NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14332 | 1wjn | 10091 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -9.301 -5.413 -17.077 2 HA2 GLY 1 1HA GLY 1 -11.397 -3.750 -15.937 3 HA3 GLY 1 2HA GLY 1 -9.773 -3.438 -15.341 4 H SER 2 H SER 2 -9.463 -1.434 -16.196 5 HA SER 2 HA SER 2 -9.981 -0.968 -19.018 6 HB2 SER 2 1HB SER 2 -10.501 0.737 -17.223 7 HB3 SER 2 2HB SER 2 -8.762 0.951 -17.025 8 HG SER 2 HG SER 2 -9.006 1.221 -19.521 9 H SER 3 H SER 3 -7.185 -0.578 -16.835 10 HA SER 3 HA SER 3 -4.943 -0.723 -17.191 11 HB2 SER 3 1HB SER 3 -5.822 -2.518 -19.466 12 HB3 SER 3 2HB SER 3 -4.166 -2.374 -18.877 13 HG SER 3 HG SER 3 -4.737 -3.887 -17.539 14 H GLY 4 H GLY 4 -6.162 1.548 -18.200 15 HA2 GLY 4 1HA GLY 4 -5.285 2.014 -20.910 16 HA3 GLY 4 2HA GLY 4 -6.011 3.193 -19.829 17 H SER 5 H SER 5 -4.247 4.463 -20.998 18 HA SER 5 HA SER 5 -1.545 4.025 -20.124 19 HB2 SER 5 1HB SER 5 -2.717 6.474 -21.462 20 HB3 SER 5 2HB SER 5 -1.011 6.039 -21.364 21 HG SER 5 HG SER 5 -1.985 5.478 -23.383 22 H SER 6 H SER 6 -4.101 6.370 -19.382 23 HA SER 6 HA SER 6 -2.794 8.093 -17.709 24 HB2 SER 6 1HB SER 6 -4.897 8.659 -16.779 25 HB3 SER 6 2HB SER 6 -5.260 8.098 -18.411 26 HG SER 6 HG SER 6 -6.115 7.120 -16.062 27 H GLY 7 H GLY 7 -1.638 7.855 -15.920 28 HA2 GLY 7 1HA GLY 7 -0.858 7.030 -13.924 29 HA3 GLY 7 2HA GLY 7 -2.451 6.324 -13.694 30 H GLN 8 H GLN 8 0.544 5.451 -13.469 31 HA GLN 8 HA GLN 8 0.268 2.929 -14.958 32 HB2 GLN 8 1HB GLN 8 2.648 2.709 -14.880 33 HB3 GLN 8 2HB GLN 8 2.285 4.345 -15.413 34 HG2 GLN 8 1HG GLN 8 2.748 5.202 -13.197 35 HG3 GLN 8 2HG GLN 8 3.036 3.567 -12.605 36 HE21 GLN 8 1HE2 GLN 8 4.774 5.960 -12.735 37 HE22 GLN 8 2HE2 GLN 8 6.191 5.447 -13.580 38 H LEU 9 H LEU 9 0.817 0.950 -13.914 39 HA LEU 9 HA LEU 9 0.072 0.939 -11.106 40 HB2 LEU 9 1HB LEU 9 0.229 -1.067 -13.284 41 HB3 LEU 9 2HB LEU 9 0.423 -1.648 -11.632 42 HG LEU 9 HG LEU 9 -1.824 -0.216 -11.329 43 HD11 LEU 9 1HD1 LEU 9 -3.101 -1.126 -13.518 44 HD12 LEU 9 2HD1 LEU 9 -1.538 -0.707 -14.218 45 HD13 LEU 9 3HD1 LEU 9 -2.474 0.514 -13.357 46 HD21 LEU 9 1HD2 LEU 9 -1.372 -3.055 -12.157 47 HD22 LEU 9 2HD2 LEU 9 -3.007 -2.450 -11.892 48 HD23 LEU 9 3HD2 LEU 9 -1.827 -2.408 -10.581 49 H LEU 10 H LEU 10 1.411 0.561 -9.444 50 HA LEU 10 HA LEU 10 4.248 0.160 -10.057 51 HB2 LEU 10 1HB LEU 10 3.297 0.740 -7.304 52 HB3 LEU 10 2HB LEU 10 4.763 1.270 -8.127 53 HG LEU 10 HG LEU 10 1.989 2.414 -8.369 54 HD11 LEU 10 1HD1 LEU 10 4.253 4.185 -7.925 55 HD12 LEU 10 2HD1 LEU 10 4.051 2.989 -6.645 56 HD13 LEU 10 3HD1 LEU 10 2.719 4.065 -7.063 57 HD21 LEU 10 1HD2 LEU 10 2.486 2.832 -10.509 58 HD22 LEU 10 2HD2 LEU 10 4.185 2.409 -10.295 59 HD23 LEU 10 3HD2 LEU 10 3.617 4.024 -9.867 60 H THR 11 H THR 11 5.508 -1.357 -8.879 61 HA THR 11 HA THR 11 3.936 -3.644 -7.892 62 HB THR 11 HB THR 11 6.753 -3.697 -8.988 63 HG1 THR 11 1HG THR 11 5.535 -3.348 -10.756 64 HG21 THR 11 1HG2 THR 11 6.695 -5.638 -7.809 65 HG22 THR 11 2HG2 THR 11 5.834 -6.207 -9.239 66 HG23 THR 11 3HG2 THR 11 4.933 -5.710 -7.807 67 H LEU 12 H LEU 12 3.844 -3.421 -5.725 68 HA LEU 12 HA LEU 12 6.400 -3.086 -4.295 69 HB2 LEU 12 1HB LEU 12 3.740 -2.335 -3.135 70 HB3 LEU 12 2HB LEU 12 5.350 -1.845 -2.612 71 HG LEU 12 HG LEU 12 4.284 -0.967 -5.271 72 HD11 LEU 12 1HD1 LEU 12 3.959 1.002 -3.179 73 HD12 LEU 12 2HD1 LEU 12 2.960 -0.423 -2.897 74 HD13 LEU 12 3HD1 LEU 12 2.819 0.466 -4.413 75 HD21 LEU 12 1HD2 LEU 12 6.565 -0.383 -3.542 76 HD22 LEU 12 2HD2 LEU 12 5.740 1.057 -4.140 77 HD23 LEU 12 3HD2 LEU 12 6.363 -0.140 -5.277 78 H LYS 13 H LYS 13 6.112 -3.895 -1.919 79 HA LYS 13 HA LYS 13 4.769 -6.517 -2.024 80 HB2 LYS 13 1HB LYS 13 7.413 -5.714 -0.828 81 HB3 LYS 13 2HB LYS 13 6.578 -7.177 -0.323 82 HG2 LYS 13 1HG LYS 13 7.289 -6.601 -3.185 83 HG3 LYS 13 2HG LYS 13 8.349 -7.475 -2.077 84 HD2 LYS 13 1HD LYS 13 6.407 -9.049 -1.675 85 HD3 LYS 13 2HD LYS 13 5.609 -8.267 -3.041 86 HE2 LYS 13 1HE LYS 13 7.183 -9.052 -4.566 87 HE3 LYS 13 2HE LYS 13 8.383 -9.364 -3.312 88 HZ1 LYS 13 1HZ LYS 13 6.260 -10.958 -2.653 89 HZ2 LYS 13 2HZ LYS 13 7.700 -11.461 -3.384 90 HZ3 LYS 13 3HZ LYS 13 6.355 -11.086 -4.337 91 H ILE 14 H ILE 14 3.299 -6.922 -0.502 92 HA ILE 14 HA ILE 14 2.925 -4.956 1.625 93 HB ILE 14 HB ILE 14 1.147 -7.231 0.739 94 HG12 ILE 14 1HG1 ILE 14 -0.268 -5.047 0.163 95 HG13 ILE 14 2HG1 ILE 14 1.339 -4.341 0.034 96 HG21 ILE 14 1HG2 ILE 14 -0.072 -6.923 2.567 97 HG22 ILE 14 2HG2 ILE 14 1.175 -5.835 3.174 98 HG23 ILE 14 3HG2 ILE 14 -0.182 -5.192 2.250 99 HD11 ILE 14 1HD1 ILE 14 1.878 -5.569 -1.811 100 HD12 ILE 14 2HD1 ILE 14 0.785 -6.888 -1.390 101 HD13 ILE 14 3HD1 ILE 14 0.140 -5.384 -2.045 102 H LYS 15 H LYS 15 3.281 -5.351 3.724 103 HA LYS 15 HA LYS 15 3.503 -8.085 4.696 104 HB2 LYS 15 1HB LYS 15 5.780 -7.588 3.990 105 HB3 LYS 15 2HB LYS 15 5.765 -6.088 4.908 106 HG2 LYS 15 1HG LYS 15 5.440 -7.469 6.975 107 HG3 LYS 15 2HG LYS 15 5.727 -8.898 5.980 108 HD2 LYS 15 1HD LYS 15 7.938 -8.142 5.431 109 HD3 LYS 15 2HD LYS 15 7.653 -6.589 6.220 110 HE2 LYS 15 1HE LYS 15 8.883 -7.764 7.801 111 HE3 LYS 15 2HE LYS 15 7.220 -8.000 8.336 112 HZ1 LYS 15 1HZ LYS 15 7.782 -10.055 6.566 113 HZ2 LYS 15 2HZ LYS 15 7.586 -10.167 8.242 114 HZ3 LYS 15 3HZ LYS 15 9.128 -9.940 7.584 115 H CYS 16 H CYS 16 2.322 -8.176 6.479 116 HA CYS 16 HA CYS 16 1.270 -5.967 7.817 117 HB2 CYS 16 1HB CYS 16 0.520 -8.444 7.849 118 HB3 CYS 16 2HB CYS 16 1.670 -8.623 9.169 119 HG CYS 16 HG CYS 16 0.299 -6.323 10.488 120 H SER 17 H SER 17 1.996 -4.668 9.383 121 HA SER 17 HA SER 17 4.729 -4.807 10.191 122 HB2 SER 17 1HB SER 17 2.427 -2.992 10.858 123 HB3 SER 17 2HB SER 17 3.948 -2.874 11.744 124 HG SER 17 HG SER 17 3.696 -1.512 9.801 125 H ASN 18 H ASN 18 1.656 -5.621 11.680 126 HA ASN 18 HA ASN 18 2.890 -6.187 14.243 127 HB2 ASN 18 1HB ASN 18 0.097 -6.148 13.183 128 HB3 ASN 18 2HB ASN 18 0.433 -7.104 14.623 129 HD21 ASN 18 1HD2 ASN 18 1.846 -5.849 16.257 130 HD22 ASN 18 2HD2 ASN 18 1.320 -4.237 16.592 131 H GLN 19 H GLN 19 1.910 -7.879 11.379 132 HA GLN 19 HA GLN 19 2.546 -10.442 12.685 133 HB2 GLN 19 1HB GLN 19 1.030 -10.267 10.107 134 HB3 GLN 19 2HB GLN 19 1.017 -11.542 11.318 135 HG2 GLN 19 1HG GLN 19 -0.045 -8.836 11.991 136 HG3 GLN 19 2HG GLN 19 -1.028 -9.971 11.066 137 HE21 GLN 19 1HE2 GLN 19 -2.308 -9.513 13.132 138 HE22 GLN 19 2HE2 GLN 19 -2.074 -10.635 14.425 139 HA PRO 20 HA PRO 20 6.016 -9.696 9.771 140 HB2 PRO 20 1HB PRO 20 7.861 -10.943 11.324 141 HB3 PRO 20 2HB PRO 20 7.404 -9.250 11.547 142 HG2 PRO 20 1HG PRO 20 6.483 -11.673 13.044 143 HG3 PRO 20 2HG PRO 20 6.939 -10.078 13.670 144 HD2 PRO 20 1HD PRO 20 4.359 -10.831 13.344 145 HD3 PRO 20 2HD PRO 20 4.895 -9.150 13.150 146 H GLU 21 H GLU 21 5.253 -12.648 11.601 147 HA GLU 21 HA GLU 21 6.589 -14.501 10.031 148 HB2 GLU 21 1HB GLU 21 3.990 -14.773 11.546 149 HB3 GLU 21 2HB GLU 21 4.854 -16.130 10.837 150 HG2 GLU 21 1HG GLU 21 5.653 -16.242 12.956 151 HG3 GLU 21 2HG GLU 21 6.850 -15.154 12.255 152 H ARG 22 H ARG 22 3.288 -13.248 9.665 153 HA ARG 22 HA ARG 22 2.301 -14.754 7.636 154 HB2 ARG 22 1HB ARG 22 1.274 -12.701 8.795 155 HB3 ARG 22 2HB ARG 22 2.070 -11.755 7.544 156 HG2 ARG 22 1HG ARG 22 0.857 -13.367 5.912 157 HG3 ARG 22 2HG ARG 22 -0.181 -13.697 7.300 158 HD2 ARG 22 1HD ARG 22 -0.846 -11.425 7.454 159 HD3 ARG 22 2HD ARG 22 0.403 -10.914 6.319 160 HE ARG 22 HE ARG 22 -1.437 -12.775 5.165 161 HH11 ARG 22 2HH1 ARG 22 -0.938 -9.424 5.967 162 HH12 ARG 22 1HH1 ARG 22 -2.018 -8.836 4.746 163 HH21 ARG 22 2HH2 ARG 22 -2.861 -12.013 3.554 164 HH22 ARG 22 1HH2 ARG 22 -3.112 -10.309 3.375 165 H GLN 23 H GLN 23 3.031 -15.336 5.710 166 HA GLN 23 HA GLN 23 5.355 -14.541 4.511 167 HB2 GLN 23 1HB GLN 23 2.886 -15.396 2.996 168 HB3 GLN 23 2HB GLN 23 4.558 -15.564 2.476 169 HG2 GLN 23 1HG GLN 23 3.210 -17.007 4.744 170 HG3 GLN 23 2HG GLN 23 3.747 -17.691 3.211 171 HE21 GLN 23 1HE2 GLN 23 4.827 -16.240 6.218 172 HE22 GLN 23 2HE2 GLN 23 6.405 -16.942 6.209 173 H ILE 24 H ILE 24 5.719 -13.337 2.488 174 HA ILE 24 HA ILE 24 4.223 -10.816 2.542 175 HB ILE 24 HB ILE 24 6.828 -11.354 1.121 176 HG12 ILE 24 1HG1 ILE 24 6.512 -10.032 3.815 177 HG13 ILE 24 2HG1 ILE 24 6.881 -11.743 3.637 178 HG21 ILE 24 1HG2 ILE 24 5.384 -9.383 0.465 179 HG22 ILE 24 2HG2 ILE 24 5.704 -8.733 2.072 180 HG23 ILE 24 3HG2 ILE 24 7.037 -9.007 0.950 181 HD11 ILE 24 1HD1 ILE 24 9.013 -11.355 3.009 182 HD12 ILE 24 2HD1 ILE 24 8.612 -9.853 2.174 183 HD13 ILE 24 3HD1 ILE 24 8.750 -9.875 3.932 184 H LEU 25 H LEU 25 3.090 -10.074 0.832 185 HA LEU 25 HA LEU 25 3.075 -11.741 -1.598 186 HB2 LEU 25 1HB LEU 25 0.742 -10.037 -0.919 187 HB3 LEU 25 2HB LEU 25 0.803 -11.585 -1.759 188 HG LEU 25 HG LEU 25 -0.357 -11.865 0.323 189 HD11 LEU 25 1HD1 LEU 25 0.638 -13.862 0.173 190 HD12 LEU 25 2HD1 LEU 25 1.662 -13.285 1.487 191 HD13 LEU 25 3HD1 LEU 25 2.215 -13.158 -0.183 192 HD21 LEU 25 1HD2 LEU 25 2.005 -11.195 1.980 193 HD22 LEU 25 2HD2 LEU 25 0.285 -11.042 2.339 194 HD23 LEU 25 3HD2 LEU 25 1.081 -9.851 1.310 195 H GLU 26 H GLU 26 2.098 -10.451 -3.515 196 HA GLU 26 HA GLU 26 3.178 -7.713 -3.505 197 HB2 GLU 26 1HB GLU 26 4.758 -9.178 -4.659 198 HB3 GLU 26 2HB GLU 26 3.473 -9.767 -5.704 199 HG2 GLU 26 1HG GLU 26 3.196 -7.304 -6.390 200 HG3 GLU 26 2HG GLU 26 4.791 -7.084 -5.673 201 H LYS 27 H LYS 27 1.813 -6.210 -4.220 202 HA LYS 27 HA LYS 27 -0.475 -7.059 -5.868 203 HB2 LYS 27 1HB LYS 27 -0.903 -6.490 -3.356 204 HB3 LYS 27 2HB LYS 27 -0.716 -4.823 -3.884 205 HG2 LYS 27 1HG LYS 27 -2.986 -5.102 -4.034 206 HG3 LYS 27 2HG LYS 27 -2.479 -5.480 -5.682 207 HD2 LYS 27 1HD LYS 27 -2.722 -7.797 -5.336 208 HD3 LYS 27 2HD LYS 27 -2.799 -7.608 -3.583 209 HE2 LYS 27 1HE LYS 27 -4.960 -6.581 -3.728 210 HE3 LYS 27 2HE LYS 27 -4.866 -6.520 -5.488 211 HZ1 LYS 27 1HZ LYS 27 -5.277 -8.860 -3.741 212 HZ2 LYS 27 2HZ LYS 27 -4.657 -9.056 -5.302 213 HZ3 LYS 27 3HZ LYS 27 -6.183 -8.360 -5.080 214 H GLN 28 H GLN 28 -0.924 -5.826 -7.610 215 HA GLN 28 HA GLN 28 0.816 -3.509 -8.078 216 HB2 GLN 28 1HB GLN 28 -0.686 -5.324 -9.962 217 HB3 GLN 28 2HB GLN 28 0.082 -3.832 -10.487 218 HG2 GLN 28 1HG GLN 28 2.240 -4.718 -9.615 219 HG3 GLN 28 2HG GLN 28 1.423 -6.249 -9.303 220 HE21 GLN 28 1HE2 GLN 28 3.429 -4.829 -11.365 221 HE22 GLN 28 2HE2 GLN 28 3.016 -5.639 -12.834 222 H LEU 29 H LEU 29 -0.048 -1.577 -7.765 223 HA LEU 29 HA LEU 29 -2.859 -1.148 -8.509 224 HB2 LEU 29 1HB LEU 29 -1.612 0.177 -6.123 225 HB3 LEU 29 2HB LEU 29 -3.316 0.088 -6.562 226 HG LEU 29 HG LEU 29 -2.929 -1.314 -4.657 227 HD11 LEU 29 1HD1 LEU 29 -3.180 -3.636 -6.128 228 HD12 LEU 29 2HD1 LEU 29 -3.763 -2.382 -7.222 229 HD13 LEU 29 3HD1 LEU 29 -4.491 -2.568 -5.627 230 HD21 LEU 29 1HD2 LEU 29 -1.162 -2.676 -4.351 231 HD22 LEU 29 2HD2 LEU 29 -0.417 -1.657 -5.584 232 HD23 LEU 29 3HD2 LEU 29 -1.139 -3.202 -6.035 233 HA PRO 30 HA PRO 30 -1.341 2.312 -10.758 234 HB2 PRO 30 1HB PRO 30 -3.585 3.839 -10.821 235 HB3 PRO 30 2HB PRO 30 -3.397 2.367 -11.782 236 HG2 PRO 30 1HG PRO 30 -4.827 2.762 -9.182 237 HG3 PRO 30 2HG PRO 30 -5.336 1.841 -10.610 238 HD2 PRO 30 1HD PRO 30 -4.272 0.660 -8.418 239 HD3 PRO 30 2HD PRO 30 -4.032 0.023 -10.057 240 H ASP 31 H ASP 31 -0.076 3.923 -10.101 241 HA ASP 31 HA ASP 31 0.187 4.912 -7.578 242 HB2 ASP 31 1HB ASP 31 1.173 6.988 -8.692 243 HB3 ASP 31 2HB ASP 31 1.883 5.439 -9.139 244 H SER 32 H SER 32 -2.226 5.758 -9.915 245 HA SER 32 HA SER 32 -3.036 8.235 -8.818 246 HB2 SER 32 1HB SER 32 -3.633 7.129 -11.107 247 HB3 SER 32 2HB SER 32 -4.955 6.388 -10.206 248 HG SER 32 HG SER 32 -5.227 8.581 -11.287 249 H MET 33 H MET 33 -4.027 4.900 -8.212 250 HA MET 33 HA MET 33 -6.269 5.112 -6.733 251 HB2 MET 33 1HB MET 33 -4.784 3.051 -7.185 252 HB3 MET 33 2HB MET 33 -3.978 3.472 -5.680 253 HG2 MET 33 1HG MET 33 -6.245 3.396 -4.584 254 HG3 MET 33 2HG MET 33 -6.847 2.687 -6.081 255 HE1 MET 33 1HE MET 33 -7.692 0.774 -5.551 256 HE2 MET 33 2HE MET 33 -6.563 -0.286 -6.394 257 HE3 MET 33 3HE MET 33 -6.996 -0.615 -4.716 258 H THR 34 H THR 34 -6.918 5.894 -4.804 259 HA THR 34 HA THR 34 -5.072 7.604 -3.362 260 HB THR 34 HB THR 34 -7.111 8.205 -2.012 261 HG1 THR 34 1HG THR 34 -8.663 6.943 -3.991 262 HG21 THR 34 1HG2 THR 34 -6.343 9.455 -4.044 263 HG22 THR 34 2HG2 THR 34 -8.071 9.588 -3.718 264 HG23 THR 34 3HG2 THR 34 -7.493 8.511 -4.989 265 H VAL 35 H VAL 35 -4.195 7.200 -1.418 266 HA VAL 35 HA VAL 35 -3.729 4.791 -0.349 267 HB VAL 35 HB VAL 35 -4.136 7.403 1.083 268 HG11 VAL 35 1HG1 VAL 35 -2.929 6.203 3.007 269 HG12 VAL 35 2HG1 VAL 35 -4.660 5.922 2.808 270 HG13 VAL 35 3HG1 VAL 35 -3.500 4.715 2.251 271 HG21 VAL 35 1HG2 VAL 35 -1.640 5.773 0.648 272 HG22 VAL 35 2HG2 VAL 35 -2.186 7.039 -0.452 273 HG23 VAL 35 3HG2 VAL 35 -1.755 7.441 1.210 274 H GLN 36 H GLN 36 -6.703 6.604 0.017 275 HA GLN 36 HA GLN 36 -7.865 5.135 2.102 276 HB2 GLN 36 1HB GLN 36 -8.616 7.332 0.830 277 HB3 GLN 36 2HB GLN 36 -9.573 6.191 -0.104 278 HG2 GLN 36 1HG GLN 36 -10.671 5.418 1.909 279 HG3 GLN 36 2HG GLN 36 -9.667 6.484 2.889 280 HE21 GLN 36 1HE2 GLN 36 -12.143 6.404 0.398 281 HE22 GLN 36 2HE2 GLN 36 -12.803 7.964 0.742 282 H LYS 37 H LYS 37 -8.192 4.746 -1.421 283 HA LYS 37 HA LYS 37 -9.902 2.556 -1.423 284 HB2 LYS 37 1HB LYS 37 -7.809 3.523 -3.346 285 HB3 LYS 37 2HB LYS 37 -8.674 2.023 -3.655 286 HG2 LYS 37 1HG LYS 37 -10.795 3.474 -3.283 287 HG3 LYS 37 2HG LYS 37 -9.703 4.824 -3.602 288 HD2 LYS 37 1HD LYS 37 -9.042 3.691 -5.726 289 HD3 LYS 37 2HD LYS 37 -10.297 2.488 -5.416 290 HE2 LYS 37 1HE LYS 37 -11.277 4.053 -6.876 291 HE3 LYS 37 2HE LYS 37 -11.920 4.436 -5.280 292 HZ1 LYS 37 1HZ LYS 37 -9.599 5.829 -6.495 293 HZ2 LYS 37 2HZ LYS 37 -10.432 6.264 -5.089 294 HZ3 LYS 37 3HZ LYS 37 -11.190 6.395 -6.595 295 H VAL 38 H VAL 38 -6.347 2.613 -1.414 296 HA VAL 38 HA VAL 38 -5.869 -0.117 -1.537 297 HB VAL 38 HB VAL 38 -4.276 1.915 0.034 298 HG11 VAL 38 1HG1 VAL 38 -2.391 0.374 -0.377 299 HG12 VAL 38 2HG1 VAL 38 -3.657 -0.350 0.616 300 HG13 VAL 38 3HG1 VAL 38 -3.518 -0.780 -1.089 301 HG21 VAL 38 1HG2 VAL 38 -4.766 2.376 -2.443 302 HG22 VAL 38 2HG2 VAL 38 -3.084 2.422 -1.913 303 HG23 VAL 38 3HG2 VAL 38 -3.701 1.008 -2.768 304 H LYS 39 H LYS 39 -6.634 1.911 1.249 305 HA LYS 39 HA LYS 39 -6.248 -0.153 3.183 306 HB2 LYS 39 1HB LYS 39 -7.677 2.505 3.300 307 HB3 LYS 39 2HB LYS 39 -7.518 1.434 4.687 308 HG2 LYS 39 1HG LYS 39 -5.150 1.662 4.692 309 HG3 LYS 39 2HG LYS 39 -5.171 2.508 3.143 310 HD2 LYS 39 1HD LYS 39 -6.254 4.406 4.121 311 HD3 LYS 39 2HD LYS 39 -6.503 3.545 5.642 312 HE2 LYS 39 1HE LYS 39 -3.928 3.334 5.672 313 HE3 LYS 39 2HE LYS 39 -3.963 4.626 4.473 314 HZ1 LYS 39 1HZ LYS 39 -4.967 4.716 7.259 315 HZ2 LYS 39 2HZ LYS 39 -5.343 5.900 6.112 316 HZ3 LYS 39 3HZ LYS 39 -3.734 5.648 6.570 317 H GLY 40 H GLY 40 -9.020 1.100 1.396 318 HA2 GLY 40 1HA GLY 40 -10.982 -0.392 2.825 319 HA3 GLY 40 2HA GLY 40 -11.201 0.379 1.261 320 H LEU 41 H LEU 41 -8.917 -1.108 0.103 321 HA LEU 41 HA LEU 41 -10.378 -3.347 -0.855 322 HB2 LEU 41 1HB LEU 41 -8.878 -2.380 -2.370 323 HB3 LEU 41 2HB LEU 41 -7.559 -2.387 -1.201 324 HG LEU 41 HG LEU 41 -7.845 -5.004 -1.415 325 HD11 LEU 41 1HD1 LEU 41 -9.721 -5.101 -2.850 326 HD12 LEU 41 2HD1 LEU 41 -8.323 -5.531 -3.834 327 HD13 LEU 41 3HD1 LEU 41 -9.027 -3.919 -3.959 328 HD21 LEU 41 1HD2 LEU 41 -5.929 -4.987 -2.661 329 HD22 LEU 41 2HD2 LEU 41 -5.956 -3.307 -2.126 330 HD23 LEU 41 3HD2 LEU 41 -6.512 -3.726 -3.747 331 H LEU 42 H LEU 42 -7.644 -2.993 1.368 332 HA LEU 42 HA LEU 42 -7.491 -5.838 1.840 333 HB2 LEU 42 1HB LEU 42 -6.122 -3.533 3.219 334 HB3 LEU 42 2HB LEU 42 -5.759 -5.238 3.478 335 HG LEU 42 HG LEU 42 -5.519 -4.119 0.725 336 HD11 LEU 42 1HD1 LEU 42 -3.429 -3.166 1.080 337 HD12 LEU 42 2HD1 LEU 42 -3.242 -3.924 2.661 338 HD13 LEU 42 3HD1 LEU 42 -4.377 -2.591 2.451 339 HD21 LEU 42 1HD2 LEU 42 -3.457 -5.736 0.995 340 HD22 LEU 42 2HD2 LEU 42 -5.074 -6.361 0.670 341 HD23 LEU 42 3HD2 LEU 42 -4.432 -6.388 2.313 342 H SER 43 H SER 43 -9.099 -3.112 3.209 343 HA SER 43 HA SER 43 -9.467 -3.799 5.843 344 HB2 SER 43 1HB SER 43 -10.425 -1.762 5.333 345 HB3 SER 43 2HB SER 43 -11.151 -2.357 3.840 346 HG SER 43 HG SER 43 -12.058 -2.602 6.486 347 H ARG 44 H ARG 44 -11.303 -4.950 3.034 348 HA ARG 44 HA ARG 44 -13.055 -6.599 4.567 349 HB2 ARG 44 1HB ARG 44 -12.398 -6.486 1.625 350 HB3 ARG 44 2HB ARG 44 -13.564 -7.618 2.296 351 HG2 ARG 44 1HG ARG 44 -13.884 -4.734 2.928 352 HG3 ARG 44 2HG ARG 44 -14.302 -5.295 1.308 353 HD2 ARG 44 1HD ARG 44 -16.312 -5.566 2.374 354 HD3 ARG 44 2HD ARG 44 -15.594 -7.155 2.632 355 HE ARG 44 HE ARG 44 -14.958 -5.385 4.760 356 HH11 ARG 44 2HH1 ARG 44 -17.525 -7.347 3.462 357 HH12 ARG 44 1HH1 ARG 44 -18.294 -7.585 4.996 358 HH21 ARG 44 2HH2 ARG 44 -15.962 -5.691 6.785 359 HH22 ARG 44 1HH2 ARG 44 -17.405 -6.642 6.885 360 H LEU 45 H LEU 45 -9.864 -6.965 3.340 361 HA LEU 45 HA LEU 45 -9.848 -9.830 3.272 362 HB2 LEU 45 1HB LEU 45 -7.623 -7.799 3.293 363 HB3 LEU 45 2HB LEU 45 -7.373 -9.536 3.122 364 HG LEU 45 HG LEU 45 -8.987 -7.878 1.190 365 HD11 LEU 45 1HD1 LEU 45 -7.139 -7.248 0.126 366 HD12 LEU 45 2HD1 LEU 45 -6.442 -8.865 0.225 367 HD13 LEU 45 3HD1 LEU 45 -6.247 -7.737 1.567 368 HD21 LEU 45 1HD2 LEU 45 -8.413 -10.716 1.511 369 HD22 LEU 45 2HD2 LEU 45 -8.001 -10.103 -0.091 370 HD23 LEU 45 3HD2 LEU 45 -9.640 -9.910 0.532 371 H LEU 46 H LEU 46 -8.084 -7.539 5.367 372 HA LEU 46 HA LEU 46 -7.719 -9.589 7.372 373 HB2 LEU 46 1HB LEU 46 -6.967 -6.670 7.343 374 HB3 LEU 46 2HB LEU 46 -6.521 -7.814 8.608 375 HG LEU 46 HG LEU 46 -5.707 -8.308 5.769 376 HD11 LEU 46 1HD1 LEU 46 -3.969 -6.787 7.675 377 HD12 LEU 46 2HD1 LEU 46 -5.084 -5.951 6.595 378 HD13 LEU 46 3HD1 LEU 46 -3.812 -6.974 5.928 379 HD21 LEU 46 1HD2 LEU 46 -5.496 -9.877 7.898 380 HD22 LEU 46 2HD2 LEU 46 -4.045 -8.907 8.154 381 HD23 LEU 46 3HD2 LEU 46 -4.246 -9.813 6.654 382 H LYS 47 H LYS 47 -10.387 -8.176 6.613 383 HA LYS 47 HA LYS 47 -12.275 -7.436 7.660 384 HB2 LYS 47 1HB LYS 47 -11.134 -9.107 9.907 385 HB3 LYS 47 2HB LYS 47 -12.806 -8.576 9.778 386 HG2 LYS 47 1HG LYS 47 -13.018 -10.673 8.941 387 HG3 LYS 47 2HG LYS 47 -12.641 -9.813 7.447 388 HD2 LYS 47 1HD LYS 47 -11.151 -11.545 7.298 389 HD3 LYS 47 2HD LYS 47 -10.161 -10.364 8.160 390 HE2 LYS 47 1HE LYS 47 -10.338 -11.484 10.167 391 HE3 LYS 47 2HE LYS 47 -11.849 -12.272 9.714 392 HZ1 LYS 47 1HZ LYS 47 -9.404 -13.429 9.672 393 HZ2 LYS 47 2HZ LYS 47 -9.627 -13.012 8.048 394 HZ3 LYS 47 3HZ LYS 47 -10.762 -13.991 8.833 395 H VAL 48 H VAL 48 -9.937 -5.729 7.887 396 HA VAL 48 HA VAL 48 -10.440 -4.453 10.494 397 HB VAL 48 HB VAL 48 -8.069 -3.996 8.683 398 HG11 VAL 48 1HG1 VAL 48 -8.379 -3.340 11.604 399 HG12 VAL 48 2HG1 VAL 48 -7.103 -2.818 10.502 400 HG13 VAL 48 3HG1 VAL 48 -8.742 -2.196 10.312 401 HG21 VAL 48 1HG2 VAL 48 -6.957 -5.288 10.697 402 HG22 VAL 48 2HG2 VAL 48 -8.561 -6.009 10.818 403 HG23 VAL 48 3HG2 VAL 48 -7.641 -6.152 9.320 404 HA PRO 49 HA PRO 49 -12.445 -1.151 8.355 405 HB2 PRO 49 1HB PRO 49 -12.353 0.694 10.344 406 HB3 PRO 49 2HB PRO 49 -13.461 -0.683 10.362 407 HG2 PRO 49 1HG PRO 49 -10.836 -0.346 11.762 408 HG3 PRO 49 2HG PRO 49 -12.353 -1.029 12.377 409 HD2 PRO 49 1HD PRO 49 -10.293 -2.574 11.539 410 HD3 PRO 49 2HD PRO 49 -11.989 -3.070 11.368 411 H VAL 50 H VAL 50 -11.726 0.335 6.959 412 HA VAL 50 HA VAL 50 -9.127 0.949 6.451 413 HB VAL 50 HB VAL 50 -11.562 2.669 5.999 414 HG11 VAL 50 1HG1 VAL 50 -8.740 3.065 5.021 415 HG12 VAL 50 2HG1 VAL 50 -10.148 3.874 4.331 416 HG13 VAL 50 3HG1 VAL 50 -9.697 4.166 6.011 417 HG21 VAL 50 1HG2 VAL 50 -10.042 1.331 3.828 418 HG22 VAL 50 2HG2 VAL 50 -11.039 0.322 4.877 419 HG23 VAL 50 3HG2 VAL 50 -11.772 1.646 3.972 420 H SER 51 H SER 51 -11.089 2.218 8.990 421 HA SER 51 HA SER 51 -9.592 4.582 9.504 422 HB2 SER 51 1HB SER 51 -11.984 3.929 10.302 423 HB3 SER 51 2HB SER 51 -11.143 3.124 11.626 424 HG SER 51 HG SER 51 -10.983 5.011 12.510 425 H GLU 52 H GLU 52 -9.534 1.306 10.856 426 HA GLU 52 HA GLU 52 -7.283 1.967 12.567 427 HB2 GLU 52 1HB GLU 52 -8.752 -0.636 12.116 428 HB3 GLU 52 2HB GLU 52 -7.457 -0.409 13.283 429 HG2 GLU 52 1HG GLU 52 -8.904 1.429 14.286 430 HG3 GLU 52 2HG GLU 52 -10.210 0.774 13.300 431 H LEU 53 H LEU 53 -7.464 1.526 9.412 432 HA LEU 53 HA LEU 53 -5.197 -0.310 9.162 433 HB2 LEU 53 1HB LEU 53 -7.279 0.729 7.314 434 HB3 LEU 53 2HB LEU 53 -5.719 0.273 6.632 435 HG LEU 53 HG LEU 53 -7.651 -1.510 8.109 436 HD11 LEU 53 1HD1 LEU 53 -8.500 -1.692 6.050 437 HD12 LEU 53 2HD1 LEU 53 -7.063 -2.649 5.694 438 HD13 LEU 53 3HD1 LEU 53 -7.097 -0.930 5.301 439 HD21 LEU 53 1HD2 LEU 53 -5.616 -2.358 8.803 440 HD22 LEU 53 2HD2 LEU 53 -4.795 -1.896 7.312 441 HD23 LEU 53 3HD2 LEU 53 -5.907 -3.266 7.319 442 H LEU 54 H LEU 54 -3.487 0.944 9.872 443 HA LEU 54 HA LEU 54 -3.009 3.522 8.597 444 HB2 LEU 54 1HB LEU 54 -1.315 2.119 10.653 445 HB3 LEU 54 2HB LEU 54 -1.251 3.819 10.191 446 HG LEU 54 HG LEU 54 -2.286 3.572 12.365 447 HD11 LEU 54 1HD1 LEU 54 -4.440 4.229 10.371 448 HD12 LEU 54 2HD1 LEU 54 -3.087 5.302 10.726 449 HD13 LEU 54 3HD1 LEU 54 -4.231 4.876 11.999 450 HD21 LEU 54 1HD2 LEU 54 -4.582 2.089 11.155 451 HD22 LEU 54 2HD2 LEU 54 -4.088 2.208 12.844 452 HD23 LEU 54 3HD2 LEU 54 -3.162 1.210 11.722 453 H LEU 55 H LEU 55 -2.180 3.365 6.606 454 HA LEU 55 HA LEU 55 -0.297 1.258 5.940 455 HB2 LEU 55 1HB LEU 55 -1.936 3.212 4.465 456 HB3 LEU 55 2HB LEU 55 -0.385 2.811 3.730 457 HG LEU 55 HG LEU 55 -2.170 1.447 2.802 458 HD11 LEU 55 1HD1 LEU 55 -1.057 -0.588 2.870 459 HD12 LEU 55 2HD1 LEU 55 -0.578 -0.385 4.555 460 HD13 LEU 55 3HD1 LEU 55 0.204 0.570 3.296 461 HD21 LEU 55 1HD2 LEU 55 -3.254 1.491 5.305 462 HD22 LEU 55 2HD2 LEU 55 -2.606 -0.147 5.219 463 HD23 LEU 55 3HD2 LEU 55 -3.754 0.412 4.002 464 H SER 56 H SER 56 1.851 1.481 5.745 465 HA SER 56 HA SER 56 3.008 4.174 5.693 466 HB2 SER 56 1HB SER 56 4.710 3.447 7.386 467 HB3 SER 56 2HB SER 56 3.074 3.580 8.031 468 HG SER 56 HG SER 56 4.674 1.356 7.700 469 H TYR 57 H TYR 57 4.403 4.323 4.078 470 HA TYR 57 HA TYR 57 5.562 1.868 2.971 471 HB2 TYR 57 1HB TYR 57 5.627 2.897 0.915 472 HB3 TYR 57 2HB TYR 57 4.251 3.732 1.628 473 HD1 TYR 57 1HD TYR 57 4.921 5.922 2.998 474 HD2 TYR 57 2HD TYR 57 7.243 4.180 -0.114 475 HE1 TYR 57 1HE TYR 57 6.035 8.083 2.627 476 HE2 TYR 57 2HE TYR 57 8.363 6.337 -0.492 477 HH TYR 57 HH TYR 57 7.732 8.838 -0.067 478 H GLU 58 H GLU 58 7.760 1.624 2.639 479 HA GLU 58 HA GLU 58 9.445 3.391 4.262 480 HB2 GLU 58 1HB GLU 58 9.351 0.836 4.579 481 HB3 GLU 58 2HB GLU 58 10.292 0.750 3.096 482 HG2 GLU 58 1HG GLU 58 11.923 2.340 4.258 483 HG3 GLU 58 2HG GLU 58 11.071 1.915 5.742 484 H SER 59 H SER 59 10.454 4.953 3.200 485 HA SER 59 HA SER 59 10.881 4.855 0.367 486 HB2 SER 59 1HB SER 59 12.059 7.057 0.776 487 HB3 SER 59 2HB SER 59 10.381 6.995 1.316 488 HG SER 59 HG SER 59 12.737 7.095 2.809 489 H SER 60 H SER 60 12.497 3.834 -0.589 490 HA SER 60 HA SER 60 14.601 2.549 0.624 491 HB2 SER 60 1HB SER 60 13.932 2.156 -1.712 492 HB3 SER 60 2HB SER 60 14.577 3.734 -2.164 493 HG SER 60 HG SER 60 16.624 3.018 -1.714 494 H LYS 61 H LYS 61 14.821 5.671 -1.091 495 HA LYS 61 HA LYS 61 17.395 6.366 -0.677 496 HB2 LYS 61 1HB LYS 61 16.706 8.705 -0.661 497 HB3 LYS 61 2HB LYS 61 15.761 7.794 -1.832 498 HG2 LYS 61 1HG LYS 61 14.062 7.585 0.143 499 HG3 LYS 61 2HG LYS 61 14.920 9.001 0.757 500 HD2 LYS 61 1HD LYS 61 14.242 10.337 -0.996 501 HD3 LYS 61 2HD LYS 61 14.002 8.968 -2.084 502 HE2 LYS 61 1HE LYS 61 12.003 8.323 -0.897 503 HE3 LYS 61 2HE LYS 61 12.275 9.575 0.313 504 HZ1 LYS 61 1HZ LYS 61 11.895 10.191 -2.559 505 HZ2 LYS 61 2HZ LYS 61 11.820 11.256 -1.247 506 HZ3 LYS 61 3HZ LYS 61 10.604 10.102 -1.469 507 H MET 62 H MET 62 14.813 6.540 1.730 508 HA MET 62 HA MET 62 16.862 7.084 3.777 509 HB2 MET 62 1HB MET 62 14.888 8.767 3.266 510 HB3 MET 62 2HB MET 62 13.974 7.656 4.278 511 HG2 MET 62 1HG MET 62 14.726 9.307 5.738 512 HG3 MET 62 2HG MET 62 15.820 7.951 5.997 513 HE1 MET 62 1HE MET 62 16.891 12.136 5.273 514 HE2 MET 62 2HE MET 62 15.703 11.633 4.071 515 HE3 MET 62 3HE MET 62 15.380 11.386 5.788 516 HA PRO 63 HA PRO 63 15.343 2.850 4.670 517 HB2 PRO 63 1HB PRO 63 17.707 1.997 5.696 518 HB3 PRO 63 2HB PRO 63 17.356 1.997 3.963 519 HG2 PRO 63 1HG PRO 63 18.912 3.978 5.581 520 HG3 PRO 63 2HG PRO 63 19.284 3.297 3.986 521 HD2 PRO 63 1HD PRO 63 18.206 5.760 4.302 522 HD3 PRO 63 2HD PRO 63 17.849 4.735 2.898 523 H GLY 64 H GLY 64 15.100 1.733 6.702 524 HA2 GLY 64 1HA GLY 64 14.640 1.639 8.949 525 HA3 GLY 64 2HA GLY 64 16.029 2.693 9.171 526 H ARG 65 H ARG 65 13.221 3.577 7.271 527 HA ARG 65 HA ARG 65 12.075 5.143 9.421 528 HB2 ARG 65 1HB ARG 65 13.892 6.578 8.501 529 HB3 ARG 65 2HB ARG 65 13.100 6.517 6.932 530 HG2 ARG 65 1HG ARG 65 11.072 7.513 8.053 531 HG3 ARG 65 2HG ARG 65 12.101 7.796 9.459 532 HD2 ARG 65 1HD ARG 65 12.840 8.766 6.713 533 HD3 ARG 65 2HD ARG 65 11.823 9.714 7.798 534 HE ARG 65 HE ARG 65 14.640 9.438 7.930 535 HH11 ARG 65 2HH1 ARG 65 11.803 9.698 9.931 536 HH12 ARG 65 1HH1 ARG 65 12.650 10.406 11.267 537 HH21 ARG 65 2HH2 ARG 65 15.766 10.369 9.681 538 HH22 ARG 65 1HH2 ARG 65 14.904 10.788 11.123 539 H GLU 66 H GLU 66 9.950 4.925 9.258 540 HA GLU 66 HA GLU 66 8.788 4.418 6.602 541 HB2 GLU 66 1HB GLU 66 7.814 3.653 9.357 542 HB3 GLU 66 2HB GLU 66 6.870 3.433 7.890 543 HG2 GLU 66 1HG GLU 66 7.788 1.360 8.117 544 HG3 GLU 66 2HG GLU 66 8.988 2.131 7.081 545 H ILE 67 H ILE 67 6.945 5.518 5.945 546 HA ILE 67 HA ILE 67 6.378 7.975 7.464 547 HB ILE 67 HB ILE 67 6.000 7.428 4.517 548 HG12 ILE 67 1HG1 ILE 67 7.718 9.441 4.538 549 HG13 ILE 67 2HG1 ILE 67 8.111 8.798 6.129 550 HG21 ILE 67 1HG2 ILE 67 4.576 9.128 4.501 551 HG22 ILE 67 2HG2 ILE 67 4.792 9.363 6.234 552 HG23 ILE 67 3HG2 ILE 67 5.860 10.182 5.094 553 HD11 ILE 67 1HD1 ILE 67 8.342 6.543 4.891 554 HD12 ILE 67 2HD1 ILE 67 8.468 7.546 3.446 555 HD13 ILE 67 3HD1 ILE 67 9.629 7.741 4.758 556 H GLU 68 H GLU 68 4.594 7.751 8.648 557 HA GLU 68 HA GLU 68 2.500 5.927 8.010 558 HB2 GLU 68 1HB GLU 68 1.310 7.289 9.885 559 HB3 GLU 68 2HB GLU 68 2.690 6.278 10.290 560 HG2 GLU 68 1HG GLU 68 4.111 8.106 10.539 561 HG3 GLU 68 2HG GLU 68 3.031 9.183 9.656 562 H LEU 69 H LEU 69 1.246 6.265 6.289 563 HA LEU 69 HA LEU 69 0.646 8.858 5.265 564 HB2 LEU 69 1HB LEU 69 -0.830 6.327 4.606 565 HB3 LEU 69 2HB LEU 69 -0.608 7.754 3.597 566 HG LEU 69 HG LEU 69 1.625 5.889 4.388 567 HD11 LEU 69 1HD1 LEU 69 0.466 4.479 3.031 568 HD12 LEU 69 2HD1 LEU 69 1.339 5.392 1.802 569 HD13 LEU 69 3HD1 LEU 69 -0.340 5.789 2.167 570 HD21 LEU 69 1HD2 LEU 69 2.450 8.056 3.827 571 HD22 LEU 69 2HD2 LEU 69 1.404 8.151 2.410 572 HD23 LEU 69 3HD2 LEU 69 2.740 7.000 2.444 573 H GLU 70 H GLU 70 -0.530 10.164 6.553 574 HA GLU 70 HA GLU 70 -2.821 9.137 8.009 575 HB2 GLU 70 1HB GLU 70 -3.000 11.467 8.862 576 HB3 GLU 70 2HB GLU 70 -1.432 10.732 9.162 577 HG2 GLU 70 1HG GLU 70 -0.469 11.955 7.308 578 HG3 GLU 70 2HG GLU 70 -2.044 12.645 6.921 579 H ASN 71 H ASN 71 -2.136 10.921 5.110 580 HA ASN 71 HA ASN 71 -4.903 11.747 4.772 581 HB2 ASN 71 1HB ASN 71 -2.350 12.249 3.278 582 HB3 ASN 71 2HB ASN 71 -3.898 12.554 2.496 583 HD21 ASN 71 1HD2 ASN 71 -4.769 14.477 2.776 584 HD22 ASN 71 2HD2 ASN 71 -4.353 15.607 4.015 585 H ASP 72 H ASP 72 -6.377 10.564 3.762 586 HA ASP 72 HA ASP 72 -5.522 8.191 2.285 587 HB2 ASP 72 1HB ASP 72 -8.366 8.930 2.949 588 HB3 ASP 72 2HB ASP 72 -7.701 7.335 2.608 589 H LEU 73 H LEU 73 -7.293 11.196 1.853 590 HA LEU 73 HA LEU 73 -8.281 10.664 -0.739 591 HB2 LEU 73 1HB LEU 73 -7.627 13.312 0.544 592 HB3 LEU 73 2HB LEU 73 -8.616 13.083 -0.897 593 HG LEU 73 HG LEU 73 -9.323 12.051 1.849 594 HD11 LEU 73 1HD1 LEU 73 -10.252 14.506 0.370 595 HD12 LEU 73 2HD1 LEU 73 -9.364 14.452 1.892 596 HD13 LEU 73 3HD1 LEU 73 -11.022 13.855 1.817 597 HD21 LEU 73 1HD2 LEU 73 -10.297 11.431 -0.745 598 HD22 LEU 73 2HD2 LEU 73 -11.539 12.353 0.102 599 HD23 LEU 73 3HD2 LEU 73 -10.895 10.875 0.819 600 H GLN 74 H GLN 74 -5.149 11.013 0.310 601 HA GLN 74 HA GLN 74 -4.182 12.263 -2.147 602 HB2 GLN 74 1HB GLN 74 -2.799 11.447 0.409 603 HB3 GLN 74 2HB GLN 74 -1.935 12.047 -1.000 604 HG2 GLN 74 1HG GLN 74 -4.100 13.575 0.422 605 HG3 GLN 74 2HG GLN 74 -2.377 13.752 0.754 606 HE21 GLN 74 1HE2 GLN 74 -4.794 15.240 -0.695 607 HE22 GLN 74 2HE2 GLN 74 -3.982 15.990 -2.023 608 HA PRO 75 HA PRO 75 -3.361 8.370 -4.056 609 HB2 PRO 75 1HB PRO 75 -1.635 9.240 -5.962 610 HB3 PRO 75 2HB PRO 75 -3.378 9.524 -6.043 611 HG2 PRO 75 1HG PRO 75 -1.199 11.368 -5.142 612 HG3 PRO 75 2HG PRO 75 -2.605 11.713 -6.166 613 HD2 PRO 75 1HD PRO 75 -2.527 12.349 -3.535 614 HD3 PRO 75 2HD PRO 75 -4.030 11.896 -4.363 615 H LEU 76 H LEU 76 -1.328 7.164 -4.900 616 HA LEU 76 HA LEU 76 0.478 6.921 -2.689 617 HB2 LEU 76 1HB LEU 76 0.274 5.550 -5.356 618 HB3 LEU 76 2HB LEU 76 1.568 5.201 -4.211 619 HG LEU 76 HG LEU 76 -0.133 3.510 -4.039 620 HD11 LEU 76 1HD1 LEU 76 -0.703 5.129 -1.617 621 HD12 LEU 76 2HD1 LEU 76 0.975 4.707 -1.958 622 HD13 LEU 76 3HD1 LEU 76 -0.232 3.436 -1.766 623 HD21 LEU 76 1HD2 LEU 76 -1.987 4.896 -4.936 624 HD22 LEU 76 2HD2 LEU 76 -2.080 5.715 -3.376 625 HD23 LEU 76 3HD2 LEU 76 -2.423 3.988 -3.488 626 H GLN 77 H GLN 77 0.600 8.310 -5.901 627 HA GLN 77 HA GLN 77 3.408 8.637 -6.050 628 HB2 GLN 77 1HB GLN 77 2.998 10.039 -7.933 629 HB3 GLN 77 2HB GLN 77 1.797 8.755 -7.980 630 HG2 GLN 77 1HG GLN 77 0.080 10.195 -7.258 631 HG3 GLN 77 2HG GLN 77 1.227 11.447 -6.783 632 HE21 GLN 77 1HE2 GLN 77 1.023 13.122 -8.074 633 HE22 GLN 77 2HE2 GLN 77 0.840 13.071 -9.791 634 H PHE 78 H PHE 78 0.958 10.298 -4.322 635 HA PHE 78 HA PHE 78 2.196 12.837 -4.105 636 HB2 PHE 78 1HB PHE 78 -0.116 12.727 -3.585 637 HB3 PHE 78 2HB PHE 78 0.126 11.410 -2.442 638 HD1 PHE 78 2HD PHE 78 1.115 14.960 -2.991 639 HD2 PHE 78 1HD PHE 78 0.196 11.887 -0.193 640 HE1 PHE 78 2HE PHE 78 1.273 16.590 -1.155 641 HE2 PHE 78 1HE PHE 78 0.352 13.512 1.648 642 HZ PHE 78 HZ PHE 78 0.892 15.867 1.169 643 H TYR 79 H TYR 79 2.643 9.808 -2.470 644 HA TYR 79 HA TYR 79 4.343 11.062 -0.440 645 HB2 TYR 79 1HB TYR 79 3.193 8.284 -0.703 646 HB3 TYR 79 2HB TYR 79 4.390 8.707 0.515 647 HD1 TYR 79 2HD TYR 79 3.810 10.176 2.375 648 HD2 TYR 79 1HD TYR 79 0.912 9.082 -0.542 649 HE1 TYR 79 2HE TYR 79 2.020 10.965 3.865 650 HE2 TYR 79 1HE TYR 79 -0.886 9.870 0.940 651 HH TYR 79 HH TYR 79 -0.979 10.153 3.730 652 H SER 80 H SER 80 5.038 10.725 -3.328 653 HA SER 80 HA SER 80 6.805 10.113 -4.629 654 HB2 SER 80 1HB SER 80 7.849 11.360 -2.553 655 HB3 SER 80 2HB SER 80 8.499 9.763 -2.186 656 HG SER 80 HG SER 80 9.901 10.035 -3.716 657 H VAL 81 H VAL 81 5.090 8.002 -3.856 658 HA VAL 81 HA VAL 81 6.796 5.736 -3.215 659 HB VAL 81 HB VAL 81 3.835 5.854 -3.804 660 HG11 VAL 81 1HG1 VAL 81 3.825 3.561 -2.819 661 HG12 VAL 81 2HG1 VAL 81 4.644 3.676 -4.377 662 HG13 VAL 81 3HG1 VAL 81 5.587 3.579 -2.889 663 HG21 VAL 81 1HG2 VAL 81 3.512 6.364 -1.664 664 HG22 VAL 81 2HG2 VAL 81 4.579 5.064 -1.133 665 HG23 VAL 81 3HG2 VAL 81 5.248 6.646 -1.531 666 H GLU 82 H GLU 82 7.861 4.670 -4.737 667 HA GLU 82 HA GLU 82 6.658 4.459 -7.416 668 HB2 GLU 82 1HB GLU 82 9.556 4.958 -6.726 669 HB3 GLU 82 2HB GLU 82 8.995 4.508 -8.330 670 HG2 GLU 82 1HG GLU 82 7.457 6.572 -8.113 671 HG3 GLU 82 2HG GLU 82 8.563 7.051 -6.826 672 H ASN 83 H ASN 83 7.215 2.562 -8.613 673 HA ASN 83 HA ASN 83 6.919 0.175 -7.416 674 HB2 ASN 83 1HB ASN 83 8.363 -0.771 -9.358 675 HB3 ASN 83 2HB ASN 83 6.887 0.105 -9.748 676 HD21 ASN 83 1HD2 ASN 83 7.050 2.249 -10.520 677 HD22 ASN 83 2HD2 ASN 83 8.501 2.814 -11.268 678 H GLY 84 H GLY 84 8.166 -1.429 -6.487 679 HA2 GLY 84 1HA GLY 84 10.249 -2.417 -5.861 680 HA3 GLY 84 2HA GLY 84 11.012 -0.844 -6.043 681 H ASP 85 H ASP 85 8.865 0.515 -4.554 682 HA ASP 85 HA ASP 85 9.998 0.530 -2.017 683 HB2 ASP 85 1HB ASP 85 8.314 2.174 -3.191 684 HB3 ASP 85 2HB ASP 85 7.101 1.204 -2.359 685 H CYS 86 H CYS 86 8.450 0.175 0.005 686 HA CYS 86 HA CYS 86 7.329 -2.541 -0.202 687 HB2 CYS 86 1HB CYS 86 9.084 -1.399 1.977 688 HB3 CYS 86 2HB CYS 86 8.176 -2.896 2.148 689 HG CYS 86 HG CYS 86 9.740 -4.443 0.747 690 H LEU 87 H LEU 87 5.331 -2.783 0.573 691 HA LEU 87 HA LEU 87 4.077 -0.496 1.886 692 HB2 LEU 87 1HB LEU 87 2.920 -3.001 0.676 693 HB3 LEU 87 2HB LEU 87 1.965 -1.737 1.448 694 HG LEU 87 HG LEU 87 3.651 -1.379 -1.029 695 HD11 LEU 87 1HD1 LEU 87 1.904 -2.593 -1.855 696 HD12 LEU 87 2HD1 LEU 87 1.201 -0.978 -1.915 697 HD13 LEU 87 3HD1 LEU 87 0.793 -2.068 -0.590 698 HD21 LEU 87 1HD2 LEU 87 3.440 0.649 0.338 699 HD22 LEU 87 2HD2 LEU 87 1.684 0.481 0.303 700 HD23 LEU 87 3HD2 LEU 87 2.571 0.790 -1.191 701 H LEU 88 H LEU 88 3.442 -0.489 3.958 702 HA LEU 88 HA LEU 88 3.611 -3.020 5.457 703 HB2 LEU 88 1HB LEU 88 4.253 -0.260 6.484 704 HB3 LEU 88 2HB LEU 88 4.377 -1.769 7.387 705 HG LEU 88 HG LEU 88 6.002 -1.368 4.906 706 HD11 LEU 88 1HD1 LEU 88 7.078 -0.606 7.586 707 HD12 LEU 88 2HD1 LEU 88 6.200 0.577 6.618 708 HD13 LEU 88 3HD1 LEU 88 7.660 -0.176 5.977 709 HD21 LEU 88 1HD2 LEU 88 6.493 -2.892 7.462 710 HD22 LEU 88 2HD2 LEU 88 7.501 -2.913 6.015 711 HD23 LEU 88 3HD2 LEU 88 5.872 -3.587 5.965 712 H VAL 89 H VAL 89 1.674 -3.651 6.113 713 HA VAL 89 HA VAL 89 -0.428 -1.657 6.539 714 HB VAL 89 HB VAL 89 -0.619 -4.667 6.355 715 HG11 VAL 89 1HG1 VAL 89 -3.110 -3.427 5.905 716 HG12 VAL 89 2HG1 VAL 89 -2.643 -4.473 7.248 717 HG13 VAL 89 3HG1 VAL 89 -2.449 -2.725 7.382 718 HG21 VAL 89 1HG2 VAL 89 -1.239 -4.454 4.154 719 HG22 VAL 89 2HG2 VAL 89 -1.777 -2.786 4.352 720 HG23 VAL 89 3HG2 VAL 89 -0.053 -3.155 4.287 721 H ARG 90 H ARG 90 -0.540 -0.889 8.546 722 HA ARG 90 HA ARG 90 -0.276 -2.794 10.779 723 HB2 ARG 90 1HB ARG 90 1.582 -1.072 10.541 724 HB3 ARG 90 2HB ARG 90 0.377 0.146 10.938 725 HG2 ARG 90 1HG ARG 90 0.719 -2.180 12.762 726 HG3 ARG 90 2HG ARG 90 1.917 -0.886 12.785 727 HD2 ARG 90 1HD ARG 90 -0.169 0.666 12.938 728 HD3 ARG 90 2HD ARG 90 -0.988 -0.797 13.482 729 HE ARG 90 HE ARG 90 0.013 -0.500 15.501 730 HH11 ARG 90 2HH1 ARG 90 1.963 1.062 13.077 731 HH12 ARG 90 1HH1 ARG 90 3.108 1.690 14.216 732 HH21 ARG 90 2HH2 ARG 90 1.513 0.322 17.010 733 HH22 ARG 90 1HH2 ARG 90 2.851 1.268 16.453 734 H TRP 91 H TRP 91 -1.777 -2.701 12.405 735 HA TRP 91 HA TRP 91 -3.774 -0.584 12.399 736 HB2 TRP 91 1HB TRP 91 -5.663 -2.060 12.206 737 HB3 TRP 91 2HB TRP 91 -4.604 -2.350 10.829 738 HD1 TRP 91 HD TRP 91 -5.694 -3.975 14.143 739 HE1 TRP 91 1HE TRP 91 -5.219 -6.501 14.000 740 HE3 TRP 91 3HE TRP 91 -3.219 -4.084 9.671 741 HZ2 TRP 91 2HZ TRP 91 -3.961 -8.301 12.227 742 HZ3 TRP 91 3HZ TRP 91 -2.412 -6.248 8.822 743 HH2 TRP 91 HH TRP 91 -2.776 -8.311 10.075 744 H SER 92 H SER 92 -4.733 -0.256 14.375 745 HA SER 92 HA SER 92 -3.682 -1.901 16.577 746 HB2 SER 92 1HB SER 92 -2.974 0.435 16.681 747 HB3 SER 92 2HB SER 92 -4.653 0.967 16.596 748 HG SER 92 HG SER 92 -5.012 -0.043 18.597 749 H GLY 93 H GLY 93 -5.049 -2.563 18.251 750 HA2 GLY 93 1HA GLY 93 -7.864 -2.750 17.455 751 HA3 GLY 93 2HA GLY 93 -7.058 -3.759 18.647 752 HA PRO 94 HA PRO 94 -8.562 -1.300 21.942 753 HB2 PRO 94 1HB PRO 94 -6.429 -1.081 23.606 754 HB3 PRO 94 2HB PRO 94 -7.323 -2.590 23.384 755 HG2 PRO 94 1HG PRO 94 -4.738 -1.719 22.148 756 HG3 PRO 94 2HG PRO 94 -5.182 -3.300 22.819 757 HD2 PRO 94 1HD PRO 94 -5.187 -2.792 20.159 758 HD3 PRO 94 2HD PRO 94 -6.322 -3.927 20.917 759 H SER 95 H SER 95 -9.060 0.738 21.286 760 HA SER 95 HA SER 95 -7.262 2.681 20.382 761 HB2 SER 95 1HB SER 95 -9.980 3.013 21.673 762 HB3 SER 95 2HB SER 95 -9.102 4.302 20.851 763 HG SER 95 HG SER 95 -10.704 3.086 19.575 764 H SER 96 H SER 96 -6.698 4.728 21.435 765 HA SER 96 HA SER 96 -6.709 4.849 24.313 766 HB2 SER 96 1HB SER 96 -4.290 4.825 24.612 767 HB3 SER 96 2HB SER 96 -4.810 3.312 23.870 768 HG SER 96 HG SER 96 -3.090 3.983 22.688 769 H GLY 97 H GLY 97 -7.041 6.912 24.787 770 HA2 GLY 97 1HA GLY 97 -5.568 9.095 24.318 771 HA3 GLY 97 2HA GLY 97 -6.460 8.961 22.809 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.690 2.165 -27.860 2 HA2 GLY 1 1HA GLY 1 4.914 3.384 -26.344 3 HA3 GLY 1 2HA GLY 1 4.356 3.962 -27.907 4 H SER 2 H SER 2 3.580 5.944 -27.555 5 HA SER 2 HA SER 2 2.474 7.691 -26.572 6 HB2 SER 2 1HB SER 2 0.518 5.424 -26.665 7 HB3 SER 2 2HB SER 2 0.042 6.940 -25.899 8 HG SER 2 HG SER 2 1.260 7.093 -28.400 9 H SER 3 H SER 3 4.245 6.517 -24.787 10 HA SER 3 HA SER 3 3.168 5.761 -22.318 11 HB2 SER 3 1HB SER 3 5.791 7.014 -23.105 12 HB3 SER 3 2HB SER 3 5.414 6.656 -21.420 13 HG SER 3 HG SER 3 6.159 4.976 -23.421 14 H GLY 4 H GLY 4 3.659 7.168 -20.269 15 HA2 GLY 4 1HA GLY 4 3.501 9.952 -20.331 16 HA3 GLY 4 2HA GLY 4 1.853 9.342 -20.325 17 H SER 5 H SER 5 2.228 10.791 -18.259 18 HA SER 5 HA SER 5 2.852 8.939 -16.053 19 HB2 SER 5 1HB SER 5 4.459 10.942 -16.455 20 HB3 SER 5 2HB SER 5 3.156 11.918 -15.776 21 HG SER 5 HG SER 5 3.286 10.138 -14.043 22 H SER 6 H SER 6 0.314 9.184 -17.225 23 HA SER 6 HA SER 6 -1.223 10.829 -15.351 24 HB2 SER 6 1HB SER 6 -3.106 10.510 -16.837 25 HB3 SER 6 2HB SER 6 -1.707 10.983 -17.800 26 HG SER 6 HG SER 6 -1.478 8.500 -17.900 27 H GLY 7 H GLY 7 0.077 8.496 -14.362 28 HA2 GLY 7 1HA GLY 7 -0.941 7.205 -12.559 29 HA3 GLY 7 2HA GLY 7 -2.296 6.896 -13.635 30 H GLN 8 H GLN 8 0.284 5.478 -12.257 31 HA GLN 8 HA GLN 8 0.355 3.395 -14.305 32 HB2 GLN 8 1HB GLN 8 2.788 3.217 -14.197 33 HB3 GLN 8 2HB GLN 8 2.305 4.813 -14.755 34 HG2 GLN 8 1HG GLN 8 2.543 5.475 -12.259 35 HG3 GLN 8 2HG GLN 8 3.513 4.007 -12.149 36 HE21 GLN 8 1HE2 GLN 8 3.521 7.271 -12.870 37 HE22 GLN 8 2HE2 GLN 8 5.073 7.370 -13.622 38 H LEU 9 H LEU 9 0.823 1.326 -13.523 39 HA LEU 9 HA LEU 9 0.182 0.937 -10.744 40 HB2 LEU 9 1HB LEU 9 0.520 -0.784 -13.135 41 HB3 LEU 9 2HB LEU 9 0.741 -1.537 -11.557 42 HG LEU 9 HG LEU 9 -1.614 -0.329 -11.134 43 HD11 LEU 9 1HD1 LEU 9 -2.927 -0.880 -13.294 44 HD12 LEU 9 2HD1 LEU 9 -1.366 -0.692 -14.092 45 HD13 LEU 9 3HD1 LEU 9 -2.057 0.651 -13.182 46 HD21 LEU 9 1HD2 LEU 9 -1.317 -2.968 -12.563 47 HD22 LEU 9 2HD2 LEU 9 -2.648 -2.471 -11.517 48 HD23 LEU 9 3HD2 LEU 9 -1.038 -2.719 -10.839 49 H LEU 10 H LEU 10 1.539 0.548 -9.111 50 HA LEU 10 HA LEU 10 4.396 0.275 -9.742 51 HB2 LEU 10 1HB LEU 10 3.449 0.863 -6.989 52 HB3 LEU 10 2HB LEU 10 4.902 1.411 -7.824 53 HG LEU 10 HG LEU 10 2.104 2.493 -8.112 54 HD11 LEU 10 1HD1 LEU 10 4.257 4.349 -7.571 55 HD12 LEU 10 2HD1 LEU 10 4.133 3.105 -6.328 56 HD13 LEU 10 3HD1 LEU 10 2.733 4.105 -6.716 57 HD21 LEU 10 1HD2 LEU 10 2.948 4.003 -9.778 58 HD22 LEU 10 2HD2 LEU 10 3.274 2.349 -10.297 59 HD23 LEU 10 3HD2 LEU 10 4.573 3.334 -9.623 60 H THR 11 H THR 11 5.609 -1.382 -8.932 61 HA THR 11 HA THR 11 4.111 -3.649 -7.855 62 HB THR 11 HB THR 11 6.970 -3.568 -8.838 63 HG1 THR 11 1HG THR 11 5.015 -3.207 -10.342 64 HG21 THR 11 1HG2 THR 11 7.100 -5.601 -7.927 65 HG22 THR 11 2HG2 THR 11 5.889 -6.132 -9.093 66 HG23 THR 11 3HG2 THR 11 5.391 -5.577 -7.495 67 H LEU 12 H LEU 12 3.906 -3.445 -5.690 68 HA LEU 12 HA LEU 12 6.382 -3.067 -4.136 69 HB2 LEU 12 1HB LEU 12 3.622 -2.371 -3.170 70 HB3 LEU 12 2HB LEU 12 5.169 -1.936 -2.447 71 HG LEU 12 HG LEU 12 4.386 -0.909 -5.154 72 HD11 LEU 12 1HD1 LEU 12 2.727 0.276 -4.283 73 HD12 LEU 12 2HD1 LEU 12 3.915 1.112 -3.282 74 HD13 LEU 12 3HD1 LEU 12 3.086 -0.315 -2.660 75 HD21 LEU 12 1HD2 LEU 12 6.210 0.105 -2.976 76 HD22 LEU 12 2HD2 LEU 12 5.897 0.919 -4.509 77 HD23 LEU 12 3HD2 LEU 12 6.705 -0.649 -4.492 78 H LYS 13 H LYS 13 5.952 -3.896 -1.766 79 HA LYS 13 HA LYS 13 4.681 -6.548 -1.968 80 HB2 LYS 13 1HB LYS 13 7.337 -5.728 -0.880 81 HB3 LYS 13 2HB LYS 13 6.492 -7.062 -0.106 82 HG2 LYS 13 1HG LYS 13 6.438 -8.289 -2.182 83 HG3 LYS 13 2HG LYS 13 7.161 -6.926 -3.039 84 HD2 LYS 13 1HD LYS 13 9.189 -7.146 -1.706 85 HD3 LYS 13 2HD LYS 13 8.464 -8.478 -0.801 86 HE2 LYS 13 1HE LYS 13 8.394 -9.851 -2.764 87 HE3 LYS 13 2HE LYS 13 8.896 -8.504 -3.784 88 HZ1 LYS 13 1HZ LYS 13 10.501 -10.025 -1.828 89 HZ2 LYS 13 2HZ LYS 13 10.977 -8.484 -2.337 90 HZ3 LYS 13 3HZ LYS 13 10.823 -9.737 -3.463 91 H ILE 14 H ILE 14 3.104 -6.907 -0.557 92 HA ILE 14 HA ILE 14 2.600 -4.987 1.552 93 HB ILE 14 HB ILE 14 1.049 -7.400 0.617 94 HG12 ILE 14 1HG1 ILE 14 -0.603 -5.422 0.128 95 HG13 ILE 14 2HG1 ILE 14 0.856 -4.439 0.189 96 HG21 ILE 14 1HG2 ILE 14 -0.608 -5.796 2.188 97 HG22 ILE 14 2HG2 ILE 14 0.012 -7.398 2.582 98 HG23 ILE 14 3HG2 ILE 14 0.888 -5.961 3.106 99 HD11 ILE 14 1HD1 ILE 14 -0.157 -5.926 -1.970 100 HD12 ILE 14 2HD1 ILE 14 1.343 -5.000 -1.889 101 HD13 ILE 14 3HD1 ILE 14 1.338 -6.711 -1.460 102 H LYS 15 H LYS 15 3.097 -5.235 3.629 103 HA LYS 15 HA LYS 15 3.550 -7.925 4.695 104 HB2 LYS 15 1HB LYS 15 5.748 -6.958 4.019 105 HB3 LYS 15 2HB LYS 15 5.465 -5.627 5.134 106 HG2 LYS 15 1HG LYS 15 5.296 -7.343 6.966 107 HG3 LYS 15 2HG LYS 15 5.874 -8.530 5.795 108 HD2 LYS 15 1HD LYS 15 7.966 -7.524 5.623 109 HD3 LYS 15 2HD LYS 15 7.385 -5.985 6.262 110 HE2 LYS 15 1HE LYS 15 7.377 -8.463 7.949 111 HE3 LYS 15 2HE LYS 15 8.838 -7.493 7.771 112 HZ1 LYS 15 1HZ LYS 15 6.878 -5.678 8.339 113 HZ2 LYS 15 2HZ LYS 15 8.039 -6.263 9.421 114 HZ3 LYS 15 3HZ LYS 15 6.512 -6.988 9.346 115 H CYS 16 H CYS 16 2.198 -8.135 6.344 116 HA CYS 16 HA CYS 16 1.203 -5.826 7.767 117 HB2 CYS 16 1HB CYS 16 0.652 -8.771 8.186 118 HB3 CYS 16 2HB CYS 16 -0.218 -7.448 8.953 119 HG CYS 16 HG CYS 16 -0.600 -6.616 5.976 120 H SER 17 H SER 17 2.311 -4.946 9.374 121 HA SER 17 HA SER 17 4.493 -6.157 10.667 122 HB2 SER 17 1HB SER 17 4.032 -3.675 10.472 123 HB3 SER 17 2HB SER 17 2.851 -3.871 11.768 124 HG SER 17 HG SER 17 4.474 -4.454 13.153 125 H ASN 18 H ASN 18 1.122 -5.723 11.667 126 HA ASN 18 HA ASN 18 1.423 -6.833 14.250 127 HB2 ASN 18 1HB ASN 18 -1.014 -6.566 12.478 128 HB3 ASN 18 2HB ASN 18 -1.070 -7.077 14.163 129 HD21 ASN 18 1HD2 ASN 18 0.251 -5.514 15.625 130 HD22 ASN 18 2HD2 ASN 18 -0.108 -3.839 15.397 131 H GLN 19 H GLN 19 1.752 -8.276 11.294 132 HA GLN 19 HA GLN 19 1.210 -10.924 12.447 133 HB2 GLN 19 1HB GLN 19 0.659 -10.217 9.564 134 HB3 GLN 19 2HB GLN 19 0.279 -11.726 10.385 135 HG2 GLN 19 1HG GLN 19 -1.136 -10.136 11.932 136 HG3 GLN 19 2HG GLN 19 -1.097 -9.098 10.508 137 HE21 GLN 19 1HE2 GLN 19 -2.265 -9.645 8.723 138 HE22 GLN 19 2HE2 GLN 19 -3.368 -10.974 8.673 139 HA PRO 20 HA PRO 20 5.558 -10.842 11.051 140 HB2 PRO 20 1HB PRO 20 6.399 -12.639 12.905 141 HB3 PRO 20 2HB PRO 20 6.222 -10.914 13.250 142 HG2 PRO 20 1HG PRO 20 4.358 -13.171 13.875 143 HG3 PRO 20 2HG PRO 20 4.835 -11.800 14.893 144 HD2 PRO 20 1HD PRO 20 2.482 -11.872 13.556 145 HD3 PRO 20 2HD PRO 20 3.360 -10.360 13.863 146 H GLU 21 H GLU 21 3.146 -13.268 11.267 147 HA GLU 21 HA GLU 21 4.814 -15.246 9.894 148 HB2 GLU 21 1HB GLU 21 3.582 -16.154 11.737 149 HB3 GLU 21 2HB GLU 21 2.085 -15.427 11.170 150 HG2 GLU 21 1HG GLU 21 2.137 -16.887 9.200 151 HG3 GLU 21 2HG GLU 21 3.611 -17.637 9.811 152 H ARG 22 H ARG 22 1.970 -13.234 9.456 153 HA ARG 22 HA ARG 22 0.768 -14.205 7.237 154 HB2 ARG 22 1HB ARG 22 0.096 -12.125 8.370 155 HB3 ARG 22 2HB ARG 22 1.491 -11.304 7.684 156 HG2 ARG 22 1HG ARG 22 -0.083 -10.650 6.191 157 HG3 ARG 22 2HG ARG 22 0.415 -12.157 5.420 158 HD2 ARG 22 1HD ARG 22 -1.763 -12.270 7.439 159 HD3 ARG 22 2HD ARG 22 -2.134 -11.577 5.860 160 HE ARG 22 HE ARG 22 -0.793 -14.113 5.716 161 HH11 ARG 22 2HH1 ARG 22 -3.873 -12.520 6.028 162 HH12 ARG 22 1HH1 ARG 22 -4.775 -13.855 5.392 163 HH21 ARG 22 2HH2 ARG 22 -1.970 -15.878 4.876 164 HH22 ARG 22 1HH2 ARG 22 -3.692 -15.765 4.737 165 H GLN 23 H GLN 23 1.819 -15.178 5.605 166 HA GLN 23 HA GLN 23 4.323 -14.613 4.599 167 HB2 GLN 23 1HB GLN 23 3.730 -15.913 2.673 168 HB3 GLN 23 2HB GLN 23 2.944 -16.629 4.073 169 HG2 GLN 23 1HG GLN 23 1.514 -14.687 2.297 170 HG3 GLN 23 2HG GLN 23 1.597 -16.406 1.916 171 HE21 GLN 23 1HE2 GLN 23 1.058 -17.813 3.917 172 HE22 GLN 23 2HE2 GLN 23 -0.375 -17.355 4.766 173 H ILE 24 H ILE 24 5.164 -13.263 3.080 174 HA ILE 24 HA ILE 24 3.763 -10.847 2.529 175 HB ILE 24 HB ILE 24 6.318 -11.786 1.227 176 HG12 ILE 24 1HG1 ILE 24 6.105 -10.105 3.723 177 HG13 ILE 24 2HG1 ILE 24 6.285 -11.855 3.781 178 HG21 ILE 24 1HG2 ILE 24 5.170 -9.822 0.232 179 HG22 ILE 24 2HG2 ILE 24 5.322 -8.998 1.783 180 HG23 ILE 24 3HG2 ILE 24 6.768 -9.452 0.882 181 HD11 ILE 24 1HD1 ILE 24 8.252 -10.617 2.057 182 HD12 ILE 24 2HD1 ILE 24 8.315 -9.997 3.707 183 HD13 ILE 24 3HD1 ILE 24 8.467 -11.728 3.408 184 H LEU 25 H LEU 25 3.193 -9.982 0.481 185 HA LEU 25 HA LEU 25 2.895 -11.934 -1.691 186 HB2 LEU 25 1HB LEU 25 0.714 -10.001 -0.960 187 HB3 LEU 25 2HB LEU 25 0.636 -11.363 -2.076 188 HG LEU 25 HG LEU 25 1.080 -11.774 0.865 189 HD11 LEU 25 1HD1 LEU 25 -1.412 -11.034 -0.553 190 HD12 LEU 25 2HD1 LEU 25 -0.922 -10.739 1.115 191 HD13 LEU 25 3HD1 LEU 25 -1.512 -12.331 0.638 192 HD21 LEU 25 1HD2 LEU 25 0.871 -13.442 -1.443 193 HD22 LEU 25 2HD2 LEU 25 -0.483 -13.776 -0.364 194 HD23 LEU 25 3HD2 LEU 25 1.172 -13.898 0.234 195 H GLU 26 H GLU 26 2.292 -10.848 -3.782 196 HA GLU 26 HA GLU 26 3.529 -8.178 -3.944 197 HB2 GLU 26 1HB GLU 26 4.839 -10.173 -4.906 198 HB3 GLU 26 2HB GLU 26 3.620 -10.197 -6.173 199 HG2 GLU 26 1HG GLU 26 4.222 -7.674 -6.411 200 HG3 GLU 26 2HG GLU 26 5.708 -8.153 -5.592 201 H LYS 27 H LYS 27 2.064 -6.703 -4.450 202 HA LYS 27 HA LYS 27 -0.011 -7.398 -6.422 203 HB2 LYS 27 1HB LYS 27 -1.016 -7.271 -4.195 204 HB3 LYS 27 2HB LYS 27 -0.336 -5.666 -3.964 205 HG2 LYS 27 1HG LYS 27 -2.431 -5.078 -4.592 206 HG3 LYS 27 2HG LYS 27 -1.689 -5.181 -6.191 207 HD2 LYS 27 1HD LYS 27 -3.544 -6.456 -6.564 208 HD3 LYS 27 2HD LYS 27 -2.456 -7.712 -5.967 209 HE2 LYS 27 1HE LYS 27 -4.080 -6.210 -3.982 210 HE3 LYS 27 2HE LYS 27 -4.906 -7.389 -5.000 211 HZ1 LYS 27 1HZ LYS 27 -2.654 -7.875 -3.136 212 HZ2 LYS 27 2HZ LYS 27 -3.163 -9.013 -4.279 213 HZ3 LYS 27 3HZ LYS 27 -4.220 -8.511 -3.056 214 H GLN 28 H GLN 28 -0.629 -5.771 -7.862 215 HA GLN 28 HA GLN 28 1.171 -3.439 -7.931 216 HB2 GLN 28 1HB GLN 28 -0.017 -5.006 -10.224 217 HB3 GLN 28 2HB GLN 28 0.861 -3.494 -10.411 218 HG2 GLN 28 1HG GLN 28 2.789 -4.659 -9.225 219 HG3 GLN 28 2HG GLN 28 1.900 -6.155 -9.506 220 HE21 GLN 28 1HE2 GLN 28 1.952 -7.078 -11.475 221 HE22 GLN 28 2HE2 GLN 28 2.805 -6.437 -12.833 222 H LEU 29 H LEU 29 0.158 -1.597 -7.529 223 HA LEU 29 HA LEU 29 -2.606 -1.270 -8.491 224 HB2 LEU 29 1HB LEU 29 -1.519 -0.053 -5.963 225 HB3 LEU 29 2HB LEU 29 -3.189 -0.055 -6.526 226 HG LEU 29 HG LEU 29 -3.015 -1.591 -4.710 227 HD11 LEU 29 1HD1 LEU 29 -3.031 -3.751 -6.566 228 HD12 LEU 29 2HD1 LEU 29 -3.805 -2.353 -7.313 229 HD13 LEU 29 3HD1 LEU 29 -4.393 -2.965 -5.767 230 HD21 LEU 29 1HD2 LEU 29 -1.365 -3.147 -4.393 231 HD22 LEU 29 2HD2 LEU 29 -0.454 -1.888 -5.227 232 HD23 LEU 29 3HD2 LEU 29 -1.024 -3.302 -6.116 233 HA PRO 30 HA PRO 30 -1.205 2.374 -10.509 234 HB2 PRO 30 1HB PRO 30 -3.510 3.807 -10.559 235 HB3 PRO 30 2HB PRO 30 -3.235 2.394 -11.584 236 HG2 PRO 30 1HG PRO 30 -4.746 2.599 -9.008 237 HG3 PRO 30 2HG PRO 30 -5.177 1.730 -10.492 238 HD2 PRO 30 1HD PRO 30 -4.119 0.487 -8.331 239 HD3 PRO 30 2HD PRO 30 -3.811 -0.058 -9.992 240 H ASP 31 H ASP 31 -0.032 4.009 -9.747 241 HA ASP 31 HA ASP 31 0.056 4.886 -7.145 242 HB2 ASP 31 1HB ASP 31 1.299 6.829 -7.964 243 HB3 ASP 31 2HB ASP 31 1.803 5.367 -8.807 244 H SER 32 H SER 32 -2.203 5.738 -9.610 245 HA SER 32 HA SER 32 -3.087 8.212 -8.553 246 HB2 SER 32 1HB SER 32 -3.529 7.102 -10.885 247 HB3 SER 32 2HB SER 32 -4.918 6.383 -10.071 248 HG SER 32 HG SER 32 -4.349 9.163 -10.158 249 H MET 33 H MET 33 -3.952 4.870 -7.925 250 HA MET 33 HA MET 33 -6.342 5.112 -6.598 251 HB2 MET 33 1HB MET 33 -4.744 3.047 -7.060 252 HB3 MET 33 2HB MET 33 -4.267 3.339 -5.393 253 HG2 MET 33 1HG MET 33 -6.279 2.698 -4.553 254 HG3 MET 33 2HG MET 33 -7.165 3.200 -5.991 255 HE1 MET 33 1HE MET 33 -6.182 -0.761 -4.610 256 HE2 MET 33 2HE MET 33 -4.587 -0.104 -4.977 257 HE3 MET 33 3HE MET 33 -5.686 0.786 -3.923 258 H THR 34 H THR 34 -7.008 6.143 -4.838 259 HA THR 34 HA THR 34 -5.218 7.686 -3.251 260 HB THR 34 HB THR 34 -7.297 8.075 -1.822 261 HG1 THR 34 1HG THR 34 -9.184 7.214 -2.503 262 HG21 THR 34 1HG2 THR 34 -6.676 8.945 -4.512 263 HG22 THR 34 2HG2 THR 34 -7.286 9.875 -3.143 264 HG23 THR 34 3HG2 THR 34 -8.409 9.016 -4.196 265 H VAL 35 H VAL 35 -4.636 7.450 -1.094 266 HA VAL 35 HA VAL 35 -3.876 5.002 -0.160 267 HB VAL 35 HB VAL 35 -4.613 7.477 1.391 268 HG11 VAL 35 1HG1 VAL 35 -3.292 6.377 3.260 269 HG12 VAL 35 2HG1 VAL 35 -4.922 5.761 2.977 270 HG13 VAL 35 3HG1 VAL 35 -3.523 4.860 2.391 271 HG21 VAL 35 1HG2 VAL 35 -2.380 6.724 -0.158 272 HG22 VAL 35 2HG2 VAL 35 -2.572 8.163 0.844 273 HG23 VAL 35 3HG2 VAL 35 -1.866 6.698 1.529 274 H GLN 36 H GLN 36 -6.999 6.561 0.249 275 HA GLN 36 HA GLN 36 -8.063 4.828 2.189 276 HB2 GLN 36 1HB GLN 36 -9.240 6.833 1.838 277 HB3 GLN 36 2HB GLN 36 -9.305 6.593 0.097 278 HG2 GLN 36 1HG GLN 36 -10.997 4.995 0.259 279 HG3 GLN 36 2HG GLN 36 -10.710 4.738 1.979 280 HE21 GLN 36 1HE2 GLN 36 -12.189 6.760 -0.413 281 HE22 GLN 36 2HE2 GLN 36 -13.141 7.706 0.675 282 H LYS 37 H LYS 37 -8.015 4.669 -1.338 283 HA LYS 37 HA LYS 37 -9.731 2.482 -1.671 284 HB2 LYS 37 1HB LYS 37 -7.507 3.656 -3.299 285 HB3 LYS 37 2HB LYS 37 -8.230 2.131 -3.792 286 HG2 LYS 37 1HG LYS 37 -10.045 4.401 -3.189 287 HG3 LYS 37 2HG LYS 37 -9.113 4.449 -4.688 288 HD2 LYS 37 1HD LYS 37 -10.006 1.959 -4.882 289 HD3 LYS 37 2HD LYS 37 -11.288 2.602 -3.853 290 HE2 LYS 37 1HE LYS 37 -10.432 3.633 -6.554 291 HE3 LYS 37 2HE LYS 37 -11.942 2.812 -6.162 292 HZ1 LYS 37 1HZ LYS 37 -11.299 5.564 -5.948 293 HZ2 LYS 37 2HZ LYS 37 -11.781 4.962 -4.443 294 HZ3 LYS 37 3HZ LYS 37 -12.802 4.804 -5.783 295 H VAL 38 H VAL 38 -6.201 2.593 -1.281 296 HA VAL 38 HA VAL 38 -5.764 -0.181 -1.486 297 HB VAL 38 HB VAL 38 -4.119 1.837 0.047 298 HG11 VAL 38 1HG1 VAL 38 -3.339 -0.836 -1.115 299 HG12 VAL 38 2HG1 VAL 38 -2.282 0.279 -0.246 300 HG13 VAL 38 3HG1 VAL 38 -3.618 -0.509 0.595 301 HG21 VAL 38 1HG2 VAL 38 -2.987 2.368 -1.896 302 HG22 VAL 38 2HG2 VAL 38 -3.497 0.895 -2.722 303 HG23 VAL 38 3HG2 VAL 38 -4.646 2.210 -2.474 304 H LYS 39 H LYS 39 -6.573 1.895 1.234 305 HA LYS 39 HA LYS 39 -6.164 -0.102 3.235 306 HB2 LYS 39 1HB LYS 39 -7.510 2.584 3.190 307 HB3 LYS 39 2HB LYS 39 -7.635 1.540 4.600 308 HG2 LYS 39 1HG LYS 39 -5.334 1.649 5.025 309 HG3 LYS 39 2HG LYS 39 -4.983 2.290 3.419 310 HD2 LYS 39 1HD LYS 39 -6.051 4.383 3.973 311 HD3 LYS 39 2HD LYS 39 -6.569 3.743 5.535 312 HE2 LYS 39 1HE LYS 39 -4.091 3.377 6.014 313 HE3 LYS 39 2HE LYS 39 -3.785 4.397 4.609 314 HZ1 LYS 39 1HZ LYS 39 -5.293 6.065 5.765 315 HZ2 LYS 39 2HZ LYS 39 -3.746 5.846 6.413 316 HZ3 LYS 39 3HZ LYS 39 -5.084 5.129 7.160 317 H GLY 40 H GLY 40 -8.914 0.994 1.331 318 HA2 GLY 40 1HA GLY 40 -10.883 -0.463 2.788 319 HA3 GLY 40 2HA GLY 40 -11.077 0.220 1.180 320 H LEU 41 H LEU 41 -8.742 -1.266 0.147 321 HA LEU 41 HA LEU 41 -10.117 -3.573 -0.749 322 HB2 LEU 41 1HB LEU 41 -8.551 -2.659 -2.231 323 HB3 LEU 41 2HB LEU 41 -7.291 -2.605 -1.000 324 HG LEU 41 HG LEU 41 -7.606 -5.247 -1.127 325 HD11 LEU 41 1HD1 LEU 41 -9.414 -5.068 -2.804 326 HD12 LEU 41 2HD1 LEU 41 -8.027 -5.993 -3.376 327 HD13 LEU 41 3HD1 LEU 41 -8.265 -4.334 -3.923 328 HD21 LEU 41 1HD2 LEU 41 -6.034 -3.908 -3.297 329 HD22 LEU 41 2HD2 LEU 41 -5.613 -5.316 -2.320 330 HD23 LEU 41 3HD2 LEU 41 -5.594 -3.705 -1.601 331 H LEU 42 H LEU 42 -7.551 -3.062 1.629 332 HA LEU 42 HA LEU 42 -7.374 -5.886 2.231 333 HB2 LEU 42 1HB LEU 42 -6.085 -3.456 3.457 334 HB3 LEU 42 2HB LEU 42 -5.796 -5.104 4.013 335 HG LEU 42 HG LEU 42 -5.275 -4.379 1.158 336 HD11 LEU 42 1HD1 LEU 42 -2.826 -4.132 2.204 337 HD12 LEU 42 2HD1 LEU 42 -3.775 -3.466 3.533 338 HD13 LEU 42 3HD1 LEU 42 -3.897 -2.759 1.922 339 HD21 LEU 42 1HD2 LEU 42 -4.700 -6.527 1.168 340 HD22 LEU 42 2HD2 LEU 42 -4.826 -6.623 2.925 341 HD23 LEU 42 3HD2 LEU 42 -3.325 -6.076 2.176 342 H SER 43 H SER 43 -9.106 -3.132 3.360 343 HA SER 43 HA SER 43 -9.610 -3.751 6.009 344 HB2 SER 43 1HB SER 43 -10.446 -1.682 5.357 345 HB3 SER 43 2HB SER 43 -11.189 -2.328 3.894 346 HG SER 43 HG SER 43 -12.090 -2.496 6.562 347 H ARG 44 H ARG 44 -11.296 -4.897 3.107 348 HA ARG 44 HA ARG 44 -13.171 -6.486 4.567 349 HB2 ARG 44 1HB ARG 44 -12.389 -6.434 1.651 350 HB3 ARG 44 2HB ARG 44 -13.655 -7.470 2.296 351 HG2 ARG 44 1HG ARG 44 -13.761 -4.530 2.789 352 HG3 ARG 44 2HG ARG 44 -14.255 -5.180 1.225 353 HD2 ARG 44 1HD ARG 44 -16.242 -5.137 2.423 354 HD3 ARG 44 2HD ARG 44 -15.701 -6.804 2.615 355 HE ARG 44 HE ARG 44 -14.734 -5.218 4.742 356 HH11 ARG 44 2HH1 ARG 44 -17.662 -6.657 3.526 357 HH12 ARG 44 1HH1 ARG 44 -18.396 -6.797 5.088 358 HH21 ARG 44 2HH2 ARG 44 -15.690 -5.397 6.804 359 HH22 ARG 44 1HH2 ARG 44 -17.275 -6.079 6.953 360 H LEU 45 H LEU 45 -9.958 -6.949 3.394 361 HA LEU 45 HA LEU 45 -10.015 -9.809 3.353 362 HB2 LEU 45 1HB LEU 45 -7.920 -7.705 3.151 363 HB3 LEU 45 2HB LEU 45 -7.421 -9.352 3.534 364 HG LEU 45 HG LEU 45 -9.032 -8.618 1.095 365 HD11 LEU 45 1HD1 LEU 45 -7.142 -7.649 0.383 366 HD12 LEU 45 2HD1 LEU 45 -6.567 -9.304 0.181 367 HD13 LEU 45 3HD1 LEU 45 -6.161 -8.402 1.641 368 HD21 LEU 45 1HD2 LEU 45 -8.783 -11.035 2.237 369 HD22 LEU 45 2HD2 LEU 45 -7.334 -11.029 1.232 370 HD23 LEU 45 3HD2 LEU 45 -8.920 -10.794 0.495 371 H LEU 46 H LEU 46 -8.355 -7.512 5.526 372 HA LEU 46 HA LEU 46 -8.106 -9.589 7.544 373 HB2 LEU 46 1HB LEU 46 -7.147 -6.735 7.441 374 HB3 LEU 46 2HB LEU 46 -6.872 -7.818 8.804 375 HG LEU 46 HG LEU 46 -5.934 -8.606 6.077 376 HD11 LEU 46 1HD1 LEU 46 -3.737 -7.532 6.698 377 HD12 LEU 46 2HD1 LEU 46 -4.627 -6.619 7.916 378 HD13 LEU 46 3HD1 LEU 46 -5.024 -6.430 6.208 379 HD21 LEU 46 1HD2 LEU 46 -5.755 -10.295 7.733 380 HD22 LEU 46 2HD2 LEU 46 -5.084 -9.166 8.910 381 HD23 LEU 46 3HD2 LEU 46 -4.134 -9.640 7.501 382 H LYS 47 H LYS 47 -10.668 -8.066 6.697 383 HA LYS 47 HA LYS 47 -12.509 -7.122 7.677 384 HB2 LYS 47 1HB LYS 47 -11.676 -8.908 9.969 385 HB3 LYS 47 2HB LYS 47 -13.297 -8.310 9.642 386 HG2 LYS 47 1HG LYS 47 -13.483 -10.400 8.774 387 HG3 LYS 47 2HG LYS 47 -12.907 -9.546 7.341 388 HD2 LYS 47 1HD LYS 47 -10.709 -10.351 7.620 389 HD3 LYS 47 2HD LYS 47 -11.031 -10.886 9.272 390 HE2 LYS 47 1HE LYS 47 -12.588 -12.047 7.001 391 HE3 LYS 47 2HE LYS 47 -10.951 -12.618 7.321 392 HZ1 LYS 47 1HZ LYS 47 -11.638 -13.130 9.597 393 HZ2 LYS 47 2HZ LYS 47 -12.554 -13.987 8.462 394 HZ3 LYS 47 3HZ LYS 47 -13.218 -12.639 9.240 395 H VAL 48 H VAL 48 -10.273 -5.476 7.948 396 HA VAL 48 HA VAL 48 -10.605 -4.371 10.660 397 HB VAL 48 HB VAL 48 -8.297 -4.019 8.741 398 HG11 VAL 48 1HG1 VAL 48 -7.271 -2.603 10.287 399 HG12 VAL 48 2HG1 VAL 48 -8.947 -2.053 10.261 400 HG13 VAL 48 3HG1 VAL 48 -8.371 -3.068 11.584 401 HG21 VAL 48 1HG2 VAL 48 -7.292 -5.077 11.047 402 HG22 VAL 48 2HG2 VAL 48 -8.853 -5.888 10.926 403 HG23 VAL 48 3HG2 VAL 48 -7.696 -6.003 9.601 404 HA PRO 49 HA PRO 49 -12.628 -0.894 8.850 405 HB2 PRO 49 1HB PRO 49 -12.331 0.846 10.913 406 HB3 PRO 49 2HB PRO 49 -13.478 -0.498 10.947 407 HG2 PRO 49 1HG PRO 49 -10.748 -0.306 12.161 408 HG3 PRO 49 2HG PRO 49 -12.237 -0.976 12.854 409 HD2 PRO 49 1HD PRO 49 -10.295 -2.535 11.792 410 HD3 PRO 49 2HD PRO 49 -12.014 -2.973 11.725 411 H VAL 50 H VAL 50 -11.885 0.500 7.387 412 HA VAL 50 HA VAL 50 -9.249 1.126 6.920 413 HB VAL 50 HB VAL 50 -11.763 2.608 6.191 414 HG11 VAL 50 1HG1 VAL 50 -8.953 