 9 HB2 ASP 9 0.841 -10.719 5.630 78 HB3 ASP 9 HB3 ASP 9 2.191 -11.824 5.840 79 H LYS 10 H LYS 10 -0.538 -13.893 7.351 80 HA LYS 10 HA LYS 10 0.359 -15.559 9.331 81 HB2 LYS 10 HB2 LYS 10 -0.621 -17.420 7.910 82 HB3 LYS 10 HB3 LYS 10 -1.673 -16.049 8.194 83 HG2 LYS 10 HG2 LYS 10 -2.097 -16.271 5.959 84 HG3 LYS 10 HG3 LYS 10 -0.670 -15.250 5.827 85 HD2 LYS 10 HD2 LYS 10 -0.526 -17.089 4.230 86 HD3 LYS 10 HD3 LYS 10 0.734 -17.264 5.454 87 HE2 LYS 10 HE2 LYS 10 -0.569 -18.978 6.610 88 HE3 LYS 10 HE3 LYS 10 -1.923 -18.754 5.501 89 HZ1 LYS 10 HZ1 LYS 10 -0.564 -19.593 3.712 90 HZ2 LYS 10 HZ2 LYS 10 -0.585 -20.707 4.982 91 HZ3 LYS 10 HZ3 LYS 10 0.771 -19.735 4.736 92 H ALA 11 H ALA 11 1.760 -15.108 6.151 93 HA ALA 11 HA ALA 11 3.781 -17.155 6.288 94 HB1 ALA 11 HB1 ALA 11 2.939 -16.237 4.162 95 HB2 ALA 11 HB2 ALA 11 4.690 -16.048 4.282 96 HB3 ALA 11 HB3 ALA 11 3.628 -14.660 4.559 97 H GLY 12 H GLY 12 3.510 -14.659 8.299 98 HA2 GLY 12 HA2 GLY 12 4.841 -13.542 9.749 99 HA3 GLY 12 HA3 GLY 12 6.186 -14.510 9.186 100 H GLU 13 H GLU 13 4.121 -12.300 7.341 101 HA GLU 13 HA GLU 13 6.587 -10.855 6.467 102 HB2 GLU 13 HB2 GLU 13 3.957 -11.311 4.995 103 HB3 GLU 13 HB3 GLU 13 5.279 -10.311 4.389 104 HG2 GLU 13 HG2 GLU 13 5.432 -13.293 4.948 105 HG3 GLU 13 HG3 GLU 13 5.216 -12.550 3.362 106 H TYR 14 H TYR 14 6.697 -8.647 6.802 107 HA TYR 14 HA TYR 14 4.599 -7.553 8.540 108 HB2 TYR 14 HB2 TYR 14 7.463 -6.682 8.031 109 HB3 TYR 14 HB3 TYR 14 6.315 -5.604 8.817 110 HD1 TYR 14 HD1 TYR 14 5.454 -6.099 11.088 111 HD2 TYR 14 HD2 TYR 14 8.300 -8.690 9.198 112 HE1 TYR 14 HE1 TYR 14 5.916 -7.185 13.241 113 HE2 TYR 14 HE2 TYR 14 8.754 -9.765 11.364 114 HH TYR 14 HH TYR 14 8.564 -9.197 13.783 115 H ARG 15 H ARG 15 3.102 -6.413 7.679 116 HA ARG 15 HA ARG 15 3.385 -4.993 5.108 117 HB2 ARG 15 HB2 ARG 15 1.242 -7.066 5.751 118 HB3 ARG 15 HB3 ARG 15 1.244 -6.043 4.311 119 HG2 ARG 15 HG2 ARG 15 3.200 -7.114 3.444 120 HG3 ARG 15 HG3 ARG 15 3.503 -7.954 4.970 121 HD2 ARG 15 HD2 ARG 15 1.487 -9.281 4.672 122 HD3 ARG 15 HD3 ARG 15 1.103 -8.397 3.198 123 HE ARG 15 HE ARG 15 3.689 -9.588 3.048 124 HH11 ARG 15 HH11 ARG 15 0.286 -10.331 2.663 125 HH12 ARG 15 HH12 ARG 15 0.586 -11.749 1.711 126 HH21 ARG 15 HH21 ARG 15 4.070 -11.475 1.823 127 HH22 ARG 15 HH22 ARG 15 2.720 -12.402 1.249 128 H PHE 16 H PHE 16 2.332 -3.074 5.112 129 HA PHE 16 HA PHE 16 0.162 -2.635 7.072 130 HB2 PHE 16 HB2 PHE 16 0.609 -0.207 6.877 131 HB3 PHE 16 HB3 PHE 16 1.998 -1.079 7.500 132 HD1 PHE 16 HD1 PHE 16 4.054 -1.311 6.136 133 HD2 PHE 16 HD2 PHE 16 0.708 0.950 4.713 134 HE1 PHE 16 HE1 PHE 16 5.488 -0.238 4.451 135 HE2 PHE 16 HE2 PHE 16 2.153 2.015 3.029 136 HZ PHE 16 HZ PHE 16 4.538 1.426 2.898 137 H ARG 17 H ARG 17 -1.727 -1.830 6.325 138 HA ARG 17 HA ARG 17 -2.120 -1.596 3.403 139 HB2 ARG 17 HB2 ARG 17 -4.406 -2.474 3.756 140 HB3 ARG 17 HB3 ARG 17 -3.183 -3.642 4.236 141 HG2 ARG 17 HG2 ARG 17 -3.570 -3.114 6.603 142 HG3 ARG 17 HG3 ARG 17 -4.757 -1.886 6.149 143 HD2 ARG 17 HD2 ARG 17 -6.265 -3.537 5.288 144 HD3 ARG 17 HD3 ARG 17 -5.036 -4.802 5.371 145 HE ARG 17 HE ARG 17 -5.987 -3.514 7.848 146 HH11 ARG 17 HH11 ARG 17 -5.734 -6.397 5.859 147 HH12 ARG 17 HH12 ARG 17 -6.245 -7.460 7.130 148 HH21 ARG 17 HH21 ARG 17 -6.651 -4.913 9.503 149 HH22 ARG 17 HH22 ARG 17 -6.764 -6.618 9.190 150 H PHE 18 H PHE 18 -4.050 -0.214 2.892 151 HA PHE 18 HA PHE 18 -4.510 1.902 4.923 152 HB2 PHE 18 HB2 PHE 18 -2.997 2.782 3.142 153 HB3 PHE 18 HB3 PHE 18 -4.192 2.360 1.925 154 HD1 PHE 18 HD1 PHE 18 -4.519 4.070 5.256 155 HD2 PHE 18 HD2 PHE 18 -4.979 4.381 1.021 156 HE1 PHE 18 HE1 PHE 18 -5.482 6.304 5.523 157 HE2 PHE 18 HE2 PHE 18 -5.923 6.633 1.287 158 HZ PHE 18 HZ PHE 18 -6.207 7.586 3.544 159 H LYS 19 H LYS 19 -6.540 2.511 5.143 160 HA LYS 19 HA LYS 19 -8.580 0.711 4.031 161 HB2 LYS 19 HB2 LYS 19 -8.613 2.542 6.482 162 HB3 LYS 19 HB3 LYS 19 -9.864 1.371 6.042 163 HG2 LYS 19 HG2 LYS 19 -6.978 0.695 6.762 164 HG3 LYS 19 HG3 LYS 19 -8.377 0.496 7.825 165 HD2 LYS 19 HD2 LYS 19 -8.107 -0.900 5.124 166 HD3 LYS 19 HD3 LYS 19 -7.602 -1.647 6.634 167 HE2 LYS 19 HE2 LYS 19 -10.423 -0.628 6.175 168 HE3 LYS 19 HE3 LYS 19 -9.918 -2.254 5.753 169 HZ1 LYS 19 HZ1 LYS 19 -9.381 -2.685 8.036 170 HZ2 LYS 19 HZ2 LYS 19 -10.967 -2.111 7.944 171 HZ3 LYS 19 HZ3 LYS 19 -9.726 -1.090 8.473 172 H ALA 20 H ALA 20 -10.853 1.886 4.200 173 HA ALA 20 HA ALA 20 -10.813 4.510 2.851 174 HB1 ALA 20 HB1 ALA 20 -11.391 2.731 1.244 175 HB2 ALA 20 HB2 ALA 20 -12.776 3.782 1.544 176 HB3 ALA 20 HB3 ALA 20 -12.695 2.192 2.304 177 H SER 21 H SER 21 -13.971 4.251 3.141 178 HA SER 21 HA SER 21 -13.833 5.806 5.653 179 HB2 SER 21 HB2 SER 21 -15.988 6.825 4.803 180 HB3 SER 21 HB3 SER 21 -14.613 7.086 3.731 181 HG SER 21 HG SER 21 -16.918 6.033 3.092 182 H ASN 22 H ASN 22 -15.283 3.017 4.137 183 HA ASN 22 HA ASN 22 -17.166 2.518 6.375 184 HB2 ASN 22 HB2 ASN 22 -16.971 1.220 3.621 185 HB3 ASN 22 HB3 ASN 22 -18.198 0.850 4.831 186 HD21 ASN 22 HD21 ASN 22 -18.246 