3.268 5.313 415 HG12 VAL 50 2HG1 VAL 50 -10.432 3.987 4.671 416 HG13 VAL 50 3HG1 VAL 50 -9.975 4.261 6.353 417 HG21 VAL 50 1HG2 VAL 50 -10.026 1.517 4.108 418 HG22 VAL 50 2HG2 VAL 50 -10.658 0.302 5.219 419 HG23 VAL 50 3HG2 VAL 50 -11.767 1.350 4.336 420 H SER 51 H SER 51 -11.395 2.501 9.248 421 HA SER 51 HA SER 51 -10.067 4.974 9.641 422 HB2 SER 51 1HB SER 51 -12.397 4.460 10.407 423 HB3 SER 51 2HB SER 51 -11.708 3.430 11.662 424 HG SER 51 HG SER 51 -12.204 5.888 11.971 425 H GLU 52 H GLU 52 -9.838 1.831 11.273 426 HA GLU 52 HA GLU 52 -7.752 2.736 13.039 427 HB2 GLU 52 1HB GLU 52 -8.777 -0.053 12.482 428 HB3 GLU 52 2HB GLU 52 -7.672 0.385 13.777 429 HG2 GLU 52 1HG GLU 52 -10.513 1.328 13.469 430 HG3 GLU 52 2HG GLU 52 -9.926 0.128 14.618 431 H LEU 53 H LEU 53 -7.970 1.076 9.979 432 HA LEU 53 HA LEU 53 -5.488 -0.130 9.804 433 HB2 LEU 53 1HB LEU 53 -7.345 1.079 7.812 434 HB3 LEU 53 2HB LEU 53 -5.738 0.581 7.285 435 HG LEU 53 HG LEU 53 -7.727 -1.256 8.614 436 HD11 LEU 53 1HD1 LEU 53 -7.593 -2.146 6.093 437 HD12 LEU 53 2HD1 LEU 53 -7.392 -0.419 5.803 438 HD13 LEU 53 3HD1 LEU 53 -8.820 -1.009 6.653 439 HD21 LEU 53 1HD2 LEU 53 -5.004 -1.585 7.426 440 HD22 LEU 53 2HD2 LEU 53 -6.150 -2.925 7.397 441 HD23 LEU 53 3HD2 LEU 53 -5.653 -2.222 8.937 442 H LEU 54 H LEU 54 -3.478 0.517 8.964 443 HA LEU 54 HA LEU 54 -3.016 3.375 8.588 444 HB2 LEU 54 1HB LEU 54 -1.643 1.669 10.651 445 HB3 LEU 54 2HB LEU 54 -0.984 3.199 10.076 446 HG LEU 54 HG LEU 54 -3.682 2.948 11.392 447 HD11 LEU 54 1HD1 LEU 54 -1.951 4.236 13.136 448 HD12 LEU 54 2HD1 LEU 54 -1.041 2.840 12.559 449 HD13 LEU 54 3HD1 LEU 54 -2.619 2.614 13.313 450 HD21 LEU 54 1HD2 LEU 54 -3.095 4.925 9.888 451 HD22 LEU 54 2HD2 LEU 54 -1.938 5.380 11.139 452 HD23 LEU 54 3HD2 LEU 54 -3.658 5.289 11.519 453 H LEU 55 H LEU 55 -2.130 3.446 6.632 454 HA LEU 55 HA LEU 55 -0.367 1.293 5.749 455 HB2 LEU 55 1HB LEU 55 -2.006 3.366 4.439 456 HB3 LEU 55 2HB LEU 55 -0.490 2.964 3.636 457 HG LEU 55 HG LEU 55 -2.363 1.707 2.704 458 HD11 LEU 55 1HD1 LEU 55 -0.525 -0.085 4.283 459 HD12 LEU 55 2HD1 LEU 55 -0.092 0.726 2.778 460 HD13 LEU 55 3HD1 LEU 55 -1.375 -0.483 2.790 461 HD21 LEU 55 1HD2 LEU 55 -3.918 0.663 3.921 462 HD22 LEU 55 2HD2 LEU 55 -3.290 1.590 5.284 463 HD23 LEU 55 3HD2 LEU 55 -2.722 -0.056 4.999 464 H SER 56 H SER 56 1.778 1.493 5.534 465 HA SER 56 HA SER 56 2.986 4.158 5.536 466 HB2 SER 56 1HB SER 56 4.733 3.167 7.187 467 HB3 SER 56 2HB SER 56 3.191 3.734 7.827 468 HG SER 56 HG SER 56 2.580 1.379 7.403 469 H TYR 57 H TYR 57 4.269 4.250 3.827 470 HA TYR 57 HA TYR 57 5.425 1.787 2.755 471 HB2 TYR 57 1HB TYR 57 5.490 2.810 0.696 472 HB3 TYR 57 2HB TYR 57 4.135 3.670 1.418 473 HD1 TYR 57 1HD TYR 57 4.625 5.930 2.524 474 HD2 TYR 57 2HD TYR 57 7.350 3.982 -0.099 475 HE1 TYR 57 1HE TYR 57 5.774 8.070 2.138 476 HE2 TYR 57 2HE TYR 57 8.507 6.117 -0.492 477 HH TYR 57 HH TYR 57 7.744 8.986 1.347 478 H GLU 58 H GLU 58 7.622 1.527 2.371 479 HA GLU 58 HA GLU 58 9.351 3.319 3.933 480 HB2 GLU 58 1HB GLU 58 9.262 0.909 4.588 481 HB3 GLU 58 2HB GLU 58 9.927 0.499 3.013 482 HG2 GLU 58 1HG GLU 58 11.817 2.167 3.719 483 HG3 GLU 58 2HG GLU 58 11.235 1.805 5.343 484 H SER 59 H SER 59 10.366 4.778 2.734 485 HA SER 59 HA SER 59 10.719 4.597 -0.058 486 HB2 SER 59 1HB SER 59 12.297 6.360 1.824 487 HB3 SER 59 2HB SER 59 11.960 6.646 0.117 488 HG SER 59 HG SER 59 9.873 7.094 0.593 489 H SER 60 H SER 60 12.114 3.417 -1.169 490 HA SER 60 HA SER 60 14.019 1.726 -0.154 491 HB2 SER 60 1HB SER 60 13.118 1.813 -2.530 492 HB3 SER 60 2HB SER 60 14.308 3.076 -2.841 493 HG SER 60 HG SER 60 15.919 1.644 -2.598 494 H LYS 61 H LYS 61 14.794 4.799 -1.796 495 HA LYS 61 HA LYS 61 17.440 5.014 -1.387 496 HB2 LYS 61 1HB LYS 61 15.719 7.376 -0.693 497 HB3 LYS 61 2HB LYS 61 17.247 7.343 -1.563 498 HG2 LYS 61 1HG LYS 61 15.861 7.685 -3.317 499 HG3 LYS 61 2HG LYS 61 15.797 5.922 -3.275 500 HD2 LYS 61 1HD LYS 61 13.561 6.372 -3.334 501 HD3 LYS 61 2HD LYS 61 13.811 6.405 -1.587 502 HE2 LYS 61 1HE LYS 61 14.020 8.877 -3.282 503 HE3 LYS 61 2HE LYS 61 12.482 8.324 -2.622 504 HZ1 LYS 61 1HZ LYS 61 14.875 9.263 -1.164 505 HZ2 LYS 61 2HZ LYS 61 13.688 8.334 -0.397 506 HZ3 LYS 61 3HZ LYS 61 13.285 9.835 -1.064 507 H MET 62 H MET 62 14.968 5.669 1.065 508 HA MET 62 HA MET 62 17.106 5.712 3.093 509 HB2 MET 62 1HB MET 62 15.613 7.804 2.693 510 HB3 MET 62 2HB MET 62 14.382 6.886 3.550 511 HG2 MET 62 1HG MET 62 15.399 8.225 5.173 512 HG3 MET 62 2HG MET 62 16.078 6.616 5.408 513 HE1 MET 62 1HE MET 62 19.217 7.284 6.191 514 HE2 MET 62 2HE MET 62 18.592 8.866 6.656 515 HE3 MET 62 3HE MET 62 17.583 7.431 6.839 516 HA PRO 63 HA PRO 63 14.727 1.867 3.899 517 HB2 PRO 63 1HB PRO 63 16.878 0.479 4.804 518 HB3 PRO 63 2HB PRO 63 16.479 0.620 3.088 519 HG2 PRO 63 1HG PRO 63 18.485 2.151 4.698 520 HG3 PRO 63 2HG PRO 63 18.645 1.465 3.071 521 HD2 PRO 63 1HD PRO 63 18.147 4.091 3.501 522 HD3 PRO 63 2HD PRO 63 17.527 3.221 2.083 523 H GLY 64 H GLY 64 13.828 1.288 5.809 524 HA2 GLY 64 1HA GLY 64 13.805 0.921 8.148 525 HA3 GLY 64 2HA GLY 64 15.184 1.999 8.306 526 H ARG 65 H ARG 65 13.966 4.082 6.645 527 HA ARG 65 HA ARG 65 12.302 5.261 8.724 528 HB2 ARG 65 1HB ARG 65 14.168 6.569 7.796 529 HB3 ARG 65 2HB ARG 65 13.437 6.475 6.199 530 HG2 ARG 65 1HG ARG 65 11.529 7.760 6.967 531 HG3 ARG 65 2HG ARG 65 12.199 7.806 8.599 532 HD2 ARG 65 1HD ARG 65 13.873 8.796 6.346 533 HD3 ARG 65 2HD ARG 65 12.538 9.804 6.905 534 HE ARG 65 HE ARG 65 14.255 8.856 9.012 535 HH11 ARG 65 2HH1 ARG 65 13.719 11.350 6.643 536 HH12 ARG 65 1HH1 ARG 65 14.640 12.542 7.498 537 HH21 ARG 65 2HH2 ARG 65 15.470 10.417 10.148 538 HH22 ARG 65 1HH2 ARG 65 15.637 12.010 9.491 539 H GLU 66 H GLU 66 10.309 4.288 8.506 540 HA GLU 66 HA GLU 66 8.998 4.204 5.925 541 HB2 GLU 66 1HB GLU 66 7.160 3.123 7.124 542 HB3 GLU 66 2HB GLU 66 8.695 2.351 7.496 543 HG2 GLU 66 1HG GLU 66 8.661 4.015 9.531 544 HG3 GLU 66 2HG GLU 66 6.925 3.990 9.228 545 H ILE 67 H ILE 67 7.105 5.313 5.376 546 HA ILE 67 HA ILE 67 6.708 7.808 6.881 547 HB ILE 67 HB ILE 67 6.105 7.138 4.001 548 HG12 ILE 67 1HG1 ILE 67 7.680 9.254 3.830 549 HG13 ILE 67 2HG1 ILE 67 8.203 8.723 5.425 550 HG21 ILE 67 1HG2 ILE 67 5.404 9.558 5.639 551 HG22 ILE 67 2HG2 ILE 67 5.506 9.601 3.879 552 HG23 ILE 67 3HG2 ILE 67 4.337 8.543 4.669 553 HD11 ILE 67 1HD1 ILE 67 9.356 6.998 4.600 554 HD12 ILE 67 2HD1 ILE 67 8.112 6.602 3.414 555 HD13 ILE 67 3HD1 ILE 67 9.270 7.889 3.080 556 H GLU 68 H GLU 68 4.999 7.820 8.173 557 HA GLU 68 HA GLU 68 2.823 5.972 7.829 558 HB2 GLU 68 1HB GLU 68 3.376 8.171 9.815 559 HB3 GLU 68 2HB GLU 68 1.878 7.251 9.824 560 HG2 GLU 68 1HG GLU 68 3.553 5.208 9.846 561 HG3 GLU 68 2HG GLU 68 4.626 6.414 10.554 562 H LEU 69 H LEU 69 1.507 6.371 6.147 563 HA LEU 69 HA LEU 69 0.849 8.969 5.213 564 HB2 LEU 69 1HB LEU 69 -0.752 6.480 4.702 565 HB3 LEU 69 2HB LEU 69 -0.586 7.902 3.673 566 HG LEU 69 HG LEU 69 1.705 6.040 4.263 567 HD11 LEU 69 1HD1 LEU 69 1.246 4.824 2.308 568 HD12 LEU 69 2HD1 LEU 69 0.014 5.971 1.782 569 HD13 LEU 69 3HD1 LEU 69 -0.294 4.919 3.164 570 HD21 LEU 69 1HD2 LEU 69 1.216 8.353 2.447 571 HD22 LEU 69 2HD2 LEU 69 2.309 7.070 1.927 572 HD23 LEU 69 3HD2 LEU 69 2.637 7.958 3.415 573 H GLU 70 H GLU 70 -0.300 10.359 6.387 574 HA GLU 70 HA GLU 70 -2.459 9.370 8.096 575 HB2 GLU 70 1HB GLU 70 -2.469 11.726 8.971 576 HB3 GLU 70 2HB GLU 70 -0.967 10.849 9.229 577 HG2 GLU 70 1HG GLU 70 0.102 12.018 7.439 578 HG3 GLU 70 2HG GLU 70 -1.417 12.776 6.965 579 H ASN 71 H ASN 71 -1.946 10.886 5.086 580 HA ASN 71 HA ASN 71 -4.640 12.015 4.997 581 HB2 ASN 71 1HB ASN 71 -2.400 13.081 4.059 582 HB3 ASN 71 2HB ASN 71 -2.796 12.100 2.650 583 HD21 ASN 71 1HD2 ASN 71 -5.470 12.243 2.496 584 HD22 ASN 71 2HD2 ASN 71 -5.983 13.874 2.246 585 H ASP 72 H ASP 72 -6.285 10.898 4.203 586 HA ASP 72 HA ASP 72 -5.759 8.444 2.712 587 HB2 ASP 72 1HB ASP 72 -8.280 9.546 3.967 588 HB3 ASP 72 2HB ASP 72 -8.213 8.040 3.056 589 H LEU 73 H LEU 73 -7.148 11.619 2.307 590 HA LEU 73 HA LEU 73 -8.292 10.997 -0.277 591 HB2 LEU 73 1HB LEU 73 -8.017 13.551 1.289 592 HB3 LEU 73 2HB LEU 73 -8.725 13.481 -0.323 593 HG LEU 73 HG LEU 73 -9.794 12.082 2.129 594 HD11 LEU 73 1HD1 LEU 73 -11.687 13.710 1.792 595 HD12 LEU 73 2HD1 LEU 73 -10.625 14.592 0.695 596 HD13 LEU 73 3HD1 LEU 73 -10.179 14.402 2.390 597 HD21 LEU 73 1HD2 LEU 73 -10.916 10.805 0.702 598 HD22 LEU 73 2HD2 LEU 73 -10.252 11.681 -0.678 599 HD23 LEU 73 3HD2 LEU 73 -11.725 12.255 0.106 600 H GLN 74 H GLN 74 -5.465 10.550 -0.005 601 HA GLN 74 HA GLN 74 -4.543 12.326 -2.147 602 HB2 GLN 74 1HB GLN 74 -2.971 11.640 0.341 603 HB3 GLN 74 2HB GLN 74 -2.296 12.431 -1.077 604 HG2 GLN 74 1HG GLN 74 -4.614 13.572 0.450 605 HG3 GLN 74 2HG GLN 74 -2.936 13.911 0.874 606 HE21 GLN 74 1HE2 GLN 74 -5.099 15.664 -0.105 607 HE22 GLN 74 2HE2 GLN 74 -4.464 16.435 -1.514 608 HA PRO 75 HA PRO 75 -3.380 8.504 -4.011 609 HB2 PRO 75 1HB PRO 75 -1.697 9.484 -5.903 610 HB3 PRO 75 2HB PRO 75 -3.455 9.638 -6.008 611 HG2 PRO 75 1HG PRO 75 -1.428 11.644 -5.096 612 HG3 PRO 75 2HG PRO 75 -2.842 11.877 -6.140 613 HD2 PRO 75 1HD PRO 75 -2.845 12.537 -3.514 614 HD3 PRO 75 2HD PRO 75 -4.301 11.969 -4.357 615 H LEU 76 H LEU 76 -1.481 7.181 -4.449 616 HA LEU 76 HA LEU 76 0.377 7.207 -2.338 617 HB2 LEU 76 1HB LEU 76 0.257 5.719 -4.942 618 HB3 LEU 76 2HB LEU 76 1.587 5.500 -3.808 619 HG LEU 76 HG LEU 76 0.024 3.714 -3.509 620 HD11 LEU 76 1HD1 LEU 76 -0.466 5.635 -1.248 621 HD12 LEU 76 2HD1 LEU 76 1.074 4.813 -1.499 622 HD13 LEU 76 3HD1 LEU 76 -0.385 3.874 -1.186 623 HD21 LEU 76 1HD2 LEU 76 -2.303 4.050 -2.988 624 HD22 LEU 76 2HD2 LEU 76 -1.926 4.875 -4.501 625 HD23 LEU 76 3HD2 LEU 76 -2.094 5.801 -3.008 626 H GLN 77 H GLN 77 0.528 8.413 -5.633 627 HA GLN 77 HA GLN 77 3.294 8.872 -5.780 628 HB2 GLN 77 1HB GLN 77 2.811 10.307 -7.645 629 HB3 GLN 77 2HB GLN 77 1.711 8.936 -7.709 630 HG2 GLN 77 1HG GLN 77 -0.123 10.213 -7.097 631 HG3 GLN 77 2HG GLN 77 0.874 11.492 -6.407 632 HE21 GLN 77 1HE2 GLN 77 2.328 12.592 -8.037 633 HE22 GLN 77 2HE2 GLN 77 1.623 12.968 -9.569 634 H PHE 78 H PHE 78 0.762 10.568 -4.148 635 HA PHE 78 HA PHE 78 1.950 13.106 -3.921 636 HB2 PHE 78 1HB PHE 78 -0.410 12.686 -3.384 637 HB3 PHE 78 2HB PHE 78 0.074 11.708 -2.003 638 HD1 PHE 78 2HD PHE 78 0.099 15.132 -3.388 639 HD2 PHE 78 1HD PHE 78 0.600 12.695 0.066 640 HE1 PHE 78 2HE PHE 78 0.110 17.145 -1.974 641 HE2 PHE 78 1HE PHE 78 0.610 14.705 1.486 642 HZ PHE 78 HZ PHE 78 0.366 16.933 0.466 643 H TYR 79 H TYR 79 2.514 10.111 -2.256 644 HA TYR 79 HA TYR 79 4.193 11.433 -0.257 645 HB2 TYR 79 1HB TYR 79 3.160 8.610 -0.517 646 HB3 TYR 79 2HB TYR 79 4.361 9.074 0.683 647 HD1 TYR 79 1HD TYR 79 0.861 9.480 -0.378 648 HD2 TYR 79 2HD TYR 79 3.746 10.341 2.628 649 HE1 TYR 79 1HE TYR 79 -0.941 10.186 1.141 650 HE2 TYR 79 2HE TYR 79 1.953 11.048 4.156 651 HH TYR 79 HH TYR 79 -1.452 10.745 3.257 652 H SER 80 H SER 80 4.777 10.956 -3.225 653 HA SER 80 HA SER 80 6.597 10.516 -4.517 654 HB2 SER 80 1HB SER 80 7.777 10.844 -1.795 655 HB3 SER 80 2HB SER 80 8.806 10.197 -3.073 656 HG SER 80 HG SER 80 8.353 12.057 -4.294 657 H VAL 81 H VAL 81 4.923 8.339 -3.569 658 HA VAL 81 HA VAL 81 6.661 6.099 -3.043 659 HB VAL 81 HB VAL 81 3.708 6.240 -3.655 660 HG11 VAL 81 1HG1 VAL 81 5.447 4.016 -3.865 661 HG12 VAL 81 2HG1 VAL 81 4.456 3.787 -2.422 662 HG13 VAL 81 3HG1 VAL 81 3.688 4.047 -3.989 663 HG21 VAL 81 1HG2 VAL 81 4.945 6.998 -1.393 664 HG22 VAL 81 2HG2 VAL 81 3.331 6.287 -1.425 665 HG23 VAL 81 3HG2 VAL 81 4.731 5.280 -1.058 666 H GLU 82 H GLU 82 7.684 4.921 -4.516 667 HA GLU 82 HA GLU 82 6.638 4.884 -7.269 668 HB2 GLU 82 1HB GLU 82 8.949 4.871 -8.103 669 HB3 GLU 82 2HB GLU 82 8.597 6.333 -7.192 670 HG2 GLU 82 1HG GLU 82 9.928 5.702 -5.409 671 HG3 GLU 82 2HG GLU 82 9.882 3.996 -5.849 672 H ASN 83 H ASN 83 7.224 2.994 -8.519 673 HA ASN 83 HA ASN 83 6.686 0.593 -7.308 674 HB2 ASN 83 1HB ASN 83 6.512 0.418 -9.588 675 HB3 ASN 83 2HB ASN 83 7.965 1.370 -9.880 676 HD21 ASN 83 1HD2 ASN 83 9.318 0.166 -10.995 677 HD22 ASN 83 2HD2 ASN 83 9.740 -1.474 -10.649 678 H GLY 84 H GLY 84 7.850 -1.080 -6.428 679 HA2 GLY 84 1HA GLY 84 9.905 -2.233 -5.972 680 HA3 GLY 84 2HA GLY 84 10.757 -0.706 -6.151 681 H ASP 85 H ASP 85 8.466 0.509 -4.495 682 HA ASP 85 HA ASP 85 9.825 0.382 -1.997 683 HB2 ASP 85 1HB ASP 85 8.816 2.428 -2.219 684 HB3 ASP 85 2HB ASP 85 7.416 1.766 -3.059 685 H CYS 86 H CYS 86 8.581 -0.052 0.074 686 HA CYS 86 HA CYS 86 7.065 -2.557 -0.238 687 HB2 CYS 86 1HB CYS 86 8.923 -1.640 1.958 688 HB3 CYS 86 2HB CYS 86 7.863 -3.035 2.120 689 HG CYS 86 HG CYS 86 10.783 -2.755 0.540 690 H LEU 87 H LEU 87 5.087 -2.727 0.648 691 HA LEU 87 HA LEU 87 4.005 -0.349 1.965 692 HB2 LEU 87 1HB LEU 87 2.627 -2.758 0.790 693 HB3 LEU 87 2HB LEU 87 1.807 -1.378 1.517 694 HG LEU 87 HG LEU 87 3.546 -1.234 -0.944 695 HD11 LEU 87 1HD1 LEU 87 0.946 -2.277 -0.678 696 HD12 LEU 87 2HD1 LEU 87 1.820 -1.900 -2.162 697 HD13 LEU 87 3HD1 LEU 87 0.783 -0.683 -1.417 698 HD21 LEU 87 1HD2 LEU 87 1.577 0.788 0.095 699 HD22 LEU 87 2HD2 LEU 87 2.784 0.990 -1.175 700 HD23 LEU 87 3HD2 LEU 87 3.291 0.823 0.507 701 H LEU 88 H LEU 88 3.680 -0.302 4.084 702 HA LEU 88 HA LEU 88 3.678 -2.849 5.557 703 HB2 LEU 88 1HB LEU 88 4.264 -0.084 6.602 704 HB3 LEU 88 2HB LEU 88 4.428 -1.600 7.486 705 HG LEU 88 HG LEU 88 6.032 -1.208 5.003 706 HD11 LEU 88 1HD1 LEU 88 6.417 0.229 7.592 707 HD12 LEU 88 2HD1 LEU 88 6.633 0.809 5.941 708 HD13 LEU 88 3HD1 LEU 88 7.818 -0.286 6.652 709 HD21 LEU 88 1HD2 LEU 88 5.841 -3.295 6.596 710 HD22 LEU 88 2HD2 LEU 88 7.006 -2.385 7.559 711 HD23 LEU 88 3HD2 LEU 88 7.388 -2.823 5.893 712 H VAL 89 H VAL 89 1.647 -3.480 5.922 713 HA VAL 89 HA VAL 89 -0.443 -1.518 6.430 714 HB VAL 89 HB VAL 89 -0.595 -4.527 6.199 715 HG11 VAL 89 1HG1 VAL 89 -2.437 -2.706 7.323 716 HG12 VAL 89 2HG1 VAL 89 -3.088 -3.211 5.763 717 HG13 VAL 89 3HG1 VAL 89 -2.670 -4.420 6.978 718 HG21 VAL 89 1HG2 VAL 89 -0.021 -2.994 4.165 719 HG22 VAL 89 2HG2 VAL 89 -1.222 -4.274 3.995 720 HG23 VAL 89 3HG2 VAL 89 -1.740 -2.604 4.223 721 H ARG 90 H ARG 90 -1.066 -0.940 8.399 722 HA ARG 90 HA ARG 90 -0.687 -2.810 10.629 723 HB2 ARG 90 1HB ARG 90 0.452 -0.084 10.328 724 HB3 ARG 90 2HB ARG 90 -0.188 -0.508 11.910 725 HG2 ARG 90 1HG ARG 90 1.404 -2.118 12.277 726 HG3 ARG 90 2HG ARG 90 1.682 -2.388 10.555 727 HD2 ARG 90 1HD ARG 90 3.581 -1.234 11.075 728 HD3 ARG 90 2HD ARG 90 2.521 0.112 10.658 729 HE ARG 90 HE ARG 90 2.363 -0.500 13.427 730 HH11 ARG 90 2HH1 ARG 90 4.370 1.049 11.041 731 HH12 ARG 90 1HH1 ARG 90 5.098 2.140 12.173 732 HH21 ARG 90 2HH2 ARG 90 3.314 0.931 14.926 733 HH22 ARG 90 1HH2 ARG 90 4.498 2.072 14.383 734 H TRP 91 H TRP 91 -1.805 -1.800 12.669 735 HA TRP 91 HA TRP 91 -3.978 -0.044 12.344 736 HB2 TRP 91 1HB TRP 91 -5.859 -1.566 12.351 737 HB3 TRP 91 2HB TRP 91 -4.839 -1.926 10.961 738 HD1 TRP 91 HD TRP 91 -5.736 -3.335 14.434 739 HE1 TRP 91 1HE TRP 91 -5.222 -5.857 14.437 740 HE3 TRP 91 3HE TRP 91 -3.513 -3.717 9.846 741 HZ2 TRP 91 2HZ TRP 91 -4.032 -7.757 12.722 742 HZ3 TRP 91 3HZ TRP 91 -2.714 -5.923 9.103 743 HH2 TRP 91 HH TRP 91 -2.968 -7.899 10.513 744 H SER 92 H SER 92 -5.267 0.161 14.270 745 HA SER 92 HA SER 92 -3.983 -1.067 16.621 746 HB2 SER 92 1HB SER 92 -3.535 1.289 16.633 747 HB3 SER 92 2HB SER 92 -5.220 1.670 16.280 748 HG SER 92 HG SER 92 -4.675 0.176 18.573 749 H GLY 93 H GLY 93 -5.244 -1.951 18.209 750 HA2 GLY 93 1HA GLY 93 -8.161 -1.752 17.922 751 HA3 GLY 93 2HA GLY 93 -7.417 -3.344 17.922 752 HA PRO 94 HA PRO 94 -6.866 -1.378 22.337 753 HB2 PRO 94 1HB PRO 94 -8.619 0.613 22.914 754 HB3 PRO 94 2HB PRO 94 -7.017 0.912 22.230 755 HG2 PRO 94 1HG PRO 94 -9.674 0.804 20.854 756 HG3 PRO 94 2HG PRO 94 -8.342 1.953 20.628 757 HD2 PRO 94 1HD PRO 94 -8.782 -0.118 18.940 758 HD3 PRO 94 2HD PRO 94 -7.156 0.507 19.282 759 H SER 95 H SER 95 -7.727 -2.807 23.694 760 HA SER 95 HA SER 95 -10.634 -3.283 23.584 761 HB2 SER 95 1HB SER 95 -8.320 -5.149 23.920 762 HB3 SER 95 2HB SER 95 -9.853 -5.549 24.695 763 HG SER 95 HG SER 95 -9.617 -6.395 22.539 764 H SER 96 H SER 96 -10.144 -1.244 25.103 765 HA SER 96 HA SER 96 -10.373 -2.289 27.832 766 HB2 SER 96 1HB SER 96 -8.893 -0.625 28.741 767 HB3 SER 96 2HB SER 96 -8.032 -1.446 27.439 768 HG SER 96 HG SER 96 -8.087 1.013 27.583 769 H GLY 97 H GLY 97 -11.575 -0.959 29.267 770 HA2 GLY 97 1HA GLY 97 -12.599 1.470 29.165 771 HA3 GLY 97 2HA GLY 97 -13.507 0.724 27.859 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.675 -2.197 -21.074 2 HA2 GLY 1 1HA GLY 1 0.391 -0.529 -23.113 3 HA3 GLY 1 2HA GLY 1 -0.611 -1.682 -22.244 4 H SER 2 H SER 2 0.224 1.461 -22.351 5 HA SER 2 HA SER 2 0.552 2.038 -19.567 6 HB2 SER 2 1HB SER 2 0.037 3.721 -22.009 7 HB3 SER 2 2HB SER 2 0.012 4.427 -20.393 8 HG SER 2 HG SER 2 2.082 4.593 -21.277 9 H SER 3 H SER 3 -1.119 1.285 -18.349 10 HA SER 3 HA SER 3 -3.857 1.957 -19.114 11 HB2 SER 3 1HB SER 3 -2.606 0.020 -17.222 12 HB3 SER 3 2HB SER 3 -4.231 0.598 -16.855 13 HG SER 3 HG SER 3 -4.794 -0.920 -18.202 14 H GLY 4 H GLY 4 -4.179 4.087 -18.665 15 HA2 GLY 4 1HA GLY 4 -5.165 5.328 -16.723 16 HA3 GLY 4 2HA GLY 4 -3.671 4.942 -15.882 17 H SER 5 H SER 5 -5.274 7.264 -17.644 18 HA SER 5 HA SER 5 -3.374 8.478 -19.234 19 HB2 SER 5 1HB SER 5 -5.683 9.538 -17.639 20 HB3 SER 5 2HB SER 5 -4.607 10.661 -18.471 21 HG SER 5 HG SER 5 -5.484 10.110 -20.297 22 H SER 6 H SER 6 -4.103 9.391 -15.861 23 HA SER 6 HA SER 6 -1.335 10.379 -15.638 24 HB2 SER 6 1HB SER 6 -3.903 11.344 -14.396 25 HB3 SER 6 2HB SER 6 -2.338 11.751 -13.693 26 HG SER 6 HG SER 6 -1.785 12.582 -15.820 27 H GLY 7 H GLY 7 -0.635 8.233 -15.072 28 HA2 GLY 7 1HA GLY 7 0.084 7.655 -12.616 29 HA3 GLY 7 2HA GLY 7 -1.609 7.197 -12.510 30 H GLN 8 H GLN 8 0.682 5.491 -12.152 31 HA GLN 8 HA GLN 8 0.027 3.494 -14.187 32 HB2 GLN 8 1HB GLN 8 2.365 2.890 -14.499 33 HB3 GLN 8 2HB GLN 8 2.107 4.576 -14.929 34 HG2 GLN 8 1HG GLN 8 2.838 4.975 -12.433 35 HG3 GLN 8 2HG GLN 8 3.610 3.405 -12.652 36 HE21 GLN 8 1HE2 GLN 8 3.270 6.540 -14.271 37 HE22 GLN 8 2HE2 GLN 8 4.897 6.615 -14.845 38 H LEU 9 H LEU 9 0.780 1.295 -13.555 39 HA LEU 9 HA LEU 9 0.134 0.832 -10.786 40 HB2 LEU 9 1HB LEU 9 0.471 -0.809 -13.222 41 HB3 LEU 9 2HB LEU 9 0.778 -1.610 -11.683 42 HG LEU 9 HG LEU 9 -1.596 -0.535 -11.113 43 HD11 LEU 9 1HD1 LEU 9 -2.925 -1.068 -13.325 44 HD12 LEU 9 2HD1 LEU 9 -1.408 -0.578 -14.079 45 HD13 LEU 9 3HD1 LEU 9 -2.263 0.537 -13.013 46 HD21 LEU 9 1HD2 LEU 9 -2.589 -2.712 -11.884 47 HD22 LEU 9 2HD2 LEU 9 -1.163 -2.856 -10.855 48 HD23 LEU 9 3HD2 LEU 9 -1.021 -3.090 -12.598 49 H LEU 10 H LEU 10 1.503 0.458 -9.161 50 HA LEU 10 HA LEU 10 4.360 0.190 -9.808 51 HB2 LEU 10 1HB LEU 10 3.454 0.876 -7.068 52 HB3 LEU 10 2HB LEU 10 4.889 1.399 -7.947 53 HG LEU 10 HG LEU 10 2.084 2.466 -8.209 54 HD11 LEU 10 1HD1 LEU 10 3.353 3.304 -6.305 55 HD12 LEU 10 2HD1 LEU 10 3.122 4.564 -7.517 56 HD13 LEU 10 3HD1 LEU 10 4.681 3.752 -7.376 57 HD21 LEU 10 1HD2 LEU 10 3.460 2.170 -10.384 58 HD22 LEU 10 2HD2 LEU 10 4.427 3.504 -9.755 59 HD23 LEU 10 3HD2 LEU 10 2.702 3.728 -10.051 60 H THR 11 H THR 11 5.589 -1.418 -8.896 61 HA THR 11 HA THR 11 4.092 -3.676 -7.815 62 HB THR 11 HB THR 11 6.989 -3.519 -8.672 63 HG1 THR 11 1HG THR 11 6.305 -4.190 -10.606 64 HG21 THR 11 1HG2 THR 11 6.107 -5.323 -6.968 65 HG22 THR 11 2HG2 THR 11 7.184 -5.780 -8.289 66 HG23 THR 11 3HG2 THR 11 5.449 -6.062 -8.427 67 H LEU 12 H LEU 12 3.794 -3.594 -5.675 68 HA LEU 12 HA LEU 12 6.156 -3.126 -3.984 69 HB2 LEU 12 1HB LEU 12 3.364 -2.250 -3.278 70 HB3 LEU 12 2HB LEU 12 4.850 -1.915 -2.392 71 HG LEU 12 HG LEU 12 4.329 -0.857 -5.161 72 HD11 LEU 12 1HD1 LEU 12 2.570 0.021 -3.810 73 HD12 LEU 12 2HD1 LEU 12 3.784 1.285 -4.002 74 HD13 LEU 12 3HD1 LEU 12 3.686 0.380 -2.492 75 HD21 LEU 12 1HD2 LEU 12 6.366 -0.369 -3.021 76 HD22 LEU 12 2HD2 LEU 12 5.999 0.874 -4.217 77 HD23 LEU 12 3HD2 LEU 12 6.606 -0.699 -4.737 78 H LYS 13 H LYS 13 6.196 -4.258 -1.997 79 HA LYS 13 HA LYS 13 4.552 -6.688 -2.030 80 HB2 LYS 13 1HB LYS 13 7.279 -6.022 -1.047 81 HB3 LYS 13 2HB LYS 13 6.381 -7.247 -0.161 82 HG2 LYS 13 1HG LYS 13 6.048 -8.449 -2.328 83 HG3 LYS 13 2HG LYS 13 7.152 -7.288 -3.068 84 HD2 LYS 13 1HD LYS 13 7.852 -9.018 -0.699 85 HD3 LYS 13 2HD LYS 13 8.226 -9.434 -2.373 86 HE2 LYS 13 1HE LYS 13 9.312 -7.040 -2.381 87 HE3 LYS 13 2HE LYS 13 9.373 -7.298 -0.638 88 HZ1 LYS 13 1HZ LYS 13 10.297 -9.599 -1.997 89 HZ2 LYS 13 2HZ LYS 13 11.116 -8.618 -0.889 90 HZ3 LYS 13 3HZ LYS 13 11.149 -8.241 -2.537 91 H ILE 14 H ILE 14 2.900 -6.828 -0.675 92 HA ILE 14 HA ILE 14 2.559 -4.921 1.456 93 HB ILE 14 HB ILE 14 0.877 -7.206 0.454 94 HG12 ILE 14 1HG1 ILE 14 -0.702 -5.083 0.275 95 HG13 ILE 14 2HG1 ILE 14 0.834 -4.225 0.276 96 HG21 ILE 14 1HG2 ILE 14 0.764 -5.826 3.040 97 HG22 ILE 14 2HG2 ILE 14 -0.765 -5.887 2.165 98 HG23 ILE 14 3HG2 ILE 14 0.091 -7.380 2.551 99 HD11 ILE 14 1HD1 ILE 14 -0.398 -5.156 -1.934 100 HD12 ILE 14 2HD1 ILE 14 1.340 -4.879 -1.805 101 HD13 ILE 14 3HD1 ILE 14 0.685 -6.499 -1.569 102 H LYS 15 H LYS 15 3.213 -5.162 3.480 103 HA LYS 15 HA LYS 15 3.523 -7.877 4.565 104 HB2 LYS 15 1HB LYS 15 5.741 -6.992 3.925 105 HB3 LYS 15 2HB LYS 15 5.474 -5.601 4.967 106 HG2 LYS 15 1HG LYS 15 5.333 -7.120 6.906 107 HG3 LYS 15 2HG LYS 15 5.700 -8.476 5.837 108 HD2 LYS 15 1HD LYS 15 7.875 -7.716 5.431 109 HD3 LYS 15 2HD LYS 15 7.509 -6.087 6.003 110 HE2 LYS 15 1HE LYS 15 7.461 -8.510 7.788 111 HE3 LYS 15 2HE LYS 15 8.899 -7.518 7.551 112 HZ1 LYS 15 1HZ LYS 15 7.284 -7.044 9.515 113 HZ2 LYS 15 2HZ LYS 15 6.386 -6.220 8.341 114 HZ3 LYS 15 3HZ LYS 15 7.981 -5.759 8.664 115 H CYS 16 H CYS 16 2.611 -8.165 6.504 116 HA CYS 16 HA CYS 16 1.359 -5.878 7.791 117 HB2 CYS 16 1HB CYS 16 1.032 -8.838 7.920 118 HB3 CYS 16 2HB CYS 16 0.560 -7.899 9.331 119 HG CYS 16 HG CYS 16 -1.018 -6.182 7.447 120 H SER 17 H SER 17 2.863 -4.756 8.926 121 HA SER 17 HA SER 17 5.098 -5.612 10.227 122 HB2 SER 17 1HB SER 17 3.178 -3.446 11.114 123 HB3 SER 17 2HB SER 17 4.811 -3.653 11.749 124 HG SER 17 HG SER 17 4.461 -3.474 8.978 125 H ASN 18 H ASN 18 1.958 -5.133 11.858 126 HA ASN 18 HA ASN 18 2.635 -6.252 14.299 127 HB2 ASN 18 1HB ASN 18 0.477 -5.015 13.559 128 HB3 ASN 18 2HB ASN 18 -0.108 -6.619 13.125 129 HD21 ASN 18 1HD2 ASN 18 -0.927 -4.667 15.214 130 HD22 ASN 18 2HD2 ASN 18 -0.899 -5.561 16.693 131 H GLN 19 H GLN 19 2.086 -7.794 11.278 132 HA GLN 19 HA GLN 19 2.059 -10.425 12.603 133 HB2 GLN 19 1HB GLN 19 1.095 -9.761 9.817 134 HB3 GLN 19 2HB GLN 19 0.970 -11.318 10.625 135 HG2 GLN 19 1HG GLN 19 -0.278 -8.934 11.894 136 HG3 GLN 19 2HG GLN 19 -1.070 -9.684 10.510 137 HE21 GLN 19 1HE2 GLN 19 -2.206 -9.565 13.049 138 HE22 GLN 19 2HE2 GLN 19 -2.335 -11.171 13.674 139 HA PRO 20 HA PRO 20 6.193 -10.154 10.635 140 HB2 PRO 20 1HB PRO 20 7.412 -11.696 12.508 141 HB3 PRO 20 2HB PRO 20 7.153 -9.960 12.713 142 HG2 PRO 20 1HG PRO 20 5.569 -12.253 13.805 143 HG3 PRO 20 2HG PRO 20 6.075 -10.758 14.613 144 HD2 PRO 20 1HD PRO 20 3.574 -11.113 13.638 145 HD3 PRO 20 2HD PRO 20 4.368 -9.525 13.676 146 H GLU 21 H GLU 21 4.201 -12.820 11.681 147 HA GLU 21 HA GLU 21 5.760 -14.797 10.249 148 HB2 GLU 21 1HB GLU 21 4.021 -16.376 10.986 149 HB3 GLU 21 2HB GLU 21 4.677 -15.449 12.328 150 HG2 GLU 21 1HG GLU 21 2.707 -13.940 12.165 151 HG3 GLU 21 2HG GLU 21 2.037 -15.027 10.950 152 H ARG 22 H ARG 22 2.978 -12.794 9.718 153 HA ARG 22 HA ARG 22 1.699 -14.204 7.676 154 HB2 ARG 22 1HB ARG 22 1.842 -11.330 8.471 155 HB3 ARG 22 2HB ARG 22 1.128 -11.733 6.916 156 HG2 ARG 22 1HG ARG 22 0.194 -13.229 9.302 157 HG3 ARG 22 2HG ARG 22 -0.319 -11.550 9.113 158 HD2 ARG 22 1HD ARG 22 -1.998 -12.579 7.967 159 HD3 ARG 22 2HD ARG 22 -0.842 -12.372 6.653 160 HE ARG 22 HE ARG 22 -0.186 -14.795 7.589 161 HH11 ARG 22 2HH1 ARG 22 -3.257 -13.384 6.754 162 HH12 ARG 22 1HH1 ARG 22 -3.969 -14.891 6.282 163 HH21 ARG 22 2HH2 ARG 22 -1.112 -16.786 6.971 164 HH22 ARG 22 1HH2 ARG 22 -2.749 -16.826 6.407 165 H GLN 23 H GLN 23 2.678 -14.979 5.923 166 HA GLN 23 HA GLN 23 5.056 -14.194 4.799 167 HB2 GLN 23 1HB GLN 23 4.451 -15.449 2.857 168 HB3 GLN 23 2HB GLN 23 3.750 -16.264 4.248 169 HG2 GLN 23 1HG GLN 23 1.644 -14.846 3.658 170 HG3 GLN 23 2HG GLN 23 2.408 -14.734 2.074 171 HE21 GLN 23 1HE2 GLN 23 0.064 -16.268 3.492 172 HE22 GLN 23 2HE2 GLN 23 0.188 -17.843 2.793 173 H ILE 24 H ILE 24 5.567 -13.039 2.843 174 HA ILE 24 HA ILE 24 4.058 -10.570 2.638 175 HB ILE 24 HB ILE 24 6.620 -11.403 1.273 176 HG12 ILE 24 1HG1 ILE 24 7.373 -9.472 2.962 177 HG13 ILE 24 2HG1 ILE 24 5.987 -10.079 3.863 178 HG21 ILE 24 1HG2 ILE 24 4.894 -9.036 1.030 179 HG22 ILE 24 2HG2 ILE 24 6.612 -8.698 1.236 180 HG23 ILE 24 3HG2 ILE 24 6.067 -9.709 -0.102 181 HD11 ILE 24 1HD1 ILE 24 6.953 -12.294 3.909 182 HD12 ILE 24 2HD1 ILE 24 8.312 -11.743 2.929 183 HD13 ILE 24 3HD1 ILE 24 8.090 -11.114 4.561 184 H LEU 25 H LEU 25 2.937 -9.863 0.880 185 HA LEU 25 HA LEU 25 2.621 -11.783 -1.333 186 HB2 LEU 25 1HB LEU 25 0.528 -9.756 -0.771 187 HB3 LEU 25 2HB LEU 25 0.375 -11.389 -1.416 188 HG LEU 25 HG LEU 25 -0.681 -11.430 0.684 189 HD11 LEU 25 1HD1 LEU 25 0.307 -13.283 1.441 190 HD12 LEU 25 2HD1 LEU 25 1.822 -12.447 1.779 191 HD13 LEU 25 3HD1 LEU 25 1.481 -13.029 0.150 192 HD21 LEU 25 1HD2 LEU 25 0.833 -9.275 1.319 193 HD22 LEU 25 2HD2 LEU 25 1.596 -10.522 2.306 194 HD23 LEU 25 3HD2 LEU 25 -0.129 -10.193 2.478 195 H GLU 26 H GLU 26 2.071 -10.839 -3.434 196 HA GLU 26 HA GLU 26 3.282 -8.173 -3.776 197 HB2 GLU 26 1HB GLU 26 3.609 -10.709 -5.293 198 HB3 GLU 26 2HB GLU 26 3.603 -9.214 -6.218 199 HG2 GLU 26 1HG GLU 26 5.822 -9.368 -5.806 200 HG3 GLU 26 2HG GLU 26 5.337 -8.485 -4.359 201 H LYS 27 H LYS 27 2.146 -6.659 -4.839 202 HA LYS 27 HA LYS 27 -0.026 -7.364 -6.610 203 HB2 LYS 27 1HB LYS 27 -1.211 -7.478 -4.519 204 HB3 LYS 27 2HB LYS 27 -0.525 -5.948 -3.989 205 HG2 LYS 27 1HG LYS 27 -2.567 -5.217 -4.644 206 HG3 LYS 27 2HG LYS 27 -1.721 -5.076 -6.186 207 HD2 LYS 27 1HD LYS 27 -3.564 -6.228 -6.881 208 HD3 LYS 27 2HD LYS 27 -2.533 -7.589 -6.434 209 HE2 LYS 27 1HE LYS 27 -4.268 -6.398 -4.336 210 HE3 LYS 27 2HE LYS 27 -5.035 -7.380 -5.583 211 HZ1 LYS 27 1HZ LYS 27 -3.170 -8.173 -3.477 212 HZ2 LYS 27 2HZ LYS 27 -3.071 -8.993 -4.953 213 HZ3 LYS 27 3HZ LYS 27 -4.523 -8.987 -4.085 214 H GLN 28 H GLN 28 -0.375 -5.823 -8.126 215 HA GLN 28 HA GLN 28 1.241 -3.383 -7.910 216 HB2 GLN 28 1HB GLN 28 0.152 -4.917 -10.259 217 HB3 GLN 28 2HB GLN 28 0.742 -3.270 -10.430 218 HG2 GLN 28 1HG GLN 28 2.898 -4.112 -9.365 219 HG3 GLN 28 2HG GLN 28 2.272 -5.731 -9.671 220 HE21 GLN 28 1HE2 GLN 28 2.937 -6.607 -11.484 221 HE22 GLN 28 2HE2 GLN 28 3.391 -5.764 -12.923 222 H LEU 29 H LEU 29 0.257 -1.530 -7.486 223 HA LEU 29 HA LEU 29 -2.570 -1.226 -8.259 224 HB2 LEU 29 1HB LEU 29 -1.216 -0.096 -5.813 225 HB3 LEU 29 2HB LEU 29 -2.898 0.157 -6.276 226 HG LEU 29 HG LEU 29 -2.893 -1.438 -4.526 227 HD11 LEU 29 1HD1 LEU 29 -3.825 -3.426 -5.609 228 HD12 LEU 29 2HD1 LEU 29 -3.184 -2.879 -7.158 229 HD13 LEU 29 3HD1 LEU 29 -4.431 -1.939 -6.339 230 HD21 LEU 29 1HD2 LEU 29 -1.022 -3.211 -6.066 231 HD22 LEU 29 2HD2 LEU 29 -1.506 -3.322 -4.374 232 HD23 LEU 29 3HD2 LEU 29 -0.437 -2.021 -4.903 233 HA PRO 30 HA PRO 30 -1.320 2.355 -10.488 234 HB2 PRO 30 1HB PRO 30 -3.676 3.703 -10.520 235 HB3 PRO 30 2HB PRO 30 -3.380 2.263 -11.501 236 HG2 PRO 30 1HG PRO 30 -4.821 2.511 -8.889 237 HG3 PRO 30 2HG PRO 30 -5.264 1.572 -10.327 238 HD2 PRO 30 1HD PRO 30 -4.099 0.449 -8.156 239 HD3 PRO 30 2HD PRO 30 -3.820 -0.146 -9.805 240 H ASP 31 H ASP 31 -0.046 3.872 -9.641 241 HA ASP 31 HA ASP 31 0.044 4.896 -7.145 242 HB2 ASP 31 1HB ASP 31 1.088 6.951 -8.133 243 HB3 ASP 31 2HB ASP 31 1.764 5.439 -8.733 244 H SER 32 H SER 32 -2.315 5.638 -9.558 245 HA SER 32 HA SER 32 -3.244 8.102 -8.545 246 HB2 SER 32 1HB SER 32 -3.795 7.233 -10.806 247 HB3 SER 32 2HB SER 32 -4.812 6.001 -10.060 248 HG SER 32 HG SER 32 -6.010 7.779 -9.119 249 H MET 33 H MET 33 -4.270 4.757 -7.955 250 HA MET 33 HA MET 33 -6.492 5.015 -6.453 251 HB2 MET 33 1HB MET 33 -4.907 2.949 -6.938 252 HB3 MET 33 2HB MET 33 -4.351 3.282 -5.304 253 HG2 MET 33 1HG MET 33 -6.319 2.656 -4.352 254 HG3 MET 33 2HG MET 33 -7.274 3.111 -5.761 255 HE1 MET 33 1HE MET 33 -5.642 0.730 -3.713 256 HE2 MET 33 2HE MET 33 -6.009 -0.850 -4.405 257 HE3 MET 33 3HE MET 33 -4.515 -0.020 -4.844 258 H THR 34 H THR 34 -7.076 6.152 -4.734 259 HA THR 34 HA THR 34 -5.195 7.674 -3.227 260 HB THR 34 HB THR 34 -7.207 8.251 -1.806 261 HG1 THR 34 1HG THR 34 -8.625 6.620 -2.045 262 HG21 THR 34 1HG2 THR 34 -7.656 9.913 -3.247 263 HG22 THR 34 2HG2 THR 34 -8.161 8.797 -4.516 264 HG23 THR 34 3HG2 THR 34 -6.449 9.153 -4.284 265 H VAL 35 H VAL 35 -4.496 7.426 -1.133 266 HA VAL 35 HA VAL 35 -3.874 4.993 -0.116 267 HB VAL 35 HB VAL 35 -4.469 7.537 1.386 268 HG11 VAL 35 1HG1 VAL 35 -3.647 4.855 2.397 269 HG12 VAL 35 2HG1 VAL 35 -2.987 6.302 3.162 270 HG13 VAL 35 3HG1 VAL 35 -4.732 6.046 3.114 271 HG21 VAL 35 1HG2 VAL 35 -2.544 7.418 -0.235 272 HG22 VAL 35 2HG2 VAL 35 -2.114 7.844 1.422 273 HG23 VAL 35 3HG2 VAL 35 -1.825 6.208 0.828 274 H GLN 36 H GLN 36 -6.956 6.595 0.087 275 HA GLN 36 HA GLN 36 -8.063 5.036 2.179 276 HB2 GLN 36 1HB GLN 36 -8.879 7.275 1.070 277 HB3 GLN 36 2HB GLN 36 -9.761 6.190 0.004 278 HG2 GLN 36 1HG GLN 36 -10.895 5.203 1.905 279 HG3 GLN 36 2HG GLN 36 -9.974 6.227 3.006 280 HE21 GLN 36 1HE2 GLN 36 -12.915 5.883 1.957 281 HE22 GLN 36 2HE2 GLN 36 -13.435 7.523 1.801 282 H LYS 37 H LYS 37 -8.059 4.717 -1.341 283 HA LYS 37 HA LYS 37 -9.817 2.526 -1.507 284 HB2 LYS 37 1HB LYS 37 -7.761 3.738 -3.293 285 HB3 LYS 37 2HB LYS 37 -8.346 2.127 -3.686 286 HG2 LYS 37 1HG LYS 37 -10.345 4.250 -3.116 287 HG3 LYS 37 2HG LYS 37 -9.489 4.286 -4.659 288 HD2 LYS 37 1HD LYS 37 -11.388 3.020 -5.125 289 HD3 LYS 37 2HD LYS 37 -10.149 1.798 -4.832 290 HE2 LYS 37 1HE LYS 37 -11.021 1.229 -2.761 291 HE3 LYS 37 2HE LYS 37 -11.868 2.765 -2.583 292 HZ1 LYS 37 1HZ LYS 37 -13.632 1.523 -3.162 293 HZ2 LYS 37 2HZ LYS 37 -12.704 0.334 -3.927 294 HZ3 LYS 37 3HZ LYS 37 -13.073 1.771 -4.740 295 H VAL 38 H VAL 38 -6.302 2.708 -1.155 296 HA VAL 38 HA VAL 38 -5.744 -0.028 -1.423 297 HB VAL 38 HB VAL 38 -4.250 1.974 0.276 298 HG11 VAL 38 1HG1 VAL 38 -3.717 -0.437 0.647 299 HG12 VAL 38 2HG1 VAL 38 -3.235 -0.535 -1.048 300 HG13 VAL 38 3HG1 VAL 38 -2.361 0.525 0.058 301 HG21 VAL 38 1HG2 VAL 38 -4.692 2.513 -2.212 302 HG22 VAL 38 2HG2 VAL 38 -3.044 2.638 -1.597 303 HG23 VAL 38 3HG2 VAL 38 -3.531 1.225 -2.533 304 H LYS 39 H LYS 39 -6.482 1.923 1.446 305 HA LYS 39 HA LYS 39 -6.202 -0.221 3.293 306 HB2 LYS 39 1HB LYS 39 -7.504 2.491 3.453 307 HB3 LYS 39 2HB LYS 39 -7.548 1.359 4.799 308 HG2 LYS 39 1HG LYS 39 -5.246 1.480 5.135 309 HG3 LYS 39 2HG LYS 39 -4.954 2.156 3.530 310 HD2 LYS 39 1HD LYS 39 -5.964 4.246 4.174 311 HD3 LYS 39 2HD LYS 39 -6.447 3.576 5.734 312 HE2 LYS 39 1HE LYS 39 -3.906 3.126 6.031 313 HE3 LYS 39 2HE LYS 39 -3.721 4.328 4.754 314 HZ1 LYS 39 1HZ LYS 39 -4.223 4.737 7.494 315 HZ2 LYS 39 2HZ LYS 39 -5.517 5.365 6.604 316 HZ3 LYS 39 3HZ LYS 39 -3.940 5.889 6.288 317 H GLY 40 H GLY 40 -8.810 0.952 1.301 318 HA2 GLY 40 1HA GLY 40 -10.868 -0.489 2.712 319 HA3 GLY 40 2HA GLY 40 -11.041 0.341 1.173 320 H LEU 41 H LEU 41 -8.537 -1.303 0.354 321 HA LEU 41 HA LEU 41 -10.036 -3.405 -0.901 322 HB2 LEU 41 1HB LEU 41 -8.360 -2.465 -2.236 323 HB3 LEU 41 2HB LEU 41 -7.163 -2.552 -0.945 324 HG LEU 41 HG LEU 41 -7.464 -5.134 -1.239 325 HD11 LEU 41 1HD1 LEU 41 -8.251 -4.157 -3.978 326 HD12 LEU 41 2HD1 LEU 41 -9.363 -4.885 -2.819 327 HD13 LEU 41 3HD1 LEU 41 -8.021 -5.829 -3.465 328 HD21 LEU 41 1HD2 LEU 41 -5.740 -5.029 -3.107 329 HD22 LEU 41 2HD2 LEU 41 -5.359 -4.162 -1.619 330 HD23 LEU 41 3HD2 LEU 41 -5.929 -3.277 -3.034 331 H LEU 42 H LEU 42 -7.499 -3.230 1.568 332 HA LEU 42 HA LEU 42 -7.633 -6.100 2.007 333 HB2 LEU 42 1HB LEU 42 -6.002 -3.954 3.355 334 HB3 LEU 42 2HB LEU 42 -5.868 -5.680 3.682 335 HG LEU 42 HG LEU 42 -5.357 -4.512 0.957 336 HD11 LEU 42 1HD1 LEU 42 -2.939 -4.700 1.567 337 HD12 LEU 42 2HD1 LEU 42 -3.439 -4.891 3.247 338 HD13 LEU 42 3HD1 LEU 42 -3.807 -3.399 2.382 339 HD21 LEU 42 1HD2 LEU 42 -4.254 -7.029 2.166 340 HD22 LEU 42 2HD2 LEU 42 -4.350 -6.569 0.466 341 HD23 LEU 42 3HD2 LEU 42 -5.817 -6.995 1.348 342 H SER 43 H SER 43 -9.054 -3.249 3.228 343 HA SER 43 HA SER 43 -9.489 -3.817 5.902 344 HB2 SER 43 1HB SER 43 -10.250 -1.715 5.387 345 HB3 SER 43 2HB SER 43 -10.928 -2.222 3.840 346 HG SER 43 HG SER 43 -12.044 -3.044 6.303 347 H ARG 44 H ARG 44 -11.349 -4.864 3.074 348 HA ARG 44 HA ARG 44 -13.314 -6.268 4.592 349 HB2 ARG 44 1HB ARG 44 -12.563 -6.190 1.685 350 HB3 ARG 44 2HB ARG 44 -13.731 -7.363 2.276 351 HG2 ARG 44 1HG ARG 44 -14.115 -4.494 2.962 352 HG3 ARG 44 2HG ARG 44 -14.497 -5.045 1.329 353 HD2 ARG 44 1HD ARG 44 -15.788 -6.936 2.598 354 HD3 ARG 44 2HD ARG 44 -15.759 -5.783 3.932 355 HE ARG 44 HE ARG 44 -16.685 -4.301 1.877 356 HH11 ARG 44 2HH1 ARG 44 -17.615 -7.390 3.185 357 HH12 ARG 44 1HH1 ARG 44 -19.282 -7.221 2.746 358 HH21 ARG 44 2HH2 ARG 44 -18.878 -4.067 1.293 359 HH22 ARG 44 1HH2 ARG 44 -19.999 -5.331 1.669 360 H LEU 45 H LEU 45 -10.136 -6.998 3.509 361 HA LEU 45 HA LEU 45 -10.432 -9.859 3.573 362 HB2 LEU 45 1HB LEU 45 -8.208 -7.937 3.157 363 HB3 LEU 45 2HB LEU 45 -7.794 -9.569 3.679 364 HG LEU 45 HG LEU 45 -9.419 -8.954 1.215 365 HD11 LEU 45 1HD1 LEU 45 -7.017 -9.915 0.349 366 HD12 LEU 45 2HD1 LEU 45 -6.535 -8.874 1.688 367 HD13 LEU 45 3HD1 LEU 45 -7.489 -8.215 0.359 368 HD21 LEU 45 1HD2 LEU 45 -9.450 -11.181 0.798 369 HD22 LEU 45 2HD2 LEU 45 -9.354 -11.261 2.557 370 HD23 LEU 45 3HD2 LEU 45 -7.897 -11.464 1.583 371 H LEU 46 H LEU 46 -8.422 -7.650 5.530 372 HA LEU 46 HA LEU 46 -8.192 -9.593 7.636 373 HB2 LEU 46 1HB LEU 46 -7.368 -6.694 7.533 374 HB3 LEU 46 2HB LEU 46 -6.932 -7.834 8.805 375 HG LEU 46 HG LEU 46 -6.157 -8.342 5.953 376 HD11 LEU 46 1HD1 LEU 46 -4.776 -6.610 5.930 377 HD12 LEU 46 2HD1 LEU 46 -3.951 -7.276 7.340 378 HD13 LEU 46 3HD1 LEU 46 -5.285 -6.141 7.553 379 HD21 LEU 46 1HD2 LEU 46 -4.191 -9.368 7.323 380 HD22 LEU 46 2HD2 LEU 46 -5.723 -10.232 7.198 381 HD23 LEU 46 3HD2 LEU 46 -5.344 -9.315 8.657 382 H LYS 47 H LYS 47 -10.762 -7.942 6.767 383 HA LYS 47 HA LYS 47 -12.627 -7.106 7.775 384 HB2 LYS 47 1HB LYS 47 -11.676 -8.862 10.046 385 HB3 LYS 47 2HB LYS 47 -13.305 -8.228 9.852 386 HG2 LYS 47 1HG LYS 47 -13.602 -10.315 9.005 387 HG3 LYS 47 2HG LYS 47 -13.138 -9.465 7.529 388 HD2 LYS 47 1HD LYS 47 -11.761 -11.305 7.429 389 HD3 LYS 47 2HD LYS 47 -10.716 -10.150 8.260 390 HE2 LYS 47 1HE LYS 47 -11.529 -11.122 10.425 391 HE3 LYS 47 2HE LYS 47 -12.338 -12.375 9.485 392 HZ1 LYS 47 1HZ LYS 47 -10.377 -13.409 9.886 393 HZ2 LYS 47 2HZ LYS 47 -9.488 -11.974 9.983 394 HZ3 LYS 47 3HZ LYS 47 -9.930 -12.594 8.472 395 H VAL 48 H VAL 48 -10.312 -5.477 8.005 396 HA VAL 48 HA VAL 48 -10.712 -4.244 10.652 397 HB VAL 48 HB VAL 48 -8.326 -4.048 8.810 398 HG11 VAL 48 1HG1 VAL 48 -8.471 -2.937 11.589 399 HG12 VAL 48 2HG1 VAL 48 -7.326 -2.562 10.300 400 HG13 VAL 48 3HG1 VAL 48 -8.990 -1.985 10.198 401 HG21 VAL 48 1HG2 VAL 48 -8.986 -6.052 10.579 402 HG22 VAL 48 2HG2 VAL 48 -7.366 -5.691 9.984 403 HG23 VAL 48 3HG2 VAL 48 -7.909 -5.021 11.522 404 HA PRO 49 HA PRO 49 -12.574 -0.804 8.612 405 HB2 PRO 49 1HB PRO 49 -12.302 1.023 10.602 406 HB3 PRO 49 2HB PRO 49 -13.486 -0.289 10.657 407 HG2 PRO 49 1HG PRO 49 -10.796 -0.110 11.958 408 HG3 PRO 49 2HG PRO 49 -12.325 -0.708 12.628 409 HD2 PRO 49 1HD PRO 49 -10.390 -2.364 11.709 410 HD3 PRO 49 2HD PRO 49 -12.117 -2.761 11.601 411 H VAL 50 H VAL 50 -11.802 0.605 7.171 412 HA VAL 50 HA VAL 50 -9.135 1.101 6.704 413 HB VAL 50 HB VAL 50 -11.586 2.666 5.944 414 HG11 VAL 50 1HG1 VAL 50 -8.717 3.285 5.273 415 HG12 VAL 50 2HG1 VAL 50 -10.089 3.901 4.348 416 HG13 VAL 50 3HG1 VAL 50 -9.900 4.340 6.046 417 HG21 VAL 50 1HG2 VAL 50 -11.543 1.494 4.011 418 HG22 VAL 50 2HG2 VAL 50 -9.781 1.441 3.953 419 HG23 VAL 50 3HG2 VAL 50 -10.663 0.327 4.998 420 H SER 51 H SER 51 -11.219 2.579 9.020 421 HA SER 51 HA SER 51 -9.777 4.996 9.393 422 HB2 SER 51 1HB SER 51 -11.828 3.495 10.988 423 HB3 SER 51 2HB SER 51 -10.984 4.864 11.712 424 HG SER 51 HG SER 51 -12.978 4.843 9.872 425 H GLU 52 H GLU 52 -9.679 1.831 10.978 426 HA GLU 52 HA GLU 52 -7.568 2.663 12.773 427 HB2 GLU 52 1HB GLU 52 -8.824 -0.044 12.285 428 HB3 GLU 52 2HB GLU 52 -7.627 0.294 13.528 429 HG2 GLU 52 1HG GLU 52 -10.174 1.852 13.417 430 HG3 GLU 52 2HG GLU 52 -10.130 0.250 14.152 431 H LEU 53 H LEU 53 -7.824 1.330 9.639 432 HA LEU 53 HA LEU 53 -5.336 -0.072 9.592 433 HB2 LEU 53 1HB LEU 53 -7.318 0.821 7.550 434 HB3 LEU 53 2HB LEU 53 -5.720 0.298 7.024 435 HG LEU 53 HG LEU 53 -7.618 -1.394 8.647 436 HD11 LEU 53 1HD1 LEU 53 -7.113 -2.282 5.949 437 HD12 LEU 53 2HD1 LEU 53 -7.855 -0.683 5.968 438 HD13 LEU 53 3HD1 LEU 53 -8.646 -2.031 6.785 439 HD21 LEU 53 1HD2 LEU 53 -5.977 -3.141 7.531 440 HD22 LEU 53 2HD2 LEU 53 -5.587 -2.349 9.058 441 HD23 LEU 53 3HD2 LEU 53 -4.879 -1.760 7.553 442 H LEU 54 H LEU 54 -3.375 0.784 9.546 443 HA LEU 54 HA LEU 54 -3.046 3.494 8.437 444 HB2 LEU 54 1HB LEU 54 -1.212 2.317 10.490 445 HB3 LEU 54 2HB LEU 54 -1.452 4.009 10.060 446 HG LEU 54 HG LEU 54 -3.482 2.319 11.516 447 HD11 LEU 54 1HD1 LEU 54 -1.832 4.482 12.762 448 HD12 LEU 54 2HD1 LEU 54 -1.243 2.822 12.692 449 HD13 LEU 54 3HD1 LEU 54 -2.748 3.189 13.536 450 HD21 LEU 54 1HD2 LEU 54 -4.399 4.601 12.066 451 HD22 LEU 54 2HD2 LEU 54 -4.571 4.094 10.385 452 HD23 LEU 54 3HD2 LEU 54 -3.312 5.245 10.836 453 H LEU 55 H LEU 55 -2.086 3.361 6.521 454 HA LEU 55 HA LEU 55 -0.254 1.181 5.933 455 HB2 LEU 55 1HB LEU 55 -1.788 3.164 4.377 456 HB3 LEU 55 2HB LEU 55 -0.236 2.681 3.695 457 HG LEU 55 HG LEU 55 -2.081 1.381 2.762 458 HD11 LEU 55 1HD1 LEU 55 0.179 0.391 3.044 459 HD12 LEU 55 2HD1 LEU 55 -1.123 -0.798 3.044 460 HD13 LEU 55 3HD1 LEU 55 -0.366 -0.321 4.563 461 HD21 LEU 55 1HD2 LEU 55 -3.758 0.621 4.000 462 HD22 LEU 55 2HD2 LEU 55 -3.021 1.386 5.408 463 HD23 LEU 55 3HD2 LEU 55 -2.647 -0.294 5.019 464 H SER 56 H SER 56 1.906 1.392 5.513 465 HA SER 56 HA SER 56 3.119 4.045 5.571 466 HB2 SER 56 1HB SER 56 4.860 3.057 7.229 467 HB3 SER 56 2HB SER 56 3.314 3.620 7.865 468 HG SER 56 HG SER 56 4.375 1.199 8.053 469 H TYR 57 H TYR 57 4.487 4.160 3.932 470 HA TYR 57 HA TYR 57 5.633 1.684 2.857 471 HB2 TYR 57 1HB TYR 57 5.689 2.679 0.784 472 HB3 TYR 57 2HB TYR 57 4.316 3.525 1.491 473 HD1 TYR 57 1HD TYR 57 4.739 5.814 2.537 474 HD2 TYR 57 2HD TYR 57 7.553 3.868 0.007 475 HE1 TYR 57 1HE TYR 57 5.849 7.969 2.124 476 HE2 TYR 57 2HE TYR 57 8.671 6.018 -0.412 477 HH TYR 57 HH TYR 57 7.672 8.966 1.259 478 H GLU 58 H GLU 58 7.813 1.377 2.622 479 HA GLU 58 HA GLU 58 9.519 3.254 4.099 480 HB2 GLU 58 1HB GLU 58 9.436 0.859 4.821 481 HB3 GLU 58 2HB GLU 58 10.136 0.415 3.270 482 HG2 GLU 58 1HG GLU 58 11.989 2.130 3.972 483 HG3 GLU 58 2HG GLU 58 11.384 1.789 5.592 484 H SER 59 H SER 59 10.548 4.679 2.871 485 HA SER 59 HA SER 59 10.966 4.342 0.081 486 HB2 SER 59 1HB SER 59 12.299 6.448 0.280 487 HB3 SER 59 2HB SER 59 10.689 6.567 0.991 488 HG SER 59 HG SER 59 12.940 5.867 2.545 489 H SER 60 H SER 60 12.418 3.044 -0.806 490 HA SER 60 HA SER 60 14.460 1.703 0.469 491 HB2 SER 60 1HB SER 60 13.454 1.468 -1.954 492 HB3 SER 60 2HB SER 60 14.821 2.489 -2.399 493 HG SER 60 HG SER 60 15.089 0.080 -2.387 494 H LYS 61 H LYS 61 14.810 4.601 -1.580 495 HA LYS 61 HA LYS 61 17.483 5.069 -1.367 496 HB2 LYS 61 1HB LYS 61 17.000 7.450 -1.662 497 HB3 LYS 61 2HB LYS 61 15.971 6.466 -2.694 498 HG2 LYS 61 1HG LYS 61 14.240 6.672 -0.801 499 HG3 LYS 61 2HG LYS 61 15.247 8.006 -0.233 500 HD2 LYS 61 1HD LYS 61 14.993 9.141 -2.362 501 HD3 LYS 61 2HD LYS 61 14.067 7.781 -3.003 502 HE2 LYS 61 1HE LYS 61 12.580 9.580 -2.335 503 HE3 LYS 61 2HE LYS 61 12.342 8.171 -1.301 504 HZ1 LYS 61 1HZ LYS 61 12.452 10.393 -0.154 505 HZ2 LYS 61 2HZ LYS 61 14.100 10.425 -0.531 506 HZ3 LYS 61 3HZ LYS 61 13.483 9.199 0.458 507 H MET 62 H MET 62 15.007 5.864 1.031 508 HA MET 62 HA MET 62 17.160 6.533 2.928 509 HB2 MET 62 1HB MET 62 15.325 8.269 2.261 510 HB3 MET 62 2HB MET 62 14.303 7.339 3.349 511 HG2 MET 62 1HG MET 62 16.908 8.659 4.080 512 HG3 MET 62 2HG MET 62 15.297 9.265 4.459 513 HE1 MET 62 1HE MET 62 17.482 9.117 6.241 514 HE2 MET 62 2HE MET 62 16.842 8.440 7.738 515 HE3 MET 62 3HE MET 62 18.045 7.545 6.808 516 HA PRO 63 HA PRO 63 15.377 2.556 4.422 517 HB2 PRO 63 1HB PRO 63 17.747 1.591 5.329 518 HB3 PRO 63 2HB PRO 63 17.221 1.424 3.649 519 HG2 PRO 63 1HG PRO 63 19.109 3.410 4.855 520 HG3 PRO 63 2HG PRO 63 19.252 2.513 3.332 521 HD2 PRO 63 1HD PRO 63 18.440 5.094 3.432 522 HD3 PRO 63 2HD PRO 63 17.849 3.954 2.206 523 H GLY 64 H GLY 64 14.978 1.889 6.541 524 HA2 GLY 64 1HA GLY 64 15.001 1.981 8.859 525 HA3 GLY 64 2HA GLY 64 16.308 3.153 8.768 526 H ARG 65 H ARG 65 13.354 3.634 6.992 527 HA ARG 65 HA ARG 65 12.199 5.341 9.027 528 HB2 ARG 65 1HB ARG 65 13.984 6.635 7.622 529 HB3 ARG 65 2HB ARG 65 12.742 6.630 6.377 530 HG2 ARG 65 1HG ARG 65 11.215 7.797 7.844 531 HG3 ARG 65 2HG ARG 65 12.391 7.729 9.158 532 HD2 ARG 65 1HD ARG 65 13.727 9.338 8.230 533 HD3 ARG 65 2HD ARG 65 13.236 8.947 6.582 534 HE ARG 65 HE ARG 65 12.037 10.869 8.322 535 HH11 ARG 65 2HH1 ARG 65 11.412 8.663 5.703 536 HH12 ARG 65 1HH1 ARG 65 10.048 9.550 5.108 537 HH21 ARG 65 2HH2 ARG 65 10.242 12.046 7.548 538 HH22 ARG 65 1HH2 ARG 65 9.384 11.475 6.158 539 H GLU 66 H GLU 66 10.026 5.479 8.841 540 HA GLU 66 HA GLU 66 8.811 4.483 6.349 541 HB2 GLU 66 1HB GLU 66 7.861 3.972 9.174 542 HB3 GLU 66 2HB GLU 66 7.036 3.453 7.711 543 HG2 GLU 66 1HG GLU 66 8.527 1.785 7.288 544 HG3 GLU 66 2HG GLU 66 9.857 2.618 8.091 545 H ILE 67 H ILE 67 7.015 5.535 5.597 546 HA ILE 67 HA ILE 67 6.322 8.030 6.995 547 HB ILE 67 HB ILE 67 6.025 7.327 4.072 548 HG12 ILE 67 1HG1 ILE 67 7.662 9.351 3.949 549 HG13 ILE 67 2HG1 ILE 67 7.994 8.972 5.636 550 HG21 ILE 67 1HG2 ILE 67 4.658 9.062 3.822 551 HG22 ILE 67 2HG2 ILE 67 4.550 9.150 5.579 552 HG23 ILE 67 3HG2 ILE 67 5.745 10.121 4.720 553 HD11 ILE 67 1HD1 ILE 67 9.584 7.660 4.771 554 HD12 ILE 67 2HD1 ILE 67 8.256 6.532 4.496 555 HD13 ILE 67 3HD1 ILE 67 8.805 7.582 3.191 556 H GLU 68 H GLU 68 4.576 7.659 8.226 557 HA GLU 68 HA GLU 68 2.546 5.779 7.594 558 HB2 GLU 68 1HB GLU 68 2.554 8.071 9.565 559 HB3 GLU 68 2HB GLU 68 1.316 6.826 9.485 560 HG2 GLU 68 1HG GLU 68 3.313 5.192 9.778 561 HG3 GLU 68 2HG GLU 68 4.151 6.618 10.387 562 H LEU 69 H LEU 69 1.350 6.056 5.811 563 HA LEU 69 HA LEU 69 0.673 8.554 4.685 564 HB2 LEU 69 1HB LEU 69 -0.827 5.981 4.270 565 HB3 LEU 69 2HB LEU 69 -0.683 7.342 3.159 566 HG LEU 69 HG LEU 69 1.638 5.591 3.952 567 HD11 LEU 69 1HD1 LEU 69 1.151 4.101 2.349 568 HD12 LEU 69 2HD1 LEU 69 0.520 5.329 1.253 569 HD13 LEU 69 3HD1 LEU 69 -0.500 4.692 2.543 570 HD21 LEU 69 1HD2 LEU 69 1.415 7.239 1.469 571 HD22 LEU 69 2HD2 LEU 69 2.855 6.687 2.325 572 HD23 LEU 69 3HD2 LEU 69 1.881 7.998 2.992 573 H GLU 70 H GLU 70 -0.364 9.926 6.066 574 HA GLU 70 HA GLU 70 -2.626 9.067 7.631 575 HB2 GLU 70 1HB GLU 70 -1.693 11.896 7.135 576 HB3 GLU 70 2HB GLU 70 -2.703 11.322 8.455 577 HG2 GLU 70 1HG GLU 70 0.120 10.387 8.045 578 HG3 GLU 70 2HG GLU 70 -0.291 11.805 9.008 579 H ASN 71 H ASN 71 -2.203 11.491 5.044 580 HA ASN 71 HA ASN 71 -4.900 12.033 4.631 581 HB2 ASN 71 1HB ASN 71 -2.725 13.140 3.653 582 HB3 ASN 71 2HB ASN 71 -2.999 12.027 2.316 583 HD21 ASN 71 1HD2 ASN 71 -5.575 11.983 1.877 584 HD22 ASN 71 2HD2 ASN 71 -6.208 13.555 1.537 585 H ASP 72 H ASP 72 -6.516 10.847 3.874 586 HA ASP 72 HA ASP 72 -5.917 8.326 2.520 587 HB2 ASP 72 1HB ASP 72 -8.551 8.167 2.830 588 HB3 ASP 72 2HB ASP 72 -7.444 7.809 4.152 589 H LEU 73 H LEU 73 -7.321 11.451 1.950 590 HA LEU 73 HA LEU 73 -8.489 10.658 -0.587 591 HB2 LEU 73 1HB LEU 73 -8.303 13.304 0.837 592 HB3 LEU 73 2HB LEU 73 -9.047 13.100 -0.747 593 HG LEU 73 HG LEU 73 -9.988 11.826 1.822 594 HD11 LEU 73 1HD1 LEU 73 -11.915 13.517 0.623 595 HD12 LEU 73 2HD1 LEU 73 -10.407 14.422 0.747 596 HD13 LEU 73 3HD1 LEU 73 -11.119 13.693 2.187 597 HD21 LEU 73 1HD2 LEU 73 -10.813 10.324 0.352 598 HD22 LEU 73 2HD2 LEU 73 -10.676 11.425 -1.019 599 HD23 LEU 73 3HD2 LEU 73 -12.033 11.572 0.098 600 H GLN 74 H GLN 74 -5.541 10.564 -0.056 601 HA GLN 74 HA GLN 74 -4.718 12.220 -2.347 602 HB2 GLN 74 1HB GLN 74 -3.286 11.747 0.258 603 HB3 GLN 74 2HB GLN 74 -2.427 12.256 -1.189 604 HG2 GLN 74 1HG GLN 74 -4.750 13.767 -0.027 605 HG3 GLN 74 2HG GLN 74 -3.068 14.086 0.395 606 HE21 GLN 74 1HE2 GLN 74 -5.057 15.789 -0.920 607 HE22 GLN 74 2HE2 GLN 74 -4.355 16.257 -2.427 608 HA PRO 75 HA PRO 75 -3.377 8.422 -4.130 609 HB2 PRO 75 1HB PRO 75 -1.663 9.424 -5.982 610 HB3 PRO 75 2HB PRO 75 -3.420 9.532 -6.142 611 HG2 PRO 75 1HG PRO 75 -1.474 11.599 -5.192 612 HG3 PRO 75 2HG PRO 75 -2.861 11.785 -6.281 613 HD2 PRO 75 1HD PRO 75 -2.960 12.473 -3.664 614 HD3 PRO 75 2HD PRO 75 -4.374 11.858 -4.544 615 H LEU 76 H LEU 76 -1.351 7.224 -4.633 616 HA LEU 76 HA LEU 76 0.425 7.303 -2.422 617 HB2 LEU 76 1HB LEU 76 0.462 5.778 -5.013 618 HB3 LEU 76 2HB LEU 76 1.695 5.579 -3.770 619 HG LEU 76 HG LEU 76 0.031 3.796 -3.681 620 HD11 LEU 76 1HD1 LEU 76 1.136 4.541 -1.619 621 HD12 LEU 76 2HD1 LEU 76 -0.492 3.935 -1.319 622 HD13 LEU 76 3HD1 LEU 76 -0.187 5.671 -1.330 623 HD21 LEU 76 1HD2 LEU 76 -1.961 5.969 -3.045 624 HD22 LEU 76 2HD2 LEU 76 -2.271 4.233 -3.107 625 HD23 LEU 76 3HD2 LEU 76 -1.859 5.109 -4.582 626 H GLN 77 H GLN 77 0.579 8.503 -5.709 627 HA GLN 77 HA GLN 77 3.334 9.003 -5.863 628 HB2 GLN 77 1HB GLN 77 2.848 10.380 -7.735 629 HB3 GLN 77 2HB GLN 77 1.661 9.083 -7.755 630 HG2 GLN 77 1HG GLN 77 -0.060 10.494 -7.022 631 HG3 GLN 77 2HG GLN 77 1.072 11.747 -6.515 632 HE21 GLN 77 1HE2 GLN 77 -0.290 13.156 -7.792 633 HE22 GLN 77 2HE2 GLN 77 -0.035 13.264 -9.497 634 H PHE 78 H PHE 78 0.789 10.654 -4.201 635 HA PHE 78 HA PHE 78 2.088 13.169 -3.918 636 HB2 PHE 78 1HB PHE 78 -0.334 12.937 -3.640 637 HB3 PHE 78 2HB PHE 78 -0.086 11.899 -2.241 638 HD1 PHE 78 2HD PHE 78 0.920 15.282 -3.453 639 HD2 PHE 78 1HD PHE 78 -0.283 12.856 -0.169 640 HE1 PHE 78 2HE PHE 78 0.927 17.262 -1.992 641 HE2 PHE 78 1HE PHE 78 -0.279 14.832 1.297 642 HZ PHE 78 HZ PHE 78 0.328 17.038 0.386 643 H TYR 79 H TYR 79 2.541 10.127 -2.456 644 HA TYR 79 HA TYR 79 3.942 11.313 -0.163 645 HB2 TYR 79 1HB TYR 79 2.789 8.585 -0.677 646 HB3 TYR 79 2HB TYR 79 3.998 8.830 0.578 647 HD1 TYR 79 2HD TYR 79 3.476 10.153 2.567 648 HD2 TYR 79 1HD TYR 79 0.543 9.444 -0.433 649 HE1 TYR 79 2HE TYR 79 1.716 10.870 4.127 650 HE2 TYR 79 1HE TYR 79 -1.226 10.160 1.119 651 HH TYR 79 HH TYR 79 -1.045 10.247 4.199 652 H SER 80 H SER 80 4.800 10.900 -3.101 653 HA SER 80 HA SER 80 6.718 10.437 -4.233 654 HB2 SER 80 1HB SER 80 7.746 11.830 -2.493 655 HB3 SER 80 2HB SER 80 7.917 10.417 -1.451 656 HG SER 80 HG SER 80 9.014 10.317 -4.021 657 H VAL 81 H VAL 81 5.107 8.274 -3.906 658 HA VAL 81 HA VAL 81 6.845 6.057 -3.088 659 HB VAL 81 HB VAL 81 3.886 6.228 -3.611 660 HG11 VAL 81 1HG1 VAL 81 5.665 3.837 -3.599 661 HG12 VAL 81 2HG1 VAL 81 4.049 3.708 -2.902 662 HG13 VAL 81 3HG1 VAL 81 4.249 4.183 -4.590 663 HG21 VAL 81 1HG2 VAL 81 3.980 6.655 -1.412 664 HG22 VAL 81 2HG2 VAL 81 4.284 4.927 -1.242 665 HG23 VAL 81 3HG2 VAL 81 5.634 6.061 -1.269 666 H GLU 82 H GLU 82 7.856 4.842 -4.546 667 HA GLU 82 HA GLU 82 6.824 4.775 -7.298 668 HB2 GLU 82 1HB GLU 82 9.080 4.936 -8.185 669 HB3 GLU 82 2HB GLU 82 8.726 6.338 -7.185 670 HG2 GLU 82 1HG GLU 82 10.182 5.699 -5.529 671 HG3 GLU 82 2HG GLU 82 10.103 3.994 -5.969 672 H ASN 83 H ASN 83 7.595 2.922 -8.555 673 HA ASN 83 HA ASN 83 7.140 0.497 -7.370 674 HB2 ASN 83 1HB ASN 83 7.976 -0.534 -9.345 675 HB3 ASN 83 2HB ASN 83 7.296 1.010 -9.850 676 HD21 ASN 83 1HD2 ASN 83 8.694 2.698 -10.428 677 HD22 ASN 83 2HD2 ASN 83 10.334 2.393 -10.880 678 H GLY 84 H GLY 84 8.340 -1.097 -6.404 679 HA2 GLY 84 1HA GLY 84 10.476 -2.120 -5.898 680 HA3 GLY 84 2HA GLY 84 11.192 -0.516 -5.929 681 H ASP 85 H ASP 85 9.222 0.807 -4.369 682 HA ASP 85 HA ASP 85 10.223 0.451 -1.805 683 HB2 ASP 85 1HB ASP 85 7.484 1.540 -2.477 684 HB3 ASP 85 2HB ASP 85 8.447 1.897 -1.045 685 H CYS 86 H CYS 86 8.724 -0.022 0.145 686 HA CYS 86 HA CYS 86 7.332 -2.566 -0.377 687 HB2 CYS 86 1HB CYS 86 9.039 -1.713 1.959 688 HB3 CYS 86 2HB CYS 86 7.956 -3.098 2.038 689 HG CYS 86 HG CYS 86 9.680 -4.756 1.133 690 H LEU 87 H LEU 87 5.434 -3.009 0.767 691 HA LEU 87 HA LEU 87 4.121 -0.622 1.869 692 HB2 LEU 87 1HB LEU 87 3.101 -3.086 0.506 693 HB3 LEU 87 2HB LEU 87 2.035 -2.108 1.513 694 HG LEU 87 HG LEU 87 3.524 -1.085 -0.903 695 HD11 LEU 87 1HD1 LEU 87 1.666 -2.853 -1.231 696 HD12 LEU 87 2HD1 LEU 87 1.618 -1.370 -2.183 697 HD13 LEU 87 3HD1 LEU 87 0.572 -1.547 -0.774 698 HD21 LEU 87 1HD2 LEU 87 3.048 0.658 0.701 699 HD22 LEU 87 2HD2 LEU 87 1.370 0.129 0.825 700 HD23 LEU 87 3HD2 LEU 87 1.969 0.819 -0.684 701 H LEU 88 H LEU 88 3.797 -0.519 3.984 702 HA LEU 88 HA LEU 88 3.868 -3.017 5.540 703 HB2 LEU 88 1HB LEU 88 4.352 -0.223 6.552 704 HB3 LEU 88 2HB LEU 88 4.635 -1.737 7.410 705 HG LEU 88 HG LEU 88 6.143 -1.116 4.898 706 HD11 LEU 88 1HD1 LEU 88 6.285 0.807 6.548 707 HD12 LEU 88 2HD1 LEU 88 7.809 0.065 6.062 708 HD13 LEU 88 3HD1 LEU 88 7.103 -0.320 7.631 709 HD21 LEU 88 1HD2 LEU 88 6.234 -3.379 5.851 710 HD22 LEU 88 2HD2 LEU 88 6.821 -2.705 7.372 711 HD23 LEU 88 3HD2 LEU 88 7.801 -2.570 5.911 712 H VAL 89 H VAL 89 1.833 -3.672 5.870 713 HA VAL 89 HA VAL 89 -0.272 -1.719 6.386 714 HB VAL 89 HB VAL 89 -0.457 -4.723 6.110 715 HG11 VAL 89 1HG1 VAL 89 -2.286 -2.911 7.198 716 HG12 VAL 89 2HG1 VAL 89 -2.877 -3.260 5.572 717 HG13 VAL 89 3HG1 VAL 89 -2.592 -4.577 6.710 718 HG21 VAL 89 1HG2 VAL 89 0.028 -4.168 3.965 719 HG22 VAL 89 2HG2 VAL 89 -1.693 -3.786 3.932 720 HG23 VAL 89 3HG2 VAL 89 -0.509 -2.499 4.157 721 H ARG 90 H ARG 90 -0.921 -1.205 8.365 722 HA ARG 90 HA ARG 90 -0.971 -3.130 10.501 723 HB2 ARG 90 1HB ARG 90 0.497 -1.915 12.020 724 HB3 ARG 90 2HB ARG 90 1.379 -2.410 10.581 725 HG2 ARG 90 1HG ARG 90 1.512 -0.242 9.761 726 HG3 ARG 90 2HG ARG 90 0.179 0.323 10.770 727 HD2 ARG 90 1HD ARG 90 1.496 0.549 12.624 728 HD3 ARG 90 2HD ARG 90 2.603 -0.730 12.125 729 HE ARG 90 HE ARG 90 2.707 1.627 10.474 730 HH11 ARG 90 2HH1 ARG 90 3.930 0.060 13.332 731 HH12 ARG 90 1HH1 ARG 90 5.404 0.969 13.358 732 HH21 ARG 90 2HH2 ARG 90 4.644 2.830 10.497 733 HH22 ARG 90 1HH2 ARG 90 5.809 2.545 11.745 734 H TRP 91 H TRP 91 -2.441 -2.602 12.053 735 HA TRP 91 HA TRP 91 -3.745 0.027 11.780 736 HB2 TRP 91 1HB TRP 91 -5.796 -1.173 12.684 737 HB3 TRP 91 2HB TRP 91 -5.303 -1.609 11.050 738 HD1 TRP 91 HD TRP 91 -5.909 -3.077 14.452 739 HE1 TRP 91 1HE TRP 91 -5.454 -5.609 14.397 740 HE3 TRP 91 3HE TRP 91 -3.675 -3.400 9.865 741 HZ2 TRP 91 2HZ TRP 91 -4.300 -7.495 12.642 742 HZ3 TRP 91 3HZ TRP 91 -2.924 -5.605 9.072 743 HH2 TRP 91 HH TRP 91 -3.230 -7.608 10.433 744 H SER 92 H SER 92 -5.188 0.360 13.901 745 HA SER 92 HA SER 92 -3.783 -0.447 16.311 746 HB2 SER 92 1HB SER 92 -2.951 1.595 16.941 747 HB3 SER 92 2HB SER 92 -2.836 1.791 15.193 748 HG SER 92 HG SER 92 -4.478 3.160 15.217 749 H GLY 93 H GLY 93 -5.344 -1.078 17.636 750 HA2 GLY 93 1HA GLY 93 -7.586 0.678 18.183 751 HA3 GLY 93 2HA GLY 93 -8.015 -0.853 17.434 752 HA PRO 94 HA PRO 94 -6.098 -1.908 21.758 753 HB2 PRO 94 1HB PRO 94 -5.755 0.184 23.454 754 HB3 PRO 94 2HB PRO 94 -4.496 -0.369 22.343 755 HG2 PRO 94 1HG PRO 94 -6.402 1.921 22.056 756 HG3 PRO 94 2HG PRO 94 -4.670 1.854 21.684 757 HD2 PRO 94 1HD PRO 94 -6.579 1.646 19.775 758 HD3 PRO 94 2HD PRO 94 -5.017 0.810 19.658 759 H SER 95 H SER 95 -7.817 -2.870 22.641 760 HA SER 95 HA SER 95 -10.254 -1.420 23.177 761 HB2 SER 95 1HB SER 95 -9.424 -4.302 23.455 762 HB3 SER 95 2HB SER 95 -10.959 -3.724 24.102 763 HG SER 95 HG SER 95 -11.242 -2.845 21.862 764 H SER 96 H SER 96 -10.903 -0.603 25.066 765 HA SER 96 HA SER 96 -9.720 -1.545 27.558 766 HB2 SER 96 1HB SER 96 -8.229 0.270 26.917 767 HB3 SER 96 2HB SER 96 -9.603 1.346 26.666 768 HG SER 96 HG SER 96 -8.356 1.348 28.788 769 H GLY 97 H GLY 97 -11.059 -1.355 29.308 770 HA2 GLY 97 1HA GLY 97 -13.823 -0.703 28.723 771 HA3 GLY 97 2HA GLY 97 -13.210 -1.424 30.203 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -1.239 -5.373 -20.497 2 HA2 GLY 1 1HA GLY 1 -3.569 -3.904 -20.496 3 HA3 GLY 1 2HA GLY 1 -2.937 -3.758 -18.863 4 H SER 2 H SER 2 -2.739 -2.650 -22.073 5 HA SER 2 HA SER 2 -0.528 -0.867 -21.313 6 HB2 SER 2 1HB SER 2 -0.861 -2.203 -24.011 7 HB3 SER 2 2HB SER 2 0.381 -1.021 -23.596 8 HG SER 2 HG SER 2 0.090 -3.679 -22.724 9 H SER 3 H SER 3 -1.404 1.089 -21.186 10 HA SER 3 HA SER 3 -3.215 1.945 -23.347 11 HB2 SER 3 1HB SER 3 -3.375 2.592 -20.396 12 HB3 SER 3 2HB SER 3 -4.311 3.430 -21.634 13 HG SER 3 HG SER 3 -4.393 0.652 -21.049 14 H GLY 4 H GLY 4 -0.996 3.099 -20.812 15 HA2 GLY 4 1HA GLY 4 0.776 4.598 -21.092 16 HA3 GLY 4 2HA GLY 4 0.200 4.940 -22.716 17 H SER 5 H SER 5 -0.009 5.786 -19.356 18 HA SER 5 HA SER 5 -1.116 8.366 -20.072 19 HB2 SER 5 1HB SER 5 -3.040 8.279 -18.687 20 HB3 SER 5 2HB SER 5 -3.068 6.779 -19.614 21 HG SER 5 HG SER 5 -2.581 7.193 -16.899 22 H SER 6 H SER 6 -1.433 9.668 -17.900 23 HA SER 6 HA SER 6 1.099 9.953 -16.746 24 HB2 SER 6 1HB SER 6 0.038 11.522 -15.201 25 HB3 SER 6 2HB SER 6 -0.591 11.758 -16.831 26 HG SER 6 HG SER 6 -2.502 11.123 -16.189 27 H GLY 7 H GLY 7 -1.822 8.349 -15.536 28 HA2 GLY 7 1HA GLY 7 -0.518 7.566 -13.073 29 HA3 GLY 7 2HA GLY 7 -2.147 7.141 -13.575 30 H GLN 8 H GLN 8 0.481 5.703 -12.640 31 HA GLN 8 HA GLN 8 0.145 3.458 -14.503 32 HB2 GLN 8 1HB GLN 8 2.524 3.028 -14.527 33 HB3 GLN 8 2HB GLN 8 2.228 4.677 -15.063 34 HG2 GLN 8 1HG GLN 8 2.635 5.225 -12.526 35 HG3 GLN 8 2HG GLN 8 3.500 3.690 -12.566 36 HE21 GLN 8 1HE2 GLN 8 3.779 6.954 -12.981 37 HE22 GLN 8 2HE2 GLN 8 5.241 6.997 -13.900 38 H LEU 9 H LEU 9 0.849 1.379 -13.599 39 HA LEU 9 HA LEU 9 0.063 1.187 -10.814 40 HB2 LEU 9 1HB LEU 9 0.390 -0.702 -13.081 41 HB3 LEU 9 2HB LEU 9 0.539 -1.347 -11.447 42 HG LEU 9 HG LEU 9 -1.780 -0.024 -11.186 43 HD11 LEU 9 1HD1 LEU 9 -1.373 -0.446 -14.086 44 HD12 LEU 9 2HD1 LEU 9 -2.310 0.782 -13.235 45 HD13 LEU 9 3HD1 LEU 9 -2.962 -0.845 -13.430 46 HD21 LEU 9 1HD2 LEU 9 -2.844 -2.275 -11.876 47 HD22 LEU 9 2HD2 LEU 9 -1.704 -2.249 -10.531 48 HD23 LEU 9 3HD2 LEU 9 -1.179 -2.805 -12.121 49 H LEU 10 H LEU 10 1.363 0.705 -9.135 50 HA LEU 10 HA LEU 10 4.235 0.462 -9.700 51 HB2 LEU 10 1HB LEU 10 3.210 0.959 -6.957 52 HB3 LEU 10 2HB LEU 10 4.679 1.543 -7.735 53 HG LEU 10 HG LEU 10 1.882 2.622 -8.008 54 HD11 LEU 10 1HD1 LEU 10 4.235 4.315 -7.442 55 HD12 LEU 10 2HD1 LEU 10 3.727 3.213 -6.163 56 HD13 LEU 10 3HD1 LEU 10 2.591 4.399 -6.807 57 HD21 LEU 10 1HD2 LEU 10 2.394 3.103 -10.129 58 HD22 LEU 10 2HD2 LEU 10 4.095 2.692 -9.908 59 HD23 LEU 10 3HD2 LEU 10 3.508 4.292 -9.454 60 H THR 11 H THR 11 5.500 -1.101 -8.664 61 HA THR 11 HA THR 11 3.983 -3.448 -7.759 62 HB THR 11 HB THR 11 6.851 -3.314 -8.709 63 HG1 THR 11 1HG THR 11 5.697 -4.581 -10.498 64 HG21 THR 11 1HG2 THR 11 6.826 -5.245 -7.473 65 HG22 THR 11 2HG2 THR 11 6.220 -5.867 -9.008 66 HG23 THR 11 3HG2 THR 11 5.096 -5.497 -7.701 67 H LEU 12 H LEU 12 3.739 -3.266 -5.595 68 HA LEU 12 HA LEU 12 6.197 -2.986 -3.997 69 HB2 LEU 12 1HB LEU 12 3.508 -2.104 -3.013 70 HB3 LEU 12 2HB LEU 12 5.102 -1.689 -2.387 71 HG LEU 12 HG LEU 12 4.299 -0.775 -5.118 72 HD11 LEU 12 1HD1 LEU 12 2.423 -0.109 -3.778 73 HD12 LEU 12 2HD1 LEU 12 3.432 1.305 -4.082 74 HD13 LEU 12 3HD1 LEU 12 3.489 0.503 -2.512 75 HD21 LEU 12 1HD2 LEU 12 6.302 0.168 -4.965 76 HD22 LEU 12 2HD2 LEU 12 6.476 -0.369 -3.294 77 HD23 LEU 12 3HD2 LEU 12 5.688 1.170 -3.649 78 H LYS 13 H LYS 13 6.056 -3.989 -1.838 79 HA LYS 13 HA LYS 13 4.451 -6.452 -1.957 80 HB2 LYS 13 1HB LYS 13 7.063 -5.851 -0.564 81 HB3 LYS 13 2HB LYS 13 6.153 -7.338 -0.326 82 HG2 LYS 13 1HG LYS 13 6.357 -7.795 -2.752 83 HG3 LYS 13 2HG LYS 13 7.382 -6.365 -2.896 84 HD2 LYS 13 1HD LYS 13 9.106 -7.325 -1.662 85 HD3 LYS 13 2HD LYS 13 8.041 -8.524 -0.925 86 HE2 LYS 13 1HE LYS 13 8.775 -8.453 -3.849 87 HE3 LYS 13 2HE LYS 13 9.578 -9.457 -2.643 88 HZ1 LYS 13 1HZ LYS 13 7.038 -10.121 -2.228 89 HZ2 LYS 13 2HZ LYS 13 8.049 -10.947 -3.302 90 HZ3 LYS 13 3HZ LYS 13 6.974 -9.778 -3.883 91 H ILE 14 H ILE 14 3.015 -6.908 -0.394 92 HA ILE 14 HA ILE 14 2.619 -4.907 1.697 93 HB ILE 14 HB ILE 14 0.873 -7.126 0.650 94 HG12 ILE 14 1HG1 ILE 14 -0.638 -4.955 0.473 95 HG13 ILE 14 2HG1 ILE 14 0.924 -4.143 0.487 96 HG21 ILE 14 1HG2 ILE 14 0.483 -5.399 3.082 97 HG22 ILE 14 2HG2 ILE 14 -0.837 -6.243 2.274 98 HG23 ILE 14 3HG2 ILE 14 0.488 -7.160 2.989 99 HD11 ILE 14 1HD1 ILE 14 1.081 -4.516 -1.682 100 HD12 ILE 14 2HD1 ILE 14 1.137 -6.249 -1.357 101 HD13 ILE 14 3HD1 ILE 14 -0.409 -5.458 -1.662 102 H LYS 15 H LYS 15 3.363 -5.231 3.676 103 HA LYS 15 HA LYS 15 3.506 -7.975 4.716 104 HB2 LYS 15 1HB LYS 15 5.763 -7.290 4.001 105 HB3 LYS 15 2HB LYS 15 5.656 -5.872 5.036 106 HG2 LYS 15 1HG LYS 15 5.390 -7.430 6.982 107 HG3 LYS 15 2HG LYS 15 5.764 -8.757 5.879 108 HD2 LYS 15 1HD LYS 15 7.944 -7.938 5.480 109 HD3 LYS 15 2HD LYS 15 7.573 -6.376 6.215 110 HE2 LYS 15 1HE LYS 15 8.887 -7.592 7.779 111 HE3 LYS 15 2HE LYS 15 7.231 -7.590 8.384 112 HZ1 LYS 15 1HZ LYS 15 8.636 -9.776 8.317 113 HZ2 LYS 15 2HZ LYS 15 8.104 -9.834 6.713 114 HZ3 LYS 15 3HZ LYS 15 6.979 -9.805 7.977 115 H CYS 16 H CYS 16 2.112 -8.037 6.349 116 HA CYS 16 HA CYS 16 1.231 -5.760 7.777 117 HB2 CYS 16 1HB CYS 16 0.945 -8.721 8.277 118 HB3 CYS 16 2HB CYS 16 0.235 -7.513 9.341 119 HG CYS 16 HG CYS 16 -0.492 -7.775 6.007 120 H SER 17 H SER 17 1.987 -4.796 9.556 121 HA SER 17 HA SER 17 4.552 -5.454 10.568 122 HB2 SER 17 1HB SER 17 3.290 -3.161 10.513 123 HB3 SER 17 2HB SER 17 2.642 -3.688 12.066 124 HG SER 17 HG SER 17 5.214 -2.921 11.378 125 H ASN 18 H ASN 18 5.164 -6.251 12.586 126 HA ASN 18 HA ASN 18 5.073 -7.853 14.218 127 HB2 ASN 18 1HB ASN 18 4.129 -5.795 15.306 128 HB3 ASN 18 2HB ASN 18 2.518 -6.412 14.951 129 HD21 ASN 18 1HD2 ASN 18 5.532 -7.780 16.240 130 HD22 ASN 18 2HD2 ASN 18 4.804 -8.508 17.628 131 H GLN 19 H GLN 19 3.638 -8.454 11.675 132 HA GLN 19 HA GLN 19 1.738 -10.449 12.722 133 HB2 GLN 19 1HB GLN 19 1.731 -8.864 10.168 134 HB3 GLN 19 2HB GLN 19 0.844 -10.377 10.299 135 HG2 GLN 19 1HG GLN 19 0.366 -7.777 11.676 136 HG3 GLN 19 2HG GLN 19 -0.763 -8.809 10.800 137 HE21 GLN 19 1HE2 GLN 19 -0.515 -7.625 13.634 138 HE22 GLN 19 2HE2 GLN 19 -0.915 -8.962 14.653 139 HA PRO 20 HA PRO 20 5.294 -12.820 11.008 140 HB2 PRO 20 1HB PRO 20 5.165 -14.778 12.884 141 HB3 PRO 20 2HB PRO 20 6.041 -13.264 13.135 142 HG2 PRO 20 1HG PRO 20 3.309 -14.049 14.072 143 HG3 PRO 20 2HG PRO 20 4.592 -13.200 14.953 144 HD2 PRO 20 1HD PRO 20 2.484 -11.909 13.848 145 HD3 PRO 20 2HD PRO 20 4.094 -11.172 13.977 146 H GLU 21 H GLU 21 2.031 -13.690 11.925 147 HA GLU 21 HA GLU 21 1.997 -16.255 10.702 148 HB2 GLU 21 1HB GLU 21 -0.085 -14.361 11.716 149 HB3 GLU 21 2HB GLU 21 -0.580 -15.723 10.721 150 HG2 GLU 21 1HG GLU 21 -0.785 -16.343 13.013 151 HG3 GLU 21 2HG GLU 21 0.561 -17.240 12.311 152 H ARG 22 H ARG 22 1.147 -13.010 9.606 153 HA ARG 22 HA ARG 22 0.179 -13.921 7.055 154 HB2 ARG 22 1HB ARG 22 0.552 -11.293 8.397 155 HB3 ARG 22 2HB ARG 22 0.513 -11.303 6.639 156 HG2 ARG 22 1HG ARG 22 -1.692 -10.886 7.336 157 HG3 ARG 22 2HG ARG 22 -1.661 -12.574 6.820 158 HD2 ARG 22 1HD ARG 22 -1.124 -11.971 9.681 159 HD3 ARG 22 2HD ARG 22 -2.782 -11.822 9.100 160 HE ARG 22 HE ARG 22 -1.423 -14.222 9.665 161 HH11 ARG 22 2HH1 ARG 22 -3.576 -12.824 7.314 162 HH12 ARG 22 1HH1 ARG 22 -4.296 -14.339 6.880 163 HH21 ARG 22 2HH2 ARG 22 -2.363 -16.223 9.103 164 HH22 ARG 22 1HH2 ARG 22 -3.606 -16.272 7.899 165 H GLN 23 H GLN 23 1.359 -14.372 5.320 166 HA GLN 23 HA GLN 23 4.213 -13.852 5.359 167 HB2 GLN 23 1HB GLN 23 4.313 -15.296 3.406 168 HB3 GLN 23 2HB GLN 23 3.369 -16.063 4.676 169 HG2 GLN 23 1HG GLN 23 1.965 -14.474 2.586 170 HG3 GLN 23 2HG GLN 23 2.555 -16.089 2.195 171 HE21 GLN 23 1HE2 GLN 23 1.961 -17.773 3.886 172 HE22 GLN 23 2HE2 GLN 23 0.337 -17.723 4.473 173 H ILE 24 H ILE 24 5.327 -12.567 3.937 174 HA ILE 24 HA ILE 24 4.161 -10.238 3.003 175 HB ILE 24 HB ILE 24 6.671 -11.584 2.000 176 HG12 ILE 24 1HG1 ILE 24 6.498 -9.250 3.890 177 HG13 ILE 24 2HG1 ILE 24 6.407 -10.905 4.483 178 HG21 ILE 24 1HG2 ILE 24 6.411 -10.058 0.346 179 HG22 ILE 24 2HG2 ILE 24 5.378 -9.014 1.321 180 HG23 ILE 24 3HG2 ILE 24 7.125 -8.990 1.555 181 HD11 ILE 24 1HD1 ILE 24 8.643 -10.567 2.701 182 HD12 ILE 24 2HD1 ILE 24 8.696 -9.408 4.029 183 HD13 ILE 24 3HD1 ILE 24 8.604 -11.135 4.370 184 H LEU 25 H LEU 25 3.525 -9.491 0.977 185 HA LEU 25 HA LEU 25 3.180 -11.507 -1.130 186 HB2 LEU 25 1HB LEU 25 1.011 -9.523 -0.715 187 HB3 LEU 25 2HB LEU 25 0.938 -11.152 -1.383 188 HG LEU 25 HG LEU 25 1.476 -10.791 1.532 189 HD11 LEU 25 1HD1 LEU 25 -0.405 -9.395 1.344 190 HD12 LEU 25 2HD1 LEU 25 -1.039 -10.966 1.834 191 HD13 LEU 25 3HD1 LEU 25 -1.171 -10.447 0.153 192 HD21 LEU 25 1HD2 LEU 25 0.553 -12.945 1.716 193 HD22 LEU 25 2HD2 LEU 25 1.566 -13.000 0.274 194 HD23 LEU 25 3HD2 LEU 25 -0.185 -12.857 0.116 195 H GLU 26 H GLU 26 2.143 -10.207 -3.136 196 HA GLU 26 HA GLU 26 3.402 -7.593 -3.420 197 HB2 GLU 26 1HB GLU 26 4.912 -9.632 -4.178 198 HB3 GLU 26 2HB GLU 26 3.901 -9.553 -5.615 199 HG2 GLU 26 1HG GLU 26 4.599 -7.342 -6.094 200 HG3 GLU 26 2HG GLU 26 5.380 -7.178 -4.522 201 H LYS 27 H LYS 27 1.830 -6.328 -4.134 202 HA LYS 27 HA LYS 27 0.027 -7.368 -6.220 203 HB2 LYS 27 1HB LYS 27 -0.585 -5.938 -3.684 204 HB3 LYS 27 2HB LYS 27 -1.547 -5.523 -5.096 205 HG2 LYS 27 1HG LYS 27 -1.179 -8.346 -4.133 206 HG3 LYS 27 2HG LYS 27 -2.502 -7.302 -3.605 207 HD2 LYS 27 1HD LYS 27 -2.002 -7.656 -6.526 208 HD3 LYS 27 2HD LYS 27 -2.813 -8.942 -5.630 209 HE2 LYS 27 1HE LYS 27 -4.462 -7.277 -4.827 210 HE3 LYS 27 2HE LYS 27 -3.682 -6.061 -5.836 211 HZ1 LYS 27 1HZ LYS 27 -4.176 -8.166 -7.519 212 HZ2 LYS 27 2HZ LYS 27 -5.044 -6.717 -7.442 213 HZ3 LYS 27 3HZ LYS 27 -5.569 -8.065 -6.565 214 H GLN 28 H GLN 28 -0.758 -5.827 -7.741 215 HA GLN 28 HA GLN 28 0.957 -3.443 -7.960 216 HB2 GLN 28 1HB GLN 28 -0.189 -5.277 -10.048 217 HB3 GLN 28 2HB GLN 28 0.326 -3.645 -10.456 218 HG2 GLN 28 1HG GLN 28 2.576 -4.157 -9.641 219 HG3 GLN 28 2HG GLN 28 2.056 -5.798 -9.259 220 HE21 GLN 28 1HE2 GLN 28 2.890 -3.562 -11.767 221 HE22 GLN 28 2HE2 GLN 28 2.972 -4.713 -13.054 222 H LEU 29 H LEU 29 -0.048 -1.579 -7.656 223 HA LEU 29 HA LEU 29 -2.848 -1.320 -8.517 224 HB2 LEU 29 1HB LEU 29 -1.679 -0.228 -5.962 225 HB3 LEU 29 2HB LEU 29 -3.320 0.043 -6.544 226 HG LEU 29 HG LEU 29 -3.333 -1.593 -4.769 227 HD11 LEU 29 1HD1 LEU 29 -4.433 -3.450 -5.931 228 HD12 LEU 29 2HD1 LEU 29 -3.805 -2.854 -7.467 229 HD13 LEU 29 3HD1 LEU 29 -4.957 -1.883 -6.549 230 HD21 LEU 29 1HD2 LEU 29 -1.914 -3.684 -6.248 231 HD22 LEU 29 2HD2 LEU 29 -1.861 -3.267 -4.535 232 HD23 LEU 29 3HD2 LEU 29 -0.888 -2.361 -5.695 233 HA PRO 30 HA PRO 30 -1.556 2.349 -10.558 234 HB2 PRO 30 1HB PRO 30 -3.860 3.783 -10.503 235 HB3 PRO 30 2HB PRO 30 -3.630 2.374 -11.545 236 HG2 PRO 30 1HG PRO 30 -5.028 2.570 -8.905 237 HG3 PRO 30 2HG PRO 30 -5.524 1.707 -10.372 238 HD2 PRO 30 1HD PRO 30 -4.375 0.455 -8.264 239 HD3 PRO 30 2HD PRO 30 -4.139 -0.083 -9.939 240 H ASP 31 H ASP 31 -0.264 3.861 -9.739 241 HA ASP 31 HA ASP 31 -0.078 4.758 -7.184 242 HB2 ASP 31 1HB ASP 31 1.057 6.772 -8.076 243 HB3 ASP 31 2HB ASP 31 1.600 5.291 -8.859 244 H SER 32 H SER 32 -2.473 5.640 -9.505 245 HA SER 32 HA SER 32 -3.309 8.095 -8.383 246 HB2 SER 32 1HB SER 32 -3.901 7.048 -10.680 247 HB3 SER 32 2HB SER 32 -5.180 6.211 -9.800 248 HG SER 32 HG SER 32 -6.157 8.040 -10.367 249 H MET 33 H MET 33 -4.353 4.750 -7.862 250 HA MET 33 HA MET 33 -6.558 5.000 -6.320 251 HB2 MET 33 1HB MET 33 -5.022 2.923 -6.905 252 HB3 MET 33 2HB MET 33 -4.427 3.192 -5.272 253 HG2 MET 33 1HG MET 33 -6.388 2.570 -4.302 254 HG3 MET 33 2HG MET 33 -7.361 3.088 -5.676 255 HE1 MET 33 1HE MET 33 -5.840 0.536 -3.713 256 HE2 MET 33 2HE MET 33 -6.025 -0.990 -4.577 257 HE3 MET 33 3HE MET 33 -4.605 0.018 -4.862 258 H THR 34 H THR 34 -6.993 6.394 -4.748 259 HA THR 34 HA THR 34 -5.076 7.713 -3.174 260 HB THR 34 HB THR 34 -7.082 8.281 -1.692 261 HG1 THR 34 1HG THR 34 -9.114 7.755 -2.645 262 HG21 THR 34 1HG2 THR 34 -7.988 9.096 -4.328 263 HG22 THR 34 2HG2 THR 34 -6.243 9.270 -4.143 264 HG23 THR 34 3HG2 THR 34 -7.334 10.069 -3.011 265 H VAL 35 H VAL 35 -4.363 7.417 -1.089 266 HA VAL 35 HA VAL 35 -3.813 4.944 -0.117 267 HB VAL 35 HB VAL 35 -4.344 7.425 1.521 268 HG11 VAL 35 1HG1 VAL 35 -4.307 5.935 3.222 269 HG12 VAL 35 2HG1 VAL 35 -3.470 4.706 2.272 270 HG13 VAL 35 3HG1 VAL 35 -2.564 6.043 2.979 271 HG21 VAL 35 1HG2 VAL 35 -2.576 8.028 0.197 272 HG22 VAL 35 2HG2 VAL 35 -1.713 7.253 1.526 273 HG23 VAL 35 3HG2 VAL 35 -1.996 6.371 0.025 274 H GLN 36 H GLN 36 -6.829 6.652 0.142 275 HA GLN 36 HA GLN 36 -7.966 5.140 2.248 276 HB2 GLN 36 1HB GLN 36 -8.738 7.390 1.200 277 HB3 GLN 36 2HB GLN 36 -9.595 6.374 0.049 278 HG2 GLN 36 1HG GLN 36 -10.622 5.233 2.084 279 HG3 GLN 36 2HG GLN 36 -10.006 6.603 3.008 280 HE21 GLN 36 1HE2 GLN 36 -11.520 8.038 3.383 281 HE22 GLN 36 2HE2 GLN 36 -12.783 8.504 2.300 282 H LYS 37 H LYS 37 -8.277 4.895 -1.288 283 HA LYS 37 HA LYS 37 -10.004 2.719 -1.389 284 HB2 LYS 37 1HB LYS 37 -7.901 3.761 -3.257 285 HB3 LYS 37 2HB LYS 37 -8.751 2.268 -3.631 286 HG2 LYS 37 1HG LYS 37 -10.847 3.848 -3.082 287 HG3 LYS 37 2HG LYS 37 -9.704 5.058 -3.671 288 HD2 LYS 37 1HD LYS 37 -10.621 4.453 -5.663 289 HD3 LYS 37 2HD LYS 37 -9.356 3.225 -5.571 290 HE2 LYS 37 1HE LYS 37 -11.166 1.826 -4.342 291 HE3 LYS 37 2HE LYS 37 -12.297 2.960 -5.080 292 HZ1 LYS 37 1HZ LYS 37 -12.224 1.535 -6.786 293 HZ2 LYS 37 2HZ LYS 37 -10.768 0.831 -6.292 294 HZ3 LYS 37 3HZ LYS 37 -10.752 2.279 -7.166 295 H VAL 38 H VAL 38 -6.443 2.692 -1.569 296 HA VAL 38 HA VAL 38 -5.997 -0.012 -1.727 297 HB VAL 38 HB VAL 38 -4.349 1.865 -0.030 298 HG11 VAL 38 1HG1 VAL 38 -3.709 -0.437 0.252 299 HG12 VAL 38 2HG1 VAL 38 -3.680 -0.684 -1.495 300 HG13 VAL 38 3HG1 VAL 38 -2.494 0.376 -0.733 301 HG21 VAL 38 1HG2 VAL 38 -4.990 2.193 -2.709 302 HG22 VAL 38 2HG2 VAL 38 -3.645 2.942 -1.850 303 HG23 VAL 38 3HG2 VAL 38 -3.398 1.435 -2.731 304 H LYS 39 H LYS 39 -6.672 1.909 1.162 305 HA LYS 39 HA LYS 39 -6.297 -0.223 3.007 306 HB2 LYS 39 1HB LYS 39 -7.621 2.472 3.170 307 HB3 LYS 39 2HB LYS 39 -7.700 1.340 4.514 308 HG2 LYS 39 1HG LYS 39 -5.430 1.477 4.935 309 HG3 LYS 39 2HG LYS 39 -5.062 2.066 3.312 310 HD2 LYS 39 1HD LYS 39 -6.086 4.203 3.824 311 HD3 LYS 39 2HD LYS 39 -6.570 3.618 5.417 312 HE2 LYS 39 1HE LYS 39 -4.115 3.229 5.876 313 HE3 LYS 39 2HE LYS 39 -3.784 4.122 4.393 314 HZ1 LYS 39 1HZ LYS 39 -5.338 5.206 6.677 315 HZ2 LYS 39 2HZ LYS 39 -4.829 6.051 5.304 316 HZ3 LYS 39 3HZ LYS 39 -3.691 5.497 6.426 317 H GLY 40 H GLY 40 -8.988 0.904 1.090 318 HA2 GLY 40 1HA GLY 40 -10.971 -0.604 2.534 319 HA3 GLY 40 2HA GLY 40 -11.202 0.229 1.004 320 H LEU 41 H LEU 41 -8.545 -1.533 0.469 321 HA LEU 41 HA LEU 41 -10.045 -3.592 -0.919 322 HB2 LEU 41 1HB LEU 41 -8.355 -2.659 -2.234 323 HB3 LEU 41 2HB LEU 41 -7.183 -2.706 -0.919 324 HG LEU 41 HG LEU 41 -7.421 -5.292 -1.172 325 HD11 LEU 41 1HD1 LEU 41 -9.245 -5.377 -2.704 326 HD12 LEU 41 2HD1 LEU 41 -7.799 -5.905 -3.564 327 HD13 LEU 41 3HD1 LEU 41 -8.433 -4.279 -3.821 328 HD21 LEU 41 1HD2 LEU 41 -5.931 -4.507 -3.489 329 HD22 LEU 41 2HD2 LEU 41 -5.345 -5.061 -1.920 330 HD23 LEU 41 3HD2 LEU 41 -5.667 -3.346 -2.187 331 H LEU 42 H LEU 42 -7.591 -3.367 1.623 332 HA LEU 42 HA LEU 42 -7.679 -6.238 2.066 333 HB2 LEU 42 1HB LEU 42 -6.146 -4.059 3.477 334 HB3 LEU 42 2HB LEU 42 -5.978 -5.785 3.790 335 HG LEU 42 HG LEU 42 -5.482 -4.751 1.034 336 HD11 LEU 42 1HD1 LEU 42 -2.999 -4.702 1.962 337 HD12 LEU 42 2HD1 LEU 42 -3.832 -4.223 3.441 338 HD13 LEU 42 3HD1 LEU 42 -4.031 -3.271 1.970 339 HD21 LEU 42 1HD2 LEU 42 -5.437 -7.232 2.132 340 HD22 LEU 42 2HD2 LEU 42 -3.746 -6.756 2.291 341 HD23 LEU 42 3HD2 LEU 42 -4.518 -6.752 0.705 342 H SER 43 H SER 43 -9.134 -3.379 3.281 343 HA SER 43 HA SER 43 -9.665 -3.851 5.909 344 HB2 SER 43 1HB SER 43 -10.565 -1.860 5.111 345 HB3 SER 43 2HB SER 43 -11.318 -2.639 3.720 346 HG SER 43 HG SER 43 -12.149 -2.699 6.425 347 H ARG 44 H ARG 44 -11.385 -5.253 3.141 348 HA ARG 44 HA ARG 44 -13.163 -6.788 4.784 349 HB2 ARG 44 1HB ARG 44 -12.525 -7.019 1.837 350 HB3 ARG 44 2HB ARG 44 -13.845 -7.843 2.658 351 HG2 ARG 44 1HG ARG 44 -14.794 -5.978 1.578 352 HG3 ARG 44 2HG ARG 44 -14.717 -5.566 3.292 353 HD2 ARG 44 1HD ARG 44 -12.993 -4.054 2.986 354 HD3 ARG 44 2HD ARG 44 -12.469 -4.804 1.478 355 HE ARG 44 HE ARG 44 -14.372 -2.713 1.767 356 HH11 ARG 44 2HH1 ARG 44 -13.608 -5.529 -0.132 357 HH12 ARG 44 1HH1 ARG 44 -14.427 -4.957 -1.548 358 HH21 ARG 44 2HH2 ARG 44 -15.454 -1.949 -0.090 359 HH22 ARG 44 1HH2 ARG 44 -15.476 -2.920 -1.523 360 H LEU 45 H LEU 45 -10.109 -7.355 3.155 361 HA LEU 45 HA LEU 45 -10.049 -10.157 3.333 362 HB2 LEU 45 1HB LEU 45 -8.039 -8.003 2.986 363 HB3 LEU 45 2HB LEU 45 -7.450 -9.593 3.467 364 HG LEU 45 HG LEU 45 -8.520 -10.555 1.453 365 HD11 LEU 45 1HD1 LEU 45 -10.130 -8.481 1.362 366 HD12 LEU 45 2HD1 LEU 45 -9.655 -9.329 -0.109 367 HD13 LEU 45 3HD1 LEU 45 -8.859 -7.819 0.334 368 HD21 LEU 45 1HD2 LEU 45 -6.163 -9.108 1.655 369 HD22 LEU 45 2HD2 LEU 45 -6.906 -8.524 0.167 370 HD23 LEU 45 3HD2 LEU 45 -6.595 -10.247 0.380 371 H LEU 46 H LEU 46 -8.249 -7.847 5.376 372 HA LEU 46 HA LEU 46 -7.919 -9.857 7.426 373 HB2 LEU 46 1HB LEU 46 -7.066 -6.980 7.208 374 HB3 LEU 46 2HB LEU 46 -6.763 -7.967 8.636 375 HG LEU 46 HG LEU 46 -5.799 -8.929 5.981 376 HD11 LEU 46 1HD1 LEU 46 -4.471 -6.795 7.644 377 HD12 LEU 46 2HD1 LEU 46 -5.049 -6.643 5.986 378 HD13 LEU 46 3HD1 LEU 46 -3.684 -7.698 6.350 379 HD21 LEU 46 1HD2 LEU 46 -5.707 -10.196 8.213 380 HD22 LEU 46 2HD2 LEU 46 -4.429 -9.060 8.646 381 HD23 LEU 46 3HD2 LEU 46 -4.236 -10.112 7.243 382 H LYS 47 H LYS 47 -10.519 -8.235 6.613 383 HA LYS 47 HA LYS 47 -12.369 -7.399 7.654 384 HB2 LYS 47 1HB LYS 47 -11.436 -9.239 9.866 385 HB3 LYS 47 2HB LYS 47 -13.067 -8.613 9.661 386 HG2 LYS 47 1HG LYS 47 -13.332 -10.670 8.737 387 HG3 LYS 47 2HG LYS 47 -12.837 -9.772 7.300 388 HD2 LYS 47 1HD LYS 47 -11.518 -11.705 7.258 389 HD3 LYS 47 2HD LYS 47 -10.450 -10.465 7.919 390 HE2 LYS 47 1HE LYS 47 -11.175 -11.278 10.213 391 HE3 LYS 47 2HE LYS 47 -11.890 -12.661 9.386 392 HZ1 LYS 47 1HZ LYS 47 -9.544 -12.864 8.348 393 HZ2 LYS 47 2HZ LYS 47 -9.809 -13.434 9.918 394 HZ3 LYS 47 3HZ LYS 47 -9.054 -11.939 9.677 395 H VAL 48 H VAL 48 -10.473 -5.546 7.806 396 HA VAL 48 HA VAL 48 -10.715 -4.513 10.555 397 HB VAL 48 HB VAL 48 -8.344 -4.184 8.711 398 HG11 VAL 48 1HG1 VAL 48 -9.036 -2.204 10.191 399 HG12 VAL 48 2HG1 VAL 48 -8.514 -3.210 11.543 400 HG13 VAL 48 3HG1 VAL 48 -7.366 -2.760 10.281 401 HG21 VAL 48 1HG2 VAL 48 -7.626 -6.076 9.634 402 HG22 VAL 48 2HG2 VAL 48 -7.546 -5.225 11.177 403 HG23 VAL 48 3HG2 VAL 48 -8.999 -6.124 10.740 404 HA PRO 49 HA PRO 49 -12.667 -1.049 8.645 405 HB2 PRO 49 1HB PRO 49 -12.435 0.709 10.700 406 HB3 PRO 49 2HB PRO 49 -13.587 -0.632 10.708 407 HG2 PRO 49 1HG PRO 49 -10.899 -0.435 12.012 408 HG3 PRO 49 2HG PRO 49 -12.412 -1.095 12.661 409 HD2 PRO 49 1HD PRO 49 -10.439 -2.669 11.680 410 HD3 PRO 49 2HD PRO 49 -12.157 -3.103 11.559 411 H VAL 50 H VAL 50 -11.806 0.228 7.143 412 HA VAL 50 HA VAL 50 -9.211 0.859 6.710 413 HB VAL 50 HB VAL 50 -11.661 2.495 6.083 414 HG11 VAL 50 1HG1 VAL 50 -8.831 2.990 5.163 415 HG12 VAL 50 2HG1 VAL 50 -10.268 3.799 4.535 416 HG13 VAL 50 3HG1 VAL 50 -9.785 4.034 6.215 417 HG21 VAL 50 1HG2 VAL 50 -10.670 0.148 5.017 418 HG22 VAL 50 2HG2 VAL 50 -11.830 1.233 4.249 419 HG23 VAL 50 3HG2 VAL 50 -10.109 1.384 3.891 420 H SER 51 H SER 51 -11.316 2.313 9.056 421 HA SER 51 HA SER 51 -9.861 4.685 9.532 422 HB2 SER 51 1HB SER 51 -11.927 3.124 11.017 423 HB3 SER 51 2HB SER 51 -11.017 4.348 11.902 424 HG SER 51 HG SER 51 -12.640 5.498 11.078 425 H GLU 52 H GLU 52 -9.720 1.466 11.006 426 HA GLU 52 HA GLU 52 -7.599 2.231 12.807 427 HB2 GLU 52 1HB GLU 52 -8.853 -0.440 12.165 428 HB3 GLU 52 2HB GLU 52 -7.578 -0.222 13.356 429 HG2 GLU 52 1HG GLU 52 -10.316 1.025 13.435 430 HG3 GLU 52 2HG GLU 52 -9.752 -0.324 14.419 431 H LEU 53 H LEU 53 -7.849 1.063 9.601 432 HA LEU 53 HA LEU 53 -5.334 -0.268 9.446 433 HB2 LEU 53 1HB LEU 53 -7.277 0.796 7.430 434 HB3 LEU 53 2HB LEU 53 -5.701 0.186 6.929 435 HG LEU 53 HG LEU 53 -7.695 -1.453 8.482 436 HD11 LEU 53 1HD1 LEU 53 -7.424 -0.953 5.558 437 HD12 LEU 53 2HD1 LEU 53 -8.874 -1.174 6.537 438 HD13 LEU 53 3HD1 LEU 53 -7.875 -2.564 6.117 439 HD21 LEU 53 1HD2 LEU 53 -5.176 -2.110 6.965 440 HD22 LEU 53 2HD2 LEU 53 -6.321 -3.318 7.547 441 HD23 LEU 53 3HD2 LEU 53 -5.467 -2.287 8.696 442 H LEU 54 H LEU 54 -3.347 0.500 8.996 443 HA LEU 54 HA LEU 54 -3.084 3.329 8.242 444 HB2 LEU 54 1HB LEU 54 -1.496 1.888 10.361 445 HB3 LEU 54 2HB LEU 54 -1.149 3.510 9.765 446 HG LEU 54 HG LEU 54 -3.683 2.717 11.197 447 HD11 LEU 54 1HD1 LEU 54 -2.732 4.007 13.083 448 HD12 LEU 54 2HD1 LEU 54 -1.203 4.097 12.210 449 HD13 LEU 54 3HD1 LEU 54 -1.834 2.532 12.723 450 HD21 LEU 54 1HD2 LEU 54 -4.468 4.686 10.549 451 HD22 LEU 54 2HD2 LEU 54 -2.996 4.975 9.620 452 HD23 LEU 54 3HD2 LEU 54 -3.093 5.491 11.305 453 H LEU 55 H LEU 55 -2.212 3.290 6.276 454 HA LEU 55 HA LEU 55 -0.369 1.183 5.508 455 HB2 LEU 55 1HB LEU 55 -1.958 3.249 4.126 456 HB3 LEU 55 2HB LEU 55 -0.424 2.823 3.370 457 HG LEU 55 HG LEU 55 -2.464 1.606 2.521 458 HD11 LEU 55 1HD1 LEU 55 -0.216 0.796 2.100 459 HD12 LEU 55 2HD1 LEU 55 -1.311 -0.554 2.396 460 HD13 LEU 55 3HD1 LEU 55 -0.200 -0.027 3.660 461 HD21 LEU 55 1HD2 LEU 55 -2.728 1.038 5.311 462 HD22 LEU 55 2HD2 LEU 55 -2.532 -0.472 4.420 463 HD23 LEU 55 3HD2 LEU 55 -3.825 0.647 3.986 464 H SER 56 H SER 56 1.780 1.364 5.429 465 HA SER 56 HA SER 56 3.000 4.027 5.407 466 HB2 SER 56 1HB SER 56 4.702 2.915 7.111 467 HB3 SER 56 2HB SER 56 3.233 3.709 7.679 468 HG SER 56 HG SER 56 3.870 1.367 8.324 469 H TYR 57 H TYR 57 4.407 4.118 3.800 470 HA TYR 57 HA TYR 57 5.556 1.632 2.763 471 HB2 TYR 57 1HB TYR 57 5.746 2.661 0.706 472 HB3 TYR 57 2HB TYR 57 4.340 3.497 1.357 473 HD1 TYR 57 1HD TYR 57 4.687 5.774 2.429 474 HD2 TYR 57 2HD TYR 57 7.671 3.854 0.081 475 HE1 TYR 57 1HE TYR 57 5.818 7.934 2.111 476 HE2 TYR 57 2HE TYR 57 8.811 6.009 -0.242 477 HH TYR 57 HH TYR 57 7.409 9.024 0.934 478 H GLU 58 H GLU 58 7.780 1.401 2.378 479 HA GLU 58 HA GLU 58 9.473 3.228 3.953 480 HB2 GLU 58 1HB GLU 58 9.170 0.771 4.694 481 HB3 GLU 58 2HB GLU 58 10.199 0.380 3.323 482 HG2 GLU 58 1HG GLU 58 11.999 1.680 4.232 483 HG3 GLU 58 2HG GLU 58 10.970 2.262 5.540 484 H SER 59 H SER 59 10.998 4.312 2.898 485 HA SER 59 HA SER 59 11.379 3.866 0.073 486 HB2 SER 59 1HB SER 59 12.969 5.819 1.718 487 HB3 SER 59 2HB SER 59 12.473 5.940 0.030 488 HG SER 59 HG SER 59 11.288 7.185 1.783 489 H SER 60 H SER 60 13.311 3.332 -0.958 490 HA SER 60 HA SER 60 14.990 1.520 0.511 491 HB2 SER 60 1HB SER 60 16.200 1.480 -1.812 492 HB3 SER 60 2HB SER 60 14.601 0.753 -1.650 493 HG SER 60 HG SER 60 14.777 2.137 -3.483 494 H LYS 61 H LYS 61 15.470 4.608 -1.177 495 HA LYS 61 HA LYS 61 18.188 4.926 -0.807 496 HB2 LYS 61 1HB LYS 61 17.877 7.222 -1.237 497 HB3 LYS 61 2HB LYS 61 16.567 6.419 -2.094 498 HG2 LYS 61 1HG LYS 61 14.972 7.093 -0.503 499 HG3 LYS 61 2HG LYS 61 16.215 7.562 0.659 500 HD2 LYS 61 1HD LYS 61 16.846 9.443 -0.653 501 HD3 LYS 61 2HD LYS 61 15.876 8.895 -2.021 502 HE2 LYS 61 1HE LYS 61 13.912 9.586 -1.080 503 HE3 LYS 61 2HE LYS 61 14.495 9.359 0.568 504 HZ1 LYS 61 1HZ LYS 61 15.068 11.482 0.677 505 HZ2 LYS 61 2HZ LYS 61 14.318 11.733 -0.818 506 HZ3 LYS 61 3HZ LYS 61 15.973 11.389 -0.750 507 H MET 62 H MET 62 15.617 5.176 1.510 508 HA MET 62 HA MET 62 17.609 5.774 3.588 509 HB2 MET 62 1HB MET 62 16.054 7.732 2.942 510 HB3 MET 62 2HB MET 62 14.793 6.814 3.754 511 HG2 MET 62 1HG MET 62 15.769 8.488 5.222 512 HG3 MET 62 2HG MET 62 16.059 6.856 5.820 513 HE1 MET 62 1HE MET 62 18.617 5.729 5.899 514 HE2 MET 62 2HE MET 62 19.595 6.975 6.675 515 HE3 MET 62 3HE MET 62 17.917 6.735 7.167 516 HA PRO 63 HA PRO 63 15.385 1.875 4.617 517 HB2 PRO 63 1HB PRO 63 17.576 0.647 5.645 518 HB3 PRO 63 2HB PRO 63 17.194 0.644 3.920 519 HG2 PRO 63 1HG PRO 63 19.117 2.370 5.430 520 HG3 PRO 63 2HG PRO 63 19.326 1.571 3.861 521 HD2 PRO 63 1HD PRO 63 18.718 4.200 4.088 522 HD3 PRO 63 2HD PRO 63 18.152 3.203 2.733 523 H GLY 64 H GLY 64 14.624 1.223 6.603 524 HA2 GLY 64 1HA GLY 64 14.448 1.127 8.922 525 HA3 GLY 64 2HA GLY 64 15.884 2.132 9.046 526 H ARG 65 H ARG 65 13.317 3.185 6.991 527 HA ARG 65 HA ARG 65 12.089 4.828 9.044 528 HB2 ARG 65 1HB ARG 65 14.208 5.972 7.990 529 HB3 ARG 65 2HB ARG 65 13.121 6.283 6.643 530 HG2 ARG 65 1HG ARG 65 11.580 7.430 8.178 531 HG3 ARG 65 2HG ARG 65 12.724 7.162 9.494 532 HD2 ARG 65 1HD ARG 65 13.502 8.585 6.966 533 HD3 ARG 65 2HD ARG 65 12.777 9.434 8.329 534 HE ARG 65 HE ARG 65 14.891 8.001 9.365 535 HH11 ARG 65 2HH1 ARG 65 14.441 10.498 6.981 536 HH12 ARG 65 1HH1 ARG 65 16.004 11.201 7.233 537 HH21 ARG 65 2HH2 ARG 65 16.951 8.918 9.706 538 HH22 ARG 65 1HH2 ARG 65 17.431 10.302 8.783 539 H GLU 66 H GLU 66 9.987 4.599 8.704 540 HA GLU 66 HA GLU 66 9.025 4.328 5.935 541 HB2 GLU 66 1HB GLU 66 7.057 3.199 6.888 542 HB3 GLU 66 2HB GLU 66 8.552 2.372 7.303 543 HG2 GLU 66 1HG GLU 66 7.081 2.431 9.208 544 HG3 GLU 66 2HG GLU 66 8.507 3.420 9.517 545 H ILE 67 H ILE 67 6.983 5.324 5.399 546 HA ILE 67 HA ILE 67 6.496 7.770 6.969 547 HB ILE 67 HB ILE 67 6.126 7.298 4.009 548 HG12 ILE 67 1HG1 ILE 67 7.750 9.395 4.120 549 HG13 ILE 67 2HG1 ILE 67 8.159 8.703 5.686 550 HG21 ILE 67 1HG2 ILE 67 4.669 8.969 3.973 551 HG22 ILE 67 2HG2 ILE 67 4.764 9.093 5.729 552 HG23 ILE 67 3HG2 ILE 67 5.860 10.034 4.719 553 HD11 ILE 67 1HD1 ILE 67 8.755 7.737 2.969 554 HD12 ILE 67 2HD1 ILE 67 9.698 7.618 4.455 555 HD13 ILE 67 3HD1 ILE 67 8.356 6.509 4.170 556 H GLU 68 H GLU 68 4.749 7.452 8.198 557 HA GLU 68 HA GLU 68 2.648 5.663 7.573 558 HB2 GLU 68 1HB GLU 68 1.452 6.944 9.450 559 HB3 GLU 68 2HB GLU 68 2.936 6.092 9.857 560 HG2 GLU 68 1HG GLU 68 4.129 8.021 10.158 561 HG3 GLU 68 2HG GLU 68 3.102 8.955 9.073 562 H LEU 69 H LEU 69 1.347 5.957 5.883 563 HA LEU 69 HA LEU 69 0.708 8.555 4.854 564 HB2 LEU 69 1HB LEU 69 -0.722 6.025 4.121 565 HB3 LEU 69 2HB LEU 69 -0.416 7.449 3.128 566 HG LEU 69 HG LEU 69 1.741 5.548 4.034 567 HD11 LEU 69 1HD1 LEU 69 -0.198 4.731 2.424 568 HD12 LEU 69 2HD1 LEU 69 1.487 4.281 2.162 569 HD13 LEU 69 3HD1 LEU 69 0.771 5.596 1.230 570 HD21 LEU 69 1HD2 LEU 69 1.735 8.106 2.740 571 HD22 LEU 69 2HD2 LEU 69 2.385 6.883 1.648 572 HD23 LEU 69 3HD2 LEU 69 3.102 7.112 3.244 573 H GLU 70 H GLU 70 -0.569 9.818 6.068 574 HA GLU 70 HA GLU 70 -2.898 8.652 7.400 575 HB2 GLU 70 1HB GLU 70 -3.065 10.812 8.561 576 HB3 GLU 70 2HB GLU 70 -1.475 10.089 8.759 577 HG2 GLU 70 1HG GLU 70 -0.728 11.561 6.834 578 HG3 GLU 70 2HG GLU 70 -2.257 12.416 7.035 579 H ASN 71 H ASN 71 -2.019 10.941 4.891 580 HA ASN 71 HA ASN 71 -4.583 12.059 4.494 581 HB2 ASN 71 1HB ASN 71 -2.189 11.807 2.669 582 HB3 ASN 71 2HB ASN 71 -3.652 12.680 2.223 583 HD21 ASN 71 1HD2 ASN 71 -3.555 14.770 2.540 584 HD22 ASN 71 2HD2 ASN 71 -2.618 15.581 3.744 585 H ASP 72 H ASP 72 -6.319 10.884 4.017 586 HA ASP 72 HA ASP 72 -6.088 8.468 2.421 587 HB2 ASP 72 1HB ASP 72 -8.718 8.623 2.851 588 HB3 ASP 72 2HB ASP 72 -7.604 8.014 4.071 589 H LEU 73 H LEU 73 -6.672 11.749 1.898 590 HA LEU 73 HA LEU 73 -8.191 11.250 -0.562 591 HB2 LEU 73 1HB LEU 73 -7.649 13.746 1.026 592 HB3 LEU 73 2HB LEU 73 -8.372 13.777 -0.581 593 HG LEU 73 HG LEU 73 -9.549 12.483 1.878 594 HD11 LEU 73 1HD1 LEU 73 -9.669 15.156 0.808 595 HD12 LEU 73 2HD1 LEU 73 -10.315 14.519 2.319 596 HD13 LEU 73 3HD1 LEU 73 -11.267 14.412 0.839 597 HD21 LEU 73 1HD2 LEU 73 -11.563 12.563 0.116 598 HD22 LEU 73 2HD2 LEU 73 -10.496 11.169 0.298 599 HD23 LEU 73 3HD2 LEU 73 -10.215 12.334 -0.998 600 H GLN 74 H GLN 74 -5.221 10.840 -0.031 601 HA GLN 74 HA GLN 74 -4.285 12.376 -2.360 602 HB2 GLN 74 1HB GLN 74 -2.807 11.829 0.214 603 HB3 GLN 74 2HB GLN 74 -2.012 12.378 -1.255 604 HG2 GLN 74 1HG GLN 74 -4.288 13.900 -0.041 605 HG3 GLN 74 2HG GLN 74 -2.626 14.120 0.505 606 HE21 GLN 74 1HE2 GLN 74 -4.082 16.194 -0.564 607 HE22 GLN 74 2HE2 GLN 74 -3.410 16.640 -2.092 608 HA PRO 75 HA PRO 75 -3.217 8.440 -4.022 609 HB2 PRO 75 1HB PRO 75 -1.428 9.255 -5.894 610 HB3 PRO 75 2HB PRO 75 -3.172 9.489 -6.066 611 HG2 PRO 75 1HG PRO 75 -1.080 11.433 -5.169 612 HG3 PRO 75 2HG PRO 75 -2.446 11.688 -6.270 613 HD2 PRO 75 1HD PRO 75 -2.501 12.461 -3.675 614 HD3 PRO 75 2HD PRO 75 -3.955 11.927 -4.543 615 H LEU 76 H LEU 76 -1.201 7.159 -4.603 616 HA LEU 76 HA LEU 76 0.529 7.101 -2.342 617 HB2 LEU 76 1HB LEU 76 0.455 5.594 -4.938 618 HB3 LEU 76 2HB LEU 76 1.739 5.348 -3.756 619 HG LEU 76 HG LEU 76 0.037 3.619 -3.577 620 HD11 LEU 76 1HD1 LEU 76 -0.209 5.446 -1.202 621 HD12 LEU 76 2HD1 LEU 76 1.252 4.527 -1.561 622 HD13 LEU 76 3HD1 LEU 76 -0.261 3.683 -1.235 623 HD21 LEU 76 1HD2 LEU 76 -2.232 4.117 -2.930 624 HD22 LEU 76 2HD2 LEU 76 -1.850 4.974 -4.424 625 HD23 LEU 76 3HD2 LEU 76 -1.879 5.845 -2.889 626 H GLN 77 H GLN 77 0.812 8.294 -5.630 627 HA GLN 77 HA GLN 77 3.596 8.670 -5.694 628 HB2 GLN 77 1HB GLN 77 3.236 10.025 -7.608 629 HB3 GLN 77 2HB GLN 77 1.996 8.778 -7.649 630 HG2 GLN 77 1HG GLN 77 0.345 10.324 -6.830 631 HG3 GLN 77 2HG GLN 77 1.571 11.573 -6.619 632 HE21 GLN 77 1HE2 GLN 77 2.101 12.839 -8.299 633 HE22 GLN 77 2HE2 GLN 77 1.449 12.683 -9.891 634 H PHE 78 H PHE 78 1.012 10.552 -4.300 635 HA PHE 78 HA PHE 78 2.322 13.006 -3.997 636 HB2 PHE 78 1HB PHE 78 -0.093 12.702 -3.621 637 HB3 PHE 78 2HB PHE 78 0.253 11.750 -2.182 638 HD1 PHE 78 2HD PHE 78 0.596 15.122 -3.665 639 HD2 PHE 78 1HD PHE 78 0.616 12.780 -0.112 640 HE1 PHE 78 2HE PHE 78 0.606 17.178 -2.315 641 HE2 PHE 78 1HE PHE 78 0.625 14.833 1.245 642 HZ PHE 78 HZ PHE 78 0.621 17.035 0.144 643 H TYR 79 H TYR 79 2.965 10.013 -2.560 644 HA TYR 79 HA TYR 79 4.465 11.289 -0.370 645 HB2 TYR 79 1HB TYR 79 3.172 8.590 -0.624 646 HB3 TYR 79 2HB TYR 79 4.483 8.848 0.522 647 HD1 TYR 79 2HD TYR 79 4.184 10.413 2.412 648 HD2 TYR 79 1HD TYR 79 0.981 9.469 -0.224 649 HE1 TYR 79 2HE TYR 79 2.581 11.308 4.049 650 HE2 TYR 79 1HE TYR 79 -0.631 10.361 1.405 651 HH TYR 79 HH TYR 79 0.258 11.150 4.626 652 H SER 80 H SER 80 5.246 10.881 -3.234 653 HA SER 80 HA SER 80 7.081 10.288 -4.443 654 HB2 SER 80 1HB SER 80 8.146 11.517 -2.485 655 HB3 SER 80 2HB SER 80 8.493 9.930 -1.797 656 HG SER 80 HG SER 80 10.266 10.570 -2.982 657 H VAL 81 H VAL 81 5.229 8.204 -3.464 658 HA VAL 81 HA VAL 81 6.851 5.872 -2.963 659 HB VAL 81 HB VAL 81 3.899 6.147 -3.537 660 HG11 VAL 81 1HG1 VAL 81 4.169 3.741 -2.328 661 HG12 VAL 81 2HG1 VAL 81 4.070 3.968 -4.075 662 HG13 VAL 81 3HG1 VAL 81 5.643 3.792 -3.295 663 HG21 VAL 81 1HG2 VAL 81 5.484 6.539 -1.185 664 HG22 VAL 81 2HG2 VAL 81 3.745 6.742 -1.401 665 HG23 VAL 81 3HG2 VAL 81 4.399 5.168 -0.947 666 H GLU 82 H GLU 82 7.899 4.809 -4.498 667 HA GLU 82 HA GLU 82 6.713 4.693 -7.192 668 HB2 GLU 82 1HB GLU 82 8.883 4.864 -8.193 669 HB3 GLU 82 2HB GLU 82 8.702 6.205 -7.070 670 HG2 GLU 82 1HG GLU 82 10.271 5.397 -5.627 671 HG3 GLU 82 2HG GLU 82 9.989 3.719 -6.086 672 H ASN 83 H ASN 83 7.556 2.835 -8.494 673 HA ASN 83 HA ASN 83 7.029 0.414 -7.268 674 HB2 ASN 83 1HB ASN 83 7.687 -0.628 -9.277 675 HB3 ASN 83 2HB ASN 83 7.135 0.970 -9.771 676 HD21 ASN 83 1HD2 ASN 83 9.002 2.649 -9.653 677 HD22 ASN 83 2HD2 ASN 83 10.467 2.153 -10.422 678 H GLY 84 H GLY 84 8.202 -1.121 -6.231 679 HA2 GLY 84 1HA GLY 84 10.349 -2.214 -5.842 680 HA3 GLY 84 2HA GLY 84 11.097 -0.626 -5.926 681 H ASP 85 H ASP 85 9.178 0.738 -4.306 682 HA ASP 85 HA ASP 85 10.289 0.370 -1.773 683 HB2 ASP 85 1HB ASP 85 7.639 1.642 -2.492 684 HB3 ASP 85 2HB ASP 85 8.486 1.843 -0.960 685 H CYS 86 H CYS 86 8.911 -0.061 0.237 686 HA CYS 86 HA CYS 86 7.386 -2.540 -0.211 687 HB2 CYS 86 1HB CYS 86 9.262 -1.685 1.964 688 HB3 CYS 86 2HB CYS 86 8.005 -2.865 2.317 689 HG CYS 86 HG CYS 86 10.880 -3.608 1.407 690 H LEU 87 H LEU 87 5.482 -2.898 0.948 691 HA LEU 87 HA LEU 87 4.255 -0.451 2.024 692 HB2 LEU 87 1HB LEU 87 3.153 -2.857 0.629 693 HB3 LEU 87 2HB LEU 87 2.114 -1.874 1.659 694 HG LEU 87 HG LEU 87 3.440 -1.129 -0.929 695 HD11 LEU 87 1HD1 LEU 87 0.766 -1.761 -0.019 696 HD12 LEU 87 2HD1 LEU 87 1.401 -1.632 -1.659 697 HD13 LEU 87 3HD1 LEU 87 0.838 -0.189 -0.816 698 HD21 LEU 87 1HD2 LEU 87 2.561 0.645 1.305 699 HD22 LEU 87 2HD2 LEU 87 2.345 1.170 -0.365 700 HD23 LEU 87 3HD2 LEU 87 3.958 0.787 0.239 701 H LEU 88 H LEU 88 3.692 -0.351 4.102 702 HA LEU 88 HA LEU 88 3.748 -2.845 5.670 703 HB2 LEU 88 1HB LEU 88 4.260 -0.067 6.709 704 HB3 LEU 88 2HB LEU 88 4.509 -1.593 7.555 705 HG LEU 88 HG LEU 88 6.067 -0.968 5.075 706 HD11 LEU 88 1HD1 LEU 88 7.774 0.108 6.356 707 HD12 LEU 88 2HD1 LEU 88 6.883 -0.147 7.856 708 HD13 LEU 88 3HD1 LEU 88 6.257 0.963 6.638 709 HD21 LEU 88 1HD2 LEU 88 7.569 -2.271 7.061 710 HD22 LEU 88 2HD2 LEU 88 6.938 -2.950 5.560 711 HD23 LEU 88 3HD2 LEU 88 5.986 -3.048 7.042 712 H VAL 89 H VAL 89 1.706 -3.463 5.994 713 HA VAL 89 HA VAL 89 -0.359 -1.450 6.489 714 HB VAL 89 HB VAL 89 -0.591 -4.424 6.011 715 HG11 VAL 89 1HG1 VAL 89 -2.472 -4.029 7.263 716 HG12 VAL 89 2HG1 VAL 89 -2.593 -2.344 6.751 717 HG13 VAL 89 3HG1 VAL 89 -3.070 -3.638 5.651 718 HG21 VAL 89 1HG2 VAL 89 0.019 -3.385 3.982 719 HG22 VAL 89 2HG2 VAL 89 -1.729 -3.602 3.898 720 HG23 VAL 89 3HG2 VAL 89 -1.054 -2.016 4.270 721 H ARG 90 H ARG 90 -0.498 -0.833 8.551 722 HA ARG 90 HA ARG 90 -0.593 -2.934 10.611 723 HB2 ARG 90 1HB ARG 90 1.555 -1.673 10.689 724 HB3 ARG 90 2HB ARG 90 0.639 -0.196 10.958 725 HG2 ARG 90 1HG ARG 90 -0.358 -1.588 12.963 726 HG3 ARG 90 2HG ARG 90 1.164 -2.467 12.795 727 HD2 ARG 90 1HD ARG 90 1.026 0.531 13.004 728 HD3 ARG 90 2HD ARG 90 1.154 -0.517 14.416 729 HE ARG 90 HE ARG 90 3.185 -1.225 12.645 730 HH11 ARG 90 2HH1 ARG 90 2.239 1.494 14.603 731 HH12 ARG 90 1HH1 ARG 90 3.861 2.056 14.837 732 HH21 ARG 90 2HH2 ARG 90 5.325 -0.495 12.946 733 HH22 ARG 90 1HH2 ARG 90 5.616 0.924 13.894 734 H TRP 91 H TRP 91 -1.942 -2.503 12.415 735 HA TRP 91 HA TRP 91 -3.666 -0.161 12.300 736 HB2 TRP 91 1HB TRP 91 -5.729 -1.476 12.342 737 HB3 TRP 91 2HB TRP 91 -4.809 -1.813 10.878 738 HD1 TRP 91 HD TRP 91 -5.839 -3.432 14.200 739 HE1 TRP 91 1HE TRP 91 -5.531 -5.979 13.997 740 HE3 TRP 91 3HE TRP 91 -3.526 -3.608 9.645 741 HZ2 TRP 91 2HZ TRP 91 -4.450 -7.820 12.150 742 HZ3 TRP 91 3HZ TRP 91 -2.887 -5.801 8.730 743 HH2 TRP 91 HH TRP 91 -3.340 -7.862 9.959 744 H SER 92 H SER 92 -4.635 0.354 14.260 745 HA SER 92 HA SER 92 -3.429 -0.940 16.572 746 HB2 SER 92 1HB SER 92 -3.369 1.506 16.454 747 HB3 SER 92 2HB SER 92 -5.129 1.559 16.367 748 HG SER 92 HG SER 92 -3.531 0.668 18.534 749 H GLY 93 H GLY 93 -4.561 -1.892 18.247 750 HA2 GLY 93 1HA GLY 93 -6.306 -2.945 19.317 751 HA3 GLY 93 2HA GLY 93 -7.404 -1.922 18.403 752 HA PRO 94 HA PRO 94 -6.483 -5.933 15.806 753 HB2 PRO 94 1HB PRO 94 -5.616 -8.046 17.273 754 HB3 PRO 94 2HB PRO 94 -4.516 -6.906 16.488 755 HG2 PRO 94 1HG PRO 94 -5.410 -7.017 19.343 756 HG3 PRO 94 2HG PRO 94 -3.788 -6.723 18.689 757 HD2 PRO 94 1HD PRO 94 -5.390 -4.724 19.567 758 HD3 PRO 94 2HD PRO 94 -4.237 -4.508 18.234 759 H SER 95 H SER 95 -7.810 -5.789 19.000 760 HA SER 95 HA SER 95 -9.984 -7.586 18.152 761 HB2 SER 95 1HB SER 95 -8.857 -7.359 20.953 762 HB3 SER 95 2HB SER 95 -10.185 -8.404 20.447 763 HG SER 95 HG SER 95 -8.797 -9.778 19.654 764 H SER 96 H SER 96 -11.500 -6.095 17.637 765 HA SER 96 HA SER 96 -12.275 -4.199 19.757 766 HB2 SER 96 1HB SER 96 -11.296 -3.054 17.788 767 HB3 SER 96 2HB SER 96 -12.535 -3.785 16.768 768 HG SER 96 HG SER 96 -14.021 -2.486 17.604 769 H GLY 97 H GLY 97 -13.555 -5.791 16.827 770 HA2 GLY 97 1HA GLY 97 -15.699 -7.038 18.175 771 HA3 GLY 97 2HA GLY 97 -16.264 -5.533 17.465 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -13.418 4.335 -18.124 2 HA2 GLY 1 1HA GLY 1 -14.100 7.210 -18.024 3 HA3 GLY 1 2HA GLY 1 -12.841 6.500 -17.024 4 H SER 2 H SER 2 -11.342 7.999 -17.906 5 HA SER 2 HA SER 2 -10.683 7.641 -20.739 6 HB2 SER 2 1HB SER 2 -10.024 9.761 -18.709 7 HB3 SER 2 2HB SER 2 -9.085 9.612 -20.194 8 HG SER 2 HG SER 2 -11.318 9.629 -21.204 9 H SER 3 H SER 3 -8.949 6.535 -21.379 10 HA SER 3 HA SER 3 -6.926 5.828 -19.355 11 HB2 SER 3 1HB SER 3 -8.241 4.140 -21.465 12 HB3 SER 3 2HB SER 3 -6.633 3.730 -20.868 13 HG SER 3 HG SER 3 -7.917 2.678 -19.494 14 H GLY 4 H GLY 4 -5.393 7.332 -19.874 15 HA2 GLY 4 1HA GLY 4 -3.932 6.855 -22.336 16 HA3 GLY 4 2HA GLY 4 -4.638 8.458 -22.191 17 H SER 5 H SER 5 -2.204 6.270 -21.012 18 HA SER 5 HA SER 5 -0.401 6.547 -19.636 19 HB2 SER 5 1HB SER 5 0.950 8.512 -20.111 20 HB3 SER 5 2HB SER 5 0.230 7.924 -21.610 21 HG SER 5 HG SER 5 0.132 10.314 -20.957 22 H SER 6 H SER 6 -3.066 7.254 -18.542 23 HA SER 6 HA SER 6 -2.411 9.359 -16.623 24 HB2 SER 6 1HB SER 6 -4.606 9.505 -17.670 25 HB3 SER 6 2HB SER 6 -4.997 7.870 -17.137 26 HG SER 6 HG SER 6 -5.232 10.193 -15.798 27 H GLY 7 H GLY 7 -0.995 8.430 -15.191 28 HA2 GLY 7 1HA GLY 7 -0.593 7.397 -13.147 29 HA3 GLY 7 2HA GLY 7 -2.166 6.621 -13.261 30 H GLN 8 H GLN 8 0.231 5.355 -12.412 31 HA GLN 8 HA GLN 8 0.329 3.215 -14.398 32 HB2 GLN 8 1HB GLN 8 2.745 3.053 -14.314 33 HB3 GLN 8 2HB GLN 8 2.282 4.668 -14.836 34 HG2 GLN 8 1HG GLN 8 2.892 5.630 -12.800 35 HG3 GLN 8 2HG GLN 8 2.911 4.075 -11.970 36 HE21 GLN 8 1HE2 GLN 8 4.991 4.300 -11.219 37 HE22 GLN 8 2HE2 GLN 8 6.374 4.233 -12.251 38 H LEU 9 H LEU 9 0.612 1.181 -13.547 39 HA LEU 9 HA LEU 9 -0.004 0.870 -10.774 40 HB2 LEU 9 1HB LEU 9 0.388 -0.922 -13.104 41 HB3 LEU 9 2HB LEU 9 0.577 -1.627 -11.500 42 HG LEU 9 HG LEU 9 -1.788 -0.418 -11.158 43 HD11 LEU 9 1HD1 LEU 9 -1.413 -0.710 -14.087 44 HD12 LEU 9 2HD1 LEU 9 -2.330 0.488 -13.173 45 HD13 LEU 9 3HD1 LEU 9 -2.986 -1.132 -13.409 46 HD21 LEU 9 1HD2 LEU 9 -1.082 -3.119 -12.237 47 HD22 LEU 9 2HD2 LEU 9 -2.768 -2.672 -11.974 48 HD23 LEU 9 3HD2 LEU 9 -1.633 -2.667 -10.623 49 H LEU 10 H LEU 10 1.301 0.423 -9.097 50 HA LEU 10 HA LEU 10 4.176 0.139 -9.664 51 HB2 LEU 10 1HB LEU 10 3.205 0.894 -6.963 52 HB3 LEU 10 2HB LEU 10 4.670 1.381 -7.814 53 HG LEU 10 HG LEU 10 1.886 2.453 -8.267 54 HD11 LEU 10 1HD1 LEU 10 2.607 4.431 -7.252 55 HD12 LEU 10 2HD1 LEU 10 4.304 3.959 -7.329 56 HD13 LEU 10 3HD1 LEU 10 3.215 3.151 -6.202 57 HD21 LEU 10 1HD2 LEU 10 4.480 2.925 -9.708 58 HD22 LEU 10 2HD2 LEU 10 3.161 4.096 -9.732 59 HD23 LEU 10 3HD2 LEU 10 2.913 2.474 -10.382 60 H THR 11 H THR 11 5.182 -1.674 -9.086 61 HA THR 11 HA THR 11 3.670 -3.760 -7.756 62 HB THR 11 HB THR 11 6.510 -3.887 -8.780 63 HG1 THR 11 1HG THR 11 5.171 -5.101 -10.513 64 HG21 THR 11 1HG2 THR 11 4.521 -5.913 -7.824 65 HG22 THR 11 2HG2 THR 11 6.229 -5.746 -7.415 66 HG23 THR 11 3HG2 THR 11 5.757 -6.363 -8.998 67 H LEU 12 H LEU 12 3.536 -3.432 -5.598 68 HA LEU 12 HA LEU 12 6.069 -3.077 -4.133 69 HB2 LEU 12 1HB LEU 12 3.336 -2.282 -3.156 70 HB3 LEU 12 2HB LEU 12 4.893 -1.901 -2.424 71 HG LEU 12 HG LEU 12 4.199 -0.881 -5.155 72 HD11 LEU 12 1HD1 LEU 12 3.155 0.044 -2.529 73 HD12 LEU 12 2HD1 LEU 12 2.383 0.035 -4.114 74 HD13 LEU 12 3HD1 LEU 12 3.602 1.251 -3.734 75 HD21 LEU 12 1HD2 LEU 12 6.397 -0.391 -4.782 76 HD22 LEU 12 2HD2 LEU 12 6.199 -0.307 -3.032 77 HD23 LEU 12 3HD2 LEU 12 5.650 1.027 -4.047 78 H LYS 13 H LYS 13 5.827 -3.880 -1.782 79 HA LYS 13 HA LYS 13 4.426 -6.474 -1.813 80 HB2 LYS 13 1HB LYS 13 7.162 -5.731 -0.822 81 HB3 LYS 13 2HB LYS 13 6.313 -7.113 -0.141 82 HG2 LYS 13 1HG LYS 13 6.170 -8.133 -2.344 83 HG3 LYS 13 2HG LYS 13 6.978 -6.733 -3.055 84 HD2 LYS 13 1HD LYS 13 8.209 -8.436 -0.895 85 HD3 LYS 13 2HD LYS 13 8.448 -8.734 -2.618 86 HE2 LYS 13 1HE LYS 13 9.271 -6.362 -2.798 87 HE3 LYS 13 2HE LYS 13 9.246 -6.298 -1.037 88 HZ1 LYS 13 1HZ LYS 13 10.726 -8.410 -2.479 89 HZ2 LYS 13 2HZ LYS 13 10.923 -7.886 -0.883 90 HZ3 LYS 13 3HZ LYS 13 11.428 -6.903 -2.164 91 H ILE 14 H ILE 14 2.923 -6.707 -0.301 92 HA ILE 14 HA ILE 14 2.734 -4.754 1.844 93 HB ILE 14 HB ILE 14 0.863 -6.946 0.953 94 HG12 ILE 14 1HG1 ILE 14 -0.568 -4.766 0.613 95 HG13 ILE 14 2HG1 ILE 14 1.005 -3.977 0.584 96 HG21 ILE 14 1HG2 ILE 14 0.758 -6.616 3.394 97 HG22 ILE 14 2HG2 ILE 14 0.421 -4.906 3.127 98 HG23 ILE 14 3HG2 ILE 14 -0.728 -6.127 2.579 99 HD11 ILE 14 1HD1 ILE 14 0.871 -6.325 -1.128 100 HD12 ILE 14 2HD1 ILE 14 -0.282 -5.064 -1.567 101 HD13 ILE 14 3HD1 ILE 14 1.440 -4.693 -1.476 102 H LYS 15 H LYS 15 3.456 -5.106 3.830 103 HA LYS 15 HA LYS 15 3.544 -7.843 4.870 104 HB2 LYS 15 1HB LYS 15 5.789 -7.443 4.056 105 HB3 LYS 15 2HB LYS 15 5.858 -5.899 4.895 106 HG2 LYS 15 1HG LYS 15 5.534 -7.248 7.038 107 HG3 LYS 15 2HG LYS 15 5.918 -8.662 6.055 108 HD2 LYS 15 1HD LYS 15 7.969 -8.011 6.991 109 HD3 LYS 15 2HD LYS 15 8.011 -7.382 5.342 110 HE2 LYS 15 1HE LYS 15 8.751 -5.565 6.552 111 HE3 LYS 15 2HE LYS 15 7.023 -5.232 6.435 112 HZ1 LYS 15 1HZ LYS 15 8.246 -5.066 8.709 113 HZ2 LYS 15 2HZ LYS 15 8.028 -6.743 8.743 114 HZ3 LYS 15 3HZ LYS 15 6.687 -5.718 8.631 115 H CYS 16 H CYS 16 2.152 -7.709 6.516 116 HA CYS 16 HA CYS 16 1.545 -5.392 7.970 117 HB2 CYS 16 1HB CYS 16 0.326 -7.728 7.772 118 HB3 CYS 16 2HB CYS 16 1.238 -8.083 9.234 119 HG CYS 16 HG CYS 16 -0.079 -5.189 9.757 120 H SER 17 H SER 17 2.886 -4.288 9.225 121 HA SER 17 HA SER 17 5.331 -5.065 10.194 122 HB2 SER 17 1HB SER 17 4.698 -2.744 10.243 123 HB3 SER 17 2HB SER 17 3.372 -3.075 11.358 124 HG SER 17 HG SER 17 4.883 -3.578 12.946 125 H ASN 18 H ASN 18 2.190 -5.811 11.458 126 HA ASN 18 HA ASN 18 3.223 -6.746 14.003 127 HB2 ASN 18 1HB ASN 18 0.901 -5.649 13.529 128 HB3 ASN 18 2HB ASN 18 0.434 -7.271 13.026 129 HD21 ASN 18 1HD2 ASN 18 -0.934 -7.762 14.648 130 HD22 ASN 18 2HD2 ASN 18 -0.469 -7.890 16.307 131 H GLN 19 H GLN 19 2.256 -8.043 10.913 132 HA GLN 19 HA GLN 19 2.725 -10.770 11.916 133 HB2 GLN 19 1HB GLN 19 1.391 -10.081 9.307 134 HB3 GLN 19 2HB GLN 19 1.339 -11.602 10.188 135 HG2 GLN 19 1HG GLN 19 0.110 -9.028 11.146 136 HG3 GLN 19 2HG GLN 19 -0.761 -10.310 10.306 137 HE21 GLN 19 1HE2 GLN 19 -1.048 -12.314 11.350 138 HE22 GLN 19 2HE2 GLN 19 -0.946 -12.451 13.069 139 HA PRO 20 HA PRO 20 6.454 -9.833 9.386 140 HB2 PRO 20 1HB PRO 20 8.138 -11.275 10.952 141 HB3 PRO 20 2HB PRO 20 7.704 -9.597 11.298 142 HG2 PRO 20 1HG PRO 20 6.609 -12.119 12.483 143 HG3 PRO 20 2HG PRO 20 7.051 -10.604 13.290 144 HD2 PRO 20 1HD PRO 20 4.488 -11.243 12.694 145 HD3 PRO 20 2HD PRO 20 5.077 -9.568 12.703 146 H GLU 21 H GLU 21 5.743 -12.958 10.960 147 HA GLU 21 HA GLU 21 7.040 -14.564 9.060 148 HB2 GLU 21 1HB GLU 21 4.760 -15.173 10.945 149 HB3 GLU 21 2HB GLU 21 5.564 -16.395 9.969 150 HG2 GLU 21 1HG GLU 21 7.205 -14.651 11.734 151 HG3 GLU 21 2HG GLU 21 6.274 -15.967 12.448 152 H ARG 22 H ARG 22 3.625 -13.621 9.345 153 HA ARG 22 HA ARG 22 2.401 -15.015 7.400 154 HB2 ARG 22 1HB ARG 22 1.398 -13.166 8.776 155 HB3 ARG 22 2HB ARG 22 2.102 -12.019 7.645 156 HG2 ARG 22 1HG ARG 22 0.663 -12.605 5.944 157 HG3 ARG 22 2HG ARG 22 0.335 -14.197 6.630 158 HD2 ARG 22 1HD ARG 22 -0.468 -11.803 8.197 159 HD3 ARG 22 2HD ARG 22 -1.420 -12.217 6.772 160 HE ARG 22 HE ARG 22 -1.298 -14.563 8.065 161 HH11 ARG 22 2HH1 ARG 22 -2.093 -11.349 9.141 162 HH12 ARG 22 1HH1 ARG 22 -3.180 -11.891 10.376 163 HH21 ARG 22 2HH2 ARG 22 -2.726 -15.289 9.688 164 HH22 ARG 22 1HH2 ARG 22 -3.539 -14.132 10.687 165 H GLN 23 H GLN 23 3.355 -15.634 5.549 166 HA GLN 23 HA GLN 23 5.251 -14.542 4.015 167 HB2 GLN 23 1HB GLN 23 4.259 -15.617 2.055 168 HB3 GLN 23 2HB GLN 23 4.147 -16.658 3.469 169 HG2 GLN 23 1HG GLN 23 2.054 -16.914 2.624 170 HG3 GLN 23 2HG GLN 23 1.780 -15.542 3.695 171 HE21 GLN 23 1HE2 GLN 23 -0.013 -15.870 1.790 172 HE22 GLN 23 2HE2 GLN 23 0.179 -14.716 0.519 173 H ILE 24 H ILE 24 5.521 -12.959 2.493 174 HA ILE 24 HA ILE 24 3.635 -10.776 2.578 175 HB ILE 24 HB ILE 24 6.204 -11.014 1.009 176 HG12 ILE 24 1HG1 ILE 24 5.746 -9.578 3.626 177 HG13 ILE 24 2HG1 ILE 24 6.401 -11.208 3.525 178 HG21 ILE 24 1HG2 ILE 24 4.130 -9.109 0.891 179 HG22 ILE 24 2HG2 ILE 24 5.486 -8.343 1.717 180 HG23 ILE 24 3HG2 ILE 24 5.712 -9.044 0.115 181 HD11 ILE 24 1HD1 ILE 24 8.413 -10.497 2.770 182 HD12 ILE 24 2HD1 ILE 24 7.732 -9.106 1.925 183 HD13 ILE 24 3HD1 ILE 24 7.939 -9.060 3.676 184 H LEU 25 H LEU 25 2.433 -9.963 0.892 185 HA LEU 25 HA LEU 25 2.090 -11.779 -1.392 186 HB2 LEU 25 1HB LEU 25 0.147 -9.609 -0.823 187 HB3 LEU 25 2HB LEU 25 -0.124 -11.227 -1.465 188 HG LEU 25 HG LEU 25 -1.142 -11.359 0.594 189 HD11 LEU 25 1HD1 LEU 25 0.954 -12.930 0.232 190 HD12 LEU 25 2HD1 LEU 25 0.013 -12.965 1.722 191 HD13 LEU 25 3HD1 LEU 25 1.534 -12.076 1.661 192 HD21 LEU 25 1HD2 LEU 25 0.138 -9.050 1.175 193 HD22 LEU 25 2HD2 LEU 25 0.974 -10.167 2.255 194 HD23 LEU 25 3HD2 LEU 25 -0.780 -9.996 2.347 195 H GLU 26 H GLU 26 1.319 -10.630 -3.437 196 HA GLU 26 HA GLU 26 2.843 -8.138 -3.817 197 HB2 GLU 26 1HB GLU 26 3.696 -10.421 -4.857 198 HB3 GLU 26 2HB GLU 26 2.495 -10.045 -6.085 199 HG2 GLU 26 1HG GLU 26 3.694 -7.702 -6.056 200 HG3 GLU 26 2HG GLU 26 5.034 -8.657 -5.424 201 H LYS 27 H LYS 27 1.484 -6.531 -4.206 202 HA LYS 27 HA LYS 27 -0.808 -7.028 -5.987 203 HB2 LYS 27 1HB LYS 27 -1.645 -6.836 -3.710 204 HB3 LYS 27 2HB LYS 27 -0.771 -5.326 -3.488 205 HG2 LYS 27 1HG LYS 27 -2.821 -4.483 -3.947 206 HG3 LYS 27 2HG LYS 27 -2.214 -4.621 -5.599 207 HD2 LYS 27 1HD LYS 27 -3.600 -6.973 -4.423 208 HD3 LYS 27 2HD LYS 27 -4.582 -5.581 -4.886 209 HE2 LYS 27 1HE LYS 27 -2.685 -7.111 -6.664 210 HE3 LYS 27 2HE LYS 27 -4.446 -7.174 -6.715 211 HZ1 LYS 27 1HZ LYS 27 -2.684 -4.905 -7.431 212 HZ2 LYS 27 2HZ LYS 27 -4.343 -4.711 -7.167 213 HZ3 LYS 27 3HZ LYS 27 -3.797 -5.714 -8.415 214 H GLN 28 H GLN 28 -1.049 -5.623 -7.624 215 HA GLN 28 HA GLN 28 0.788 -3.329 -7.710 216 HB2 GLN 28 1HB GLN 28 -0.405 -5.077 -9.836 217 HB3 GLN 28 2HB GLN 28 0.160 -3.460 -10.236 218 HG2 GLN 28 1HG GLN 28 2.375 -4.103 -9.239 219 HG3 GLN 28 2HG GLN 28 1.768 -5.756 -9.156 220 HE21 GLN 28 1HE2 GLN 28 1.550 -6.944 -11.018 221 HE22 GLN 28 2HE2 GLN 28 2.186 -6.433 -12.540 222 H LEU 29 H LEU 29 -0.050 -1.374 -7.471 223 HA LEU 29 HA LEU 29 -2.824 -0.906 -8.333 224 HB2 LEU 29 1HB LEU 29 -1.588 0.328 -5.884 225 HB3 LEU 29 2HB LEU 29 -3.268 0.425 -6.407 226 HG LEU 29 HG LEU 29 -3.206 -1.052 -4.559 227 HD11 LEU 29 1HD1 LEU 29 -4.466 -2.670 -5.463 228 HD12 LEU 29 2HD1 LEU 29 -3.198 -3.177 -6.578 229 HD13 LEU 29 3HD1 LEU 29 -4.213 -1.789 -6.970 230 HD21 LEU 29 1HD2 LEU 29 -0.658 -1.474 -4.982 231 HD22 LEU 29 2HD2 LEU 29 -1.246 -2.891 -5.852 232 HD23 LEU 29 3HD2 LEU 29 -1.637 -2.678 -4.145 233 HA PRO 30 HA PRO 30 -1.143 2.492 -10.570 234 HB2 PRO 30 1HB PRO 30 -3.399 3.977 -10.851 235 HB3 PRO 30 2HB PRO 30 -3.110 2.487 -11.758 236 HG2 PRO 30 1HG PRO 30 -4.753 2.915 -9.293 237 HG3 PRO 30 2HG PRO 30 -5.129 1.953 -10.735 238 HD2 PRO 30 1HD PRO 30 -4.228 0.842 -8.436 239 HD3 PRO 30 2HD PRO 30 -3.845 0.172 -10.035 240 H ASP 31 H ASP 31 0.098 4.048 -9.755 241 HA ASP 31 HA ASP 31 0.134 5.122 -7.284 242 HB2 ASP 31 1HB ASP 31 1.136 7.213 -8.368 243 HB3 ASP 31 2HB ASP 31 1.924 5.677 -8.716 244 H SER 32 H SER 32 -2.133 5.880 -9.790 245 HA SER 32 HA SER 32 -3.069 8.355 -8.805 246 HB2 SER 32 1HB SER 32 -3.534 7.495 -11.092 247 HB3 SER 32 2HB SER 32 -4.609 6.286 -10.392 248 HG SER 32 HG SER 32 -6.083 7.767 -10.487 249 H MET 33 H MET 33 -4.157 5.020 -8.272 250 HA MET 33 HA MET 33 -6.439 5.316 -6.857 251 HB2 MET 33 1HB MET 33 -4.948 3.207 -7.328 252 HB3 MET 33 2HB MET 33 -4.347 3.512 -5.704 253 HG2 MET 33 1HG MET 33 -6.308 2.935 -4.714 254 HG3 MET 33 2HG MET 33 -7.282 3.449 -6.090 255 HE1 MET 33 1HE MET 33 -4.754 0.195 -5.093 256 HE2 MET 33 2HE MET 33 -5.959 0.947 -4.046 257 HE3 MET 33 3HE MET 33 -6.306 -0.600 -4.821 258 H THR 34 H THR 34 -7.090 6.255 -5.028 259 HA THR 34 HA THR 34 -5.257 7.820 -3.487 260 HB THR 34 HB THR 34 -7.282 8.303 -2.063 261 HG1 THR 34 1HG THR 34 -9.279 7.537 -2.862 262 HG21 THR 34 1HG2 THR 34 -6.553 9.339 -4.452 263 HG22 THR 34 2HG2 THR 34 -7.904 9.941 -3.493 264 HG23 THR 34 3HG2 THR 34 -8.196 8.816 -4.819 265 H VAL 35 H VAL 35 -4.456 7.474 -1.470 266 HA VAL 35 HA VAL 35 -3.852 5.004 -0.525 267 HB VAL 35 HB VAL 35 -4.279 7.563 1.000 268 HG11 VAL 35 1HG1 VAL 35 -2.901 6.297 2.798 269 HG12 VAL 35 2HG1 VAL 35 -4.648 6.055 2.718 270 HG13 VAL 35 3HG1 VAL 35 -3.557 4.850 2.032 271 HG21 VAL 35 1HG2 VAL 35 -2.015 6.172 -0.299 272 HG22 VAL 35 2HG2 VAL 35 -2.344 7.897 -0.135 273 HG23 VAL 35 3HG2 VAL 35 -1.673 6.995 1.223 274 H GLN 36 H GLN 36 -6.851 6.742 -0.062 275 HA GLN 36 HA GLN 36 -7.924 5.197 2.027 276 HB2 GLN 36 1HB GLN 36 -8.741 7.429 0.878 277 HB3 GLN 36 2HB GLN 36 -9.701 6.322 -0.094 278 HG2 GLN 36 1HG GLN 36 -10.803 5.469 1.850 279 HG3 GLN 36 2HG GLN 36 -9.737 6.387 2.912 280 HE21 GLN 36 1HE2 GLN 36 -10.377 8.328 3.549 281 HE22 GLN 36 2HE2 GLN 36 -11.691 9.226 2.877 282 H LYS 37 H LYS 37 -8.200 4.875 -1.496 283 HA LYS 37 HA LYS 37 -9.946 2.696 -1.552 284 HB2 LYS 37 1HB LYS 37 -7.769 3.509 -3.483 285 HB3 LYS 37 2HB LYS 37 -8.949 2.248 -3.815 286 HG2 LYS 37 1HG LYS 37 -9.944 4.932 -3.019 287 HG3 LYS 37 2HG LYS 37 -9.298 4.718 -4.647 288 HD2 LYS 37 1HD LYS 37 -11.371 2.872 -3.494 289 HD3 LYS 37 2HD LYS 37 -11.805 4.364 -4.330 290 HE2 LYS 37 1HE LYS 37 -9.969 2.363 -5.598 291 HE3 LYS 37 2HE LYS 37 -11.719 2.157 -5.671 292 HZ1 LYS 37 1HZ LYS 37 -10.474 3.435 -7.539 293 HZ2 LYS 37 2HZ LYS 37 -10.544 4.732 -6.456 294 HZ3 LYS 37 3HZ LYS 37 -11.972 3.998 -6.988 295 H VAL 38 H VAL 38 -6.391 2.758 -1.564 296 HA VAL 38 HA VAL 38 -5.878 0.053 -1.772 297 HB VAL 38 HB VAL 38 -4.369 2.084 -0.120 298 HG11 VAL 38 1HG1 VAL 38 -3.276 0.281 0.641 299 HG12 VAL 38 2HG1 VAL 38 -3.940 -0.770 -0.611 300 HG13 VAL 38 3HG1 VAL 38 -2.540 0.243 -0.961 301 HG21 VAL 38 1HG2 VAL 38 -4.714 2.498 -2.613 302 HG22 VAL 38 2HG2 VAL 38 -3.053 2.509 -2.019 303 HG23 VAL 38 3HG2 VAL 38 -3.675 1.096 -2.871 304 H LYS 39 H LYS 39 -6.156 1.910 1.263 305 HA LYS 39 HA LYS 39 -5.911 -0.120 3.084 306 HB2 LYS 39 1HB LYS 39 -7.429 2.447 3.070 307 HB3 LYS 39 2HB LYS 39 -7.733 1.315 4.381 308 HG2 LYS 39 1HG LYS 39 -5.665 1.593 5.290 309 HG3 LYS 39 2HG LYS 39 -4.910 1.964 3.739 310 HD2 LYS 39 1HD LYS 39 -6.229 4.138 3.791 311 HD3 LYS 39 2HD LYS 39 -6.578 3.764 5.480 312 HE2 LYS 39 1HE LYS 39 -3.982 3.451 5.629 313 HE3 LYS 39 2HE LYS 39 -3.980 4.456 4.181 314 HZ1 LYS 39 1HZ LYS 39 -3.914 6.089 5.713 315 HZ2 LYS 39 2HZ LYS 39 -4.636 5.158 6.927 316 HZ3 LYS 39 3HZ LYS 39 -5.592 5.873 5.728 317 H GLY 40 H GLY 40 -8.647 0.610 1.034 318 HA2 GLY 40 1HA GLY 40 -10.505 -1.077 2.413 319 HA3 GLY 40 2HA GLY 40 -10.711 -0.395 0.806 320 H LEU 41 H LEU 41 -8.200 -1.550 -0.179 321 HA LEU 41 HA LEU 41 -9.181 -3.919 -1.270 322 HB2 LEU 41 1HB LEU 41 -7.451 -2.889 -2.441 323 HB3 LEU 41 2HB LEU 41 -6.434 -2.756 -1.008 324 HG LEU 41 HG LEU 41 -6.450 -5.392 -1.178 325 HD11 LEU 41 1HD1 LEU 41 -7.788 -5.907 -2.959 326 HD12 LEU 41 2HD1 LEU 41 -6.223 -5.799 -3.765 327 HD13 LEU 41 3HD1 LEU 41 -7.354 -4.449 -3.851 328 HD21 LEU 41 1HD2 LEU 41 -4.774 -3.301 -2.408 329 HD22 LEU 41 2HD2 LEU 41 -4.515 -4.945 -2.991 330 HD23 LEU 41 3HD2 LEU 41 -4.346 -4.581 -1.273 331 H LEU 42 H LEU 42 -6.881 -3.457 1.404 332 HA LEU 42 HA LEU 42 -6.784 -6.285 1.962 333 HB2 LEU 42 1HB LEU 42 -5.731 -3.980 3.592 334 HB3 LEU 42 2HB LEU 42 -5.313 -5.681 3.788 335 HG LEU 42 HG LEU 42 -4.747 -4.369 1.173 336 HD11 LEU 42 1HD1 LEU 42 -3.566 -3.599 3.746 337 HD12 LEU 42 2HD1 LEU 42 -3.593 -2.745 2.204 338 HD13 LEU 42 3HD1 LEU 42 -2.403 -4.015 2.487 339 HD21 LEU 42 1HD2 LEU 42 -2.786 -6.099 2.498 340 HD22 LEU 42 2HD2 LEU 42 -3.414 -6.144 0.850 341 HD23 LEU 42 3HD2 LEU 42 -4.339 -6.868 2.167 342 H SER 43 H SER 43 -8.337 -3.430 3.310 343 HA SER 43 HA SER 43 -9.217 -4.155 5.740 344 HB2 SER 43 1HB SER 43 -10.018 -2.089 5.020 345 HB3 SER 43 2HB SER 43 -10.637 -2.744 3.504 346 HG SER 43 HG SER 43 -11.746 -2.880 6.087 347 H ARG 44 H ARG 44 -10.546 -5.344 2.683 348 HA ARG 44 HA ARG 44 -12.545 -6.963 3.948 349 HB2 ARG 44 1HB ARG 44 -11.487 -6.876 1.121 350 HB3 ARG 44 2HB ARG 44 -12.790 -7.938 1.636 351 HG2 ARG 44 1HG ARG 44 -12.961 -4.984 2.074 352 HG3 ARG 44 2HG ARG 44 -13.379 -5.701 0.517 353 HD2 ARG 44 1HD ARG 44 -14.999 -7.167 1.662 354 HD3 ARG 44 2HD ARG 44 -14.608 -6.375 3.188 355 HE ARG 44 HE ARG 44 -16.352 -5.405 1.160 356 HH11 ARG 44 2HH1 ARG 44 -14.073 -4.395 3.590 357 HH12 ARG 44 1HH1 ARG 44 -14.794 -2.834 3.804 358 HH21 ARG 44 2HH2 ARG 44 -17.310 -3.353 1.432 359 HH22 ARG 44 1HH2 ARG 44 -16.636 -2.243 2.577 360 H LEU 45 H LEU 45 -9.304 -7.476 2.684 361 HA LEU 45 HA LEU 45 -9.278 -10.281 2.739 362 HB2 LEU 45 1HB LEU 45 -7.230 -8.136 2.745 363 HB3 LEU 45 2HB LEU 45 -6.713 -9.753 3.215 364 HG LEU 45 HG LEU 45 -7.896 -10.422 0.955 365 HD11 LEU 45 1HD1 LEU 45 -7.678 -8.730 -0.754 366 HD12 LEU 45 2HD1 LEU 45 -7.074 -7.570 0.428 367 HD13 LEU 45 3HD1 LEU 45 -8.738 -8.145 0.528 368 HD21 LEU 45 1HD2 LEU 45 -5.352 -9.134 0.340 369 HD22 LEU 45 2HD2 LEU 45 -5.808 -10.837 0.274 370 HD23 LEU 45 3HD2 LEU 45 -5.306 -10.116 1.804 371 H LEU 46 H LEU 46 -7.938 -8.002 5.137 372 HA LEU 46 HA LEU 46 -7.816 -10.142 7.107 373 HB2 LEU 46 1HB LEU 46 -6.974 -7.252 7.277 374 HB3 LEU 46 2HB LEU 46 -6.697 -8.471 8.519 375 HG LEU 46 HG LEU 46 -5.598 -8.871 5.766 376 HD11 LEU 46 1HD1 LEU 46 -3.471 -7.832 6.968 377 HD12 LEU 46 2HD1 LEU 46 -4.716 -6.882 7.778 378 HD13 LEU 46 3HD1 LEU 46 -4.589 -6.853 6.019 379 HD21 LEU 46 1HD2 LEU 46 -4.390 -9.598 8.414 380 HD22 LEU 46 2HD2 LEU 46 -4.079 -10.298 6.825 381 HD23 LEU 46 3HD2 LEU 46 -5.611 -10.611 7.644 382 H LYS 47 H LYS 47 -10.159 -8.143 6.041 383 HA LYS 47 HA LYS 47 -12.163 -7.442 6.857 384 HB2 LYS 47 1HB LYS 47 -11.488 -9.325 9.125 385 HB3 LYS 47 2HB LYS 47 -13.073 -8.626 8.825 386 HG2 LYS 47 1HG LYS 47 -13.368 -10.641 7.828 387 HG3 LYS 47 2HG LYS 47 -12.714 -9.746 6.454 388 HD2 LYS 47 1HD LYS 47 -10.679 -10.805 6.560 389 HD3 LYS 47 2HD LYS 47 -10.819 -11.133 8.289 390 HE2 LYS 47 1HE LYS 47 -12.545 -12.470 6.216 391 HE3 LYS 47 2HE LYS 47 -11.002 -13.134 6.751 392 HZ1 LYS 47 1HZ LYS 47 -12.867 -14.092 7.961 393 HZ2 LYS 47 2HZ LYS 47 -13.326 -12.560 8.509 394 HZ3 LYS 47 3HZ LYS 47 -11.853 -13.228 9.003 395 H VAL 48 H VAL 48 -9.759 -5.956 7.501 396 HA VAL 48 HA VAL 48 -10.380 -4.856 10.149 397 HB VAL 48 HB VAL 48 -7.986 -4.385 8.366 398 HG11 VAL 48 1HG1 VAL 48 -7.106 -2.951 9.948 399 HG12 VAL 48 2HG1 VAL 48 -8.816 -2.519 9.980 400 HG13 VAL 48 3HG1 VAL 48 -8.145 -3.563 11.234 401 HG21 VAL 48 1HG2 VAL 48 -7.380 -6.382 9.184 402 HG22 VAL 48 2HG2 VAL 48 -7.074 -5.504 10.683 403 HG23 VAL 48 3HG2 VAL 48 -8.607 -6.345 10.450 404 HA PRO 49 HA PRO 49 -12.392 -1.367 8.347 405 HB2 PRO 49 1HB PRO 49 -12.244 0.309 10.478 406 HB3 PRO 49 2HB PRO 49 -13.358 -1.061 10.409 407 HG2 PRO 49 1HG PRO 49 -10.700 -0.848 11.769 408 HG3 PRO 49 2HG PRO 49 -12.205 -1.574 12.362 409 HD2 PRO 49 1HD PRO 49 -10.174 -3.053 11.353 410 HD3 PRO 49 2HD PRO 49 -11.876 -3.527 11.183 411 H VAL 50 H VAL 50 -11.681 0.200 7.042 412 HA VAL 50 HA VAL 50 -9.013 0.871 6.711 413 HB VAL 50 HB VAL 50 -11.503 2.376 5.923 414 HG11 VAL 50 1HG1 VAL 50 -9.708 3.989 6.115 415 HG12 VAL 50 2HG1 VAL 50 -8.644 2.957 5.158 416 HG13 VAL 50 3HG1 VAL 50 -10.066 3.690 4.414 417 HG21 VAL 50 1HG2 VAL 50 -10.202 0.082 4.911 418 HG22 VAL 50 2HG2 VAL 50 -11.580 0.944 4.227 419 HG23 VAL 50 3HG2 VAL 50 -9.940 1.386 3.752 420 H SER 51 H SER 51 -11.301 2.068 8.990 421 HA SER 51 HA SER 51 -10.185 4.593 9.535 422 HB2 SER 51 1HB SER 51 -12.423 3.888 10.319 423 HB3 SER 51 2HB SER 51 -11.662 2.751 11.431 424 HG SER 51 HG SER 51 -10.999 5.489 11.487 425 H GLU 52 H GLU 52 -9.634 1.421 11.041 426 HA GLU 52 HA GLU 52 -7.557 2.466 12.751 427 HB2 GLU 52 1HB GLU 52 -8.540 -0.344 12.240 428 HB3 GLU 52 2HB GLU 52 -7.270 0.053 13.388 429 HG2 GLU 52 1HG GLU 52 -10.161 0.856 13.494 430 HG3 GLU 52 2HG GLU 52 -9.283 -0.187 14.610 431 H LEU 53 H LEU 53 -7.781 0.640 9.761 432 HA LEU 53 HA LEU 53 -5.278 -0.388 9.447 433 HB2 LEU 53 1HB LEU 53 -7.184 0.867 7.521 434 HB3 LEU 53 2HB LEU 53 -5.593 0.353 6.963 435 HG LEU 53 HG LEU 53 -7.699 -1.421 8.200 436 HD11 LEU 53 1HD1 LEU 53 -6.683 -1.720 5.422 437 HD12 LEU 53 2HD1 LEU 53 -7.869 -0.459 5.754 438 HD13 LEU 53 3HD1 LEU 53 -8.252 -2.144 6.106 439 HD21 LEU 53 1HD2 LEU 53 -6.135 -3.235 7.426 440 HD22 LEU 53 2HD2 LEU 53 -5.578 -2.290 8.807 441 HD23 LEU 53 3HD2 LEU 53 -4.915 -1.981 7.201 442 H LEU 54 H LEU 54 -3.271 0.328 8.814 443 HA LEU 54 HA LEU 54 -2.897 3.210 8.432 444 HB2 LEU 54 1HB LEU 54 -1.464 1.482 10.435 445 HB3 LEU 54 2HB LEU 54 -0.854 3.048 9.904 446 HG LEU 54 HG LEU 54 -3.543 2.691 11.212 447 HD11 LEU 54 1HD1 LEU 54 -2.174 2.015 12.936 448 HD12 LEU 54 2HD1 LEU 54 -2.222 3.760 13.185 449 HD13 LEU 54 3HD1 LEU 54 -0.825 3.019 12.404 450 HD21 LEU 54 1HD2 LEU 54 -1.790 5.123 10.898 451 HD22 LEU 54 2HD2 LEU 54 -3.424 5.066 11.559 452 HD23 LEU 54 3HD2 LEU 54 -3.152 4.728 9.849 453 H LEU 55 H LEU 55 -2.013 3.370 6.481 454 HA LEU 55 HA LEU 55 -0.225 1.281 5.509 455 HB2 LEU 55 1HB LEU 55 -1.878 3.400 4.292 456 HB3 LEU 55 2HB LEU 55 -0.360 3.041 3.472 457 HG LEU 55 HG LEU 55 -2.267 1.825 2.510 458 HD11 LEU 55 1HD1 LEU 55 -1.047 -0.035 2.087 459 HD12 LEU 55 2HD1 LEU 55 -0.684 -0.323 3.788 460 HD13 LEU 55 3HD1 LEU 55 0.207 0.908 2.893 461 HD21 LEU 55 1HD2 LEU 55 -3.321 1.615 4.900 462 HD22 LEU 55 2HD2 LEU 55 -2.409 0.105 4.942 463 HD23 LEU 55 3HD2 LEU 55 -3.611 0.376 3.678 464 H SER 56 H SER 56 1.918 1.494 5.369 465 HA SER 56 HA SER 56 3.119 4.159 5.413 466 HB2 SER 56 1HB SER 56 4.816 3.205 7.122 467 HB3 SER 56 2HB SER 56 3.241 3.728 7.717 468 HG SER 56 HG SER 56 2.767 1.317 7.185 469 H TYR 57 H TYR 57 4.459 4.251 3.750 470 HA TYR 57 HA TYR 57 5.648 1.785 2.719 471 HB2 TYR 57 1HB TYR 57 5.773 2.800 0.659 472 HB3 TYR 57 2HB TYR 57 4.393 3.657 1.336 473 HD1 TYR 57 1HD TYR 57 4.949 5.887 2.586 474 HD2 TYR 57 2HD TYR 57 7.540 4.015 -0.222 475 HE1 TYR 57 1HE TYR 57 6.099 8.031 2.227 476 HE2 TYR 57 2HE TYR 57 8.698 6.154 -0.588 477 HH TYR 57 HH TYR 57 8.496 8.431 -0.286 478 H