1.999 2.064 187 HD22 ASN 22 HD22 ASN 22 -19.232 3.419 2.190 188 H GLY 23 H GLY 23 -14.109 1.984 6.226 189 HA2 GLY 23 HA2 GLY 23 -12.679 0.402 7.068 190 HA3 GLY 23 HA3 GLY 23 -14.058 -0.626 7.425 191 H GLU 24 H GLU 24 -13.786 0.503 4.171 192 HA GLU 24 HA GLU 24 -13.166 -2.111 3.083 193 HB2 GLU 24 HB2 GLU 24 -13.317 0.627 1.748 194 HB3 GLU 24 HB3 GLU 24 -13.146 -0.899 0.882 195 HG2 GLU 24 HG2 GLU 24 -15.507 -0.097 2.618 196 HG3 GLU 24 HG3 GLU 24 -15.462 -0.050 0.856 197 H THR 25 H THR 25 -11.172 -2.739 1.997 198 HA THR 25 HA THR 25 -8.824 -0.995 2.576 199 HB THR 25 HB THR 25 -8.811 -4.003 2.108 200 HG1 THR 25 HG1 THR 25 -9.711 -3.544 4.097 201 HG21 THR 25 HG21 THR 25 -6.479 -3.945 2.844 202 HG22 THR 25 HG22 THR 25 -6.565 -2.192 3.022 203 HG23 THR 25 HG23 THR 25 -6.683 -2.921 1.417 204 H MET 26 H MET 26 -7.504 -0.417 0.979 205 HA MET 26 HA MET 26 -8.393 -0.939 -1.807 206 HB2 MET 26 HB2 MET 26 -7.439 1.445 -2.218 207 HB3 MET 26 HB3 MET 26 -9.007 1.273 -1.446 208 HG2 MET 26 HG2 MET 26 -7.719 3.006 -0.367 209 HG3 MET 26 HG3 MET 26 -7.955 1.666 0.759 210 HE1 MET 26 HE1 MET 26 -4.043 2.749 -1.347 211 HE2 MET 26 HE2 MET 26 -5.572 3.601 -1.509 212 HE3 MET 26 HE3 MET 26 -5.371 2.003 -2.228 213 H PHE 27 H PHE 27 -5.501 -0.596 0.265 214 HA PHE 27 HA PHE 27 -4.270 -2.489 -1.581 215 HB2 PHE 27 HB2 PHE 27 -2.256 -1.408 -2.069 216 HB3 PHE 27 HB3 PHE 27 -3.360 -0.049 -2.112 217 HD1 PHE 27 HD1 PHE 27 -3.244 1.666 -0.338 218 HD2 PHE 27 HD2 PHE 27 -0.508 -1.572 -0.311 219 HE1 PHE 27 HE1 PHE 27 -1.895 2.890 1.243 220 HE2 PHE 27 HE2 PHE 27 0.897 -0.352 1.311 221 HZ PHE 27 HZ PHE 27 0.212 1.884 2.097 222 H SER 28 H SER 28 -2.450 -3.469 -0.758 223 HA SER 28 HA SER 28 -1.750 -3.286 2.077 224 HB2 SER 28 HB2 SER 28 -3.286 -5.192 2.116 225 HB3 SER 28 HB3 SER 28 -2.551 -5.883 0.666 226 HG SER 28 HG SER 28 -0.966 -6.658 1.822 227 H SER 29 H SER 29 0.473 -3.828 2.365 228 HA SER 29 HA SER 29 2.081 -3.426 -0.011 229 HB2 SER 29 HB2 SER 29 2.627 -2.288 2.145 230 HB3 SER 29 HB3 SER 29 2.949 -3.857 2.886 231 HG SER 29 HG SER 29 4.396 -2.478 0.897 232 H GLU 30 H GLU 30 3.763 -4.891 -0.690 233 HA GLU 30 HA GLU 30 3.276 -7.691 -0.480 234 HB2 GLU 30 HB2 GLU 30 5.420 -7.926 -1.724 235 HB3 GLU 30 HB3 GLU 30 4.291 -6.815 -2.493 236 HG2 GLU 30 HG2 GLU 30 5.544 -4.896 -1.712 237 HG3 GLU 30 HG3 GLU 30 6.622 -5.927 -0.763 238 H GLY 31 H GLY 31 5.133 -5.420 1.329 239 HA2 GLY 31 HA2 GLY 31 5.328 -5.985 3.708 240 HA3 GLY 31 HA3 GLY 31 5.920 -7.564 3.228 241 H TYR 32 H TYR 32 6.839 -4.451 1.899 242 HA TYR 32 HA TYR 32 9.070 -3.835 1.412 243 HB2 TYR 32 HB2 TYR 32 7.611 -2.173 2.525 244 HB3 TYR 32 HB3 TYR 32 8.244 -2.675 4.090 245 HD1 TYR 32 HD1 TYR 32 10.027 -1.983 0.845 246 HD2 TYR 32 HD2 TYR 32 9.427 -0.782 4.907 247 HE1 TYR 32 HE1 TYR 32 11.752 -0.251 0.597 248 HE2 TYR 32 HE2 TYR 32 11.156 0.946 4.653 249 HH TYR 32 HH TYR 32 12.360 1.909 1.651 250 H LYS 33 H LYS 33 9.161 -4.564 4.963 251 HA LYS 33 HA LYS 33 11.566 -6.130 4.783 252 HB2 LYS 33 HB2 LYS 33 12.554 -3.898 4.345 253 HB3 LYS 33 HB3 LYS 33 11.853 -3.279 5.831 254 HG2 LYS 33 HG2 LYS 33 14.211 -3.689 6.172 255 HG3 LYS 33 HG3 LYS 33 13.284 -4.829 7.146 256 HD2 LYS 33 HD2 LYS 33 15.204 -5.946 6.099 257 HD3 LYS 33 HD3 LYS 33 13.693 -6.604 5.474 258 HE2 LYS 33 HE2 LYS 33 13.933 -5.284 3.420 259 HE3 LYS 33 HE3 LYS 33 15.402 -4.531 4.045 260 HZ1 LYS 33 HZ1 LYS 33 15.073 -7.439 3.541 261 HZ2 LYS 33 HZ2 LYS 33 16.498 -6.650 4.009 262 HZ3 LYS 33 HZ3 LYS 33 15.823 -6.352 2.486 263 H ALA 34 H ALA 34 10.200 -3.792 7.199 264 HA ALA 34 HA ALA 34 9.761 -5.910 9.179 265 HB1 ALA 34 HB1 ALA 34 11.341 -4.970 10.825 266 HB2 ALA 34 HB2 ALA 34 11.890 -3.783 9.635 267 HB3 ALA 34 HB3 ALA 34 12.189 -5.501 9.373 268 H LYS 35 H LYS 35 9.188 -4.669 11.487 269 HA LYS 35 HA LYS 35 6.888 -3.157 10.971 270 HB2 LYS 35 HB2 LYS 35 6.982 -4.604 12.876 271 HB3 LYS 35 HB3 LYS 35 8.505 -3.930 13.424 272 HG2 LYS 35 HG2 LYS 35 6.724 -3.241 14.903 273 HG3 LYS 35 HG3 LYS 35 7.373 -1.837 14.049 274 HD2 LYS 35 HD2 LYS 35 5.454 -1.962 12.463 275 HD3 LYS 35 HD3 LYS 35 4.779 -3.295 13.417 276 HE2 LYS 35 HE2 LYS 35 5.236 -0.434 14.328 277 HE3 LYS 35 HE3 LYS 35 3.682 -1.206 14.024 278 HZ1 LYS 35 HZ1 LYS 35 4.073 -2.663 15.878 279 HZ2 LYS 35 HZ2 LYS 35 4.214 -1.054 16.378 280 HZ3 LYS 35 HZ3 LYS 35 5.597 -1.992 16.143 281 H ALA 36 H ALA 36 10.021 -2.249 12.461 282 HA ALA 36 HA ALA 36 9.654 0.480 12.742 283 HB1 ALA 36 HB1 ALA 36 11.574 -0.751 13.633 284 HB2 ALA 36 HB2 ALA 36 12.108 0.655 12.708 285 HB3 ALA 36 HB3 ALA 36 12.215 -0.962 12.003 286 H SER 37 H SER 37 10.792 -1.304 9.899 287 HA SER 37 HA SER 37 11.252 0.895 8.167 288 HB2 SER 37 HB2 SER 37 10.593 -1.997 7.459 289 HB3 SER 37 HB3 SER 37 11.345 -0.808 6.389 290 HG SER 37 HG SER 37 13.194 -1.028 7.419 291 H ALA 38 H ALA 38 8.352 -0.840 9.100 292 HA ALA 38 HA ALA 38 6.682 -0.127 6.918 293 HB1 ALA 38 HB1 ALA 38 6.089 -1.991 8.377 294 HB2 ALA 38 HB2 ALA 38 4.799 -0.787 8.382 295 HB3 ALA 38 HB3 ALA 38 5.904 -0.898 9.757 