GLU 58 H GLU 58 7.827 1.448 2.556 479 HA GLU 58 HA GLU 58 9.520 3.324 4.056 480 HB2 GLU 58 1HB GLU 58 9.257 0.832 4.707 481 HB3 GLU 58 2HB GLU 58 10.301 0.515 3.329 482 HG2 GLU 58 1HG GLU 58 12.013 1.979 4.321 483 HG3 GLU 58 2HG GLU 58 10.972 2.206 5.726 484 H SER 59 H SER 59 10.840 4.578 2.935 485 HA SER 59 HA SER 59 11.228 4.289 0.138 486 HB2 SER 59 1HB SER 59 12.784 6.198 0.378 487 HB3 SER 59 2HB SER 59 11.253 6.489 1.203 488 HG SER 59 HG SER 59 13.310 5.325 2.679 489 H SER 60 H SER 60 12.633 3.064 -0.916 490 HA SER 60 HA SER 60 14.363 1.256 0.252 491 HB2 SER 60 1HB SER 60 15.392 1.025 -1.982 492 HB3 SER 60 2HB SER 60 13.632 1.073 -2.078 493 HG SER 60 HG SER 60 15.488 3.106 -2.722 494 H LYS 61 H LYS 61 15.222 4.370 -1.252 495 HA LYS 61 HA LYS 61 17.936 4.362 -0.788 496 HB2 LYS 61 1HB LYS 61 17.803 6.830 -0.817 497 HB3 LYS 61 2HB LYS 61 16.866 6.092 -2.109 498 HG2 LYS 61 1HG LYS 61 14.846 6.664 -1.154 499 HG3 LYS 61 2HG LYS 61 15.535 6.814 0.464 500 HD2 LYS 61 1HD LYS 61 16.876 8.780 -0.538 501 HD3 LYS 61 2HD LYS 61 15.687 8.728 -1.841 502 HE2 LYS 61 1HE LYS 61 14.865 10.311 -0.306 503 HE3 LYS 61 2HE LYS 61 13.915 8.853 -0.027 504 HZ1 LYS 61 1HZ LYS 61 16.335 9.397 1.569 505 HZ2 LYS 61 2HZ LYS 61 15.008 8.421 1.951 506 HZ3 LYS 61 3HZ LYS 61 14.855 10.105 1.983 507 H MET 62 H MET 62 15.329 4.978 1.461 508 HA MET 62 HA MET 62 17.321 5.170 3.620 509 HB2 MET 62 1HB MET 62 16.124 7.351 3.061 510 HB3 MET 62 2HB MET 62 14.662 6.589 3.673 511 HG2 MET 62 1HG MET 62 15.483 6.485 5.852 512 HG3 MET 62 2HG MET 62 17.148 6.737 5.332 513 HE1 MET 62 1HE MET 62 17.967 8.256 6.569 514 HE2 MET 62 2HE MET 62 17.772 9.995 6.354 515 HE3 MET 62 3HE MET 62 16.858 9.153 7.606 516 HA PRO 63 HA PRO 63 14.620 1.551 4.462 517 HB2 PRO 63 1HB PRO 63 16.595 0.081 5.604 518 HB3 PRO 63 2HB PRO 63 16.330 0.141 3.858 519 HG2 PRO 63 1HG PRO 63 18.322 1.630 5.524 520 HG3 PRO 63 2HG PRO 63 18.548 0.834 3.956 521 HD2 PRO 63 1HD PRO 63 18.210 3.510 4.197 522 HD3 PRO 63 2HD PRO 63 17.632 2.598 2.788 523 H GLY 64 H GLY 64 13.901 0.674 6.467 524 HA2 GLY 64 1HA GLY 64 13.660 0.577 8.781 525 HA3 GLY 64 2HA GLY 64 15.000 1.703 8.941 526 H ARG 65 H ARG 65 14.090 3.820 7.402 527 HA ARG 65 HA ARG 65 12.187 4.986 9.221 528 HB2 ARG 65 1HB ARG 65 14.241 6.093 8.029 529 HB3 ARG 65 2HB ARG 65 13.106 6.331 6.707 530 HG2 ARG 65 1HG ARG 65 11.603 7.338 8.618 531 HG3 ARG 65 2HG ARG 65 13.165 7.570 9.406 532 HD2 ARG 65 1HD ARG 65 12.539 9.552 8.146 533 HD3 ARG 65 2HD ARG 65 13.967 8.795 7.442 534 HE ARG 65 HE ARG 65 11.889 7.736 6.036 535 HH11 ARG 65 2HH1 ARG 65 12.963 10.970 6.748 536 HH12 ARG 65 1HH1 ARG 65 12.352 11.638 5.271 537 HH21 ARG 65 2HH2 ARG 65 11.080 8.604 4.088 538 HH22 ARG 65 1HH2 ARG 65 11.280 10.291 3.759 539 H GLU 66 H GLU 66 10.085 4.605 9.008 540 HA GLU 66 HA GLU 66 8.968 4.311 6.302 541 HB2 GLU 66 1HB GLU 66 7.076 3.161 7.393 542 HB3 GLU 66 2HB GLU 66 8.610 2.358 7.697 543 HG2 GLU 66 1HG GLU 66 7.401 4.296 9.641 544 HG3 GLU 66 2HG GLU 66 7.016 2.576 9.651 545 H ILE 67 H ILE 67 7.101 5.431 5.716 546 HA ILE 67 HA ILE 67 6.482 7.750 7.425 547 HB ILE 67 HB ILE 67 6.316 7.485 4.422 548 HG12 ILE 67 1HG1 ILE 67 7.909 9.548 4.725 549 HG13 ILE 67 2HG1 ILE 67 8.177 8.865 6.325 550 HG21 ILE 67 1HG2 ILE 67 5.219 9.510 6.306 551 HG22 ILE 67 2HG2 ILE 67 5.849 10.054 4.752 552 HG23 ILE 67 3HG2 ILE 67 4.539 8.875 4.808 553 HD11 ILE 67 1HD1 ILE 67 8.545 6.675 4.814 554 HD12 ILE 67 2HD1 ILE 67 9.075 7.927 3.690 555 HD13 ILE 67 3HD1 ILE 67 9.837 7.784 5.273 556 H GLU 68 H GLU 68 4.541 7.750 8.328 557 HA GLU 68 HA GLU 68 2.531 5.853 7.537 558 HB2 GLU 68 1HB GLU 68 1.217 7.280 9.340 559 HB3 GLU 68 2HB GLU 68 2.446 6.114 9.809 560 HG2 GLU 68 1HG GLU 68 3.305 8.906 9.305 561 HG3 GLU 68 2HG GLU 68 2.394 8.570 10.776 562 H LEU 69 H LEU 69 1.237 6.188 5.862 563 HA LEU 69 HA LEU 69 0.785 8.794 4.765 564 HB2 LEU 69 1HB LEU 69 -0.752 6.314 4.065 565 HB3 LEU 69 2HB LEU 69 -0.410 7.713 3.051 566 HG LEU 69 HG LEU 69 1.663 5.726 3.974 567 HD11 LEU 69 1HD1 LEU 69 1.578 4.782 1.772 568 HD12 LEU 69 2HD1 LEU 69 0.370 5.962 1.263 569 HD13 LEU 69 3HD1 LEU 69 -0.044 4.739 2.465 570 HD21 LEU 69 1HD2 LEU 69 2.172 8.220 3.273 571 HD22 LEU 69 2HD2 LEU 69 1.994 7.552 1.651 572 HD23 LEU 69 3HD2 LEU 69 3.203 6.887 2.751 573 H GLU 70 H GLU 70 -0.304 10.058 6.235 574 HA GLU 70 HA GLU 70 -2.763 9.111 7.438 575 HB2 GLU 70 1HB GLU 70 -2.821 11.438 8.413 576 HB3 GLU 70 2HB GLU 70 -1.419 10.471 8.850 577 HG2 GLU 70 1HG GLU 70 -1.209 12.262 6.492 578 HG3 GLU 70 2HG GLU 70 -1.193 12.983 8.101 579 H ASN 71 H ASN 71 -1.829 10.690 4.585 580 HA ASN 71 HA ASN 71 -4.364 12.065 4.216 581 HB2 ASN 71 1HB ASN 71 -1.894 11.837 2.490 582 HB3 ASN 71 2HB ASN 71 -3.347 12.698 1.993 583 HD21 ASN 71 1HD2 ASN 71 -3.301 14.788 2.330 584 HD22 ASN 71 2HD2 ASN 71 -2.405 15.606 3.560 585 H ASP 72 H ASP 72 -5.991 10.650 3.880 586 HA ASP 72 HA ASP 72 -5.656 8.302 2.245 587 HB2 ASP 72 1HB ASP 72 -8.303 8.377 2.585 588 HB3 ASP 72 2HB ASP 72 -7.211 7.821 3.851 589 H LEU 73 H LEU 73 -7.133 11.481 1.913 590 HA LEU 73 HA LEU 73 -8.366 10.956 -0.601 591 HB2 LEU 73 1HB LEU 73 -7.585 13.600 0.619 592 HB3 LEU 73 2HB LEU 73 -8.710 13.361 -0.716 593 HG LEU 73 HG LEU 73 -9.158 12.350 2.090 594 HD11 LEU 73 1HD1 LEU 73 -9.748 14.411 2.648 595 HD12 LEU 73 2HD1 LEU 73 -11.004 14.357 1.411 596 HD13 LEU 73 3HD1 LEU 73 -9.406 14.991 1.018 597 HD21 LEU 73 1HD2 LEU 73 -11.577 12.416 1.035 598 HD22 LEU 73 2HD2 LEU 73 -10.518 11.021 0.825 599 HD23 LEU 73 3HD2 LEU 73 -10.671 12.215 -0.465 600 H GLN 74 H GLN 74 -5.163 11.356 0.291 601 HA GLN 74 HA GLN 74 -4.356 12.517 -2.267 602 HB2 GLN 74 1HB GLN 74 -2.817 11.874 0.248 603 HB3 GLN 74 2HB GLN 74 -2.053 12.441 -1.230 604 HG2 GLN 74 1HG GLN 74 -4.152 13.936 0.325 605 HG3 GLN 74 2HG GLN 74 -2.416 14.237 0.396 606 HE21 GLN 74 1HE2 GLN 74 -3.634 16.382 -0.203 607 HE22 GLN 74 2HE2 GLN 74 -3.641 16.744 -1.892 608 HA PRO 75 HA PRO 75 -3.422 8.601 -4.049 609 HB2 PRO 75 1HB PRO 75 -1.638 9.410 -5.929 610 HB3 PRO 75 2HB PRO 75 -3.376 9.701 -6.065 611 HG2 PRO 75 1HG PRO 75 -1.211 11.556 -5.153 612 HG3 PRO 75 2HG PRO 75 -2.586 11.883 -6.224 613 HD2 PRO 75 1HD PRO 75 -2.576 12.587 -3.609 614 HD3 PRO 75 2HD PRO 75 -4.059 12.121 -4.467 615 H LEU 76 H LEU 76 -1.319 7.425 -4.874 616 HA LEU 76 HA LEU 76 0.384 7.153 -2.586 617 HB2 LEU 76 1HB LEU 76 0.192 5.818 -5.255 618 HB3 LEU 76 2HB LEU 76 1.595 5.542 -4.226 619 HG LEU 76 HG LEU 76 0.105 3.734 -3.873 620 HD11 LEU 76 1HD1 LEU 76 -0.748 5.176 -1.483 621 HD12 LEU 76 2HD1 LEU 76 0.971 5.346 -1.840 622 HD13 LEU 76 3HD1 LEU 76 0.265 3.741 -1.645 623 HD21 LEU 76 1HD2 LEU 76 -2.183 3.865 -3.594 624 HD22 LEU 76 2HD2 LEU 76 -1.883 5.159 -4.755 625 HD23 LEU 76 3HD2 LEU 76 -2.128 5.542 -3.050 626 H GLN 77 H GLN 77 0.685 8.533 -5.806 627 HA GLN 77 HA GLN 77 3.459 8.909 -5.853 628 HB2 GLN 77 1HB GLN 77 2.243 9.185 -7.880 629 HB3 GLN 77 2HB GLN 77 1.204 10.413 -7.171 630 HG2 GLN 77 1HG GLN 77 3.106 11.937 -7.019 631 HG3 GLN 77 2HG GLN 77 4.146 10.706 -7.733 632 HE21 GLN 77 1HE2 GLN 77 1.150 12.490 -8.358 633 HE22 GLN 77 2HE2 GLN 77 1.391 12.642 -10.061 634 H PHE 78 H PHE 78 0.884 10.788 -4.393 635 HA PHE 78 HA PHE 78 2.160 13.185 -3.899 636 HB2 PHE 78 1HB PHE 78 -0.183 12.889 -3.383 637 HB3 PHE 78 2HB PHE 78 0.197 11.681 -2.160 638 HD1 PHE 78 2HD PHE 78 1.259 15.174 -2.955 639 HD2 PHE 78 1HD PHE 78 -0.043 12.396 -0.004 640 HE1 PHE 78 2HE PHE 78 1.364 16.943 -1.248 641 HE2 PHE 78 1HE PHE 78 0.059 14.161 1.707 642 HZ PHE 78 HZ PHE 78 0.765 16.438 1.087 643 H TYR 79 H TYR 79 2.642 10.089 -2.392 644 HA TYR 79 HA TYR 79 4.382 11.274 -0.353 645 HB2 TYR 79 1HB TYR 79 3.140 8.549 -0.668 646 HB3 TYR 79 2HB TYR 79 4.441 8.843 0.481 647 HD1 TYR 79 2HD TYR 79 4.070 10.218 2.457 648 HD2 TYR 79 1HD TYR 79 0.923 9.463 -0.306 649 HE1 TYR 79 2HE TYR 79 2.433 11.010 4.113 650 HE2 TYR 79 1HE TYR 79 -0.722 10.254 1.343 651 HH TYR 79 HH TYR 79 0.065 12.017 4.024 652 H SER 80 H SER 80 5.068 11.090 -3.222 653 HA SER 80 HA SER 80 6.801 10.496 -4.580 654 HB2 SER 80 1HB SER 80 7.880 11.614 -2.435 655 HB3 SER 80 2HB SER 80 8.530 9.992 -2.194 656 HG SER 80 HG SER 80 9.472 11.850 -3.776 657 H VAL 81 H VAL 81 5.065 8.350 -3.470 658 HA VAL 81 HA VAL 81 6.765 6.053 -3.124 659 HB VAL 81 HB VAL 81 3.779 6.263 -3.522 660 HG11 VAL 81 1HG1 VAL 81 5.572 3.903 -3.080 661 HG12 VAL 81 2HG1 VAL 81 3.890 3.883 -2.545 662 HG13 VAL 81 3HG1 VAL 81 4.271 4.108 -4.253 663 HG21 VAL 81 1HG2 VAL 81 5.097 7.098 -1.378 664 HG22 VAL 81 2HG2 VAL 81 3.542 6.277 -1.253 665 HG23 VAL 81 3HG2 VAL 81 5.036 5.381 -0.980 666 H GLU 82 H GLU 82 7.354 4.560 -4.604 667 HA GLU 82 HA GLU 82 6.174 4.675 -7.283 668 HB2 GLU 82 1HB GLU 82 8.430 4.535 -8.304 669 HB3 GLU 82 2HB GLU 82 8.148 6.053 -7.463 670 HG2 GLU 82 1HG GLU 82 9.427 5.242 -5.553 671 HG3 GLU 82 2HG GLU 82 9.700 3.711 -6.382 672 H ASN 83 H ASN 83 7.060 2.791 -8.647 673 HA ASN 83 HA ASN 83 6.363 0.386 -7.423 674 HB2 ASN 83 1HB ASN 83 7.393 -0.686 -9.455 675 HB3 ASN 83 2HB ASN 83 6.217 0.576 -9.808 676 HD21 ASN 83 1HD2 ASN 83 6.845 2.376 -10.878 677 HD22 ASN 83 2HD2 ASN 83 8.442 2.630 -11.486 678 H GLY 84 H GLY 84 7.503 -1.289 -6.527 679 HA2 GLY 84 1HA GLY 84 9.555 -2.476 -6.110 680 HA3 GLY 84 2HA GLY 84 10.418 -0.954 -6.273 681 H ASP 85 H ASP 85 8.712 0.613 -4.622 682 HA ASP 85 HA ASP 85 9.893 0.365 -2.156 683 HB2 ASP 85 1HB ASP 85 7.251 1.561 -2.969 684 HB3 ASP 85 2HB ASP 85 7.825 1.635 -1.305 685 H CYS 86 H CYS 86 8.486 0.062 -0.051 686 HA CYS 86 HA CYS 86 7.117 -2.537 -0.284 687 HB2 CYS 86 1HB CYS 86 8.976 -1.533 1.874 688 HB3 CYS 86 2HB CYS 86 7.963 -2.959 2.061 689 HG CYS 86 HG CYS 86 9.577 -3.321 -0.736 690 H LEU 87 H LEU 87 5.189 -2.781 0.722 691 HA LEU 87 HA LEU 87 4.048 -0.385 1.961 692 HB2 LEU 87 1HB LEU 87 2.823 -2.849 0.754 693 HB3 LEU 87 2HB LEU 87 1.883 -1.681 1.680 694 HG LEU 87 HG LEU 87 3.404 -1.042 -0.846 695 HD11 LEU 87 1HD1 LEU 87 0.537 -1.783 -0.362 696 HD12 LEU 87 2HD1 LEU 87 1.670 -2.455 -1.535 697 HD13 LEU 87 3HD1 LEU 87 1.033 -0.826 -1.758 698 HD21 LEU 87 1HD2 LEU 87 1.430 0.542 0.794 699 HD22 LEU 87 2HD2 LEU 87 2.055 1.023 -0.784 700 HD23 LEU 87 3HD2 LEU 87 3.149 0.881 0.594 701 H LEU 88 H LEU 88 3.696 -0.275 4.078 702 HA LEU 88 HA LEU 88 3.776 -2.776 5.635 703 HB2 LEU 88 1HB LEU 88 4.515 -0.004 6.557 704 HB3 LEU 88 2HB LEU 88 4.656 -1.493 7.489 705 HG LEU 88 HG LEU 88 6.180 -1.114 4.932 706 HD11 LEU 88 1HD1 LEU 88 6.644 0.166 7.551 707 HD12 LEU 88 2HD1 LEU 88 7.134 0.671 5.934 708 HD13 LEU 88 3HD1 LEU 88 8.044 -0.581 6.780 709 HD21 LEU 88 1HD2 LEU 88 6.896 -3.153 5.425 710 HD22 LEU 88 2HD2 LEU 88 5.923 -3.163 6.896 711 HD23 LEU 88 3HD2 LEU 88 7.574 -2.541 6.934 712 H VAL 89 H VAL 89 1.749 -3.323 6.128 713 HA VAL 89 HA VAL 89 -0.231 -1.259 6.704 714 HB VAL 89 HB VAL 89 -0.527 -4.254 6.447 715 HG11 VAL 89 1HG1 VAL 89 -3.010 -3.552 6.278 716 HG12 VAL 89 2HG1 VAL 89 -2.263 -3.666 7.873 717 HG13 VAL 89 3HG1 VAL 89 -2.486 -2.090 7.112 718 HG21 VAL 89 1HG2 VAL 89 -1.599 -3.780 4.336 719 HG22 VAL 89 2HG2 VAL 89 -1.422 -2.045 4.597 720 HG23 VAL 89 3HG2 VAL 89 0.006 -3.050 4.352 721 H ARG 90 H ARG 90 -1.369 -1.114 8.639 722 HA ARG 90 HA ARG 90 -0.789 -2.871 10.843 723 HB2 ARG 90 1HB ARG 90 1.182 -1.371 10.852 724 HB3 ARG 90 2HB ARG 90 0.106 0.012 11.003 725 HG2 ARG 90 1HG ARG 90 -0.624 -0.717 13.167 726 HG3 ARG 90 2HG ARG 90 0.277 -2.226 13.007 727 HD2 ARG 90 1HD ARG 90 1.697 -0.957 14.311 728 HD3 ARG 90 2HD ARG 90 2.326 -0.660 12.691 729 HE ARG 90 HE ARG 90 0.399 1.293 13.354 730 HH11 ARG 90 2HH1 ARG 90 3.658 0.320 14.099 731 HH12 ARG 90 1HH1 ARG 90 4.179 1.919 14.515 732 HH21 ARG 90 2HH2 ARG 90 1.073 3.403 13.900 733 HH22 ARG 90 1HH2 ARG 90 2.708 3.672 14.403 734 H TRP 91 H TRP 91 -2.294 -2.721 12.482 735 HA TRP 91 HA TRP 91 -4.271 -0.565 12.337 736 HB2 TRP 91 1HB TRP 91 -6.127 -2.170 12.490 737 HB3 TRP 91 2HB TRP 91 -5.198 -2.403 11.011 738 HD1 TRP 91 HD TRP 91 -5.755 -4.036 14.458 739 HE1 TRP 91 1HE TRP 91 -5.124 -6.525 14.281 740 HE3 TRP 91 3HE TRP 91 -3.885 -4.064 9.700 741 HZ2 TRP 91 2HZ TRP 91 -3.985 -8.269 12.377 742 HZ3 TRP 91 3HZ TRP 91 -3.045 -6.183 8.776 743 HH2 TRP 91 HH TRP 91 -3.094 -8.241 10.088 744 H SER 92 H SER 92 -5.034 0.088 14.281 745 HA SER 92 HA SER 92 -3.970 -1.303 16.640 746 HB2 SER 92 1HB SER 92 -3.295 1.053 16.384 747 HB3 SER 92 2HB SER 92 -4.991 1.536 16.373 748 HG SER 92 HG SER 92 -3.381 1.040 18.472 749 H GLY 93 H GLY 93 -5.279 -2.131 18.174 750 HA2 GLY 93 1HA GLY 93 -8.087 -1.373 18.278 751 HA3 GLY 93 2HA GLY 93 -7.763 -3.035 17.809 752 HA PRO 94 HA PRO 94 -6.127 -2.596 22.340 753 HB2 PRO 94 1HB PRO 94 -6.713 -0.278 23.626 754 HB3 PRO 94 2HB PRO 94 -5.230 -0.510 22.691 755 HG2 PRO 94 1HG PRO 94 -7.772 0.860 21.901 756 HG3 PRO 94 2HG PRO 94 -6.095 1.363 21.619 757 HD2 PRO 94 1HD PRO 94 -7.601 0.178 19.707 758 HD3 PRO 94 2HD PRO 94 -5.843 -0.046 19.813 759 H SER 95 H SER 95 -9.174 -1.593 21.162 760 HA SER 95 HA SER 95 -10.867 -1.412 23.261 761 HB2 SER 95 1HB SER 95 -11.284 -3.022 20.733 762 HB3 SER 95 2HB SER 95 -12.574 -2.591 21.856 763 HG SER 95 HG SER 95 -10.883 -0.686 20.613 764 H SER 96 H SER 96 -9.851 -4.513 21.824 765 HA SER 96 HA SER 96 -11.121 -6.150 23.719 766 HB2 SER 96 1HB SER 96 -10.180 -6.845 21.461 767 HB3 SER 96 2HB SER 96 -8.594 -6.871 22.230 768 HG SER 96 HG SER 96 -10.858 -8.457 22.841 769 H GLY 97 H GLY 97 -7.655 -5.323 23.460 770 HA2 GLY 97 1HA GLY 97 -6.999 -6.434 25.994 771 HA3 GLY 97 2HA GLY 97 -5.979 -5.372 25.035 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -2.264 9.805 -19.985 2 HA2 GLY 1 1HA GLY 1 -4.767 11.192 -19.727 3 HA3 GLY 1 2HA GLY 1 -3.260 11.862 -20.334 4 H SER 2 H SER 2 -2.619 10.852 -22.553 5 HA SER 2 HA SER 2 -4.928 11.248 -24.294 6 HB2 SER 2 1HB SER 2 -3.082 12.604 -24.918 7 HB3 SER 2 2HB SER 2 -1.949 11.261 -24.775 8 HG SER 2 HG SER 2 -2.478 11.707 -26.956 9 H SER 3 H SER 3 -2.159 9.006 -24.101 10 HA SER 3 HA SER 3 -3.850 6.963 -25.385 11 HB2 SER 3 1HB SER 3 -0.931 7.585 -25.607 12 HB3 SER 3 2HB SER 3 -1.468 5.921 -25.834 13 HG SER 3 HG SER 3 -3.057 6.963 -27.352 14 H GLY 4 H GLY 4 -3.512 4.739 -24.701 15 HA2 GLY 4 1HA GLY 4 -3.190 3.079 -23.135 16 HA3 GLY 4 2HA GLY 4 -2.051 4.141 -22.321 17 H SER 5 H SER 5 -2.786 3.666 -20.262 18 HA SER 5 HA SER 5 -5.556 4.458 -19.659 19 HB2 SER 5 1HB SER 5 -5.525 2.993 -17.801 20 HB3 SER 5 2HB SER 5 -4.733 2.095 -19.096 21 HG SER 5 HG SER 5 -3.026 2.006 -17.892 22 H SER 6 H SER 6 -5.751 5.265 -17.289 23 HA SER 6 HA SER 6 -4.009 7.574 -17.077 24 HB2 SER 6 1HB SER 6 -6.488 7.764 -16.811 25 HB3 SER 6 2HB SER 6 -6.363 6.808 -15.334 26 HG SER 6 HG SER 6 -4.676 8.592 -14.852 27 H GLY 7 H GLY 7 -2.314 7.718 -15.764 28 HA2 GLY 7 1HA GLY 7 -0.904 7.349 -13.981 29 HA3 GLY 7 2HA GLY 7 -2.236 6.538 -13.171 30 H GLN 8 H GLN 8 0.615 5.825 -13.320 31 HA GLN 8 HA GLN 8 0.512 3.316 -14.831 32 HB2 GLN 8 1HB GLN 8 2.900 3.227 -14.613 33 HB3 GLN 8 2HB GLN 8 2.461 4.849 -15.131 34 HG2 GLN 8 1HG GLN 8 2.802 5.716 -12.930 35 HG3 GLN 8 2HG GLN 8 3.034 4.095 -12.277 36 HE21 GLN 8 1HE2 GLN 8 4.656 6.751 -12.886 37 HE22 GLN 8 2HE2 GLN 8 6.190 6.117 -13.366 38 H LEU 9 H LEU 9 1.013 1.320 -13.858 39 HA LEU 9 HA LEU 9 0.174 1.146 -11.090 40 HB2 LEU 9 1HB LEU 9 0.556 -0.762 -13.335 41 HB3 LEU 9 2HB LEU 9 0.649 -1.392 -11.692 42 HG LEU 9 HG LEU 9 -1.668 -0.057 -11.513 43 HD11 LEU 9 1HD1 LEU 9 -1.165 -0.473 -14.394 44 HD12 LEU 9 2HD1 LEU 9 -2.150 0.738 -13.573 45 HD13 LEU 9 3HD1 LEU 9 -2.771 -0.897 -13.800 46 HD21 LEU 9 1HD2 LEU 9 -2.772 -2.240 -12.029 47 HD22 LEU 9 2HD2 LEU 9 -1.429 -2.349 -10.890 48 HD23 LEU 9 3HD2 LEU 9 -1.204 -2.841 -12.570 49 H LEU 10 H LEU 10 1.433 0.671 -9.378 50 HA LEU 10 HA LEU 10 4.317 0.439 -9.869 51 HB2 LEU 10 1HB LEU 10 3.204 0.894 -7.151 52 HB3 LEU 10 2HB LEU 10 4.700 1.487 -7.870 53 HG LEU 10 HG LEU 10 1.914 2.562 -8.271 54 HD11 LEU 10 1HD1 LEU 10 2.574 3.671 -6.428 55 HD12 LEU 10 2HD1 LEU 10 3.481 4.645 -7.585 56 HD13 LEU 10 3HD1 LEU 10 4.284 3.342 -6.708 57 HD21 LEU 10 1HD2 LEU 10 3.914 4.175 -9.499 58 HD22 LEU 10 2HD2 LEU 10 2.510 3.401 -10.235 59 HD23 LEU 10 3HD2 LEU 10 4.043 2.534 -10.133 60 H THR 11 H THR 11 5.573 -1.098 -8.744 61 HA THR 11 HA THR 11 4.047 -3.476 -7.926 62 HB THR 11 HB THR 11 6.953 -3.382 -8.747 63 HG1 THR 11 1HG THR 11 4.704 -4.147 -10.323 64 HG21 THR 11 1HG2 THR 11 6.025 -5.880 -9.290 65 HG22 THR 11 2HG2 THR 11 5.096 -5.475 -7.847 66 HG23 THR 11 3HG2 THR 11 6.858 -5.427 -7.804 67 H LEU 12 H LEU 12 3.749 -3.217 -5.761 68 HA LEU 12 HA LEU 12 6.179 -2.930 -4.120 69 HB2 LEU 12 1HB LEU 12 3.456 -2.199 -3.123 70 HB3 LEU 12 2HB LEU 12 5.032 -1.673 -2.537 71 HG LEU 12 HG LEU 12 4.109 -0.834 -5.253 72 HD11 LEU 12 1HD1 LEU 12 2.245 -0.036 -4.225 73 HD12 LEU 12 2HD1 LEU 12 3.352 1.286 -3.856 74 HD13 LEU 12 3HD1 LEU 12 3.017 0.052 -2.641 75 HD21 LEU 12 1HD2 LEU 12 6.331 -0.327 -3.572 76 HD22 LEU 12 2HD2 LEU 12 5.412 1.171 -3.713 77 HD23 LEU 12 3HD2 LEU 12 5.984 0.346 -5.164 78 H LYS 13 H LYS 13 5.724 -3.792 -1.803 79 HA LYS 13 HA LYS 13 4.334 -6.380 -2.044 80 HB2 LYS 13 1HB LYS 13 6.855 -5.728 -0.509 81 HB3 LYS 13 2HB LYS 13 6.010 -7.268 -0.435 82 HG2 LYS 13 1HG LYS 13 6.337 -7.304 -2.997 83 HG3 LYS 13 2HG LYS 13 7.568 -6.077 -2.690 84 HD2 LYS 13 1HD LYS 13 8.867 -7.543 -1.402 85 HD3 LYS 13 2HD LYS 13 7.531 -8.677 -1.187 86 HE2 LYS 13 1HE LYS 13 8.832 -9.748 -2.769 87 HE3 LYS 13 2HE LYS 13 7.649 -8.906 -3.769 88 HZ1 LYS 13 1HZ LYS 13 10.134 -8.762 -4.372 89 HZ2 LYS 13 2HZ LYS 13 10.220 -7.621 -3.126 90 HZ3 LYS 13 3HZ LYS 13 9.195 -7.356 -4.446 91 H ILE 14 H ILE 14 2.930 -6.944 -0.469 92 HA ILE 14 HA ILE 14 2.444 -4.962 1.637 93 HB ILE 14 HB ILE 14 0.683 -7.157 0.547 94 HG12 ILE 14 1HG1 ILE 14 -0.755 -5.093 0.009 95 HG13 ILE 14 2HG1 ILE 14 0.702 -4.153 0.311 96 HG21 ILE 14 1HG2 ILE 14 -0.537 -7.074 2.397 97 HG22 ILE 14 2HG2 ILE 14 0.640 -5.975 3.113 98 HG23 ILE 14 3HG2 ILE 14 -0.732 -5.331 2.211 99 HD11 ILE 14 1HD1 ILE 14 1.697 -4.832 -1.601 100 HD12 ILE 14 2HD1 ILE 14 0.930 -6.421 -1.570 101 HD13 ILE 14 3HD1 ILE 14 0.016 -5.011 -2.103 102 H LYS 15 H LYS 15 2.702 -5.414 3.740 103 HA LYS 15 HA LYS 15 2.748 -8.132 4.714 104 HB2 LYS 15 1HB LYS 15 5.041 -7.933 3.950 105 HB3 LYS 15 2HB LYS 15 5.230 -6.409 4.808 106 HG2 LYS 15 1HG LYS 15 4.465 -8.814 6.374 107 HG3 LYS 15 2HG LYS 15 6.128 -8.677 5.797 108 HD2 LYS 15 1HD LYS 15 6.154 -6.364 6.824 109 HD3 LYS 15 2HD LYS 15 4.627 -6.789 7.600 110 HE2 LYS 15 1HE LYS 15 7.016 -8.573 7.866 111 HE3 LYS 15 2HE LYS 15 6.856 -7.141 8.882 112 HZ1 LYS 15 1HZ LYS 15 4.820 -7.965 9.764 113 HZ2 LYS 15 2HZ LYS 15 5.962 -9.207 9.885 114 HZ3 LYS 15 3HZ LYS 15 4.785 -9.256 8.670 115 H CYS 16 H CYS 16 2.018 -8.226 6.754 116 HA CYS 16 HA CYS 16 1.279 -5.765 8.064 117 HB2 CYS 16 1HB CYS 16 0.735 -8.669 8.504 118 HB3 CYS 16 2HB CYS 16 0.511 -7.562 9.853 119 HG CYS 16 HG CYS 16 -1.254 -5.902 8.267 120 H SER 17 H SER 17 3.189 -4.792 8.712 121 HA SER 17 HA SER 17 5.397 -5.891 9.892 122 HB2 SER 17 1HB SER 17 5.422 -3.567 9.348 123 HB3 SER 17 2HB SER 17 4.061 -3.233 10.419 124 HG SER 17 HG SER 17 6.390 -4.349 11.502 125 H ASN 18 H ASN 18 2.269 -5.299 11.331 126 HA ASN 18 HA ASN 18 3.188 -5.877 14.013 127 HB2 ASN 18 1HB ASN 18 0.577 -5.117 12.769 128 HB3 ASN 18 2HB ASN 18 0.566 -5.885 14.354 129 HD21 ASN 18 1HD2 ASN 18 -0.461 -3.575 14.517 130 HD22 ASN 18 2HD2 ASN 18 0.620 -2.359 15.099 131 H GLN 19 H GLN 19 3.364 -7.883 11.776 132 HA GLN 19 HA GLN 19 2.355 -10.130 13.311 133 HB2 GLN 19 1HB GLN 19 1.357 -9.400 10.582 134 HB3 GLN 19 2HB GLN 19 1.460 -11.092 11.049 135 HG2 GLN 19 1HG GLN 19 -0.002 -9.043 12.685 136 HG3 GLN 19 2HG GLN 19 -0.767 -9.958 11.386 137 HE21 GLN 19 1HE2 GLN 19 -1.756 -11.745 11.971 138 HE22 GLN 19 2HE2 GLN 19 -1.426 -12.678 13.387 139 HA PRO 20 HA PRO 20 6.452 -11.237 11.823 140 HB2 PRO 20 1HB PRO 20 6.763 -13.312 13.546 141 HB3 PRO 20 2HB PRO 20 7.010 -11.627 14.018 142 HG2 PRO 20 1HG PRO 20 4.626 -13.385 14.448 143 HG3 PRO 20 2HG PRO 20 5.398 -12.251 15.573 144 HD2 PRO 20 1HD PRO 20 3.142 -11.638 14.206 145 HD3 PRO 20 2HD PRO 20 4.358 -10.419 14.637 146 H GLU 21 H GLU 21 3.613 -13.260 12.152 147 HA GLU 21 HA GLU 21 4.751 -15.385 10.536 148 HB2 GLU 21 1HB GLU 21 2.654 -16.544 10.901 149 HB3 GLU 21 2HB GLU 21 3.252 -15.912 12.429 150 HG2 GLU 21 1HG GLU 21 1.710 -13.930 12.031 151 HG3 GLU 21 2HG GLU 21 0.974 -14.905 10.761 152 H ARG 22 H ARG 22 2.233 -12.910 10.265 153 HA ARG 22 HA ARG 22 0.999 -13.460 7.938 154 HB2 ARG 22 1HB ARG 22 1.946 -10.888 9.119 155 HB3 ARG 22 2HB ARG 22 1.285 -10.864 7.490 156 HG2 ARG 22 1HG ARG 22 -0.225 -12.169 9.715 157 HG3 ARG 22 2HG ARG 22 -0.275 -10.419 9.495 158 HD2 ARG 22 1HD ARG 22 -1.393 -10.566 7.494 159 HD3 ARG 22 2HD ARG 22 -0.763 -12.174 7.140 160 HE ARG 22 HE ARG 22 -2.493 -12.209 9.396 161 HH11 ARG 22 2HH1 ARG 22 -2.462 -12.073 5.918 162 HH12 ARG 22 1HH1 ARG 22 -4.026 -12.799 5.746 163 HH21 ARG 22 2HH2 ARG 22 -4.553 -13.166 9.183 164 HH22 ARG 22 1HH2 ARG 22 -5.215 -13.419 7.603 165 H GLN 23 H GLN 23 1.749 -14.190 6.068 166 HA GLN 23 HA GLN 23 4.431 -13.859 5.211 167 HB2 GLN 23 1HB GLN 23 3.715 -14.984 3.163 168 HB3 GLN 23 2HB GLN 23 3.083 -15.808 4.582 169 HG2 GLN 23 1HG GLN 23 0.935 -14.564 4.224 170 HG3 GLN 23 2HG GLN 23 1.595 -14.016 2.685 171 HE21 GLN 23 1HE2 GLN 23 -0.420 -15.162 1.989 172 HE22 GLN 23 2HE2 GLN 23 -0.284 -16.844 1.619 173 H ILE 24 H ILE 24 4.931 -13.022 2.948 174 HA ILE 24 HA ILE 24 3.672 -10.379 2.650 175 HB ILE 24 HB ILE 24 6.353 -11.167 1.530 176 HG12 ILE 24 1HG1 ILE 24 5.674 -10.062 4.256 177 HG13 ILE 24 2HG1 ILE 24 6.590 -11.517 3.880 178 HG21 ILE 24 1HG2 ILE 24 6.086 -8.427 2.290 179 HG22 ILE 24 2HG2 ILE 24 6.357 -9.115 0.690 180 HG23 ILE 24 3HG2 ILE 24 4.712 -8.890 1.286 181 HD11 ILE 24 1HD1 ILE 24 7.506 -8.827 4.238 182 HD12 ILE 24 2HD1 ILE 24 8.434 -10.319 4.085 183 HD13 ILE 24 3HD1 ILE 24 7.961 -9.422 2.642 184 H LEU 25 H LEU 25 2.886 -9.712 0.704 185 HA LEU 25 HA LEU 25 3.051 -11.618 -1.536 186 HB2 LEU 25 1HB LEU 25 0.639 -9.915 -1.225 187 HB3 LEU 25 2HB LEU 25 0.808 -11.510 -1.956 188 HG LEU 25 HG LEU 25 1.114 -11.267 0.997 189 HD11 LEU 25 1HD1 LEU 25 -0.943 -9.951 0.192 190 HD12 LEU 25 2HD1 LEU 25 -1.166 -11.173 1.443 191 HD13 LEU 25 3HD1 LEU 25 -1.608 -11.530 -0.226 192 HD21 LEU 25 1HD2 LEU 25 0.943 -13.333 -0.914 193 HD22 LEU 25 2HD2 LEU 25 -0.529 -13.405 0.055 194 HD23 LEU 25 3HD2 LEU 25 1.049 -13.478 0.840 195 H GLU 26 H GLU 26 2.258 -10.486 -3.634 196 HA GLU 26 HA GLU 26 3.325 -7.743 -3.717 197 HB2 GLU 26 1HB GLU 26 4.882 -9.553 -4.632 198 HB3 GLU 26 2HB GLU 26 3.718 -9.744 -5.935 199 HG2 GLU 26 1HG GLU 26 4.826 -7.045 -5.311 200 HG3 GLU 26 2HG GLU 26 5.773 -8.199 -6.249 201 H LYS 27 H LYS 27 1.893 -6.338 -4.458 202 HA LYS 27 HA LYS 27 -0.116 -7.254 -6.406 203 HB2 LYS 27 1HB LYS 27 -1.101 -6.992 -4.137 204 HB3 LYS 27 2HB LYS 27 -0.608 -5.304 -4.147 205 HG2 LYS 27 1HG LYS 27 -2.783 -5.105 -4.802 206 HG3 LYS 27 2HG LYS 27 -1.993 -5.241 -6.375 207 HD2 LYS 27 1HD LYS 27 -2.464 -7.680 -6.339 208 HD3 LYS 27 2HD LYS 27 -3.364 -7.447 -4.838 209 HE2 LYS 27 1HE LYS 27 -5.060 -7.363 -6.387 210 HE3 LYS 27 2HE LYS 27 -4.652 -5.654 -6.242 211 HZ1 LYS 27 1HZ LYS 27 -4.748 -6.007 -8.514 212 HZ2 LYS 27 2HZ LYS 27 -4.006 -7.524 -8.430 213 HZ3 LYS 27 3HZ LYS 27 -3.090 -6.121 -8.199 214 H GLN 28 H GLN 28 -0.750 -5.766 -7.976 215 HA GLN 28 HA GLN 28 0.989 -3.399 -8.192 216 HB2 GLN 28 1HB GLN 28 -0.161 -5.222 -10.294 217 HB3 GLN 28 2HB GLN 28 0.451 -3.621 -10.689 218 HG2 GLN 28 1HG GLN 28 2.647 -4.201 -9.977 219 HG3 GLN 28 2HG GLN 28 2.083 -5.728 -9.300 220 HE21 GLN 28 1HE2 GLN 28 3.249 -4.123 -12.051 221 HE22 GLN 28 2HE2 GLN 28 3.120 -5.435 -13.168 222 H LEU 29 H LEU 29 -0.019 -1.536 -7.887 223 HA LEU 29 HA LEU 29 -2.790 -1.256 -8.832 224 HB2 LEU 29 1HB LEU 29 -1.770 0.055 -6.330 225 HB3 LEU 29 2HB LEU 29 -3.435 -0.072 -6.894 226 HG LEU 29 HG LEU 29 -3.112 -1.523 -5.001 227 HD11 LEU 29 1HD1 LEU 29 -3.605 -2.675 -7.682 228 HD12 LEU 29 2HD1 LEU 29 -4.658 -2.586 -6.271 229 HD13 LEU 29 3HD1 LEU 29 -3.386 -3.805 -6.346 230 HD21 LEU 29 1HD2 LEU 29 -1.230 -3.340 -6.345 231 HD22 LEU 29 2HD2 LEU 29 -1.333 -2.856 -4.652 232 HD23 LEU 29 3HD2 LEU 29 -0.551 -1.797 -5.826 233 HA PRO 30 HA PRO 30 -1.404 2.377 -10.877 234 HB2 PRO 30 1HB PRO 30 -3.706 3.816 -10.926 235 HB3 PRO 30 2HB PRO 30 -3.440 2.394 -11.941 236 HG2 PRO 30 1HG PRO 30 -4.936 2.625 -9.358 237 HG3 PRO 30 2HG PRO 30 -5.378 1.744 -10.832 238 HD2 PRO 30 1HD PRO 30 -4.312 0.517 -8.667 239 HD3 PRO 30 2HD PRO 30 -4.014 -0.043 -10.325 240 H ASP 31 H ASP 31 -0.149 3.910 -10.040 241 HA ASP 31 HA ASP 31 -0.042 4.834 -7.491 242 HB2 ASP 31 1HB ASP 31 1.147 6.807 -8.340 243 HB3 ASP 31 2HB ASP 31 1.660 5.347 -9.181 244 H SER 32 H SER 32 -2.366 5.692 -9.897 245 HA SER 32 HA SER 32 -3.249 8.148 -8.819 246 HB2 SER 32 1HB SER 32 -3.878 7.608 -11.063 247 HB3 SER 32 2HB SER 32 -4.626 6.093 -10.556 248 HG SER 32 HG SER 32 -5.829 8.364 -10.855 249 H MET 33 H MET 33 -4.275 4.801 -8.290 250 HA MET 33 HA MET 33 -6.533 5.084 -6.806 251 HB2 MET 33 1HB MET 33 -5.073 2.975 -7.393 252 HB3 MET 33 2HB MET 33 -4.430 3.223 -5.776 253 HG2 MET 33 1HG MET 33 -6.381 2.649 -4.756 254 HG3 MET 33 2HG MET 33 -7.376 3.191 -6.106 255 HE1 MET 33 1HE MET 33 -4.741 -0.070 -5.354 256 HE2 MET 33 2HE MET 33 -5.840 0.661 -4.184 257 HE3 MET 33 3HE MET 33 -6.255 -0.876 -4.944 258 H THR 34 H THR 34 -7.078 6.139 -5.022 259 HA THR 34 HA THR 34 -5.156 7.554 -3.470 260 HB THR 34 HB THR 34 -7.130 8.093 -1.991 261 HG1 THR 34 1HG THR 34 -9.189 7.468 -2.883 262 HG21 THR 34 1HG2 THR 34 -8.034 8.689 -4.745 263 HG22 THR 34 2HG2 THR 34 -6.391 9.180 -4.333 264 HG23 THR 34 3HG2 THR 34 -7.753 9.774 -3.384 265 H VAL 35 H VAL 35 -4.390 7.179 -1.428 266 HA VAL 35 HA VAL 35 -3.801 4.690 -0.540 267 HB VAL 35 HB VAL 35 -4.372 7.079 1.220 268 HG11 VAL 35 1HG1 VAL 35 -2.743 4.609 1.809 269 HG12 VAL 35 2HG1 VAL 35 -2.962 5.997 2.876 270 HG13 VAL 35 3HG1 VAL 35 -4.336 4.966 2.474 271 HG21 VAL 35 1HG2 VAL 35 -2.383 6.660 -0.722 272 HG22 VAL 35 2HG2 VAL 35 -2.472 7.956 0.471 273 HG23 VAL 35 3HG2 VAL 35 -1.596 6.471 0.845 274 H GLN 36 H GLN 36 -6.717 6.532 0.258 275 HA GLN 36 HA GLN 36 -7.823 4.851 2.163 276 HB2 GLN 36 1HB GLN 36 -8.621 7.152 1.154 277 HB3 GLN 36 2HB GLN 36 -9.600 6.118 0.122 278 HG2 GLN 36 1HG GLN 36 -10.439 5.033 2.255 279 HG3 GLN 36 2HG GLN 36 -9.684 6.378 3.109 280 HE21 GLN 36 1HE2 GLN 36 -10.551 8.430 2.923 281 HE22 GLN 36 2HE2 GLN 36 -12.123 8.718 2.267 282 H LYS 37 H LYS 37 -8.004 4.664 -1.363 283 HA LYS 37 HA LYS 37 -9.830 2.532 -1.521 284 HB2 LYS 37 1HB LYS 37 -7.659 3.436 -3.415 285 HB3 LYS 37 2HB LYS 37 -8.825 2.180 -3.808 286 HG2 LYS 37 1HG LYS 37 -9.752 4.882 -2.927 287 HG3 LYS 37 2HG LYS 37 -9.253 4.600 -4.597 288 HD2 LYS 37 1HD LYS 37 -11.209 2.750 -3.296 289 HD3 LYS 37 2HD LYS 37 -11.755 4.310 -3.915 290 HE2 LYS 37 1HE LYS 37 -11.253 3.759 -6.109 291 HE3 LYS 37 2HE LYS 37 -10.101 2.510 -5.637 292 HZ1 LYS 37 1HZ LYS 37 -13.036 2.381 -5.749 293 HZ2 LYS 37 2HZ LYS 37 -12.207 1.383 -4.663 294 HZ3 LYS 37 3HZ LYS 37 -11.891 1.274 -6.322 295 H VAL 38 H VAL 38 -6.296 2.593 -1.344 296 HA VAL 38 HA VAL 38 -5.876 -0.168 -1.701 297 HB VAL 38 HB VAL 38 -4.179 1.805 -0.166 298 HG11 VAL 38 1HG1 VAL 38 -3.877 -0.785 0.097 299 HG12 VAL 38 2HG1 VAL 38 -3.107 -0.644 -1.484 300 HG13 VAL 38 3HG1 VAL 38 -2.476 0.266 -0.111 301 HG21 VAL 38 1HG2 VAL 38 -4.614 2.443 -2.513 302 HG22 VAL 38 2HG2 VAL 38 -2.918 2.066 -2.211 303 HG23 VAL 38 3HG2 VAL 38 -3.949 0.894 -3.032 304 H LYS 39 H LYS 39 -6.491 1.781 1.173 305 HA LYS 39 HA LYS 39 -6.033 -0.306 3.048 306 HB2 LYS 39 1HB LYS 39 -7.590 2.274 3.277 307 HB3 LYS 39 2HB LYS 39 -7.255 1.201 4.630 308 HG2 LYS 39 1HG LYS 39 -4.908 1.588 4.450 309 HG3 LYS 39 2HG LYS 39 -5.118 2.474 2.938 310 HD2 LYS 39 1HD LYS 39 -6.083 4.311 4.012 311 HD3 LYS 39 2HD LYS 39 -6.456 3.381 5.465 312 HE2 LYS 39 1HE LYS 39 -3.974 3.155 5.821 313 HE3 LYS 39 2HE LYS 39 -3.755 4.318 4.515 314 HZ1 LYS 39 1HZ LYS 39 -5.449 5.671 5.993 315 HZ2 LYS 39 2HZ LYS 39 -3.781 5.729 6.269 316 HZ3 LYS 39 3HZ LYS 39 -4.762 4.734 7.224 317 H GLY 40 H GLY 40 -8.873 0.864 1.323 318 HA2 GLY 40 1HA GLY 40 -10.770 -0.679 2.780 319 HA3 GLY 40 2HA GLY 40 -11.029 0.070 1.212 320 H LEU 41 H LEU 41 -8.690 -1.369 0.070 321 HA LEU 41 HA LEU 41 -10.062 -3.588 -0.977 322 HB2 LEU 41 1HB LEU 41 -8.370 -2.653 -2.307 323 HB3 LEU 41 2HB LEU 41 -7.183 -2.744 -1.007 324 HG LEU 41 HG LEU 41 -7.517 -5.326 -1.287 325 HD11 LEU 41 1HD1 LEU 41 -9.379 -5.128 -2.874 326 HD12 LEU 41 2HD1 LEU 41 -8.006 -5.992 -3.565 327 HD13 LEU 41 3HD1 LEU 41 -8.308 -4.313 -4.014 328 HD21 LEU 41 1HD2 LEU 41 -5.982 -4.537 -3.579 329 HD22 LEU 41 2HD2 LEU 41 -5.430 -5.167 -2.027 330 HD23 LEU 41 3HD2 LEU 41 -5.680 -3.433 -2.237 331 H LEU 42 H LEU 42 -7.662 -3.300 1.596 332 HA LEU 42 HA LEU 42 -7.760 -6.176 2.080 333 HB2 LEU 42 1HB LEU 42 -6.112 -3.974 3.308 334 HB3 LEU 42 2HB LEU 42 -6.029 -5.662 3.806 335 HG LEU 42 HG LEU 42 -5.490 -4.876 0.964 336 HD11 LEU 42 1HD1 LEU 42 -4.094 -3.558 2.687 337 HD12 LEU 42 2HD1 LEU 42 -3.260 -4.396 1.378 338 HD13 LEU 42 3HD1 LEU 42 -3.302 -5.104 2.993 339 HD21 LEU 42 1HD2 LEU 42 -5.755 -7.216 1.323 340 HD22 LEU 42 2HD2 LEU 42 -4.706 -7.179 2.741 341 HD23 LEU 42 3HD2 LEU 42 -4.029 -6.904 1.135 342 H SER 43 H SER 43 -9.057 -3.226 3.292 343 HA SER 43 HA SER 43 -9.546 -3.674 5.937 344 HB2 SER 43 1HB SER 43 -10.324 -1.622 5.155 345 HB3 SER 43 2HB SER 43 -11.180 -2.351 3.797 346 HG SER 43 HG SER 43 -11.906 -2.438 6.537 347 H ARG 44 H ARG 44 -11.022 -5.264 3.206 348 HA ARG 44 HA ARG 44 -13.016 -6.581 4.861 349 HB2 ARG 44 1HB ARG 44 -12.377 -6.732 1.914 350 HB3 ARG 44 2HB ARG 44 -13.615 -7.715 2.684 351 HG2 ARG 44 1HG ARG 44 -13.657 -4.735 2.932 352 HG3 ARG 44 2HG ARG 44 -14.310 -5.540 1.504 353 HD2 ARG 44 1HD ARG 44 -15.810 -6.846 2.925 354 HD3 ARG 44 2HD ARG 44 -15.149 -6.054 4.355 355 HE ARG 44 HE ARG 44 -16.093 -4.088 2.596 356 HH11 ARG 44 2HH1 ARG 44 -17.296 -6.639 4.636 357 HH12 ARG 44 1HH1 ARG 44 -18.819 -5.866 4.927 358 HH21 ARG 44 2HH2 ARG 44 -18.094 -3.060 2.971 359 HH22 ARG 44 1HH2 ARG 44 -19.272 -3.830 3.979 360 H LEU 45 H LEU 45 -9.876 -7.188 3.552 361 HA LEU 45 HA LEU 45 -9.964 -10.035 3.690 362 HB2 LEU 45 1HB LEU 45 -7.874 -7.967 3.289 363 HB3 LEU 45 2HB LEU 45 -7.349 -9.565 3.816 364 HG LEU 45 HG LEU 45 -7.149 -9.435 1.434 365 HD11 LEU 45 1HD1 LEU 45 -9.639 -11.004 1.548 366 HD12 LEU 45 2HD1 LEU 45 -8.401 -11.434 2.728 367 HD13 LEU 45 3HD1 LEU 45 -8.025 -11.465 1.005 368 HD21 LEU 45 1HD2 LEU 45 -9.186 -9.067 0.028 369 HD22 LEU 45 2HD2 LEU 45 -8.630 -7.642 0.906 370 HD23 LEU 45 3HD2 LEU 45 -10.027 -8.547 1.488 371 H LEU 46 H LEU 46 -8.402 -7.582 5.755 372 HA LEU 46 HA LEU 46 -7.997 -9.571 7.839 373 HB2 LEU 46 1HB LEU 46 -7.249 -6.654 7.709 374 HB3 LEU 46 2HB LEU 46 -6.814 -7.756 9.014 375 HG LEU 46 HG LEU 46 -5.963 -8.329 6.200 376 HD11 LEU 46 1HD1 LEU 46 -4.172 -6.915 6.262 377 HD12 LEU 46 2HD1 LEU 46 -4.148 -6.839 8.023 378 HD13 LEU 46 3HD1 LEU 46 -5.363 -5.936 7.119 379 HD21 LEU 46 1HD2 LEU 46 -5.615 -9.536 8.741 380 HD22 LEU 46 2HD2 LEU 46 -4.047 -8.929 8.210 381 HD23 LEU 46 3HD2 LEU 46 -4.956 -10.041 7.185 382 H LYS 47 H LYS 47 -10.456 -7.575 6.903 383 HA LYS 47 HA LYS 47 -12.403 -6.915 7.878 384 HB2 LYS 47 1HB LYS 47 -11.713 -8.342 10.414 385 HB3 LYS 47 2HB LYS 47 -13.269 -8.192 9.607 386 HG2 LYS 47 1HG LYS 47 -10.962 -9.948 8.803 387 HG3 LYS 47 2HG LYS 47 -12.533 -10.456 9.429 388 HD2 LYS 47 1HD LYS 47 -12.453 -8.793 6.959 389 HD3 LYS 47 2HD LYS 47 -12.006 -10.496 6.844 390 HE2 LYS 47 1HE LYS 47 -14.252 -10.665 6.473 391 HE3 LYS 47 2HE LYS 47 -14.234 -10.806 8.230 392 HZ1 LYS 47 1HZ LYS 47 -14.529 -8.280 8.188 393 HZ2 LYS 47 2HZ LYS 47 -15.871 -9.240 7.816 394 HZ3 LYS 47 3HZ LYS 47 -15.000 -8.487 6.576 395 H VAL 48 H VAL 48 -10.057 -5.296 8.138 396 HA VAL 48 HA VAL 48 -10.510 -4.016 10.752 397 HB VAL 48 HB VAL 48 -8.116 -3.812 8.920 398 HG11 VAL 48 1HG1 VAL 48 -8.798 -1.744 10.279 399 HG12 VAL 48 2HG1 VAL 48 -8.302 -2.679 11.691 400 HG13 VAL 48 3HG1 VAL 48 -7.136 -2.315 10.419 401 HG21 VAL 48 1HG2 VAL 48 -7.122 -4.764 11.202 402 HG22 VAL 48 2HG2 VAL 48 -8.750 -5.431 11.321 403 HG23 VAL 48 3HG2 VAL 48 -7.740 -5.816 9.928 404 HA PRO 49 HA PRO 49 -12.399 -0.624 8.657 405 HB2 PRO 49 1HB PRO 49 -12.163 1.229 10.627 406 HB3 PRO 49 2HB PRO 49 -13.332 -0.095 10.689 407 HG2 PRO 49 1HG PRO 49 -10.654 0.131 12.007 408 HG3 PRO 49 2HG PRO 49 -12.181 -0.477 12.673 409 HD2 PRO 49 1HD PRO 49 -10.220 -2.122 11.789 410 HD3 PRO 49 2HD PRO 49 -11.941 -2.540 11.672 411 H VAL 50 H VAL 50 -11.554 0.642 7.136 412 HA VAL 50 HA VAL 50 -8.961 1.187 6.625 413 HB VAL 50 HB VAL 50 -11.355 2.932 6.078 414 HG11 VAL 50 1HG1 VAL 50 -8.543 3.263 5.038 415 HG12 VAL 50 2HG1 VAL 50 -9.959 4.142 4.457 416 HG13 VAL 50 3HG1 VAL 50 -9.398 4.369 6.114 417 HG21 VAL 50 1HG2 VAL 50 -10.010 1.767 3.808 418 HG22 VAL 50 2HG2 VAL 50 -10.466 0.528 4.978 419 HG23 VAL 50 3HG2 VAL 50 -11.691 1.612 4.318 420 H SER 51 H SER 51 -10.915 2.694 9.056 421 HA SER 51 HA SER 51 -9.326 5.007 9.471 422 HB2 SER 51 1HB SER 51 -11.487 3.602 10.970 423 HB3 SER 51 2HB SER 51 -10.484 4.748 11.859 424 HG SER 51 HG SER 51 -11.155 6.368 10.544 425 H GLU 52 H GLU 52 -9.388 1.804 10.988 426 HA GLU 52 HA GLU 52 -7.172 2.460 12.728 427 HB2 GLU 52 1HB GLU 52 -8.642 -0.134 12.236 428 HB3 GLU 52 2HB GLU 52 -7.362 0.069 13.424 429 HG2 GLU 52 1HG GLU 52 -8.701 1.713 14.612 430 HG3 GLU 52 2HG GLU 52 -9.978 1.559 13.406 431 H LEU 53 H LEU 53 -7.463 1.597 9.536 432 HA LEU 53 HA LEU 53 -5.108 -0.088 9.396 433 HB2 LEU 53 1HB LEU 53 -7.120 0.932 7.449 434 HB3 LEU 53 2HB LEU 53 -5.559 0.377 6.848 435 HG LEU 53 HG LEU 53 -7.500 -1.288 8.452 436 HD11 LEU 53 1HD1 LEU 53 -7.452 -2.510 6.114 437 HD12 LEU 53 2HD1 LEU 53 -7.090 -0.884 5.537 438 HD13 LEU 53 3HD1 LEU 53 -8.573 -1.188 6.443 439 HD21 LEU 53 1HD2 LEU 53 -5.949 -3.117 7.493 440 HD22 LEU 53 2HD2 LEU 53 -5.408 -2.191 8.894 441 HD23 LEU 53 3HD2 LEU 53 -4.790 -1.803 7.288 442 H LEU 54 H LEU 54 -3.238 0.932 9.788 443 HA LEU 54 HA LEU 54 -2.781 3.563 8.565 444 HB2 LEU 54 1HB LEU 54 -1.180 2.165 10.701 445 HB3 LEU 54 2HB LEU 54 -0.955 3.818 10.135 446 HG LEU 54 HG LEU 54 -3.578 3.046 11.326 447 HD11 LEU 54 1HD1 LEU 54 -2.876 3.026 13.483 448 HD12 LEU 54 2HD1 LEU 54 -1.482 4.055 13.158 449 HD13 LEU 54 3HD1 LEU 54 -1.432 2.345 12.733 450 HD21 LEU 54 1HD2 LEU 54 -2.169 5.575 11.921 451 HD22 LEU 54 2HD2 LEU 54 -3.872 5.277 11.571 452 HD23 LEU 54 3HD2 LEU 54 -2.697 5.336 10.255 453 H LEU 55 H LEU 55 -2.014 3.268 6.554 454 HA LEU 55 HA LEU 55 -0.103 1.151 5.995 455 HB2 LEU 55 1HB LEU 55 -1.811 2.964 4.416 456 HB3 LEU 55 2HB LEU 55 -0.271 2.525 3.681 457 HG LEU 55 HG LEU 55 -0.854 0.194 3.718 458 HD11 LEU 55 1HD1 LEU 55 -3.185 1.128 5.354 459 HD12 LEU 55 2HD1 LEU 55 -2.016 -0.144 5.708 460 HD13 LEU 55 3HD1 LEU 55 -3.237 -0.392 4.461 461 HD21 LEU 55 1HD2 LEU 55 -2.262 2.169 2.269 462 HD22 LEU 55 2HD2 LEU 55 -3.418 0.906 2.692 463 HD23 LEU 55 3HD2 LEU 55 -1.946 0.495 1.811 464 H SER 56 H SER 56 2.020 1.423 6.072 465 HA SER 56 HA SER 56 3.112 4.135 5.722 466 HB2 SER 56 1HB SER 56 4.895 3.451 7.393 467 HB3 SER 56 2HB SER 56 3.284 3.702 8.064 468 HG SER 56 HG SER 56 4.226 1.771 8.835 469 H TYR 57 H TYR 57 4.390 4.226 4.010 470 HA TYR 57 HA TYR 57 5.594 1.770 2.980 471 HB2 TYR 57 1HB TYR 57 5.621 2.754 0.901 472 HB3 TYR 57 2HB TYR 57 4.253 3.598 1.619 473 HD1 TYR 57 1HD TYR 57 4.769 5.871 2.758 474 HD2 TYR 57 2HD TYR 57 7.381 3.970 -0.011 475 HE1 TYR 57 1HE TYR 57 5.866 8.028 2.321 476 HE2 TYR 57 2HE TYR 57 8.486 6.122 -0.455 477 HH TYR 57 HH TYR 57 8.713 8.256 0.251 478 H GLU 58 H GLU 58 7.790 1.537 2.600 479 HA GLU 58 HA GLU 58 9.498 3.426 4.072 480 HB2 GLU 58 1HB GLU 58 9.396 1.006 4.811 481 HB3 GLU 58 2HB GLU 58 10.185 0.592 3.296 482 HG2 GLU 58 1HG GLU 58 12.003 2.244 4.008 483 HG3 GLU 58 2HG GLU 58 11.273 2.150 5.610 484 H SER 59 H SER 59 10.400 4.852 2.736 485 HA SER 59 HA SER 59 10.741 4.585 -0.010 486 HB2 SER 59 1HB SER 59 12.373 6.481 0.220 487 HB3 SER 59 2HB SER 59 10.823 6.766 1.011 488 HG SER 59 HG SER 59 12.662 7.322 2.313 489 H SER 60 H SER 60 12.517 4.120 -1.321 490 HA SER 60 HA SER 60 14.294 2.115 -0.240 491 HB2 SER 60 1HB SER 60 15.139 2.276 -2.752 492 HB3 SER 60 2HB SER 60 13.631 1.457 -2.347 493 HG SER 60 HG SER 60 13.887 4.149 -3.216 494 H LYS 61 H LYS 61 14.424 5.257 0.091 495 HA LYS 61 HA LYS 61 17.308 5.478 -0.468 496 HB2 LYS 61 1HB LYS 61 17.002 7.899 -0.514 497 HB3 LYS 61 2HB LYS 61 15.941 7.119 -1.680 498 HG2 LYS 61 1HG LYS 61 14.035 7.527 -0.399 499 HG3 LYS 61 2HG LYS 61 14.973 7.845 1.061 500 HD2 LYS 61 1HD LYS 61 15.769 9.924 0.172 501 HD3 LYS 61 2HD LYS 61 15.056 9.578 -1.405 502 HE2 LYS 61 1HE LYS 61 12.821 9.634 -0.389 503 HE3 LYS 61 2HE LYS 61 13.548 10.010 1.172 504 HZ1 LYS 61 1HZ LYS 61 14.272 11.759 -1.034 505 HZ2 LYS 61 2HZ LYS 61 13.937 12.135 0.580 506 HZ3 LYS 61 3HZ LYS 61 12.668 11.863 -0.505 507 H MET 62 H MET 62 14.829 5.643 1.949 508 HA MET 62 HA MET 62 16.892 6.203 3.976 509 HB2 MET 62 1HB MET 62 14.158 7.318 3.640 510 HB3 MET 62 2HB MET 62 14.691 6.982 5.281 511 HG2 MET 62 1HG MET 62 16.040 8.781 3.283 512 HG3 MET 62 2HG MET 62 15.148 9.275 4.720 513 HE1 MET 62 1HE MET 62 17.685 10.762 5.432 514 HE2 MET 62 2HE MET 62 16.256 10.270 6.340 515 HE3 MET 62 3HE MET 62 17.866 9.960 6.993 516 HA PRO 63 HA PRO 63 15.248 2.004 4.835 517 HB2 PRO 63 1HB PRO 63 17.603 1.053 5.795 518 HB3 PRO 63 2HB PRO 63 17.212 1.089 4.071 519 HG2 PRO 63 1HG PRO 63 18.875 2.991 5.677 520 HG3 PRO 63 2HG PRO 63 19.186 2.319 4.066 521 HD2 PRO 63 1HD PRO 63 18.204 4.815 4.439 522 HD3 PRO 63 2HD PRO 63 17.779 3.822 3.030 523 H GLY 64 H GLY 64 14.215 1.601 6.687 524 HA2 GLY 64 1HA GLY 64 14.150 1.215 9.030 525 HA3 GLY 64 2HA GLY 64 15.484 2.342 9.225 526 H ARG 65 H ARG 65 13.648 3.953 7.164 527 HA ARG 65 HA ARG 65 12.064 5.224 9.299 528 HB2 ARG 65 1HB ARG 65 14.039 6.450 8.044 529 HB3 ARG 65 2HB ARG 65 12.813 6.689 6.806 530 HG2 ARG 65 1HG ARG 65 11.377 7.580 8.784 531 HG3 ARG 65 2HG ARG 65 12.940 7.777 9.579 532 HD2 ARG 65 1HD ARG 65 13.676 9.030 7.500 533 HD3 ARG 65 2HD ARG 65 11.977 9.042 7.026 534 HE ARG 65 HE ARG 65 12.255 10.036 9.653 535 HH11 ARG 65 2HH1 ARG 65 12.859 10.901 6.336 536 HH12 ARG 65 1HH1 ARG 65 12.715 12.605 6.618 537 HH21 ARG 65 2HH2 ARG 65 12.064 12.276 10.037 538 HH22 ARG 65 1HH2 ARG 65 12.264 13.386 8.724 539 H GLU 66 H GLU 66 9.970 4.810 9.114 540 HA GLU 66 HA GLU 66 8.834 4.425 6.428 541 HB2 GLU 66 1HB GLU 66 7.106 3.106 7.428 542 HB3 GLU 66 2HB GLU 66 8.644 2.532 8.058 543 HG2 GLU 66 1HG GLU 66 6.939 4.509 9.535 544 HG3 GLU 66 2HG GLU 66 6.742 2.766 9.708 545 H ILE 67 H ILE 67 7.119 5.624 5.741 546 HA ILE 67 HA ILE 67 6.427 7.941 7.401 547 HB ILE 67 HB ILE 67 6.087 7.460 4.440 548 HG12 ILE 67 1HG1 ILE 67 7.586 9.662 4.600 549 HG13 ILE 67 2HG1 ILE 67 8.036 8.940 6.141 550 HG21 ILE 67 1HG2 ILE 67 5.665 10.179 5.192 551 HG22 ILE 67 2HG2 ILE 67 4.569 9.075 4.364 552 HG23 ILE 67 3HG2 ILE 67 4.581 9.148 6.126 553 HD11 ILE 67 1HD1 ILE 67 8.393 6.809 4.626 554 HD12 ILE 67 2HD1 ILE 67 8.612 8.039 3.381 555 HD13 ILE 67 3HD1 ILE 67 9.639 8.042 4.815 556 H GLU 68 H GLU 68 4.498 8.095 8.332 557 HA GLU 68 HA GLU 68 2.502 6.061 7.843 558 HB2 GLU 68 1HB GLU 68 2.607 8.383 9.772 559 HB3 GLU 68 2HB GLU 68 1.266 7.250 9.683 560 HG2 GLU 68 1HG GLU 68 3.999 6.150 10.037 561 HG3 GLU 68 2HG GLU 68 3.236 6.952 11.409 562 H LEU 69 H LEU 69 1.167 6.273 6.175 563 HA LEU 69 HA LEU 69 0.577 8.787 4.959 564 HB2 LEU 69 1HB LEU 69 -0.941 6.233 4.522 565 HB3 LEU 69 2HB LEU 69 -0.707 7.571 3.399 566 HG LEU 69 HG LEU 69 1.567 5.830 4.318 567 HD11 LEU 69 1HD1 LEU 69 0.179 5.436 1.703 568 HD12 LEU 69 2HD1 LEU 69 -0.414 4.624 3.151 569 HD13 LEU 69 3HD1 LEU 69 1.233 4.337 2.592 570 HD21 LEU 69 1HD2 LEU 69 1.736 8.178 3.133 571 HD22 LEU 69 2HD2 LEU 69 1.403 7.218 1.692 572 HD23 LEU 69 3HD2 LEU 69 2.808 6.849 2.692 573 H GLU 70 H GLU 70 -0.358 10.039 6.612 574 HA GLU 70 HA GLU 70 -2.736 9.172 7.965 575 HB2 GLU 70 1HB GLU 70 -2.795 11.526 8.803 576 HB3 GLU 70 2HB GLU 70 -1.284 10.687 9.124 577 HG2 GLU 70 1HG GLU 70 -0.226 11.830 7.264 578 HG3 GLU 70 2HG GLU 70 -1.745 12.637 6.878 579 H ASN 71 H ASN 71 -2.008 10.849 5.031 580 HA ASN 71 HA ASN 71 -4.728 11.847 4.737 581 HB2 ASN 71 1HB ASN 71 -2.142 12.275 3.325 582 HB3 ASN 71 2HB ASN 71 -3.620 12.484 2.390 583 HD21 ASN 71 1HD2 ASN 71 -4.284 14.491 2.314 584 HD22 ASN 71 2HD2 ASN 71 -4.108 15.677 3.558 585 H ASP 72 H ASP 72 -6.270 10.647 3.867 586 HA ASP 72 HA ASP 72 -5.543 8.290 2.297 587 HB2 ASP 72 1HB ASP 72 -8.372 8.930 3.009 588 HB3 ASP 72 2HB ASP 72 -7.570 7.366 2.899 589 H LEU 73 H LEU 73 -6.841 11.448 1.930 590 HA LEU 73 HA LEU 73 -8.207 10.954 -0.548 591 HB2 LEU 73 1HB LEU 73 -7.350 13.506 0.805 592 HB3 LEU 73 2HB LEU 73 -8.305 13.441 -0.675 593 HG LEU 73 HG LEU 73 -9.161 12.391 2.022 594 HD11 LEU 73 1HD1 LEU 73 -10.410 14.289 2.318 595 HD12 LEU 73 2HD1 LEU 73 -10.474 14.652 0.594 596 HD13 LEU 73 3HD1 LEU 73 -8.994 14.955 1.505 597 HD21 LEU 73 1HD2 LEU 73 -10.224 11.049 0.416 598 HD22 LEU 73 2HD2 LEU 73 -10.473 12.409 -0.680 599 HD23 LEU 73 3HD2 LEU 73 -11.402 12.299 0.815 600 H GLN 74 H GLN 74 -4.982 11.226 0.313 601 HA GLN 74 HA GLN 74 -4.158 12.334 -2.265 602 HB2 GLN 74 1HB GLN 74 -2.581 11.644 0.217 603 HB3 GLN 74 2HB GLN 74 -1.863 12.254 -1.268 604 HG2 GLN 74 1HG GLN 74 -3.993 13.739 0.239 605 HG3 GLN 74 2HG GLN 74 -2.271 13.939 0.560 606 HE21 GLN 74 1HE2 GLN 74 -3.133 16.191 -0.036 607 HE22 GLN 74 2HE2 GLN 74 -2.952 16.642 -1.694 608 HA PRO 75 HA PRO 75 -3.394 8.349 -3.982 609 HB2 PRO 75 1HB PRO 75 -1.662 9.077 -5.942 610 HB3 PRO 75 2HB PRO 75 -3.398 9.400 -6.024 611 HG2 PRO 75 1HG PRO 75 -1.166 11.232 -5.233 612 HG3 PRO 75 2HG PRO 75 -2.572 11.561 -6.263 613 HD2 PRO 75 1HD PRO 75 -2.456 12.326 -3.668 614 HD3 PRO 75 2HD PRO 75 -3.977 11.870 -4.462 615 H LEU 76 H LEU 76 -1.276 7.196 -4.937 616 HA LEU 76 HA LEU 76 0.486 6.919 -2.676 617 HB2 LEU 76 1HB LEU 76 0.258 5.534 -5.330 618 HB3 LEU 76 2HB LEU 76 1.590 5.207 -4.223 619 HG LEU 76 HG LEU 76 -0.013 3.487 -3.919 620 HD11 LEU 76 1HD1 LEU 76 0.895 4.986 -1.876 621 HD12 LEU 76 2HD1 LEU 76 -0.079 3.531 -1.668 622 HD13 LEU 76 3HD1 LEU 76 -0.844 5.118 -1.611 623 HD21 LEU 76 1HD2 LEU 76 -2.105 5.613 -3.473 624 HD22 LEU 76 2HD2 LEU 76 -2.347 3.866 -3.475 625 HD23 LEU 76 3HD2 LEU 76 -1.907 4.698 -4.967 626 H GLN 77 H GLN 77 0.600 8.373 -5.844 627 HA GLN 77 HA GLN 77 3.419 8.669 -6.002 628 HB2 GLN 77 1HB GLN 77 2.951 10.260 -7.807 629 HB3 GLN 77 2HB GLN 77 2.000 8.791 -7.988 630 HG2 GLN 77 1HG GLN 77 0.020 9.854 -7.355 631 HG3 GLN 77 2HG GLN 77 0.877 11.227 -6.656 632 HE21 GLN 77 1HE2 GLN 77 -1.216 11.477 -8.483 633 HE22 GLN 77 2HE2 GLN 77 -0.594 12.161 -9.942 634 H PHE 78 H PHE 78 0.910 10.423 -4.391 635 HA PHE 78 HA PHE 78 2.168 12.921 -4.117 636 HB2 PHE 78 1HB PHE 78 -0.230 12.469 -3.612 637 HB3 PHE 78 2HB PHE 78 0.272 11.599 -2.166 638 HD1 PHE 78 2HD PHE 78 0.101 14.901 -3.775 639 HD2 PHE 78 1HD PHE 78 0.940 12.753 -0.198 640 HE1 PHE 78 2HE PHE 78 0.091 17.011 -2.510 641 HE2 PHE 78 1HE PHE 78 0.930 14.859 1.074 642 HZ PHE 78 HZ PHE 78 0.507 16.992 -0.082 643 H TYR 79 H TYR 79 2.652 9.891 -2.506 644 HA TYR 79 HA TYR 79 4.310 11.137 -0.442 645 HB2 TYR 79 1HB TYR 79 3.257 8.334 -0.808 646 HB3 TYR 79 2HB TYR 79 4.444 8.746 0.424 647 HD1 TYR 79 2HD TYR 79 3.825 10.289 2.267 648 HD2 TYR 79 1HD TYR 79 0.951 8.890 -0.541 649 HE1 TYR 79 2HE TYR 79 2.016 10.966 3.790 650 HE2 TYR 79 1HE TYR 79 -0.866 9.565 0.973 651 HH TYR 79 HH TYR 79 -1.395 10.463 2.929 652 H SER 80 H SER 80 4.929 10.716 -3.423 653 HA SER 80 HA SER 80 6.759 10.279 -4.703 654 HB2 SER 80 1HB SER 80 7.798 11.557 -2.709 655 HB3 SER 80 2HB SER 80 8.381 9.977 -2.184 656 HG SER 80 HG SER 80 9.727 9.900 -3.845 657 H VAL 81 H VAL 81 5.104 8.080 -3.599 658 HA VAL 81 HA VAL 81 6.891 5.867 -3.158 659 HB VAL 81 HB VAL 81 3.916 5.904 -3.683 660 HG11 VAL 81 1HG1 VAL 81 4.221 3.588 -2.482 661 HG12 VAL 81 2HG1 VAL 81 4.449 3.739 -4.225 662 HG13 VAL 81 3HG1 VAL 81 5.848 3.699 -3.152 663 HG21 VAL 81 1HG2 VAL 81 3.596 6.279 -1.504 664 HG22 VAL 81 2HG2 VAL 81 4.848 5.130 -1.034 665 HG23 VAL 81 3HG2 VAL 81 5.285 6.785 -1.462 666 H GLU 82 H GLU 82 7.892 4.740 -4.681 667 HA GLU 82 HA GLU 82 6.725 4.683 -7.387 668 HB2 GLU 82 1HB GLU 82 9.522 5.180 -6.482 669 HB3 GLU 82 2HB GLU 82 9.285 4.293 -7.982 670 HG2 GLU 82 1HG GLU 82 8.430 7.092 -7.324 671 HG3 GLU 82 2HG GLU 82 9.539 6.551 -8.583 672 H ASN 83 H ASN 83 7.541 2.800 -8.701 673 HA ASN 83 HA ASN 83 6.839 0.394 -7.513 674 HB2 ASN 83 1HB ASN 83 8.256 -0.554 -9.544 675 HB3 ASN 83 2HB ASN 83 6.721 0.268 -9.806 676 HD21 ASN 83 1HD2 ASN 83 10.151 1.088 -9.395 677 HD22 ASN 83 2HD2 ASN 83 10.199 2.251 -10.671 678 H GLY 84 H GLY 84 7.879 -1.112 -6.345 679 HA2 GLY 84 1HA GLY 84 9.941 -2.370 -5.939 680 HA3 GLY 84 2HA GLY 84 10.809 -0.848 -6.073 681 H ASP 85 H ASP 85 8.919 0.674 -4.504 682 HA ASP 85 HA ASP 85 10.035 0.464 -1.986 683 HB2 ASP 85 1HB ASP 85 7.384 1.604 -2.872 684 HB3 ASP 85 2HB ASP 85 7.973 1.746 -1.217 685 H CYS 86 H CYS 86 8.433 0.206 0.035 686 HA CYS 86 HA CYS 86 7.172 -2.444 -0.238 687 HB2 CYS 86 1HB CYS 86 8.990 -1.353 1.884 688 HB3 CYS 86 2HB CYS 86 7.824 -2.608 2.287 689 HG CYS 86 HG CYS 86 9.460 -3.481 -0.428 690 H LEU 87 H LEU 87 5.401 -2.890 1.195 691 HA LEU 87 HA LEU 87 4.058 -0.458 2.178 692 HB2 LEU 87 1HB LEU 87 2.855 -2.885 0.857 693 HB3 LEU 87 2HB LEU 87 1.917 -1.614 1.640 694 HG LEU 87 HG LEU 87 3.709 -1.204 -0.753 695 HD11 LEU 87 1HD1 LEU 87 1.282 -0.763 -1.721 696 HD12 LEU 87 2HD1 LEU 87 0.849 -1.942 -0.483 697 HD13 LEU 87 3HD1 LEU 87 2.019 -2.365 -1.734 698 HD21 LEU 87 1HD2 LEU 87 3.460 0.790 0.616 699 HD22 LEU 87 2HD2 LEU 87 1.706 0.604 0.596 700 HD23 LEU 87 3HD2 LEU 87 2.572 0.963 -0.898 701 H LEU 88 H LEU 88 3.719 -0.455 4.292 702 HA LEU 88 HA LEU 88 3.674 -3.028 5.716 703 HB2 LEU 88 1HB LEU 88 4.148 -0.327 6.944 704 HB3 LEU 88 2HB LEU 88 4.480 -1.912 7.640 705 HG LEU 88 HG LEU 88 5.942 -1.012 5.188 706 HD11 LEU 88 1HD1 LEU 88 6.056 0.257 7.772 707 HD12 LEU 88 2HD1 LEU 88 6.877 0.684 6.271 708 HD13 LEU 88 3HD1 LEU 88 7.600 -0.494 7.366 709 HD21 LEU 88 1HD2 LEU 88 7.562 -2.574 5.869 710 HD22 LEU 88 2HD2 LEU 88 6.011 -3.372 6.130 711 HD23 LEU 88 3HD2 LEU 88 6.892 -2.686 7.496 712 H VAL 89 H VAL 89 1.751 -3.695 6.376 713 HA VAL 89 HA VAL 89 -0.378 -1.713 6.794 714 HB VAL 89 HB VAL 89 -0.561 -4.695 6.345 715 HG11 VAL 89 1HG1 VAL 89 -2.488 -4.478 7.480 716 HG12 VAL 89 2HG1 VAL 89 -2.509 -2.721 7.312 717 HG13 VAL 89 3HG1 VAL 89 -3.075 -3.742 5.989 718 HG21 VAL 89 1HG2 VAL 89 -1.956 -3.515 4.341 719 HG22 VAL 89 2HG2 VAL 89 -0.660 -2.343 4.585 720 HG23 VAL 89 3HG2 VAL 89 -0.272 -4.023 4.216 721 H ARG 90 H ARG 90 -0.453 -1.078 8.858 722 HA ARG 90 HA ARG 90 -0.675 -3.146 10.921 723 HB2 ARG 90 1HB ARG 90 0.727 -1.738 12.447 724 HB3 ARG 90 2HB ARG 90 1.612 -2.463 11.111 725 HG2 ARG 90 1HG ARG 90 1.441 -0.309 9.895 726 HG3 ARG 90 2HG ARG 90 0.692 0.393 11.331 727 HD2 ARG 90 1HD ARG 90 2.750 -0.356 12.602 728 HD3 ARG 90 2HD ARG 90 3.481 -0.695 11.033 729 HE ARG 90 HE ARG 90 2.581 1.889 10.863 730 HH11 ARG 90 2HH1 ARG 90 4.754 0.131 12.938 731 HH12 ARG 90 1HH1 ARG 90 5.756 1.505 13.271 732 HH21 ARG 90 2HH2 ARG 90 3.892 3.705 11.293 733 HH22 ARG 90 1HH2 ARG 90 5.264 3.538 12.336 734 H TRP 91 H TRP 91 -2.059 -2.657 12.590 735 HA TRP 91 HA TRP 91 -3.366 -0.022 12.508 736 HB2 TRP 91 1HB TRP 91 -5.535 -1.116 12.931 737 HB3 TRP 91 2HB TRP 91 -4.834 -1.627 11.398 738 HD1 TRP 91 HD TRP 91 -6.058 -2.963 14.689 739 HE1 TRP 91 1HE TRP 91 -5.815 -5.525 14.727 740 HE3 TRP 91 3HE TRP 91 -3.217 -3.569 10.483 741 HZ2 TRP 91 2HZ TRP 91 -4.581 -7.537 13.178 742 HZ3 TRP 91 3HZ TRP 91 -2.546 -5.845 9.831 743 HH2 TRP 91 HH TRP 91 -3.215 -7.786 11.152 744 H SER 92 H SER 92 -4.446 0.582 14.510 745 HA SER 92 HA SER 92 -2.913 -0.319 16.813 746 HB2 SER 92 1HB SER 92 -3.165 2.093 16.448 747 HB3 SER 92 2HB SER 92 -4.918 1.934 16.538 748 HG SER 92 HG SER 92 -3.004 1.623 18.587 749 H GLY 93 H GLY 93 -6.344 0.122 15.952 750 HA2 GLY 93 1HA GLY 93 -8.248 -0.868 16.770 751 HA3 GLY 93 2HA GLY 93 -7.242 -2.293 16.991 752 HA PRO 94 HA PRO 94 -7.121 0.197 21.152 753 HB2 PRO 94 1HB PRO 94 -8.990 2.148 21.416 754 HB3 PRO 94 2HB PRO 94 -7.372 2.448 20.769 755 HG2 PRO 94 1HG PRO 94 -9.953 2.044 19.306 756 HG3 PRO 94 2HG PRO 94 -8.667 3.226 19.001 757 HD2 PRO 94 1HD PRO 94 -8.930 0.953 17.553 758 HD3 PRO 94 2HD PRO 94 -7.353 1.696 17.886 759 H SER 95 H SER 95 -8.596 0.200 23.062 760 HA SER 95 HA SER 95 -10.110 -2.047 23.280 761 HB2 SER 95 1HB SER 95 -10.396 0.579 24.746 762 HB3 SER 95 2HB SER 95 -11.289 -0.872 25.202 763 HG SER 95 HG SER 95 -9.508 -1.748 25.960 764 H SER 96 H SER 96 -11.733 -2.678 22.020 765 HA SER 96 HA SER 96 -13.529 -0.814 20.775 766 HB2 SER 96 1HB SER 96 -12.868 -2.836 19.583 767 HB3 SER 96 2HB SER 96 -13.553 -3.842 20.859 768 HG SER 96 HG SER 96 -15.580 -3.202 20.276 769 H GLY 97 H GLY 97 -15.395 -0.078 21.548 770 HA2 GLY 97 1HA GLY 97 -17.251 -1.590 23.024 771 HA3 GLY 97 2HA GLY 97 -16.294 -0.634 24.147 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -4.167 -1.940 -17.122 2 HA2 GLY 1 1HA GLY 1 -2.350 -1.590 -18.561 3 HA3 GLY 1 2HA GLY 1 -3.327 -2.173 -19.900 4 H SER 2 H SER 2 -3.497 0.508 -17.550 5 HA SER 2 HA SER 2 -4.685 2.254 -19.493 6 HB2 SER 2 1HB SER 2 -4.661 3.925 -17.732 7 HB3 SER 2 2HB SER 2 -5.195 2.386 -17.057 8 HG SER 2 HG SER 2 -2.468 2.912 -16.972 9 H SER 3 H SER 3 -3.753 3.819 -20.697 10 HA SER 3 HA SER 3 -0.876 4.313 -20.335 11 HB2 SER 3 1HB SER 3 -2.318 3.695 -22.918 12 HB3 SER 3 2HB SER 3 -0.707 4.411 -22.860 13 HG SER 3 HG SER 3 0.002 2.565 -21.737 14 H GLY 4 H GLY 4 -3.776 5.424 -22.092 15 HA2 GLY 4 1HA GLY 4 -2.944 7.994 -22.699 16 HA3 GLY 4 2HA GLY 4 -4.617 7.536 -22.416 17 H SER 5 H SER 5 -4.991 7.129 -19.907 18 HA SER 5 HA SER 5 -5.034 9.574 -18.659 19 HB2 SER 5 1HB SER 5 -5.086 6.777 -17.539 20 HB3 SER 5 2HB SER 5 -5.223 8.190 -16.492 21 HG SER 5 HG SER 5 -6.935 8.728 -18.264 22 H SER 6 H SER 6 -3.938 10.178 -16.573 23 HA SER 6 HA SER 6 -1.049 9.875 -16.929 24 HB2 SER 6 1HB SER 6 -2.014 12.165 -16.801 25 HB3 SER 6 2HB SER 6 -2.562 11.814 -15.162 26 HG SER 6 HG SER 6 -0.160 11.241 -14.913 27 H GLY 7 H GLY 7 -0.954 7.738 -16.036 28 HA2 GLY 7 1HA GLY 7 -0.227 7.667 -13.326 29 HA3 GLY 7 2HA GLY 7 -1.866 7.047 -13.468 30 H GLN 8 H GLN 8 0.613 5.684 -12.667 31 HA GLN 8 HA GLN 8 0.442 3.472 -14.585 32 HB2 GLN 8 1HB GLN 8 2.851 3.117 -14.496 33 HB3 GLN 8 2HB GLN 8 2.491 4.728 -15.102 34 HG2 GLN 8 1HG GLN 8 3.013 4.372 -12.195 35 HG3 GLN 8 2HG GLN 8 4.369 4.334 -13.321 36 HE21 GLN 8 1HE2 GLN 8 4.570 6.258 -11.614 37 HE22 GLN 8 2HE2 GLN 8 4.118 7.794 -12.264 38 H LEU 9 H LEU 9 0.901 1.402 -13.708 39 HA LEU 9 HA LEU 9 0.185 1.179 -10.921 40 HB2 LEU 9 1HB LEU 9 0.475 -0.678 -13.219 41 HB3 LEU 9 2HB LEU 9 0.618 -1.353 -11.597 42 HG LEU 9 HG LEU 9 -1.676 0.000 -11.301 43 HD11 LEU 9 1HD1 LEU 9 -1.210 -0.085 -14.152 44 HD12 LEU 9 2HD1 LEU 9 -2.458 0.759 -13.237 45 HD13 LEU 9 3HD1 LEU 9 -2.698 -0.923 -13.710 46 HD21 LEU 9 1HD2 LEU 9 -2.821 -2.159 -11.850 47 HD22 LEU 9 2HD2 LEU 9 -1.453 -2.306 -10.746 48 HD23 LEU 9 3HD2 LEU 9 -1.271 -2.759 -12.441 49 H LEU 10 H LEU 10 1.484 0.687 -9.250 50 HA LEU 10 HA LEU 10 4.348 0.389 -9.819 51 HB2 LEU 10 1HB LEU 10 3.332 0.862 -7.069 52 HB3 LEU 10 2HB LEU 10 4.810 1.434 -7.840 53 HG LEU 10 HG LEU 10 2.028 2.550 -8.154 54 HD11 LEU 10 1HD1 LEU 10 4.306 3.175 -6.493 55 HD12 LEU 10 2HD1 LEU 10 2.661 3.808 -6.437 56 HD13 LEU 10 3HD1 LEU 10 3.852 4.543 -7.510 57 HD21 LEU 10 1HD2 LEU 10 2.979 4.160 -9.700 58 HD22 LEU 10 2HD2 LEU 10 3.194 2.521 -10.317 59 HD23 LEU 10 3HD2 LEU 10 4.554 3.373 -9.583 60 H THR 11 H THR 11 5.596 -1.181 -8.732 61 HA THR 11 HA THR 11 4.036 -3.523 -7.876 62 HB THR 11 HB THR 11 6.913 -3.468 -8.804 63 HG1 THR 11 1HG THR 11 4.754 -4.485 -10.317 64 HG21 THR 11 1HG2 THR 11 6.652 -5.417 -7.550 65 HG22 THR 11 2HG2 THR 11 6.303 -5.953 -9.194 66 HG23 THR 11 3HG2 THR 11 4.982 -5.642 -8.068 67 H LEU 12 H LEU 12 3.841 -3.497 -5.717 68 HA LEU 12 HA LEU 12 6.308 -3.232 -4.136 69 HB2 LEU 12 1HB LEU 12 3.628 -2.297 -3.157 70 HB3 LEU 12 2HB LEU 12 5.218 -1.975 -2.467 71 HG LEU 12 HG LEU 12 4.522 -0.926 -5.182 72 HD11 LEU 12 1HD1 LEU 12 3.004 -0.335 -2.918 73 HD12 LEU 12 2HD1 LEU 12 3.051 0.558 -4.437 74 HD13 LEU 12 3HD1 LEU 12 4.110 1.025 -3.107 75 HD21 LEU 12 1HD2 LEU 12 6.682 -0.364 -4.873 76 HD22 LEU 12 2HD2 LEU 12 6.581 -0.507 -3.118 77 HD23 LEU 12 3HD2 LEU 12 5.992 0.950 -3.920 78 H LYS 13 H LYS 13 5.974 -4.136 -1.864 79 HA LYS 13 HA LYS 13 4.385 -6.611 -2.050 80 HB2 LYS 13 1HB LYS 13 7.099 -6.061 -0.903 81 HB3 LYS 13 2HB LYS 13 6.133 -7.383 -0.261 82 HG2 LYS 13 1HG LYS 13 6.256 -8.601 -2.209 83 HG3 LYS 13 2HG LYS 13 6.567 -7.177 -3.205 84 HD2 LYS 13 1HD LYS 13 8.804 -7.161 -2.722 85 HD3 LYS 13 2HD LYS 13 8.578 -7.907 -1.139 86 HE2 LYS 13 1HE LYS 13 7.931 -10.018 -2.402 87 HE3 LYS 13 2HE LYS 13 8.564 -9.223 -3.843 88 HZ1 LYS 13 1HZ LYS 13 10.195 -9.484 -1.394 89 HZ2 LYS 13 2HZ LYS 13 10.710 -9.206 -2.981 90 HZ3 LYS 13 3HZ LYS 13 10.124 -10.730 -2.536 91 H ILE 14 H ILE 14 2.892 -6.977 -0.531 92 HA ILE 14 HA ILE 14 2.519 -4.986 1.550 93 HB ILE 14 HB ILE 14 0.820 -7.358 0.769 94 HG12 ILE 14 1HG1 ILE 14 -0.714 -5.373 0.069 95 HG13 ILE 14 2HG1 ILE 14 0.774 -4.432 0.088 96 HG21 ILE 14 1HG2 ILE 14 -0.535 -5.304 2.264 97 HG22 ILE 14 2HG2 ILE 14 -0.428 -7.035 2.578 98 HG23 ILE 14 3HG2 ILE 14 0.827 -5.951 3.179 99 HD11 ILE 14 1HD1 ILE 14 1.724 -5.729 -1.635 100 HD12 ILE 14 2HD1 ILE 14 0.468 -6.961 -1.499 101 HD13 ILE 14 3HD1 ILE 14 0.073 -5.365 -2.138 102 H LYS 15 H LYS 15 3.086 -5.234 3.608 103 HA LYS 15 HA LYS 15 3.283 -7.892 4.777 104 HB2 LYS 15 1HB LYS 15 5.522 -7.600 3.943 105 HB3 LYS 15 2HB LYS 15 5.613 -5.976 4.612 106 HG2 LYS 15 1HG LYS 15 5.371 -7.017 6.889 107 HG3 LYS 15 2HG LYS 15 5.583 -8.585 6.104 108 HD2 LYS 15 1HD LYS 15 7.743 -8.079 6.755 109 HD3 LYS 15 2HD LYS 15 7.716 -7.486 5.093 110 HE2 LYS 15 1HE LYS 15 8.656 -5.691 6.166 111 HE3 LYS 15 2HE LYS 15 6.950 -5.252 6.236 112 HZ1 LYS 15 1HZ LYS 15 7.025 -6.486 8.485 113 HZ2 LYS 15 2HZ LYS 15 7.646 -4.915 8.389 114 HZ3 LYS 15 3HZ LYS 15 8.696 -6.241 8.390 115 H CYS 16 H CYS 16 2.265 -7.823 6.659 116 HA CYS 16 HA CYS 16 1.492 -5.385 7.891 117 HB2 CYS 16 1HB CYS 16 0.118 -7.407 8.049 118 HB3 CYS 16 2HB CYS 16 1.393 -8.215 8.954 119 HG CYS 16 HG CYS 16 0.175 -5.329 10.230 120 H SER 17 H SER 17 2.389 -4.246 9.506 121 HA SER 17 HA SER 17 5.069 -4.925 10.329 122 HB2 SER 17 1HB SER 17 3.263 -2.563 10.798 123 HB3 SER 17 2HB SER 17 4.783 -2.736 11.676 124 HG SER 17 HG SER 17 4.844 -3.056 8.906 125 H ASN 18 H ASN 18 1.896 -5.309 11.568 126 HA ASN 18 HA ASN 18 2.909 -5.816 14.276 127 HB2 ASN 18 1HB ASN 18 0.902 -4.285 13.856 128 HB3 ASN 18 2HB ASN 18 0.010 -5.748 13.448 129 HD21 ASN 18 1HD2 ASN 18 2.107 -4.447 15.993 130 HD22 ASN 18 2HD2 ASN 18 1.228 -5.140 17.308 131 H GLN 19 H GLN 19 2.294 -7.446 11.470 132 HA GLN 19 HA GLN 19 1.946 -9.972 12.928 133 HB2 GLN 19 1HB GLN 19 0.615 -9.437 10.276 134 HB3 GLN 19 2HB GLN 19 0.361 -10.801 11.357 135 HG2 GLN 19 1HG GLN 19 -0.227 -8.090 12.399 136 HG3 GLN 19 2HG GLN 19 -1.332 -8.776 11.210 137 HE21 GLN 19 1HE2 GLN 19 -3.028 -9.030 12.607 138 HE22 GLN 19 2HE2 GLN 19 -3.027 -10.175 13.901 139 HA PRO 20 HA PRO 20 5.660 -10.264 10.259 140 HB2 PRO 20 1HB PRO 20 7.007 -11.892 11.963 141 HB3 PRO 20 2HB PRO 20 6.989 -10.133 12.128 142 HG2 PRO 20 1HG PRO 20 5.371 -12.188 13.584 143 HG3 PRO 20 2HG PRO 20 6.180 -10.745 14.221 144 HD2 PRO 20 1HD PRO 20 3.522 -10.820 13.711 145 HD3 PRO 20 2HD PRO 20 4.486 -9.340 13.536 146 H GLU 21 H GLU 21 4.091 -12.882 12.090 147 HA GLU 21 HA GLU 21 4.989 -15.061 10.658 148 HB2 GLU 21 1HB GLU 21 2.253 -14.637 11.871 149 HB3 GLU 21 2HB GLU 21 2.896 -16.192 11.362 150 HG2 GLU 21 1HG GLU 21 4.685 -16.000 13.005 151 HG3 GLU 21 2HG GLU 21 4.057 -14.433 13.511 152 H ARG 22 H ARG 22 2.325 -12.871 9.904 153 HA ARG 22 HA ARG 22 1.093 -14.183 7.834 154 HB2 ARG 22 1HB ARG 22 1.550 -11.310 8.472 155 HB3 ARG 22 2HB ARG 22 0.932 -11.705 6.874 156 HG2 ARG 22 1HG ARG 22 -0.827 -13.098 8.151 157 HG3 ARG 22 2HG ARG 22 -0.337 -12.132 9.545 158 HD2 ARG 22 1HD ARG 22 -2.100 -10.904 8.687 159 HD3 ARG 22 2HD ARG 22 -0.701 -10.116 7.958 160 HE ARG 22 HE ARG 22 -1.504 -10.731 5.919 161 HH11 ARG 22 2HH1 ARG 22 -2.875 -12.841 8.324 162 HH12 ARG 22 1HH1 ARG 22 -3.900 -13.670 7.200 163 HH21 ARG 22 2HH2 ARG 22 -2.849 -11.815 4.429 164 HH22 ARG 22 1HH2 ARG 22 -3.884 -13.086 4.985 165 H GLN 23 H GLN 23 1.528 -14.643 5.747 166 HA GLN 23 HA GLN 23 4.233 -14.460 4.843 167 HB2 GLN 23 1HB GLN 23 2.872 -16.397 4.282 168 HB3 GLN 23 2HB GLN 23 1.726 -15.375 3.425 169 HG2 GLN 23 1HG GLN 23 2.957 -16.236 1.697 170 HG3 GLN 23 2HG GLN 23 3.792 -14.713 1.996 171 HE21 GLN 23 1HE2 GLN 23 4.412 -17.685 1.136 172 HE22 GLN 23 2HE2 GLN 23 5.915 -17.978 1.936 173 H ILE 24 H ILE 24 5.107 -13.209 3.234 174 HA ILE 24 HA ILE 24 3.828 -10.687 2.744 175 HB ILE 24 HB ILE 24 6.426 -11.827 1.714 176 HG12 ILE 24 1HG1 ILE 24 5.992 -9.618 3.724 177 HG13 ILE 24 2HG1 ILE 24 6.157 -11.306 4.193 178 HG21 ILE 24 1HG2 ILE 24 6.009 -10.267 0.094 179 HG22 ILE 24 2HG2 ILE 24 5.028 -9.262 1.159 180 HG23 ILE 24 3HG2 ILE 24 6.785 -9.250 1.308 181 HD11 ILE 24 1HD1 ILE 24 8.375 -11.325 3.827 182 HD12 ILE 24 2HD1 ILE 24 8.267 -10.243 2.437 183 HD13 ILE 24 3HD1 ILE 24 8.203 -9.587 4.073 184 H LEU 25 H LEU 25 3.086 -9.857 0.809 185 HA LEU 25 HA LEU 25 2.873 -11.735 -1.444 186 HB2 LEU 25 1HB LEU 25 0.719 -10.143 -0.111 187 HB3 LEU 25 2HB LEU 25 0.587 -10.568 -1.817 188 HG LEU 25 HG LEU 25 1.033 -12.678 0.268 189 HD11 LEU 25 1HD1 LEU 25 -1.678 -11.772 -0.664 190 HD12 LEU 25 2HD1 LEU 25 -0.953 -11.237 0.852 191 HD13 LEU 25 3HD1 LEU 25 -1.291 -12.948 0.592 192 HD21 LEU 25 1HD2 LEU 25 -0.500 -12.871 -2.302 193 HD22 LEU 25 2HD2 LEU 25 0.251 -14.157 -1.358 194 HD23 LEU 25 3HD2 LEU 25 1.256 -13.027 -2.266 195 H GLU 26 H GLU 26 2.006 -10.474 -3.449 196 HA GLU 26 HA GLU 26 3.194 -7.790 -3.548 197 HB2 GLU 26 1HB GLU 26 4.663 -9.745 -4.479 198 HB3 GLU 26 2HB GLU 26 3.565 -9.671 -5.850 199 HG2 GLU 26 1HG GLU 26 4.115 -7.208 -5.987 200 HG3 GLU 26 2HG GLU 26 5.412 -7.534 -4.839 201 H LYS 27 H LYS 27 1.865 -6.347 -4.417 202 HA LYS 27 HA LYS 27 -0.130 -7.238 -6.379 203 HB2 LYS 27 1HB LYS 27 -1.184 -7.067 -4.130 204 HB3 LYS 27 2HB LYS 27 -0.721 -5.371 -4.076 205 HG2 LYS 27 1HG LYS 27 -2.853 -5.144 -4.812 206 HG3 LYS 27 2HG LYS 27 -2.039 -5.315 -6.369 207 HD2 LYS 27 1HD LYS 27 -2.483 -7.837 -6.079 208 HD3 LYS 27 2HD LYS 27 -3.647 -7.341 -4.849 209 HE2 LYS 27 1HE LYS 27 -5.020 -7.372 -6.668 210 HE3 LYS 27 2HE LYS 27 -4.437 -5.712 -6.779 211 HZ1 LYS 27 1HZ LYS 27 -4.190 -6.556 -8.915 212 HZ2 LYS 27 2HZ LYS 27 -3.622 -8.056 -8.379 213 HZ3 LYS 27 3HZ LYS 27 -2.632 -6.689 -8.267 214 H GLN 28 H GLN 28 -0.711 -5.720 -7.930 215 HA GLN 28 HA GLN 28 1.031 -3.351 -8.035 216 HB2 GLN 28 1HB GLN 28 -0.209 -5.020 -10.217 217 HB3 GLN 28 2HB GLN 28 0.505 -3.443 -10.524 218 HG2 GLN 28 1HG GLN 28 2.644 -4.273 -9.615 219 HG3 GLN 28 2HG GLN 28 1.912 -5.866 -9.428 220 HE21 GLN 28 1HE2 GLN 28 3.328 -3.614 -11.588 221 HE22 GLN 28 2HE2 GLN 28 3.284 -4.603 -13.004 222 H LEU 29 H LEU 29 0.093 -1.452 -7.728 223 HA LEU 29 HA LEU 29 -2.682 -1.073 -8.612 224 HB2 LEU 29 1HB LEU 29 -1.624 0.033 -6.024 225 HB3 LEU 29 2HB LEU 29 -3.286 0.054 -6.610 226 HG LEU 29 HG LEU 29 -3.111 -1.546 -4.835 227 HD11 LEU 29 1HD1 LEU 29 -4.555 -2.784 -5.970 228 HD12 LEU 29 2HD1 LEU 29 -3.210 -3.656 -6.704 229 HD13 LEU 29 3HD1 LEU 29 -3.872 -2.227 -7.498 230 HD21 LEU 29 1HD2 LEU 29 -0.530 -1.905 -5.654 231 HD22 LEU 29 2HD2 LEU 29 -1.297 -3.403 -6.182 232 HD23 LEU 29 3HD2 LEU 29 -1.379 -2.920 -4.488 233 HA PRO 30 HA PRO 30 -1.145 2.605 -10.470 234 HB2 PRO 30 1HB PRO 30 -3.442 4.047 -10.594 235 HB3 PRO 30 2HB PRO 30 -3.118 2.664 -11.646 236 HG2 PRO 30 1HG PRO 30 -4.757 2.798 -9.145 237 HG3 PRO 30 2HG PRO 30 -5.115 1.974 -10.674 238 HD2 PRO 30 1HD PRO 30 -4.171 0.664 -8.501 239 HD3 PRO 30 2HD PRO 30 -3.779 0.168 -10.159 240 H ASP 31 H ASP 31 0.002 4.195 -9.586 241 HA ASP 31 HA ASP 31 -0.075 5.002 -6.956 242 HB2 ASP 31 1HB ASP 31 1.161 7.051 -7.739 243 HB3 ASP 31 2HB ASP 31 1.839 5.524 -8.296 244 H SER 32 H SER 32 -2.200 5.870 -9.498 245 HA SER 32 HA SER 32 -3.082 8.378 -8.512 246 HB2 SER 32 1HB SER 32 -3.434 7.308 -10.854 247 HB3 SER 32 2HB SER 32 -4.833 6.531 -10.113 248 HG SER 32 HG SER 32 -5.741 8.502 -9.751 249 H MET 33 H MET 33 -4.064 5.054 -7.928 250 HA MET 33 HA MET 33 -6.489 5.417 -6.663 251 HB2 MET 33 1HB MET 33 -5.064 3.258 -7.186 252 HB3 MET 33 2HB MET 33 -4.550 3.454 -5.515 253 HG2 MET 33 1HG MET 33 -6.599 2.940 -4.674 254 HG3 MET 33 2HG MET 33 -7.456 3.552 -6.086 255 HE1 MET 33 1HE MET 33 -6.691 -0.501 -4.828 256 HE2 MET 33 2HE MET 33 -5.072 0.027 -5.286 257 HE3 MET 33 3HE MET 33 -6.022 0.981 -4.146 258 H THR 34 H THR 34 -7.129 6.363 -4.840 259 HA THR 34 HA THR 34 -5.296 7.776 -3.192 260 HB THR 34 HB THR 34 -7.365 8.122 -1.721 261 HG1 THR 34 1HG THR 34 -8.314 6.143 -3.006 262 HG21 THR 34 1HG2 THR 34 -8.200 9.051 -4.364 263 HG22 THR 34 2HG2 THR 34 -6.503 9.372 -4.009 264 HG23 THR 34 3HG2 THR 34 -7.759 9.973 -2.927 265 H VAL 35 H VAL 35 -4.415 7.278 -1.261 266 HA VAL 35 HA VAL 35 -3.839 4.798 -0.409 267 HB VAL 35 HB VAL 35 -4.357 7.226 1.300 268 HG11 VAL 35 1HG1 VAL 35 -3.058 6.031 3.061 269 HG12 VAL 35 2HG1 VAL 35 -4.650 5.337 2.746 270 HG13 VAL 35 3HG1 VAL 35 -3.204 4.559 2.101 271 HG21 VAL 35 1HG2 VAL 35 -2.436 6.957 -0.476 272 HG22 VAL 35 2HG2 VAL 35 -2.123 7.699 1.093 273 HG23 VAL 35 3HG2 VAL 35 -1.680 6.016 0.810 274 H GLN 36 H GLN 36 -6.819 6.539 0.304 275 HA GLN 36 HA GLN 36 -7.901 4.838 2.222 276 HB2 GLN 36 1HB GLN 36 -8.739 7.121 1.178 277 HB3 GLN 36 2HB GLN 36 -9.694 6.046 0.165 278 HG2 GLN 36 1HG GLN 36 -10.340 4.969 2.468 279 HG3 GLN 36 2HG GLN 36 -9.866 6.550 3.089 280 HE21 GLN 36 1HE2 GLN 36 -10.909 8.429 2.088 281 HE22 GLN 36 2HE2 GLN 36 -12.553 8.285 1.578 282 H LYS 37 H LYS 37 -8.260 4.740 -1.315 283 HA LYS 37 HA LYS 37 -9.954 2.553 -1.509 284 HB2 LYS 37 1HB LYS 37 -7.937 3.810 -3.298 285 HB3 LYS 37 2HB LYS 37 -8.508 2.204 -3.731 286 HG2 LYS 37 1HG LYS 37 -10.867 3.303 -3.336 287 HG3 LYS 37 2HG LYS 37 -9.972 4.788 -3.665 288 HD2 LYS 37 1HD LYS 37 -9.561 4.219 -5.841 289 HD3 LYS 37 2HD LYS 37 -9.578 2.487 -5.506 290 HE2 LYS 37 1HE LYS 37 -11.965 2.468 -5.375 291 HE3 LYS 37 2HE LYS 37 -12.036 4.228 -5.439 292 HZ1 LYS 37 1HZ LYS 37 -11.399 2.329 -7.604 293 HZ2 LYS 37 2HZ LYS 37 -10.895 3.941 -7.696 294 HZ3 LYS 37 3HZ LYS 37 -12.543 3.575 -7.588 295 H VAL 38 H VAL 38 -6.401 2.605 -1.434 296 HA VAL 38 HA VAL 38 -5.993 -0.153 -1.707 297 HB VAL 38 HB VAL 38 -4.242 1.735 -0.131 298 HG11 VAL 38 1HG1 VAL 38 -2.448 0.229 -0.732 299 HG12 VAL 38 2HG1 VAL 38 -3.732 -0.671 0.077 300 HG13 VAL 38 3HG1 VAL 38 -3.558 -0.764 -1.676 301 HG21 VAL 38 1HG2 VAL 38 -3.051 2.123 -2.253 302 HG22 VAL 38 2HG2 VAL 38 -4.297 1.207 -3.102 303 HG23 VAL 38 3HG2 VAL 38 -4.710 2.720 -2.296 304 H LYS 39 H LYS 39 -6.622 1.836 1.129 305 HA LYS 39 HA LYS 39 -6.117 -0.201 3.048 306 HB2 LYS 39 1HB LYS 39 -7.717 2.357 3.216 307 HB3 LYS 39 2HB LYS 39 -7.387 1.316 4.594 308 HG2 LYS 39 1HG LYS 39 -4.974 1.661 4.244 309 HG3 LYS 39 2HG LYS 39 -5.346 2.763 2.917 310 HD2 LYS 39 1HD LYS 39 -6.200 4.384 4.330 311 HD3 LYS 39 2HD LYS 39 -6.553 3.224 5.614 312 HE2 LYS 39 1HE LYS 39 -4.151 2.966 6.028 313 HE3 LYS 39 2HE LYS 39 -3.807 4.132 4.751 314 HZ1 LYS 39 1HZ LYS 39 -5.653 5.190 6.634 315 HZ2 LYS 39 2HZ LYS 39 -4.153 5.801 6.148 316 HZ3 LYS 39 3HZ LYS 39 -4.239 4.679 7.410 317 H GLY 40 H GLY 40 -8.971 0.851 1.278 318 HA2 GLY 40 1HA GLY 40 -10.829 -0.712 2.779 319 HA3 GLY 40 2HA GLY 40 -11.120 0.024 1.210 320 H LEU 41 H LEU 41 -8.652 -1.424 0.193 321 HA LEU 41 HA LEU 41 -10.014 -3.667 -0.879 322 HB2 LEU 41 1HB LEU 41 -8.363 -2.707 -2.237 323 HB3 LEU 41 2HB LEU 41 -7.165 -2.733 -0.945 324 HG LEU 41 HG LEU 41 -7.457 -5.344 -1.192 325 HD11 LEU 41 1HD1 LEU 41 -9.266 -5.174 -2.845 326 HD12 LEU 41 2HD1 LEU 41 -7.857 -6.018 -3.485 327 HD13 LEU 41 3HD1 LEU 41 -8.167 -4.344 -3.947 328 HD21 LEU 41 1HD2 LEU 41 -5.762 -4.952 -3.274 329 HD22 LEU 41 2HD2 LEU 41 -5.315 -4.788 -1.576 330 HD23 LEU 41 3HD2 LEU 41 -5.747 -3.359 -2.517 331 H LEU 42 H LEU 42 -7.637 -3.271 1.695 332 HA LEU 42 HA LEU 42 -7.473 -6.125 2.161 333 HB2 LEU 42 1HB LEU 42 -6.332 -3.817 3.729 334 HB3 LEU 42 2HB LEU 42 -5.956 -5.520 3.982 335 HG LEU 42 HG LEU 42 -5.420 -4.304 1.311 336 HD11 LEU 42 1HD1 LEU 42 -4.002 -3.679 3.847 337 HD12 LEU 42 2HD1 LEU 42 -4.281 -2.672 2.427 338 HD13 LEU 42 3HD1 LEU 42 -3.043 -3.927 2.387 339 HD21 LEU 42 1HD2 LEU 42 -4.893 -6.757 2.662 340 HD22 LEU 42 2HD2 LEU 42 -3.358 -5.973 2.288 341 HD23 LEU 42 3HD2 LEU 42 -4.516 -6.304 1.000 342 H SER 43 H SER 43 -8.952 -3.293 3.640 343 HA SER 43 HA SER 43 -9.730 -4.060 6.087 344 HB2 SER 43 1HB SER 43 -10.540 -1.974 5.377 345 HB3 SER 43 2HB SER 43 -11.305 -2.656 3.942 346 HG SER 43 HG SER 43 -12.220 -2.522 6.555 347 H ARG 44 H ARG 44 -11.079 -5.285 3.070 348 HA ARG 44 HA ARG 44 -13.127 -6.840 4.305 349 HB2 ARG 44 1HB ARG 44 -11.893 -6.926 1.551 350 HB3 ARG 44 2HB ARG 44 -13.228 -7.960 2.044 351 HG2 ARG 44 1HG ARG 44 -13.402 -4.978 2.268 352 HG3 ARG 44 2HG ARG 44 -13.768 -5.818 0.760 353 HD2 ARG 44 1HD ARG 44 -15.475 -7.134 1.891 354 HD3 ARG 44 2HD ARG 44 -15.085 -6.348 3.421 355 HE ARG 44 HE ARG 44 -16.638 -5.256 1.244 356 HH11 ARG 44 2HH1 ARG 44 -14.805 -4.581 4.125 357 HH12 ARG 44 1HH1 ARG 44 -15.577 -3.057 4.416 358 HH21 ARG 44 2HH2 ARG 44 -17.661 -3.252 1.615 359 HH22 ARG 44 1HH2 ARG 44 -17.202 -2.303 2.988 360 H LEU 45 H LEU 45 -9.871 -7.536 3.105 361 HA LEU 45 HA LEU 45 -9.967 -10.328 3.563 362 HB2 LEU 45 1HB LEU 45 -8.318 -9.582 2.080 363 HB3 LEU 45 2HB LEU 45 -7.744 -8.349 3.201 364 HG LEU 45 HG LEU 45 -6.645 -9.987 4.550 365 HD11 LEU 45 1HD1 LEU 45 -8.287 -11.896 2.970 366 HD12 LEU 45 2HD1 LEU 45 -7.928 -11.869 4.696 367 HD13 LEU 45 3HD1 LEU 45 -6.707 -12.422 3.550 368 HD21 LEU 45 1HD2 LEU 45 -5.589 -11.250 2.272 369 HD22 LEU 45 2HD2 LEU 45 -4.958 -9.837 3.118 370 HD23 LEU 45 3HD2 LEU 45 -6.074 -9.631 1.767 371 H LEU 46 H LEU 46 -8.555 -7.665 5.459 372 HA LEU 46 HA LEU 46 -8.153 -9.476 7.712 373 HB2 LEU 46 1HB LEU 46 -7.420 -6.571 7.377 374 HB3 LEU 46 2HB LEU 46 -6.980 -7.589 8.746 375 HG LEU 46 HG LEU 46 -6.113 -8.343 5.984 376 HD11 LEU 46 1HD1 LEU 46 -4.786 -6.314 7.773 377 HD12 LEU 46 2HD1 LEU 46 -5.437 -6.042 6.157 378 HD13 LEU 46 3HD1 LEU 46 -4.025 -7.076 6.375 379 HD21 LEU 46 1HD2 LEU 46 -5.558 -9.133 8.738 380 HD22 LEU 46 2HD2 LEU 46 -4.105 -8.864 7.775 381 HD23 LEU 46 3HD2 LEU 46 -5.322 -10.020 7.232 382 H LYS 47 H LYS 47 -10.782 -8.214 6.640 383 HA LYS 47 HA LYS 47 -12.657 -7.167 7.472 384 HB2 LYS 47 1HB LYS 47 -11.959 -8.860 9.876 385 HB3 LYS 47 2HB LYS 47 -13.561 -8.319 9.391 386 HG2 LYS 47 1HG LYS 47 -13.623 -10.450 8.606 387 HG3 LYS 47 2HG LYS 47 -12.957 -9.639 7.187 388 HD2 LYS 47 1HD LYS 47 -10.668 -10.197 8.092 389 HD3 LYS 47 2HD LYS 47 -11.477 -11.220 9.281 390 HE2 LYS 47 1HE LYS 47 -12.627 -12.287 7.224 391 HE3 LYS 47 2HE LYS 47 -11.326 -11.532 6.304 392 HZ1 LYS 47 1HZ LYS 47 -9.777 -12.679 7.917 393 HZ2 LYS 47 2HZ LYS 47 -10.577 -13.675 6.809 394 HZ3 LYS 47 3HZ LYS 47 -11.110 -13.596 8.412 395 H VAL 48 H VAL 48 -10.294 -5.610 7.907 396 HA VAL 48 HA VAL 48 -10.840 -4.389 10.529 397 HB VAL 48 HB VAL 48 -8.404 -4.123 8.761 398 HG11 VAL 48 1HG1 VAL 48 -9.118 -2.101 10.167 399 HG12 VAL 48 2HG1 VAL 48 -8.663 -3.082 11.562 400 HG13 VAL 48 3HG1 VAL 48 -7.461 -2.679 10.336 401 HG21 VAL 48 1HG2 VAL 48 -7.911 -6.096 9.713 402 HG22 VAL 48 2HG2 VAL 48 -7.555 -5.128 11.143 403 HG23 VAL 48 3HG2 VAL 48 -9.129 -5.906 10.975 404 HA PRO 49 HA PRO 49 -12.687 -0.938 8.494 405 HB2 PRO 49 1HB PRO 49 -12.504 0.853 10.526 406 HB3 PRO 49 2HB PRO 49 -13.671 -0.475 10.518 407 HG2 PRO 49 1HG PRO 49 -11.026 -0.285 11.909 408 HG3 PRO 49 2HG PRO 49 -12.567 -0.916 12.517 409 HD2 PRO 49 1HD PRO 49 -10.581 -2.528 11.630 410 HD3 PRO 49 2HD PRO 49 -12.298 -2.946 11.459 411 H VAL 50 H VAL 50 -11.786 0.342 7.018 412 HA VAL 50 HA VAL 50 -9.147 0.932 6.690 413 HB VAL 50 HB VAL 50 -11.545 2.567 5.873 414 HG11 VAL 50 1HG1 VAL 50 -9.935 4.201 5.740 415 HG12 VAL 50 2HG1 VAL 50 -8.636 3.048 5.429 416 HG13 VAL 50 3HG1 VAL 50 -9.781 3.454 4.150 417 HG21 VAL 50 1HG2 VAL 50 -11.523 1.402 3.904 418 HG22 VAL 50 2HG2 VAL 50 -9.795 1.062 3.993 419 HG23 VAL 50 3HG2 VAL 50 -10.925 0.156 4.999 420 H SER 51 H SER 51 -11.347 2.393 8.915 421 HA SER 51 HA SER 51 -9.936 4.815 9.360 422 HB2 SER 51 1HB SER 51 -11.370 5.122 11.251 423 HB3 SER 51 2HB SER 51 -12.340 4.343 10.001 424 HG SER 51 HG SER 51 -11.441 3.352 12.438 425 H GLU 52 H GLU 52 -9.846 1.630 10.889 426 HA GLU 52 HA GLU 52 -7.846 2.469 12.805 427 HB2 GLU 52 1HB GLU 52 -9.019 -0.252 12.206 428 HB3 GLU 52 2HB GLU 52 -7.892 0.086 13.513 429 HG2 GLU 52 1HG GLU 52 -10.420 1.648 13.338 430 HG3 GLU 52 2HG GLU 52 -10.464 -0.004 13.950 431 H LEU 53 H LEU 53 -7.877 1.379 9.612 432 HA LEU 53 HA LEU 53 -5.396 -0.059 9.644 433 HB2 LEU 53 1HB LEU 53 -7.252 0.945 7.535 434 HB3 LEU 53 2HB LEU 53 -5.625 0.441 7.083 435 HG LEU 53 HG LEU 53 -7.523 -1.360 8.570 436 HD11 LEU 53 1HD1 LEU 53 -8.760 -1.132 6.667 437 HD12 LEU 53 2HD1 LEU 53 -7.638 -2.389 6.146 438 HD13 LEU 53 3HD1 LEU 53 -7.364 -0.712 5.674 439 HD21 LEU 53 1HD2 LEU 53 -5.175 -2.031 6.810 440 HD22 LEU 53 2HD2 LEU 53 -6.062 -3.104 7.893 441 HD23 LEU 53 3HD2 LEU 53 -5.050 -1.821 8.557 442 H LEU 54 H LEU 54 -3.390 0.619 8.864 443 HA LEU 54 HA LEU 54 -3.049 3.463 8.275 444 HB2 LEU 54 1HB LEU 54 -1.792 1.962 10.539 445 HB3 LEU 54 2HB LEU 54 -0.959 3.327 9.798 446 HG LEU 54 HG LEU 54 -3.728 3.549 10.957 447 HD11 LEU 54 1HD1 LEU 54 -2.946 3.734 13.037 448 HD12 LEU 54 2HD1 LEU 54 -1.560 4.695 12.524 449 HD13 LEU 54 3HD1 LEU 54 -1.493 2.935 12.435 450 HD21 LEU 54 1HD2 LEU 54 -3.131 5.304 9.412 451 HD22 LEU 54 2HD2 LEU 54 -1.599 5.564 10.246 452 HD23 LEU 54 3HD2 LEU 54 -3.120 5.941 11.057 453 H LEU 55 H LEU 55 -2.166 3.409 6.312 454 HA LEU 55 HA LEU 55 -0.327 1.280 5.575 455 HB2 LEU 55 1HB LEU 55 -1.937 3.301 4.154 456 HB3 LEU 55 2HB LEU 55 -0.398 2.879 3.406 457 HG LEU 55 HG LEU 55 -2.384 1.616 2.551 458 HD11 LEU 55 1HD1 LEU 55 -1.216 -0.661 2.860 459 HD12 LEU 55 2HD1 LEU 55 0.010 0.259 3.732 460 HD13 LEU 55 3HD1 LEU 55 -0.342 0.636 2.045 461 HD21 LEU 55 1HD2 LEU 55 -3.180 1.397 5.083 462 HD22 LEU 55 2HD2 LEU 55 -2.295 -0.123 4.948 463 HD23 LEU 55 3HD2 LEU 55 -3.626 0.224 3.844 464 H SER 56 H SER 56 1.813 1.468 5.594 465 HA SER 56 HA SER 56 3.019 4.140 5.477 466 HB2 SER 56 1HB SER 56 4.717 3.021 7.214 467 HB3 SER 56 2HB SER 56 3.288 3.910 7.742 468 HG SER 56 HG SER 56 3.087 1.160 7.222 469 H TYR 57 H TYR 57 4.486 4.217 3.921 470 HA TYR 57 HA TYR 57 5.630 1.712 2.923 471 HB2 TYR 57 1HB TYR 57 5.838 2.707 0.857 472 HB3 TYR 57 2HB TYR 57 4.446 3.582 1.484 473 HD1 TYR 57 1HD TYR 57 4.969 5.822 2.715 474 HD2 TYR 57 2HD TYR 57 7.657 3.894 0.039 475 HE1 TYR 57 1HE TYR 57 6.149 7.953 2.374 476 HE2 TYR 57 2HE TYR 57 8.845 6.019 -0.308 477 HH TYR 57 HH TYR 57 7.722 9.021 1.207 478 H GLU 58 H GLU 58 7.836 1.400 2.689 479 HA GLU 58 HA GLU 58 9.507 3.208 4.296 480 HB2 GLU 58 1HB GLU 58 9.273 0.763 4.950 481 HB3 GLU 58 2HB GLU 58 10.179 0.380 3.493 482 HG2 GLU 58 1HG GLU 58 11.982 1.925 4.385 483 HG3 GLU 58 2HG GLU 58 11.106 1.886 5.915 484 H SER 59 H SER 59 10.793 4.526 3.207 485 HA SER 59 HA SER 59 11.230 4.333 0.421 486 HB2 SER 59 1HB SER 59 13.039 5.938 2.193 487 HB3 SER 59 2HB SER 59 12.386 6.343 0.606 488 HG SER 59 HG SER 59 11.176 7.529 1.951 489 H SER 60 H SER 60 12.594 3.082 -0.652 490 HA SER 60 HA SER 60 14.327 1.248 0.478 491 HB2 SER 60 1HB SER 60 15.272 0.964 -1.757 492 HB3 SER 60 2HB SER 60 13.521 1.152 -1.862 493 HG SER 60 HG SER 60 15.413 3.232 -2.259 494 H LYS 61 H LYS 61 14.898 4.583 -0.426 495 HA LYS 61 HA LYS 61 17.738 4.484 -0.162 496 HB2 LYS 61 1HB LYS 61 17.611 6.941 -0.233 497 HB3 LYS 61 2HB LYS 61 16.673 6.200 -1.522 498 HG2 LYS 61 1HG LYS 61 14.625 6.648 -0.396 499 HG3 LYS 61 2HG LYS 61 15.474 7.153 1.066 500 HD2 LYS 61 1HD LYS 61 16.574 8.881 -0.613 501 HD3 LYS 61 2HD LYS 61 15.077 8.597 -1.503 502 HE2 LYS 61 1HE LYS 61 14.629 10.440 -0.116 503 HE3 LYS 61 2HE LYS 61 13.870 9.065 0.685 504 HZ1 LYS 61 1HZ LYS 61 16.132 10.682 1.525 505 HZ2 LYS 61 2HZ LYS 61 16.270 9.022 1.818 506 HZ3 LYS 61 3HZ LYS 61 14.963 9.888 2.455 507 H MET 62 H MET 62 15.079 4.986 2.025 508 HA MET 62 HA MET 62 17.012 5.306 4.222 509 HB2 MET 62 1HB MET 62 15.641 7.389 3.617 510 HB3 MET 62 2HB MET 62 14.257 6.520 4.267 511 HG2 MET 62 1HG MET 62 15.143 7.981 5.948 512 HG3 MET 62 2HG MET 62 15.434 6.307 6.417 513 HE1 MET 62 1HE MET 62 18.357 9.640 5.736 514 HE2 MET 62 2HE MET 62 16.607 9.632 5.521 515 HE3 MET 62 3HE MET 62 17.299 9.462 7.135 516 HA PRO 63 HA PRO 63 14.496 1.515 4.963 517 HB2 PRO 63 1HB PRO 63 16.562 0.086 5.993 518 HB3 PRO 63 2HB PRO 63 16.239 0.195 4.258 519 HG2 PRO 63 1HG PRO 63 18.224 1.705 5.915 520 HG3 PRO 63 2HG PRO 63 18.430 0.973 4.313 521 HD2 PRO 63 1HD PRO 63 17.997 3.623 4.659 522 HD3 PRO 63 2HD PRO 63 17.410 2.737 3.237 523 H GLY 64 H GLY 64 13.465 1.075 6.834 524 HA2 GLY 64 1HA GLY 64 13.320 0.758 9.178 525 HA3 GLY 64 2HA GLY 64 14.750 1.760 9.376 526 H ARG 65 H ARG 65 13.462 3.722 7.425 527 HA ARG 65 HA ARG 65 11.780 5.044 9.441 528 HB2 ARG 65 1HB ARG 65 13.932 6.140 8.596 529 HB3 ARG 65 2HB ARG 65 13.082 6.378 7.075 530 HG2 ARG 65 1HG ARG 65 11.354 7.664 8.275 531 HG3 ARG 65 2HG ARG 65 12.289 7.481 9.761 532 HD2 ARG 65 1HD ARG 65 13.648 8.585 7.356 533 HD3 ARG 65 2HD ARG 65 12.522 9.622 8.232 534 HE ARG 65 HE ARG 65 15.145 8.938 9.028 535 HH11 ARG 65 2HH1 ARG 65 11.945 9.428 10.307 536 HH12 ARG 65 1HH1 ARG 65 12.504 9.907 11.876 537 HH21 ARG 65 2HH2 ARG 65 15.893 9.567 11.089 538 HH22 ARG 65 1HH2 ARG 65 14.750 9.986 12.319 539 H GLU 66 H GLU 66 9.861 3.950 8.842 540 HA GLU 66 HA GLU 66 8.873 4.252 6.130 541 HB2 GLU 66 1HB GLU 66 6.945 2.949 6.918 542 HB3 GLU 66 2HB GLU 66 8.465 2.149 7.292 543 HG2 GLU 66 1HG GLU 66 8.326 2.843 9.588 544 HG3 GLU 66 2HG GLU 66 6.886 3.802 9.248 545 H ILE 67 H ILE 67 7.267 5.597 5.471 546 HA ILE 67 HA ILE 67 6.541 7.744 7.307 547 HB ILE 67 HB ILE 67 6.172 7.459 4.325 548 HG12 ILE 67 1HG1 ILE 67 7.709 9.591 4.546 549 HG13 ILE 67 2HG1 ILE 67 8.116 8.879 6.103 550 HG21 ILE 67 1HG2 ILE 67 4.720 9.075 6.144 551 HG22 ILE 67 2HG2 ILE 67 5.784 10.129 5.214 552 HG23 ILE 67 3HG2 ILE 67 4.647 9.068 4.382 553 HD11 ILE 67 1HD1 ILE 67 8.638 7.831 3.357 554 HD12 ILE 67 2HD1 ILE 67 9.760 8.070 4.697 555 HD13 ILE 67 3HD1 ILE 67 8.597 6.745 4.746 556 H GLU 68 H GLU 68 4.572 8.004 8.161 557 HA GLU 68 HA GLU 68 2.585 5.961 7.746 558 HB2 GLU 68 1HB GLU 68 2.467 8.466 9.436 559 HB3 GLU 68 2HB GLU 68 1.328 7.129 9.497 560 HG2 GLU 68 1HG GLU 68 2.908 7.032 11.338 561 HG3 GLU 68 2HG GLU 68 3.085 5.641 10.270 562 H LEU 69 H LEU 69 1.086 6.017 6.221 563 HA LEU 69 HA LEU 69 0.549 8.471 4.778 564 HB2 LEU 69 1HB LEU 69 -0.705 5.764 4.379 565 HB3 LEU 69 2HB LEU 69 -0.680 7.109 3.241 566 HG LEU 69 HG LEU 69 1.823 5.696 4.132 567 HD11 LEU 69 1HD1 LEU 69 -0.275 4.686 2.462 568 HD12 LEU 69 2HD1 LEU 69 1.241 3.921 2.939 569 HD13 LEU 69 3HD1 LEU 69 1.183 4.947 1.505 570 HD21 LEU 69 1HD2 LEU 69 2.901 6.875 2.497 571 HD22 LEU 69 2HD2 LEU 69 1.670 8.051 2.959 572 HD23 LEU 69 3HD2 LEU 69 1.447 7.062 1.515 573 H GLU 70 H GLU 70 -0.414 9.508 6.703 574 HA GLU 70 HA GLU 70 -2.870 8.579 7.785 575 HB2 GLU 70 1HB GLU 70 -3.032 10.809 8.801 576 HB3 GLU 70 2HB GLU 70 -1.435 10.110 9.026 577 HG2 GLU 70 1HG GLU 70 -0.638 11.461 7.100 578 HG3 GLU 70 2HG GLU 70 -2.218 12.240 7.052 579 H ASN 71 H ASN 71 -2.096 11.120 5.418 580 HA ASN 71 HA ASN 71 -4.760 11.866 4.893 581 HB2 ASN 71 1HB ASN 71 -2.140 12.251 3.515 582 HB3 ASN 71 2HB ASN 71 -3.614 12.601 2.616 583 HD21 ASN 71 1HD2 ASN 71 -4.888 14.327 3.213 584 HD22 ASN 71 2HD2 ASN 71 -4.355 15.540 4.321 585 H ASP 72 H ASP 72 -6.238 10.423 4.262 586 HA ASP 72 HA ASP 72 -5.575 8.206 2.545 587 HB2 ASP 72 1HB ASP 72 -8.405 8.956 3.131 588 HB3 ASP 72 2HB ASP 72 -7.660 7.361 3.053 589 H LEU 73 H LEU 73 -7.283 11.275 2.247 590 HA LEU 73 HA LEU 73 -8.355 10.876 -0.319 591 HB2 LEU 73 1HB LEU 73 -7.512 13.419 1.062 592 HB3 LEU 73 2HB LEU 73 -8.457 13.353 -0.424 593 HG LEU 73 HG LEU 73 -10.209 12.092 0.886 594 HD11 LEU 73 1HD1 LEU 73 -10.065 12.625 3.392 595 HD12 LEU 73 2HD1 LEU 73 -8.338 12.836 3.107 596 HD13 LEU 73 3HD1 LEU 73 -9.103 11.283 2.770 597 HD21 LEU 73 1HD2 LEU 73 -10.290 14.530 2.342 598 HD22 LEU 73 2HD2 LEU 73 -11.194 14.078 0.897 599 HD23 LEU 73 3HD2 LEU 73 -9.620 14.862 0.745 600 H GLN 74 H GLN 74 -5.145 11.380 0.716 601 HA GLN 74 HA GLN 74 -4.234 12.436 -1.832 602 HB2 GLN 74 1HB GLN 74 -2.787 11.691 0.709 603 HB3 GLN 74 2HB GLN 74 -1.962 12.249 -0.740 604 HG2 GLN 74 1HG GLN 74 -4.144 13.873 0.501 605 HG3 GLN 74 2HG GLN 74 -2.497 13.937 1.124 606 HE21 GLN 74 1HE2 GLN 74 -2.892 16.237 0.460 607 HE22 GLN 74 2HE2 GLN 74 -2.451 16.676 -1.152 608 HA PRO 75 HA PRO 75 -3.478 8.483 -3.633 609 HB2 PRO 75 1HB PRO 75 -1.755 9.267 -5.579 610 HB3 PRO 75 2HB PRO 75 -3.494 9.578 -5.653 611 HG2 PRO 75 1HG PRO 75 -1.276 11.410 -4.825 612 HG3 PRO 75 2HG PRO 75 -2.686 11.750 -5.846 613 HD2 PRO 75 1HD PRO 75 -2.573 12.460 -3.236 614 HD3 PRO 75 2HD PRO 75 -4.091 12.009 -4.038 615 H LEU 76 H LEU 76 -1.455 7.240 -4.485 616 HA LEU 76 HA LEU 76 0.364 7.026 -2.275 617 HB2 LEU 76 1HB LEU 76 0.084 5.571 -4.888 618 HB3 LEU 76 2HB LEU 76 1.411 5.247 -3.774 619 HG LEU 76 HG LEU 76 -0.224 3.571 -3.416 620 HD11 LEU 76 1HD1 LEU 76 0.720 5.093 -1.419 621 HD12 LEU 76 2HD1 LEU 76 -0.312 3.686 -1.164 622 HD13 LEU 76 3HD1 LEU 76 -1.012 5.305 -1.163 623 HD21 LEU 76 1HD2 LEU 76 -2.563 4.102 -2.863 624 HD22 LEU 76 2HD2 LEU 76 -2.121 4.629 -4.487 625 HD23 LEU 76 3HD2 LEU 76 -2.235 5.806 -3.178 626 H GLN 77 H GLN 77 0.436 8.394 -5.481 627 HA GLN 77 HA GLN 77 3.244 8.624 -5.746 628 HB2 GLN 77 1HB GLN 77 2.216 8.916 -7.774 629 HB3 GLN 77 2HB GLN 77 0.868 9.810 -7.085 630 HG2 GLN 77 1HG GLN 77 2.129 11.296 -8.450 631 HG3 GLN 77 2HG GLN 77 2.389 11.745 -6.765 632 HE21 GLN 77 1HE2 GLN 77 4.396 12.278 -6.348 633 HE22 GLN 77 2HE2 GLN 77 5.809 11.610 -7.084 634 H PHE 78 H PHE 78 0.852 10.491 -4.062 635 HA PHE 78 HA PHE 78 2.284 12.908 -3.808 636 HB2 PHE 78 1HB PHE 78 0.046 13.138 -3.256 637 HB3 PHE 78 2HB PHE 78 0.010 11.636 -2.340 638 HD1 PHE 78 2HD PHE 78 0.846 15.194 -2.255 639 HD2 PHE 78 1HD PHE 78 0.695 11.568 -0.030 640 HE1 PHE 78 2HE PHE 78 1.113 16.468 -0.168 641 HE2 PHE 78 1HE PHE 78 0.962 12.837 2.061 642 HZ PHE 78 HZ PHE 78 1.172 15.290 1.994 643 H TYR 79 H TYR 79 2.504 9.859 -2.170 644 HA TYR 79 HA TYR 79 4.198 10.977 -0.069 645 HB2 TYR 79 1HB TYR 79 2.927 8.286 -0.507 646 HB3 TYR 79 2HB TYR 79 4.200 8.508 0.688 647 HD1 TYR 79 2HD TYR 79 3.826 10.169 2.557 648 HD2 TYR 79 1HD TYR 79 0.701 8.900 -0.036 649 HE1 TYR 79 2HE TYR 79 2.162 10.948 4.191 650 HE2 TYR 79 1HE TYR 79 -0.972 9.676 1.591 651 HH TYR 79 HH TYR 79 -0.891 10.039 4.284 652 H SER 80 H SER 80 4.896 10.628 -3.020 653 HA SER 80 HA SER 80 6.700 10.057 -4.285 654 HB2 SER 80 1HB SER 80 7.740 11.341 -2.286 655 HB3 SER 80 2HB SER 80 8.291 9.755 -1.749 656 HG SER 80 HG SER 80 9.219 9.565 -3.924 657 H VAL 81 H VAL 81 4.984 7.937 -3.571 658 HA VAL 81 HA VAL 81 6.719 5.674 -2.956 659 HB VAL 81 HB VAL 81 3.733 5.858 -3.358 660 HG11 VAL 81 1HG1 VAL 81 4.095 3.715 -4.091 661 HG12 VAL 81 2HG1 VAL 81 5.542 3.503 -3.104 662 HG13 VAL 81 3HG1 VAL 81 3.946 3.442 -2.356 663 HG21 VAL 81 1HG2 VAL 81 5.015 4.922 -0.848 664 HG22 VAL 81 2HG2 VAL 81 5.068 6.648 -1.207 665 HG23 VAL 81 3HG2 VAL 81 3.516 5.819 -1.086 666 H GLU 82 H GLU 82 7.720 4.612 -4.523 667 HA GLU 82 HA GLU 82 6.435 4.465 -7.170 668 HB2 GLU 82 1HB GLU 82 9.271 5.083 -6.437 669 HB3 GLU 82 2HB GLU 82 8.932 4.262 -7.954 670 HG2 GLU 82 1HG GLU 82 7.506 6.096 -8.654 671 HG3 GLU 82 2HG GLU 82 7.780 6.914 -7.117 672 H ASN 83 H ASN 83 7.225 2.607 -8.492 673 HA ASN 83 HA ASN 83 6.767 0.187 -7.243 674 HB2 ASN 83 1HB ASN 83 7.913 -0.818 -9.291 675 HB3 ASN 83 2HB ASN 83 6.554 0.259 -9.600 676 HD21 ASN 83 1HD2 ASN 83 7.118 0.962 -11.585 677 HD22 ASN 83 2HD2 ASN 83 8.541 1.883 -11.920 678 H GLY 84 H GLY 84 7.971 -1.294 -6.184 679 HA2 GLY 84 1HA GLY 84 10.146 -2.384 -5.886 680 HA3 GLY 84 2HA GLY 84 10.876 -0.789 -5.996 681 H ASP 85 H ASP 85 8.965 0.543 -4.321 682 HA ASP 85 HA ASP 85 10.166 0.266 -1.833 683 HB2 ASP 85 1HB ASP 85 7.383 1.307 -2.404 684 HB3 ASP 85 2HB ASP 85 8.336 1.634 -0.959 685 H CYS 86 H CYS 86 8.478 -0.029 0.176 686 HA CYS 86 HA CYS 86 7.221 -2.667 -0.176 687 HB2 CYS 86 1HB CYS 86 9.126 -1.765 1.975 688 HB3 CYS 86 2HB CYS 86 8.012 -3.101 2.236 689 HG CYS 86 HG CYS 86 9.416 -4.911 1.071 690 H LEU 87 H LEU 87 5.159 -2.682 0.407 691 HA LEU 87 HA LEU 87 4.053 -0.429 1.856 692 HB2 LEU 87 1HB LEU 87 2.777 -2.845 0.588 693 HB3 LEU 87 2HB LEU 87 1.878 -1.565 1.401 694 HG LEU 87 HG LEU 87 3.611 -1.136 -1.030 695 HD11 LEU 87 1HD1 LEU 87 1.257 -0.809 -2.071 696 HD12 LEU 87 2HD1 LEU 87 0.720 -1.832 -0.740 697 HD13 LEU 87 3HD1 LEU 87 1.911 -2.437 -1.892 698 HD21 LEU 87 1HD2 LEU 87 2.564 1.014 -1.150 699 HD22 LEU 87 2HD2 LEU 87 3.229 0.814 0.471 700 HD23 LEU 87 3HD2 LEU 87 1.497 0.625 0.199 701 H LEU 88 H LEU 88 3.679 -0.401 3.968 702 HA LEU 88 HA LEU 88 3.651 -2.965 5.417 703 HB2 LEU 88 1HB LEU 88 4.330 -0.245 6.519 704 HB3 LEU 88 2HB LEU 88 4.485 -1.794 7.345 705 HG LEU 88 HG LEU 88 6.045 -1.322 4.845 706 HD11 LEU 88 1HD1 LEU 88 7.637 -0.652 7.104 707 HD12 LEU 88 2HD1 LEU 88 6.210 0.384 7.096 708 HD13 LEU 88 3HD1 LEU 88 7.264 0.325 5.683 709 HD21 LEU 88 1HD2 LEU 88 5.852 -3.502 6.251 710 HD22 LEU 88 2HD2 LEU 88 6.971 -2.682 7.340 711 HD23 LEU 88 3HD2 LEU 88 7.430 -2.978 5.662 712 H VAL 89 H VAL 89 1.621 -3.534 5.850 713 HA VAL 89 HA VAL 89 -0.407 -1.505 6.355 714 HB VAL 89 HB VAL 89 -0.612 -4.508 6.106 715 HG11 VAL 89 1HG1 VAL 89 -2.430 -2.623 7.279 716 HG12 VAL 89 2HG1 VAL 89 -3.141 -3.327 5.826 717 HG13 VAL 89 3HG1 VAL 89 -2.579 -4.373 7.130 718 HG21 VAL 89 1HG2 VAL 89 -0.130 -3.005 4.070 719 HG22 VAL 89 2HG2 VAL 89 -1.450 -4.170 3.958 720 HG23 VAL 89 3HG2 VAL 89 -1.800 -2.468 4.258 721 H ARG 90 H ARG 90 -0.471 -0.721 8.362 722 HA ARG 90 HA ARG 90 -0.410 -2.639 10.595 723 HB2 ARG 90 1HB ARG 90 1.689 -1.364 10.534 724 HB3 ARG 90 2HB ARG 90 0.779 0.140 10.571 725 HG2 ARG 90 1HG ARG 90 -0.135 -0.543 12.782 726 HG3 ARG 90 2HG ARG 90 0.951 -1.934 12.743 727 HD2 ARG 90 1HD ARG 90 1.954 -0.165 14.042 728 HD3 ARG 90 2HD ARG 90 2.866 -0.389 12.549 729 HE ARG 90 HE ARG 90 1.058 1.588 11.985 730 HH11 ARG 90 2HH1 ARG 90 3.566 1.111 14.351 731 HH12 ARG 90 1HH1 ARG 90 3.927 2.799 14.500 732 HH21 ARG 90 2HH2 ARG 90 1.524 3.813 12.172 733 HH22 ARG 90 1HH2 ARG 90 2.764 4.335 13.261 734 H TRP 91 H TRP 91 -1.623 -2.005 12.477 735 HA TRP 91 HA TRP 91 -3.453 0.229 12.236 736 HB2 TRP 91 1HB TRP 91 -5.475 -1.112 12.446 737 HB3 TRP 91 2HB TRP 91 -4.593 -1.579 10.994 738 HD1 TRP 91 HD TRP 91 -5.571 -2.888 14.454 739 HE1 TRP 91 1HE TRP 91 -5.195 -5.434 14.506 740 HE3 TRP 91 3HE TRP 91 -3.212 -3.452 9.953 741 HZ2 TRP 91 2HZ TRP 91 -4.049 -7.418 12.857 742 HZ3 TRP 91 3HZ TRP 91 -2.508 -5.707 9.265 743 HH2 TRP 91 HH TRP 91 -2.918 -7.648 10.689 744 H SER 92 H SER 92 -4.169 0.967 14.188 745 HA SER 92 HA SER 92 -2.868 -0.118 16.526 746 HB2 SER 92 1HB SER 92 -2.951 2.302 16.241 747 HB3 SER 92 2HB SER 92 -4.714 2.260 16.195 748 HG SER 92 HG SER 92 -3.209 1.323 18.403 749 H GLY 93 H GLY 93 -6.255 0.701 15.737 750 HA2 GLY 93 1HA GLY 93 -8.218 -0.052 16.699 751 HA3 GLY 93 2HA GLY 93 -7.506 -1.621 16.356 752 HA PRO 94 HA PRO 94 -6.309 -0.674 20.936 753 HB2 PRO 94 1HB PRO 94 -7.327 1.588 22.040 754 HB3 PRO 94 2HB PRO 94 -5.771 1.544 21.202 755 HG2 PRO 94 1HG PRO 94 -8.441 2.448 20.193 756 HG3 PRO 94 2HG PRO 94 -6.849 3.195 19.969 757 HD2 PRO 94 1HD PRO 94 -8.030 1.683 18.058 758 HD3 PRO 94 2HD PRO 94 -6.268 1.749 18.271 759 H SER 95 H SER 95 -7.459 -1.046 22.934 760 HA SER 95 HA SER 95 -9.807 -2.457 22.698 761 HB2 SER 95 1HB SER 95 -8.134 -2.233 24.696 762 HB3 SER 95 2HB SER 95 -9.232 -0.965 25.238 763 HG SER 95 HG SER 95 -10.375 -2.538 26.015 764 H SER 96 H SER 96 -9.411 0.948 23.610 765 HA SER 96 HA SER 96 -12.270 1.344 23.019 766 HB2 SER 96 1HB SER 96 -12.491 2.881 24.829 767 HB3 SER 96 2HB SER 96 -11.679 1.461 25.489 768 HG SER 96 HG SER 96 -10.639 3.366 26.151 769 H GLY 97 H GLY 97 -12.664 3.860 22.811 770 HA2 GLY 97 1HA GLY 97 -11.604 5.947 22.070 771 HA3 GLY 97 2HA GLY 97 -10.495 4.958 21.130 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -13.663 11.512 -11.523 2 HA2 GLY 1 1HA GLY 1 -11.209 11.152 -9.917 3 HA3 GLY 1 2HA GLY 1 -11.552 10.260 -11.392 4 H SER 2 H SER 2 -12.350 12.185 -13.127 5 HA SER 2 HA SER 2 -11.428 13.580 -14.681 6 HB2 SER 2 1HB SER 2 -10.581 15.080 -12.190 7 HB3 SER 2 2HB SER 2 -10.702 15.758 -13.814 8 HG SER 2 HG SER 2 -12.573 15.794 -12.091 9 H SER 3 H SER 3 -9.808 11.393 -14.163 10 HA SER 3 HA SER 3 -7.114 12.144 -13.619 11 HB2 SER 3 1HB SER 3 -6.545 9.902 -14.101 12 HB3 SER 3 2HB SER 3 -8.168 9.810 -13.416 13 HG SER 3 HG SER 3 -8.987 9.639 -15.521 14 H GLY 4 H GLY 4 -5.565 12.887 -14.941 15 HA2 GLY 4 1HA GLY 4 -6.263 13.184 -17.792 16 HA3 GLY 4 2HA GLY 4 -5.190 14.256 -16.904 17 H SER 5 H SER 5 -3.321 12.850 -15.798 18 HA SER 5 HA SER 5 -1.873 11.733 -18.028 19 HB2 SER 5 1HB SER 5 -1.180 12.393 -15.178 20 HB3 SER 5 2HB SER 5 -0.083 11.430 -16.167 21 HG SER 5 HG SER 5 -0.693 14.117 -16.301 22 H SER 6 H SER 6 -1.619 9.649 -18.501 23 HA SER 6 HA SER 6 -3.125 7.614 -17.451 24 HB2 SER 6 1HB SER 6 -1.643 6.063 -18.593 25 HB3 SER 6 2HB SER 6 -1.856 7.501 -19.590 26 HG SER 6 HG SER 6 0.346 7.007 -17.866 27 H GLY 7 H GLY 7 -2.943 6.128 -15.837 28 HA2 GLY 7 1HA GLY 7 -0.909 6.695 -13.807 29 HA3 GLY 7 2HA GLY 7 -2.387 5.775 -13.564 30 H GLN 8 H GLN 8 0.752 5.397 -13.381 31 HA GLN 8 HA GLN 8 0.902 2.841 -14.804 32 HB2 GLN 8 1HB GLN 8 3.282 2.944 -14.473 33 HB3 GLN 8 2HB GLN 8 2.739 4.501 -15.085 34 HG2 GLN 8 1HG GLN 8 2.975 5.525 -12.976 35 HG3 GLN 8 2HG GLN 8 3.152 3.973 -12.160 36 HE21 GLN 8 1HE2 GLN 8 4.681 6.069 -14.557 37 HE22 GLN 8 2HE2 GLN 8 6.304 5.604 -14.190 38 H LEU 9 H LEU 9 1.265 0.904 -13.777 39 HA LEU 9 HA LEU 9 0.345 0.706 -11.078 40 HB2 LEU 9 1HB LEU 9 1.172 -1.174 -13.213 41 HB3 LEU 9 2HB LEU 9 1.249 -1.759 -11.552 42 HG LEU 9 HG LEU 9 -0.836 -2.437 -12.526 43 HD11 LEU 9 1HD1 LEU 9 -1.964 -0.271 -10.941 44 HD12 LEU 9 2HD1 LEU 9 -0.596 -1.063 -10.160 45 HD13 LEU 9 3HD1 LEU 9 -1.992 -2.013 -10.667 46 HD21 LEU 9 1HD2 LEU 9 -1.982 0.228 -12.866 47 HD22 LEU 9 2HD2 LEU 9 -2.087 -1.195 -13.903 48 HD23 LEU 9 3HD2 LEU 9 -0.680 -0.135 -14.000 49 H LEU 10 H LEU 10 1.468 0.125 -9.239 50 HA LEU 10 HA LEU 10 4.403 0.287 -9.439 51 HB2 LEU 10 1HB LEU 10 3.021 0.905 -6.886 52 HB3 LEU 10 2HB LEU 10 4.515 1.564 -7.550 53 HG LEU 10 HG LEU 10 1.702 2.311 -8.347 54 HD11 LEU 10 1HD1 LEU 10 1.976 4.259 -7.175 55 HD12 LEU 10 2HD1 LEU 10 3.736 4.199 -7.265 56 HD13 LEU 10 3HD1 LEU 10 2.873 3.139 -6.150 57 HD21 LEU 10 1HD2 LEU 10 4.360 2.895 -9.565 58 HD22 LEU 10 2HD2 LEU 10 3.112 4.141 -9.587 59 HD23 LEU 10 3HD2 LEU 10 2.809 2.574 -10.341 60 H THR 11 H THR 11 5.451 -1.503 -8.909 61 HA THR 11 HA THR 11 4.063 -3.711 -7.676 62 HB THR 11 HB THR 11 6.989 -3.543 -8.413 63 HG1 THR 11 1HG THR 11 5.034 -4.782 -10.022 64 HG21 THR 11 1HG2 THR 11 5.144 -5.727 -7.568 65 HG22 THR 11 2HG2 THR 11 6.838 -5.459 -7.156 66 HG23 THR 11 3HG2 THR 11 6.407 -6.098 -8.742 67 H LEU 12 H LEU 12 3.697 -3.459 -5.540 68 HA LEU 12 HA LEU 12 6.030 -2.888 -3.834 69 HB2 LEU 12 1HB LEU 12 3.158 -2.258 -3.186 70 HB3 LEU 12 2HB LEU 12 4.581 -1.825 -2.240 71 HG LEU 12 HG LEU 12 4.086 -0.765 -5.014 72 HD11 LEU 12 1HD1 LEU 12 3.504 1.344 -3.538 73 HD12 LEU 12 2HD1 LEU 12 2.986 0.106 -2.395 74 HD13 LEU 12 3HD1 LEU 12 2.270 0.174 -4.006 75 HD21 LEU 12 1HD2 LEU 12 5.557 1.086 -3.911 76 HD22 LEU 12 2HD2 LEU 12 6.306 -0.384 -4.533 77 HD23 LEU 12 3HD2 LEU 12 6.013 -0.208 -2.803 78 H LYS 13 H LYS 13 6.063 -3.941 -1.762 79 HA LYS 13 HA LYS 13 4.709 -6.546 -1.837 80 HB2 LYS 13 1HB LYS 13 7.314 -5.586 -0.765 81 HB3 LYS 13 2HB LYS 13 6.518 -6.896 0.097 82 HG2 LYS 13 1HG LYS 13 6.369 -8.088 -2.132 83 HG3 LYS 13 2HG LYS 13 7.476 -6.857 -2.748 84 HD2 LYS 13 1HD LYS 13 8.179 -8.316 -0.242 85 HD3 LYS 13 2HD LYS 13 8.383 -9.132 -1.794 86 HE2 LYS 13 1HE LYS 13 10.457 -8.101 -1.292 87 HE3 LYS 13 2HE LYS 13 9.701 -7.124 -2.550 88 HZ1 LYS 13 1HZ LYS 13 9.653 -5.365 -1.217 89 HZ2 LYS 13 2HZ LYS 13 10.670 -6.215 -0.166 90 HZ3 LYS 13 3HZ LYS 13 8.996 -6.240 0.074 91 H ILE 14 H ILE 14 3.098 -6.932 -0.476 92 HA ILE 14 HA ILE 14 2.497 -5.029 1.626 93 HB ILE 14 HB ILE 14 1.009 -7.474 0.669 94 HG12 ILE 14 1HG1 ILE 14 -0.642 -5.566 0.027 95 HG13 ILE 14 2HG1 ILE 14 0.766 -4.520 0.175 96 HG21 ILE 14 1HG2 ILE 14 0.208 -5.425 2.731 97 HG22 ILE 14 2HG2 ILE 14 -0.848 -6.673 2.071 98 HG23 ILE 14 3HG2 ILE 14 0.564 -7.127 3.025 99 HD11 ILE 14 1HD1 ILE 14 0.092 -5.554 -2.126 100 HD12 ILE 14 2HD1 ILE 14 1.789 -5.415 -1.664 101 HD13 ILE 14 3HD1 ILE 14 0.957 -6.962 -1.511 102 H LYS 15 H LYS 15 3.323 -5.239 3.589 103 HA LYS 15 HA LYS 15 3.697 -7.950 4.678 104 HB2 LYS 15 1HB LYS 15 5.865 -6.906 4.084 105 HB3 LYS 15 2HB LYS 15 5.494 -5.566 5.160 106 HG2 LYS 15 1HG LYS 15 5.571 -6.988 7.075 107 HG3 LYS 15 2HG LYS 15 5.702 -8.428 6.063 108 HD2 LYS 15 1HD LYS 15 7.867 -7.587 5.212 109 HD3 LYS 15 2HD LYS 15 7.739 -6.215 6.315 110 HE2 LYS 15 1HE LYS 15 9.017 -7.616 7.587 111 HE3 LYS 15 2HE LYS 15 7.411 -8.130 8.102 112 HZ1 LYS 15 1HZ LYS 15 9.116 -9.905 7.436 113 HZ2 LYS 15 2HZ LYS 15 8.760 -9.463 5.843 114 HZ3 LYS 15 3HZ LYS 15 7.536 -10.055 6.850 115 H CYS 16 H CYS 16 2.654 -8.316 6.522 116 HA CYS 16 HA CYS 16 1.357 -6.085 7.871 117 HB2 CYS 16 1HB CYS 16 1.047 -9.076 8.013 118 HB3 CYS 16 2HB CYS 16 0.306 -8.021 9.211 119 HG CYS 16 HG CYS 16 -0.467 -8.386 5.927 120 H SER 17 H SER 17 2.411 -5.088 9.446 121 HA SER 17 HA SER 17 4.687 -6.135 10.748 122 HB2 SER 17 1HB SER 17 3.943 -3.665 10.436 123 HB3 SER 17 2HB SER 17 3.014 -3.923 11.913 124 HG SER 17 HG SER 17 5.754 -3.738 11.544 125 H ASN 18 H ASN 18 1.293 -5.882 11.703 126 HA ASN 18 HA ASN 18 1.679 -6.868 14.344 127 HB2 ASN 18 1HB ASN 18 -0.342 -5.565 13.230 128 HB3 ASN 18 2HB ASN 18 -0.938 -7.197 12.943 129 HD21 ASN 18 1HD2 ASN 18 -2.528 -7.425 14.367 130 HD22 ASN 18 2HD2 ASN 18 -2.381 -7.192 16.073 131 H GLN 19 H GLN 19 1.893 -8.372 11.378 132 HA GLN 19 HA GLN 19 1.473 -11.006 12.620 133 HB2 GLN 19 1HB GLN 19 0.924 -10.531 9.705 134 HB3 GLN 19 2HB GLN 19 0.396 -11.865 10.722 135 HG2 GLN 19 1HG GLN 19 -0.993 -10.162 11.984 136 HG3 GLN 19 2HG GLN 19 -0.643 -9.053 10.660 137 HE21 GLN 19 1HE2 GLN 19 -2.009 -12.220 11.399 138 HE22 GLN 19 2HE2 GLN 19 -3.132 -12.242 10.086 139 HA PRO 20 HA PRO 20 5.788 -10.906 11.158 140 HB2 PRO 20 1HB PRO 20 6.659 -12.722 12.978 141 HB3 PRO 20 2HB PRO 20 6.475 -11.004 13.348 142 HG2 PRO 20 1HG PRO 20 4.632 -13.282 13.961 143 HG3 PRO 20 2HG PRO 20 5.111 -11.922 14.993 144 HD2 PRO 20 1HD PRO 20 2.745 -11.991 13.680 145 HD3 PRO 20 2HD PRO 20 3.616 -10.477 13.999 146 H GLU 21 H GLU 21 3.588 -13.577 11.725 147 HA GLU 21 HA GLU 21 5.191 -15.461 10.229 148 HB2 GLU 21 1HB GLU 21 2.480 -15.594 11.528 149 HB3 GLU 21 2HB GLU 21 3.071 -16.891 10.500 150 HG2 GLU 21 1HG GLU 21 4.555 -15.879 12.909 151 HG3 GLU 21 2HG GLU 21 3.412 -17.220 12.957 152 H ARG 22 H ARG 22 2.414 -13.397 9.691 153 HA ARG 22 HA ARG 22 1.309 -14.442 7.409 154 HB2 ARG 22 1HB ARG 22 0.566 -12.386 8.675 155 HB3 ARG 22 2HB ARG 22 1.814 -11.494 7.815 156 HG2 ARG 22 1HG ARG 22 0.053 -11.050 6.460 157 HG3 ARG 22 2HG ARG 22 0.603 -12.551 5.712 158 HD2 ARG 22 1HD ARG 22 -1.361 -12.716 7.940 159 HD3 ARG 22 2HD ARG 22 -1.931 -12.166 6.364 160 HE ARG 22 HE ARG 22 -1.310 -14.827 7.096 161 HH11 ARG 22 2HH1 ARG 22 -1.055 -12.584 4.446 162 HH12 ARG 22 1HH1 ARG 22 -1.075 -13.817 3.230 163 HH21 ARG 22 2HH2 ARG 22 -1.338 -16.460 5.504 164 HH22 ARG 22 1HH2 ARG 22 -1.237 -16.021 3.832 165 H GLN 23 H GLN 23 2.248 -15.103 5.599 166 HA GLN 23 HA GLN 23 4.832 -14.469 4.773 167 HB2 GLN 23 1HB GLN 23 4.149 -15.437 2.576 168 HB3 GLN 23 2HB GLN 23 3.761 -16.456 3.956 169 HG2 GLN 23 1HG GLN 23 1.437 -15.482 3.867 170 HG3 GLN 23 2HG GLN 23 1.891 -14.773 2.318 171 HE21 GLN 23 1HE2 GLN 23 0.441 -17.349 3.747 172 HE22 GLN 23 2HE2 GLN 23 0.589 -18.509 2.476 173 H ILE 24 H ILE 24 5.456 -13.390 2.722 174 HA ILE 24 HA ILE 24 4.309 -10.739 2.647 175 HB ILE 24 HB ILE 24 6.542 -11.857 0.951 176 HG12 ILE 24 1HG1 ILE 24 6.911 -11.998 3.451 177 HG13 ILE 24 2HG1 ILE 24 8.094 -11.039 2.568 178 HG21 ILE 24 1HG2 ILE 24 6.682 -9.049 1.567 179 HG22 ILE 24 2HG2 ILE 24 6.664 -9.854 -0.001 180 HG23 ILE 24 3HG2 ILE 24 5.146 -9.443 0.796 181 HD11 ILE 24 1HD1 ILE 24 7.022 -10.196 4.816 182 HD12 ILE 24 2HD1 ILE 24 7.408 -9.084 3.503 183 HD13 ILE 24 3HD1 ILE 24 5.750 -9.641 3.728 184 H LEU 25 H LEU 25 3.237 -9.785 0.958 185 HA LEU 25 HA LEU 25 2.440 -11.565 -1.251 186 HB2 LEU 25 1HB LEU 25 0.695 -9.305 -0.442 187 HB3 LEU 25 2HB LEU 25 0.268 -10.871 -1.129 188 HG LEU 25 HG LEU 25 1.282 -10.694 1.681 189 HD11 LEU 25 1HD1 LEU 25 -0.675 -9.060 1.156 190 HD12 LEU 25 2HD1 LEU 25 -0.761 -10.110 2.569 191 HD13 LEU 25 3HD1 LEU 25 -1.642 -10.534 1.102 192 HD21 LEU 25 1HD2 LEU 25 -0.891 -12.509 1.067 193 HD22 LEU 25 2HD2 LEU 25 0.695 -12.840 1.766 194 HD23 LEU 25 3HD2 LEU 25 0.501 -12.764 0.014 195 H GLU 26 H GLU 26 2.002 -10.549 -3.292 196 HA GLU 26 HA GLU 26 3.277 -7.913 -3.608 197 HB2 GLU 26 1HB GLU 26 4.637 -9.948 -4.399 198 HB3 GLU 26 2HB GLU 26 3.451 -10.080 -5.689 199 HG2 GLU 26 1HG GLU 26 4.753 -7.450 -5.248 200 HG3 GLU 26 2HG GLU 26 5.697 -8.739 -5.993 201 H LYS 27 H LYS 27 1.950 -6.456 -4.439 202 HA LYS 27 HA LYS 27 -0.057 -7.293 -6.405 203 HB2 LYS 27 1HB LYS 27 -1.197 -7.185 -4.234 204 HB3 LYS 27 2HB LYS 27 -0.625 -5.537 -4.009 205 HG2 LYS 27 1HG LYS 27 -2.702 -5.082 -4.782 206 HG3 LYS 27 2HG LYS 27 -1.864 -5.198 -6.332 207 HD2 LYS 27 1HD LYS 27 -3.618 -6.587 -6.767 208 HD3 LYS 27 2HD LYS 27 -2.509 -7.759 -6.052 209 HE2 LYS 27 1HE LYS 27 -4.326 -6.273 -4.233 210 HE3 LYS 27 2HE LYS 27 -5.030 -7.526 -5.254 211 HZ1 LYS 27 1HZ LYS 27 -4.258 -9.054 -3.874 212 HZ2 LYS 27 2HZ LYS 27 -3.631 -7.848 -2.867 213 HZ3 LYS 27 3HZ LYS 27 -2.670 -8.511 -4.091 214 H GLN 28 H GLN 28 -0.667 -5.696 -7.891 215 HA GLN 28 HA GLN 28 1.046 -3.298 -7.882 216 HB2 GLN 28 1HB GLN 28 0.344 -5.227 -10.026 217 HB3 GLN 28 2HB GLN 28 0.441 -3.532 -10.485 218 HG2 GLN 28 1HG GLN 28 2.729 -3.691 -9.162 219 HG3 GLN 28 2HG GLN 28 2.574 -5.390 -9.605 220 HE21 GLN 28 1HE2 GLN 28 4.107 -2.767 -10.492 221 HE22 GLN 28 2HE2 GLN 28 4.140 -2.947 -12.210 222 H LEU 29 H LEU 29 -0.008 -1.446 -7.680 223 HA LEU 29 HA LEU 29 -2.733 -1.237 -8.764 224 HB2 LEU 29 1HB LEU 29 -1.909 0.082 -6.197 225 HB3 LEU 29 2HB LEU 29 -3.533 -0.122 -6.851 226 HG LEU 29 HG LEU 29 -3.227 -1.569 -4.945 227 HD11 LEU 29 1HD1 LEU 29 -4.669 -2.699 -6.270 228 HD12 LEU 29 2HD1 LEU 29 -3.334 -3.847 -6.339 229 HD13 LEU 29 3HD1 LEU 29 -3.576 -2.698 -7.654 230 HD21 LEU 29 1HD2 LEU 29 -1.400 -2.802 -4.523 231 HD22 LEU 29 2HD2 LEU 29 -0.621 -1.737 -5.694 232 HD23 LEU 29 3HD2 LEU 29 -1.230 -3.313 -6.202 233 HA PRO 30 HA PRO 30 -1.377 2.485 -10.660 234 HB2 PRO 30 1HB PRO 30 -3.698 3.893 -10.728 235 HB3 PRO 30 2HB PRO 30 -3.387 2.501 -11.773 236 HG2 PRO 30 1HG PRO 30 -4.948 2.645 -9.222 237 HG3 PRO 30 2HG PRO 30 -5.342 1.797 -10.728 238 HD2 PRO 30 1HD PRO 30 -4.310 0.528 -8.570 239 HD3 PRO 30 2HD PRO 30 -3.965 0.016 -10.234 240 H ASP 31 H ASP 31 -0.121 3.939 -9.686 241 HA ASP 31 HA ASP 31 -0.206 4.827 -7.108 242 HB2 ASP 31 1HB ASP 31 1.316 6.526 -7.718 243 HB3 ASP 31 2HB ASP 31 1.593 5.231 -8.880 244 H SER 32 H SER 32 -2.303 5.718 -9.672 245 HA SER 32 HA SER 32 -3.132 8.257 -8.746 246 HB2 SER 32 1HB SER 32 -4.145 6.250 -10.687 247 HB3 SER 32 2HB SER 32 -5.316 7.417 -10.075 248 HG SER 32 HG SER 32 -3.055 7.818 -11.661 249 H MET 33 H MET 33 -4.332 4.980 -8.156 250 HA MET 33 HA MET 33 -6.667 5.451 -6.822 251 HB2 MET 33 1HB MET 33 -5.331 3.234 -7.299 252 HB3 MET 33 2HB MET 33 -4.758 3.467 -5.653 253 HG2 MET 33 1HG MET 33 -6.791 3.041 -4.731 254 HG3 MET 33 2HG MET 33 -7.676 3.641 -6.132 255 HE1 MET 33 1HE MET 33 -6.164 1.086 -4.200 256 HE2 MET 33 2HE MET 33 -6.941 -0.389 -4.775 257 HE3 MET 33 3HE MET 33 -5.343 0.057 -5.374 258 H THR 34 H THR 34 -7.280 6.359 -4.958 259 HA THR 34 HA THR 34 -5.371 7.795 -3.386 260 HB THR 34 HB THR 34 -7.394 8.303 -1.930 261 HG1 THR 34 1HG THR 34 -9.411 7.717 -2.837 262 HG21 THR 34 1HG2 THR 34 -6.891 9.995 -3.430 263 HG22 THR 34 2HG2 THR 34 -8.541 9.580 -3.896 264 HG23 THR 34 3HG2 THR 34 -7.179 8.974 -4.838 265 H VAL 35 H VAL 35 -4.652 7.408 -1.329 266 HA VAL 35 HA VAL 35 -4.100 4.909 -0.439 267 HB VAL 35 HB VAL 35 -4.661 7.327 1.283 268 HG11 VAL 35 1HG1 VAL 35 -4.761 5.191 2.540 269 HG12 VAL 35 2HG1 VAL 35 -3.116 4.840 2.007 270 HG13 VAL 35 3HG1 VAL 35 -3.431 6.236 3.039 271 HG21 VAL 35 1HG2 VAL 35 -2.854 7.424 -0.513 272 HG22 VAL 35 2HG2 VAL 35 -2.368 7.822 1.135 273 HG23 VAL 35 3HG2 VAL 35 -1.983 6.239 0.460 274 H GLN 36 H GLN 36 -7.085 6.686 0.060 275 HA GLN 36 HA GLN 36 -8.250 5.110 2.042 276 HB2 GLN 36 1HB GLN 36 -9.081 7.318 1.055 277 HB3 GLN 36 2HB GLN 36 -9.795 6.349 -0.228 278 HG2 GLN 36 1HG GLN 36 -10.953 5.051 1.639 279 HG3 GLN 36 2HG GLN 36 -10.477 6.384 2.689 280 HE21 GLN 36 1HE2 GLN 36 -11.929 5.916 -0.519 281 HE22 GLN 36 2HE2 GLN 36 -13.164 7.108 -0.321 282 H LYS 37 H LYS 37 -8.310 4.748 -1.483 283 HA LYS 37 HA LYS 37 -10.034 2.520 -1.559 284 HB2 LYS 37 1HB LYS 37 -8.113 3.797 -3.437 285 HB3 LYS 37 2HB LYS 37 -8.611 2.148 -3.794 286 HG2 LYS 37 1HG LYS 37 -11.015 3.170 -3.377 287 HG3 LYS 37 2HG LYS 37 -10.186 4.661 -3.831 288 HD2 LYS 37 1HD LYS 37 -9.760 3.929 -5.972 289 HD3 LYS 37 2HD LYS 37 -9.818 2.226 -5.515 290 HE2 LYS 37 1HE LYS 37 -12.164 4.107 -5.748 291 HE3 LYS 37 2HE LYS 37 -11.752 2.802 -6.860 292 HZ1 LYS 37 1HZ LYS 37 -11.897 1.447 -4.595 293 HZ2 LYS 37 2HZ LYS 37 -13.238 1.701 -5.593 294 HZ3 LYS 37 3HZ LYS 37 -12.999 2.678 -4.233 295 H VAL 38 H VAL 38 -6.484 2.734 -1.586 296 HA VAL 38 HA VAL 38 -5.939 0.001 -1.757 297 HB VAL 38 HB VAL 38 -4.336 2.166 -0.390 298 HG11 VAL 38 1HG1 VAL 38 -2.472 0.712 -0.388 299 HG12 VAL 38 2HG1 VAL 38 -3.811 -0.211 0.298 300 HG13 VAL 38 3HG1 VAL 38 -3.313 -0.486 -1.372 301 HG21 VAL 38 1HG2 VAL 38 -3.841 0.956 -3.094 302 HG22 VAL 38 2HG2 VAL 38 -4.883 2.362 -2.876 303 HG23 VAL 38 3HG2 VAL 38 -3.183 2.446 -2.417 304 H LYS 39 H LYS 39 -6.646 2.036 1.028 305 HA LYS 39 HA LYS 39 -6.055 0.036 2.978 306 HB2 LYS 39 1HB LYS 39 -7.620 2.615 3.122 307 HB3 LYS 39 2HB LYS 39 -7.326 1.585 4.517 308 HG2 LYS 39 1HG LYS 39 -4.934 1.896 4.277 309 HG3 LYS 39 2HG LYS 39 -5.189 2.868 2.826 310 HD2 LYS 39 1HD LYS 39 -6.186 4.617 4.049 311 HD3 LYS 39 2HD LYS 39 -6.405 3.602 5.476 312 HE2 LYS 39 1HE LYS 39 -4.003 3.528 5.821 313 HE3 LYS 39 2HE LYS 39 -3.743 4.465 4.350 314 HZ1 LYS 39 1HZ LYS 39 -4.063 6.338 5.463 315 HZ2 LYS 39 2HZ LYS 39 -4.098 5.446 6.899 316 HZ3 LYS 39 3HZ LYS 39 -5.540 5.802 6.090 317 H GLY 40 H GLY 40 -8.974 1.107 1.312 318 HA2 GLY 40 1HA GLY 40 -10.777 -0.464 2.864 319 HA3 GLY 40 2HA GLY 40 -11.121 0.276 1.308 320 H LEU 41 H LEU 41 -8.912 -1.064 -0.046 321 HA LEU 41 HA LEU 41 -10.266 -3.370 -0.917 322 HB2 LEU 41 1HB LEU 41 -8.782 -2.293 -2.415 323 HB3 LEU 41 2HB LEU 41 -7.439 -2.415 -1.281 324 HG LEU 41 HG LEU 41 -7.838 -5.005 -1.633 325 HD11 LEU 41 1HD1 LEU 41 -9.651 -5.129 -3.048 326 HD12 LEU 41 2HD1 LEU 41 -8.306 -5.215 -4.185 327 HD13 LEU 41 3HD1 LEU 41 -9.174 -3.697 -3.960 328 HD21 LEU 41 1HD2 LEU 41 -5.738 -4.017 -2.087 329 HD22 LEU 41 2HD2 LEU 41 -6.377 -3.109 -3.457 330 HD23 LEU 41 3HD2 LEU 41 -6.211 -4.862 -3.561 331 H LEU 42 H LEU 42 -7.524 -2.940 1.280 332 HA LEU 42 HA LEU 42 -7.353 -5.795 1.773 333 HB2 LEU 42 1HB LEU 42 -5.842 -3.439 2.881 334 HB3 LEU 42 2HB LEU 42 -5.557 -5.104 3.382 335 HG LEU 42 HG LEU 42 -5.225 -4.113 0.553 336 HD11 LEU 42 1HD1 LEU 42 -3.148 -4.526 2.698 337 HD12 LEU 42 2HD1 LEU 42 -3.638 -2.982 2.001 338 HD13 LEU 42 3HD1 LEU 42 -2.818 -4.181 1.000 339 HD21 LEU 42 1HD2 LEU 42 -3.949 -6.213 0.304 340 HD22 LEU 42 2HD2 LEU 42 -5.649 -6.486 0.686 341 HD23 LEU 42 3HD2 LEU 42 -4.422 -6.667 1.941 342 H SER 43 H SER 43 -8.895 -3.039 3.113 343 HA SER 43 HA SER 43 -9.097 -3.608 5.798 344 HB2 SER 43 1HB SER 43 -10.105 -1.604 5.288 345 HB3 SER 43 2HB SER 43 -10.873 -2.238 3.833 346 HG SER 43 HG SER 43 -11.643 -2.725 6.521 347 H ARG 44 H ARG 44 -10.663 -5.179 3.108 348 HA ARG 44 HA ARG 44 -12.460 -6.685 4.819 349 HB2 ARG 44 1HB ARG 44 -11.990 -6.574 1.851 350 HB3 ARG 44 2HB ARG 44 -12.974 -7.842 2.569 351 HG2 ARG 44 1HG ARG 44 -13.523 -4.933 3.055 352 HG3 ARG 44 2HG ARG 44 -14.183 -5.802 1.668 353 HD2 ARG 44 1HD ARG 44 -15.063 -7.492 3.363 354 HD3 ARG 44 2HD ARG 44 -14.681 -6.287 4.591 355 HE ARG 44 HE ARG 44 -16.275 -5.209 2.484 356 HH11 ARG 44 2HH1 ARG 44 -16.388 -7.093 5.410 357 HH12 ARG 44 1HH1 ARG 44 -18.033 -6.683 5.765 358 HH21 ARG 44 2HH2 ARG 44 -18.442 -4.661 2.942 359 HH22 ARG 44 1HH2 ARG 44 -19.201 -5.300 4.361 360 H LEU 45 H LEU 45 -9.315 -6.996 3.500 361 HA LEU 45 HA LEU 45 -9.210 -9.861 3.495 362 HB2 LEU 45 1HB LEU 45 -7.291 -7.636 3.085 363 HB3 LEU 45 2HB LEU 45 -6.631 -9.202 3.552 364 HG LEU 45 HG LEU 45 -6.545 -8.936 1.150 365 HD11 LEU 45 1HD1 LEU 45 -6.933 -11.108 0.957 366 HD12 LEU 45 2HD1 LEU 45 -8.675 -10.840 1.026 367 HD13 LEU 45 3HD1 LEU 45 -7.760 -11.073 2.515 368 HD21 LEU 45 1HD2 LEU 45 -9.548 -8.755 1.146 369 HD22 LEU 45 2HD2 LEU 45 -8.442 -8.552 -0.213 370 HD23 LEU 45 3HD2 LEU 45 -8.498 -7.341 1.068 371 H LEU 46 H LEU 46 -7.697 -7.379 5.565 372 HA LEU 46 HA LEU 46 -7.117 -9.393 7.581 373 HB2 LEU 46 1HB LEU 46 -6.536 -6.435 7.535 374 HB3 LEU 46 2HB LEU 46 -5.961 -7.575 8.750 375 HG LEU 46 HG LEU 46 -5.251 -7.955 5.866 376 HD11 LEU 46 1HD1 LEU 46 -4.651 -5.661 6.318 377 HD12 LEU 46 2HD1 LEU 46 -3.196 -6.656 6.274 378 HD13 LEU 46 3HD1 LEU 46 -3.859 -6.132 7.822 379 HD21 LEU 46 1HD2 LEU 46 -4.787 -9.419 8.138 380 HD22 LEU 46 2HD2 LEU 46 -3.298 -8.489 7.966 381 HD23 LEU 46 3HD2 LEU 46 -3.855 -9.517 6.644 382 H LYS 47 H LYS 47 -9.833 -7.954 6.802 383 HA LYS 47 HA LYS 47 -11.750 -7.338 7.866 384 HB2 LYS 47 1HB LYS 47 -10.522 -8.925 10.129 385 HB3 LYS 47 2HB LYS 47 -12.214 -8.459 10.010 386 HG2 LYS 47 1HG LYS 47 -12.356 -10.577 9.211 387 HG3 LYS 47 2HG LYS 47 -12.027 -9.729 7.698 388 HD2 LYS 47 1HD LYS 47 -9.776 -10.392 7.689 389 HD3 LYS 47 2HD LYS 47 -9.813 -10.844 9.395 390 HE2 LYS 47 1HE LYS 47 -11.475 -12.242 7.315 391 HE3 LYS 47 2HE LYS 47 -9.827 -12.739 7.697 392 HZ1 LYS 47 1HZ LYS 47 -11.800 -12.441 9.859 393 HZ2 LYS 47 2HZ LYS 47 -10.425 -13.425 9.794 394 HZ3 LYS 47 3HZ LYS 47 -11.806 -13.841 8.910 395 H VAL 48 H VAL 48 -9.657 -5.442 7.949 396 HA VAL 48 HA VAL 48 -10.173 -4.148 10.548 397 HB VAL 48 HB VAL 48 -7.742 -3.700 8.817 398 HG11 VAL 48 1HG1 VAL 48 -8.243 -2.946 11.691 399 HG12 VAL 48 2HG1 VAL 48 -6.859 -2.498 10.692 400 HG13 VAL 48 3HG1 VAL 48 -8.459 -1.851 10.326 401 HG21 VAL 48 1HG2 VAL 48 -8.193 -5.556 11.132 402 HG22 VAL 48 2HG2 VAL 48 -7.480 -5.907 9.557 403 HG23 VAL 48 3HG2 VAL 48 -6.587 -4.944 10.735 404 HA PRO 49 HA PRO 49 -12.152 -0.962 8.216 405 HB2 PRO 49 1HB PRO 49 -12.174 0.951 10.142 406 HB3 PRO 49 2HB PRO 49 -13.256 -0.446 10.164 407 HG2 PRO 49 1HG PRO 49 -10.696 -0.009 11.653 408 HG3 PRO 49 2HG PRO 49 -12.223 -0.700 12.232 409 HD2 PRO 49 1HD PRO 49 -10.104 -2.232 11.531 410 HD3 PRO 49 2HD PRO 49 -11.782 -2.767 11.311 411 H VAL 50 H VAL 50 -11.459 0.572 6.846 412 HA VAL 50 HA VAL 50 -8.839 1.195 6.392 413 HB VAL 50 HB VAL 50 -11.322 2.785 5.794 414 HG11 VAL 50 1HG1 VAL 50 -8.517 3.401 4.869 415 HG12 VAL 50 2HG1 VAL 50 -9.990 4.213 4.335 416 HG13 VAL 50 3HG1 VAL 50 -9.458 4.359 6.011 417 HG21 VAL 50 1HG2 VAL 50 -11.209 1.865 3.671 418 HG22 VAL 50 2HG2 VAL 50 -9.491 1.491 3.811 419 HG23 VAL 50 3HG2 VAL 50 -10.678 0.527 4.690 420 H SER 51 H SER 51 -10.900 2.478 8.841 421 HA SER 51 HA SER 51 -9.430 4.872 9.343 422 HB2 SER 51 1HB SER 51 -11.607 3.369 10.728 423 HB3 SER 51 2HB SER 51 -10.695 4.559 11.657 424 HG SER 51 HG SER 51 -12.054 5.035 9.209 425 H GLU 52 H GLU 52 -9.440 1.623 10.746 426 HA GLU 52 HA GLU 52 -7.253 2.338 12.538 427 HB2 GLU 52 1HB GLU 52 -8.789 -0.247 12.220 428 HB3 GLU 52 2HB GLU 52 -7.545 0.045 13.428 429 HG2 GLU 52 1HG GLU 52 -8.970 1.960 14.249 430 HG3 GLU 52 2HG GLU 52 -10.247 1.333 13.208 431 H LEU 53 H LEU 53 -7.193 1.914 9.466 432 HA LEU 53 HA LEU 53 -5.052 -0.099 9.392 433 HB2 LEU 53 1HB LEU 53 -6.982 0.940 7.370 434 HB3 LEU 53 2HB LEU 53 -5.434 0.296 6.826 435 HG LEU 53 HG LEU 53 -7.352 -1.279 8.531 436 HD11 LEU 53 1HD1 LEU 53 -7.457 -2.348 6.002 437 HD12 LEU 53 2HD1 LEU 53 -7.498 -0.610 5.703 438 HD13 LEU 53 3HD1 LEU 53 -8.701 -1.352 6.758 439 HD21 LEU 53 1HD2 LEU 53 -5.244 -2.262 8.663 440 HD22 LEU 53 2HD2 LEU 53 -4.858 -1.890 6.983 441 HD23 LEU 53 3HD2 LEU 53 -6.034 -3.150 7.360 442 H LEU 54 H LEU 54 -3.194 0.934 9.877 443 HA LEU 54 HA LEU 54 -2.629 3.528 8.656 444 HB2 LEU 54 1HB LEU 54 -0.776 2.086 10.508 445 HB3 LEU 54 2HB LEU 54 -0.962 3.819 10.246 446 HG LEU 54 HG LEU 54 -1.811 3.426 12.395 447 HD11 LEU 54 1HD1 LEU 54 -4.326 3.276 10.773 448 HD12 LEU 54 2HD1 LEU 54 -3.291 4.703 10.734 449 HD13 LEU 54 3HD1 LEU 54 -4.011 4.178 12.256 450 HD21 LEU 54 1HD2 LEU 54 -2.088 0.854 11.694 451 HD22 LEU 54 2HD2 LEU 54 -3.778 1.357 11.633 452 HD23 LEU 54 3HD2 LEU 54 -2.851 1.555 13.121 453 H LEU 55 H LEU 55 -1.982 3.263 6.593 454 HA LEU 55 HA LEU 55 -0.161 1.113 5.882 455 HB2 LEU 55 1HB LEU 55 -1.893 3.015 4.441 456 HB3 LEU 55 2HB LEU 55 -0.401 2.562 3.619 457 HG LEU 55 HG LEU 55 -1.041 0.243 3.621 458 HD11 LEU 55 1HD1 LEU 55 -2.126 -0.012 5.710 459 HD12 LEU 55 2HD1 LEU 55 -3.324 -0.386 4.472 460 HD13 LEU 55 3HD1 LEU 55 -3.363 1.174 5.293 461 HD21 LEU 55 1HD2 LEU 55 -3.591 0.902 2.671 462 HD22 LEU 55 2HD2 LEU 55 -2.103 0.747 1.737 463 HD23 LEU 55 3HD2 LEU 55 -2.586 2.320 2.372 464 H SER 56 H SER 56 1.959 1.348 6.039 465 HA SER 56 HA SER 56 3.115 4.029 5.636 466 HB2 SER 56 1HB SER 56 4.947 3.211 7.233 467 HB3 SER 56 2HB SER 56 3.387 3.613 7.950 468 HG SER 56 HG SER 56 3.619 1.675 8.770 469 H TYR 57 H TYR 57 4.380 4.121 3.915 470 HA TYR 57 HA TYR 57 5.467 1.647 2.799 471 HB2 TYR 57 1HB TYR 57 5.487 2.679 0.742 472 HB3 TYR 57 2HB TYR 57 4.163 3.550 1.508 473 HD1 TYR 57 1HD TYR 57 4.586 5.835 2.448 474 HD2 TYR 57 2HD TYR 57 7.459 3.799 0.061 475 HE1 TYR 57 1HE TYR 57 5.745 7.965 2.038 476 HE2 TYR 57 2HE TYR 57 8.627 5.924 -0.356 477 HH TYR 57 HH TYR 57 8.827 8.088 0.374 478 H GLU 58 H GLU 58 7.636 1.311 2.425 479 HA GLU 58 HA GLU 58 9.441 3.068 3.930 480 HB2 GLU 58 1HB GLU 58 9.264 0.558 4.407 481 HB3 GLU 58 2HB GLU 58 10.102 0.323 2.879 482 HG2 GLU 58 1HG GLU 58 11.835 1.979 3.906 483 HG3 GLU 58 2HG GLU 58 11.105 1.483 5.432 484 H SER 59 H SER 59 10.877 4.307 2.918 485 HA SER 59 HA SER 59 10.933 4.532 0.107 486 HB2 SER 59 1HB SER 59 11.513 6.310 1.880 487 HB3 SER 59 2HB SER 59 13.112 5.566 1.914 488 HG SER 59 HG SER 59 13.019 7.291 0.424 489 H SER 60 H SER 60 12.369 3.836 -1.417 490 HA SER 60 HA SER 60 13.893 1.487 -0.773 491 HB2 SER 60 1HB SER 60 14.458 1.535 -3.227 492 HB3 SER 60 2HB SER 60 12.729 1.509 -2.877 493 HG SER 60 HG SER 60 13.106 3.073 -4.422 494 H LYS 61 H LYS 61 14.620 4.804 -1.760 495 HA LYS 61 HA LYS 61 17.437 4.426 -1.912 496 HB2 LYS 61 1HB LYS 61 17.530 6.905 -1.946 497 HB3 LYS 61 2HB LYS 61 16.400 6.244 -3.121 498 HG2 LYS 61 1HG LYS 61 15.173 7.967 -2.250 499 HG3 LYS 61 2HG LYS 61 14.651 6.633 -1.218 500 HD2 LYS 61 1HD LYS 61 15.780 7.426 0.609 501 HD3 LYS 61 2HD LYS 61 17.017 8.223 -0.367 502 HE2 LYS 61 1HE LYS 61 14.159 9.156 -0.136 503 HE3 LYS 61 2HE LYS 61 15.494 9.793 0.823 504 HZ1 LYS 61 1HZ LYS 61 16.054 9.798 -1.984 505 HZ2 LYS 61 2HZ LYS 61 16.168 11.057 -0.860 506 HZ3 LYS 61 3HZ LYS 61 14.687 10.719 -1.605 507 H MET 62 H MET 62 15.239 4.917 0.677 508 HA MET 62 HA MET 62 17.506 5.140 2.532 509 HB2 MET 62 1HB MET 62 16.611 7.350 2.473 510 HB3 MET 62 2HB MET 62 14.959 6.755 2.570 511 HG2 MET 62 1HG MET 62 15.086 6.350 4.818 512 HG3 MET 62 2HG MET 62 16.835 6.134 4.791 513 HE1 MET 62 1HE MET 62 17.436 7.725 6.877 514 HE2 MET 62 2HE MET 62 18.459 7.755 5.441 515 HE3 MET 62 3HE MET 62 18.039 9.262 6.256 516 HA PRO 63 HA PRO 63 14.921 1.529 3.693 517 HB2 PRO 63 1HB PRO 63 17.022 0.043 4.559 518 HB3 PRO 63 2HB PRO 63 16.535 0.121 2.862 519 HG2 PRO 63 1HG PRO 63 18.730 1.589 4.272 520 HG3 PRO 63 2HG PRO 63 18.749 0.808 2.680 521 HD2 PRO 63 1HD PRO 63 18.455 3.482 2.987 522 HD3 PRO 63 2HD PRO 63 17.697 2.585 1.656 523 H GLY 64 H GLY 64 13.974 1.394 5.631 524 HA2 GLY 64 1HA GLY 64 14.197 1.023 8.024 525 HA3 GLY 64 2HA GLY 64 15.546 2.150 8.012 526 H ARG 65 H ARG 65 13.883 3.872 6.113 527 HA ARG 65 HA ARG 65 12.419 5.251 8.245 528 HB2 ARG 65 1HB ARG 65 14.167 6.495 6.978 529 HB3 ARG 65 2HB ARG 65 13.215 6.277 5.516 530 HG2 ARG 65 1HG ARG 65 11.442 7.620 6.386 531 HG3 ARG 65 2HG ARG 65 12.213 7.695 7.972 532 HD2 ARG 65 1HD ARG 65 13.692 8.671 5.570 533 HD3 ARG 65 2HD ARG 65 12.438 9.684 6.284 534 HE ARG 65 HE ARG 65 15.047 9.232 7.310 535 HH11 ARG 65 2HH1 ARG 65 11.742 9.750 8.274 536 HH12 ARG 65 1HH1 ARG 65 12.161 10.443 9.806 537 HH21 ARG 65 2HH2 ARG 65 15.611 10.143 9.324 538 HH22 ARG 65 1HH2 ARG 65 14.362 10.667 10.402 539 H GLU 66 H GLU 66 10.290 5.046 8.336 540 HA GLU 66 HA GLU 66 8.830 4.418 5.854 541 HB2 GLU 66 1HB GLU 66 7.163 3.291 7.239 542 HB3 GLU 66 2HB GLU 66 8.757 