296 H ILE 39 H ILE 39 6.942 1.273 10.269 297 HA ILE 39 HA ILE 39 5.312 3.465 9.909 298 HB ILE 39 HB ILE 39 7.719 3.061 11.717 299 HG12 ILE 39 HG12 ILE 39 5.840 3.352 13.508 300 HG13 ILE 39 HG13 ILE 39 4.707 3.216 12.161 301 HG21 ILE 39 HG21 ILE 39 6.098 5.621 11.630 302 HG22 ILE 39 HG22 ILE 39 7.818 5.443 11.273 303 HG23 ILE 39 HG23 ILE 39 7.227 5.181 12.915 304 HD11 ILE 39 HD11 ILE 39 5.025 1.128 13.348 305 HD12 ILE 39 HD12 ILE 39 6.745 1.152 12.958 306 HD13 ILE 39 HD13 ILE 39 5.547 1.004 11.669 307 H HIS 40 H HIS 40 8.846 3.284 9.292 308 HA HIS 40 HA HIS 40 9.246 5.959 8.530 309 HB2 HIS 40 HB2 HIS 40 10.793 3.455 7.737 310 HB3 HIS 40 HB3 HIS 40 11.327 5.082 7.332 311 HD1 HIS 40 HD1 HIS 40 11.107 6.627 9.843 312 HD2 HIS 40 HD2 HIS 40 12.238 2.641 9.859 313 HE1 HIS 40 HE1 HIS 40 12.363 6.302 11.979 314 HE2 HIS 40 HE2 HIS 40 12.905 3.847 12.042 315 H ALA 41 H ALA 41 8.365 3.119 6.563 316 HA ALA 41 HA ALA 41 8.173 4.335 4.070 317 HB1 ALA 41 HB1 ALA 41 6.476 2.069 5.194 318 HB2 ALA 41 HB2 ALA 41 8.058 1.883 4.434 319 HB3 ALA 41 HB3 ALA 41 6.687 2.460 3.484 320 H ILE 42 H ILE 42 5.588 3.838 6.501 321 HA ILE 42 HA ILE 42 3.547 5.219 5.206 322 HB ILE 42 HB ILE 42 3.989 4.737 8.170 323 HG12 ILE 42 HG12 ILE 42 2.106 3.261 6.275 324 HG13 ILE 42 HG13 ILE 42 3.768 2.741 6.531 325 HG21 ILE 42 HG21 ILE 42 1.557 5.149 8.473 326 HG22 ILE 42 HG22 ILE 42 1.438 5.659 6.785 327 HG23 ILE 42 HG23 ILE 42 2.409 6.593 7.928 328 HD11 ILE 42 HD11 ILE 42 1.662 2.943 8.672 329 HD12 ILE 42 HD12 ILE 42 3.319 2.357 8.868 330 HD13 ILE 42 HD13 ILE 42 2.183 1.474 7.852 331 H GLU 43 H GLU 43 6.266 6.435 7.001 332 HA GLU 43 HA GLU 43 5.227 9.012 7.617 333 HB2 GLU 43 HB2 GLU 43 8.087 8.002 7.486 334 HB3 GLU 43 HB3 GLU 43 7.686 9.668 7.910 335 HG2 GLU 43 HG2 GLU 43 6.281 8.752 9.803 336 HG3 GLU 43 HG3 GLU 43 6.923 7.156 9.438 337 H SER 44 H SER 44 6.999 7.656 4.831 338 HA SER 44 HA SER 44 7.293 9.927 3.242 339 HB2 SER 44 HB2 SER 44 6.610 7.059 2.547 340 HB3 SER 44 HB3 SER 44 6.778 8.262 1.278 341 HG SER 44 HG SER 44 8.742 7.509 3.214 342 H ILE 45 H ILE 45 4.356 8.034 3.905 343 HA ILE 45 HA ILE 45 2.825 9.209 1.820 344 HB ILE 45 HB ILE 45 1.397 8.035 4.253 345 HG12 ILE 45 HG12 ILE 45 3.330 6.440 3.641 346 HG13 ILE 45 HG13 ILE 45 1.718 5.751 3.539 347 HG21 ILE 45 HG21 ILE 45 -0.119 7.220 2.451 348 HG22 ILE 45 HG22 ILE 45 0.955 7.956 1.240 349 HG23 ILE 45 HG23 ILE 45 0.099 8.974 2.410 350 HD11 ILE 45 HD11 ILE 45 3.403 6.681 1.229 351 HD12 ILE 45 HD12 ILE 45 1.775 6.005 1.106 352 HD13 ILE 45 HD13 ILE 45 3.097 5.017 1.718 353 H LYS 46 H LYS 46 3.192 9.803 5.305 354 HA LYS 46 HA LYS 46 1.241 11.742 5.665 355 HB2 LYS 46 HB2 LYS 46 3.818 11.716 7.273 356 HB3 LYS 46 HB3 LYS 46 2.205 12.187 7.792 357 HG2 LYS 46 HG2 LYS 46 3.279 9.390 7.349 358 HG3 LYS 46 HG3 LYS 46 2.692 10.108 8.853 359 HD2 LYS 46 HD2 LYS 46 1.015 9.402 6.407 360 HD3 LYS 46 HD3 LYS 46 1.051 8.518 7.936 361 HE2 LYS 46 HE2 LYS 46 0.224 11.430 7.781 362 HE3 LYS 46 HE3 LYS 46 -0.897 10.114 7.528 363 HZ1 LYS 46 HZ1 LYS 46 -0.867 10.951 9.811 364 HZ2 LYS 46 HZ2 LYS 46 0.742 10.450 9.968 365 HZ3 LYS 46 HZ3 LYS 46 -0.485 9.311 9.712 366 H ARG 47 H ARG 47 4.315 12.013 4.232 367 HA ARG 47 HA ARG 47 5.001 14.701 4.791 368 HB2 ARG 47 HB2 ARG 47 5.869 12.977 2.435 369 HB3 ARG 47 HB3 ARG 47 6.598 14.517 2.872 370 HG2 ARG 47 HG2 ARG 47 6.626 11.998 4.537 371 HG3 ARG 47 HG3 ARG 47 7.975 12.660 3.620 372 HD2 ARG 47 HD2 ARG 47 6.616 14.086 5.932 373 HD3 ARG 47 HD3 ARG 47 8.086 13.122 6.084 374 HE ARG 47 HE ARG 47 8.495 15.058 4.090 375 HH11 ARG 47 HH11 ARG 47 8.070 14.950 7.572 376 HH12 ARG 47 HH12 ARG 47 9.023 16.373 7.850 377 HH21 ARG 47 HH21 ARG 47 9.740 16.914 4.470 378 HH22 ARG 47 HH22 ARG 47 9.971 17.477 6.098 379 H ASN 48 H ASN 48 3.496 13.334 1.843 380 HA ASN 48 HA ASN 48 1.925 15.580 1.155 381 HB2 ASN 48 HB2 ASN 48 4.228 16.642 0.814 382 HB3 ASN 48 HB3 ASN 48 4.474 15.533 -0.527 383 HD21 ASN 48 HD21 ASN 48 4.585 17.071 -2.134 384 HD22 ASN 48 HD22 ASN 48 3.264 18.080 -2.597 385 H SER 49 H SER 49 2.082 12.574 1.040 386 HA SER 49 HA SER 49 2.215 11.640 -1.635 387 HB2 SER 49 HB2 SER 49 2.459 10.216 0.359 388 HB3 SER 49 HB3 SER 49 0.750 10.432 0.726 389 HG SER 49 HG SER 49 1.860 8.638 -0.841 390 H ALA 50 H ALA 50 -0.515 12.811 0.316 391 HA ALA 50 HA ALA 50 -2.588 12.289 -1.494 392 HB1 ALA 50 HB1 ALA 50 -3.880 13.924 -0.211 393 HB2 ALA 50 HB2 ALA 50 -2.396 14.531 0.530 394 HB3 ALA 50 HB3 ALA 50 -2.940 12.884 0.861 395 H GLY 51 H GLY 51 -0.116 14.724 -1.602 396 HA2 GLY 51 HA2 GLY 51 -1.347 16.051 -3.953 397 HA3 GLY 51 HA3 GLY 51 0.029 16.637 -3.036 398 H ALA 52 H ALA 52 0.720 13.478 -3.386 399 HA ALA 52 HA ALA 52 2.771 13.860 -5.343 400 HB1 ALA 52 HB1 ALA 52 3.244 11.463 -4.971 401 HB2 ALA 52 HB2 ALA 52 1.718 11.291 -4.083 402 HB3 ALA 52 HB3 ALA 52 3.014 12.310 -3.440 403 H ASP 53 H ASP 53 2.851 13.229 -7.498 404 HA ASP 53 HA ASP 53 0.427 12.994 -8.959 405 HB2 ASP 53 HB2 ASP 53 2.537 14.075 -9.816 406 HB3 ASP 53 HB3 ASP 53 3.260 12.481 -9.972 407 H THR 54 H THR 54 -0.223 11.226 -10.383 408 HA THR 54 HA THR 54 0.563 8.527 -9.425 409 HB THR 54 HB THR 54 -2.037 9.441 -10.723 410 HG1 THR 54 HG1 THR 54 -1.169 9.162 -8.065 411 HG21 THR 54 HG21 THR 54 -1.694 7.063 -11.192 412 HG22 THR 54 HG22 THR 54 -2.939 7.239 -9.945 413 HG23 THR 54 HG23 THR 54 -1.300 6.763 -9.496 414 H VAL 55 H VAL 55 2.207 7.993 -10.737 415 HA VAL 55 HA VAL 55 2.186 8.456 -13.635 416 HB VAL 55 HB VAL 55 4.372 7.396 -11.771 417 HG11 VAL 55 HG11 VAL 55 4.591 8.214 -14.694 418 HG12 VAL 55 HG12 VAL 55 4.745 6.575 -14.059 419 HG13 VAL 55 HG13 VAL 55 5.949 7.797 -13.645 420 HG21 VAL 55 HG21 VAL 55 4.054 10.169 -12.987 421 HG22 VAL 55 HG22 VAL 55 5.419 9.622 -12.007 422 HG23 VAL 55 HG23 VAL 55 3.812 9.747 -11.288 423 H ASP 56 H ASP 56 1.756 6.848 -15.039 424 HA ASP 56 HA ASP 56 1.746 4.013 -14.177 425 HB2 ASP 56 HB2 ASP 56 -0.393 4.543 -15.042 426 HB3 ASP 56 HB3 ASP 56 0.276 5.476 -16.387 427 H LEU 57 H LEU 57 3.394 2.778 -14.799 428 HA LEU 57 HA LEU 57 4.903 3.297 -17.245 429 HB2 LEU 57 HB2 LEU 57 5.354 1.148 -15.132 430 HB3 LEU 57 HB3 LEU 57 6.441 1.556 -16.445 431 HG LEU 57 HG LEU 57 7.434 2.496 -14.524 432 HD11 LEU 57 HD11 LEU 57 7.480 4.080 -16.365 433 HD12 LEU 57 HD12 LEU 57 7.399 4.929 -14.820 434 HD13 LEU 57 HD13 LEU 57 5.954 4.794 -15.828 435 HD21 LEU 57 HD21 LEU 57 6.302 3.875 -12.848 436 HD22 LEU 57 HD22 LEU 57 5.576 2.274 -12.970 437 HD23 LEU 57 HD23 LEU 57 4.767 3.664 -13.697 438 H THR 58 H THR 58 2.342 1.047 -16.178 439 HA THR 58 HA THR 58 3.494 -1.205 -17.637 440 HB THR 58 HB THR 58 2.541 -1.698 -15.459 441 HG1 THR 58 HG1 THR 58 2.435 -3.420 -16.837 442 HG21 THR 58 HG21 THR 58 -0.174 -0.930 -16.567 443 HG22 THR 58 HG22 THR 58 0.723 -0.047 -15.325 444 HG23 THR 58 HG23 THR 58 0.136 -1.681 -15.002 445 H THR 59 H THR 59 1.146 1.246 -18.378 446 HA THR 59 HA THR 59 0.254 -0.302 -20.749 447 HB THR 59 HB THR 59 -2.038 0.687 -20.565 448 HG1 THR 59 HG1 THR 59 -1.009 1.667 -18.112 449 HG21 THR 59 HG21 THR 59 -1.680 -1.601 -19.714 450 HG22 THR 59 HG22 THR 59 -2.887 -0.750 -18.750 451 HG23 THR 59 HG23 THR 59 -1.247 -0.954 -18.130 452 H MET 60 H MET 60 1.516 2.558 -19.434 453 HA MET 60 HA MET 60 0.777 4.433 -21.476 454 HB2 MET 60 HB2 MET 60 1.445 5.089 -19.144 455 HB3 MET 60 HB3 MET 60 3.074 4.520 -19.465 456 HG2 MET 60 HG2 MET 60 3.327 6.799 -19.732 457 HG3 MET 60 HG3 MET 60 3.013 6.321 -21.395 458 HE1 MET 60 HE1 MET 60 1.001 7.303 -22.815 459 HE2 MET 60 HE2 MET 60 -0.521 7.815 -22.092 460 HE3 MET 60 HE3 MET 60 0.001 6.137 -21.948 461 H THR 61 H THR 61 3.673 2.533 -20.713 462 HA THR 61 HA THR 61 4.714 2.895 -23.453 463 HB THR 61 HB THR 61 7.054 2.903 -22.369 464 HG1 THR 61 HG1 THR 61 5.649 3.785 -20.059 465 HG21 THR 61 HG21 THR 61 7.030 5.333 -21.886 466 HG22 THR 61 HG22 THR 61 5.267 5.310 -21.823 467 HG23 THR 61 HG23 THR 61 6.100 4.967 -23.342 468 H ALA 62 H ALA 62 5.662 1.114 -20.498 469 HA ALA 62 HA ALA 62 5.060 -1.486 -21.460 470 HB1 ALA 62 HB1 ALA 62 8.001 -0.708 -21.614 471 HB2 ALA 62 HB2 ALA 62 6.961 -1.068 -22.992 472 HB3 ALA 62 HB3 ALA 62 7.356 -2.338 -21.830 473 H MET 1 H MET 1 10.631 14.691 -7.326 474 HA MET 1 HA MET 1 9.411 15.016 -5.307 475 HB2 MET 1 HB2 MET 1 7.832 16.742 -6.232 476 HB3 MET 1 HB3 MET 1 7.007 15.483 -7.135 477 HG2 MET 1 HG2 MET 1 6.420 14.400 -4.951 478 HG3 MET 1 HG3 MET 1 7.120 15.788 -4.124 479 HE1 MET 1 HE1 MET 1 6.213 18.213 -6.085 480 HE2 MET 1 HE2 MET 1 6.130 18.289 -4.323 481 HE3 MET 1 HE3 MET 1 4.714 18.695 -5.289 482 H TYR 2 H TYR 2 8.455 13.192 -4.346 483 HA TYR 2 HA TYR 2 8.393 10.713 -5.679 484 HB2 TYR 2 HB2 TYR 2 6.998 10.011 -3.536 485 HB3 TYR 2 HB3 TYR 2 8.697 10.414 -3.409 486 HD1 TYR 2 HD1 TYR 2 5.495 12.444 -3.370 487 HD2 TYR 2 HD2 TYR 2 9.178 11.501 -1.418 488 HE1 TYR 2 HE1 TYR 2 5.007 14.101 -1.625 489 HE2 TYR 2 HE2 TYR 2 8.684 13.157 0.318 490 HH TYR 2 HH TYR 2 5.673 14.535 0.737 491 H LYS 3 H LYS 3 6.544 9.273 -5.846 492 HA LYS 3 HA LYS 3 3.935 10.197 -6.400 493 HB2 LYS 3 HB2 LYS 3 4.196 9.697 -9.010 494 HB3 LYS 3 HB3 LYS 3 4.530 11.298 -8.379 495 HG2 LYS 3 HG2 LYS 3 6.224 10.711 -9.998 496 HG3 LYS 3 HG3 LYS 3 6.970 10.770 -8.401 497 HD2 LYS 3 HD2 LYS 3 6.815 8.265 -8.290 498 HD3 LYS 3 HD3 LYS 3 6.172 8.265 -9.936 499 HE2 LYS 3 HE2 LYS 3 8.905 9.275 -9.086 500 HE3 LYS 3 HE3 LYS 3 8.571 7.758 -9.921 501 HZ1 LYS 3 HZ1 LYS 3 8.022 10.462 -11.007 502 HZ2 LYS 3 HZ2 LYS 3 7.766 8.998 -11.809 503 HZ3 LYS 3 HZ3 LYS 3 9.333 9.488 -11.420 504 H PHE 4 H PHE 4 2.806 8.490 -7.876 505 HA PHE 4 HA PHE 4 3.374 5.859 -6.691 506 HB2 PHE 4 HB2 PHE 4 0.848 7.084 -7.877 507 HB3 PHE 4 HB3 PHE 4 0.962 5.396 -7.371 508 HD1 PHE 4 HD1 PHE 4 1.308 4.819 -5.008 509 HD2 PHE 4 HD2 PHE 4 0.621 8.891 -6.189 510 HE1 PHE 4 HE1 PHE 4 0.813 5.415 -2.685 511 HE2 PHE 4 HE2 PHE 4 0.154 9.465 -3.851 512 HZ PHE 4 HZ PHE 4 0.243 7.728 -2.110 513 H GLU 5 H GLU 5 4.509 4.593 -7.969 514 HA GLU 5 HA GLU 5 4.381 4.838 -10.900 515 HB2 GLU 5 HB2 GLU 5 6.313 3.396 -9.047 516 