2.596 7.491 543 HG2 GLU 66 1HG GLU 66 7.561 2.819 9.587 544 HG3 GLU 66 2HG GLU 66 8.991 3.848 9.564 545 H ILE 67 H ILE 67 6.720 5.333 5.599 546 HA ILE 67 HA ILE 67 6.311 7.798 7.164 547 HB ILE 67 HB ILE 67 5.837 7.357 4.216 548 HG12 ILE 67 1HG1 ILE 67 7.351 9.479 4.207 549 HG13 ILE 67 2HG1 ILE 67 7.786 8.969 5.835 550 HG21 ILE 67 1HG2 ILE 67 4.410 9.022 5.999 551 HG22 ILE 67 2HG2 ILE 67 5.433 10.062 5.010 552 HG23 ILE 67 3HG2 ILE 67 4.298 8.954 4.240 553 HD11 ILE 67 1HD1 ILE 67 9.386 7.800 4.819 554 HD12 ILE 67 2HD1 ILE 67 8.099 6.664 4.416 555 HD13 ILE 67 3HD1 ILE 67 8.589 7.891 3.249 556 H GLU 68 H GLU 68 4.550 7.643 8.373 557 HA GLU 68 HA GLU 68 2.498 5.716 7.857 558 HB2 GLU 68 1HB GLU 68 1.370 7.065 9.795 559 HB3 GLU 68 2HB GLU 68 2.769 6.052 10.123 560 HG2 GLU 68 1HG GLU 68 4.176 7.849 10.411 561 HG3 GLU 68 2HG GLU 68 3.161 8.931 9.459 562 H LEU 69 H LEU 69 1.166 6.028 6.186 563 HA LEU 69 HA LEU 69 0.429 8.602 5.213 564 HB2 LEU 69 1HB LEU 69 -0.965 6.001 4.633 565 HB3 LEU 69 2HB LEU 69 -0.923 7.451 3.632 566 HG LEU 69 HG LEU 69 1.556 5.858 4.226 567 HD11 LEU 69 1HD1 LEU 69 1.179 4.400 2.520 568 HD12 LEU 69 2HD1 LEU 69 0.112 5.508 1.657 569 HD13 LEU 69 3HD1 LEU 69 -0.483 4.631 3.067 570 HD21 LEU 69 1HD2 LEU 69 0.771 7.861 2.116 571 HD22 LEU 69 2HD2 LEU 69 2.248 6.898 2.059 572 HD23 LEU 69 3HD2 LEU 69 1.992 8.045 3.376 573 H GLU 70 H GLU 70 -0.980 9.931 6.123 574 HA GLU 70 HA GLU 70 -3.231 8.775 7.634 575 HB2 GLU 70 1HB GLU 70 -3.242 10.964 8.879 576 HB3 GLU 70 2HB GLU 70 -1.838 9.947 9.168 577 HG2 GLU 70 1HG GLU 70 -0.453 11.307 7.825 578 HG3 GLU 70 2HG GLU 70 -1.834 12.182 7.165 579 H ASN 71 H ASN 71 -2.509 10.173 4.786 580 HA ASN 71 HA ASN 71 -4.983 11.758 4.664 581 HB2 ASN 71 1HB ASN 71 -2.408 11.847 3.134 582 HB3 ASN 71 2HB ASN 71 -3.881 12.455 2.384 583 HD21 ASN 71 1HD2 ASN 71 -4.577 14.432 2.892 584 HD22 ASN 71 2HD2 ASN 71 -3.883 15.443 4.109 585 H ASP 72 H ASP 72 -6.543 10.259 4.254 586 HA ASP 72 HA ASP 72 -6.180 8.154 2.333 587 HB2 ASP 72 1HB ASP 72 -8.881 8.983 3.318 588 HB3 ASP 72 2HB ASP 72 -8.252 7.367 3.005 589 H LEU 73 H LEU 73 -7.057 11.430 2.175 590 HA LEU 73 HA LEU 73 -8.555 11.120 -0.311 591 HB2 LEU 73 1HB LEU 73 -7.958 13.467 1.466 592 HB3 LEU 73 2HB LEU 73 -8.690 13.656 -0.126 593 HG LEU 73 HG LEU 73 -9.873 12.145 2.204 594 HD11 LEU 73 1HD1 LEU 73 -11.482 13.929 2.313 595 HD12 LEU 73 2HD1 LEU 73 -10.748 14.730 0.924 596 HD13 LEU 73 3HD1 LEU 73 -9.860 14.609 2.443 597 HD21 LEU 73 1HD2 LEU 73 -11.877 12.012 0.766 598 HD22 LEU 73 2HD2 LEU 73 -10.508 11.108 0.118 599 HD23 LEU 73 3HD2 LEU 73 -10.936 12.676 -0.569 600 H GLN 74 H GLN 74 -5.565 10.669 0.098 601 HA GLN 74 HA GLN 74 -4.708 12.345 -2.162 602 HB2 GLN 74 1HB GLN 74 -3.088 11.645 0.292 603 HB3 GLN 74 2HB GLN 74 -2.430 12.406 -1.151 604 HG2 GLN 74 1HG GLN 74 -4.713 13.640 0.338 605 HG3 GLN 74 2HG GLN 74 -3.046 13.881 0.857 606 HE21 GLN 74 1HE2 GLN 74 -4.961 15.825 -0.131 607 HE22 GLN 74 2HE2 GLN 74 -4.243 16.551 -1.525 608 HA PRO 75 HA PRO 75 -3.612 8.526 -4.057 609 HB2 PRO 75 1HB PRO 75 -1.834 9.454 -5.886 610 HB3 PRO 75 2HB PRO 75 -3.579 9.692 -6.036 611 HG2 PRO 75 1HG PRO 75 -1.487 11.586 -5.036 612 HG3 PRO 75 2HG PRO 75 -2.860 11.902 -6.114 613 HD2 PRO 75 1HD PRO 75 -2.904 12.521 -3.478 614 HD3 PRO 75 2HD PRO 75 -4.361 12.035 -4.369 615 H LEU 76 H LEU 76 -1.500 7.398 -4.845 616 HA LEU 76 HA LEU 76 0.229 7.206 -2.557 617 HB2 LEU 76 1HB LEU 76 0.049 5.770 -5.183 618 HB3 LEU 76 2HB LEU 76 1.408 5.509 -4.092 619 HG LEU 76 HG LEU 76 -0.111 3.741 -3.713 620 HD11 LEU 76 1HD1 LEU 76 0.819 5.072 -1.712 621 HD12 LEU 76 2HD1 LEU 76 -0.471 3.904 -1.426 622 HD13 LEU 76 3HD1 LEU 76 -0.842 5.626 -1.506 623 HD21 LEU 76 1HD2 LEU 76 -2.377 5.578 -3.080 624 HD22 LEU 76 2HD2 LEU 76 -2.405 3.890 -3.590 625 HD23 LEU 76 3HD2 LEU 76 -2.038 5.159 -4.759 626 H GLN 77 H GLN 77 0.392 8.589 -5.760 627 HA GLN 77 HA GLN 77 3.194 8.938 -5.890 628 HB2 GLN 77 1HB GLN 77 2.796 10.320 -7.768 629 HB3 GLN 77 2HB GLN 77 1.536 9.094 -7.805 630 HG2 GLN 77 1HG GLN 77 -0.065 10.653 -6.898 631 HG3 GLN 77 2HG GLN 77 1.189 11.879 -6.719 632 HE21 GLN 77 1HE2 GLN 77 -1.368 11.655 -8.323 633 HE22 GLN 77 2HE2 GLN 77 -0.900 12.107 -9.924 634 H PHE 78 H PHE 78 0.694 10.625 -4.219 635 HA PHE 78 HA PHE 78 2.023 13.118 -3.914 636 HB2 PHE 78 1HB PHE 78 -0.398 12.896 -3.599 637 HB3 PHE 78 2HB PHE 78 -0.131 11.845 -2.212 638 HD1 PHE 78 2HD PHE 78 0.133 15.287 -3.468 639 HD2 PHE 78 1HD PHE 78 0.456 12.732 -0.080 640 HE1 PHE 78 2HE PHE 78 0.177 17.256 -1.993 641 HE2 PHE 78 1HE PHE 78 0.500 14.697 1.402 642 HZ PHE 78 HZ PHE 78 0.362 16.962 0.445 643 H TYR 79 H TYR 79 2.655 10.079 -2.647 644 HA TYR 79 HA TYR 79 4.045 11.212 -0.312 645 HB2 TYR 79 1HB TYR 79 2.834 8.518 -0.839 646 HB3 TYR 79 2HB TYR 79 4.121 8.688 0.349 647 HD1 TYR 79 2HD TYR 79 3.752 9.927 2.417 648 HD2 TYR 79 1HD TYR 79 0.632 9.446 -0.437 649 HE1 TYR 79 2HE TYR 79 2.107 10.630 4.104 650 HE2 TYR 79 1HE TYR 79 -1.021 10.149 1.243 651 HH TYR 79 HH TYR 79 -0.111 10.703 4.596 652 H SER 80 H SER 80 4.682 10.503 -3.375 653 HA SER 80 HA SER 80 6.627 10.191 -4.525 654 HB2 SER 80 1HB SER 80 7.612 11.427 -2.501 655 HB3 SER 80 2HB SER 80 8.081 9.835 -1.906 656 HG SER 80 HG SER 80 9.256 9.551 -3.856 657 H VAL 81 H VAL 81 4.863 8.020 -3.545 658 HA VAL 81 HA VAL 81 6.583 5.755 -3.069 659 HB VAL 81 HB VAL 81 3.624 5.883 -3.665 660 HG11 VAL 81 1HG1 VAL 81 4.433 3.511 -2.293 661 HG12 VAL 81 2HG1 VAL 81 3.613 3.671 -3.848 662 HG13 VAL 81 3HG1 VAL 81 5.376 3.677 -3.773 663 HG21 VAL 81 1HG2 VAL 81 5.234 6.154 -1.225 664 HG22 VAL 81 2HG2 VAL 81 3.598 6.713 -1.575 665 HG23 VAL 81 3HG2 VAL 81 3.874 5.038 -1.097 666 H GLU 82 H GLU 82 7.728 4.847 -4.638 667 HA GLU 82 HA GLU 82 6.567 4.744 -7.345 668 HB2 GLU 82 1HB GLU 82 9.371 5.222 -6.410 669 HB3 GLU 82 2HB GLU 82 9.098 4.469 -7.975 670 HG2 GLU 82 1HG GLU 82 7.485 6.506 -8.322 671 HG3 GLU 82 2HG GLU 82 8.487 7.233 -7.067 672 H ASN 83 H ASN 83 7.429 2.902 -8.676 673 HA ASN 83 HA ASN 83 6.798 0.460 -7.509 674 HB2 ASN 83 1HB ASN 83 8.052 -0.500 -9.552 675 HB3 ASN 83 2HB ASN 83 6.656 0.532 -9.849 676 HD21 ASN 83 1HD2 ASN 83 7.258 1.249 -11.834 677 HD22 ASN 83 2HD2 ASN 83 8.632 2.259 -12.112 678 H GLY 84 H GLY 84 7.927 -1.121 -6.497 679 HA2 GLY 84 1HA GLY 84 10.003 -2.298 -6.085 680 HA3 GLY 84 2HA GLY 84 10.843 -0.761 -6.237 681 H ASP 85 H ASP 85 8.799 0.630 -4.612 682 HA ASP 85 HA ASP 85 10.036 0.479 -2.120 683 HB2 ASP 85 1HB ASP 85 7.279 1.488 -2.846 684 HB3 ASP 85 2HB ASP 85 8.055 1.755 -1.287 685 H CYS 86 H CYS 86 8.464 0.170 -0.073 686 HA CYS 86 HA CYS 86 7.215 -2.483 -0.342 687 HB2 CYS 86 1HB CYS 86 9.101 -1.494 1.795 688 HB3 CYS 86 2HB CYS 86 8.063 -2.895 2.028 689 HG CYS 86 HG CYS 86 10.991 -2.719 0.571 690 H LEU 87 H LEU 87 5.353 -2.842 0.806 691 HA LEU 87 HA LEU 87 4.166 -0.465 2.060 692 HB2 LEU 87 1HB LEU 87 2.992 -2.871 0.707 693 HB3 LEU 87 2HB LEU 87 2.019 -1.845 1.759 694 HG LEU 87 HG LEU 87 3.441 -0.910 -0.732 695 HD11 LEU 87 1HD1 LEU 87 1.541 -1.215 -1.935 696 HD12 LEU 87 2HD1 LEU 87 0.487 -1.023 -0.535 697 HD13 LEU 87 3HD1 LEU 87 1.344 -2.542 -0.791 698 HD21 LEU 87 1HD2 LEU 87 2.083 1.108 -0.439 699 HD22 LEU 87 2HD2 LEU 87 3.166 0.847 0.929 700 HD23 LEU 87 3HD2 LEU 87 1.450 0.459 1.074 701 H LEU 88 H LEU 88 3.666 -0.449 4.163 702 HA LEU 88 HA LEU 88 3.874 -2.988 5.644 703 HB2 LEU 88 1HB LEU 88 4.437 -0.212 6.671 704 HB3 LEU 88 2HB LEU 88 4.645 -1.721 7.556 705 HG LEU 88 HG LEU 88 6.186 -1.272 5.036 706 HD11 LEU 88 1HD1 LEU 88 6.331 0.730 6.679 707 HD12 LEU 88 2HD1 LEU 88 7.814 0.027 6.034 708 HD13 LEU 88 3HD1 LEU 88 7.285 -0.377 7.668 709 HD21 LEU 88 1HD2 LEU 88 6.044 -3.424 6.516 710 HD22 LEU 88 2HD2 LEU 88 7.182 -2.550 7.542 711 HD23 LEU 88 3HD2 LEU 88 7.593 -2.892 5.861 712 H VAL 89 H VAL 89 1.885 -3.667 6.110 713 HA VAL 89 HA VAL 89 -0.254 -1.764 6.619 714 HB VAL 89 HB VAL 89 -0.396 -4.780 6.660 715 HG11 VAL 89 1HG1 VAL 89 -2.777 -3.357 5.856 716 HG12 VAL 89 2HG1 VAL 89 -2.558 -4.553 7.135 717 HG13 VAL 89 3HG1 VAL 89 -2.237 -2.848 7.456 718 HG21 VAL 89 1HG2 VAL 89 -1.352 -4.505 4.356 719 HG22 VAL 89 2HG2 VAL 89 -0.781 -2.836 4.390 720 HG23 VAL 89 3HG2 VAL 89 0.373 -4.166 4.489 721 H ARG 90 H ARG 90 -1.100 -1.299 8.564 722 HA ARG 90 HA ARG 90 -0.515 -3.000 10.857 723 HB2 ARG 90 1HB ARG 90 0.564 -0.265 10.441 724 HB3 ARG 90 2HB ARG 90 -0.035 -0.647 12.049 725 HG2 ARG 90 1HG ARG 90 1.583 -2.243 12.421 726 HG3 ARG 90 2HG ARG 90 1.861 -2.511 10.699 727 HD2 ARG 90 1HD ARG 90 3.732 -1.305 11.210 728 HD3 ARG 90 2HD ARG 90 2.634 0.009 10.788 729 HE ARG 90 HE ARG 90 2.379 -0.465 13.522 730 HH11 ARG 90 2HH1 ARG 90 4.784 0.654 11.267 731 HH12 ARG 90 1HH1 ARG 90 5.590 1.660 12.425 732 HH21 ARG 90 2HH2 ARG 90 3.432 0.854 15.056 733 HH22 ARG 90 1HH2 ARG 90 4.821 1.772 14.580 734 H TRP 91 H TRP 91 -1.769 -2.352 12.789 735 HA TRP 91 HA TRP 91 -3.902 -0.483 12.568 736 HB2 TRP 91 1HB TRP 91 -5.780 -2.011 12.473 737 HB3 TRP 91 2HB TRP 91 -4.750 -2.277 11.069 738 HD1 TRP 91 HD TRP 91 -5.809 -3.936 14.361 739 HE1 TRP 91 1HE TRP 91 -5.226 -6.440 14.238 740 HE3 TRP 91 3HE TRP 91 -3.204 -3.949 9.962 741 HZ2 TRP 91 2HZ TRP 91 -3.844 -8.189 12.506 742 HZ3 TRP 91 3HZ TRP 91 -2.284 -6.078 9.142 743 HH2 TRP 91 HH TRP 91 -2.598 -8.153 10.389 744 H SER 92 H SER 92 -4.838 -0.069 14.532 745 HA SER 92 HA SER 92 -4.128 -1.849 16.764 746 HB2 SER 92 1HB SER 92 -2.591 0.106 16.710 747 HB3 SER 92 2HB SER 92 -3.986 1.175 16.846 748 HG SER 92 HG SER 92 -4.292 0.552 18.889 749 H GLY 93 H GLY 93 -5.837 -2.440 17.922 750 HA2 GLY 93 1HA GLY 93 -7.748 -1.274 19.220 751 HA3 GLY 93 2HA GLY 93 -8.327 -0.908 17.602 752 HA PRO 94 HA PRO 94 -8.641 -5.710 18.323 753 HB2 PRO 94 1HB PRO 94 -8.715 -6.450 20.934 754 HB3 PRO 94 2HB PRO 94 -7.216 -6.371 20.000 755 HG2 PRO 94 1HG PRO 94 -8.353 -4.384 21.929 756 HG3 PRO 94 2HG PRO 94 -6.678 -4.939 21.752 757 HD2 PRO 94 1HD PRO 94 -7.547 -2.584 20.738 758 HD3 PRO 94 2HD PRO 94 -6.273 -3.545 19.961 759 H SER 95 H SER 95 -10.711 -4.813 17.595 760 HA SER 95 HA SER 95 -12.764 -4.120 19.426 761 HB2 SER 95 1HB SER 95 -12.826 -4.948 16.520 762 HB3 SER 95 2HB SER 95 -14.271 -4.478 17.415 763 HG SER 95 HG SER 95 -13.252 -2.457 17.815 764 H SER 96 H SER 96 -13.962 -5.386 20.671 765 HA SER 96 HA SER 96 -13.679 -8.221 20.631 766 HB2 SER 96 1HB SER 96 -15.188 -8.227 22.513 767 HB3 SER 96 2HB SER 96 -14.096 -6.854 22.694 768 HG SER 96 HG SER 96 -15.708 -5.484 22.175 769 H GLY 97 H GLY 97 -14.801 -9.689 19.530 770 HA2 GLY 97 1HA GLY 97 -17.008 -8.816 17.856 771 HA3 GLY 97 2HA GLY 97 -16.223 -10.387 17.813 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -2.464 -4.280 -20.831 2 HA2 GLY 1 1HA GLY 1 -1.306 -2.264 -20.380 3 HA3 GLY 1 2HA GLY 1 0.125 -3.204 -19.984 4 H SER 2 H SER 2 -1.845 -1.937 -22.598 5 HA SER 2 HA SER 2 0.431 -2.355 -24.425 6 HB2 SER 2 1HB SER 2 -1.270 -2.307 -26.270 7 HB3 SER 2 2HB SER 2 -1.435 -3.684 -25.179 8 HG SER 2 HG SER 2 -3.341 -2.992 -24.649 9 H SER 3 H SER 3 -2.437 -0.269 -24.030 10 HA SER 3 HA SER 3 -1.551 1.858 -25.582 11 HB2 SER 3 1HB SER 3 -3.158 3.241 -24.260 12 HB3 SER 3 2HB SER 3 -3.854 1.729 -24.844 13 HG SER 3 HG SER 3 -4.288 2.245 -22.592 14 H GLY 4 H GLY 4 -1.309 1.482 -22.042 15 HA2 GLY 4 1HA GLY 4 0.519 2.100 -20.710 16 HA3 GLY 4 2HA GLY 4 1.197 2.966 -22.081 17 H SER 5 H SER 5 -2.019 3.254 -20.614 18 HA SER 5 HA SER 5 -2.248 5.981 -20.787 19 HB2 SER 5 1HB SER 5 -3.349 4.171 -18.624 20 HB3 SER 5 2HB SER 5 -3.895 5.820 -18.928 21 HG SER 5 HG SER 5 -4.886 3.732 -20.009 22 H SER 6 H SER 6 -2.173 7.647 -19.105 23 HA SER 6 HA SER 6 0.304 8.109 -18.075 24 HB2 SER 6 1HB SER 6 -1.844 9.616 -18.155 25 HB3 SER 6 2HB SER 6 -2.067 9.050 -16.500 26 HG SER 6 HG SER 6 -0.558 10.371 -15.904 27 H GLY 7 H GLY 7 -2.450 6.852 -16.180 28 HA2 GLY 7 1HA GLY 7 -0.959 6.352 -13.839 29 HA3 GLY 7 2HA GLY 7 -2.512 5.633 -14.236 30 H GLN 8 H GLN 8 0.551 4.889 -13.448 31 HA GLN 8 HA GLN 8 0.491 2.375 -14.985 32 HB2 GLN 8 1HB GLN 8 2.927 2.314 -14.847 33 HB3 GLN 8 2HB GLN 8 2.387 3.792 -15.630 34 HG2 GLN 8 1HG GLN 8 2.872 5.096 -13.726 35 HG3 GLN 8 2HG GLN 8 3.078 3.668 -12.713 36 HE21 GLN 8 1HE2 GLN 8 5.095 5.002 -12.295 37 HE22 GLN 8 2HE2 GLN 8 6.469 4.639 -13.277 38 H LEU 9 H LEU 9 0.755 0.474 -13.896 39 HA LEU 9 HA LEU 9 0.124 0.420 -11.142 40 HB2 LEU 9 1HB LEU 9 0.830 -1.581 -13.214 41 HB3 LEU 9 2HB LEU 9 0.984 -2.069 -11.528 42 HG LEU 9 HG LEU 9 -1.141 -2.803 -12.241 43 HD11 LEU 9 1HD1 LEU 9 -2.300 -2.032 -10.488 44 HD12 LEU 9 2HD1 LEU 9 -2.175 -0.354 -11.016 45 HD13 LEU 9 3HD1 LEU 9 -0.844 -1.102 -10.133 46 HD21 LEU 9 1HD2 LEU 9 -2.241 -0.198 -13.019 47 HD22 LEU 9 2HD2 LEU 9 -2.455 -1.789 -13.751 48 HD23 LEU 9 3HD2 LEU 9 -1.015 -0.837 -14.114 49 H LEU 10 H LEU 10 1.358 0.011 -9.346 50 HA LEU 10 HA LEU 10 4.272 0.184 -9.734 51 HB2 LEU 10 1HB LEU 10 3.006 0.799 -7.116 52 HB3 LEU 10 2HB LEU 10 4.462 1.470 -7.849 53 HG LEU 10 HG LEU 10 1.630 2.150 -8.642 54 HD11 LEU 10 1HD1 LEU 10 3.430 3.201 -6.602 55 HD12 LEU 10 2HD1 LEU 10 1.694 3.424 -6.810 56 HD13 LEU 10 3HD1 LEU 10 2.826 4.430 -7.713 57 HD21 LEU 10 1HD2 LEU 10 4.321 2.991 -9.656 58 HD22 LEU 10 2HD2 LEU 10 2.926 4.062 -9.789 59 HD23 LEU 10 3HD2 LEU 10 2.898 2.476 -10.563 60 H THR 11 H THR 11 5.371 -1.600 -9.307 61 HA THR 11 HA THR 11 4.145 -3.825 -7.958 62 HB THR 11 HB THR 11 7.041 -3.617 -8.778 63 HG1 THR 11 1HG THR 11 4.968 -4.659 -10.410 64 HG21 THR 11 1HG2 THR 11 6.804 -5.578 -7.564 65 HG22 THR 11 2HG2 THR 11 6.504 -6.131 -9.212 66 HG23 THR 11 3HG2 THR 11 5.151 -5.842 -8.118 67 H LEU 12 H LEU 12 3.922 -3.684 -5.808 68 HA LEU 12 HA LEU 12 6.314 -3.004 -4.231 69 HB2 LEU 12 1HB LEU 12 3.492 -2.440 -3.361 70 HB3 LEU 12 2HB LEU 12 4.987 -1.895 -2.605 71 HG LEU 12 HG LEU 12 4.192 -1.004 -5.362 72 HD11 LEU 12 1HD1 LEU 12 3.646 1.097 -3.663 73 HD12 LEU 12 2HD1 LEU 12 2.970 -0.299 -2.824 74 HD13 LEU 12 3HD1 LEU 12 2.458 0.072 -4.470 75 HD21 LEU 12 1HD2 LEU 12 6.501 -0.635 -4.759 76 HD22 LEU 12 2HD2 LEU 12 6.018 0.119 -3.240 77 HD23 LEU 12 3HD2 LEU 12 5.643 0.905 -4.774 78 H LYS 13 H LYS 13 5.953 -3.779 -1.856 79 HA LYS 13 HA LYS 13 4.832 -6.503 -1.952 80 HB2 LYS 13 1HB LYS 13 7.109 -5.743 -0.150 81 HB3 LYS 13 2HB LYS 13 6.631 -7.340 -0.711 82 HG2 LYS 13 1HG LYS 13 7.294 -6.514 -3.041 83 HG3 LYS 13 2HG LYS 13 8.109 -5.197 -2.194 84 HD2 LYS 13 1HD LYS 13 9.822 -6.712 -2.336 85 HD3 LYS 13 2HD LYS 13 9.122 -7.179 -0.784 86 HE2 LYS 13 1HE LYS 13 7.772 -8.892 -1.995 87 HE3 LYS 13 2HE LYS 13 8.660 -8.485 -3.463 88 HZ1 LYS 13 1HZ LYS 13 10.692 -8.949 -1.875 89 HZ2 LYS 13 2HZ LYS 13 9.921 -10.198 -2.716 90 HZ3 LYS 13 3HZ LYS 13 9.559 -9.927 -1.086 91 H ILE 14 H ILE 14 3.108 -6.688 -0.695 92 HA ILE 14 HA ILE 14 2.675 -4.830 1.496 93 HB ILE 14 HB ILE 14 0.915 -7.046 0.439 94 HG12 ILE 14 1HG1 ILE 14 -0.422 -4.860 -0.218 95 HG13 ILE 14 2HG1 ILE 14 1.178 -4.129 -0.160 96 HG21 ILE 14 1HG2 ILE 14 0.642 -5.150 2.704 97 HG22 ILE 14 2HG2 ILE 14 -0.793 -5.491 1.740 98 HG23 ILE 14 3HG2 ILE 14 0.065 -6.808 2.538 99 HD11 ILE 14 1HD1 ILE 14 1.499 -4.822 -2.231 100 HD12 ILE 14 2HD1 ILE 14 1.465 -6.484 -1.642 101 HD13 ILE 14 3HD1 ILE 14 -0.019 -5.720 -2.212 102 H LYS 15 H LYS 15 3.079 -5.257 3.561 103 HA LYS 15 HA LYS 15 3.076 -8.013 4.517 104 HB2 LYS 15 1HB LYS 15 5.409 -7.545 3.855 105 HB3 LYS 15 2HB LYS 15 5.424 -6.151 4.926 106 HG2 LYS 15 1HG LYS 15 4.864 -7.805 6.792 107 HG3 LYS 15 2HG LYS 15 5.328 -9.060 5.640 108 HD2 LYS 15 1HD LYS 15 7.541 -8.372 5.588 109 HD3 LYS 15 2HD LYS 15 7.153 -6.744 6.147 110 HE2 LYS 15 1HE LYS 15 6.562 -7.702 8.358 111 HE3 LYS 15 2HE LYS 15 7.095 -9.280 7.779 112 HZ1 LYS 15 1HZ LYS 15 9.282 -8.078 7.279 113 HZ2 LYS 15 2HZ LYS 15 8.932 -8.452 8.891 114 HZ3 LYS 15 3HZ LYS 15 8.712 -6.874 8.322 115 H CYS 16 H CYS 16 1.752 -8.015 6.201 116 HA CYS 16 HA CYS 16 1.178 -5.610 7.671 117 HB2 CYS 16 1HB CYS 16 0.230 -8.458 8.042 118 HB3 CYS 16 2HB CYS 16 -0.365 -7.083 8.965 119 HG CYS 16 HG CYS 16 -1.805 -5.940 7.037 120 H SER 17 H SER 17 2.339 -4.897 9.320 121 HA SER 17 HA SER 17 4.470 -6.294 10.483 122 HB2 SER 17 1HB SER 17 3.877 -3.731 10.458 123 HB3 SER 17 2HB SER 17 3.081 -4.104 11.986 124 HG SER 17 HG SER 17 4.986 -4.592 12.883 125 H ASN 18 H ASN 18 1.275 -5.519 11.866 126 HA ASN 18 HA ASN 18 1.535 -6.826 14.284 127 HB2 ASN 18 1HB ASN 18 -0.777 -6.118 12.540 128 HB3 ASN 18 2HB ASN 18 -1.067 -7.228 13.876 129 HD21 ASN 18 1HD2 ASN 18 -2.481 -5.266 14.346 130 HD22 ASN 18 2HD2 ASN 18 -1.787 -4.063 15.373 131 H GLN 19 H GLN 19 1.430 -8.174 11.164 132 HA GLN 19 HA GLN 19 0.926 -10.850 12.292 133 HB2 GLN 19 1HB GLN 19 0.399 -9.806 9.507 134 HB3 GLN 19 2HB GLN 19 0.285 -11.502 9.956 135 HG2 GLN 19 1HG GLN 19 -1.828 -9.942 9.908 136 HG3 GLN 19 2HG GLN 19 -1.647 -11.216 11.113 137 HE21 GLN 19 1HE2 GLN 19 -1.606 -10.688 13.212 138 HE22 GLN 19 2HE2 GLN 19 -1.646 -9.073 13.824 139 HA PRO 20 HA PRO 20 5.341 -10.937 11.129 140 HB2 PRO 20 1HB PRO 20 5.996 -12.826 12.966 141 HB3 PRO 20 2HB PRO 20 5.881 -11.106 13.356 142 HG2 PRO 20 1HG PRO 20 3.883 -13.289 13.809 143 HG3 PRO 20 2HG PRO 20 4.368 -11.973 14.895 144 HD2 PRO 20 1HD PRO 20 2.089 -11.892 13.434 145 HD3 PRO 20 2HD PRO 20 3.018 -10.434 13.835 146 H GLU 21 H GLU 21 3.119 -13.631 11.718 147 HA GLU 21 HA GLU 21 4.643 -15.572 10.311 148 HB2 GLU 21 1HB GLU 21 2.929 -16.156 11.988 149 HB3 GLU 21 2HB GLU 21 1.681 -15.540 10.914 150 HG2 GLU 21 1HG GLU 21 2.341 -17.242 9.244 151 HG3 GLU 21 2HG GLU 21 3.483 -17.898 10.417 152 H ARG 22 H ARG 22 1.824 -13.601 9.418 153 HA ARG 22 HA ARG 22 1.176 -14.501 6.962 154 HB2 ARG 22 1HB ARG 22 1.317 -11.762 8.119 155 HB3 ARG 22 2HB ARG 22 1.049 -11.899 6.386 156 HG2 ARG 22 1HG ARG 22 -0.816 -13.580 7.097 157 HG3 ARG 22 2HG ARG 22 -0.698 -12.742 8.646 158 HD2 ARG 22 1HD ARG 22 -1.014 -10.592 7.416 159 HD3 ARG 22 2HD ARG 22 -1.319 -11.532 5.957 160 HE ARG 22 HE ARG 22 -3.117 -11.117 8.157 161 HH11 ARG 22 2HH1 ARG 22 -2.273 -13.216 5.511 162 HH12 ARG 22 1HH1 ARG 22 -3.861 -13.895 5.373 163 HH21 ARG 22 2HH2 ARG 22 -5.212 -12.003 7.985 164 HH22 ARG 22 1HH2 ARG 22 -5.532 -13.204 6.779 165 H GLN 23 H GLN 23 2.198 -14.895 5.117 166 HA GLN 23 HA GLN 23 4.942 -14.124 4.772 167 HB2 GLN 23 1HB GLN 23 3.746 -16.313 4.022 168 HB3 GLN 23 2HB GLN 23 3.270 -15.370 2.616 169 HG2 GLN 23 1HG GLN 23 5.403 -15.232 1.807 170 HG3 GLN 23 2HG GLN 23 6.136 -15.406 3.401 171 HE21 GLN 23 1HE2 GLN 23 7.090 -17.266 3.766 172 HE22 GLN 23 2HE2 GLN 23 6.724 -18.771 3.001 173 H ILE 24 H ILE 24 5.810 -12.816 3.147 174 HA ILE 24 HA ILE 24 4.334 -10.487 2.533 175 HB ILE 24 HB ILE 24 6.907 -11.443 1.271 176 HG12 ILE 24 1HG1 ILE 24 6.723 -9.407 3.465 177 HG13 ILE 24 2HG1 ILE 24 6.710 -11.121 3.863 178 HG21 ILE 24 1HG2 ILE 24 7.050 -8.759 1.233 179 HG22 ILE 24 2HG2 ILE 24 6.423 -9.721 -0.104 180 HG23 ILE 24 3HG2 ILE 24 5.310 -8.975 1.043 181 HD11 ILE 24 1HD1 ILE 24 8.940 -10.483 4.053 182 HD12 ILE 24 2HD1 ILE 24 8.846 -11.272 2.478 183 HD13 ILE 24 3HD1 ILE 24 8.884 -9.512 2.582 184 H LEU 25 H LEU 25 3.459 -9.746 0.616 185 HA LEU 25 HA LEU 25 3.182 -11.736 -1.539 186 HB2 LEU 25 1HB LEU 25 1.024 -9.751 -1.078 187 HB3 LEU 25 2HB LEU 25 0.934 -11.386 -1.729 188 HG LEU 25 HG LEU 25 1.434 -10.828 1.186 189 HD11 LEU 25 1HD1 LEU 25 -0.858 -10.084 -0.101 190 HD12 LEU 25 2HD1 LEU 25 -0.738 -10.511 1.606 191 HD13 LEU 25 3HD1 LEU 25 -1.242 -11.722 0.428 192 HD21 LEU 25 1HD2 LEU 25 0.796 -13.228 -0.476 193 HD22 LEU 25 2HD2 LEU 25 0.302 -13.172 1.216 194 HD23 LEU 25 3HD2 LEU 25 2.008 -13.028 0.790 195 H GLU 26 H GLU 26 1.991 -10.370 -3.476 196 HA GLU 26 HA GLU 26 3.375 -7.822 -3.829 197 HB2 GLU 26 1HB GLU 26 4.849 -9.628 -4.738 198 HB3 GLU 26 2HB GLU 26 3.567 -10.044 -5.867 199 HG2 GLU 26 1HG GLU 26 3.734 -7.513 -6.512 200 HG3 GLU 26 2HG GLU 26 5.344 -7.660 -5.810 201 H LYS 27 H LYS 27 1.876 -6.413 -4.412 202 HA LYS 27 HA LYS 27 -0.184 -7.254 -6.336 203 HB2 LYS 27 1HB LYS 27 -0.952 -7.035 -3.877 204 HB3 LYS 27 2HB LYS 27 -0.776 -5.303 -4.126 205 HG2 LYS 27 1HG LYS 27 -3.016 -5.673 -4.560 206 HG3 LYS 27 2HG LYS 27 -2.298 -5.665 -6.173 207 HD2 LYS 27 1HD LYS 27 -2.422 -8.006 -6.356 208 HD3 LYS 27 2HD LYS 27 -2.694 -8.209 -4.624 209 HE2 LYS 27 1HE LYS 27 -4.866 -6.960 -4.949 210 HE3 LYS 27 2HE LYS 27 -4.597 -7.114 -6.684 211 HZ1 LYS 27 1HZ LYS 27 -4.433 -9.573 -6.274 212 HZ2 LYS 27 2HZ LYS 27 -5.970 -8.901 -6.059 213 HZ3 LYS 27 3HZ LYS 27 -5.019 -9.285 -4.713 214 H GLN 28 H GLN 28 -0.560 -5.871 -7.980 215 HA GLN 28 HA GLN 28 1.050 -3.422 -8.045 216 HB2 GLN 28 1HB GLN 28 0.022 -5.304 -10.099 217 HB3 GLN 28 2HB GLN 28 0.153 -3.613 -10.562 218 HG2 GLN 28 1HG GLN 28 2.562 -3.899 -9.499 219 HG3 GLN 28 2HG GLN 28 2.274 -5.582 -9.937 220 HE21 GLN 28 1HE2 GLN 28 3.586 -2.780 -10.977 221 HE22 GLN 28 2HE2 GLN 28 3.515 -3.031 -12.684 222 H LEU 29 H LEU 29 0.104 -1.528 -7.730 223 HA LEU 29 HA LEU 29 -2.706 -1.191 -8.517 224 HB2 LEU 29 1HB LEU 29 -1.488 -0.174 -5.954 225 HB3 LEU 29 2HB LEU 29 -3.142 0.098 -6.500 226 HG LEU 29 HG LEU 29 -3.094 -1.578 -4.754 227 HD11 LEU 29 1HD1 LEU 29 -4.155 -3.464 -6.004 228 HD12 LEU 29 2HD1 LEU 29 -3.701 -2.651 -7.501 229 HD13 LEU 29 3HD1 LEU 29 -4.813 -1.871 -6.377 230 HD21 LEU 29 1HD2 LEU 29 -1.755 -3.657 -6.300 231 HD22 LEU 29 2HD2 LEU 29 -1.589 -3.222 -4.599 232 HD23 LEU 29 3HD2 LEU 29 -0.686 -2.336 -5.829 233 HA PRO 30 HA PRO 30 -1.291 2.470 -10.501 234 HB2 PRO 30 1HB PRO 30 -3.609 3.881 -10.559 235 HB3 PRO 30 2HB PRO 30 -3.310 2.483 -11.598 236 HG2 PRO 30 1HG PRO 30 -4.849 2.643 -9.036 237 HG3 PRO 30 2HG PRO 30 -5.257 1.788 -10.534 238 HD2 PRO 30 1HD PRO 30 -4.210 0.529 -8.378 239 HD3 PRO 30 2HD PRO 30 -3.878 0.008 -10.042 240 H ASP 31 H ASP 31 -0.081 4.020 -9.631 241 HA ASP 31 HA ASP 31 -0.016 4.887 -7.058 242 HB2 ASP 31 1HB ASP 31 1.299 6.729 -7.772 243 HB3 ASP 31 2HB ASP 31 1.605 5.443 -8.935 244 H SER 32 H SER 32 -2.311 5.780 -9.488 245 HA SER 32 HA SER 32 -3.251 8.188 -8.356 246 HB2 SER 32 1HB SER 32 -3.773 7.553 -10.661 247 HB3 SER 32 2HB SER 32 -4.707 6.172 -10.086 248 HG SER 32 HG SER 32 -5.856 8.003 -8.847 249 H MET 33 H MET 33 -4.239 4.814 -7.937 250 HA MET 33 HA MET 33 -6.526 4.977 -6.510 251 HB2 MET 33 1HB MET 33 -4.981 2.938 -7.047 252 HB3 MET 33 2HB MET 33 -4.341 3.229 -5.435 253 HG2 MET 33 1HG MET 33 -6.254 2.567 -4.400 254 HG3 MET 33 2HG MET 33 -7.283 3.058 -5.743 255 HE1 MET 33 1HE MET 33 -5.922 -0.963 -4.607 256 HE2 MET 33 2HE MET 33 -4.476 -0.034 -5.004 257 HE3 MET 33 3HE MET 33 -5.628 0.590 -3.823 258 H THR 34 H THR 34 -7.088 6.336 -4.947 259 HA THR 34 HA THR 34 -5.340 7.743 -3.285 260 HB THR 34 HB THR 34 -7.390 8.163 -1.856 261 HG1 THR 34 1HG THR 34 -9.323 7.315 -2.544 262 HG21 THR 34 1HG2 THR 34 -6.669 9.164 -4.330 263 HG22 THR 34 2HG2 THR 34 -7.853 9.870 -3.229 264 HG23 THR 34 3HG2 THR 34 -8.382 8.790 -4.519 265 H VAL 35 H VAL 35 -4.544 7.418 -1.260 266 HA VAL 35 HA VAL 35 -3.864 4.983 -0.306 267 HB VAL 35 HB VAL 35 -4.517 7.437 1.325 268 HG11 VAL 35 1HG1 VAL 35 -2.687 6.017 2.778 269 HG12 VAL 35 2HG1 VAL 35 -4.422 6.068 3.095 270 HG13 VAL 35 3HG1 VAL 35 -3.735 4.744 2.152 271 HG21 VAL 35 1HG2 VAL 35 -2.506 8.206 0.748 272 HG22 VAL 35 2HG2 VAL 35 -1.735 6.658 1.091 273 HG23 VAL 35 3HG2 VAL 35 -2.474 6.945 -0.484 274 H GLN 36 H GLN 36 -6.945 6.589 0.141 275 HA GLN 36 HA GLN 36 -7.974 4.918 2.164 276 HB2 GLN 36 1HB GLN 36 -8.850 7.186 1.134 277 HB3 GLN 36 2HB GLN 36 -9.775 6.107 0.098 278 HG2 GLN 36 1HG GLN 36 -10.770 5.063 2.065 279 HG3 GLN 36 2HG GLN 36 -9.839 6.139 3.107 280 HE21 GLN 36 1HE2 GLN 36 -11.911 6.442 0.236 281 HE22 GLN 36 2HE2 GLN 36 -12.852 7.756 0.845 282 H LYS 37 H LYS 37 -8.251 4.783 -1.373 283 HA LYS 37 HA LYS 37 -9.947 2.596 -1.591 284 HB2 LYS 37 1HB LYS 37 -7.695 3.516 -3.379 285 HB3 LYS 37 2HB LYS 37 -8.804 2.222 -3.818 286 HG2 LYS 37 1HG LYS 37 -9.942 4.841 -2.992 287 HG3 LYS 37 2HG LYS 37 -9.208 4.700 -4.591 288 HD2 LYS 37 1HD LYS 37 -11.233 2.707 -3.626 289 HD3 LYS 37 2HD LYS 37 -11.730 4.235 -4.357 290 HE2 LYS 37 1HE LYS 37 -11.690 2.809 -6.177 291 HE3 LYS 37 2HE LYS 37 -10.098 3.561 -6.258 292 HZ1 LYS 37 1HZ LYS 37 -10.503 0.929 -6.344 293 HZ2 LYS 37 2HZ LYS 37 -10.249 1.132 -4.684 294 HZ3 LYS 37 3HZ LYS 37 -9.070 1.636 -5.787 295 H VAL 38 H VAL 38 -6.382 2.601 -1.599 296 HA VAL 38 HA VAL 38 -5.966 -0.131 -1.780 297 HB VAL 38 HB VAL 38 -4.309 1.868 -0.234 298 HG11 VAL 38 1HG1 VAL 38 -3.895 -0.558 0.280 299 HG12 VAL 38 2HG1 VAL 38 -3.419 -0.759 -1.408 300 HG13 VAL 38 3HG1 VAL 38 -2.507 0.324 -0.355 301 HG21 VAL 38 1HG2 VAL 38 -3.114 2.292 -2.196 302 HG22 VAL 38 2HG2 VAL 38 -3.768 0.872 -3.013 303 HG23 VAL 38 3HG2 VAL 38 -4.797 2.273 -2.721 304 H LYS 39 H LYS 39 -6.573 1.853 1.082 305 HA LYS 39 HA LYS 39 -6.165 -0.189 2.992 306 HB2 LYS 39 1HB LYS 39 -7.599 2.448 3.023 307 HB3 LYS 39 2HB LYS 39 -7.709 1.362 4.401 308 HG2 LYS 39 1HG LYS 39 -5.435 1.542 4.879 309 HG3 LYS 39 2HG LYS 39 -5.055 2.177 3.277 310 HD2 LYS 39 1HD LYS 39 -6.289 4.235 3.822 311 HD3 LYS 39 2HD LYS 39 -6.615 3.599 5.436 312 HE2 LYS 39 1HE LYS 39 -4.128 3.423 5.753 313 HE3 LYS 39 2HE LYS 39 -3.942 4.304 4.238 314 HZ1 LYS 39 1HZ LYS 39 -4.015 5.519 6.562 315 HZ2 LYS 39 2HZ LYS 39 -5.680 5.479 6.269 316 HZ3 LYS 39 3HZ LYS 39 -4.645 6.234 5.164 317 H GLY 40 H GLY 40 -9.071 0.986 1.331 318 HA2 GLY 40 1HA GLY 40 -10.944 -0.596 2.701 319 HA3 GLY 40 2HA GLY 40 -11.156 0.061 1.084 320 H LEU 41 H LEU 41 -8.796 -1.355 0.045 321 HA LEU 41 HA LEU 41 -10.080 -3.699 -0.847 322 HB2 LEU 41 1HB LEU 41 -8.467 -2.745 -2.267 323 HB3 LEU 41 2HB LEU 41 -7.247 -2.719 -0.996 324 HG LEU 41 HG LEU 41 -7.558 -5.351 -1.167 325 HD11 LEU 41 1HD1 LEU 41 -9.331 -5.218 -2.851 326 HD12 LEU 41 2HD1 LEU 41 -7.904 -6.050 -3.469 327 HD13 LEU 41 3HD1 LEU 41 -8.227 -4.383 -3.943 328 HD21 LEU 41 1HD2 LEU 41 -5.815 -3.399 -2.504 329 HD22 LEU 41 2HD2 LEU 41 -5.818 -5.014 -3.215 330 HD23 LEU 41 3HD2 LEU 41 -5.406 -4.799 -1.513 331 H LEU 42 H LEU 42 -7.802 -3.081 1.747 332 HA LEU 42 HA LEU 42 -7.588 -5.929 2.345 333 HB2 LEU 42 1HB LEU 42 -6.273 -3.517 3.582 334 HB3 LEU 42 2HB LEU 42 -5.994 -5.179 4.095 335 HG LEU 42 HG LEU 42 -5.374 -4.136 1.335 336 HD11 LEU 42 1HD1 LEU 42 -3.653 -4.385 3.786 337 HD12 LEU 42 2HD1 LEU 42 -3.925 -2.963 2.779 338 HD13 LEU 42 3HD1 LEU 42 -2.990 -4.321 2.153 339 HD21 LEU 42 1HD2 LEU 42 -3.805 -6.338 1.905 340 HD22 LEU 42 2HD2 LEU 42 -5.238 -6.313 0.876 341 HD23 LEU 42 3HD2 LEU 42 -5.380 -6.760 2.577 342 H SER 43 H SER 43 -9.176 -3.055 3.456 343 HA SER 43 HA SER 43 -9.761 -3.640 6.085 344 HB2 SER 43 1HB SER 43 -10.483 -1.536 5.388 345 HB3 SER 43 2HB SER 43 -11.266 -2.173 3.942 346 HG SER 43 HG SER 43 -12.143 -2.419 6.629 347 H ARG 44 H ARG 44 -11.302 -4.864 3.161 348 HA ARG 44 HA ARG 44 -13.272 -6.361 4.665 349 HB2 ARG 44 1HB ARG 44 -12.641 -6.201 1.716 350 HB3 ARG 44 2HB ARG 44 -13.903 -7.230 2.382 351 HG2 ARG 44 1HG ARG 44 -13.844 -4.275 2.891 352 HG3 ARG 44 2HG ARG 44 -14.591 -4.964 1.448 353 HD2 ARG 44 1HD ARG 44 -15.805 -6.500 3.193 354 HD3 ARG 44 2HD ARG 44 -15.406 -5.193 4.308 355 HE ARG 44 HE ARG 44 -17.064 -3.957 3.354 356 HH11 ARG 44 2HH1 ARG 44 -16.118 -6.452 1.118 357 HH12 ARG 44 1HH1 ARG 44 -17.355 -6.070 -0.034 358 HH21 ARG 44 2HH2 ARG 44 -18.697 -3.445 1.845 359 HH22 ARG 44 1HH2 ARG 44 -18.820 -4.359 0.380 360 H LEU 45 H LEU 45 -10.070 -6.797 3.824 361 HA LEU 45 HA LEU 45 -10.237 -9.687 3.516 362 HB2 LEU 45 1HB LEU 45 -7.972 -7.717 3.409 363 HB3 LEU 45 2HB LEU 45 -7.704 -9.459 3.400 364 HG LEU 45 HG LEU 45 -9.369 -8.032 1.334 365 HD11 LEU 45 1HD1 LEU 45 -6.476 -8.184 1.641 366 HD12 LEU 45 2HD1 LEU 45 -7.455 -7.164 0.587 367 HD13 LEU 45 3HD1 LEU 45 -7.050 -8.809 0.094 368 HD21 LEU 45 1HD2 LEU 45 -9.081 -10.728 1.974 369 HD22 LEU 45 2HD2 LEU 45 -8.057 -10.483 0.560 370 HD23 LEU 45 3HD2 LEU 45 -9.767 -10.052 0.496 371 H LEU 46 H LEU 46 -8.598 -7.383 5.689 372 HA LEU 46 HA LEU 46 -8.175 -9.511 7.634 373 HB2 LEU 46 1HB LEU 46 -7.293 -6.634 7.535 374 HB3 LEU 46 2HB LEU 46 -6.965 -7.707 8.894 375 HG LEU 46 HG LEU 46 -6.053 -8.402 6.122 376 HD11 LEU 46 1HD1 LEU 46 -4.922 -6.386 7.992 377 HD12 LEU 46 2HD1 LEU 46 -4.957 -6.401 6.229 378 HD13 LEU 46 3HD1 LEU 46 -3.812 -7.424 7.096 379 HD21 LEU 46 1HD2 LEU 46 -5.543 -9.318 8.896 380 HD22 LEU 46 2HD2 LEU 46 -4.189 -9.348 7.765 381 HD23 LEU 46 3HD2 LEU 46 -5.665 -10.243 7.399 382 H LYS 47 H LYS 47 -10.739 -7.773 6.884 383 HA LYS 47 HA LYS 47 -12.614 -7.061 7.957 384 HB2 LYS 47 1HB LYS 47 -11.628 -8.614 10.346 385 HB3 LYS 47 2HB LYS 47 -13.292 -8.263 9.897 386 HG2 LYS 47 1HG LYS 47 -11.387 -10.185 8.598 387 HG3 LYS 47 2HG LYS 47 -12.931 -10.530 9.381 388 HD2 LYS 47 1HD LYS 47 -13.850 -8.900 7.525 389 HD3 LYS 47 2HD LYS 47 -12.373 -9.382 6.687 390 HE2 LYS 47 1HE LYS 47 -14.044 -10.887 5.972 391 HE3 LYS 47 2HE LYS 47 -13.060 -11.776 7.133 392 HZ1 LYS 47 1HZ LYS 47 -14.738 -11.290 8.831 393 HZ2 LYS 47 2HZ LYS 47 -15.385 -12.173 7.542 394 HZ3 LYS 47 3HZ LYS 47 -15.695 -10.515 7.670 395 H VAL 48 H VAL 48 -10.414 -5.316 8.055 396 HA VAL 48 HA VAL 48 -10.808 -4.037 10.683 397 HB VAL 48 HB VAL 48 -8.375 -3.712 8.927 398 HG11 VAL 48 1HG1 VAL 48 -8.963 -1.866 10.507 399 HG12 VAL 48 2HG1 VAL 48 -8.766 -3.015 11.832 400 HG13 VAL 48 3HG1 VAL 48 -7.392 -2.609 10.803 401 HG21 VAL 48 1HG2 VAL 48 -9.007 -5.691 11.057 402 HG22 VAL 48 2HG2 VAL 48 -8.070 -5.887 9.577 403 HG23 VAL 48 3HG2 VAL 48 -7.366 -5.051 10.961 404 HA PRO 49 HA PRO 49 -12.599 -0.686 8.433 405 HB2 PRO 49 1HB PRO 49 -12.470 1.189 10.392 406 HB3 PRO 49 2HB PRO 49 -13.643 -0.133 10.404 407 HG2 PRO 49 1HG PRO 49 -11.042 0.106 11.866 408 HG3 PRO 49 2HG PRO 49 -12.604 -0.493 12.453 409 HD2 PRO 49 1HD PRO 49 -10.599 -2.149 11.698 410 HD3 PRO 49 2HD PRO 49 -12.312 -2.567 11.491 411 H VAL 50 H VAL 50 -11.768 0.726 7.025 412 HA VAL 50 HA VAL 50 -9.097 1.221 6.655 413 HB VAL 50 HB VAL 50 -11.477 2.895 5.875 414 HG11 VAL 50 1HG1 VAL 50 -9.666 4.438 5.957 415 HG12 VAL 50 2HG1 VAL 50 -8.575 3.292 5.175 416 HG13 VAL 50 3HG1 VAL 50 -9.907 4.005 4.264 417 HG21 VAL 50 1HG2 VAL 50 -9.822 1.584 3.841 418 HG22 VAL 50 2HG2 VAL 50 -10.636 0.477 4.947 419 HG23 VAL 50 3HG2 VAL 50 -11.576 1.641 4.013 420 H SER 51 H SER 51 -11.217 2.671 8.950 421 HA SER 51 HA SER 51 -9.765 5.072 9.398 422 HB2 SER 51 1HB SER 51 -11.144 5.351 11.347 423 HB3 SER 51 2HB SER 51 -12.155 4.662 10.078 424 HG SER 51 HG SER 51 -11.756 3.707 12.489 425 H GLU 52 H GLU 52 -9.726 1.877 10.920 426 HA GLU 52 HA GLU 52 -7.666 2.652 12.794 427 HB2 GLU 52 1HB GLU 52 -9.026 0.029 12.189 428 HB3 GLU 52 2HB GLU 52 -7.713 0.169 13.349 429 HG2 GLU 52 1HG GLU 52 -9.199 2.022 14.403 430 HG3 GLU 52 2HG GLU 52 -10.493 1.234 13.501 431 H LEU 53 H LEU 53 -7.842 1.333 9.628 432 HA LEU 53 HA LEU 53 -5.368 -0.053 9.589 433 HB2 LEU 53 1HB LEU 53 -7.272 0.974 7.547 434 HB3 LEU 53 2HB LEU 53 -5.649 0.525 7.025 435 HG LEU 53 HG LEU 53 -7.494 -1.347 8.499 436 HD11 LEU 53 1HD1 LEU 53 -7.070 -1.909 5.689 437 HD12 LEU 53 2HD1 LEU 53 -7.904 -0.376 5.943 438 HD13 LEU 53 3HD1 LEU 53 -8.567 -1.863 6.621 439 HD21 LEU 53 1HD2 LEU 53 -5.976 -3.054 7.576 440 HD22 LEU 53 2HD2 LEU 53 -5.151 -1.929 8.655 441 HD23 LEU 53 3HD2 LEU 53 -4.967 -1.771 6.907 442 H LEU 54 H LEU 54 -3.345 0.669 9.399 443 HA LEU 54 HA LEU 54 -2.935 3.479 8.614 444 HB2 LEU 54 1HB LEU 54 -1.383 1.926 10.680 445 HB3 LEU 54 2HB LEU 54 -1.074 3.590 10.187 446 HG LEU 54 HG LEU 54 -3.622 2.683 11.518 447 HD11 LEU 54 1HD1 LEU 54 -1.639 2.346 12.966 448 HD12 LEU 54 2HD1 LEU 54 -2.756 3.567 13.575 449 HD13 LEU 54 3HD1 LEU 54 -1.258 4.058 12.783 450 HD21 LEU 54 1HD2 LEU 54 -3.292 5.333 12.032 451 HD22 LEU 54 2HD2 LEU 54 -4.275 4.677 10.723 452 HD23 LEU 54 3HD2 LEU 54 -2.622 5.205 10.405 453 H LEU 55 H LEU 55 -2.185 3.290 6.581 454 HA LEU 55 HA LEU 55 -0.263 1.215 5.906 455 HB2 LEU 55 1HB LEU 55 -1.996 3.088 4.425 456 HB3 LEU 55 2HB LEU 55 -0.461 2.685 3.658 457 HG LEU 55 HG LEU 55 -1.037 0.362 3.578 458 HD11 LEU 55 1HD1 LEU 55 -3.233 1.190 5.413 459 HD12 LEU 55 2HD1 LEU 55 -2.153 -0.200 5.501 460 HD13 LEU 55 3HD1 LEU 55 -3.479 -0.188 4.339 461 HD21 LEU 55 1HD2 LEU 55 -2.094 0.864 1.693 462 HD22 LEU 55 2HD2 LEU 55 -2.625 2.413 2.350 463 HD23 LEU 55 3HD2 LEU 55 -3.598 0.964 2.609 464 H SER 56 H SER 56 1.868 1.501 5.785 465 HA SER 56 HA SER 56 2.938 4.221 5.540 466 HB2 SER 56 1HB SER 56 4.751 3.308 7.245 467 HB3 SER 56 2HB SER 56 3.257 4.049 7.818 468 HG SER 56 HG SER 56 3.224 1.307 7.325 469 H TYR 57 H TYR 57 4.388 4.328 3.967 470 HA TYR 57 HA TYR 57 5.567 1.842 2.962 471 HB2 TYR 57 1HB TYR 57 5.697 2.824 0.886 472 HB3 TYR 57 2HB TYR 57 4.311 3.687 1.544 473 HD1 TYR 57 1HD TYR 57 4.933 5.913 2.846 474 HD2 TYR 57 2HD TYR 57 7.385 4.056 -0.094 475 HE1 TYR 57 1HE TYR 57 6.077 8.055 2.456 476 HE2 TYR 57 2HE TYR 57 8.537 6.193 -0.491 477 HH TYR 57 HH TYR 57 7.417 9.061 0.306 478 H GLU 58 H GLU 58 7.765 1.554 2.723 479 HA GLU 58 HA GLU 58 9.429 3.363 4.322 480 HB2 GLU 58 1HB GLU 58 9.324 0.887 4.839 481 HB3 GLU 58 2HB GLU 58 10.161 0.614 3.317 482 HG2 GLU 58 1HG GLU 58 11.891 2.302 4.300 483 HG3 GLU 58 2HG GLU 58 11.164 1.840 5.838 484 H SER 59 H SER 59 10.537 4.842 3.241 485 HA SER 59 HA SER 59 10.944 4.771 0.441 486 HB2 SER 59 1HB SER 59 12.349 6.778 0.814 487 HB3 SER 59 2HB SER 59 10.799 6.888 1.649 488 HG SER 59 HG SER 59 12.211 5.858 3.446 489 H SER 60 H SER 60 12.270 3.414 -0.556 490 HA SER 60 HA SER 60 14.231 1.835 0.497 491 HB2 SER 60 1HB SER 60 13.316 1.740 -1.850 492 HB3 SER 60 2HB SER 60 14.406 3.064 -2.261 493 HG SER 60 HG SER 60 15.343 0.678 -1.075 494 H LYS 61 H LYS 61 14.847 4.920 -1.188 495 HA LYS 61 HA LYS 61 17.521 5.188 -0.888 496 HB2 LYS 61 1HB LYS 61 15.505 7.386 -0.387 497 HB3 LYS 61 2HB LYS 61 17.198 7.621 -0.803 498 HG2 LYS 61 1HG LYS 61 16.888 6.834 -2.987 499 HG3 LYS 61 2HG LYS 61 15.326 6.111 -2.595 500 HD2 LYS 61 1HD LYS 61 14.879 8.094 -3.826 501 HD3 LYS 61 2HD LYS 61 14.483 8.440 -2.141 502 HE2 LYS 61 1HE LYS 61 16.708 9.494 -1.882 503 HE3 LYS 61 2HE LYS 61 17.005 9.225 -3.598 504 HZ1 LYS 61 1HZ LYS 61 15.103 11.073 -2.318 505 HZ2 LYS 61 2HZ LYS 61 14.815 10.521 -3.891 506 HZ3 LYS 61 3HZ LYS 61 16.230 11.380 -3.542 507 H MET 62 H MET 62 15.097 5.812 1.615 508 HA MET 62 HA MET 62 17.286 5.974 3.581 509 HB2 MET 62 1HB MET 62 15.608 7.975 3.132 510 HB3 MET 62 2HB MET 62 14.570 7.043 4.203 511 HG2 MET 62 1HG MET 62 15.728 8.640 5.520 512 HG3 MET 62 2HG MET 62 16.406 7.054 5.881 513 HE1 MET 62 1HE MET 62 18.480 10.704 4.220 514 HE2 MET 62 2HE MET 62 16.739 10.423 4.250 515 HE3 MET 62 3HE MET 62 17.638 10.553 5.762 516 HA PRO 63 HA PRO 63 15.038 2.078 4.529 517 HB2 PRO 63 1HB PRO 63 17.255 0.762 5.380 518 HB3 PRO 63 2HB PRO 63 16.792 0.862 3.677 519 HG2 PRO 63 1HG PRO 63 18.813 2.472 5.188 520 HG3 PRO 63 2HG PRO 63 18.934 1.760 3.568 521 HD2 PRO 63 1HD PRO 63 18.383 4.381 3.971 522 HD3 PRO 63 2HD PRO 63 17.736 3.470 2.591 523 H GLY 64 H GLY 64 14.706 1.004 6.566 524 HA2 GLY 64 1HA GLY 64 14.558 0.871 8.862 525 HA3 GLY 64 2HA GLY 64 15.979 1.901 8.959 526 H ARG 65 H ARG 65 13.328 3.078 7.116 527 HA ARG 65 HA ARG 65 12.186 4.543 9.356 528 HB2 ARG 65 1HB ARG 65 14.176 5.837 8.363 529 HB3 ARG 65 2HB ARG 65 13.148 6.086 6.958 530 HG2 ARG 65 1HG ARG 65 11.470 7.156 8.422 531 HG3 ARG 65 2HG ARG 65 12.587 6.981 9.777 532 HD2 ARG 65 1HD ARG 65 14.232 8.354 8.596 533 HD3 ARG 65 2HD ARG 65 13.117 8.524 7.240 534 HE ARG 65 HE ARG 65 11.880 9.395 9.623 535 HH11 ARG 65 2HH1 ARG 65 14.323 10.328 7.324 536 HH12 ARG 65 1HH1 ARG 65 14.124 12.026 7.605 537 HH21 ARG 65 2HH2 ARG 65 11.609 11.628 10.002 538 HH22 ARG 65 1HH2 ARG 65 12.581 12.764 9.129 539 H GLU 66 H GLU 66 10.057 4.445 9.150 540 HA GLU 66 HA GLU 66 8.914 4.146 6.455 541 HB2 GLU 66 1HB GLU 66 6.973 3.129 7.551 542 HB3 GLU 66 2HB GLU 66 8.454 2.272 7.955 543 HG2 GLU 66 1HG GLU 66 7.026 2.508 9.898 544 HG3 GLU 66 2HG GLU 66 8.533 3.397 10.112 545 H ILE 67 H ILE 67 6.923 5.237 5.972 546 HA ILE 67 HA ILE 67 6.547 7.700 7.550 547 HB ILE 67 HB ILE 67 6.205 7.350 4.569 548 HG12 ILE 67 1HG1 ILE 67 8.045 9.255 4.756 549 HG13 ILE 67 2HG1 ILE 67 8.374 8.462 6.293 550 HG21 ILE 67 1HG2 ILE 67 5.135 9.310 4.477 551 HG22 ILE 67 2HG2 ILE 67 4.855 9.089 6.204 552 HG23 ILE 67 3HG2 ILE 67 6.220 10.057 5.649 553 HD11 ILE 67 1HD1 ILE 67 9.525 6.878 5.273 554 HD12 ILE 67 2HD1 ILE 67 8.159 6.502 4.221 555 HD13 ILE 67 3HD1 ILE 67 9.312 7.753 3.756 556 H GLU 68 H GLU 68 4.665 7.728 8.570 557 HA GLU 68 HA GLU 68 2.534 5.946 7.915 558 HB2 GLU 68 1HB GLU 68 2.538 8.313 9.796 559 HB3 GLU 68 2HB GLU 68 1.328 7.040 9.742 560 HG2 GLU 68 1HG GLU 68 3.050 5.402 10.366 561 HG3 GLU 68 2HG GLU 68 4.228 6.709 10.476 562 H LEU 69 H LEU 69 1.142 6.223 6.313 563 HA LEU 69 HA LEU 69 0.763 8.818 5.099 564 HB2 LEU 69 1HB LEU 69 -0.652 6.247 4.436 565 HB3 LEU 69 2HB LEU 69 -0.485 7.675 3.417 566 HG LEU 69 HG LEU 69 1.961 6.187 4.268 567 HD11 LEU 69 1HD1 LEU 69 0.408 4.473 3.443 568 HD12 LEU 69 2HD1 LEU 69 1.775 4.713 2.356 569 HD13 LEU 69 3HD1 LEU 69 0.199 5.395 1.953 570 HD21 LEU 69 1HD2 LEU 69 2.962 7.256 2.520 571 HD22 LEU 69 2HD2 LEU 69 1.716 8.442 2.908 572 HD23 LEU 69 3HD2 LEU 69 1.481 7.323 1.565 573 H GLU 70 H GLU 70 -0.371 10.094 6.516 574 HA GLU 70 HA GLU 70 -2.773 9.157 7.797 575 HB2 GLU 70 1HB GLU 70 -2.964 11.510 8.585 576 HB3 GLU 70 2HB GLU 70 -1.420 10.764 8.973 577 HG2 GLU 70 1HG GLU 70 -0.302 11.977 7.279 578 HG3 GLU 70 2HG GLU 70 -1.822 12.524 6.574 579 H ASN 71 H ASN 71 -1.949 11.084 4.984 580 HA ASN 71 HA ASN 71 -4.573 12.052 4.477 581 HB2 ASN 71 1HB ASN 71 -2.097 11.808 2.774 582 HB3 ASN 71 2HB ASN 71 -3.611 12.441 2.134 583 HD21 ASN 71 1HD2 ASN 71 -4.421 14.397 2.944 584 HD22 ASN 71 2HD2 ASN 71 -3.399 15.523 3.765 585 H ASP 72 H ASP 72 -6.270 10.948 3.784 586 HA ASP 72 HA ASP 72 -5.848 8.341 2.510 587 HB2 ASP 72 1HB ASP 72 -8.488 8.357 2.916 588 HB3 ASP 72 2HB ASP 72 -7.347 7.905 4.180 589 H LEU 73 H LEU 73 -7.160 11.517 1.952 590 HA LEU 73 HA LEU 73 -8.502 10.776 -0.494 591 HB2 LEU 73 1HB LEU 73 -7.901 13.467 0.723 592 HB3 LEU 73 2HB LEU 73 -8.869 13.216 -0.728 593 HG LEU 73 HG LEU 73 -9.580 12.165 2.009 594 HD11 LEU 73 1HD1 LEU 73 -9.842 14.793 0.883 595 HD12 LEU 73 2HD1 LEU 73 -10.278 14.213 2.490 596 HD13 LEU 73 3HD1 LEU 73 -11.432 14.084 1.163 597 HD21 LEU 73 1HD2 LEU 73 -10.748 10.787 0.619 598 HD22 LEU 73 2HD2 LEU 73 -10.789 11.961 -0.697 599 HD23 LEU 73 3HD2 LEU 73 -11.871 12.145 0.685 600 H GLN 74 H GLN 74 -5.334 11.200 0.322 601 HA GLN 74 HA GLN 74 -4.579 12.357 -2.264 602 HB2 GLN 74 1HB GLN 74 -3.014 11.893 0.274 603 HB3 GLN 74 2HB GLN 74 -2.272 12.420 -1.231 604 HG2 GLN 74 1HG GLN 74 -4.532 13.933 0.026 605 HG3 GLN 74 2HG GLN 74 -2.854 14.197 0.498 606 HE21 GLN 74 1HE2 GLN 74 -3.492 16.392 -0.283 607 HE22 GLN 74 2HE2 GLN 74 -3.239 16.741 -1.956 608 HA PRO 75 HA PRO 75 -3.489 8.407 -3.876 609 HB2 PRO 75 1HB PRO 75 -1.762 9.210 -5.811 610 HB3 PRO 75 2HB PRO 75 -3.513 9.414 -5.941 611 HG2 PRO 75 1HG PRO 75 -1.428 11.407 -5.138 612 HG3 PRO 75 2HG PRO 75 -2.827 11.620 -6.207 613 HD2 PRO 75 1HD PRO 75 -2.826 12.444 -3.628 614 HD3 PRO 75 2HD PRO 75 -4.293 11.871 -4.447 615 H LEU 76 H LEU 76 -1.381 7.243 -4.614 616 HA LEU 76 HA LEU 76 0.385 7.224 -2.356 617 HB2 LEU 76 1HB LEU 76 0.267 5.666 -4.920 618 HB3 LEU 76 2HB LEU 76 1.584 5.465 -3.766 619 HG LEU 76 HG LEU 76 -0.080 3.710 -3.513 620 HD11 LEU 76 1HD1 LEU 76 -0.155 5.648 -1.206 621 HD12 LEU 76 2HD1 LEU 76 1.149 4.510 -1.541 622 HD13 LEU 76 3HD1 LEU 76 -0.458 3.912 -1.131 623 HD21 LEU 76 1HD2 LEU 76 -2.338 4.101 -2.981 624 HD22 LEU 76 2HD2 LEU 76 -1.982 5.187 -4.324 625 HD23 LEU 76 3HD2 LEU 76 -2.056 5.815 -2.677 626 H GLN 77 H GLN 77 0.538 8.352 -5.675 627 HA GLN 77 HA GLN 77 3.304 8.778 -5.854 628 HB2 GLN 77 1HB GLN 77 2.064 8.863 -7.865 629 HB3 GLN 77 2HB GLN 77 0.951 10.063 -7.223 630 HG2 GLN 77 1HG GLN 77 2.772 11.712 -7.201 631 HG3 GLN 77 2HG GLN 77 3.849 10.506 -7.903 632 HE21 GLN 77 1HE2 GLN 77 0.726 12.078 -8.470 633 HE22 GLN 77 2HE2 GLN 77 0.882 12.159 -10.189 634 H PHE 78 H PHE 78 0.800 10.551 -4.247 635 HA PHE 78 HA PHE 78 2.021 13.069 -4.061 636 HB2 PHE 78 1HB PHE 78 -0.304 12.799 -3.477 637 HB3 PHE 78 2HB PHE 78 0.104 11.670 -2.190 638 HD1 PHE 78 1HD PHE 78 1.165 12.473 -0.127 639 HD2 PHE 78 2HD PHE 78 -0.140 15.154 -3.165 640 HE1 PHE 78 1HE PHE 78 1.287 14.339 1.472 641 HE2 PHE 78 2HE PHE 78 -0.019 17.024 -1.571 642 HZ PHE 78 HZ PHE 78 0.696 16.619 0.751 643 H TYR 79 H TYR 79 2.523 10.105 -2.292 644 HA TYR 79 HA TYR 79 4.284 11.447 -0.381 645 HB2 TYR 79 1HB TYR 79 3.099 8.684 -0.523 646 HB3 TYR 79 2HB TYR 79 4.419 9.058 0.578 647 HD1 TYR 79 1HD TYR 79 0.882 9.661 -0.193 648 HD2 TYR 79 2HD TYR 79 4.061 10.446 2.524 649 HE1 TYR 79 1HE TYR 79 -0.740 10.511 1.450 650 HE2 TYR 79 2HE TYR 79 2.448 11.296 4.175 651 HH TYR 79 HH TYR 79 -0.092 10.907 4.636 652 H SER 80 H SER 80 4.914 11.060 -3.267 653 HA SER 80 HA SER 80 6.668 10.473 -4.594 654 HB2 SER 80 1HB SER 80 7.907 10.773 -1.885 655 HB3 SER 80 2HB SER 80 8.892 10.166 -3.216 656 HG SER 80 HG SER 80 7.589 12.661 -2.977 657 H VAL 81 H VAL 81 4.978 8.365 -3.933 658 HA VAL 81 HA VAL 81 6.661 6.085 -3.264 659 HB VAL 81 HB VAL 81 3.712 6.240 -3.901 660 HG11 VAL 81 1HG1 VAL 81 4.135 3.870 -2.592 661 HG12 VAL 81 2HG1 VAL 81 3.915 4.053 -4.334 662 HG13 VAL 81 3HG1 VAL 81 5.540 3.977 -3.652 663 HG21 VAL 81 1HG2 VAL 81 3.382 6.711 -1.755 664 HG22 VAL 81 2HG2 VAL 81 4.378 5.344 -1.253 665 HG23 VAL 81 3HG2 VAL 81 5.126 6.908 -1.575 666 H GLU 82 H GLU 82 7.486 4.688 -4.697 667 HA GLU 82 HA GLU 82 6.495 4.760 -7.464 668 HB2 GLU 82 1HB GLU 82 9.000 4.335 -8.062 669 HB3 GLU 82 2HB GLU 82 8.440 5.974 -7.761 670 HG2 GLU 82 1HG GLU 82 10.296 6.014 -6.478 671 HG3 GLU 82 2HG GLU 82 9.176 5.357 -5.287 672 H ASN 83 H ASN 83 7.930 2.865 -8.651 673 HA ASN 83 HA ASN 83 6.891 0.459 -7.533 674 HB2 ASN 83 1HB ASN 83 7.555 -0.579 -9.507 675 HB3 ASN 83 2HB ASN 83 7.321 1.087 -10.027 676 HD21 ASN 83 1HD2 ASN 83 9.390 2.454 -9.696 677 HD22 ASN 83 2HD2 ASN 83 10.843 1.733 -10.292 678 H GLY 84 H GLY 84 7.914 -1.213 -6.509 679 HA2 GLY 84 1HA GLY 84 9.886 -2.423 -5.861 680 HA3 GLY 84 2HA GLY 84 10.796 -0.924 -5.982 681 H ASP 85 H ASP 85 8.946 0.708 -4.536 682 HA ASP 85 HA ASP 85 9.903 0.542 -1.973 683 HB2 ASP 85 1HB ASP 85 8.829 2.542 -2.393 684 HB3 ASP 85 2HB ASP 85 7.452 1.762 -3.166 685 H CYS 86 H CYS 86 8.779 0.006 0.055 686 HA CYS 86 HA CYS 86 7.320 -2.528 -0.233 687 HB2 CYS 86 1HB CYS 86 8.963 -1.422 2.050 688 HB3 CYS 86 2HB CYS 86 8.017 -2.902 2.156 689 HG CYS 86 HG CYS 86 10.475 -3.907 1.810 690 H LEU 87 H LEU 87 5.376 -2.868 0.765 691 HA LEU 87 HA LEU 87 4.077 -0.475 1.870 692 HB2 LEU 87 1HB LEU 87 2.999 -2.926 0.508 693 HB3 LEU 87 2HB LEU 87 1.962 -1.816 1.403 694 HG LEU 87 HG LEU 87 3.641 -1.056 -0.987 695 HD11 LEU 87 1HD1 LEU 87 0.824 -1.997 -0.713 696 HD12 LEU 87 2HD1 LEU 87 2.024 -2.376 -1.948 697 HD13 LEU 87 3HD1 LEU 87 1.227 -0.803 -1.947 698 HD21 LEU 87 1HD2 LEU 87 1.485 0.447 0.494 699 HD22 LEU 87 2HD2 LEU 87 2.341 1.003 -0.945 700 HD23 LEU 87 3HD2 LEU 87 3.214 0.784 0.572 701 H LEU 88 H LEU 88 3.692 -0.405 3.976 702 HA LEU 88 HA LEU 88 3.628 -2.939 5.477 703 HB2 LEU 88 1HB LEU 88 4.280 -0.194 6.534 704 HB3 LEU 88 2HB LEU 88 4.412 -1.724 7.400 705 HG LEU 88 HG LEU 88 6.047 -1.205 4.941 706 HD11 LEU 88 1HD1 LEU 88 6.299 0.655 6.655 707 HD12 LEU 88 2HD1 LEU 88 7.767 -0.199 6.182 708 HD13 LEU 88 3HD1 LEU 88 6.989 -0.569 7.721 709 HD21 LEU 88 1HD2 LEU 88 6.095 -3.461 5.633 710 HD22 LEU 88 2HD2 LEU 88 6.247 -3.017 7.333 711 HD23 LEU 88 3HD2 LEU 88 7.594 -2.744 6.226 712 H VAL 89 H VAL 89 1.642 -3.516 6.035 713 HA VAL 89 HA VAL 89 -0.377 -1.437 6.507 714 HB VAL 89 HB VAL 89 -0.718 -4.400 6.021 715 HG11 VAL 89 1HG1 VAL 89 -2.445 -2.619 7.328 716 HG12 VAL 89 2HG1 VAL 89 -3.109 -2.842 5.708 717 HG13 VAL 89 3HG1 VAL 89 -2.813 -4.240 6.742 718 HG21 VAL 89 1HG2 VAL 89 -1.878 -2.427 4.174 719 HG22 VAL 89 2HG2 VAL 89 -0.116 -2.509 4.180 720 HG23 VAL 89 3HG2 VAL 89 -1.065 -3.956 3.840 721 H ARG 90 H ARG 90 -0.099 -0.825 8.604 722 HA ARG 90 HA ARG 90 -0.329 -2.944 10.640 723 HB2 ARG 90 1HB ARG 90 1.815 -1.978 10.917 724 HB3 ARG 90 2HB ARG 90 1.197 -0.349 10.680 725 HG2 ARG 90 1HG ARG 90 0.201 -1.942 12.988 726 HG3 ARG 90 2HG ARG 90 1.811 -1.225 13.066 727 HD2 ARG 90 1HD ARG 90 0.499 0.911 12.216 728 HD3 ARG 90 2HD ARG 90 -0.857 0.083 12.980 729 HE ARG 90 HE ARG 90 1.305 1.406 14.292 730 HH11 ARG 90 2HH1 ARG 90 -0.962 -1.222 14.569 731 HH12 ARG 90 1HH1 ARG 90 -0.932 -1.237 16.301 732 HH21 ARG 90 2HH2 ARG 90 1.353 1.395 16.572 733 HH22 ARG 90 1HH2 ARG 90 0.384 0.252 17.440 734 H TRP 91 H TRP 91 -1.588 -2.482 12.503 735 HA TRP 91 HA TRP 91 -3.209 -0.078 12.530 736 HB2 TRP 91 1HB TRP 91 -5.339 -1.204 12.440 737 HB3 TRP 91 2HB TRP 91 -4.414 -1.655 11.011 738 HD1 TRP 91 HD TRP 91 -5.588 -3.108 14.378 739 HE1 TRP 91 1HE TRP 91 -5.570 -5.676 14.200 740 HE3 TRP 91 3HE TRP 91 -3.431 -3.586 9.768 741 HZ2 TRP 91 2HZ TRP 91 -4.748 -7.643 12.350 742 HZ3 TRP 91 3HZ TRP 91 -3.063 -5.846 8.867 743 HH2 TRP 91 HH TRP 91 -3.708 -7.831 10.133 744 H SER 92 H SER 92 -4.242 0.298 14.523 745 HA SER 92 HA SER 92 -3.016 -1.135 16.740 746 HB2 SER 92 1HB SER 92 -2.961 1.305 16.798 747 HB3 SER 92 2HB SER 92 -4.720 1.368 16.690 748 HG SER 92 HG SER 92 -4.039 1.587 18.842 749 H GLY 93 H GLY 93 -4.174 -2.093 18.434 750 HA2 GLY 93 1HA GLY 93 -7.059 -2.472 17.996 751 HA3 GLY 93 2HA GLY 93 -6.022 -3.880 18.171 752 HA PRO 94 HA PRO 94 -6.428 -3.759 22.529 753 HB2 PRO 94 1HB PRO 94 -3.938 -4.415 23.390 754 HB3 PRO 94 2HB PRO 94 -5.028 -5.578 22.627 755 HG2 PRO 94 1HG PRO 94 -2.747 -4.053 21.431 756 HG3 PRO 94 2HG PRO 94 -3.191 -5.756 21.213 757 HD2 PRO 94 1HD PRO 94 -3.795 -3.848 19.389 758 HD3 PRO 94 2HD PRO 94 -4.832 -5.261 19.671 759 H SER 95 H SER 95 -6.085 -2.512 24.374 760 HA SER 95 HA SER 95 -5.398 0.161 24.019 761 HB2 SER 95 1HB SER 95 -5.541 0.368 26.443 762 HB3 SER 95 2HB SER 95 -6.825 -0.692 25.862 763 HG SER 95 HG SER 95 -4.359 -1.503 27.014 764 H SER 96 H SER 96 -3.605 1.391 24.528 765 HA SER 96 HA SER 96 -1.169 -0.027 25.341 766 HB2 SER 96 1HB SER 96 0.140 0.925 23.573 767 HB3 SER 96 2HB SER 96 -1.273 0.181 22.824 768 HG SER 96 HG SER 96 -2.146 2.486 23.155 769 H GLY 97 H GLY 97 0.264 1.171 26.545 770 HA2 GLY 97 1HA GLY 97 1.071 3.480 27.065 771 HA3 GLY 97 2HA GLY 97 -0.626 3.907 27.221 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -6.056 0.543 -28.328 2 HA2 GLY 1 1HA GLY 1 -5.937 2.891 -27.375 3 HA3 GLY 1 2HA GLY 1 -7.686 2.763 -27.265 4 H SER 2 H SER 2 -8.551 1.022 -25.889 5 HA SER 2 HA SER 2 -8.753 0.133 -23.799 6 HB2 SER 2 1HB SER 2 -5.925 -0.719 -24.453 7 HB3 SER 2 2HB SER 2 -6.858 -1.344 -23.094 8 HG SER 2 HG SER 2 -7.068 -2.725 -24.862 9 H SER 3 H SER 3 -8.233 2.825 -23.717 10 HA SER 3 HA SER 3 -6.177 3.217 -21.672 11 HB2 SER 3 1HB SER 3 -6.541 4.738 -23.762 12 HB3 SER 3 2HB SER 3 -7.859 5.428 -22.815 13 HG SER 3 HG SER 3 -6.388 6.018 -21.241 14 H GLY 4 H GLY 4 -6.664 4.407 -19.725 15 HA2 GLY 4 1HA GLY 4 -9.424 4.755 -18.947 16 HA3 GLY 4 2HA GLY 4 -8.623 3.412 -18.143 17 H SER 5 H SER 5 -6.924 3.828 -16.690 18 HA SER 5 HA SER 5 -7.187 6.323 -15.299 19 HB2 SER 5 1HB SER 5 -5.701 5.366 -13.658 20 HB3 SER 5 2HB SER 5 -6.832 4.111 -14.165 21 HG SER 5 HG SER 5 -4.952 3.738 -15.794 22 H SER 6 H SER 6 -5.151 7.485 -14.557 23 HA SER 6 HA SER 6 -3.495 8.005 -16.926 24 HB2 SER 6 1HB SER 6 -2.984 10.178 -15.819 25 HB3 SER 6 2HB SER 6 -4.707 9.950 -16.122 26 HG SER 6 HG SER 6 -4.721 10.544 -14.064 27 H GLY 7 H GLY 7 -3.281 7.543 -13.413 28 HA2 GLY 7 1HA GLY 7 -0.444 7.643 -13.299 29 HA3 GLY 7 2HA GLY 7 -1.506 6.992 -12.060 30 H GLN 8 H GLN 8 1.014 5.908 -12.824 31 HA GLN 8 HA GLN 8 0.356 3.504 -14.343 32 HB2 GLN 8 1HB GLN 8 2.740 3.053 -14.340 33 HB3 GLN 8 2HB GLN 8 2.448 4.709 -14.856 34 HG2 GLN 8 1HG GLN 8 3.237 5.600 -12.848 35 HG3 GLN 8 2HG GLN 8 3.110 4.054 -12.010 36 HE21 GLN 8 1HE2 GLN 8 4.963 3.089 -11.656 37 HE22 GLN 8 2HE2 GLN 8 6.393 3.232 -12.615 38 H LEU 9 H LEU 9 0.927 1.387 -13.519 39 HA LEU 9 HA LEU 9 0.133 1.090 -10.759 40 HB2 LEU 9 1HB LEU 9 0.527 -0.707 -13.087 41 HB3 LEU 9 2HB LEU 9 0.658 -1.417 -11.479 42 HG LEU 9 HG LEU 9 -1.681 -0.136 -11.200 43 HD11 LEU 9 1HD1 LEU 9 -1.222 -0.418 -14.108 44 HD12 LEU 9 2HD1 LEU 9 -2.193 0.754 -13.217 45 HD13 LEU 9 3HD1 LEU 9 -2.814 -0.872 -13.499 46 HD21 LEU 9 1HD2 LEU 9 -1.359 -2.831 -12.516 47 HD22 LEU 9 2HD2 LEU 9 -2.756 -2.269 -11.598 48 HD23 LEU 9 3HD2 LEU 9 -1.209 -2.518 -10.786 49 H LEU 10 H LEU 10 1.406 0.648 -9.063 50 HA LEU 10 HA LEU 10 4.285 0.355 -9.570 51 HB2 LEU 10 1HB LEU 10 3.221 0.928 -6.857 52 HB3 LEU 10 2HB LEU 10 4.714 1.469 -7.621 53 HG LEU 10 HG LEU 10 1.944 2.568 -8.088 54 HD11 LEU 10 1HD1 LEU 10 3.587 3.102 -6.021 55 HD12 LEU 10 2HD1 LEU 10 2.475 4.276 -6.722 56 HD13 LEU 10 3HD1 LEU 10 4.172 4.275 -7.201 57 HD21 LEU 10 1HD2 LEU 10 4.065 2.477 -9.894 58 HD22 LEU 10 2HD2 LEU 10 4.119 4.099 -9.204 59 HD23 LEU 10 3HD2 LEU 10 2.642 3.517 -9.972 60 H THR 11 H THR 11 5.441 -1.331 -8.752 61 HA THR 11 HA THR 11 3.877 -3.572 -7.703 62 HB THR 11 HB THR 11 6.662 -3.459 -8.869 63 HG1 THR 11 1HG THR 11 4.526 -5.002 -9.861 64 HG21 THR 11 1HG2 THR 11 5.307 -5.530 -7.268 65 HG22 THR 11 2HG2 THR 11 7.027 -5.258 -7.551 66 HG23 THR 11 3HG2 THR 11 6.056 -6.096 -8.761 67 H LEU 12 H LEU 12 3.661 -3.101 -5.536 68 HA LEU 12 HA LEU 12 6.159 -2.877 -3.991 69 HB2 LEU 12 1HB LEU 12 3.420 -2.128 -3.012 70 HB3 LEU 12 2HB LEU 12 4.981 -1.704 -2.312 71 HG LEU 12 HG LEU 12 4.184 -0.700 -5.024 72 HD11 LEU 12 1HD1 LEU 12 2.357 0.034 -3.747 73 HD12 LEU 12 2HD1 LEU 12 3.477 1.395 -3.770 74 HD13 LEU 12 3HD1 LEU 12 3.366 0.369 -2.340 75 HD21 LEU 12 1HD2 LEU 12 6.355 -0.289 -3.122 76 HD22 LEU 12 2HD2 LEU 12 5.630 1.216 -3.690 77 HD23 LEU 12 3HD2 LEU 12 6.279 0.055 -4.850 78 H LYS 13 H LYS 13 6.146 -3.915 -1.856 79 HA LYS 13 HA LYS 13 4.697 -6.471 -1.962 80 HB2 LYS 13 1HB LYS 13 7.343 -5.647 -0.829 81 HB3 LYS 13 2HB LYS 13 6.508 -7.036 -0.146 82 HG2 LYS 13 1HG LYS 13 6.432 -8.047 -2.402 83 HG3 LYS 13 2HG LYS 13 7.381 -6.687 -3.006 84 HD2 LYS 13 1HD LYS 13 9.269 -7.309 -1.764 85 HD3 LYS 13 2HD LYS 13 8.333 -8.369 -0.708 86 HE2 LYS 13 1HE LYS 13 7.976 -9.921 -2.533 87 HE3 LYS 13 2HE LYS 13 8.804 -8.838 -3.650 88 HZ1 LYS 13 1HZ LYS 13 10.710 -9.120 -1.876 89 HZ2 LYS 13 2HZ LYS 13 10.502 -10.229 -3.135 90 HZ3 LYS 13 3HZ LYS 13 9.915 -10.586 -1.589 91 H ILE 14 H ILE 14 3.164 -6.888 -0.512 92 HA ILE 14 HA ILE 14 2.706 -4.984 1.641 93 HB ILE 14 HB ILE 14 1.046 -7.276 0.596 94 HG12 ILE 14 1HG1 ILE 14 -0.497 -5.123 0.290 95 HG13 ILE 14 2HG1 ILE 14 1.067 -4.316 0.246 96 HG21 ILE 14 1HG2 ILE 14 -0.694 -6.038 2.150 97 HG22 ILE 14 2HG2 ILE 14 0.354 -7.312 2.771 98 HG23 ILE 14 3HG2 ILE 14 0.766 -5.620 3.048 99 HD11 ILE 14 1HD1 ILE 14 -0.220 -5.431 -1.889 100 HD12 ILE 14 2HD1 ILE 14 1.500 -5.047 -1.811 101 HD13 ILE 14 3HD1 ILE 14 0.943 -6.681 -1.447 102 H LYS 15 H LYS 15 3.521 -5.318 3.590 103 HA LYS 15 HA LYS 15 3.688 -8.071 4.607 104 HB2 LYS 15 1HB LYS 15 5.935 -7.558 3.991 105 HB3 LYS 15 2HB LYS 15 5.834 -5.952 4.701 106 HG2 LYS 15 1HG LYS 15 5.450 -7.201 6.923 107 HG3 LYS 15 2HG LYS 15 6.097 -8.601 6.063 108 HD2 LYS 15 1HD LYS 15 8.173 -7.533 5.691 109 HD3 LYS 15 2HD LYS 15 7.530 -5.957 6.160 110 HE2 LYS 15 1HE LYS 15 7.113 -7.029 8.451 111 HE3 LYS 15 2HE LYS 15 8.185 -8.316 7.899 112 HZ1 LYS 15 1HZ LYS 15 9.119 -5.561 7.617 113 HZ2 LYS 15 2HZ LYS 15 9.992 -6.967 7.965 114 HZ3 LYS 15 3HZ LYS 15 9.084 -6.214 9.178 115 H CYS 16 H CYS 16 2.111 -8.030 6.102 116 HA CYS 16 HA CYS 16 1.315 -5.806 7.606 117 HB2 CYS 16 1HB CYS 16 0.964 -8.770 8.023 118 HB3 CYS 16 2HB CYS 16 0.293 -7.588 9.140 119 HG CYS 16 HG CYS 16 -0.626 -8.252 5.940 120 H SER 17 H SER 17 2.122 -4.851 9.358 121 HA SER 17 HA SER 17 4.609 -5.751 10.461 122 HB2 SER 17 1HB SER 17 2.863 -3.531 11.533 123 HB3 SER 17 2HB SER 17 4.607 -3.720 11.718 124 HG SER 17 HG SER 17 4.713 -2.521 10.001 125 H ASN 18 H ASN 18 4.971 -6.893 12.261 126 HA ASN 18 HA ASN 18 4.632 -8.018 14.214 127 HB2 ASN 18 1HB ASN 18 3.553 -5.776 14.863 128 HB3 ASN 18 2HB ASN 18 2.012 -6.571 14.555 129 HD21 ASN 18 1HD2 ASN 18 2.919 -5.516 17.038 130 HD22 ASN 18 2HD2 ASN 18 3.013 -6.832 18.154 131 H GLN 19 H GLN 19 3.502 -8.832 11.581 132 HA GLN 19 HA GLN 19 1.619 -10.837 12.615 133 HB2 GLN 19 1HB GLN 19 1.342 -9.167 10.124 134 HB3 GLN 19 2HB GLN 19 0.492 -10.695 10.322 135 HG2 GLN 19 1HG GLN 19 0.248 -8.634 12.452 136 HG3 GLN 19 2HG GLN 19 -0.639 -8.416 10.944 137 HE21 GLN 19 1HE2 GLN 19 -2.675 -8.810 11.547 138 HE22 GLN 19 2HE2 GLN 19 -3.227 -10.280 12.268 139 HA PRO 20 HA PRO 20 5.159 -12.884 10.476 140 HB2 PRO 20 1HB PRO 20 5.360 -14.903 12.279 141 HB3 PRO 20 2HB PRO 20 6.153 -13.339 12.497 142 HG2 PRO 20 1HG PRO 20 3.593 -14.346 13.678 143 HG3 PRO 20 2HG PRO 20 4.902 -13.436 14.455 144 HD2 PRO 20 1HD PRO 20 2.606 -12.265 13.623 145 HD3 PRO 20 2HD PRO 20 4.167 -11.419 13.614 146 H GLU 21 H GLU 21 2.501 -14.596 12.139 147 HA GLU 21 HA GLU 21 2.383 -16.913 10.739 148 HB2 GLU 21 1HB GLU 21 0.013 -15.219 11.550 149 HB3 GLU 21 2HB GLU 21 -0.058 -16.925 11.132 150 HG2 GLU 21 1HG GLU 21 1.281 -17.508 13.033 151 HG3 GLU 21 2HG GLU 21 1.558 -15.809 13.409 152 H ARG 22 H ARG 22 1.491 -13.741 9.592 153 HA ARG 22 HA ARG 22 0.228 -14.735 7.193 154 HB2 ARG 22 1HB ARG 22 -0.449 -12.607 8.337 155 HB3 ARG 22 2HB ARG 22 1.084 -11.909 7.831 156 HG2 ARG 22 1HG ARG 22 0.488 -12.039 5.541 157 HG3 ARG 22 2HG ARG 22 -0.921 -13.039 5.899 158 HD2 ARG 22 1HD ARG 22 -0.688 -10.324 7.120 159 HD3 ARG 22 2HD ARG 22 -1.193 -10.479 5.437 160 HE ARG 22 HE ARG 22 -3.179 -11.464 6.138 161 HH11 ARG 22 2HH1 ARG 22 -1.048 -10.877 8.828 162 HH12 ARG 22 1HH1 ARG 22 -2.276 -11.129 10.024 163 HH21 ARG 22 2HH2 ARG 22 -4.804 -11.798 7.703 164 HH22 ARG 22 1HH2 ARG 22 -4.412 -11.654 9.383 165 H GLN 23 H GLN 23 1.023 -14.535 5.085 166 HA GLN 23 HA GLN 23 3.952 -14.414 4.927 167 HB2 GLN 23 1HB GLN 23 2.174 -15.457 2.745 168 HB3 GLN 23 2HB GLN 23 3.856 -15.846 3.077 169 HG2 GLN 23 1HG GLN 23 2.894 -16.832 5.290 170 HG3 GLN 23 2HG GLN 23 1.382 -16.865 4.384 171 HE21 GLN 23 1HE2 GLN 23 2.835 -19.111 5.382 172 HE22 GLN 23 2HE2 GLN 23 3.296 -20.070 4.021 173 H ILE 24 H ILE 24 4.993 -13.016 3.589 174 HA ILE 24 HA ILE 24 3.707 -10.631 2.838 175 HB ILE 24 HB ILE 24 6.340 -11.679 1.796 176 HG12 ILE 24 1HG1 ILE 24 5.928 -9.827 4.141 177 HG13 ILE 24 2HG1 ILE 24 6.050 -11.572 4.333 178 HG21 ILE 24 1HG2 ILE 24 5.669 -8.795 2.170 179 HG22 ILE 24 2HG2 ILE 24 6.828 -9.547 1.074 180 HG23 ILE 24 3HG2 ILE 24 5.101 -9.644 0.732 181 HD11 ILE 24 1HD1 ILE 24 8.125 -9.644 4.107 182 HD12 ILE 24 2HD1 ILE 24 8.247 -11.379 4.397 183 HD13 ILE 24 3HD1 ILE 24 8.232 -10.760 2.746 184 H LEU 25 H LEU 25 2.997 -9.846 0.891 185 HA LEU 25 HA LEU 25 3.000 -11.701 -1.391 186 HB2 LEU 25 1HB LEU 25 0.642 -9.948 -0.975 187 HB3 LEU 25 2HB LEU 25 0.752 -11.527 -1.750 188 HG LEU 25 HG LEU 25 1.028 -11.238 1.224 189 HD11 LEU 25 1HD1 LEU 25 -1.461 -11.939 1.175 190 HD12 LEU 25 2HD1 LEU 25 -1.465 -11.207 -0.429 191 HD13 LEU 25 3HD1 LEU 25 -1.044 -10.236 0.981 192 HD21 LEU 25 1HD2 LEU 25 0.893 -13.485 1.271 193 HD22 LEU 25 2HD2 LEU 25 1.433 -13.355 -0.402 194 HD23 LEU 25 3HD2 LEU 25 -0.283 -13.551 -0.042 195 H GLU 26 H GLU 26 2.002 -10.373 -3.375 196 HA GLU 26 HA GLU 26 3.128 -7.667 -3.394 197 HB2 GLU 26 1HB GLU 26 4.881 -9.093 -4.290 198 HB3 GLU 26 2HB GLU 26 3.749 -9.821 -5.420 199 HG2 GLU 26 1HG GLU 26 4.386 -6.888 -5.434 200 HG3 GLU 26 2HG GLU 26 5.317 -8.074 -6.349 201 H LYS 27 H LYS 27 1.698 -6.276 -4.169 202 HA LYS 27 HA LYS 27 -0.242 -7.209 -6.177 203 HB2 LYS 27 1HB LYS 27 -1.326 -7.018 -3.970 204 HB3 LYS 27 2HB LYS 27 -0.814 -5.338 -3.871 205 HG2 LYS 27 1HG LYS 27 -2.981 -5.112 -4.578 206 HG3 LYS 27 2HG LYS 27 -2.115 -5.101 -6.116 207 HD2 LYS 27 1HD LYS 27 -3.739 -6.628 -6.611 208 HD3 LYS 27 2HD LYS 27 -2.519 -7.714 -5.941 209 HE2 LYS 27 1HE LYS 27 -3.772 -7.116 -3.683 210 HE3 LYS 27 2HE LYS 27 -5.107 -6.809 -4.793 211 HZ1 LYS 27 1HZ LYS 27 -4.500 -9.111 -5.726 212 HZ2 LYS 27 2HZ LYS 27 -5.358 -9.029 -4.271 213 HZ3 LYS 27 3HZ LYS 27 -3.695 -9.339 -4.255 214 H GLN 28 H GLN 28 -0.616 -5.868 -7.872 215 HA GLN 28 HA GLN 28 1.012 -3.429 -7.985 216 HB2 GLN 28 1HB GLN 28 -0.104 -5.250 -10.102 217 HB3 GLN 28 2HB GLN 28 0.469 -3.635 -10.495 218 HG2 GLN 28 1HG GLN 28 2.671 -4.222 -9.555 219 HG3 GLN 28 2HG GLN 28 2.083 -5.859 -9.269 220 HE21 GLN 28 1HE2 GLN 28 3.182 -3.577 -11.610 221 HE22 GLN 28 2HE2 GLN 28 3.268 -4.666 -12.948 222 H LEU 29 H LEU 29 -0.024 -1.600 -7.571 223 HA LEU 29 HA LEU 29 -2.772 -1.285 -8.577 224 HB2 LEU 29 1HB LEU 29 -1.782 0.006 -6.055 225 HB3 LEU 29 2HB LEU 29 -3.441 -0.147 -6.628 226 HG LEU 29 HG LEU 29 -3.092 -1.603 -4.740 227 HD11 LEU 29 1HD1 LEU 29 -4.371 -2.318 -6.908 228 HD12 LEU 29 2HD1 LEU 29 -4.102 -3.473 -5.604 229 HD13 LEU 29 3HD1 LEU 29 -3.072 -3.505 -7.035 230 HD21 LEU 29 1HD2 LEU 29 -1.159 -3.339 -6.150 231 HD22 LEU 29 2HD2 LEU 29 -1.321 -2.978 -4.431 232 HD23 LEU 29 3HD2 LEU 29 -0.535 -1.821 -5.505 233 HA PRO 30 HA PRO 30 -1.379 2.384 -10.550 234 HB2 PRO 30 1HB PRO 30 -3.665 3.849 -10.547 235 HB3 PRO 30 2HB PRO 30 -3.425 2.444 -11.594 236 HG2 PRO 30 1HG PRO 30 -4.893 2.639 -8.992 237 HG3 PRO 30 2HG PRO 30 -5.359 1.794 -10.480 238 HD2 PRO 30 1HD PRO 30 -4.286 0.511 -8.350 239 HD3 PRO 30 2HD PRO 30 -4.010 -0.018 -10.022 240 H ASP 31 H ASP 31 -0.106 3.898 -9.705 241 HA ASP 31 HA ASP 31 0.022 4.767 -7.129 242 HB2 ASP 31 1HB ASP 31 1.344 6.623 -7.891 243 HB3 ASP 31 2HB ASP 31 1.682 5.253 -8.945 244 H SER 32 H SER 32 -2.283 5.701 -9.523 245 HA SER 32 HA SER 32 -3.118 8.159 -8.405 246 HB2 SER 32 1HB SER 32 -3.646 7.122 -10.733 247 HB3 SER 32 2HB SER 32 -4.984 6.333 -9.897 248 HG SER 32 HG SER 32 -4.806 8.858 -10.772 249 H MET 33 H MET 33 -4.170 4.820 -7.912 250 HA MET 33 HA MET 33 -6.446 5.097 -6.456 251 HB2 MET 33 1HB MET 33 -4.934 2.998 -7.025 252 HB3 MET 33 2HB MET 33 -4.384 3.232 -5.371 253 HG2 MET 33 1HG MET 33 -6.384 2.634 -4.469 254 HG3 MET 33 2HG MET 33 -7.306 3.194 -5.862 255 HE1 MET 33 1HE MET 33 -4.645 0.072 -4.996 256 HE2 MET 33 2HE MET 33 -5.930 0.565 -3.893 257 HE3 MET 33 3HE MET 33 -6.080 -0.937 -4.807 258 H THR 34 H THR 34 -6.986 6.248 -4.734 259 HA THR 34 HA THR 34 -5.071 7.597 -3.128 260 HB THR 34 HB THR 34 -7.022 8.279 -1.741 261 HG1 THR 34 1HG THR 34 -8.241 6.301 -3.310 262 HG21 THR 34 1HG2 THR 34 -8.224 8.842 -4.281 263 HG22 THR 34 2HG2 THR 34 -6.468 8.923 -4.430 264 HG23 THR 34 3HG2 THR 34 -7.298 9.913 -3.230 265 H VAL 35 H VAL 35 -4.373 7.214 -1.062 266 HA VAL 35 HA VAL 35 -3.830 4.752 -0.130 267 HB VAL 35 HB VAL 35 -4.560 7.118 1.602 268 HG11 VAL 35 1HG1 VAL 35 -2.595 5.213 2.618 269 HG12 VAL 35 2HG1 VAL 35 -3.966 5.971 3.430 270 HG13 VAL 35 3HG1 VAL 35 -4.212 4.532 2.440 271 HG21 VAL 35 1HG2 VAL 35 -1.782 6.676 1.519 272 HG22 VAL 35 2HG2 VAL 35 -2.352 6.606 -0.148 273 HG23 VAL 35 3HG2 VAL 35 -2.684 8.030 0.838 274 H GLN 36 H GLN 36 -6.824 6.532 0.516 275 HA GLN 36 HA GLN 36 -8.008 4.785 2.318 276 HB2 GLN 36 1HB GLN 36 -8.783 7.105 1.369 277 HB3 GLN 36 2HB GLN 36 -9.666 6.118 0.212 278 HG2 GLN 36 1HG GLN 36 -10.627 4.906 2.236 279 HG3 GLN 36 2HG GLN 36 -9.989 6.246 3.188 280 HE21 GLN 36 1HE2 GLN 36 -10.815 8.345 2.822 281 HE22 GLN 36 2HE2 GLN 36 -12.376 8.576 2.120 282 H LYS 37 H LYS 37 -8.151 4.766 -1.230 283 HA LYS 37 HA LYS 37 -9.899 2.634 -1.573 284 HB2 LYS 37 1HB LYS 37 -7.605 3.639 -3.246 285 HB3 LYS 37 2HB LYS 37 -8.611 2.293 -3.765 286 HG2 LYS 37 1HG LYS 37 -9.780 4.951 -3.014 287 HG3 LYS 37 2HG LYS 37 -9.202 4.602 -4.645 288 HD2 LYS 37 1HD LYS 37 -11.146 2.779 -3.269 289 HD3 LYS 37 2HD LYS 37 -11.699 4.229 -4.112 290 HE2 LYS 37 1HE LYS 37 -10.123 1.945 -5.295 291 HE3 LYS 37 2HE LYS 37 -11.823 2.311 -5.586 292 HZ1 LYS 37 1HZ LYS 37 -11.188 3.600 -7.251 293 HZ2 LYS 37 2HZ LYS 37 -9.555 3.333 -6.904 294 HZ3 LYS 37 3HZ LYS 37 -10.378 4.613 -6.165 295 H VAL 38 H VAL 38 -6.336 2.552 -1.480 296 HA VAL 38 HA VAL 38 -6.007 -0.198 -1.722 297 HB VAL 38 HB VAL 38 -4.289 1.726 -0.149 298 HG11 VAL 38 1HG1 VAL 38 -2.565 0.134 -0.201 299 HG12 VAL 38 2HG1 VAL 38 -4.002 -0.776 0.270 300 HG13 VAL 38 3HG1 VAL 38 -3.405 -0.863 -1.388 301 HG21 VAL 38 1HG2 VAL 38 -4.748 2.207 -2.613 302 HG22 VAL 38 2HG2 VAL 38 -3.060 2.112 -2.111 303 HG23 VAL 38 3HG2 VAL 38 -3.808 0.753 -2.950 304 H LYS 39 H LYS 39 -6.647 1.766 1.134 305 HA LYS 39 HA LYS 39 -6.290 -0.325 3.025 306 HB2 LYS 39 1HB LYS 39 -7.799 2.287 3.199 307 HB3 LYS 39 2HB LYS 39 -7.535 1.210 4.564 308 HG2 LYS 39 1HG LYS 39 -5.110 1.483 4.290 309 HG3 LYS 39 2HG LYS 39 -5.403 2.605 2.958 310 HD2 LYS 39 1HD LYS 39 -6.309 4.229 4.368 311 HD3 LYS 39 2HD LYS 39 -6.618 3.067 5.661 312 HE2 LYS 39 1HE LYS 39 -4.390 3.014 6.314 313 HE3 LYS 39 2HE LYS 39 -3.818 3.621 4.761 314 HZ1 LYS 39 1HZ LYS 39 -3.760 5.618 5.686 315 HZ2 LYS 39 2HZ LYS 39 -4.516 5.069 7.096 316 HZ3 LYS 39 3HZ LYS 39 -5.448 5.593 5.785 317 H GLY 40 H GLY 40 -9.103 0.978 1.319 318 HA2 GLY 40 1HA GLY 40 -11.056 -0.541 2.685 319 HA3 GLY 40 2HA GLY 40 -11.250 0.191 1.100 320 H LEU 41 H LEU 41 -8.795 -1.396 0.228 321 HA LEU 41 HA LEU 41 -10.251 -3.620 -0.822 322 HB2 LEU 41 1HB LEU 41 -8.634 -2.706 -2.251 323 HB3 LEU 41 2HB LEU 41 -7.399 -2.710 -0.995 324 HG LEU 41 HG LEU 41 -7.770 -5.340 -1.189 325 HD11 LEU 41 1HD1 LEU 41 -8.326 -4.372 -3.987 326 HD12 LEU 41 2HD1 LEU 41 -9.546 -5.044 -2.906 327 HD13 LEU 41 3HD1 LEU 41 -8.193 -6.042 -3.437 328 HD21 LEU 41 1HD2 LEU 41 -6.125 -3.908 -3.256 329 HD22 LEU 41 2HD2 LEU 41 -5.779 -5.431 -2.437 330 HD23 LEU 41 3HD2 LEU 41 -5.696 -3.910 -1.545 331 H LEU 42 H LEU 42 -7.610 -3.264 1.522 332 HA LEU 42 HA LEU 42 -7.583 -6.091 2.106 333 HB2 LEU 42 1HB LEU 42 -6.172 -3.751 3.375 334 HB3 LEU 42 2HB LEU 42 -5.937 -5.430 3.857 335 HG LEU 42 HG LEU 42 -5.379 -4.445 1.068 336 HD11 LEU 42 1HD1 LEU 42 -3.293 -4.845 3.187 337 HD12 LEU 42 2HD1 LEU 42 -4.048 -3.276 2.910 338 HD13 LEU 42 3HD1 LEU 42 -3.140 -4.057 1.616 339 HD21 LEU 42 1HD2 LEU 42 -4.347 -6.850 2.563 340 HD22 LEU 42 2HD2 LEU 42 -4.116 -6.467 0.857 341 HD23 LEU 42 3HD2 LEU 42 -5.721 -6.883 1.458 342 H SER 43 H SER 43 -9.292 -3.347 3.189 343 HA SER 43 HA SER 43 -9.767 -4.024 5.875 344 HB2 SER 43 1HB SER 43 -10.368 -1.835 5.300 345 HB3 SER 43 2HB SER 43 -11.246 -2.352 3.861 346 HG SER 43 HG SER 43 -12.115 -3.181 6.400 347 H ARG 44 H ARG 44 -11.341 -5.001 2.886 348 HA ARG 44 HA ARG 44 -13.514 -6.349 4.165 349 HB2 ARG 44 1HB ARG 44 -12.420 -6.428 1.354 350 HB3 ARG 44 2HB ARG 44 -13.810 -7.378 1.862 351 HG2 ARG 44 1HG ARG 44 -14.644 -4.999 2.695 352 HG3 ARG 44 2HG ARG 44 -13.563 -4.465 1.406 353 HD2 ARG 44 1HD ARG 44 -14.836 -6.383 0.079 354 HD3 ARG 44 2HD ARG 44 -16.094 -6.007 1.256 355 HE ARG 44 HE ARG 44 -15.112 -3.629 0.094 356 HH11 ARG 44 2HH1 ARG 44 -17.078 -6.408 -0.635 357 HH12 ARG 44 1HH1 ARG 44 -18.040 -5.581 -1.814 358 HH21 ARG 44 2HH2 ARG 44 -16.372 -2.529 -1.457 359 HH22 ARG 44 1HH2 ARG 44 -17.638 -3.375 -2.281 360 H LEU 45 H LEU 45 -10.249 -7.147 3.450 361 HA LEU 45 HA LEU 45 -10.700 -10.014 3.654 362 HB2 LEU 45 1HB LEU 45 -9.091 -9.417 2.038 363 HB3 LEU 45 2HB LEU 45 -8.275 -8.317 3.147 364 HG LEU 45 HG LEU 45 -7.289 -10.110 4.342 365 HD11 LEU 45 1HD1 LEU 45 -8.676 -12.163 2.669 366 HD12 LEU 45 2HD1 LEU 45 -9.450 -11.516 4.115 367 HD13 LEU 45 3HD1 LEU 45 -7.896 -12.339 4.241 368 HD21 LEU 45 1HD2 LEU 45 -6.682 -11.524 1.995 369 HD22 LEU 45 2HD2 LEU 45 -5.765 -10.210 2.732 370 HD23 LEU 45 3HD2 LEU 45 -6.980 -9.857 1.503 371 H LEU 46 H LEU 46 -8.537 -7.694 5.292 372 HA LEU 46 HA LEU 46 -8.094 -9.416 7.512 373 HB2 LEU 46 1HB LEU 46 -7.606 -6.462 7.173 374 HB3 LEU 46 2HB LEU 46 -7.042 -7.420 8.541 375 HG LEU 46 HG LEU 46 -6.230 -8.071 5.723 376 HD11 LEU 46 1HD1 LEU 46 -4.065 -6.819 6.605 377 HD12 LEU 46 2HD1 LEU 46 -5.275 -5.888 7.488 378 HD13 LEU 46 3HD1 LEU 46 -5.345 -5.978 5.729 379 HD21 LEU 46 1HD2 LEU 46 -5.178 -9.740 6.735 380 HD22 LEU 46 2HD2 LEU 46 -5.756 -9.185 8.307 381 HD23 LEU 46 3HD2 LEU 46 -4.235 -8.570 7.658 382 H LYS 47 H LYS 47 -10.806 -7.815 6.641 383 HA LYS 47 HA LYS 47 -12.711 -7.154 7.698 384 HB2 LYS 47 1HB LYS 47 -11.848 -8.634 10.154 385 HB3 LYS 47 2HB LYS 47 -13.450 -8.504 9.441 386 HG2 LYS 47 1HG LYS 47 -11.142 -10.128 8.393 387 HG3 LYS 47 2HG LYS 47 -12.611 -10.740 9.157 388 HD2 LYS 47 1HD LYS 47 -12.873 -9.002 6.752 389 HD3 LYS 47 2HD LYS 47 -12.352 -10.674 6.531 390 HE2 LYS 47 1HE LYS 47 -14.612 -10.956 6.384 391 HE3 LYS 47 2HE LYS 47 -14.405 -11.150 8.124 392 HZ1 LYS 47 1HZ LYS 47 -16.243 -9.660 7.563 393 HZ2 LYS 47 2HZ LYS 47 -15.170 -8.618 6.774 394 HZ3 LYS 47 3HZ LYS 47 -15.040 -8.860 8.443 395 H VAL 48 H VAL 48 -10.447 -5.424 7.927 396 HA VAL 48 HA VAL 48 -10.973 -4.188 10.553 397 HB VAL 48 HB VAL 48 -8.462 -4.025 8.882 398 HG11 VAL 48 1HG1 VAL 48 -8.796 -2.878 11.630 399 HG12 VAL 48 2HG1 VAL 48 -7.565 -2.521 10.416 400 HG13 VAL 48 3HG1 VAL 48 -9.217 -1.943 10.195 401 HG21 VAL 48 1HG2 VAL 48 -7.761 -4.942 11.361 402 HG22 VAL 48 2HG2 VAL 48 -9.318 -5.727 11.101 403 HG23 VAL 48 3HG2 VAL 48 -8.013 -5.952 9.937 404 HA PRO 49 HA PRO 49 -12.672 -0.772 8.337 405 HB2 PRO 49 1HB PRO 49 -12.536 1.082 10.315 406 HB3 PRO 49 2HB PRO 49 -13.726 -0.226 10.304 407 HG2 PRO 49 1HG PRO 49 -11.135 -0.035 11.791 408 HG3 PRO 49 2HG PRO 49 -12.710 -0.619 12.358 409 HD2 PRO 49 1HD PRO 49 -10.721 -2.294 11.604 410 HD3 PRO 49 2HD PRO 49 -12.437 -2.688 11.378 411 H VAL 50 H VAL 50 -11.776 0.582 6.918 412 HA VAL 50 HA VAL 50 -9.100 1.066 6.609 413 HB VAL 50 HB VAL 50 -11.456 2.742 5.763 414 HG11 VAL 50 1HG1 VAL 50 -8.554 3.121 5.036 415 HG12 VAL 50 2HG1 VAL 50 -9.911 3.923 4.244 416 HG13 VAL 50 3HG1 VAL 50 -9.567 4.242 5.944 417 HG21 VAL 50 1HG2 VAL 50 -10.708 0.334 4.868 418 HG22 VAL 50 2HG2 VAL 50 -11.437 1.558 3.828 419 HG23 VAL 50 3HG2 VAL 50 -9.686 1.346 3.847 420 H SER 51 H SER 51 -11.246 2.529 8.863 421 HA SER 51 HA SER 51 -9.822 4.939 9.320 422 HB2 SER 51 1HB SER 51 -12.140 4.716 10.025 423 HB3 SER 51 2HB SER 51 -11.712 3.400 11.117 424 HG SER 51 HG SER 51 -11.434 6.119 11.435 425 H GLU 52 H GLU 52 -9.732 1.743 10.840 426 HA GLU 52 HA GLU 52 -7.671 2.551 12.701 427 HB2 GLU 52 1HB GLU 52 -8.935 -0.130 12.119 428 HB3 GLU 52 2HB GLU 52 -7.710 0.129 13.353 429 HG2 GLU 52 1HG GLU 52 -10.471 1.315 13.259 430 HG3 GLU 52 2HG GLU 52 -9.864 0.105 14.388 431 H LEU 53 H LEU 53 -7.835 1.313 9.527 432 HA LEU 53 HA LEU 53 -5.347 -0.082 9.494 433 HB2 LEU 53 1HB LEU 53 -7.243 0.924 7.416 434 HB3 LEU 53 2HB LEU 53 -5.641 0.364 6.940 435 HG LEU 53 HG LEU 53 -7.569 -1.344 8.497 436 HD11 LEU 53 1HD1 LEU 53 -7.712 -2.429 6.089 437 HD12 LEU 53 2HD1 LEU 53 -7.424 -0.762 5.590 438 HD13 LEU 53 3HD1 LEU 53 -8.815 -1.151 6.602 439 HD21 LEU 53 1HD2 LEU 53 -6.142 -3.113 8.022 440 HD22 LEU 53 2HD2 LEU 53 -5.030 -1.789 8.368 441 HD23 LEU 53 3HD2 LEU 53 -5.356 -2.255 6.697 442 H LEU 54 H LEU 54 -3.334 0.605 8.925 443 HA LEU 54 HA LEU 54 -2.997 3.428 8.189 444 HB2 LEU 54 1HB LEU 54 -1.837 1.974 10.511 445 HB3 LEU 54 2HB LEU 54 -0.846 3.184 9.699 446 HG LEU 54 HG LEU 54 -3.587 3.796 10.778 447 HD11 LEU 54 1HD1 LEU 54 -2.264 4.870 12.669 448 HD12 LEU 54 2HD1 LEU 54 -0.924 3.843 12.162 449 HD13 LEU 54 3HD1 LEU 54 -2.436 3.115 12.703 450 HD21 LEU 54 1HD2 LEU 54 -3.115 5.578 9.464 451 HD22 LEU 54 2HD2 LEU 54 -1.373 5.310 9.533 452 HD23 LEU 54 3HD2 LEU 54 -2.201 6.082 10.886 453 H LEU 55 H LEU 55 -2.067 3.413 6.255 454 HA LEU 55 HA LEU 55 -0.271 1.243 5.508 455 HB2 LEU 55 1HB LEU 55 -1.873 3.268 4.082 456 HB3 LEU 55 2HB LEU 55 -0.341 2.829 3.330 457 HG LEU 55 HG LEU 55 -2.300 1.569 2.465 458 HD11 LEU 55 1HD1 LEU 55 -1.186 -0.513 2.350 459 HD12 LEU 55 2HD1 LEU 55 -0.357 -0.237 3.882 460 HD13 LEU 55 3HD1 LEU 55 0.073 0.718 2.463 461 HD21 LEU 55 1HD2 LEU 55 -3.620 0.238 3.749 462 HD22 LEU 55 2HD2 LEU 55 -3.198 1.445 4.964 463 HD23 LEU 55 3HD2 LEU 55 -2.341 -0.097 4.917 464 H SER 56 H SER 56 1.861 1.415 5.628 465 HA SER 56 HA SER 56 3.084 4.084 5.476 466 HB2 SER 56 1HB SER 56 4.788 3.070 7.189 467 HB3 SER 56 2HB SER 56 3.262 3.735 7.769 468 HG SER 56 HG SER 56 2.971 1.838 8.609 469 H TYR 57 H TYR 57 4.468 4.160 3.848 470 HA TYR 57 HA TYR 57 5.634 1.669 2.843 471 HB2 TYR 57 1HB TYR 57 5.764 2.649 0.766 472 HB3 TYR 57 2HB TYR 57 4.383 3.518 1.426 473 HD1 TYR 57 1HD TYR 57 4.785 5.815 2.439 474 HD2 TYR 57 2HD TYR 57 7.688 3.801 0.068 475 HE1 TYR 57 1HE TYR 57 5.937 7.952 2.045 476 HE2 TYR 57 2HE TYR 57 8.848 5.933 -0.332 477 HH TYR 57 HH TYR 57 8.851 8.344 1.214 478 H GLU 58 H GLU 58 7.804 1.306 2.733 479 HA GLU 58 HA GLU 58 9.507 3.245 4.143 480 HB2 GLU 58 1HB GLU 58 9.238 0.882 5.045 481 HB3 GLU 58 2HB GLU 58 10.137 0.340 3.635 482 HG2 GLU 58 1HG GLU 58 11.911 2.058 4.413 483 HG3 GLU 58 2HG GLU 58 11.071 1.962 5.960 484 H SER 59 H SER 59 10.573 4.513 2.772 485 HA SER 59 HA SER 59 11.117 3.868 0.077 486 HB2 SER 59 1HB SER 59 10.948 6.193 1.134 487 HB3 SER 59 2HB SER 59 12.607 5.947 1.679 488 HG SER 59 HG SER 59 12.627 7.002 -0.303 489 H SER 60 H SER 60 13.023 3.294 -0.955 490 HA SER 60 HA SER 60 14.797 1.643 0.597 491 HB2 SER 60 1HB SER 60 15.508 0.754 -1.415 492 HB3 SER 60 2HB SER 60 13.902 1.324 -1.868 493 HG SER 60 HG SER 60 15.178 3.365 -2.397 494 H LYS 61 H LYS 61 14.795 4.865 -0.597 495 HA LYS 61 HA LYS 61 17.633 5.237 -0.634 496 HB2 LYS 61 1HB LYS 61 15.400 7.273 -0.507 497 HB3 LYS 61 2HB LYS 61 17.089 7.634 -0.837 498 HG2 LYS 61 1HG LYS 61 17.020 6.518 -2.919 499 HG3 LYS 61 2HG LYS 61 15.456 5.786 -2.553 500 HD2 LYS 61 1HD LYS 61 14.788 7.507 -3.908 501 HD3 LYS 61 2HD LYS 61 14.708 8.304 -2.335 502 HE2 LYS 61 1HE LYS 61 16.943 9.238 -2.703 503 HE3 LYS 61 2HE LYS 61 17.016 8.443 -4.275 504 HZ1 LYS 61 1HZ LYS 61 16.373 10.816 -4.372 505 HZ2 LYS 61 2HZ LYS 61 14.957 10.444 -3.524 506 HZ3 LYS 61 3HZ LYS 61 15.223 9.782 -5.058 507 H MET 62 H MET 62 15.098 5.559 1.747 508 HA MET 62 HA MET 62 17.142 6.286 3.738 509 HB2 MET 62 1HB MET 62 15.318 8.059 3.031 510 HB3 MET 62 2HB MET 62 14.301 7.127 4.122 511 HG2 MET 62 1HG MET 62 15.143 8.810 5.468 512 HG3 MET 62 2HG MET 62 16.185 7.435 5.828 513 HE1 MET 62 1HE MET 62 15.829 10.724 3.718 514 HE2 MET 62 2HE MET 62 16.198 11.065 5.408 515 HE3 MET 62 3HE MET 62 17.370 11.464 4.151 516 HA PRO 63 HA PRO 63 15.251 2.292 5.001 517 HB2 PRO 63 1HB PRO 63 17.545 1.304 6.066 518 HB3 PRO 63 2HB PRO 63 17.156 1.186 4.346 519 HG2 PRO 63 1HG PRO 63 18.933 3.140 5.755 520 HG3 PRO 63 2HG PRO 63 19.200 2.287 4.224 521 HD2 PRO 63 1HD PRO 63 18.372 4.863 4.332 522 HD3 PRO 63 2HD PRO 63 17.886 3.757 3.030 523 H GLY 64 H GLY 64 15.039 1.340 7.150 524 HA2 GLY 64 1HA GLY 64 14.722 1.452 9.423 525 HA3 GLY 64 2HA GLY 64 16.073 2.575 9.477 526 H ARG 65 H ARG 65 13.330 3.297 7.485 527 HA ARG 65 HA ARG 65 12.028 4.908 9.506 528 HB2 ARG 65 1HB ARG 65 14.031 6.191 8.364 529 HB3 ARG 65 2HB ARG 65 12.874 6.394 7.056 530 HG2 ARG 65 1HG ARG 65 11.305 7.228 8.977 531 HG3 ARG 65 2HG ARG 65 12.833 7.510 9.814 532 HD2 ARG 65 1HD ARG 65 13.556 9.058 8.220 533 HD3 ARG 65 2HD ARG 65 12.387 8.503 7.021 534 HE ARG 65 HE ARG 65 10.882 9.473 9.099 535 HH11 ARG 65 2HH1 ARG 65 13.350 10.739 6.994 536 HH12 ARG 65 1HH1 ARG 65 12.744 12.362 7.046 537 HH21 ARG 65 2HH2 ARG 65 10.076 11.605 9.175 538 HH22 ARG 65 1HH2 ARG 65 10.882 12.853 8.287 539 H GLU 66 H GLU 66 9.898 5.040 9.129 540 HA GLU 66 HA GLU 66 8.937 4.385 6.421 541 HB2 GLU 66 1HB GLU 66 6.962 3.326 7.541 542 HB3 GLU 66 2HB GLU 66 8.484 2.488 7.806 543 HG2 GLU 66 1HG GLU 66 7.355 4.453 9.773 544 HG3 GLU 66 2HG GLU 66 6.962 2.735 9.803 545 H ILE 67 H ILE 67 7.155 5.497 5.654 546 HA ILE 67 HA ILE 67 6.497 7.938 7.147 547 HB ILE 67 HB ILE 67 6.123 7.304 4.218 548 HG12 ILE 67 1HG1 ILE 67 7.801 9.352 4.186 549 HG13 ILE 67 2HG1 ILE 67 8.206 8.758 5.792 550 HG21 ILE 67 1HG2 ILE 67 5.788 10.002 5.480 551 HG22 ILE 67 2HG2 ILE 67 5.241 9.439 3.902 552 HG23 ILE 67 3HG2 ILE 67 4.443 8.868 5.367 553 HD11 ILE 67 1HD1 ILE 67 9.624 7.931 3.871 554 HD12 ILE 67 2HD1 ILE 67 8.963 6.702 4.950 555 HD13 ILE 67 3HD1 ILE 67 8.222 6.984 3.375 556 H GLU 68 H GLU 68 4.697 7.795 8.310 557 HA GLU 68 HA GLU 68 2.628 5.906 7.749 558 HB2 GLU 68 1HB GLU 68 1.421 7.246 9.589 559 HB3 GLU 68 2HB GLU 68 2.883 6.372 10.024 560 HG2 GLU 68 1HG GLU 68 3.164 9.199 9.181 561 HG3 GLU 68 2HG GLU 68 2.461 8.872 10.764 562 H LEU 69 H LEU 69 1.298 6.155 6.080 563 HA LEU 69 HA LEU 69 0.679 8.730 4.975 564 HB2 LEU 69 1HB LEU 69 -0.724 6.160 4.319 565 HB3 LEU 69 2HB LEU 69 -0.491 7.574 3.294 566 HG LEU 69 HG LEU 69 1.787 5.822 4.187 567 HD11 LEU 69 1HD1 LEU 69 -0.195 4.801 2.730 568 HD12 LEU 69 2HD1 LEU 69 1.498 4.392 2.453 569 HD13 LEU 69 3HD1 LEU 69 0.707 5.599 1.441 570 HD21 LEU 69 1HD2 LEU 69 2.935 6.840 2.302 571 HD22 LEU 69 2HD2 LEU 69 2.350 8.080 3.412 572 HD23 LEU 69 3HD2 LEU 69 1.491 7.770 1.902 573 H GLU 70 H GLU 70 -0.519 9.987 6.313 574 HA GLU 70 HA GLU 70 -2.886 8.870 7.600 575 HB2 GLU 70 1HB GLU 70 -3.015 11.003 8.785 576 HB3 GLU 70 2HB GLU 70 -1.411 10.300 8.935 577 HG2 GLU 70 1HG GLU 70 -0.827 12.438 8.478 578 HG3 GLU 70 2HG GLU 70 -0.939 11.823 6.829 579 H ASN 71 H ASN 71 -1.976 11.161 5.101 580 HA ASN 71 HA ASN 71 -4.585 12.230 4.702 581 HB2 ASN 71 1HB ASN 71 -2.200 13.101 3.952 582 HB3 ASN 71 2HB ASN 71 -2.573 12.186 2.494 583 HD21 ASN 71 1HD2 ASN 71 -5.300 12.589 2.339 584 HD22 ASN 71 2HD2 ASN 71 -5.607 14.258 2.016 585 H ASP 72 H ASP 72 -6.054 10.569 4.446 586 HA ASP 72 HA ASP 72 -5.685 8.405 2.641 587 HB2 ASP 72 1HB ASP 72 -8.034 9.508 4.151 588 HB3 ASP 72 2HB ASP 72 -8.268 8.249 2.941 589 H LEU 73 H LEU 73 -6.868 11.645 2.310 590 HA LEU 73 HA LEU 73 -8.128 11.143 -0.250 591 HB2 LEU 73 1HB LEU 73 -7.653 13.640 1.359 592 HB3 LEU 73 2HB LEU 73 -8.387 13.656 -0.244 593 HG LEU 73 HG LEU 73 -9.519 12.252 2.176 594 HD11 LEU 73 1HD1 LEU 73 -9.486 14.803 2.169 595 HD12 LEU 73 2HD1 LEU 73 -11.044 14.011 2.403 596 HD13 LEU 73 3HD1 LEU 73 -10.630 14.693 0.831 597 HD21 LEU 73 1HD2 LEU 73 -10.150 12.202 -0.679 598 HD22 LEU 73 2HD2 LEU 73 -11.531 12.568 0.355 599 HD23 LEU 73 3HD2 LEU 73 -10.608 11.085 0.606 600 H GLN 74 H GLN 74 -5.274 10.580 0.053 601 HA GLN 74 HA GLN 74 -4.320 12.249 -2.159 602 HB2 GLN 74 1HB GLN 74 -2.864 11.709 0.423 603 HB3 GLN 74 2HB GLN 74 -2.025 12.196 -1.043 604 HG2 GLN 74 1HG GLN 74 -4.223 13.781 0.263 605 HG3 GLN 74 2HG GLN 74 -2.500 14.058 0.517 606 HE21 GLN 74 1HE2 GLN 74 -4.448 15.884 -0.551 607 HE22 GLN 74 2HE2 GLN 74 -3.929 16.295 -2.147 608 HA PRO 75 HA PRO 75 -3.237 8.345 -3.889 609 HB2 PRO 75 1HB PRO 75 -1.492 9.208 -5.781 610 HB3 PRO 75 2HB PRO 75 -3.242 9.419 -5.920 611 HG2 PRO 75 1HG PRO 75 -1.162 11.381 -5.034 612 HG3 PRO 75 2HG PRO 75 -2.550 11.631 -6.108 613 HD2 PRO 75 1HD PRO 75 -2.571 12.370 -3.503 614 HD3 PRO 75 2HD PRO 75 -4.032 11.826 -4.353 615 H LEU 76 H LEU 76 -1.260 7.051 -4.451 616 HA LEU 76 HA LEU 76 0.526 7.018 -2.245 617 HB2 LEU 76 1HB LEU 76 0.462 5.522 -4.851 618 HB3 LEU 76 2HB LEU 76 1.712 5.259 -3.637 619 HG LEU 76 HG LEU 76 -0.004 3.542 -3.510 620 HD11 LEU 76 1HD1 LEU 76 -0.813 4.702 -1.057 621 HD12 LEU 76 2HD1 LEU 76 0.847 5.208 -1.372 622 HD13 LEU 76 3HD1 LEU 76 0.439 3.492 -1.342 623 HD21 LEU 76 1HD2 LEU 76 -2.281 3.995 -3.043 624 HD22 LEU 76 2HD2 LEU 76 -1.833 5.032 -4.397 625 HD23 LEU 76 3HD2 LEU 76 -1.959 5.707 -2.772 626 H GLN 77 H GLN 77 0.748 8.200 -5.543 627 HA GLN 77 HA GLN 77 3.524 8.599 -5.657 628 HB2 GLN 77 1HB GLN 77 2.580 8.810 -7.735 629 HB3 GLN 77 2HB GLN 77 1.165 9.657 -7.126 630 HG2 GLN 77 1HG GLN 77 3.894 10.905 -7.268 631 HG3 GLN 77 2HG GLN 77 2.713 11.001 -8.573 632 HE21 GLN 77 1HE2 GLN 77 3.976 12.805 -6.312 633 HE22 GLN 77 2HE2 GLN 77 2.620 13.753 -5.818 634 H PHE 78 H PHE 78 0.925 10.563 -4.346 635 HA PHE 78 HA PHE 78 2.304 12.969 -4.008 636 HB2 PHE 78 1HB PHE 78 -0.105 12.831 -3.718 637 HB3 PHE 78 2HB PHE 78 0.094 11.765 -2.331 638 HD1 PHE 78 2HD PHE 78 0.750 15.198 -3.554 639 HD2 PHE 78 1HD PHE 78 0.373 12.633 -0.178 640 HE1 PHE 78 2HE PHE 78 0.802 17.156 -2.065 641 HE2 PHE 78 1HE PHE 78 0.424 14.588 1.316 642 HZ PHE 78 HZ PHE 78 0.640 16.852 0.373 643 H TYR 79 H TYR 79 2.875 9.983 -2.579 644 HA TYR 79 HA TYR 79 4.257 11.216 -0.290 645 HB2 TYR 79 1HB TYR 79 2.980 8.534 -0.684 646 HB3 TYR 79 2HB TYR 79 4.283 8.712 0.485 647 HD1 TYR 79 2HD TYR 79 3.990 10.190 2.448 648 HD2 TYR 79 1HD TYR 79 0.796 9.411 -0.253 649 HE1 TYR 79 2HE TYR 79 2.384 11.020 4.116 650 HE2 TYR 79 1HE TYR 79 -0.818 10.239 1.407 651 HH TYR 79 HH TYR 79 -0.750 11.838 3.401 652 H SER 80 H SER 80 5.082 10.717 -3.209 653 HA SER 80 HA SER 80 7.013 10.254 -4.320 654 HB2 SER 80 1HB SER 80 8.056 11.473 -2.419 655 HB3 SER 80 2HB SER 80 8.221 9.942 -1.560 656 HG SER 80 HG SER 80 10.116 10.645 -2.763 657 H VAL 81 H VAL 81 5.144 8.133 -3.531 658 HA VAL 81 HA VAL 81 6.765 5.799 -3.005 659 HB VAL 81 HB VAL 81 3.855 5.934 -3.805 660 HG11 VAL 81 1HG1 VAL 81 4.903 3.720 -2.165 661 HG12 VAL 81 2HG1 VAL 81 3.714 3.706 -3.469 662 HG13 VAL 81 3HG1 VAL 81 5.437 3.755 -3.845 663 HG21 VAL 81 1HG2 VAL 81 4.894 7.012 -1.544 664 HG22 VAL 81 2HG2 VAL 81 3.262 6.357 -1.676 665 HG23 VAL 81 3HG2 VAL 81 4.560 5.365 -1.011 666 H GLU 82 H GLU 82 7.905 4.820 -4.530 667 HA GLU 82 HA GLU 82 6.884 4.859 -7.294 668 HB2 GLU 82 1HB GLU 82 9.622 5.249 -6.194 669 HB3 GLU 82 2HB GLU 82 9.474 4.397 -7.724 670 HG2 GLU 82 1HG GLU 82 8.254 7.094 -7.208 671 HG3 GLU 82 2HG GLU 82 9.863 6.864 -7.892 672 H ASN 83 H ASN 83 7.781 3.003 -8.629 673 HA ASN 83 HA ASN 83 6.944 0.570 -7.528 674 HB2 ASN 83 1HB ASN 83 8.104 -0.430 -9.569 675 HB3 ASN 83 2HB ASN 83 6.859 0.775 -9.886 676 HD21 ASN 83 1HD2 ASN 83 9.267 -0.139 -11.402 677 HD22 ASN 83 2HD2 ASN 83 10.126 1.313 -11.774 678 H GLY 84 H GLY 84 7.981 -1.112 -6.570 679 HA2 GLY 84 1HA GLY 84 9.963 -2.402 -6.116 680 HA3 GLY 84 2HA GLY 84 10.907 -0.928 -6.275 681 H ASP 85 H ASP 85 9.003 0.626 -4.655 682 HA ASP 85 HA ASP 85 10.217 0.393 -2.164 683 HB2 ASP 85 1HB ASP 85 7.626 1.659 -3.034 684 HB3 ASP 85 2HB ASP 85 8.169 1.722 -1.360 685 H CYS 86 H CYS 86 8.726 0.152 -0.094 686 HA CYS 86 HA CYS 86 7.429 -2.482 -0.324 687 HB2 CYS 86 1HB CYS 86 8.947 -1.237 1.973 688 HB3 CYS 86 2HB CYS 86 8.005 -2.716 2.121 689 HG CYS 86 HG CYS 86 9.724 -4.347 1.062 690 H LEU 87 H LEU 87 5.676 -2.910 1.215 691 HA LEU 87 HA LEU 87 4.212 -0.466 1.964 692 HB2 LEU 87 1HB LEU 87 3.256 -2.911 0.526 693 HB3 LEU 87 2HB LEU 87 2.139 -1.944 1.487 694 HG LEU 87 HG LEU 87 3.720 -0.987 -0.898 695 HD11 LEU 87 1HD1 LEU 87 1.731 -2.571 -1.227 696 HD12 LEU 87 2HD1 LEU 87 1.741 -1.055 -2.127 697 HD13 LEU 87 3HD1 LEU 87 0.739 -1.218 -0.684 698 HD21 LEU 87 1HD2 LEU 87 2.245 1.030 -0.653 699 HD22 LEU 87 2HD2 LEU 87 3.473 0.842 0.600 700 HD23 LEU 87 3HD2 LEU 87 1.794 0.420 0.940 701 H LEU 88 H LEU 88 3.819 -0.368 4.066 702 HA LEU 88 HA LEU 88 3.769 -2.871 5.611 703 HB2 LEU 88 1HB LEU 88 4.213 -0.083 6.655 704 HB3 LEU 88 2HB LEU 88 4.435 -1.599 7.526 705 HG LEU 88 HG LEU 88 6.087 -1.036 5.100 706 HD11 LEU 88 1HD1 LEU 88 7.447 0.458 6.090 707 HD12 LEU 88 2HD1 LEU 88 7.231 -0.243 7.693 708 HD13 LEU 88 3HD1 LEU 88 6.007 0.841 7.033 709 HD21 LEU 88 1HD2 LEU 88 7.236 -2.259 7.501 710 HD22 LEU 88 2HD2 LEU 88 7.319 -2.767 5.814 711 HD23 LEU 88 3HD2 LEU 88 5.902 -3.165 6.786 712 H VAL 89 H VAL 89 1.725 -3.523 5.858 713 HA VAL 89 HA VAL 89 -0.394 -1.555 6.270 714 HB VAL 89 HB VAL 89 -0.523 -4.542 5.838 715 HG11 VAL 89 1HG1 VAL 89 -2.544 -2.596 6.720 716 HG12 VAL 89 2HG1 VAL 89 -3.040 -3.652 5.395 717 HG13 VAL 89 3HG1 VAL 89 -2.488 -4.347 6.920 718 HG21 VAL 89 1HG2 VAL 89 -1.267 -2.227 4.052 719 HG22 VAL 89 2HG2 VAL 89 0.129 -3.287 3.853 720 HG23 VAL 89 3HG2 VAL 89 -1.502 -3.934 3.674 721 H ARG 90 H ARG 90 -0.261 -0.862 8.356 722 HA ARG 90 HA ARG 90 -0.599 -2.919 10.437 723 HB2 ARG 90 1HB ARG 90 0.727 -1.632 11.965 724 HB3 ARG 90 2HB ARG 90 1.657 -1.843 10.487 725 HG2 ARG 90 1HG ARG 90 2.035 0.364 10.846 726 HG3 ARG 90 2HG ARG 90 0.554 0.487 9.893 727 HD2 ARG 90 1HD ARG 90 0.067 1.869 11.668 728 HD3 ARG 90 2HD ARG 90 -0.616 0.341 12.220 729 HE ARG 90 HE ARG 90 0.858 0.401 13.950 730 HH11 ARG 90 2HH1 ARG 90 2.150 2.316 11.346 731 HH12 ARG 90 1HH1 ARG 90 3.538 2.836 12.243 732 HH21 ARG 90 2HH2 ARG 90 2.680 1.080 15.142 733 HH22 ARG 90 1HH2 ARG 90 3.839 2.132 14.402 734 H TRP 91 H TRP 91 -1.828 -2.264 12.300 735 HA TRP 91 HA TRP 91 -3.432 0.161 12.005 736 HB2 TRP 91 1HB TRP 91 -5.525 -1.104 12.432 737 HB3 TRP 91 2HB TRP 91 -4.772 -1.531 10.897 738 HD1 TRP 91 HD TRP 91 -5.501 -2.959 14.374 739 HE1 TRP 91 1HE TRP 91 -5.201 -5.514 14.291 740 HE3 TRP 91 3HE TRP 91 -3.551 -3.395 9.668 741 HZ2 TRP 91 2HZ TRP 91 -4.261 -7.457 12.472 742 HZ3 TRP 91 3HZ TRP 91 -2.977 -5.637 8.833 743 HH2 TRP 91 HH TRP 91 -3.325 -7.625 10.207 744 H SER 92 H SER 92 -4.575 0.758 13.959 745 HA SER 92 HA SER 92 -3.236 -0.292 16.359 746 HB2 SER 92 1HB SER 92 -2.848 2.107 15.859 747 HB3 SER 92 2HB SER 92 -4.584 2.392 15.974 748 HG SER 92 HG SER 92 -4.207 1.299 18.172 749 H GLY 93 H GLY 93 -4.641 -1.990 16.805 750 HA2 GLY 93 1HA GLY 93 -6.538 -1.953 18.586 751 HA3 GLY 93 2HA GLY 93 -7.467 -1.316 17.237 752 HA PRO 94 HA PRO 94 -6.286 -5.880 16.104 753 HB2 PRO 94 1HB PRO 94 -5.316 -7.394 18.138 754 HB3 PRO 94 2HB PRO 94 -4.276 -6.467 17.050 755 HG2 PRO 94 1HG PRO 94 -5.225 -5.783 19.806 756 HG3 PRO 94 2HG PRO 94 -3.612 -5.585 19.097 757 HD2 PRO 94 1HD PRO 94 -5.360 -3.531 19.333 758 HD3 PRO 94 2HD PRO 94 -4.194 -3.644 17.999 759 H SER 95 H SER 95 -7.820 -7.461 16.111 760 HA SER 95 HA SER 95 -9.873 -8.361 16.562 761 HB2 SER 95 1HB SER 95 -8.331 -9.607 18.103 762 HB3 SER 95 2HB SER 95 -8.790 -8.487 19.385 763 HG SER 95 HG SER 95 -10.056 -10.676 18.597 764 H SER 96 H SER 96 -10.034 -5.622 16.482 765 HA SER 96 HA SER 96 -11.511 -4.732 18.825 766 HB2 SER 96 1HB SER 96 -9.835 -3.356 17.300 767 HB3 SER 96 2HB SER 96 -11.293 -3.071 16.350 768 HG SER 96 HG SER 96 -11.191 -1.451 17.844 769 H GLY 97 H GLY 97 -13.561 -5.371 18.982 770 HA2 GLY 97 1HA GLY 97 -15.339 -4.890 16.709 771 HA3 GLY 97 2HA GLY 97 -15.281 -6.524 17.355 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.661 -0.041 -20.059 2 HA2 GLY 1 1HA GLY 1 1.362 1.932 -21.282 3 HA3 GLY 1 2HA GLY 1 1.688 0.783 -22.572 4 H SER 2 H SER 2 -0.384 3.132 -21.574 5 HA SER 2 HA SER 2 -2.517 2.101 -23.317 6 HB2 SER 2 1HB SER 2 -2.763 3.282 -20.568 7 HB3 SER 2 2HB SER 2 -4.077 3.469 -21.728 8 HG SER 2 HG SER 2 -4.467 1.606 -20.598 9 H SER 3 H SER 3 -0.469 3.738 -24.195 10 HA SER 3 HA SER 3 -0.031 5.692 -25.279 11 HB2 SER 3 1HB SER 3 -3.035 5.543 -25.435 12 HB3 SER 3 2HB SER 3 -2.147 6.883 -26.162 13 HG SER 3 HG SER 3 -2.239 5.425 -27.759 14 H GLY 4 H GLY 4 0.124 5.903 -22.526 15 HA2 GLY 4 1HA GLY 4 0.595 7.764 -21.174 16 HA3 GLY 4 2HA GLY 4 -0.442 8.744 -22.200 17 H SER 5 H SER 5 -0.441 6.290 -19.663 18 HA SER 5 HA SER 5 -3.261 6.682 -19.128 19 HB2 SER 5 1HB SER 5 -2.993 4.968 -17.435 20 HB3 SER 5 2HB SER 5 -2.176 4.445 -18.907 21 HG SER 5 HG SER 5 -1.133 4.563 -16.542 22 H SER 6 H SER 6 -4.117 7.487 -17.175 23 HA SER 6 HA SER 6 -2.780 9.776 -16.165 24 HB2 SER 6 1HB SER 6 -5.351 9.189 -16.326 25 HB3 SER 6 2HB SER 6 -5.087 8.559 -14.701 26 HG SER 6 HG SER 6 -3.981 10.781 -14.478 27 H GLY 7 H GLY 7 -3.291 6.512 -14.935 28 HA2 GLY 7 1HA GLY 7 -1.282 7.076 -12.857 29 HA3 GLY 7 2HA GLY 7 -2.797 6.301 -12.416 30 H GLN 8 H GLN 8 0.347 5.701 -13.023 31 HA GLN 8 HA GLN 8 -0.021 3.190 -14.446 32 HB2 GLN 8 1HB GLN 8 2.353 3.063 -14.561 33 HB3 GLN 8 2HB GLN 8 1.921 4.738 -14.883 34 HG2 GLN 8 1HG GLN 8 2.302 4.954 -12.276 35 HG3 GLN 8 2HG GLN 8 3.327 3.549 -12.561 36 HE21 GLN 8 1HE2 GLN 8 4.203 6.103 -11.697 37 HE22 GLN 8 2HE2 GLN 8 5.253 6.737 -12.913 38 H LEU 9 H LEU 9 0.499 1.156 -13.593 39 HA LEU 9 HA LEU 9 -0.083 0.875 -10.788 40 HB2 LEU 9 1HB LEU 9 0.260 -0.956 -13.103 41 HB3 LEU 9 2HB LEU 9 0.461 -1.622 -11.484 42 HG LEU 9 HG LEU 9 -1.896 -0.392 -11.155 43 HD11 LEU 9 1HD1 LEU 9 -2.565 0.416 -13.145 44 HD12 LEU 9 2HD1 LEU 9 -3.044 -1.256 -13.438 45 HD13 LEU 9 3HD1 LEU 9 -1.506 -0.658 -14.059 46 HD21 LEU 9 1HD2 LEU 9 -2.937 -2.601 -11.659 47 HD22 LEU 9 2HD2 LEU 9 -1.518 -2.691 -10.614 48 HD23 LEU 9 3HD2 LEU 9 -1.387 -3.124 -12.319 49 H LEU 10 H LEU 10 1.288 0.395 -9.162 50 HA LEU 10 HA LEU 10 4.146 0.224 -9.836 51 HB2 LEU 10 1HB LEU 10 3.224 0.796 -7.071 52 HB3 LEU 10 2HB LEU 10 4.655 1.371 -7.925 53 HG LEU 10 HG LEU 10 1.832 2.379 -8.275 54 HD11 LEU 10 1HD1 LEU 10 3.916 3.055 -6.448 55 HD12 LEU 10 2HD1 LEU 10 2.308 3.759 -6.610 56 HD13 LEU 10 3HD1 LEU 10 3.652 4.405 -7.551 57 HD21 LEU 10 1HD2 LEU 10 3.699 2.310 -10.229 58 HD22 LEU 10 2HD2 LEU 10 4.098 3.842 -9.451 59 HD23 LEU 10 3HD2 LEU 10 2.472 3.567 -10.077 60 H THR 11 H THR 11 5.468 -1.297 -8.816 61 HA THR 11 HA THR 11 4.021 -3.641 -7.803 62 HB THR 11 HB THR 11 6.893 -3.510 -8.732 63 HG1 THR 11 1HG THR 11 6.183 -3.884 -10.717 64 HG21 THR 11 1HG2 THR 11 5.072 -5.666 -7.796 65 HG22 THR 11 2HG2 THR 11 6.808 -5.470 -7.557 66 HG23 THR 11 3HG2 THR 11 6.191 -6.045 -9.105 67 H LEU 12 H LEU 12 3.825 -3.510 -5.643 68 HA LEU 12 HA LEU 12 6.286 -3.073 -4.087 69 HB2 LEU 12 1HB LEU 12 3.558 -2.290 -3.109 70 HB3 LEU 12 2HB LEU 12 5.130 -1.834 -2.455 71 HG LEU 12 HG LEU 12 4.354 -0.932 -5.197 72 HD11 LEU 12 1HD1 LEU 12 2.514 0.018 -4.321 73 HD12 LEU 12 2HD1 LEU 12 3.663 1.197 -3.691 74 HD13 LEU 12 3HD1 LEU 12 3.100 -0.121 -2.663 75 HD21 LEU 12 1HD2 LEU 12 5.903 0.499 -3.056 76 HD22 LEU 12 2HD2 LEU 12 5.887 0.807 -4.792 77 HD23 LEU 12 3HD2 LEU 12 6.657 -0.649 -4.162 78 H LYS 13 H LYS 13 6.254 -4.073 -1.936 79 HA LYS 13 HA LYS 13 4.753 -6.602 -1.991 80 HB2 LYS 13 1HB LYS 13 7.444 -5.831 -0.935 81 HB3 LYS 13 2HB LYS 13 6.587 -7.174 -0.189 82 HG2 LYS 13 1HG LYS 13 6.442 -8.277 -2.378 83 HG3 LYS 13 2HG LYS 13 7.351 -6.944 -3.093 84 HD2 LYS 13 1HD LYS 13 9.211 -7.450 -1.518 85 HD3 LYS 13 2HD LYS 13 8.308 -8.864 -0.971 86 HE2 LYS 13 1HE LYS 13 9.164 -8.366 -3.820 87 HE3 LYS 13 2HE LYS 13 10.037 -9.384 -2.675 88 HZ1 LYS 13 1HZ LYS 13 8.268 -10.907 -2.597 89 HZ2 LYS 13 2HZ LYS 13 8.474 -10.555 -4.238 90 HZ3 LYS 13 3HZ LYS 13 7.198 -9.853 -3.376 91 H ILE 14 H ILE 14 3.216 -6.933 -0.528 92 HA ILE 14 HA ILE 14 2.850 -4.995 1.609 93 HB ILE 14 HB ILE 14 1.115 -7.272 0.654 94 HG12 ILE 14 1HG1 ILE 14 -0.376 -5.112 0.258 95 HG13 ILE 14 2HG1 ILE 14 1.196 -4.322 0.202 96 HG21 ILE 14 1HG2 ILE 14 1.016 -5.666 3.105 97 HG22 ILE 14 2HG2 ILE 14 -0.500 -5.737 2.208 98 HG23 ILE 14 3HG2 ILE 14 0.281 -7.226 2.738 99 HD11 ILE 14 1HD1 ILE 14 0.879 -6.757 -1.434 100 HD12 ILE 14 2HD1 ILE 14 -0.007 -5.321 -1.949 101 HD13 ILE 14 3HD1 ILE 14 1.747 -5.260 -1.774 102 H LYS 15 H LYS 15 3.529 -5.319 3.614 103 HA LYS 15 HA LYS 15 3.686 -8.053 4.657 104 HB2 LYS 15 1HB LYS 15 5.943 -7.511 3.917 105 HB3 LYS 15 2HB LYS 15 5.904 -6.005 4.824 106 HG2 LYS 15 1HG LYS 15 5.540 -7.482 6.886 107 HG3 LYS 15 2HG LYS 15 6.071 -8.812 5.854 108 HD2 LYS 15 1HD LYS 15 8.212 -7.947 5.626 109 HD3 LYS 15 2HD LYS 15 7.702 -6.309 6.042 110 HE2 LYS 15 1HE LYS 15 7.192 -7.234 8.360 111 HE3 LYS 15 2HE LYS 15 8.093 -8.667 7.867 112 HZ1 LYS 15 1HZ LYS 15 9.222 -6.586 9.046 113 HZ2 LYS 15 2HZ LYS 15 9.400 -6.103 7.436 114 HZ3 LYS 15 3HZ LYS 15 10.050 -7.576 7.953 115 H CYS 16 H CYS 16 2.427 -8.107 6.389 116 HA CYS 16 HA CYS 16 1.555 -5.799 7.774 117 HB2 CYS 16 1HB CYS 16 0.519 -8.223 7.562 118 HB3 CYS 16 2HB CYS 16 1.419 -8.499 9.048 119 HG CYS 16 HG CYS 16 -0.012 -5.777 9.725 120 H SER 17 H SER 17 2.407 -4.730 9.439 121 HA SER 17 HA SER 17 5.004 -5.422 10.410 122 HB2 SER 17 1HB SER 17 3.085 -3.288 11.378 123 HB3 SER 17 2HB SER 17 4.796 -3.398 11.789 124 HG SER 17 HG SER 17 5.265 -2.505 9.950 125 H ASN 18 H ASN 18 1.838 -6.234 11.342 126 HA ASN 18 HA ASN 18 2.680 -6.920 14.069 127 HB2 ASN 18 1HB ASN 18 0.568 -5.581 13.691 128 HB3 ASN 18 2HB ASN 18 -0.121 -7.018 12.942 129 HD21 ASN 18 1HD2 ASN 18 -0.002 -5.318 15.710 130 HD22 ASN 18 2HD2 ASN 18 -0.338 -6.571 16.851 131 H GLN 19 H GLN 19 1.677 -8.279 11.030 132 HA GLN 19 HA GLN 19 1.728 -10.977 12.200 133 HB2 GLN 19 1HB GLN 19 0.730 -10.336 9.440 134 HB3 GLN 19 2HB GLN 19 0.350 -11.722 10.453 135 HG2 GLN 19 1HG GLN 19 -0.450 -8.961 11.275 136 HG3 GLN 19 2HG GLN 19 -1.420 -9.885 10.128 137 HE21 GLN 19 1HE2 GLN 19 -2.593 -9.139 12.408 138 HE22 GLN 19 2HE2 GLN 19 -2.806 -10.486 13.468 139 HA PRO 20 HA PRO 20 5.730 -10.650 9.930 140 HB2 PRO 20 1HB PRO 20 7.122 -12.119 11.740 141 HB3 PRO 20 2HB PRO 20 6.859 -10.380 11.912 142 HG2 PRO 20 1HG PRO 20 5.402 -12.653 13.205 143 HG3 PRO 20 2HG PRO 20 5.955 -11.127 13.920 144 HD2 PRO 20 1HD PRO 20 3.385 -11.538 13.173 145 HD3 PRO 20 2HD PRO 20 4.159 -9.943 13.093 146 H GLU 21 H GLU 21 4.388 -13.488 11.613 147 HA GLU 21 HA GLU 21 5.688 -15.469 10.153 148 HB2 GLU 21 1HB GLU 21 3.789 -16.938 10.823 149 HB3 GLU 21 2HB GLU 21 4.487 -16.031 12.157 150 HG2 GLU 21 1HG GLU 21 2.661 -14.469 12.118 151 HG3 GLU 21 2HG GLU 21 1.991 -15.235 10.680 152 H ARG 22 H ARG 22 2.955 -13.481 9.327 153 HA ARG 22 HA ARG 22 2.002 -15.067 7.166 154 HB2 ARG 22 1HB ARG 22 0.608 -13.379 8.296 155 HB3 ARG 22 2HB ARG 22 1.656 -12.108 7.679 156 HG2 ARG 22 1HG ARG 22 1.012 -12.615 5.413 157 HG3 ARG 22 2HG ARG 22 0.055 -13.992 5.962 158 HD2 ARG 22 1HD ARG 22 -1.189 -12.241 7.405 159 HD3 ARG 22 2HD ARG 22 -0.470 -11.064 6.306 160 HE ARG 22 HE ARG 22 -2.581 -12.946 5.711 161 HH11 ARG 22 2HH1 ARG 22 -0.138 -10.818 4.437 162 HH12 ARG 22 1HH1 ARG 22 -0.903 -10.652 2.891 163 HH21 ARG 22 2HH2 ARG 22 -3.598 -12.735 3.680 164 HH22 ARG 22 1HH2 ARG 22 -2.872 -11.743 2.462 165 H GLN 23 H GLN 23 3.426 -15.578 5.600 166 HA GLN 23 HA GLN 23 5.640 -14.332 4.702 167 HB2 GLN 23 1HB GLN 23 5.260 -15.368 2.504 168 HB3 GLN 23 2HB GLN 23 4.898 -16.477 3.820 169 HG2 GLN 23 1HG GLN 23 2.771 -14.862 2.453 170 HG3 GLN 23 2HG GLN 23 3.291 -16.440 1.863 171 HE21 GLN 23 1HE2 GLN 23 3.262 -18.196 3.540 172 HE22 GLN 23 2HE2 GLN 23 1.912 -18.226 4.618 173 H ILE 24 H ILE 24 6.101 -13.003 2.802 174 HA ILE 24 HA ILE 24 4.357 -10.693 2.738 175 HB ILE 24 HB ILE 24 6.976 -11.166 1.310 176 HG12 ILE 24 1HG1 ILE 24 6.582 -9.402 3.710 177 HG13 ILE 24 2HG1 ILE 24 6.869 -11.127 3.912 178 HG21 ILE 24 1HG2 ILE 24 6.269 -9.393 0.124 179 HG22 ILE 24 2HG2 ILE 24 5.044 -8.956 1.313 180 HG23 ILE 24 3HG2 ILE 24 6.723 -8.480 1.562 181 HD11 ILE 24 1HD1 ILE 24 8.964 -10.097 4.115 182 HD12 ILE 24 2HD1 ILE 24 8.941 -10.800 2.497 183 HD13 ILE 24 3HD1 ILE 24 8.685 -9.068 2.710 184 H LEU 25 H LEU 25 3.403 -9.813 0.886 185 HA LEU 25 HA LEU 25 3.188 -11.649 -1.409 186 HB2 LEU 25 1HB LEU 25 1.040 -9.960 -0.141 187 HB3 LEU 25 2HB LEU 25 0.862 -10.793 -1.684 188 HG LEU 25 HG LEU 25 1.319 -12.943 -0.398 189 HD11 LEU 25 1HD1 LEU 25 0.512 -12.627 2.056 190 HD12 LEU 25 2HD1 LEU 25 1.097 -10.977 1.838 191 HD13 LEU 25 3HD1 LEU 25 2.202 -12.337 1.640 192 HD21 LEU 25 1HD2 LEU 25 -1.152 -11.277 0.006 193 HD22 LEU 25 2HD2 LEU 25 -1.041 -12.957 0.532 194 HD23 LEU 25 3HD2 LEU 25 -0.871 -12.555 -1.177 195 H GLU 26 H GLU 26 2.244 -10.444 -3.377 196 HA GLU 26 HA GLU 26 3.378 -7.733 -3.533 197 HB2 GLU 26 1HB GLU 26 4.909 -9.372 -4.584 198 HB3 GLU 26 2HB GLU 26 3.612 -9.866 -5.663 199 HG2 GLU 26 1HG GLU 26 4.448 -7.004 -5.558 200 HG3 GLU 26 2HG GLU 26 5.403 -8.173 -6.469 201 H LYS 27 H LYS 27 1.929 -6.288 -4.161 202 HA LYS 27 HA LYS 27 -0.261 -7.153 -5.928 203 HB2 LYS 27 1HB LYS 27 -0.830 -6.744 -3.421 204 HB3 LYS 27 2HB LYS 27 -0.667 -5.041 -3.832 205 HG2 LYS 27 1HG LYS 27 -2.927 -5.399 -4.087 206 HG3 LYS 27 2HG LYS 27 -2.330 -5.592 -5.737 207 HD2 LYS 27 1HD LYS 27 -2.376 -7.991 -5.524 208 HD3 LYS 27 2HD LYS 27 -2.802 -7.870 -3.815 209 HE2 LYS 27 1HE LYS 27 -4.899 -6.707 -4.492 210 HE3 LYS 27 2HE LYS 27 -4.480 -7.027 -6.174 211 HZ1 LYS 27 1HZ LYS 27 -6.031 -8.641 -4.892 212 HZ2 LYS 27 2HZ LYS 27 -4.587 -9.261 -4.268 213 HZ3 LYS 27 3HZ LYS 27 -4.856 -9.263 -5.938 214 H GLN 28 H GLN 28 -0.717 -5.839 -7.613 215 HA GLN 28 HA GLN 28 0.937 -3.429 -7.891 216 HB2 GLN 28 1HB GLN 28 -0.405 -5.179 -9.953 217 HB3 GLN 28 2HB GLN 28 0.389 -3.658 -10.338 218 HG2 GLN 28 1HG GLN 28 2.443 -4.703 -9.178 219 HG3 GLN 28 2HG GLN 28 1.592 -6.229 -9.406 220 HE21 GLN 28 1HE2 GLN 28 3.601 -3.921 -10.806 221 HE22 GLN 28 2HE2 GLN 28 3.580 -4.518 -12.427 222 H LEU 29 H LEU 29 -0.025 -1.540 -7.597 223 HA LEU 29 HA LEU 29 -2.832 -1.236 -8.411 224 HB2 LEU 29 1HB LEU 29 -1.689 0.036 -5.939 225 HB3 LEU 29 2HB LEU 29 -3.374 -0.013 -6.452 226 HG LEU 29 HG LEU 29 -3.124 -1.502 -4.610 227 HD11 LEU 29 1HD1 LEU 29 -3.950 -2.350 -7.173 228 HD12 LEU 29 2HD1 LEU 29 -4.485 -2.941 -5.600 229 HD13 LEU 29 3HD1 LEU 29 -3.121 -3.708 -6.412 230 HD21 LEU 29 1HD2 LEU 29 -0.541 -1.791 -5.391 231 HD22 LEU 29 2HD2 LEU 29 -1.223 -3.340 -5.887 232 HD23 LEU 29 3HD2 LEU 29 -1.349 -2.818 -4.206 233 HA PRO 30 HA PRO 30 -1.421 2.346 -10.537 234 HB2 PRO 30 1HB PRO 30 -3.742 3.751 -10.650 235 HB3 PRO 30 2HB PRO 30 -3.440 2.314 -11.633 236 HG2 PRO 30 1HG PRO 30 -4.981 2.572 -9.080 237 HG3 PRO 30 2HG PRO 30 -5.387 1.658 -10.544 238 HD2 PRO 30 1HD PRO 30 -4.339 0.487 -8.339 239 HD3 PRO 30 2HD PRO 30 -4.006 -0.100 -9.982 240 H ASP 31 H ASP 31 -0.217 3.934 -9.731 241 HA ASP 31 HA ASP 31 -0.168 4.902 -7.188 242 HB2 ASP 31 1HB ASP 31 1.158 6.717 -7.971 243 HB3 ASP 31 2HB ASP 31 1.489 5.363 -9.048 244 H SER 32 H SER 32 -2.459 5.659 -9.650 245 HA SER 32 HA SER 32 -3.384 8.142 -8.683 246 HB2 SER 32 1HB SER 32 -3.934 7.348 -10.930 247 HB3 SER 32 2HB SER 32 -4.860 6.011 -10.249 248 HG SER 32 HG SER 32 -5.485 8.727 -10.395 249 H MET 33 H MET 33 -4.322 4.810 -7.973 250 HA MET 33 HA MET 33 -6.608 5.167 -6.507 251 HB2 MET 33 1HB MET 33 -5.164 3.024 -7.058 252 HB3 MET 33 2HB MET 33 -4.543 3.293 -5.435 253 HG2 MET 33 1HG MET 33 -6.526 2.781 -4.436 254 HG3 MET 33 2HG MET 33 -7.484 3.289 -5.825 255 HE1 MET 33 1HE MET 33 -6.003 0.744 -3.802 256 HE2 MET 33 2HE MET 33 -6.233 -0.798 -4.625 257 HE3 MET 33 3HE MET 33 -4.799 0.174 -4.959 258 H THR 34 H THR 34 -7.055 6.467 -4.866 259 HA THR 34 HA THR 34 -5.097 7.799 -3.329 260 HB THR 34 HB THR 34 -7.102 8.371 -1.828 261 HG1 THR 34 1HG THR 34 -8.567 7.274 -4.004 262 HG21 THR 34 1HG2 THR 34 -6.917 10.179 -3.128 263 HG22 THR 34 2HG2 THR 34 -8.141 9.457 -4.172 264 HG23 THR 34 3HG2 THR 34 -6.430 9.209 -4.517 265 H VAL 35 H VAL 35 -4.340 7.473 -1.274 266 HA VAL 35 HA VAL 35 -3.780 5.039 -0.285 267 HB VAL 35 HB VAL 35 -4.497 7.386 1.477 268 HG11 VAL 35 1HG1 VAL 35 -3.748 4.773 2.141 269 HG12 VAL 35 2HG1 VAL 35 -2.304 5.760 2.376 270 HG13 VAL 35 3HG1 VAL 35 -3.803 6.177 3.207 271 HG21 VAL 35 1HG2 VAL 35 -2.855 8.415 0.347 272 HG22 VAL 35 2HG2 VAL 35 -1.776 7.367 1.269 273 HG23 VAL 35 3HG2 VAL 35 -2.267 6.910 -0.361 274 H GLN 36 H GLN 36 -6.833 6.719 0.073 275 HA GLN 36 HA GLN 36 -7.974 5.119 2.078 276 HB2 GLN 36 1HB GLN 36 -9.087 7.134 1.601 277 HB3 GLN 36 2HB GLN 36 -9.136 6.802 -0.125 278 HG2 GLN 36 1HG GLN 36 -10.954 5.440 0.042 279 HG3 GLN 36 2HG GLN 36 -10.577 4.954 1.694 280 HE21 GLN 36 1HE2 GLN 36 -11.578 7.770 -0.204 281 HE22 GLN 36 2HE2 GLN 36 -12.613 8.437 1.008 282 H LYS 37 H LYS 37 -8.464 4.952 -1.453 283 HA LYS 37 HA LYS 37 -10.015 2.686 -1.574 284 HB2 LYS 37 1HB LYS 37 -8.024 3.912 -3.432 285 HB3 LYS 37 2HB LYS 37 -8.667 2.322 -3.821 286 HG2 LYS 37 1HG LYS 37 -10.974 3.462 -3.417 287 HG3 LYS 37 2HG LYS 37 -10.067 4.951 -3.689 288 HD2 LYS 37 1HD LYS 37 -9.774 2.689 -5.614 289 HD3 LYS 37 2HD LYS 37 -11.216 3.704 -5.688 290 HE2 LYS 37 1HE LYS 37 -8.527 4.991 -5.570 291 HE3 LYS 37 2HE LYS 37 -9.081 4.296 -7.093 292 HZ1 LYS 37 1HZ LYS 37 -9.691 6.783 -6.106 293 HZ2 LYS 37 2HZ LYS 37 -11.106 5.885 -5.881 294 HZ3 LYS 37 3HZ LYS 37 -10.423 6.014 -7.423 295 H VAL 38 H VAL 38 -6.486 2.895 -1.395 296 HA VAL 38 HA VAL 38 -5.906 0.177 -1.716 297 HB VAL 38 HB VAL 38 -4.383 2.167 -0.029 298 HG11 VAL 38 1HG1 VAL 38 -2.481 0.747 -0.340 299 HG12 VAL 38 2HG1 VAL 38 -3.803 -0.239 0.288 300 HG13 VAL 38 3HG1 VAL 38 -3.384 -0.310 -1.424 301 HG21 VAL 38 1HG2 VAL 38 -3.453 3.054 -1.887 302 HG22 VAL 38 2HG2 VAL 38 -3.494 1.527 -2.768 303 HG23 VAL 38 3HG2 VAL 38 -4.953 2.509 -2.638 304 H LYS 39 H LYS 39 -6.637 2.054 1.196 305 HA LYS 39 HA LYS 39 -6.218 -0.079 3.021 306 HB2 LYS 39 1HB LYS 39 -7.805 2.480 3.269 307 HB3 LYS 39 2HB LYS 39 -7.518 1.372 4.604 308 HG2 LYS 39 1HG LYS 39 -5.176 1.781 4.545 309 HG3 LYS 39 2HG LYS 39 -5.313 2.679 3.031 310 HD2 LYS 39 1HD LYS 39 -6.350 4.501 4.075 311 HD3 LYS 39 2HD LYS 39 -6.758 3.559 5.511 312 HE2 LYS 39 1HE LYS 39 -4.363 3.403 6.059 313 HE3 LYS 39 2HE LYS 39 -3.989 4.395 4.650 314 HZ1 LYS 39 1HZ LYS 39 -5.191 6.218 5.611 315 HZ2 LYS 39 2HZ LYS 39 -4.056 5.666 6.737 316 HZ3 LYS 39 3HZ LYS 39 -5.690 5.271 6.921 317 H GLY 40 H GLY 40 -9.097 1.209 1.405 318 HA2 GLY 40 1HA GLY 40 -10.994 -0.408 2.715 319 HA3 GLY 40 2HA GLY 40 -11.206 0.342 1.139 320 H LEU 41 H LEU 41 -8.754 -1.121 0.167 321 HA LEU 41 HA LEU 41 -10.101 -3.345 -0.950 322 HB2 LEU 41 1HB LEU 41 -8.403 -2.427 -2.262 323 HB3 LEU 41 2HB LEU 41 -7.252 -2.421 -0.927 324 HG LEU 41 HG LEU 41 -7.353 -4.983 -1.091 325 HD11 LEU 41 1HD1 LEU 41 -8.026 -5.931 -3.163 326 HD12 LEU 41 2HD1 LEU 41 -8.329 -4.342 -3.865 327 HD13 LEU 41 3HD1 LEU 41 -9.370 -4.950 -2.579 328 HD21 LEU 41 1HD2 LEU 41 -5.884 -2.997 -2.595 329 HD22 LEU 41 2HD2 LEU 41 -5.990 -4.526 -3.468 330 HD23 LEU 41 3HD2 LEU 41 -5.317 -4.486 -1.837 331 H LEU 42 H LEU 42 -7.336 -3.227 1.304 332 HA LEU 42 HA LEU 42 -7.520 -6.019 1.902 333 HB2 LEU 42 1HB LEU 42 -6.029 -3.821 3.329 334 HB3 LEU 42 2HB LEU 42 -5.807 -5.550 3.589 335 HG LEU 42 HG LEU 42 -5.369 -4.420 0.861 336 HD11 LEU 42 1HD1 LEU 42 -3.857 -2.985 1.677 337 HD12 LEU 42 2HD1 LEU 42 -2.865 -4.421 1.927 338 HD13 LEU 42 3HD1 LEU 42 -3.819 -3.767 3.258 339 HD21 LEU 42 1HD2 LEU 42 -5.267 -6.929 1.827 340 HD22 LEU 42 2HD2 LEU 42 -3.596 -6.430 2.089 341 HD23 LEU 42 3HD2 LEU 42 -4.294 -6.364 0.470 342 H SER 43 H SER 43 -9.006 -3.170 3.115 343 HA SER 43 HA SER 43 -9.527 -3.738 5.754 344 HB2 SER 43 1HB SER 43 -10.328 -1.664 5.118 345 HB3 SER 43 2HB SER 43 -11.045 -2.280 3.629 346 HG SER 43 HG SER 43 -12.011 -2.624 6.275 347 H ARG 44 H ARG 44 -11.159 -4.993 2.887 348 HA ARG 44 HA ARG 44 -13.097 -6.471 4.421 349 HB2 ARG 44 1HB ARG 44 -12.396 -6.463 1.484 350 HB3 ARG 44 2HB ARG 44 -13.667 -7.463 2.174 351 HG2 ARG 44 1HG ARG 44 -13.601 -4.467 2.422 352 HG3 ARG 44 2HG ARG 44 -14.430 -5.324 1.121 353 HD2 ARG 44 1HD ARG 44 -15.865 -6.437 2.705 354 HD3 ARG 44 2HD ARG 44 -14.970 -5.744 4.056 355 HE ARG 44 HE ARG 44 -15.883 -3.614 2.552 356 HH11 ARG 44 2HH1 ARG 44 -17.263 -6.268 4.333 357 HH12 ARG 44 1HH1 ARG 44 -18.715 -5.412 4.737 358 HH21 ARG 44 2HH2 ARG 44 -17.789 -2.477 3.077 359 HH22 ARG 44 1HH2 ARG 44 -19.013 -3.256 4.021 360 H LEU 45 H LEU 45 -9.900 -6.985 3.309 361 HA LEU 45 HA LEU 45 -10.003 -9.844 3.194 362 HB2 LEU 45 1HB LEU 45 -7.872 -7.770 3.089 363 HB3 LEU 45 2HB LEU 45 -7.408 -9.431 3.453 364 HG LEU 45 HG LEU 45 -8.368 -10.166 1.325 365 HD11 LEU 45 1HD1 LEU 45 -10.039 -8.208 1.315 366 HD12 LEU 45 2HD1 LEU 45 -9.366 -8.750 -0.222 367 HD13 LEU 45 3HD1 LEU 45 -8.735 -7.296 0.553 368 HD21 LEU 45 1HD2 LEU 45 -5.982 -9.176 1.643 369 HD22 LEU 45 2HD2 LEU 45 -6.600 -7.851 0.656 370 HD23 LEU 45 3HD2 LEU 45 -6.588 -9.496 0.017 371 H LEU 46 H LEU 46 -8.279 -7.662 5.433 372 HA LEU 46 HA LEU 46 -8.118 -9.768 7.412 373 HB2 LEU 46 1HB LEU 46 -7.239 -6.887 7.553 374 HB3 LEU 46 2HB LEU 46 -6.850 -8.144 8.726 375 HG LEU 46 HG LEU 46 -6.021 -8.486 5.876 376 HD11 LEU 46 1HD1 LEU 46 -4.492 -6.879 7.916 377 HD12 LEU 46 2HD1 LEU 46 -5.321 -6.214 6.509 378 HD13 LEU 46 3HD1 LEU 46 -3.953 -7.306 6.292 379 HD21 LEU 46 1HD2 LEU 46 -5.592 -10.387 7.148 380 HD22 LEU 46 2HD2 LEU 46 -5.122 -9.451 8.568 381 HD23 LEU 46 3HD2 LEU 46 -4.052 -9.527 7.167 382 H LYS 47 H LYS 47 -10.628 -8.081 6.524 383 HA LYS 47 HA LYS 47 -12.524 -7.258 7.487 384 HB2 LYS 47 1HB LYS 47 -11.892 -8.844 9.949 385 HB3 LYS 47 2HB LYS 47 -13.443 -8.591 9.159 386 HG2 LYS 47 1HG LYS 47 -11.197 -10.297 8.104 387 HG3 LYS 47 2HG LYS 47 -12.657 -10.885 8.903 388 HD2 LYS 47 1HD LYS 47 -12.779 -9.170 6.439 389 HD3 LYS 47 2HD LYS 47 -12.604 -10.924 6.343 390 HE2 LYS 47 1HE LYS 47 -14.813 -9.537 7.852 391 HE3 LYS 47 2HE LYS 47 -14.960 -10.078 6.181 392 HZ1 LYS 47 1HZ LYS 47 -15.072 -11.601 8.615 393 HZ2 LYS 47 2HZ LYS 47 -14.036 -12.277 7.461 394 HZ3 LYS 47 3HZ LYS 47 -15.656 -11.983 7.074 395 H VAL 48 H VAL 48 -10.423 -5.517 7.763 396 HA VAL 48 HA VAL 48 -10.820 -4.433 10.477 397 HB VAL 48 HB VAL 48 -8.417 -4.092 8.677 398 HG11 VAL 48 1HG1 VAL 48 -9.156 -2.133 10.182 399 HG12 VAL 48 2HG1 VAL 48 -8.611 -3.152 11.516 400 HG13 VAL 48 3HG1 VAL 48 -7.476 -2.665 10.256 401 HG21 VAL 48 1HG2 VAL 48 -8.890 -5.688 11.181 402 HG22 VAL 48 2HG2 VAL 48 -8.315 -6.255 9.613 403 HG23 VAL 48 3HG2 VAL 48 -7.274 -5.254 10.624 404 HA PRO 49 HA PRO 49 -12.740 -0.968 8.535 405 HB2 PRO 49 1HB PRO 49 -12.549 0.787 10.598 406 HB3 PRO 49 2HB PRO 49 -13.699 -0.555 10.582 407 HG2 PRO 49 1HG PRO 49 -11.037 -0.358 11.936 408 HG3 PRO 49 2HG PRO 49 -12.561 -1.020 12.555 409 HD2 PRO 49 1HD PRO 49 -10.568 -2.590 11.609 410 HD3 PRO 49 2HD PRO 49 -12.283 -3.026 11.455 411 H VAL 50 H VAL 50 -11.925 0.424 7.109 412 HA VAL 50 HA VAL 50 -9.306 1.023 6.681 413 HB VAL 50 HB VAL 50 -11.765 2.642 6.069 414 HG11 VAL 50 1HG1 VAL 50 -8.935 3.264 5.230 415 HG12 VAL 50 2HG1 VAL 50 -10.387 4.060 4.618 416 HG13 VAL 50 3HG1 VAL 50 -9.936 4.228 6.315 417 HG21 VAL 50 1HG2 VAL 50 -11.617 1.749 3.933 418 HG22 VAL 50 2HG2 VAL 50 -9.906 1.356 4.105 419 HG23 VAL 50 3HG2 VAL 50 -11.121 0.396 4.950 420 H SER 51 H SER 51 -11.372 2.365 9.104 421 HA SER 51 HA SER 51 -9.883 4.731 9.624 422 HB2 SER 51 1HB SER 51 -12.059 3.227 10.993 423 HB3 SER 51 2HB SER 51 -11.119 4.359 11.964 424 HG SER 51 HG SER 51 -12.718 5.574 11.125 425 H GLU 52 H GLU 52 -9.881 1.480 11.027 426 HA GLU 52 HA GLU 52 -7.762 2.156 12.878 427 HB2 GLU 52 1HB GLU 52 -9.051 -0.505 12.246 428 HB3 GLU 52 2HB GLU 52 -7.909 -0.215 13.550 429 HG2 GLU 52 1HG GLU 52 -9.473 1.313 14.607 430 HG3 GLU 52 2HG GLU 52 -10.612 1.081 13.283 431 H LEU 53 H LEU 53 -7.855 1.494 9.657 432 HA LEU 53 HA LEU 53 -5.476 -0.161 9.535 433 HB2 LEU 53 1HB LEU 53 -7.413 0.940 7.560 434 HB3 LEU 53 2HB LEU 53 -5.810 0.470 6.999 435 HG LEU 53 HG LEU 53 -7.706 -1.379 8.442 436 HD11 LEU 53 1HD1 LEU 53 -8.857 -1.189 6.499 437 HD12 LEU 53 2HD1 LEU 53 -7.647 -2.355 5.964 438 HD13 LEU 53 3HD1 LEU 53 -7.450 -0.644 5.586 439 HD21 LEU 53 1HD2 LEU 53 -5.651 -2.343 8.731 440 HD22 LEU 53 2HD2 LEU 53 -4.987 -1.637 7.258 441 HD23 LEU 53 3HD2 LEU 53 -6.089 -3.011 7.159 442 H LEU 54 H LEU 54 -3.458 0.568 9.356 443 HA LEU 54 HA LEU 54 -3.047 3.377 8.571 444 HB2 LEU 54 1HB LEU 54 -1.450 1.878 10.640 445 HB3 LEU 54 2HB LEU 54 -1.268 3.571 10.184 446 HG LEU 54 HG LEU 54 -3.870 2.637 11.313 447 HD11 LEU 54 1HD1 LEU 54 -2.099 1.745 12.799 448 HD12 LEU 54 2HD1 LEU 54 -3.100 2.979 13.564 449 HD13 LEU 54 3HD1 LEU 54 -1.482 3.386 12.993 450 HD21 LEU 54 1HD2 LEU 54 -3.230 4.984 10.348 451 HD22 LEU 54 2HD2 LEU 54 -2.472 5.200 11.926 452 HD23 LEU 54 3HD2 LEU 54 -4.199 4.854 11.817 453 H LEU 55 H LEU 55 -2.245 3.190 6.562 454 HA LEU 55 HA LEU 55 -0.360 1.086 5.902 455 HB2 LEU 55 1HB LEU 55 -1.968 3.068 4.417 456 HB3 LEU 55 2HB LEU 55 -0.431 2.610 3.687 457 HG LEU 55 HG LEU 55 -1.105 0.357 3.451 458 HD11 LEU 55 1HD1 LEU 55 -2.175 -0.417 5.283 459 HD12 LEU 55 2HD1 LEU 55 -3.603 -0.084 4.305 460 HD13 LEU 55 3HD1 LEU 55 -3.080 1.077 5.525 461 HD21 LEU 55 1HD2 LEU 55 -2.221 1.016 1.647 462 HD22 LEU 55 2HD2 LEU 55 -2.752 2.496 2.446 463 HD23 LEU 55 3HD2 LEU 55 -3.689 1.012 2.625 464 H SER 56 H SER 56 1.789 1.326 5.553 465 HA SER 56 HA SER 56 2.955 4.001 5.529 466 HB2 SER 56 1HB SER 56 4.708 3.070 7.222 467 HB3 SER 56 2HB SER 56 3.164 3.670 7.829 468 HG SER 56 HG SER 56 2.447 1.438 7.745 469 H TYR 57 H TYR 57 4.344 4.091 3.904 470 HA TYR 57 HA TYR 57 5.518 1.603 2.895 471 HB2 TYR 57 1HB TYR 57 5.607 2.566 0.805 472 HB3 TYR 57 2HB TYR 57 4.213 3.406 1.476 473 HD1 TYR 57 1HD TYR 57 4.630 5.707 2.544 474 HD2 TYR 57 2HD TYR 57 7.431 3.774 -0.010 475 HE1 TYR 57 1HE TYR 57 5.722 7.869 2.116 476 HE2 TYR 57 2HE TYR 57 8.532 5.930 -0.444 477 HH TYR 57 HH TYR 57 7.361 8.928 1.065 478 H GLU 58 H GLU 58 7.716 1.342 2.603 479 HA GLU 58 HA GLU 58 9.390 3.186 4.152 480 HB2 GLU 58 1HB GLU 58 9.238 0.581 4.497 481 HB3 GLU 58 2HB GLU 58 10.365 0.543 3.149 482 HG2 GLU 58 1HG GLU 58 12.032 1.628 4.344 483 HG3 GLU 58 2HG GLU 58 10.898 2.264 5.534 484 H SER 59 H SER 59 10.460 4.664 3.033 485 HA SER 59 HA SER 59 10.718 4.813 0.290 486 HB2 SER 59 1HB SER 59 12.851 6.254 0.974 487 HB3 SER 59 2HB SER 59 11.212 6.827 1.283 488 HG SER 59 HG SER 59 11.603 6.719 3.338 489 H SER 60 H SER 60 12.424 4.425 -1.164 490 HA SER 60 HA SER 60 13.939 2.037 -0.551 491 HB2 SER 60 1HB SER 60 14.656 2.265 -2.978 492 HB3 SER 60 2HB SER 60 12.924 2.064 -2.710 493 HG SER 60 HG SER 60 14.356 4.349 -3.495 494 H LYS 61 H LYS 61 14.448 5.216 0.010 495 HA LYS 61 HA LYS 61 17.364 4.982 -0.354 496 HB2 LYS 61 1HB LYS 61 17.413 7.458 -0.378 497 HB3 LYS 61 2HB LYS 61 16.474 6.784 -1.704 498 HG2 LYS 61 1HG LYS 61 15.062 7.556 0.798 499 HG3 LYS 61 2HG LYS 61 15.591 8.821 -0.314 500 HD2 LYS 61 1HD LYS 61 14.128 6.474 -1.419 501 HD3 LYS 61 2HD LYS 61 13.213 7.700 -0.539 502 HE2 LYS 61 1HE LYS 61 13.887 9.405 -2.047 503 HE3 LYS 61 2HE LYS 61 15.097 8.361 -2.792 504 HZ1 LYS 61 1HZ LYS 61 12.276 7.550 -2.868 505 HZ2 LYS 61 2HZ LYS 61 13.520 7.216 -3.964 506 HZ3 LYS 61 3HZ LYS 61 12.808 8.750 -3.935 507 H MET 62 H MET 62 14.759 5.608 1.848 508 HA MET 62 HA MET 62 16.711 6.024 4.016 509 HB2 MET 62 1HB MET 62 14.857 7.805 3.385 510 HB3 MET 62 2HB MET 62 13.834 6.750 4.351 511 HG2 MET 62 1HG MET 62 14.584 8.355 5.853 512 HG3 MET 62 2HG MET 62 15.620 6.962 6.158 513 HE1 MET 62 1HE MET 62 15.065 9.956 4.090 514 HE2 MET 62 2HE MET 62 16.083 11.014 5.067 515 HE3 MET 62 3HE MET 62 16.649 10.451 3.493 516 HA PRO 63 HA PRO 63 14.776 1.886 4.725 517 HB2 PRO 63 1HB PRO 63 17.075 0.711 5.564 518 HB3 PRO 63 2HB PRO 63 16.624 0.830 3.859 519 HG2 PRO 63 1HG PRO 63 18.504 2.536 5.446 520 HG3 PRO 63 2HG PRO 63 18.695 1.888 3.806 521 HD2 PRO 63 1HD PRO 63 17.946 4.446 4.283 522 HD3 PRO 63 2HD PRO 63 17.384 3.535 2.867 523 H GLY 64 H GLY 64 13.898 1.318 6.630 524 HA2 GLY 64 1HA GLY 64 13.992 0.885 8.972 525 HA3 GLY 64 2HA GLY 64 15.263 2.090 9.114 526 H ARG 65 H ARG 65 13.562 3.876 7.315 527 HA ARG 65 HA ARG 65 11.769 4.818 9.452 528 HB2 ARG 65 1HB ARG 65 13.802 6.225 8.570 529 HB3 ARG 65 2HB ARG 65 12.718 6.590 7.234 530 HG2 ARG 65 1HG ARG 65 11.038 7.288 9.036 531 HG3 ARG 65 2HG ARG 65 12.422 7.284 10.131 532 HD2 ARG 65 1HD ARG 65 12.328 8.827 7.546 533 HD3 ARG 65 2HD ARG 65 11.886 9.508 9.111 534 HE ARG 65 HE ARG 65 14.484 8.334 9.150 535 HH11 ARG 65 2HH1 ARG 65 12.704 11.171 8.202 536 HH12 ARG 65 1HH1 ARG 65 14.073 12.228 8.316 537 HH21 ARG 65 2HH2 ARG 65 16.294 9.714 9.304 538 HH22 ARG 65 1HH2 ARG 65 16.114 11.398 8.942 539 H GLU 66 H GLU 66 9.694 4.462 9.055 540 HA GLU 66 HA GLU 66 8.784 4.274 6.272 541 HB2 GLU 66 1HB GLU 66 6.888 3.056 7.092 542 HB3 GLU 66 2HB GLU 66 8.330 2.372 7.828 543 HG2 GLU 66 1HG GLU 66 7.808 3.928 9.803 544 HG3 GLU 66 2HG GLU 66 6.209 4.071 9.077 545 H ILE 67 H ILE 67 7.056 5.472 5.504 546 HA ILE 67 HA ILE 67 6.455 7.885 7.061 547 HB ILE 67 HB ILE 67 6.082 7.328 4.116 548 HG12 ILE 67 1HG1 ILE 67 7.808 9.341 4.150 549 HG13 ILE 67 2HG1 ILE 67 8.187 8.689 5.741 550 HG21 ILE 67 1HG2 ILE 67 4.726 9.164 5.723 551 HG22 ILE 67 2HG2 ILE 67 5.956 10.101 4.877 552 HG23 ILE 67 3HG2 ILE 67 4.799 9.136 3.961 553 HD11 ILE 67 1HD1 ILE 67 8.264 6.434 4.289 554 HD12 ILE 67 2HD1 ILE 67 8.748 7.609 3.065 555 HD13 ILE 67 3HD1 ILE 67 9.663 7.471 4.567 556 H GLU 68 H GLU 68 4.729 7.493 8.330 557 HA GLU 68 HA GLU 68 2.577 5.791 7.652 558 HB2 GLU 68 1HB GLU 68 1.507 6.604 9.642 559 HB3 GLU 68 2HB GLU 68 3.223 6.426 9.976 560 HG2 GLU 68 1HG GLU 68 2.902 8.459 10.907 561 HG3 GLU 68 2HG GLU 68 3.242 8.977 9.257 562 H LEU 69 H LEU 69 1.171 6.150 6.073 563 HA LEU 69 HA LEU 69 0.644 8.790 5.069 564 HB2 LEU 69 1HB LEU 69 -0.935 6.350 4.349 565 HB3 LEU 69 2HB LEU 69 -0.559 7.758 3.359 566 HG LEU 69 HG LEU 69 1.612 5.888 4.234 567 HD11 LEU 69 1HD1 LEU 69 1.301 4.545 2.282 568 HD12 LEU 69 2HD1 LEU 69 -0.038 5.554 1.737 569 HD13 LEU 69 3HD1 LEU 69 -0.215 4.561 3.183 570 HD21 LEU 69 1HD2 LEU 69 2.237 8.033 3.250 571 HD22 LEU 69 2HD2 LEU 69 1.250 7.677 1.832 572 HD23 LEU 69 3HD2 LEU 69 2.671 6.694 2.188 573 H GLU 70 H GLU 70 -0.685 10.145 6.065 574 HA GLU 70 HA GLU 70 -2.965 9.062 7.566 575 HB2 GLU 70 1HB GLU 70 -3.046 11.290 8.649 576 HB3 GLU 70 2HB GLU 70 -1.512 10.466 8.892 577 HG2 GLU 70 1HG GLU 70 -0.428 11.847 7.284 578 HG3 GLU 70 2HG GLU 70 -1.961 12.552 6.775 579 H ASN 71 H ASN 71 -2.097 10.994 4.833 580 HA ASN 71 HA ASN 71 -4.703 12.190 4.521 581 HB2 ASN 71 1HB ASN 71 -2.143 12.218 2.970 582 HB3 ASN 71 2HB ASN 71 -3.631 12.718 2.171 583 HD21 ASN 71 1HD2 ASN 71 -4.608 14.620 2.753 584 HD22 ASN 71 2HD2 ASN 71 -3.859 15.785 3.786 585 H ASP 72 H ASP 72 -6.286 10.727 4.173 586 HA ASP 72 HA ASP 72 -5.900 8.485 2.390 587 HB2 ASP 72 1HB ASP 72 -8.586 9.282 3.444 588 HB3 ASP 72 2HB ASP 72 -7.923 7.672 3.177 589 H LEU 73 H LEU 73 -6.473 11.678 1.896 590 HA LEU 73 HA LEU 73 -8.215 11.233 -0.429 591 HB2 LEU 73 1HB LEU 73 -7.582 13.643 1.234 592 HB3 LEU 73 2HB LEU 73 -8.244 13.817 -0.390 593 HG LEU 73 HG LEU 73 -9.564 12.441 1.948 594 HD11 LEU 73 1HD1 LEU 73 -9.415 15.134 1.326 595 HD12 LEU 73 2HD1 LEU 73 -10.598 14.361 2.380 596 HD13 LEU 73 3HD1 LEU 73 -10.974 14.626 0.677 597 HD21 LEU 73 1HD2 LEU 73 -11.517 12.626 0.167 598 HD22 LEU 73 2HD2 LEU 73 -10.444 11.227 0.234 599 HD23 LEU 73 3HD2 LEU 73 -10.165 12.498 -0.958 600 H GLN 74 H GLN 74 -5.128 10.976 0.056 601 HA GLN 74 HA GLN 74 -4.376 12.422 -2.399 602 HB2 GLN 74 1HB GLN 74 -2.671 11.885 0.038 603 HB3 GLN 74 2HB GLN 74 -2.079 12.578 -1.466 604 HG2 GLN 74 1HG GLN 74 -4.356 13.884 -0.059 605 HG3 GLN 74 2HG GLN 74 -2.716 14.104 