HB3 GLU 5 HB3 GLU 5 6.352 3.202 -10.797 517 HG2 GLU 5 HG2 GLU 5 6.790 5.613 -11.051 518 HG3 GLU 5 HG3 GLU 5 6.766 5.807 -9.294 519 H ILE 6 H ILE 6 2.890 3.601 -11.867 520 HA ILE 6 HA ILE 6 1.823 1.195 -10.552 521 HB ILE 6 HB ILE 6 0.685 2.658 -12.981 522 HG12 ILE 6 HG12 ILE 6 -0.347 2.963 -10.127 523 HG13 ILE 6 HG13 ILE 6 0.803 4.096 -10.834 524 HG21 ILE 6 HG21 ILE 6 -0.054 0.304 -12.736 525 HG22 ILE 6 HG22 ILE 6 -1.400 1.415 -12.441 526 HG23 ILE 6 HG23 ILE 6 -0.588 0.636 -11.082 527 HD11 ILE 6 HD11 ILE 6 -0.813 4.657 -12.565 528 HD12 ILE 6 HD12 ILE 6 -1.485 4.899 -10.953 529 HD13 ILE 6 HD13 ILE 6 -1.948 3.486 -11.892 530 H TYR 7 H TYR 7 2.747 -0.580 -11.244 531 HA TYR 7 HA TYR 7 3.299 -0.982 -14.095 532 HB2 TYR 7 HB2 TYR 7 5.407 -2.119 -13.573 533 HB3 TYR 7 HB3 TYR 7 5.459 -0.456 -13.021 534 HD1 TYR 7 HD1 TYR 7 5.098 0.000 -10.501 535 HD2 TYR 7 HD2 TYR 7 5.862 -3.908 -12.051 536 HE1 TYR 7 HE1 TYR 7 5.795 -0.759 -8.267 537 HE2 TYR 7 HE2 TYR 7 6.553 -4.657 -9.819 538 HH TYR 7 HH TYR 7 5.937 -2.952 -7.024 539 H GLN 8 H GLN 8 3.673 -3.434 -14.427 540 HA GLN 8 HA GLN 8 2.284 -5.049 -12.379 541 HB2 GLN 8 HB2 GLN 8 1.256 -6.445 -13.908 542 HB3 GLN 8 HB3 GLN 8 1.219 -4.936 -14.819 543 HG2 GLN 8 HG2 GLN 8 3.318 -5.743 -15.998 544 HG3 GLN 8 HG3 GLN 8 3.089 -7.289 -15.194 545 HE21 GLN 8 HE21 GLN 8 1.263 -8.586 -15.769 546 HE22 GLN 8 HE22 GLN 8 0.413 -8.338 -17.247 547 H ASP 9 H ASP 9 3.316 -6.896 -11.774 548 HA ASP 9 HA ASP 9 6.179 -6.854 -11.888 549 HB2 ASP 9 HB2 ASP 9 4.972 -7.189 -9.748 550 HB3 ASP 9 HB3 ASP 9 4.158 -8.606 -10.401 551 H LYS 10 H LYS 10 7.376 -8.871 -12.310 552 HA LYS 10 HA LYS 10 7.083 -9.990 -14.800 553 HB2 LYS 10 HB2 LYS 10 9.164 -9.974 -13.471 554 HB3 LYS 10 HB3 LYS 10 8.482 -11.174 -12.379 555 HG2 LYS 10 HG2 LYS 10 8.357 -12.781 -14.304 556 HG3 LYS 10 HG3 LYS 10 9.186 -11.579 -15.304 557 HD2 LYS 10 HD2 LYS 10 10.286 -12.920 -12.795 558 HD3 LYS 10 HD3 LYS 10 10.763 -13.273 -14.459 559 HE2 LYS 10 HE2 LYS 10 11.625 -10.954 -14.696 560 HE3 LYS 10 HE3 LYS 10 11.184 -10.625 -13.018 561 HZ1 LYS 10 HZ1 LYS 10 13.506 -11.143 -13.188 562 HZ2 LYS 10 HZ2 LYS 10 13.174 -12.604 -13.968 563 HZ3 LYS 10 HZ3 LYS 10 12.731 -12.392 -12.353 564 H ALA 11 H ALA 11 5.841 -11.189 -11.733 565 HA ALA 11 HA ALA 11 4.765 -13.683 -12.646 566 HB1 ALA 11 HB1 ALA 11 5.319 -13.225 -10.285 567 HB2 ALA 11 HB2 ALA 11 3.641 -13.736 -10.456 568 HB3 ALA 11 HB3 ALA 11 4.021 -12.026 -10.204 569 H GLY 12 H GLY 12 3.886 -10.771 -13.728 570 HA2 GLY 12 HA2 GLY 12 2.130 -9.870 -14.843 571 HA3 GLY 12 HA3 GLY 12 1.307 -11.407 -14.691 572 H GLU 13 H GLU 13 2.477 -9.268 -12.108 573 HA GLU 13 HA GLU 13 -0.290 -9.281 -10.980 574 HB2 GLU 13 HB2 GLU 13 1.446 -10.517 -9.660 575 HB3 GLU 13 HB3 GLU 13 2.367 -9.027 -9.500 576 HG2 GLU 13 HG2 GLU 13 1.182 -9.341 -7.458 577 HG3 GLU 13 HG3 GLU 13 0.406 -8.009 -8.306 578 H TYR 14 H TYR 14 -1.263 -7.305 -10.573 579 HA TYR 14 HA TYR 14 0.134 -4.989 -11.717 580 HB2 TYR 14 HB2 TYR 14 -2.810 -5.536 -11.217 581 HB3 TYR 14 HB3 TYR 14 -2.243 -3.881 -11.427 582 HD1 TYR 14 HD1 TYR 14 -1.095 -3.224 -13.588 583 HD2 TYR 14 HD2 TYR 14 -3.061 -6.992 -13.158 584 HE1 TYR 14 HE1 TYR 14 -1.105 -3.498 -16.030 585 HE2 TYR 14 HE2 TYR 14 -3.061 -7.269 -15.600 586 HH TYR 14 HH TYR 14 -1.187 -5.428 -17.669 587 H ARG 15 H ARG 15 1.107 -3.693 -10.447 588 HA ARG 15 HA ARG 15 0.492 -3.428 -7.576 589 HB2 ARG 15 HB2 ARG 15 3.184 -4.243 -8.755 590 HB3 ARG 15 HB3 ARG 15 2.981 -3.692 -7.092 591 HG2 ARG 15 HG2 ARG 15 1.595 -5.592 -6.559 592 HG3 ARG 15 HG3 ARG 15 1.556 -6.107 -8.246 593 HD2 ARG 15 HD2 ARG 15 3.769 -6.850 -8.211 594 HD3 ARG 15 HD3 ARG 15 4.186 -5.856 -6.814 595 HE ARG 15 HE ARG 15 2.204 -7.899 -6.281 596 HH11 ARG 15 HH11 ARG 15 5.671 -7.313 -6.368 597 HH12 ARG 15 HH12 ARG 15 6.021 -8.535 -5.190 598 HH21 ARG 15 HH21 ARG 15 2.677 -9.471 -4.719 599 HH22 ARG 15 HH22 ARG 15 4.326 -9.755 -4.253 600 H PHE 16 H PHE 16 0.679 -1.345 -6.897 601 HA PHE 16 HA PHE 16 2.385 0.492 -8.453 602 HB2 PHE 16 HB2 PHE 16 1.070 2.371 -7.743 603 HB3 PHE 16 HB3 PHE 16 -0.034 1.183 -8.399 604 HD1 PHE 16 HD1 PHE 16 1.117 2.819 -5.240 605 HD2 PHE 16 HD2 PHE 16 -1.822 0.294 -7.041 606 HE1 PHE 16 HE1 PHE 16 -0.326 3.066 -3.263 607 HE2 PHE 16 HE2 PHE 16 -3.242 0.531 -5.051 608 HZ PHE 16 HZ PHE 16 -2.499 1.924 -3.161 609 H ARG 17 H ARG 17 3.858 1.690 -7.373 610 HA ARG 17 HA ARG 17 4.331 1.101 -4.512 611 HB2 ARG 17 HB2 ARG 17 6.747 1.334 -4.972 612 HB3 ARG 17 HB3 ARG 17 6.047 0.014 -5.904 613 HG2 ARG 17 HG2 ARG 17 6.081 1.373 -7.929 614 HG3 ARG 17 HG3 ARG 17 6.657 2.775 -7.022 615 HD2 ARG 17 HD2 ARG 17 8.474 1.610 -8.281 616 HD3 ARG 17 HD3 ARG 17 8.771 1.666 -6.539 617 HE ARG 17 HE ARG 17 7.456 -0.753 -7.308 618 HH11 ARG 17 HH11 ARG 17 10.633 0.743 -7.178 619 HH12 ARG 17 HH12 ARG 17 11.464 -0.777 -7.245 620 HH21 ARG 17 HH21 ARG 17 8.565 -2.713 -7.391 621 HH22 ARG 17 HH22 ARG 17 10.300 -2.730 -7.353 622 H PHE 18 H PHE 18 5.608 2.873 -3.453 623 HA PHE 18 HA PHE 18 5.071 5.537 -4.647 624 HB2 PHE 18 HB2 PHE 18 3.459 5.126 -2.786 625 HB3 PHE 18 HB3 PHE 18 4.805 4.834 -1.694 626 HD1 PHE 18 HD1 PHE 18 4.238 7.526 -4.257 627 HD2 PHE 18 HD2 PHE 18 4.774 6.585 -0.124 628 HE1 PHE 18 HE1 PHE 18 4.241 9.914 -3.706 629 HE2 PHE 18 HE2 PHE 18 4.742 8.971 0.429 630 HZ PHE 18 HZ PHE 18 4.509 10.645 -1.370 631 H LYS 19 H LYS 19 6.683 6.922 -4.529 632 HA LYS 19 HA LYS 19 9.335 5.803 -3.918 633 HB2 LYS 19 HB2 LYS 19 8.501 8.185 -5.653 634 HB3 LYS 19 HB3 LYS 19 10.132 7.512 -5.518 635 HG2 LYS 19 HG2 LYS 19 7.691 6.057 -6.617 636 HG3 LYS 19 HG3 LYS 19 9.013 6.730 -7.582 637 HD2 LYS 19 HD2 LYS 19 9.460 4.606 -5.435 638 HD3 LYS 19 HD3 LYS 19 9.107 4.182 -7.106 639 HE2 LYS 19 HE2 LYS 19 11.418 6.003 -6.372 640 HE3 LYS 19 HE3 LYS 19 11.570 4.252 -6.395 641 HZ1 LYS 19 HZ1 LYS 19 12.280 5.196 -8.482 642 HZ2 LYS 19 HZ2 LYS 19 10.790 5.969 -8.687 643 HZ3 LYS 19 HZ3 LYS 19 10.874 4.284 -8.732 644 H ALA 20 H ALA 20 10.954 7.754 -3.554 645 HA ALA 20 HA ALA 20 9.995 9.572 -1.429 646 HB1 ALA 20 HB1 ALA 20 12.664 8.121 -1.543 647 HB2 ALA 20 HB2 ALA 20 11.333 7.739 -0.451 648 HB3 ALA 20 HB3 ALA 20 12.177 9.283 -0.307 649 H SER 21 H SER 21 12.969 10.670 -1.575 650 HA SER 21 HA SER 21 12.079 12.750 -3.471 651 HB2 SER 21 HB2 SER 21 13.785 14.167 -2.187 652 HB3 SER 21 HB3 SER 21 12.382 13.635 -1.263 653 HG SER 21 HG SER 21 14.003 13.136 0.050 654 H ASN 22 H ASN 22 14.600 10.424 -2.827 655 HA ASN 22 HA ASN 22 16.363 11.448 -4.978 656 HB2 ASN 22 HB2 ASN 22 16.913 9.334 -2.848 657 HB3 ASN 22 HB3 ASN 22 18.087 9.957 -4.002 658 HD21 ASN 22 HD21 ASN 22 18.118 9.950 -1.081 659 HD22 ASN 22 HD22 ASN 22 18.320 11.597 -0.601 660 H GLY 23 H GLY 23 13.769 9.757 -5.218 661 HA2 GLY 23 HA2 GLY 23 13.006 8.106 -6.622 662 HA3 GLY 23 HA3 GLY 23 14.651 7.870 -7.193 663 H GLU 24 H GLU 24 14.147 7.683 -3.787 664 HA GLU 24 HA GLU 24 14.720 4.845 -3.629 665 HB2 GLU 24 HB2 GLU 24 13.704 6.649 -1.392 666 HB3 GLU 24 HB3 GLU 24 14.586 5.133 -1.215 667 HG2 GLU 24 HG2 GLU 24 15.730 7.694 -2.396 668 HG3 GLU 24 HG3 GLU 24 15.917 7.187 -0.718 669 H THR 25 H THR 25 13.198 3.167 -2.949 670 HA THR 25 HA THR 25 10.319 3.939 -3.096 671 HB THR 25 HB THR 25 11.502 1.182 -3.589 672 HG1 THR 25 HG1 THR 25 12.007 2.661 -5.251 673 HG21 THR 25 HG21 THR 25 9.187 1.059 -2.749 674 HG22 THR 25 HG22 THR 25 9.283 0.565 -4.443 675 HG23 THR 25 HG23 THR 25 8.676 2.169 -4.025 676 H MET 26 H MET 26 8.989 3.423 -1.481 677 HA MET 26 HA MET 26 10.180 2.401 1.039 678 HB2 MET 26 HB2 MET 26 8.425 3.976 2.135 679 HB3 MET 26 HB3 MET 26 9.887 4.672 1.462 680 HG2 MET 26 HG2 MET 26 7.981 6.044 0.921 681 HG3 MET 26 HG3 MET 26 8.629 5.342 -0.564 682 HE1 MET 26 HE1 MET 26 5.850 5.404 2.042 683 HE2 MET 26 HE2 MET 26 6.309 3.708 2.203 684 HE3 MET 26 HE3 MET 26 4.746 4.144 1.521 685 H PHE 27 H PHE 27 7.255 2.263 -1.004 686 HA PHE 27 HA PHE 27 7.007 -0.448 0.046 687 HB2 PHE 27 HB2 PHE 27 4.763 -0.475 0.697 688 HB3 PHE 27 HB3 PHE 27 5.268 1.093 1.295 689 HD1 PHE 27 HD1 PHE 27 4.377 3.123 0.248 690 HD2 PHE 27 HD2 PHE 27 3.105 -0.669 -1.143 691 HE1 PHE 27 HE1 PHE 27 2.539 4.214 -0.890 692 HE2 PHE 27 HE2 PHE 27 1.221 0.409 -2.312 693 HZ PHE 27 HZ PHE 27 0.933 2.859 -2.187 694 H SER 28 H SER 28 5.678 -1.757 -1.173 695 HA SER 28 HA SER 28 4.728 -0.915 -3.819 696 HB2 SER 28 HB2 SER 28 6.906 -1.951 -4.352 697 HB3 SER 28 HB3 SER 28 6.528 -3.349 -3.343 698 HG SER 28 HG SER 28 5.427 -4.178 -4.918 699 H SER 29 H SER 29 2.883 -2.161 -4.420 700 HA SER 29 HA SER 29 1.426 -3.215 -2.149 701 HB2 SER 29 HB2 SER 29 0.307 -1.758 -3.805 702 HB3 SER 29 HB3 SER 29 0.608 -2.941 -5.079 703 HG SER 29 HG SER 29 -0.934 -3.372 -2.727 704 H GLU 30 H GLU 30 0.453 -5.339 -2.117 705 HA GLU 30 HA GLU 30 1.998 -7.518 -3.145 706 HB2 GLU 30 HB2 GLU 30 0.292 -8.969 -2.166 707 HB3 GLU 30 HB3 GLU 30 0.735 -7.706 -1.021 708 HG2 GLU 30 HG2 GLU 30 -1.308 -6.548 -1.317 709 HG3 GLU 30 HG3 GLU 30 -1.706 -7.424 -2.796 710 H GLY 31 H GLY 31 -0.726 -5.686 -4.261 711 HA2 GLY 31 HA2 GLY 31 -0.852 -5.475 -6.704 712 HA3 GLY 31 HA3 GLY 31 -0.726 -7.220 -6.815 713 H TYR 32 H TYR 32 -2.706 -5.359 -4.593 714 HA TYR 32 HA TYR 32 -4.978 -5.816 -4.112 715 HB2 TYR 32 HB2 TYR 32 -6.052 -3.778 -5.466 716 HB3 TYR 32 HB3 TYR 32 -4.848 -3.521 -4.209 717 HD1 TYR 32 HD1 TYR 32 -2.582 -2.840 -4.744 718 HD2 TYR 32 HD2 TYR 32 -5.414 -3.541 -7.859 719 HE1 TYR 32 HE1 TYR 32 -1.026 -1.885 -6.375 720 HE2 TYR 32 HE2 TYR 32 -3.857 -2.578 -9.467 721 HH TYR 32 HH TYR 32 -0.807 -2.230 -9.122 722 H LYS 33 H LYS 33 -4.949 -5.440 -7.715 723 HA LYS 33 HA LYS 33 -6.595 -7.681 -8.198 724 HB2 LYS 33 HB2 LYS 33 -8.335 -6.280 -7.115 725 HB3 LYS 33 HB3 LYS 33 -8.049 -4.997 -8.281 726 HG2 LYS 33 HG2 LYS 33 -10.091 -6.283 -8.795 727 HG3 LYS 33 HG3 LYS 33 -8.901 -6.388 -10.100 728 HD2 LYS 33 HD2 LYS 33 -8.205 -8.623 -9.262 729 HD3 LYS 33 HD3 LYS 33 -9.406 -8.510 -7.972 730 HE2 LYS 33 HE2 LYS 33 -11.210 -8.455 -9.651 731 HE3 LYS 33 HE3 LYS 33 -10.017 -8.537 -10.951 732 HZ1 LYS 33 HZ1 LYS 33 -10.984 -10.690 -10.484 733 HZ2 LYS 33 HZ2 LYS 33 -10.465 -10.612 -8.879 734 HZ3 LYS 33 HZ3 LYS 33 -9.334 -10.691 -10.130 735 H ALA 34 H ALA 34 -6.388 -4.350 -9.616 736 HA ALA 34 HA ALA 34 -5.304 -5.368 -12.143 737 HB1 ALA 34 HB1 ALA 34 -8.127 -4.223 -12.038 738 HB2 ALA 34 HB2 ALA 34 -7.709 -5.911 -12.336 739 HB3 ALA 34 HB3 ALA 34 -7.238 -4.672 -13.499 740 H LYS 35 H LYS 35 -5.440 -3.322 -13.889 741 HA LYS 35 HA LYS 35 -3.861 -1.295 -12.768 742 HB2 LYS 35 HB2 LYS 35 -3.520 -2.003 -15.032 743 HB3 LYS 35 HB3 LYS 35 -5.215 -1.814 -15.437 744 HG2 LYS 35 HG2 LYS 35 -3.764 -0.123 -16.503 745 HG3 LYS 35 HG3 LYS 35 -5.012 0.592 -15.479 746 HD2 LYS 35 HD2 LYS 35 -3.395 1.017 -13.716 747 HD3 LYS 35 HD3 LYS 35 -2.129 0.172 -14.617 748 HE2 LYS 35 HE2 LYS 35 -1.974 2.660 -14.753 749 HE3 LYS 35 HE3 LYS 35 -2.121 1.877 -16.323 750 HZ1 LYS 35 HZ1 LYS 35 -4.404 2.503 -16.432 751 HZ2 LYS 35 HZ2 LYS 35 -3.489 3.877 -16.091 752 HZ3 LYS 35 HZ3 LYS 35 -4.381 3.130 -14.867 753 H ALA 36 H ALA 36 -7.202 -1.244 -14.081 754 HA ALA 36 HA ALA 36 -7.936 1.347 -13.427 755 HB1 ALA 36 HB1 ALA 36 -9.296 -0.156 -14.807 756 HB2 ALA 36 HB2 ALA 36 -10.261 0.548 -13.510 757 HB3 ALA 36 HB3 ALA 36 -9.701 -1.122 -13.387 758 H SER 37 H SER 37 -8.077 -1.562 -11.411 759 HA SER 37 HA SER 37 -9.243 -0.409 -9.097 760 HB2 SER 37 HB2 SER 37 -7.467 -2.878 -9.279 761 HB3 SER 37 HB3 SER 37 -8.592 -2.485 -7.972 762 HG SER 37 HG SER 37 -10.234 -2.475 -9.725 763 H ALA 38 H ALA 38 -5.986 -0.445 -10.353 764 HA ALA 38 HA ALA 38 -4.536 0.097 -7.978 765 HB1 ALA 38 HB1 ALA 38 -2.696 0.770 -9.445 766 HB2 ALA 38 HB2 ALA 38 -3.791 0.819 -10.835 767 HB3 ALA 38 HB3 ALA 38 -3.448 -0.715 -10.032 768 H ILE 39 H ILE 39 -5.604 2.287 -10.658 769 HA ILE 39 HA ILE 39 -4.898 4.685 -9.490 770 HB ILE 39 HB ILE 39 -7.063 4.016 -11.520 771 HG12 ILE 39 HG12 ILE 39 -5.534 5.375 -13.037 772 HG13 ILE 39 HG13 ILE 39 -4.407 5.520 -11.691 773 HG21 ILE 39 HG21 ILE 39 -7.431 6.432 -11.952 774 HG22 ILE 39 HG22 ILE 39 -6.439 6.825 -10.544 775 HG23 ILE 39 HG23 ILE 39 -7.963 5.964 -10.336 776 HD11 ILE 39 HD11 ILE 39 -5.259 2.933 -12.966 777 HD12 ILE 39 HD12 ILE 39 -4.041 3.144 -11.705 778 HD13 ILE 39 HD13 ILE 39 -3.770 3.818 -13.310 779 H HIS 40 H HIS 40 -8.037 2.972 -9.229 780 HA HIS 40 HA HIS 40 -9.394 4.871 -7.666 781 HB2 HIS 40 HB2 HIS 40 -9.780 1.889 -8.054 782 HB3 HIS 40 HB3 HIS 40 -10.777 2.756 -6.891 783 HD1 HIS 40 HD1 HIS 40 -12.591 4.329 -7.807 784 HD2 HIS 40 HD2 HIS 40 -10.298 2.555 -10.780 785 HE1 HIS 40 HE1 HIS 40 -13.797 4.796 -9.965 786 HE2 HIS 40 HE2 HIS 40 -12.439 3.625 -11.729 787 H ALA 41 H ALA 41 -7.346 2.133 -6.672 788 HA ALA 41 HA ALA 41 -7.477 2.445 -3.911 789 HB1 ALA 41 HB1 ALA 41 -6.448 0.497 -5.029 790 HB2 ALA 41 HB2 ALA 41 -5.337 1.218 -3.864 791 HB3 ALA 41 HB3 ALA 41 -5.117 1.511 -5.592 792 H ILE 42 H ILE 42 -5.069 3.807 -6.192 793 HA ILE 42 HA ILE 42 -3.641 5.373 -4.385 794 HB ILE 42 HB ILE 42 -4.073 5.819 -7.362 795 HG12 ILE 42 HG12 ILE 42 -1.672 4.509 -6.008 796 HG13 ILE 42 HG13 ILE 42 -3.057 3.577 -6.561 797 HG21 ILE 42 HG21 ILE 42 -1.986 7.148 -7.328 798 HG22 ILE 42 HG22 ILE 42 -1.897 6.974 -5.572 799 HG23 ILE 42 HG23 ILE 42 -3.226 7.876 -6.306 800 HD11 ILE 42 HD11 ILE 42 -2.652 4.298 -8.837 801 HD12 ILE 42 HD12 ILE 42 -1.235 3.514 -8.138 802 HD13 ILE 42 HD13 ILE 42 -1.278 5.270 -8.298 803 H GLU 43 H GLU 43 -6.739 5.947 -5.871 804 HA GLU 43 HA GLU 43 -6.838 8.775 -5.565 805 HB2 GLU 43 HB2 GLU 43 -9.046 6.718 -5.904 806 HB3 GLU 43 HB3 GLU 43 -9.389 8.435 -5.728 807 HG2 GLU 43 HG2 GLU 43 -8.039 8.884 -7.773 808 HG3 GLU 43 HG3 GLU 43 -7.796 7.150 -7.968 809 H SER 44 H SER 44 -7.729 6.015 -3.478 810 HA SER 44 HA SER 44 -8.786 7.337 -1.262 811 HB2 SER 44 HB2 SER 44 -6.974 4.921 -1.482 812 HB3 SER 44 HB3 SER 44 -7.518 5.482 0.097 813 HG SER 44 HG SER 44 -8.788 3.912 -1.577 814 H ILE 45 H ILE 45 -5.407 7.064 -2.302 815 HA ILE 45 HA ILE 45 -4.307 8.012 0.146 816 HB ILE 45 HB ILE 45 -2.691 8.323 -2.425 817 HG12 ILE 45 HG12 ILE 45 -3.819 6.000 -2.485 818 HG13 ILE 45 HG13 ILE 45 -2.062 5.994 -2.517 819 HG21 ILE 45 HG21 ILE 45 -2.068 7.480 0.432 820 HG22 ILE 45 HG22 ILE 45 -1.736 9.057 -0.307 821 HG23 ILE 45 HG23 ILE 45 -0.867 7.628 -0.869 822 HD11 ILE 45 HD11 ILE 45 -3.800 5.415 -0.125 823 HD12 ILE 45 HD12 ILE 45 -2.033 5.408 -0.137 824 HD13 ILE 45 HD13 ILE 45 -2.929 4.244 -1.106 825 H LYS 46 H LYS 46 -5.118 9.499 -2.981 826 HA LYS 46 HA LYS 46 -4.082 12.037 -2.543 827 HB2 LYS 46 HB2 LYS 46 -6.557 11.633 -4.247 828 HB3 LYS 46 HB3 LYS 46 -5.224 12.755 -4.478 829 HG2 LYS 46 HG2 LYS 46 -5.365 9.811 -5.141 830 HG3 LYS 46 HG3 LYS 46 -4.987 11.171 -6.199 831 HD2 LYS 46 HD2 LYS 46 -3.201 9.943 -4.053 832 HD3 LYS 46 HD3 LYS 46 -2.983 9.847 -5.803 833 HE2 LYS 46 HE2 LYS 46 -2.805 12.364 -4.142 834 HE3 LYS 46 HE3 LYS 46 -1.466 11.434 -4.738 835 HZ1 LYS 46 HZ1 LYS 46 -3.439 12.964 -6.315 836 HZ2 LYS 46 HZ2 LYS 46 -2.360 11.866 -7.011 837 HZ3 LYS 46 HZ3 LYS 46 -1.771 13.222 -6.203 838 H ARG 47 H ARG 47 -6.918 10.613 -1.317 839 HA ARG 47 HA ARG 47 -8.629 12.849 -1.021 840 HB2 ARG 47 HB2 ARG 47 -8.604 10.284 0.617 841 HB3 ARG 47 HB3 ARG 47 -9.910 11.463 0.630 842 HG2 ARG 47 HG2 ARG 47 -9.050 9.718 -1.684 843 HG3 ARG 47 HG3 ARG 47 -10.530 9.577 -0.739 844 HD2 ARG 47 HD2 ARG 47 -11.373 11.660 -1.647 845 HD3 ARG 47 HD3 ARG 47 -9.834 11.990 -2.453 846 HE ARG 47 HE ARG 47 -11.549 9.671 -3.172 847 HH11 ARG 47 HH11 ARG 47 -9.678 12.483 -4.135 848 HH12 ARG 47 HH12 ARG 47 -9.794 12.135 -5.828 849 HH21 ARG 47 HH21 ARG 47 -11.706 9.232 -5.417 850 HH22 ARG 47 HH22 ARG 47 -10.943 10.293 -6.557 851 H ASN 48 H ASN 48 -6.538 11.288 1.434 852 HA ASN 48 HA ASN 48 -5.882 13.623 2.879 853 HB2 ASN 48 HB2 ASN 48 -8.475 13.356 3.368 854 HB3 ASN 48 HB3 ASN 48 -7.965 12.111 4.497 855 HD21 ASN 48 HD21 ASN 48 -6.656 12.747 6.314 856 HD22 ASN 48 HD22 ASN 48 -6.663 14.380 6.885 857 H SER 49 H SER 49 -4.866 10.933 2.022 858 HA SER 49 HA SER 49 -4.440 9.211 4.237 859 HB2 SER 49 HB2 SER 49 -4.248 8.541 1.869 860 HB3 SER 49 HB3 SER 49 -2.787 9.506 1.714 861 HG SER 49 HG SER 49 -3.158 7.032 2.806 862 H ALA 50 H ALA 50 -2.518 11.913 2.949 863 HA ALA 50 HA ALA 50 -0.286 11.695 4.628 864 HB1 ALA 50 HB1 ALA 50 0.154 14.030 4.039 865 HB2 ALA 50 HB2 ALA 50 -1.500 14.199 3.442 866 HB3 ALA 50 HB3 ALA 50 -0.376 13.111 2.625 867 H GLY 51 H GLY 51 -3.491 12.789 5.362 868 HA2 GLY 51 HA2 GLY 51 -2.706 13.650 8.089 869 HA3 GLY 51 HA3 GLY 51 -4.260 13.936 7.321 870 H ALA 52 H ALA 52 -3.664 10.816 6.582 871 HA ALA 52 HA ALA 52 -5.560 9.728 8.427 872 HB1 ALA 52 HB1 ALA 52 -3.703 8.320 6.470 873 HB2 ALA 52 HB2 ALA 52 -5.334 8.914 6.116 874 HB3 ALA 52 HB3 ALA 52 -5.117 7.598 7.271 875 H ASP 53 H ASP 53 -5.249 8.456 10.254 876 HA ASP 53 HA ASP 53 -2.814 8.714 11.690 877 HB2 ASP 53 HB2 ASP 53 -5.079 8.584 12.750 878 HB3 ASP 53 HB3 ASP 53 -5.178 6.884 12.301 879 H THR 54 H THR 54 -1.447 6.983 12.521 880 HA THR 54 HA THR 54 -1.179 4.665 10.690 881 HB THR 54 HB THR 54 0.946 5.975 12.440 882 HG1 THR 54 HG1 THR 54 0.105 6.405 9.773 883 HG21 THR 54 HG21 THR 54 1.218 3.956 10.179 884 HG22 THR 54 HG22 THR 54 1.521 3.635 11.891 885 HG23 THR 54 HG23 THR 54 2.559 4.756 10.994 886 H VAL 55 H VAL 55 -2.415 3.140 11.651 887 HA VAL 55 HA VAL 55 -2.377 2.605 14.536 888 HB VAL 55 HB VAL 55 -4.092 1.456 12.274 889 HG11 VAL 55 HG11 VAL 55 -5.566 0.529 14.041 890 HG12 VAL 55 HG12 VAL 55 -4.419 1.054 15.277 891 HG13 VAL 55 HG13 VAL 55 -3.949 -0.178 14.104 892 HG21 VAL 55 HG21 VAL 55 -5.912 2.860 13.186 893 HG22 VAL 55 HG22 VAL 55 -4.541 3.842 12.663 894 HG23 VAL 55 HG23 VAL 55 -4.797 3.532 14.381 895 H ASP 56 H ASP 56 -1.220 0.944 15.380 896 HA ASP 56 HA ASP 56 -0.196 -1.235 13.653 897 HB2 ASP 56 HB2 ASP 56 1.664 -0.328 14.753 898 HB3 ASP 56 HB3 ASP 56 0.775 -0.042 16.246 899 H LEU 57 H LEU 57 -1.201 -3.130 13.726 900 HA LEU 57 HA LEU 57 -2.612 -4.069 16.098 901 HB2 LEU 57 HB2 LEU 57 -2.354 -5.390 13.364 902 HB3 LEU 57 HB3 LEU 57 -3.405 -5.911 14.664 903 HG LEU 57 HG LEU 57 -4.844 -4.854 13.139 904 HD11 LEU 57 HD11 LEU 57 -5.734 -2.878 14.253 905 HD12 LEU 57 HD12 LEU 57 -4.258 -2.723 15.208 906 HD13 LEU 57 HD13 LEU 57 -5.304 -4.130 15.422 907 HD21 LEU 57 HD21 LEU 57 -2.924 -2.522 12.898 908 HD22 LEU 57 HD22 LEU 57 -4.489 -2.676 12.092 909 HD23 LEU 57 HD23 LEU 57 -3.188 -3.797 11.702 910 H THR 58 H THR 58 0.539 -4.676 14.502 911 HA THR 58 HA THR 58 0.408 -7.532 15.062 912 HB THR 58 HB THR 58 1.369 -6.778 12.929 913 HG1 THR 58 HG1 THR 58 2.012 -8.788 13.611 914 HG21 THR 58 HG21 THR 58 2.583 -4.740 13.668 915 HG22 THR 58 HG22 THR 58 3.610 -5.848 12.755 916 HG23 THR 58 HG23 THR 58 3.743 -5.766 14.515 917 H THR 59 H THR 59 1.530 -4.816 16.825 918 HA THR 59 HA THR 59 2.969 -6.598 18.699 919 HB THR 59 HB THR 59 4.629 -4.758 19.169 920 HG1 THR 59 HG1 THR 59 3.115 -3.499 17.223 921 HG21 THR 59 HG21 THR 59 6.052 -5.062 17.173 922 HG22 THR 59 HG22 THR 59 4.675 -5.689 16.265 923 HG23 THR 59 HG23 THR 59 5.312 -6.592 17.644 924 H MET 60 H MET 60 0.225 -5.305 18.395 925 HA MET 60 HA MET 60 0.053 -4.118 21.096 926 HB2 MET 60 HB2 MET 60 0.040 -2.235 19.456 927 HB3 MET 60 HB3 MET 60 -1.305 -2.978 18.604 928 HG2 MET 60 HG2 MET 60 -2.749 -2.652 20.566 929 HG3 MET 60 HG3 MET 60 -1.399 -1.941 21.453 930 HE1 MET 60 HE1 MET 60 -3.798 1.136 20.704 931 HE2 MET 60 HE2 MET 60 -2.919 0.280 21.970 932 HE3 MET 60 HE3 MET 60 -4.246 -0.517 21.125 933 H THR 61 H THR 61 -2.332 -4.683 18.466 934 HA THR 61 HA THR 61 -3.604 -6.846 19.990 935 HB THR 61 HB THR 61 -5.871 -5.795 19.521 936 HG1 THR 61 HG1 THR 61 -4.665 -4.087 18.123 937 HG21 THR 61 HG21 THR 61 -5.873 -4.302 21.495 938 HG22 THR 61 HG22 THR 61 -4.107 -4.301 21.498 939 HG23 THR 61 HG23 THR 61 -4.989 -5.797 21.816 940 H ALA 62 H ALA 62 -3.338 -8.378 18.529 941 HA ALA 62 HA ALA 62 -3.792 -7.872 15.644 942 HB1 ALA 62 HB1 ALA 62 -2.145 -10.060 16.981 943 HB2 ALA 62 HB2 ALA 62 -1.516 -8.615 16.184 944 HB3 ALA 62 HB3 ALA 62 -2.357 -9.850 15.242
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