0.551 606 HE21 GLN 74 1HE2 GLN 74 -3.865 16.325 -0.171 607 HE22 GLN 74 2HE2 GLN 74 -3.307 16.895 -1.703 608 HA PRO 75 HA PRO 75 -3.319 8.485 -4.060 609 HB2 PRO 75 1HB PRO 75 -1.606 9.293 -6.005 610 HB3 PRO 75 2HB PRO 75 -3.356 9.513 -6.115 611 HG2 PRO 75 1HG PRO 75 -1.247 11.481 -5.315 612 HG3 PRO 75 2HG PRO 75 -2.655 11.715 -6.368 613 HD2 PRO 75 1HD PRO 75 -2.621 12.514 -3.780 614 HD3 PRO 75 2HD PRO 75 -4.101 11.961 -4.589 615 H LEU 76 H LEU 76 -1.302 7.227 -4.722 616 HA LEU 76 HA LEU 76 0.509 7.208 -2.520 617 HB2 LEU 76 1HB LEU 76 0.399 5.666 -5.100 618 HB3 LEU 76 2HB LEU 76 1.659 5.417 -3.892 619 HG LEU 76 HG LEU 76 -0.088 3.716 -3.743 620 HD11 LEU 76 1HD1 LEU 76 -0.048 5.629 -1.413 621 HD12 LEU 76 2HD1 LEU 76 1.101 4.327 -1.721 622 HD13 LEU 76 3HD1 LEU 76 -0.581 3.948 -1.350 623 HD21 LEU 76 1HD2 LEU 76 -1.891 5.344 -4.553 624 HD22 LEU 76 2HD2 LEU 76 -2.003 5.856 -2.869 625 HD23 LEU 76 3HD2 LEU 76 -2.337 4.179 -3.306 626 H GLN 77 H GLN 77 0.643 8.362 -5.827 627 HA GLN 77 HA GLN 77 3.423 8.745 -6.015 628 HB2 GLN 77 1HB GLN 77 2.170 8.818 -8.026 629 HB3 GLN 77 2HB GLN 77 1.087 10.052 -7.395 630 HG2 GLN 77 1HG GLN 77 2.971 11.647 -7.383 631 HG3 GLN 77 2HG GLN 77 3.986 10.407 -8.118 632 HE21 GLN 77 1HE2 GLN 77 0.937 12.139 -8.594 633 HE22 GLN 77 2HE2 GLN 77 1.041 12.207 -10.317 634 H PHE 78 H PHE 78 0.950 10.519 -4.384 635 HA PHE 78 HA PHE 78 2.255 13.024 -4.216 636 HB2 PHE 78 1HB PHE 78 -0.100 12.912 -3.767 637 HB3 PHE 78 2HB PHE 78 0.145 11.734 -2.482 638 HD1 PHE 78 2HD PHE 78 1.020 15.224 -3.432 639 HD2 PHE 78 1HD PHE 78 0.284 12.447 -0.291 640 HE1 PHE 78 2HE PHE 78 1.152 17.051 -1.790 641 HE2 PHE 78 1HE PHE 78 0.414 14.271 1.356 642 HZ PHE 78 HZ PHE 78 0.850 16.576 0.607 643 H TYR 79 H TYR 79 2.853 10.031 -2.718 644 HA TYR 79 HA TYR 79 4.393 11.298 -0.559 645 HB2 TYR 79 1HB TYR 79 3.238 8.540 -0.894 646 HB3 TYR 79 2HB TYR 79 4.502 8.863 0.288 647 HD1 TYR 79 1HD TYR 79 1.017 9.596 -0.657 648 HD2 TYR 79 2HD TYR 79 4.029 10.049 2.314 649 HE1 TYR 79 1HE TYR 79 -0.687 10.358 0.946 650 HE2 TYR 79 2HE TYR 79 2.334 10.812 3.925 651 HH TYR 79 HH TYR 79 -1.018 10.518 3.343 652 H SER 80 H SER 80 5.111 10.917 -3.483 653 HA SER 80 HA SER 80 6.959 10.439 -4.722 654 HB2 SER 80 1HB SER 80 7.948 11.637 -2.621 655 HB3 SER 80 2HB SER 80 8.542 10.030 -2.203 656 HG SER 80 HG SER 80 9.274 10.165 -4.591 657 H VAL 81 H VAL 81 5.219 8.269 -3.783 658 HA VAL 81 HA VAL 81 6.926 6.003 -3.274 659 HB VAL 81 HB VAL 81 3.994 6.069 -4.004 660 HG11 VAL 81 1HG1 VAL 81 5.162 3.831 -2.469 661 HG12 VAL 81 2HG1 VAL 81 3.892 3.830 -3.695 662 HG13 VAL 81 3HG1 VAL 81 5.586 3.918 -4.178 663 HG21 VAL 81 1HG2 VAL 81 3.506 6.566 -1.886 664 HG22 VAL 81 2HG2 VAL 81 4.663 5.389 -1.264 665 HG23 VAL 81 3HG2 VAL 81 5.202 7.011 -1.698 666 H GLU 82 H GLU 82 7.841 4.697 -4.725 667 HA GLU 82 HA GLU 82 6.819 4.685 -7.477 668 HB2 GLU 82 1HB GLU 82 9.132 4.726 -8.340 669 HB3 GLU 82 2HB GLU 82 8.711 6.203 -7.485 670 HG2 GLU 82 1HG GLU 82 10.028 5.639 -5.631 671 HG3 GLU 82 2HG GLU 82 10.170 3.958 -6.139 672 H ASN 83 H ASN 83 7.450 2.804 -8.718 673 HA ASN 83 HA ASN 83 6.977 0.398 -7.563 674 HB2 ASN 83 1HB ASN 83 8.290 -0.614 -9.489 675 HB3 ASN 83 2HB ASN 83 7.020 0.520 -9.937 676 HD21 ASN 83 1HD2 ASN 83 7.897 1.102 -11.874 677 HD22 ASN 83 2HD2 ASN 83 9.360 2.009 -12.020 678 H GLY 84 H GLY 84 8.067 -1.148 -6.455 679 HA2 GLY 84 1HA GLY 84 10.147 -2.263 -5.887 680 HA3 GLY 84 2HA GLY 84 10.943 -0.698 -5.973 681 H ASP 85 H ASP 85 9.182 0.850 -4.485 682 HA ASP 85 HA ASP 85 10.079 0.613 -1.923 683 HB2 ASP 85 1HB ASP 85 7.497 1.741 -2.986 684 HB3 ASP 85 2HB ASP 85 7.904 1.825 -1.274 685 H CYS 86 H CYS 86 8.682 0.171 0.074 686 HA CYS 86 HA CYS 86 7.284 -2.396 -0.299 687 HB2 CYS 86 1HB CYS 86 9.153 -1.472 1.872 688 HB3 CYS 86 2HB CYS 86 8.026 -2.797 2.137 689 HG CYS 86 HG CYS 86 10.870 -2.729 0.351 690 H LEU 87 H LEU 87 5.388 -2.752 0.811 691 HA LEU 87 HA LEU 87 4.188 -0.363 2.031 692 HB2 LEU 87 1HB LEU 87 2.912 -2.801 0.802 693 HB3 LEU 87 2HB LEU 87 2.024 -1.493 1.581 694 HG LEU 87 HG LEU 87 3.756 -1.144 -0.864 695 HD11 LEU 87 1HD1 LEU 87 1.342 -0.792 -1.848 696 HD12 LEU 87 2HD1 LEU 87 0.894 -1.887 -0.540 697 HD13 LEU 87 3HD1 LEU 87 2.066 -2.398 -1.754 698 HD21 LEU 87 1HD2 LEU 87 3.359 0.838 0.629 699 HD22 LEU 87 2HD2 LEU 87 1.640 0.675 0.270 700 HD23 LEU 87 3HD2 LEU 87 2.784 1.018 -1.028 701 H LEU 88 H LEU 88 3.777 -0.342 4.140 702 HA LEU 88 HA LEU 88 3.869 -2.895 5.602 703 HB2 LEU 88 1HB LEU 88 4.327 -0.137 6.719 704 HB3 LEU 88 2HB LEU 88 4.611 -1.678 7.525 705 HG LEU 88 HG LEU 88 6.134 -1.029 5.040 706 HD11 LEU 88 1HD1 LEU 88 7.724 0.269 6.141 707 HD12 LEU 88 2HD1 LEU 88 7.108 -0.158 7.737 708 HD13 LEU 88 3HD1 LEU 88 6.185 0.927 6.699 709 HD21 LEU 88 1HD2 LEU 88 6.120 -3.071 7.013 710 HD22 LEU 88 2HD2 LEU 88 7.655 -2.209 7.124 711 HD23 LEU 88 3HD2 LEU 88 7.151 -2.921 5.590 712 H VAL 89 H VAL 89 1.903 -3.606 6.089 713 HA VAL 89 HA VAL 89 -0.251 -1.687 6.589 714 HB VAL 89 HB VAL 89 -0.371 -4.683 6.214 715 HG11 VAL 89 1HG1 VAL 89 -2.768 -4.437 6.137 716 HG12 VAL 89 2HG1 VAL 89 -2.166 -3.771 7.657 717 HG13 VAL 89 3HG1 VAL 89 -2.631 -2.691 6.342 718 HG21 VAL 89 1HG2 VAL 89 0.030 -2.711 4.317 719 HG22 VAL 89 2HG2 VAL 89 -0.557 -4.347 4.016 720 HG23 VAL 89 3HG2 VAL 89 -1.703 -3.025 4.239 721 H ARG 90 H ARG 90 -0.944 -1.252 8.576 722 HA ARG 90 HA ARG 90 -0.719 -3.241 10.687 723 HB2 ARG 90 1HB ARG 90 1.396 -2.057 10.868 724 HB3 ARG 90 2HB ARG 90 0.561 -0.509 10.873 725 HG2 ARG 90 1HG ARG 90 -0.571 -1.247 12.992 726 HG3 ARG 90 2HG ARG 90 0.532 -2.624 13.008 727 HD2 ARG 90 1HD ARG 90 2.419 -0.948 12.878 728 HD3 ARG 90 2HD ARG 90 1.214 0.302 13.187 729 HE ARG 90 HE ARG 90 0.888 -1.558 15.188 730 HH11 ARG 90 2HH1 ARG 90 3.462 0.483 14.034 731 HH12 ARG 90 1HH1 ARG 90 4.208 0.643 15.590 732 HH21 ARG 90 2HH2 ARG 90 1.861 -1.354 17.241 733 HH22 ARG 90 1HH2 ARG 90 3.297 -0.403 17.413 734 H TRP 91 H TRP 91 -2.012 -2.750 12.550 735 HA TRP 91 HA TRP 91 -3.807 -0.470 12.385 736 HB2 TRP 91 1HB TRP 91 -5.831 -1.886 12.561 737 HB3 TRP 91 2HB TRP 91 -4.978 -2.122 11.038 738 HD1 TRP 91 HD TRP 91 -5.807 -3.915 14.316 739 HE1 TRP 91 1HE TRP 91 -5.346 -6.430 14.016 740 HE3 TRP 91 3HE TRP 91 -3.570 -3.789 9.720 741 HZ2 TRP 91 2HZ TRP 91 -4.187 -8.134 12.087 742 HZ3 TRP 91 3HZ TRP 91 -2.814 -5.905 8.718 743 HH2 TRP 91 HH TRP 91 -3.116 -8.031 9.879 744 H SER 92 H SER 92 -4.819 0.038 14.343 745 HA SER 92 HA SER 92 -3.495 -1.088 16.673 746 HB2 SER 92 1HB SER 92 -3.641 1.343 16.501 747 HB3 SER 92 2HB SER 92 -5.399 1.251 16.404 748 HG SER 92 HG SER 92 -3.916 1.412 18.573 749 H GLY 93 H GLY 93 -4.358 -2.636 17.879 750 HA2 GLY 93 1HA GLY 93 -6.321 -3.240 19.265 751 HA3 GLY 93 2HA GLY 93 -7.296 -2.959 17.830 752 HA PRO 94 HA PRO 94 -4.776 -7.029 17.051 753 HB2 PRO 94 1HB PRO 94 -3.567 -8.109 19.229 754 HB3 PRO 94 2HB PRO 94 -2.759 -6.967 18.149 755 HG2 PRO 94 1HG PRO 94 -4.065 -6.470 20.796 756 HG3 PRO 94 2HG PRO 94 -2.528 -5.844 20.172 757 HD2 PRO 94 1HD PRO 94 -4.804 -4.377 20.176 758 HD3 PRO 94 2HD PRO 94 -3.558 -4.203 18.923 759 H SER 95 H SER 95 -5.958 -8.850 16.961 760 HA SER 95 HA SER 95 -8.075 -9.214 18.924 761 HB2 SER 95 1HB SER 95 -8.379 -9.329 16.365 762 HB3 SER 95 2HB SER 95 -7.640 -10.925 16.483 763 HG SER 95 HG SER 95 -9.909 -11.053 16.619 764 H SER 96 H SER 96 -8.443 -11.151 20.048 765 HA SER 96 HA SER 96 -6.417 -12.317 21.388 766 HB2 SER 96 1HB SER 96 -8.796 -12.717 21.894 767 HB3 SER 96 2HB SER 96 -8.919 -13.763 20.481 768 HG SER 96 HG SER 96 -7.740 -15.276 21.472 769 H GLY 97 H GLY 97 -7.748 -13.517 18.317 770 HA2 GLY 97 1HA GLY 97 -5.196 -14.533 17.507 771 HA3 GLY 97 2HA GLY 97 -6.293 -15.821 17.985 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -2.171 -3.571 -25.478 2 HA2 GLY 1 1HA GLY 1 -3.397 -3.335 -22.798 3 HA3 GLY 1 2HA GLY 1 -1.683 -3.092 -23.100 4 H SER 2 H SER 2 -3.182 -1.185 -21.790 5 HA SER 2 HA SER 2 -3.400 0.950 -23.811 6 HB2 SER 2 1HB SER 2 -4.881 0.675 -21.185 7 HB3 SER 2 2HB SER 2 -4.984 2.069 -22.260 8 HG SER 2 HG SER 2 -5.720 0.544 -23.891 9 H SER 3 H SER 3 -1.482 1.965 -23.737 10 HA SER 3 HA SER 3 -0.470 2.790 -21.094 11 HB2 SER 3 1HB SER 3 1.023 1.236 -22.358 12 HB3 SER 3 2HB SER 3 1.135 2.444 -23.638 13 HG SER 3 HG SER 3 2.143 2.533 -21.012 14 H GLY 4 H GLY 4 0.075 4.912 -20.756 15 HA2 GLY 4 1HA GLY 4 0.725 6.981 -22.231 16 HA3 GLY 4 2HA GLY 4 -0.940 6.792 -22.761 17 H SER 5 H SER 5 -2.154 6.104 -20.353 18 HA SER 5 HA SER 5 -2.506 8.664 -19.191 19 HB2 SER 5 1HB SER 5 -4.185 7.680 -17.874 20 HB3 SER 5 2HB SER 5 -4.185 6.705 -19.343 21 HG SER 5 HG SER 5 -3.056 5.116 -18.269 22 H SER 6 H SER 6 -1.839 9.503 -17.254 23 HA SER 6 HA SER 6 0.666 8.816 -16.271 24 HB2 SER 6 1HB SER 6 -0.163 11.016 -15.851 25 HB3 SER 6 2HB SER 6 -1.586 10.392 -15.017 26 HG SER 6 HG SER 6 0.902 9.670 -13.999 27 H GLY 7 H GLY 7 -2.535 7.797 -15.220 28 HA2 GLY 7 1HA GLY 7 -1.868 6.610 -12.783 29 HA3 GLY 7 2HA GLY 7 -3.207 6.117 -13.808 30 H GLN 8 H GLN 8 0.134 5.543 -12.968 31 HA GLN 8 HA GLN 8 0.105 3.087 -14.586 32 HB2 GLN 8 1HB GLN 8 2.551 3.116 -14.398 33 HB3 GLN 8 2HB GLN 8 1.944 4.605 -15.110 34 HG2 GLN 8 1HG GLN 8 2.047 5.497 -12.672 35 HG3 GLN 8 2HG GLN 8 3.154 4.147 -12.424 36 HE21 GLN 8 1HE2 GLN 8 2.796 7.308 -13.560 37 HE22 GLN 8 2HE2 GLN 8 4.372 7.506 -14.240 38 H LEU 9 H LEU 9 0.662 1.112 -13.668 39 HA LEU 9 HA LEU 9 0.074 0.884 -10.851 40 HB2 LEU 9 1HB LEU 9 0.404 -0.985 -13.134 41 HB3 LEU 9 2HB LEU 9 0.660 -1.621 -11.511 42 HG LEU 9 HG LEU 9 -1.713 -0.428 -11.141 43 HD11 LEU 9 1HD1 LEU 9 -2.419 0.340 -13.140 44 HD12 LEU 9 2HD1 LEU 9 -2.919 -1.337 -13.361 45 HD13 LEU 9 3HD1 LEU 9 -1.399 -0.772 -14.054 46 HD21 LEU 9 1HD2 LEU 9 -2.716 -2.623 -11.406 47 HD22 LEU 9 2HD2 LEU 9 -1.128 -2.763 -10.652 48 HD23 LEU 9 3HD2 LEU 9 -1.332 -3.163 -12.358 49 H LEU 10 H LEU 10 1.462 0.426 -9.228 50 HA LEU 10 HA LEU 10 4.317 0.274 -9.927 51 HB2 LEU 10 1HB LEU 10 3.423 0.936 -7.174 52 HB3 LEU 10 2HB LEU 10 4.839 1.490 -8.064 53 HG LEU 10 HG LEU 10 2.006 2.478 -8.366 54 HD11 LEU 10 1HD1 LEU 10 3.696 3.170 -6.440 55 HD12 LEU 10 2HD1 LEU 10 2.619 4.335 -7.211 56 HD13 LEU 10 3HD1 LEU 10 4.307 4.228 -7.712 57 HD21 LEU 10 1HD2 LEU 10 3.578 2.276 -10.463 58 HD22 LEU 10 2HD2 LEU 10 4.326 3.713 -9.767 59 HD23 LEU 10 3HD2 LEU 10 2.613 3.726 -10.188 60 H THR 11 H THR 11 5.634 -1.257 -8.974 61 HA THR 11 HA THR 11 4.229 -3.578 -7.888 62 HB THR 11 HB THR 11 7.128 -3.367 -8.719 63 HG1 THR 11 1HG THR 11 5.367 -3.054 -10.382 64 HG21 THR 11 1HG2 THR 11 7.145 -5.307 -7.540 65 HG22 THR 11 2HG2 THR 11 6.459 -5.954 -9.031 66 HG23 THR 11 3HG2 THR 11 5.402 -5.534 -7.684 67 H LEU 12 H LEU 12 3.992 -3.578 -5.746 68 HA LEU 12 HA LEU 12 6.349 -2.968 -4.096 69 HB2 LEU 12 1HB LEU 12 3.542 -2.293 -3.265 70 HB3 LEU 12 2HB LEU 12 5.052 -1.802 -2.500 71 HG LEU 12 HG LEU 12 4.493 -0.887 -5.281 72 HD11 LEU 12 1HD1 LEU 12 3.566 1.092 -3.487 73 HD12 LEU 12 2HD1 LEU 12 2.716 -0.407 -3.114 74 HD13 LEU 12 3HD1 LEU 12 2.669 0.250 -4.750 75 HD21 LEU 12 1HD2 LEU 12 5.723 1.082 -4.480 76 HD22 LEU 12 2HD2 LEU 12 6.648 -0.406 -4.275 77 HD23 LEU 12 3HD2 LEU 12 5.855 0.339 -2.885 78 H LYS 13 H LYS 13 6.171 -3.897 -1.874 79 HA LYS 13 HA LYS 13 4.869 -6.532 -2.010 80 HB2 LYS 13 1HB LYS 13 7.152 -5.729 -0.205 81 HB3 LYS 13 2HB LYS 13 6.563 -7.355 -0.527 82 HG2 LYS 13 1HG LYS 13 7.822 -5.567 -2.596 83 HG3 LYS 13 2HG LYS 13 8.688 -6.800 -1.676 84 HD2 LYS 13 1HD LYS 13 6.254 -7.414 -3.338 85 HD3 LYS 13 2HD LYS 13 7.894 -7.471 -3.988 86 HE2 LYS 13 1HE LYS 13 6.950 -9.038 -1.591 87 HE3 LYS 13 2HE LYS 13 7.027 -9.678 -3.232 88 HZ1 LYS 13 1HZ LYS 13 8.982 -10.288 -1.959 89 HZ2 LYS 13 2HZ LYS 13 9.334 -8.661 -1.660 90 HZ3 LYS 13 3HZ LYS 13 9.411 -9.267 -3.238 91 H ILE 14 H ILE 14 3.264 -6.976 -0.649 92 HA ILE 14 HA ILE 14 2.574 -5.028 1.399 93 HB ILE 14 HB ILE 14 1.117 -7.395 0.246 94 HG12 ILE 14 1HG1 ILE 14 -0.575 -5.374 -0.029 95 HG13 ILE 14 2HG1 ILE 14 0.898 -4.419 0.104 96 HG21 ILE 14 1HG2 ILE 14 0.533 -5.840 2.732 97 HG22 ILE 14 2HG2 ILE 14 -0.784 -6.508 1.769 98 HG23 ILE 14 3HG2 ILE 14 0.440 -7.578 2.452 99 HD11 ILE 14 1HD1 ILE 14 1.253 -6.589 -1.749 100 HD12 ILE 14 2HD1 ILE 14 -0.144 -5.603 -2.182 101 HD13 ILE 14 3HD1 ILE 14 1.441 -4.853 -1.995 102 H LYS 15 H LYS 15 3.062 -5.267 3.472 103 HA LYS 15 HA LYS 15 3.476 -7.976 4.536 104 HB2 LYS 15 1HB LYS 15 5.656 -6.800 4.043 105 HB3 LYS 15 2HB LYS 15 5.210 -5.612 5.261 106 HG2 LYS 15 1HG LYS 15 4.991 -7.594 6.858 107 HG3 LYS 15 2HG LYS 15 5.859 -8.515 5.627 108 HD2 LYS 15 1HD LYS 15 7.799 -7.271 5.882 109 HD3 LYS 15 2HD LYS 15 6.945 -5.897 6.587 110 HE2 LYS 15 1HE LYS 15 6.425 -7.457 8.544 111 HE3 LYS 15 2HE LYS 15 7.655 -8.522 7.865 112 HZ1 LYS 15 1HZ LYS 15 8.943 -6.181 7.900 113 HZ2 LYS 15 2HZ LYS 15 9.019 -7.317 9.150 114 HZ3 LYS 15 3HZ LYS 15 7.957 -6.006 9.263 115 H CYS 16 H CYS 16 1.610 -8.078 5.698 116 HA CYS 16 HA CYS 16 0.502 -5.944 7.173 117 HB2 CYS 16 1HB CYS 16 0.111 -8.933 7.363 118 HB3 CYS 16 2HB CYS 16 -0.820 -7.777 8.308 119 HG CYS 16 HG CYS 16 -1.080 -6.721 5.287 120 H SER 17 H SER 17 1.619 -4.967 8.743 121 HA SER 17 HA SER 17 3.598 -6.178 10.333 122 HB2 SER 17 1HB SER 17 3.279 -3.694 9.899 123 HB3 SER 17 2HB SER 17 1.998 -3.735 11.110 124 HG SER 17 HG SER 17 3.469 -4.221 12.661 125 H ASN 18 H ASN 18 0.198 -6.287 10.512 126 HA ASN 18 HA ASN 18 0.152 -6.940 13.351 127 HB2 ASN 18 1HB ASN 18 -1.927 -6.411 11.265 128 HB3 ASN 18 2HB ASN 18 -2.375 -7.326 12.702 129 HD21 ASN 18 1HD2 ASN 18 -1.569 -6.278 14.792 130 HD22 ASN 18 2HD2 ASN 18 -1.827 -4.574 14.923 131 H GLN 19 H GLN 19 0.722 -8.539 10.491 132 HA GLN 19 HA GLN 19 0.031 -11.115 11.725 133 HB2 GLN 19 1HB GLN 19 -0.169 -10.684 8.757 134 HB3 GLN 19 2HB GLN 19 -0.837 -11.993 9.723 135 HG2 GLN 19 1HG GLN 19 -1.760 -9.133 9.859 136 HG3 GLN 19 2HG GLN 19 -2.528 -10.391 8.893 137 HE21 GLN 19 1HE2 GLN 19 -2.621 -12.522 10.465 138 HE22 GLN 19 2HE2 GLN 19 -3.528 -12.212 11.902 139 HA PRO 20 HA PRO 20 4.493 -11.155 10.726 140 HB2 PRO 20 1HB PRO 20 5.144 -12.816 12.773 141 HB3 PRO 20 2HB PRO 20 4.963 -11.069 12.974 142 HG2 PRO 20 1HG PRO 20 3.019 -13.258 13.598 143 HG3 PRO 20 2HG PRO 20 3.427 -11.819 14.550 144 HD2 PRO 20 1HD PRO 20 1.197 -11.970 13.022 145 HD3 PRO 20 2HD PRO 20 2.068 -10.447 13.292 146 H GLU 21 H GLU 21 2.275 -13.803 11.446 147 HA GLU 21 HA GLU 21 3.925 -15.843 10.319 148 HB2 GLU 21 1HB GLU 21 1.115 -15.669 11.305 149 HB3 GLU 21 2HB GLU 21 1.550 -17.022 10.270 150 HG2 GLU 21 1HG GLU 21 1.839 -17.804 12.450 151 HG3 GLU 21 2HG GLU 21 3.466 -17.444 11.876 152 H ARG 22 H ARG 22 1.260 -13.857 9.136 153 HA ARG 22 HA ARG 22 0.733 -15.134 6.731 154 HB2 ARG 22 1HB ARG 22 -0.540 -13.206 7.726 155 HB3 ARG 22 2HB ARG 22 0.735 -12.142 7.147 156 HG2 ARG 22 1HG ARG 22 0.187 -12.501 4.911 157 HG3 ARG 22 2HG ARG 22 -0.732 -13.963 5.277 158 HD2 ARG 22 1HD ARG 22 -2.364 -12.532 6.512 159 HD3 ARG 22 2HD ARG 22 -1.489 -11.119 5.924 160 HE ARG 22 HE ARG 22 -2.514 -11.384 3.902 161 HH11 ARG 22 2HH1 ARG 22 -2.758 -14.365 5.683 162 HH12 ARG 22 1HH1 ARG 22 -3.797 -15.125 4.524 163 HH21 ARG 22 2HH2 ARG 22 -3.882 -12.373 2.368 164 HH22 ARG 22 1HH2 ARG 22 -4.435 -13.991 2.638 165 H GLN 23 H GLN 23 1.903 -15.495 4.971 166 HA GLN 23 HA GLN 23 4.565 -14.571 4.709 167 HB2 GLN 23 1HB GLN 23 3.312 -16.681 3.713 168 HB3 GLN 23 2HB GLN 23 3.070 -15.606 2.343 169 HG2 GLN 23 1HG GLN 23 5.290 -15.547 1.813 170 HG3 GLN 23 2HG GLN 23 5.806 -15.868 3.467 171 HE21 GLN 23 1HE2 GLN 23 6.728 -17.762 3.702 172 HE22 GLN 23 2HE2 GLN 23 6.345 -19.204 2.831 173 H ILE 24 H ILE 24 5.477 -13.191 3.134 174 HA ILE 24 HA ILE 24 4.023 -10.802 2.688 175 HB ILE 24 HB ILE 24 6.628 -11.696 1.449 176 HG12 ILE 24 1HG1 ILE 24 6.328 -9.748 3.716 177 HG13 ILE 24 2HG1 ILE 24 6.373 -11.479 4.029 178 HG21 ILE 24 1HG2 ILE 24 6.873 -9.091 1.373 179 HG22 ILE 24 2HG2 ILE 24 6.009 -9.946 0.097 180 HG23 ILE 24 3HG2 ILE 24 5.110 -9.132 1.377 181 HD11 ILE 24 1HD1 ILE 24 8.573 -10.917 4.286 182 HD12 ILE 24 2HD1 ILE 24 8.545 -11.377 2.583 183 HD13 ILE 24 3HD1 ILE 24 8.516 -9.673 3.037 184 H LEU 25 H LEU 25 3.394 -9.840 0.710 185 HA LEU 25 HA LEU 25 3.122 -11.667 -1.574 186 HB2 LEU 25 1HB LEU 25 0.882 -9.812 -0.977 187 HB3 LEU 25 2HB LEU 25 0.867 -11.374 -1.794 188 HG LEU 25 HG LEU 25 1.337 -11.174 1.163 189 HD11 LEU 25 1HD1 LEU 25 -0.699 -10.058 1.035 190 HD12 LEU 25 2HD1 LEU 25 -1.167 -11.739 1.284 191 HD13 LEU 25 3HD1 LEU 25 -1.258 -11.029 -0.327 192 HD21 LEU 25 1HD2 LEU 25 0.596 -13.298 -0.800 193 HD22 LEU 25 2HD2 LEU 25 0.091 -13.448 0.883 194 HD23 LEU 25 3HD2 LEU 25 1.805 -13.325 0.484 195 H GLU 26 H GLU 26 2.445 -10.463 -3.586 196 HA GLU 26 HA GLU 26 3.476 -7.709 -3.595 197 HB2 GLU 26 1HB GLU 26 5.244 -9.188 -4.419 198 HB3 GLU 26 2HB GLU 26 4.140 -9.864 -5.608 199 HG2 GLU 26 1HG GLU 26 3.917 -7.390 -6.393 200 HG3 GLU 26 2HG GLU 26 5.450 -7.190 -5.547 201 H LYS 27 H LYS 27 1.893 -6.416 -4.230 202 HA LYS 27 HA LYS 27 0.136 -7.312 -6.417 203 HB2 LYS 27 1HB LYS 27 -0.796 -7.120 -3.937 204 HB3 LYS 27 2HB LYS 27 -0.908 -5.418 -4.363 205 HG2 LYS 27 1HG LYS 27 -2.033 -7.403 -6.261 206 HG3 LYS 27 2HG LYS 27 -2.907 -7.093 -4.759 207 HD2 LYS 27 1HD LYS 27 -2.708 -4.622 -5.340 208 HD3 LYS 27 2HD LYS 27 -2.202 -5.151 -6.946 209 HE2 LYS 27 1HE LYS 27 -4.778 -5.980 -5.618 210 HE3 LYS 27 2HE LYS 27 -4.636 -4.635 -6.749 211 HZ1 LYS 27 1HZ LYS 27 -5.350 -6.489 -7.988 212 HZ2 LYS 27 2HZ LYS 27 -4.198 -7.514 -7.293 213 HZ3 LYS 27 3HZ LYS 27 -3.711 -6.298 -8.363 214 H GLN 28 H GLN 28 -0.224 -5.881 -8.034 215 HA GLN 28 HA GLN 28 1.288 -3.382 -7.931 216 HB2 GLN 28 1HB GLN 28 0.030 -4.877 -10.234 217 HB3 GLN 28 2HB GLN 28 0.856 -3.333 -10.398 218 HG2 GLN 28 1HG GLN 28 2.903 -4.400 -9.479 219 HG3 GLN 28 2HG GLN 28 2.055 -5.945 -9.514 220 HE21 GLN 28 1HE2 GLN 28 2.153 -7.106 -11.310 221 HE22 GLN 28 2HE2 GLN 28 2.715 -6.543 -12.844 222 H LEU 29 H LEU 29 0.324 -1.489 -7.636 223 HA LEU 29 HA LEU 29 -2.530 -1.235 -8.308 224 HB2 LEU 29 1HB LEU 29 -1.137 -0.129 -5.874 225 HB3 LEU 29 2HB LEU 29 -2.802 0.215 -6.336 226 HG LEU 29 HG LEU 29 -2.890 -1.384 -4.594 227 HD11 LEU 29 1HD1 LEU 29 -4.242 -2.958 -5.554 228 HD12 LEU 29 2HD1 LEU 29 -3.165 -3.211 -6.926 229 HD13 LEU 29 3HD1 LEU 29 -4.176 -1.768 -6.855 230 HD21 LEU 29 1HD2 LEU 29 -0.421 -2.089 -5.131 231 HD22 LEU 29 2HD2 LEU 29 -1.211 -3.365 -6.058 232 HD23 LEU 29 3HD2 LEU 29 -1.524 -3.208 -4.329 233 HA PRO 30 HA PRO 30 -1.308 2.319 -10.598 234 HB2 PRO 30 1HB PRO 30 -3.683 3.632 -10.662 235 HB3 PRO 30 2HB PRO 30 -3.361 2.182 -11.620 236 HG2 PRO 30 1HG PRO 30 -4.820 2.449 -9.019 237 HG3 PRO 30 2HG PRO 30 -5.242 1.482 -10.445 238 HD2 PRO 30 1HD PRO 30 -4.072 0.409 -8.251 239 HD3 PRO 30 2HD PRO 30 -3.775 -0.207 -9.889 240 H ASP 31 H ASP 31 -0.101 3.925 -9.828 241 HA ASP 31 HA ASP 31 -0.026 4.973 -7.326 242 HB2 ASP 31 1HB ASP 31 1.138 6.897 -8.237 243 HB3 ASP 31 2HB ASP 31 1.624 5.450 -9.117 244 H SER 32 H SER 32 -2.408 5.587 -9.736 245 HA SER 32 HA SER 32 -3.377 8.070 -8.787 246 HB2 SER 32 1HB SER 32 -3.883 7.070 -11.037 247 HB3 SER 32 2HB SER 32 -4.964 5.935 -10.229 248 HG SER 32 HG SER 32 -5.272 8.682 -9.764 249 H MET 33 H MET 33 -4.271 4.716 -8.087 250 HA MET 33 HA MET 33 -6.529 4.976 -6.606 251 HB2 MET 33 1HB MET 33 -4.933 2.916 -7.079 252 HB3 MET 33 2HB MET 33 -4.371 3.269 -5.450 253 HG2 MET 33 1HG MET 33 -6.329 2.637 -4.483 254 HG3 MET 33 2HG MET 33 -7.295 3.076 -5.890 255 HE1 MET 33 1HE MET 33 -5.866 0.591 -3.780 256 HE2 MET 33 2HE MET 33 -5.878 -0.947 -4.643 257 HE3 MET 33 3HE MET 33 -4.516 0.159 -4.829 258 H THR 34 H THR 34 -7.131 5.989 -4.806 259 HA THR 34 HA THR 34 -5.273 7.615 -3.364 260 HB THR 34 HB THR 34 -7.244 8.158 -1.915 261 HG1 THR 34 1HG THR 34 -8.202 5.943 -2.618 262 HG21 THR 34 1HG2 THR 34 -8.001 8.380 -4.815 263 HG22 THR 34 2HG2 THR 34 -6.651 9.291 -4.139 264 HG23 THR 34 3HG2 THR 34 -8.281 9.532 -3.511 265 H VAL 35 H VAL 35 -4.339 7.292 -1.417 266 HA VAL 35 HA VAL 35 -3.702 4.878 -0.401 267 HB VAL 35 HB VAL 35 -4.109 7.482 1.043 268 HG11 VAL 35 1HG1 VAL 35 -2.686 6.235 2.857 269 HG12 VAL 35 2HG1 VAL 35 -4.446 6.108 2.853 270 HG13 VAL 35 3HG1 VAL 35 -3.465 4.804 2.184 271 HG21 VAL 35 1HG2 VAL 35 -1.694 7.523 1.095 272 HG22 VAL 35 2HG2 VAL 35 -1.619 5.904 0.400 273 HG23 VAL 35 3HG2 VAL 35 -2.238 7.248 -0.560 274 H GLN 36 H GLN 36 -6.676 6.647 0.233 275 HA GLN 36 HA GLN 36 -7.664 5.095 2.340 276 HB2 GLN 36 1HB GLN 36 -8.538 7.315 1.201 277 HB3 GLN 36 2HB GLN 36 -9.539 6.191 0.292 278 HG2 GLN 36 1HG GLN 36 -10.370 5.277 2.443 279 HG3 GLN 36 2HG GLN 36 -9.463 6.537 3.278 280 HE21 GLN 36 1HE2 GLN 36 -10.437 8.409 3.626 281 HE22 GLN 36 2HE2 GLN 36 -11.904 8.936 2.881 282 H LYS 37 H LYS 37 -7.990 4.708 -1.164 283 HA LYS 37 HA LYS 37 -9.774 2.557 -1.167 284 HB2 LYS 37 1HB LYS 37 -7.623 3.387 -3.109 285 HB3 LYS 37 2HB LYS 37 -8.693 2.026 -3.416 286 HG2 LYS 37 1HG LYS 37 -9.887 4.663 -2.727 287 HG3 LYS 37 2HG LYS 37 -9.237 4.411 -4.348 288 HD2 LYS 37 1HD LYS 37 -11.085 2.383 -3.164 289 HD3 LYS 37 2HD LYS 37 -11.744 3.876 -3.837 290 HE2 LYS 37 1HE LYS 37 -10.459 3.366 -5.939 291 HE3 LYS 37 2HE LYS 37 -10.094 1.786 -5.247 292 HZ1 LYS 37 1HZ LYS 37 -12.691 1.754 -4.949 293 HZ2 LYS 37 2HZ LYS 37 -11.966 1.286 -6.404 294 HZ3 LYS 37 3HZ LYS 37 -12.633 2.834 -6.251 295 H VAL 38 H VAL 38 -6.214 2.528 -1.300 296 HA VAL 38 HA VAL 38 -5.769 -0.185 -1.402 297 HB VAL 38 HB VAL 38 -4.126 1.709 0.278 298 HG11 VAL 38 1HG1 VAL 38 -2.288 0.179 -0.663 299 HG12 VAL 38 2HG1 VAL 38 -3.319 -0.453 0.623 300 HG13 VAL 38 3HG1 VAL 38 -3.605 -0.927 -1.052 301 HG21 VAL 38 1HG2 VAL 38 -2.846 1.673 -2.088 302 HG22 VAL 38 2HG2 VAL 38 -4.516 1.553 -2.643 303 HG23 VAL 38 3HG2 VAL 38 -4.018 2.910 -1.634 304 H LYS 39 H LYS 39 -6.440 1.813 1.438 305 HA LYS 39 HA LYS 39 -6.101 -0.288 3.329 306 HB2 LYS 39 1HB LYS 39 -7.440 2.410 3.467 307 HB3 LYS 39 2HB LYS 39 -7.402 1.309 4.838 308 HG2 LYS 39 1HG LYS 39 -5.114 1.521 5.113 309 HG3 LYS 39 2HG LYS 39 -4.867 2.084 3.458 310 HD2 LYS 39 1HD LYS 39 -6.121 4.164 4.072 311 HD3 LYS 39 2HD LYS 39 -6.113 3.604 5.746 312 HE2 LYS 39 1HE LYS 39 -3.672 3.588 5.734 313 HE3 LYS 39 2HE LYS 39 -3.668 4.114 4.052 314 HZ1 LYS 39 1HZ LYS 39 -3.925 5.669 6.417 315 HZ2 LYS 39 2HZ LYS 39 -5.235 5.938 5.382 316 HZ3 LYS 39 3HZ LYS 39 -3.656 6.178 4.826 317 H GLY 40 H GLY 40 -8.878 1.056 1.607 318 HA2 GLY 40 1HA GLY 40 -10.854 -0.425 3.008 319 HA3 GLY 40 2HA GLY 40 -11.059 0.350 1.444 320 H LEU 41 H LEU 41 -8.748 -1.205 0.353 321 HA LEU 41 HA LEU 41 -10.201 -3.324 -0.777 322 HB2 LEU 41 1HB LEU 41 -8.386 -2.481 -2.008 323 HB3 LEU 41 2HB LEU 41 -7.273 -2.677 -0.655 324 HG LEU 41 HG LEU 41 -7.762 -5.223 -0.997 325 HD11 LEU 41 1HD1 LEU 41 -8.646 -3.994 -3.588 326 HD12 LEU 41 2HD1 LEU 41 -9.471 -5.197 -2.599 327 HD13 LEU 41 3HD1 LEU 41 -8.019 -5.640 -3.498 328 HD21 LEU 41 1HD2 LEU 41 -5.590 -4.924 -1.416 329 HD22 LEU 41 2HD2 LEU 41 -5.865 -3.363 -2.191 330 HD23 LEU 41 3HD2 LEU 41 -6.050 -4.854 -3.117 331 H LEU 42 H LEU 42 -7.489 -3.467 1.540 332 HA LEU 42 HA LEU 42 -7.933 -6.244 2.088 333 HB2 LEU 42 1HB LEU 42 -6.258 -4.228 3.576 334 HB3 LEU 42 2HB LEU 42 -6.189 -5.978 3.772 335 HG LEU 42 HG LEU 42 -5.643 -4.800 1.085 336 HD11 LEU 42 1HD1 LEU 42 -3.609 -3.973 1.580 337 HD12 LEU 42 2HD1 LEU 42 -3.312 -5.162 2.847 338 HD13 LEU 42 3HD1 LEU 42 -4.314 -3.750 3.182 339 HD21 LEU 42 1HD2 LEU 42 -3.866 -6.773 1.468 340 HD22 LEU 42 2HD2 LEU 42 -5.495 -7.043 0.849 341 HD23 LEU 42 3HD2 LEU 42 -5.144 -7.311 2.557 342 H SER 43 H SER 43 -8.957 -3.225 3.481 343 HA SER 43 HA SER 43 -9.605 -3.801 6.052 344 HB2 SER 43 1HB SER 43 -10.159 -1.637 5.404 345 HB3 SER 43 2HB SER 43 -11.017 -2.179 3.962 346 HG SER 43 HG SER 43 -11.982 -2.878 6.506 347 H ARG 44 H ARG 44 -11.558 -4.638 3.204 348 HA ARG 44 HA ARG 44 -13.600 -5.950 4.678 349 HB2 ARG 44 1HB ARG 44 -12.814 -6.185 1.768 350 HB3 ARG 44 2HB ARG 44 -14.278 -6.863 2.466 351 HG2 ARG 44 1HG ARG 44 -14.608 -4.347 3.248 352 HG3 ARG 44 2HG ARG 44 -13.600 -4.054 1.830 353 HD2 ARG 44 1HD ARG 44 -15.313 -5.772 0.745 354 HD3 ARG 44 2HD ARG 44 -16.354 -5.144 2.022 355 HE ARG 44 HE ARG 44 -15.177 -2.976 0.711 356 HH11 ARG 44 2HH1 ARG 44 -17.446 -5.538 0.071 357 HH12 ARG 44 1HH1 ARG 44 -18.333 -4.633 -1.111 358 HH21 ARG 44 2HH2 ARG 44 -16.337 -1.775 -0.843 359 HH22 ARG 44 1HH2 ARG 44 -17.701 -2.493 -1.631 360 H LEU 45 H LEU 45 -10.492 -6.917 3.503 361 HA LEU 45 HA LEU 45 -10.995 -9.742 3.624 362 HB2 LEU 45 1HB LEU 45 -8.648 -7.995 3.121 363 HB3 LEU 45 2HB LEU 45 -8.339 -9.646 3.653 364 HG LEU 45 HG LEU 45 -9.883 -10.316 1.685 365 HD11 LEU 45 1HD1 LEU 45 -10.809 -8.499 0.729 366 HD12 LEU 45 2HD1 LEU 45 -9.284 -8.446 -0.155 367 HD13 LEU 45 3HD1 LEU 45 -9.516 -7.424 1.263 368 HD21 LEU 45 1HD2 LEU 45 -8.016 -10.636 0.335 369 HD22 LEU 45 2HD2 LEU 45 -7.331 -10.525 1.957 370 HD23 LEU 45 3HD2 LEU 45 -7.251 -9.139 0.868 371 H LEU 46 H LEU 46 -8.798 -7.651 5.508 372 HA LEU 46 HA LEU 46 -8.613 -9.591 7.618 373 HB2 LEU 46 1HB LEU 46 -7.648 -6.741 7.456 374 HB3 LEU 46 2HB LEU 46 -7.258 -7.867 8.754 375 HG LEU 46 HG LEU 46 -6.532 -8.440 5.896 376 HD11 LEU 46 1HD1 LEU 46 -4.202 -7.630 6.906 377 HD12 LEU 46 2HD1 LEU 46 -5.277 -6.558 7.803 378 HD13 LEU 46 3HD1 LEU 46 -5.293 -6.549 6.039 379 HD21 LEU 46 1HD2 LEU 46 -6.233 -9.768 8.426 380 HD22 LEU 46 2HD2 LEU 46 -4.652 -9.423 7.725 381 HD23 LEU 46 3HD2 LEU 46 -5.843 -10.344 6.805 382 H LYS 47 H LYS 47 -11.116 -7.801 6.803 383 HA LYS 47 HA LYS 47 -12.908 -6.863 7.855 384 HB2 LYS 47 1HB LYS 47 -12.023 -8.695 10.092 385 HB3 LYS 47 2HB LYS 47 -13.617 -7.970 9.928 386 HG2 LYS 47 1HG LYS 47 -14.044 -10.025 9.063 387 HG3 LYS 47 2HG LYS 47 -13.543 -9.194 7.589 388 HD2 LYS 47 1HD LYS 47 -12.248 -11.073 7.437 389 HD3 LYS 47 2HD LYS 47 -11.155 -10.031 8.351 390 HE2 LYS 47 1HE LYS 47 -11.205 -12.200 9.383 391 HE3 LYS 47 2HE LYS 47 -12.015 -11.047 10.442 392 HZ1 LYS 47 1HZ LYS 47 -13.976 -12.080 8.800 393 HZ2 LYS 47 2HZ LYS 47 -13.741 -12.414 10.441 394 HZ3 LYS 47 3HZ LYS 47 -13.041 -13.410 9.266 395 H VAL 48 H VAL 48 -10.499 -5.375 8.058 396 HA VAL 48 HA VAL 48 -10.775 -4.153 10.726 397 HB VAL 48 HB VAL 48 -8.419 -3.954 8.846 398 HG11 VAL 48 1HG1 VAL 48 -7.288 -2.799 10.577 399 HG12 VAL 48 2HG1 VAL 48 -8.865 -2.024 10.412 400 HG13 VAL 48 3HG1 VAL 48 -8.567 -3.146 11.740 401 HG21 VAL 48 1HG2 VAL 48 -7.645 -5.234 11.196 402 HG22 VAL 48 2HG2 VAL 48 -9.176 -5.987 10.752 403 HG23 VAL 48 3HG2 VAL 48 -7.838 -5.966 9.603 404 HA PRO 49 HA PRO 49 -12.492 -0.602 8.745 405 HB2 PRO 49 1HB PRO 49 -12.138 1.170 10.771 406 HB3 PRO 49 2HB PRO 49 -13.382 -0.085 10.800 407 HG2 PRO 49 1HG PRO 49 -10.688 -0.058 12.105 408 HG3 PRO 49 2HG PRO 49 -12.244 -0.597 12.762 409 HD2 PRO 49 1HD PRO 49 -10.388 -2.324 11.812 410 HD3 PRO 49 2HD PRO 49 -12.131 -2.637 11.695 411 H VAL 50 H VAL 50 -11.705 0.909 7.403 412 HA VAL 50 HA VAL 50 -8.974 1.266 6.968 413 HB VAL 50 HB VAL 50 -11.350 2.912 6.128 414 HG11 VAL 50 1HG1 VAL 50 -9.461 4.429 6.280 415 HG12 VAL 50 2HG1 VAL 50 -8.466 3.315 5.339 416 HG13 VAL 50 3HG1 VAL 50 -9.852 4.109 4.590 417 HG21 VAL 50 1HG2 VAL 50 -11.011 0.624 5.187 418 HG22 VAL 50 2HG2 VAL 50 -11.004 1.911 3.982 419 HG23 VAL 50 3HG2 VAL 50 -9.484 1.186 4.508 420 H SER 51 H SER 51 -11.180 2.951 9.073 421 HA SER 51 HA SER 51 -9.644 5.280 9.507 422 HB2 SER 51 1HB SER 51 -11.913 3.932 10.887 423 HB3 SER 51 2HB SER 51 -10.993 5.118 11.812 424 HG SER 51 HG SER 51 -11.340 6.513 9.884 425 H GLU 52 H GLU 52 -9.220 2.051 10.515 426 HA GLU 52 HA GLU 52 -7.380 2.863 12.659 427 HB2 GLU 52 1HB GLU 52 -8.673 0.198 12.068 428 HB3 GLU 52 2HB GLU 52 -7.470 0.450 13.325 429 HG2 GLU 52 1HG GLU 52 -8.945 2.001 14.463 430 HG3 GLU 52 2HG GLU 52 -10.143 1.826 13.182 431 H LEU 53 H LEU 53 -7.596 1.256 9.579 432 HA LEU 53 HA LEU 53 -5.090 -0.033 9.586 433 HB2 LEU 53 1HB LEU 53 -6.983 0.875 7.462 434 HB3 LEU 53 2HB LEU 53 -5.380 0.300 7.011 435 HG LEU 53 HG LEU 53 -7.274 -1.353 8.663 436 HD11 LEU 53 1HD1 LEU 53 -8.333 -0.725 6.510 437 HD12 LEU 53 2HD1 LEU 53 -8.006 -2.452 6.659 438 HD13 LEU 53 3HD1 LEU 53 -6.957 -1.438 5.667 439 HD21 LEU 53 1HD2 LEU 53 -4.753 -1.871 7.117 440 HD22 LEU 53 2HD2 LEU 53 -5.863 -3.170 7.554 441 HD23 LEU 53 3HD2 LEU 53 -5.097 -2.203 8.815 442 H LEU 54 H LEU 54 -3.112 0.790 9.548 443 HA LEU 54 HA LEU 54 -2.752 3.538 8.551 444 HB2 LEU 54 1HB LEU 54 -1.050 2.078 10.562 445 HB3 LEU 54 2HB LEU 54 -0.891 3.763 10.070 446 HG LEU 54 HG LEU 54 -3.268 2.633 11.544 447 HD11 LEU 54 1HD1 LEU 54 -0.747 2.998 12.574 448 HD12 LEU 54 2HD1 LEU 54 -2.250 2.988 13.496 449 HD13 LEU 54 3HD1 LEU 54 -1.558 4.517 12.956 450 HD21 LEU 54 1HD2 LEU 54 -2.589 5.251 10.374 451 HD22 LEU 54 2HD2 LEU 54 -3.265 5.288 12.002 452 HD23 LEU 54 3HD2 LEU 54 -4.162 4.520 10.692 453 H LEU 55 H LEU 55 -1.940 3.452 6.557 454 HA LEU 55 HA LEU 55 -0.134 1.310 5.785 455 HB2 LEU 55 1HB LEU 55 -1.764 3.338 4.395 456 HB3 LEU 55 2HB LEU 55 -0.251 2.894 3.608 457 HG LEU 55 HG LEU 55 -2.126 1.611 2.725 458 HD11 LEU 55 1HD1 LEU 55 -0.709 -0.061 2.402 459 HD12 LEU 55 2HD1 LEU 55 -0.930 -0.621 4.059 460 HD13 LEU 55 3HD1 LEU 55 0.303 0.585 3.694 461 HD21 LEU 55 1HD2 LEU 55 -3.670 0.560 3.971 462 HD22 LEU 55 2HD2 LEU 55 -3.120 1.642 5.251 463 HD23 LEU 55 3HD2 LEU 55 -2.486 -0.001 5.151 464 H SER 56 H SER 56 2.010 1.483 5.695 465 HA SER 56 HA SER 56 3.231 4.144 5.545 466 HB2 SER 56 1HB SER 56 4.943 3.302 7.260 467 HB3 SER 56 2HB SER 56 3.353 3.755 7.874 468 HG SER 56 HG SER 56 4.595 1.408 8.069 469 H TYR 57 H TYR 57 4.506 4.152 3.827 470 HA TYR 57 HA TYR 57 5.667 1.644 2.875 471 HB2 TYR 57 1HB TYR 57 5.771 2.587 0.774 472 HB3 TYR 57 2HB TYR 57 4.391 3.452 1.442 473 HD1 TYR 57 1HD TYR 57 4.808 5.764 2.445 474 HD2 TYR 57 2HD TYR 57 7.642 3.756 -0.012 475 HE1 TYR 57 1HE TYR 57 5.927 7.907 1.995 476 HE2 TYR 57 2HE TYR 57 8.770 5.894 -0.468 477 HH TYR 57 HH TYR 57 8.633 8.126 -0.270 478 H GLU 58 H GLU 58 7.843 1.292 2.658 479 HA GLU 58 HA GLU 58 9.576 3.174 4.096 480 HB2 GLU 58 1HB GLU 58 9.350 0.672 4.720 481 HB3 GLU 58 2HB GLU 58 10.351 0.381 3.304 482 HG2 GLU 58 1HG GLU 58 11.914 2.157 4.416 483 HG3 GLU 58 2HG GLU 58 11.046 1.698 5.880 484 H SER 59 H SER 59 11.012 4.359 3.030 485 HA SER 59 HA SER 59 11.242 4.216 0.198 486 HB2 SER 59 1HB SER 59 11.535 6.252 1.831 487 HB3 SER 59 2HB SER 59 13.214 5.718 1.884 488 HG SER 59 HG SER 59 13.123 7.113 0.206 489 H SER 60 H SER 60 12.469 2.889 -0.945 490 HA SER 60 HA SER 60 14.292 1.074 0.181 491 HB2 SER 60 1HB SER 60 13.767 1.955 -2.653 492 HB3 SER 60 2HB SER 60 15.009 0.764 -2.270 493 HG SER 60 HG SER 60 13.242 -0.371 -1.128 494 H LYS 61 H LYS 61 14.686 4.296 -1.064 495 HA LYS 61 HA LYS 61 17.567 4.128 -1.209 496 HB2 LYS 61 1HB LYS 61 17.450 6.530 -1.749 497 HB3 LYS 61 2HB LYS 61 16.388 5.572 -2.772 498 HG2 LYS 61 1HG LYS 61 14.460 6.312 -1.640 499 HG3 LYS 61 2HG LYS 61 15.408 6.983 -0.310 500 HD2 LYS 61 1HD LYS 61 14.911 8.889 -1.495 501 HD3 LYS 61 2HD LYS 61 16.464 8.449 -2.209 502 HE2 LYS 61 1HE LYS 61 15.129 7.193 -3.967 503 HE3 LYS 61 2HE LYS 61 13.706 8.020 -3.333 504 HZ1 LYS 61 1HZ LYS 61 14.238 9.829 -4.467 505 HZ2 LYS 61 2HZ LYS 61 15.494 8.973 -5.209 506 HZ3 LYS 61 3HZ LYS 61 15.795 9.871 -3.807 507 H MET 62 H MET 62 15.202 4.858 1.164 508 HA MET 62 HA MET 62 17.335 5.716 2.999 509 HB2 MET 62 1HB MET 62 15.574 7.502 2.143 510 HB3 MET 62 2HB MET 62 14.569 6.768 3.385 511 HG2 MET 62 1HG MET 62 15.623 8.630 4.374 512 HG3 MET 62 2HG MET 62 16.430 7.197 5.007 513 HE1 MET 62 1HE MET 62 19.335 8.387 5.437 514 HE2 MET 62 2HE MET 62 18.925 10.042 4.987 515 HE3 MET 62 3HE MET 62 17.762 9.055 5.874 516 HA PRO 63 HA PRO 63 15.250 2.005 4.734 517 HB2 PRO 63 1HB PRO 63 17.514 0.996 5.842 518 HB3 PRO 63 2HB PRO 63 17.064 0.719 4.156 519 HG2 PRO 63 1HG PRO 63 18.998 2.696 5.300 520 HG3 PRO 63 2HG PRO 63 19.165 1.670 3.863 521 HD2 PRO 63 1HD PRO 63 18.496 4.289 3.712 522 HD3 PRO 63 2HD PRO 63 17.904 3.084 2.551 523 H GLY 64 H GLY 64 14.824 1.446 6.914 524 HA2 GLY 64 1HA GLY 64 14.620 1.790 9.182 525 HA3 GLY 64 2HA GLY 64 16.080 2.765 9.108 526 H ARG 65 H ARG 65 13.231 3.429 7.183 527 HA ARG 65 HA ARG 65 12.219 5.428 8.990 528 HB2 ARG 65 1HB ARG 65 14.261 6.410 7.708 529 HB3 ARG 65 2HB ARG 65 13.159 6.471 6.339 530 HG2 ARG 65 1HG ARG 65 11.593 7.721 7.994 531 HG3 ARG 65 2HG ARG 65 13.082 7.999 8.899 532 HD2 ARG 65 1HD ARG 65 14.053 9.214 7.146 533 HD3 ARG 65 2HD ARG 65 12.887 8.612 5.969 534 HE ARG 65 HE ARG 65 11.752 10.200 8.097 535 HH11 ARG 65 2HH1 ARG 65 13.127 10.194 4.898 536 HH12 ARG 65 1HH1 ARG 65 12.383 11.689 4.435 537 HH21 ARG 65 2HH2 ARG 65 10.768 12.168 7.498 538 HH22 ARG 65 1HH2 ARG 65 11.043 12.812 5.915 539 H GLU 66 H GLU 66 10.092 5.271 8.800 540 HA GLU 66 HA GLU 66 8.959 4.630 6.156 541 HB2 GLU 66 1HB GLU 66 7.770 4.012 8.866 542 HB3 GLU 66 2HB GLU 66 7.108 3.547 7.305 543 HG2 GLU 66 1HG GLU 66 8.175 1.650 8.291 544 HG3 GLU 66 2HG GLU 66 9.124 2.176 6.902 545 H ILE 67 H ILE 67 6.999 5.641 5.552 546 HA ILE 67 HA ILE 67 6.483 8.162 6.988 547 HB ILE 67 HB ILE 67 6.162 7.541 4.051 548 HG12 ILE 67 1HG1 ILE 67 7.786 9.595 4.011 549 HG13 ILE 67 2HG1 ILE 67 8.126 9.125 5.672 550 HG21 ILE 67 1HG2 ILE 67 4.633 9.147 3.973 551 HG22 ILE 67 2HG2 ILE 67 4.832 9.477 5.693 552 HG23 ILE 67 3HG2 ILE 67 5.861 10.291 4.515 553 HD11 ILE 67 1HD1 ILE 67 9.730 8.210 4.044 554 HD12 ILE 67 2HD1 ILE 67 8.878 6.960 4.952 555 HD13 ILE 67 3HD1 ILE 67 8.412 7.314 3.288 556 H GLU 68 H GLU 68 4.732 7.861 8.222 557 HA GLU 68 HA GLU 68 2.644 6.047 7.651 558 HB2 GLU 68 1HB GLU 68 1.458 7.125 9.510 559 HB3 GLU 68 2HB GLU 68 3.130 6.778 9.928 560 HG2 GLU 68 1HG GLU 68 3.628 9.184 9.286 561 HG3 GLU 68 2HG GLU 68 1.882 9.429 9.293 562 H LEU 69 H LEU 69 1.333 6.239 5.959 563 HA LEU 69 HA LEU 69 0.736 8.743 4.722 564 HB2 LEU 69 1HB LEU 69 -0.775 6.188 4.281 565 HB3 LEU 69 2HB LEU 69 -0.506 7.513 3.151 566 HG LEU 69 HG LEU 69 1.661 5.656 4.125 567 HD11 LEU 69 1HD1 LEU 69 1.332 4.279 2.343 568 HD12 LEU 69 2HD1 LEU 69 0.595 5.542 1.357 569 HD13 LEU 69 3HD1 LEU 69 -0.337 4.767 2.637 570 HD21 LEU 69 1HD2 LEU 69 1.862 8.139 2.973 571 HD22 LEU 69 2HD2 LEU 69 1.980 7.055 1.586 572 HD23 LEU 69 3HD2 LEU 69 3.101 6.884 2.938 573 H GLU 70 H GLU 70 -0.247 10.026 6.299 574 HA GLU 70 HA GLU 70 -2.560 9.172 7.741 575 HB2 GLU 70 1HB GLU 70 -2.730 11.543 8.422 576 HB3 GLU 70 2HB GLU 70 -1.120 10.881 8.673 577 HG2 GLU 70 1HG GLU 70 -0.417 11.936 6.538 578 HG3 GLU 70 2HG GLU 70 -2.003 12.700 6.447 579 H ASN 71 H ASN 71 -2.064 11.408 5.015 580 HA ASN 71 HA ASN 71 -4.837 11.889 4.613 581 HB2 ASN 71 1HB ASN 71 -2.698 13.223 3.816 582 HB3 ASN 71 2HB ASN 71 -2.865 12.204 2.388 583 HD21 ASN 71 1HD2 ASN 71 -5.819 12.118 2.828 584 HD22 ASN 71 2HD2 ASN 71 -6.395 13.631 2.226 585 H ASP 72 H ASP 72 -6.243 10.420 3.939 586 HA ASP 72 HA ASP 72 -5.389 8.101 2.440 587 HB2 ASP 72 1HB ASP 72 -8.270 8.728 2.946 588 HB3 ASP 72 2HB ASP 72 -7.447 7.171 2.947 589 H LEU 73 H LEU 73 -7.443 10.936 1.898 590 HA LEU 73 HA LEU 73 -8.366 10.295 -0.654 591 HB2 LEU 73 1HB LEU 73 -7.873 12.892 0.755 592 HB3 LEU 73 2HB LEU 73 -8.437 12.862 -0.914 593 HG LEU 73 HG LEU 73 -10.281 11.264 0.190 594 HD11 LEU 73 1HD1 LEU 73 -9.952 13.275 2.367 595 HD12 LEU 73 2HD1 LEU 73 -9.046 11.763 2.436 596 HD13 LEU 73 3HD1 LEU 73 -10.808 11.733 2.376 597 HD21 LEU 73 1HD2 LEU 73 -10.508 14.251 0.429 598 HD22 LEU 73 2HD2 LEU 73 -11.770 13.080 0.048 599 HD23 LEU 73 3HD2 LEU 73 -10.502 13.426 -1.130 600 H GLN 74 H GLN 74 -5.238 11.221 0.401 601 HA GLN 74 HA GLN 74 -4.343 12.183 -2.169 602 HB2 GLN 74 1HB GLN 74 -2.829 11.506 0.357 603 HB3 GLN 74 2HB GLN 74 -2.099 12.205 -1.082 604 HG2 GLN 74 1HG GLN 74 -4.377 13.534 0.343 605 HG3 GLN 74 2HG GLN 74 -2.699 13.776 0.827 606 HE21 GLN 74 1HE2 GLN 74 -3.817 15.996 0.195 607 HE22 GLN 74 2HE2 GLN 74 -3.418 16.542 -1.395 608 HA PRO 75 HA PRO 75 -3.431 8.208 -3.863 609 HB2 PRO 75 1HB PRO 75 -1.850 9.040 -5.907 610 HB3 PRO 75 2HB PRO 75 -3.608 9.223 -5.917 611 HG2 PRO 75 1HG PRO 75 -1.498 11.239 -5.248 612 HG3 PRO 75 2HG PRO 75 -2.969 11.438 -6.219 613 HD2 PRO 75 1HD PRO 75 -2.803 12.252 -3.641 614 HD3 PRO 75 2HD PRO 75 -4.315 11.663 -4.362 615 H LEU 76 H LEU 76 -1.492 6.915 -4.518 616 HA LEU 76 HA LEU 76 0.433 6.912 -2.459 617 HB2 LEU 76 1HB LEU 76 0.267 5.486 -5.099 618 HB3 LEU 76 2HB LEU 76 1.606 5.242 -3.979 619 HG LEU 76 HG LEU 76 -0.064 3.461 -3.816 620 HD11 LEU 76 1HD1 LEU 76 0.851 5.124 -1.644 621 HD12 LEU 76 2HD1 LEU 76 0.721 3.368 -1.742 622 HD13 LEU 76 3HD1 LEU 76 -0.671 4.329 -1.244 623 HD21 LEU 76 1HD2 LEU 76 -1.981 5.029 -4.425 624 HD22 LEU 76 2HD2 LEU 76 -1.987 5.493 -2.723 625 HD23 LEU 76 3HD2 LEU 76 -2.293 3.817 -3.182 626 H GLN 77 H GLN 77 0.420 8.247 -5.697 627 HA GLN 77 HA GLN 77 3.189 8.738 -5.926 628 HB2 GLN 77 1HB GLN 77 1.878 8.810 -7.909 629 HB3 GLN 77 2HB GLN 77 0.783 10.004 -7.227 630 HG2 GLN 77 1HG GLN 77 2.628 11.641 -7.216 631 HG3 GLN 77 2HG GLN 77 3.658 10.442 -7.996 632 HE21 GLN 77 1HE2 GLN 77 0.405 11.805 -8.418 633 HE22 GLN 77 2HE2 GLN 77 0.537 12.031 -10.126 634 H PHE 78 H PHE 78 0.651 10.361 -4.227 635 HA PHE 78 HA PHE 78 1.924 12.893 -3.974 636 HB2 PHE 78 1HB PHE 78 -0.521 12.513 -3.654 637 HB3 PHE 78 2HB PHE 78 -0.156 11.659 -2.158 638 HD1 PHE 78 2HD PHE 78 0.114 14.942 -3.846 639 HD2 PHE 78 1HD PHE 78 0.169 12.823 -0.155 640 HE1 PHE 78 2HE PHE 78 0.068 17.077 -2.623 641 HE2 PHE 78 1HE PHE 78 0.122 14.954 1.074 642 HZ PHE 78 HZ PHE 78 0.073 17.085 -0.160 643 H TYR 79 H TYR 79 2.520 9.872 -2.579 644 HA TYR 79 HA TYR 79 3.938 11.088 -0.304 645 HB2 TYR 79 1HB TYR 79 2.767 8.350 -0.731 646 HB3 TYR 79 2HB TYR 79 3.991 8.633 0.502 647 HD1 TYR 79 2HD TYR 79 3.500 10.423 2.267 648 HD2 TYR 79 1HD TYR 79 0.513 8.799 -0.291 649 HE1 TYR 79 2HE TYR 79 1.758 11.182 3.829 650 HE2 TYR 79 1HE TYR 79 -1.237 9.554 1.263 651 HH TYR 79 HH TYR 79 -0.614 11.724 3.818 652 H SER 80 H SER 80 4.653 10.474 -3.296 653 HA SER 80 HA SER 80 6.548 10.000 -4.460 654 HB2 SER 80 1HB SER 80 7.883 10.017 -1.742 655 HB3 SER 80 2HB SER 80 8.694 10.158 -3.302 656 HG SER 80 HG SER 80 7.350 12.052 -1.841 657 H VAL 81 H VAL 81 4.970 7.867 -4.110 658 HA VAL 81 HA VAL 81 6.697 5.662 -3.226 659 HB VAL 81 HB VAL 81 3.731 5.789 -3.753 660 HG11 VAL 81 1HG1 VAL 81 4.246 3.309 -2.664 661 HG12 VAL 81 2HG1 VAL 81 3.847 3.641 -4.351 662 HG13 VAL 81 3HG1 VAL 81 5.534 3.510 -3.852 663 HG21 VAL 81 1HG2 VAL 81 5.465 5.774 -1.371 664 HG22 VAL 81 2HG2 VAL 81 3.862 6.471 -1.605 665 HG23 VAL 81 3HG2 VAL 81 4.035 4.746 -1.285 666 H GLU 82 H GLU 82 7.782 4.558 -4.705 667 HA GLU 82 HA GLU 82 6.651 4.335 -7.414 668 HB2 GLU 82 1HB GLU 82 8.904 4.498 -8.349 669 HB3 GLU 82 2HB GLU 82 8.498 5.944 -7.436 670 HG2 GLU 82 1HG GLU 82 9.771 5.010 -5.515 671 HG3 GLU 82 2HG GLU 82 10.281 3.687 -6.561 672 H ASN 83 H ASN 83 7.449 2.467 -8.638 673 HA ASN 83 HA ASN 83 7.077 0.066 -7.388 674 HB2 ASN 83 1HB ASN 83 7.889 -0.992 -9.344 675 HB3 ASN 83 2HB ASN 83 7.232 0.548 -9.891 676 HD21 ASN 83 1HD2 ASN 83 8.650 2.198 -10.514 677 HD22 ASN 83 2HD2 ASN 83 10.291 1.864 -10.941 678 H GLY 84 H GLY 84 8.231 -1.283 -6.141 679 HA2 GLY 84 1HA GLY 84 10.402 -2.315 -5.655 680 HA3 GLY 84 2HA GLY 84 11.112 -0.716 -5.816 681 H ASP 85 H ASP 85 8.859 0.524 -4.341 682 HA ASP 85 HA ASP 85 9.985 0.484 -1.768 683 HB2 ASP 85 1HB ASP 85 7.457 1.581 -2.937 684 HB3 ASP 85 2HB ASP 85 7.660 1.568 -1.188 685 H CYS 86 H CYS 86 8.646 0.015 0.244 686 HA CYS 86 HA CYS 86 7.334 -2.603 -0.077 687 HB2 CYS 86 1HB CYS 86 8.878 -1.573 2.312 688 HB3 CYS 86 2HB CYS 86 8.135 -3.161 2.170 689 HG CYS 86 HG CYS 86 10.812 -3.622 1.875 690 H LEU 87 H LEU 87 5.317 -2.843 0.669 691 HA LEU 87 HA LEU 87 4.051 -0.536 1.936 692 HB2 LEU 87 1HB LEU 87 3.028 -2.957 0.501 693 HB3 LEU 87 2HB LEU 87 1.957 -1.987 1.508 694 HG LEU 87 HG LEU 87 3.312 -1.239 -1.062 695 HD11 LEU 87 1HD1 LEU 87 1.204 -1.025 -1.907 696 HD12 LEU 87 2HD1 LEU 87 0.496 -0.617 -0.344 697 HD13 LEU 87 3HD1 LEU 87 0.918 -2.289 -0.711 698 HD21 LEU 87 1HD2 LEU 87 2.297 0.571 1.105 699 HD22 LEU 87 2HD2 LEU 87 2.308 1.068 -0.587 700 HD23 LEU 87 3HD2 LEU 87 3.820 0.649 0.219 701 H LEU 88 H LEU 88 3.427 -0.505 4.003 702 HA LEU 88 HA LEU 88 3.508 -3.039 5.507 703 HB2 LEU 88 1HB LEU 88 4.130 -0.277 6.543 704 HB3 LEU 88 2HB LEU 88 4.221 -1.783 7.455 705 HG LEU 88 HG LEU 88 5.913 -1.465 5.017 706 HD11 LEU 88 1HD1 LEU 88 7.654 -0.625 6.813 707 HD12 LEU 88 2HD1 LEU 88 6.202 0.031 7.568 708 HD13 LEU 88 3HD1 LEU 88 6.629 0.501 5.923 709 HD21 LEU 88 1HD2 LEU 88 6.726 -3.387 5.764 710 HD22 LEU 88 2HD2 LEU 88 5.613 -3.333 7.132 711 HD23 LEU 88 3HD2 LEU 88 7.214 -2.605 7.268 712 H VAL 89 H VAL 89 1.502 -3.653 5.964 713 HA VAL 89 HA VAL 89 -0.572 -1.639 6.407 714 HB VAL 89 HB VAL 89 -0.945 -4.629 6.268 715 HG11 VAL 89 1HG1 VAL 89 -3.219 -3.538 5.332 716 HG12 VAL 89 2HG1 VAL 89 -2.953 -3.931 7.032 717 HG13 VAL 89 3HG1 VAL 89 -2.717 -2.279 6.461 718 HG21 VAL 89 1HG2 VAL 89 0.159 -3.721 4.222 719 HG22 VAL 89 2HG2 VAL 89 -1.434 -4.421 3.932 720 HG23 VAL 89 3HG2 VAL 89 -1.239 -2.669 3.996 721 H ARG 90 H ARG 90 -1.077 -1.040 8.400 722 HA ARG 90 HA ARG 90 -0.852 -3.003 10.576 723 HB2 ARG 90 1HB ARG 90 1.024 -1.165 10.386 724 HB3 ARG 90 2HB ARG 90 -0.206 -0.131 11.101 725 HG2 ARG 90 1HG ARG 90 -0.255 -1.351 13.084 726 HG3 ARG 90 2HG ARG 90 0.523 -2.753 12.347 727 HD2 ARG 90 1HD ARG 90 2.510 -1.112 11.976 728 HD3 ARG 90 2HD ARG 90 1.726 -0.166 13.241 729 HE ARG 90 HE ARG 90 1.973 -2.836 14.091 730 HH11 ARG 90 2HH1 ARG 90 3.916 -0.019 13.452 731 HH12 ARG 90 1HH1 ARG 90 5.145 -0.446 14.596 732 HH21 ARG 90 2HH2 ARG 90 3.585 -3.410 15.600 733 HH22 ARG 90 1HH2 ARG 90 4.956 -2.376 15.816 734 H TRP 91 H TRP 91 -1.963 -2.044 12.623 735 HA TRP 91 HA TRP 91 -4.037 -0.161 12.346 736 HB2 TRP 91 1HB TRP 91 -5.992 -1.591 12.266 737 HB3 TRP 91 2HB TRP 91 -4.975 -1.923 10.866 738 HD1 TRP 91 HD TRP 91 -5.734 -3.446 14.349 739 HE1 TRP 91 1HE TRP 91 -5.430 -5.996 14.182 740 HE3 TRP 91 3HE TRP 91 -4.052 -3.749 9.530 741 HZ2 TRP 91 2HZ TRP 91 -4.588 -7.886 12.262 742 HZ3 TRP 91 3HZ TRP 91 -3.519 -5.966 8.605 743 HH2 TRP 91 HH TRP 91 -3.782 -7.990 9.944 744 H SER 92 H SER 92 -4.927 0.342 14.304 745 HA SER 92 HA SER 92 -3.804 -1.060 16.604 746 HB2 SER 92 1HB SER 92 -3.530 1.336 16.633 747 HB3 SER 92 2HB SER 92 -5.254 1.584 16.354 748 HG SER 92 HG SER 92 -4.859 1.839 18.533 749 H GLY 93 H GLY 93 -5.065 -2.912 16.735 750 HA2 GLY 93 1HA GLY 93 -7.208 -3.029 18.368 751 HA3 GLY 93 2HA GLY 93 -7.953 -2.712 16.807 752 HA PRO 94 HA PRO 94 -5.805 -7.080 16.688 753 HB2 PRO 94 1HB PRO 94 -5.485 -8.226 19.128 754 HB3 PRO 94 2HB PRO 94 -4.231 -7.251 18.353 755 HG2 PRO 94 1HG PRO 94 -6.198 -6.472 20.471 756 HG3 PRO 94 2HG PRO 94 -4.470 -6.089 20.353 757 HD2 PRO 94 1HD PRO 94 -6.404 -4.324 19.661 758 HD3 PRO 94 2HD PRO 94 -4.825 -4.374 18.853 759 H SER 95 H SER 95 -7.472 -8.224 15.936 760 HA SER 95 HA SER 95 -10.040 -8.300 17.020 761 HB2 SER 95 1HB SER 95 -9.500 -8.894 14.676 762 HB3 SER 95 2HB SER 95 -8.738 -10.380 15.244 763 HG SER 95 HG SER 95 -10.881 -10.763 14.598 764 H SER 96 H SER 96 -7.420 -10.692 17.260 765 HA SER 96 HA SER 96 -8.640 -11.678 19.736 766 HB2 SER 96 1HB SER 96 -8.018 -13.279 17.281 767 HB3 SER 96 2HB SER 96 -7.853 -14.033 18.867 768 HG SER 96 HG SER 96 -10.196 -12.615 18.295 769 H GLY 97 H GLY 97 -7.124 -13.010 21.028 770 HA2 GLY 97 1HA GLY 97 -5.116 -13.212 22.121 771 HA3 GLY 97 2HA GLY 97 -4.400 -13.262 20.517 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -9.065 14.870 -5.009 2 HA2 GLY 1 1HA GLY 1 -9.943 12.819 -6.663 3 HA3 GLY 1 2HA GLY 1 -10.456 14.494 -6.796 4 H SER 2 H SER 2 -8.410 12.012 -8.065 5 HA SER 2 HA SER 2 -7.712 13.794 -10.303 6 HB2 SER 2 1HB SER 2 -5.957 11.839 -8.830 7 HB3 SER 2 2HB SER 2 -5.592 12.337 -10.482 8 HG SER 2 HG SER 2 -4.552 13.637 -8.877 9 H SER 3 H SER 3 -9.047 13.108 -11.867 10 HA SER 3 HA SER 3 -8.991 10.240 -12.533 11 HB2 SER 3 1HB SER 3 -11.339 10.387 -13.234 12 HB3 SER 3 2HB SER 3 -11.168 10.827 -11.535 13 HG SER 3 HG SER 3 -11.045 12.852 -13.462 14 H GLY 4 H GLY 4 -7.996 9.967 -14.412 15 HA2 GLY 4 1HA GLY 4 -8.269 10.281 -16.846 16 HA3 GLY 4 2HA GLY 4 -8.417 12.000 -16.515 17 H SER 5 H SER 5 -6.321 12.264 -14.655 18 HA SER 5 HA SER 5 -4.148 12.720 -16.340 19 HB2 SER 5 1HB SER 5 -2.941 13.356 -14.409 20 HB3 SER 5 2HB SER 5 -4.623 13.715 -14.021 21 HG SER 5 HG SER 5 -2.928 12.083 -12.753 22 H SER 6 H SER 6 -2.283 11.621 -16.799 23 HA SER 6 HA SER 6 -2.250 8.942 -17.162 24 HB2 SER 6 1HB SER 6 0.058 10.789 -16.551 25 HB3 SER 6 2HB SER 6 0.292 9.104 -17.013 26 HG SER 6 HG SER 6 -1.352 10.716 -18.604 27 H GLY 7 H GLY 7 -1.285 7.137 -16.090 28 HA2 GLY 7 1HA GLY 7 -0.335 7.261 -13.418 29 HA3 GLY 7 2HA GLY 7 -2.032 6.803 -13.436 30 H GLN 8 H GLN 8 0.968 5.573 -13.256 31 HA GLN 8 HA GLN 8 0.303 3.137 -14.763 32 HB2 GLN 8 1HB GLN 8 2.645 2.624 -14.799 33 HB3 GLN 8 2HB GLN 8 2.449 4.294 -15.313 34 HG2 GLN 8 1HG GLN 8 3.180 5.105 -13.189 35 HG3 GLN 8 2HG GLN 8 3.185 3.476 -12.515 36 HE21 GLN 8 1HE2 GLN 8 4.648 1.918 -13.634 37 HE22 GLN 8 2HE2 GLN 8 6.188 2.506 -14.151 38 H LEU 9 H LEU 9 1.037 1.074 -13.757 39 HA LEU 9 HA LEU 9 0.163 1.011 -10.985 40 HB2 LEU 9 1HB LEU 9 0.491 -0.974 -13.168 41 HB3 LEU 9 2HB LEU 9 0.607 -1.557 -11.509 42 HG LEU 9 HG LEU 9 -1.692 -0.187 -11.331 43 HD11 LEU 9 1HD1 LEU 9 -1.209 -0.595 -14.191 44 HD12 LEU 9 2HD1 LEU 9 -2.308 0.511 -13.368 45 HD13 LEU 9 3HD1 LEU 9 -2.777 -1.170 -13.623 46 HD21 LEU 9 1HD2 LEU 9 -2.735 -2.495 -12.066 47 HD22 LEU 9 2HD2 LEU 9 -1.794 -2.343 -10.582 48 HD23 LEU 9 3HD2 LEU 9 -1.046 -3.003 -12.037 49 H LEU 10 H LEU 10 1.427 0.596 -9.264 50 HA LEU 10 HA LEU 10 4.300 0.257 -9.766 51 HB2 LEU 10 1HB LEU 10 3.241 0.928 -7.073 52 HB3 LEU 10 2HB LEU 10 4.740 1.429 -7.852 53 HG LEU 10 HG LEU 10 1.985 2.584 -8.168 54 HD11 LEU 10 1HD1 LEU 10 4.431 4.211 -7.846 55 HD12 LEU 10 2HD1 LEU 10 3.924 3.252 -6.456 56 HD13 LEU 10 3HD1 LEU 10 2.820 4.431 -7.164 57 HD21 LEU 10 1HD2 LEU 10 4.231 2.554 -10.098 58 HD22 LEU 10 2HD2 LEU 10 3.407 4.093 -9.846 59 HD23 LEU 10 3HD2 LEU 10 2.494 2.680 -10.377 60 H THR 11 H THR 11 5.473 -1.366 -8.807 61 HA THR 11 HA THR 11 3.898 -3.601 -7.766 62 HB THR 11 HB THR 11 6.819 -3.618 -8.534 63 HG1 THR 11 1HG THR 11 4.489 -3.788 -10.075 64 HG21 THR 11 1HG2 THR 11 6.802 -5.836 -8.135 65 HG22 THR 11 2HG2 THR 11 5.174 -6.039 -8.782 66 HG23 THR 11 3HG2 THR 11 5.402 -5.470 -7.129 67 H LEU 12 H LEU 12 3.575 -3.275 -5.621 68 HA LEU 12 HA LEU 12 5.970 -2.863 -3.954 69 HB2 LEU 12 1HB LEU 12 3.182 -2.247 -3.048 70 HB3 LEU 12 2HB LEU 12 4.712 -1.658 -2.400 71 HG LEU 12 HG LEU 12 3.776 -0.873 -5.142 72 HD11 LEU 12 1HD1 LEU 12 3.054 1.270 -3.841 73 HD12 LEU 12 2HD1 LEU 12 2.868 0.152 -2.491 74 HD13 LEU 12 3HD1 LEU 12 1.951 -0.100 -3.976 75 HD21 LEU 12 1HD2 LEU 12 5.960 -0.182 -3.327 76 HD22 LEU 12 2HD2 LEU 12 5.120 1.217 -3.998 77 HD23 LEU 12 3HD2 LEU 12 5.830 0.014 -5.075 78 H LYS 13 H LYS 13 5.714 -3.778 -1.705 79 HA LYS 13 HA LYS 13 4.359 -6.392 -1.850 80 HB2 LYS 13 1HB LYS 13 6.786 -5.797 -0.165 81 HB3 LYS 13 2HB LYS 13 6.119 -7.367 -0.591 82 HG2 LYS 13 1HG LYS 13 7.125 -5.547 -2.732 83 HG3 LYS 13 2HG LYS 13 8.257 -6.506 -1.775 84 HD2 LYS 13 1HD LYS 13 5.891 -7.880 -2.942 85 HD3 LYS 13 2HD LYS 13 7.207 -7.425 -4.026 86 HE2 LYS 13 1HE LYS 13 8.684 -8.880 -3.065 87 HE3 LYS 13 2HE LYS 13 7.908 -8.793 -1.484 88 HZ1 LYS 13 1HZ LYS 13 6.560 -10.494 -1.967 89 HZ2 LYS 13 2HZ LYS 13 7.679 -10.858 -3.182 90 HZ3 LYS 13 3HZ LYS 13 6.282 -9.980 -3.555 91 H ILE 14 H ILE 14 2.842 -6.780 -0.376 92 HA ILE 14 HA ILE 14 2.483 -4.870 1.802 93 HB ILE 14 HB ILE 14 0.690 -6.983 0.626 94 HG12 ILE 14 1HG1 ILE 14 -0.777 -4.802 0.530 95 HG13 ILE 14 2HG1 ILE 14 0.776 -3.989 0.682 96 HG21 ILE 14 1HG2 ILE 14 0.526 -5.607 3.255 97 HG22 ILE 14 2HG2 ILE 14 -0.965 -5.858 2.348 98 HG23 ILE 14 3HG2 ILE 14 0.035 -7.238 2.799 99 HD11 ILE 14 1HD1 ILE 14 1.569 -5.117 -1.324 100 HD12 ILE 14 2HD1 ILE 14 0.020 -5.948 -1.472 101 HD13 ILE 14 3HD1 ILE 14 0.100 -4.194 -1.641 102 H LYS 15 H LYS 15 3.373 -5.309 3.699 103 HA LYS 15 HA LYS 15 3.353 -8.093 4.653 104 HB2 LYS 15 1HB LYS 15 5.623 -7.665 4.033 105 HB3 LYS 15 2HB LYS 15 5.606 -6.091 4.817 106 HG2 LYS 15 1HG LYS 15 5.079 -8.483 6.493 107 HG3 LYS 15 2HG LYS 15 6.730 -8.200 5.936 108 HD2 LYS 15 1HD LYS 15 6.512 -5.857 6.842 109 HD3 LYS 15 2HD LYS 15 4.998 -6.371 7.590 110 HE2 LYS 15 1HE LYS 15 7.637 -7.749 8.048 111 HE3 LYS 15 2HE LYS 15 7.022 -6.458 9.079 112 HZ1 LYS 15 1HZ LYS 15 6.488 -9.141 9.311 113 HZ2 LYS 15 2HZ LYS 15 5.065 -8.483 8.676 114 HZ3 LYS 15 3HZ LYS 15 5.702 -7.882 10.123 115 H CYS 16 H CYS 16 2.528 -8.371 6.633 116 HA CYS 16 HA CYS 16 1.503 -6.076 8.048 117 HB2 CYS 16 1HB CYS 16 1.337 -9.045 8.586 118 HB3 CYS 16 2HB CYS 16 0.591 -7.829 9.616 119 HG CYS 16 HG CYS 16 -1.239 -6.953 7.783 120 H SER 17 H SER 17 2.964 -4.926 9.160 121 HA SER 17 HA SER 17 5.351 -5.820 10.248 122 HB2 SER 17 1HB SER 17 4.905 -3.452 9.972 123 HB3 SER 17 2HB SER 17 3.589 -3.528 11.145 124 HG SER 17 HG SER 17 5.099 -3.975 12.752 125 H ASN 18 H ASN 18 2.249 -5.321 11.930 126 HA ASN 18 HA ASN 18 3.062 -6.230 14.441 127 HB2 ASN 18 1HB ASN 18 0.858 -5.059 13.692 128 HB3 ASN 18 2HB ASN 18 0.274 -6.699 13.429 129 HD21 ASN 18 1HD2 ASN 18 -1.288 -6.271 15.061 130 HD22 ASN 18 2HD2 ASN 18 -0.859 -6.375 16.732 131 H GLN 19 H GLN 19 2.759 -7.950 11.572 132 HA GLN 19 HA GLN 19 2.715 -10.495 13.052 133 HB2 GLN 19 1HB GLN 19 1.576 -10.059 10.289 134 HB3 GLN 19 2HB GLN 19 1.520 -11.544 11.229 135 HG2 GLN 19 1HG GLN 19 0.183 -8.964 12.009 136 HG3 GLN 19 2HG GLN 19 -0.615 -10.317 11.210 137 HE21 GLN 19 1HE2 GLN 19 0.360 -12.469 12.501 138 HE22 GLN 19 2HE2 GLN 19 -0.085 -12.430 14.170 139 HA PRO 20 HA PRO 20 6.736 -10.417 10.940 140 HB2 PRO 20 1HB PRO 20 7.893 -12.189 12.640 141 HB3 PRO 20 2HB PRO 20 7.739 -10.467 13.007 142 HG2 PRO 20 1HG PRO 20 6.042 -12.757 13.920 143 HG3 PRO 20 2HG PRO 20 6.647 -11.373 14.849 144 HD2 PRO 20 1HD PRO 20 4.114 -11.495 13.900 145 HD3 PRO 20 2HD PRO 20 4.999 -9.965 14.063 146 H GLU 21 H GLU 21 4.856 -13.211 12.023 147 HA GLU 21 HA GLU 21 6.196 -15.070 10.311 148 HB2 GLU 21 1HB GLU 21 3.783 -15.150 12.071 149 HB3 GLU 21 2HB GLU 21 3.998 -16.418 10.872 150 HG2 GLU 21 1HG GLU 21 6.340 -16.696 11.871 151 HG3 GLU 21 2HG GLU 21 5.724 -15.748 13.223 152 H ARG 22 H ARG 22 3.179 -13.238 10.150 153 HA ARG 22 HA ARG 22 1.939 -14.339 7.981 154 HB2 ARG 22 1HB ARG 22 2.149 -11.528 8.979 155 HB3 ARG 22 2HB ARG 22 1.345 -11.829 7.444 156 HG2 ARG 22 1HG ARG 22 0.536 -13.471 9.778 157 HG3 ARG 22 2HG ARG 22 0.028 -11.782 9.730 158 HD2 ARG 22 1HD ARG 22 -1.723 -12.721 8.615 159 HD3 ARG 22 2HD ARG 22 -0.639 -12.441 7.253 160 HE ARG 22 HE ARG 22 0.003 -14.944 8.101 161 HH11 ARG 22 2HH1 ARG 22 -2.958 -13.380 7.149 162 HH12 ARG 22 1HH1 ARG 22 -3.680 -14.830 6.536 163 HH21 ARG 22 2HH2 ARG 22 -0.936 -16.860 7.297 164 HH22 ARG 22 1HH2 ARG 22 -2.529 -16.810 6.621 165 H GLN 23 H GLN 23 2.976 -15.034 6.209 166 HA GLN 23 HA GLN 23 5.285 -14.091 5.069 167 HB2 GLN 23 1HB GLN 23 4.710 -15.301 3.103 168 HB3 GLN 23 2HB GLN 23 4.026 -16.188 4.459 169 HG2 GLN 23 1HG GLN 23 2.436 -14.242 2.815 170 HG3 GLN 23 2HG GLN 23 2.567 -15.955 2.420 171 HE21 GLN 23 1HE2 GLN 23 1.207 -13.599 4.542 172 HE22 GLN 23 2HE2 GLN 23 0.153 -14.667 5.399 173 H ILE 24 H ILE 24 5.500 -13.038 2.869 174 HA ILE 24 HA ILE 24 3.812 -10.628 2.817 175 HB ILE 24 HB ILE 24 6.566 -10.975 1.630 176 HG12 ILE 24 1HG1 ILE 24 5.703 -9.664 4.217 177 HG13 ILE 24 2HG1 ILE 24 6.673 -11.125 4.063 178 HG21 ILE 24 1HG2 ILE 24 5.823 -9.196 0.456 179 HG22 ILE 24 2HG2 ILE 24 4.564 -8.811 1.629 180 HG23 ILE 24 3HG2 ILE 24 6.231 -8.325 1.934 181 HD11 ILE 24 1HD1 ILE 24 8.482 -9.861 4.125 182 HD12 ILE 24 2HD1 ILE 24 8.000 -9.146 2.586 183 HD13 ILE 24 3HD1 ILE 24 7.504 -8.394 4.102 184 H LEU 25 H LEU 25 2.913 -9.904 0.910 185 HA LEU 25 HA LEU 25 3.075 -11.762 -1.372 186 HB2 LEU 25 1HB LEU 25 0.680 -10.051 -0.995 187 HB3 LEU 25 2HB LEU 25 0.821 -11.651 -1.719 188 HG LEU 25 HG LEU 25 -0.494 -11.800 0.285 189 HD11 LEU 25 1HD1 LEU 25 2.044 -12.906 1.310 190 HD12 LEU 25 2HD1 LEU 25 1.551 -13.426 -0.301 191 HD13 LEU 25 3HD1 LEU 25 0.477 -13.680 1.074 192 HD21 LEU 25 1HD2 LEU 25 -0.053 -10.763 2.233 193 HD22 LEU 25 2HD2 LEU 25 0.957 -9.724 1.228 194 HD23 LEU 25 3HD2 LEU 25 1.682 -11.061 2.122 195 H GLU 26 H GLU 26 2.117 -10.572 -3.418 196 HA GLU 26 HA GLU 26 3.277 -7.869 -3.542 197 HB2 GLU 26 1HB GLU 26 4.643 -9.808 -4.606 198 HB3 GLU 26 2HB GLU 26 3.423 -9.757 -5.871 199 HG2 GLU 26 1HG GLU 26 3.946 -7.363 -6.216 200 HG3 GLU 26 2HG GLU 26 5.245 -7.514 -5.034 201 H LYS 27 H LYS 27 1.923 -6.379 -4.285 202 HA LYS 27 HA LYS 27 -0.299 -7.221 -6.021 203 HB2 LYS 27 1HB LYS 27 -0.890 -6.737 -3.549 204 HB3 LYS 27 2HB LYS 27 -0.615 -5.050 -3.965 205 HG2 LYS 27 1HG LYS 27 -2.930 -5.405 -4.169 206 HG3 LYS 27 2HG LYS 27 -2.300 -5.359 -5.818 207 HD2 LYS 27 1HD LYS 27 -2.318 -7.791 -5.912 208 HD3 LYS 27 2HD LYS 27 -2.884 -7.866 -4.241 209 HE2 LYS 27 1HE LYS 27 -4.957 -6.807 -4.841 210 HE3 LYS 27 2HE LYS 27 -4.383 -6.516 -6.483 211 HZ1 LYS 27 1HZ LYS 27 -5.920 -8.486 -6.107 212 HZ2 LYS 27 2HZ LYS 27 -4.596 -9.251 -5.383 213 HZ3 LYS 27 3HZ LYS 27 -4.513 -8.770 -7.002 214 H GLN 28 H GLN 28 -0.906 -5.792 -7.625 215 HA GLN 28 HA GLN 28 0.887 -3.486 -7.998 216 HB2 GLN 28 1HB GLN 28 -0.412 -5.322 -10.006 217 HB3 GLN 28 2HB GLN 28 0.302 -3.779 -10.458 218 HG2 GLN 28 1HG GLN 28 2.462 -4.484 -9.885 219 HG3 GLN 28 2HG GLN 28 1.858 -5.870 -8.978 220 HE21 GLN 28 1HE2 GLN 28 2.991 -4.748 -11.952 221 HE22 GLN 28 2HE2 GLN 28 2.684 -6.169 -12.886 222 H LEU 29 H LEU 29 -0.044 -1.570 -7.798 223 HA LEU 29 HA LEU 29 -2.820 -1.232 -8.687 224 HB2 LEU 29 1HB LEU 29 -1.781 0.029 -6.166 225 HB3 LEU 29 2HB LEU 29 -3.443 -0.030 -6.748 226 HG LEU 29 HG LEU 29 -3.184 -1.508 -4.861 227 HD11 LEU 29 1HD1 LEU 29 -3.396 -3.744 -6.495 228 HD12 LEU 29 2HD1 LEU 29 -3.949 -2.403 -7.497 229 HD13 LEU 29 3HD1 LEU 29 -4.710 -2.710 -5.937 230 HD21 LEU 29 1HD2 LEU 29 -1.452 -3.474 -6.113 231 HD22 LEU 29 2HD2 LEU 29 -1.397 -2.788 -4.489 232 HD23 LEU 29 3HD2 LEU 29 -0.635 -1.936 -5.833 233 HA PRO 30 HA PRO 30 -1.291 2.356 -10.714 234 HB2 PRO 30 1HB PRO 30 -3.569 3.827 -10.849 235 HB3 PRO 30 2HB PRO 30 -3.289 2.396 -11.849 236 HG2 PRO 30 1HG PRO 30 -4.870 2.660 -9.321 237 HG3 PRO 30 2HG PRO 30 -5.273 1.779 -10.806 238 HD2 PRO 30 1HD PRO 30 -4.300 0.547 -8.600 239 HD3 PRO 30 2HD PRO 30 -3.952 -0.025 -10.244 240 H ASP 31 H ASP 31 -0.065 3.908 -9.872 241 HA ASP 31 HA ASP 31 -0.017 4.832 -7.316 242 HB2 ASP 31 1HB ASP 31 1.171 6.832 -8.168 243 HB3 ASP 31 2HB ASP 31 1.753 5.340 -8.903 244 H SER 32 H SER 32 -2.300 5.651 -9.759 245 HA SER 32 HA SER 32 -3.187 8.133 -8.726 246 HB2 SER 32 1HB SER 32 -3.699 7.426 -11.017 247 HB3 SER 32 2HB SER 32 -4.677 6.095 -10.399 248 HG SER 32 HG SER 32 -6.150 7.548 -9.616 249 H MET 33 H MET 33 -4.218 4.792 -8.193 250 HA MET 33 HA MET 33 -6.519 5.116 -6.759 251 HB2 MET 33 1HB MET 33 -5.075 2.982 -7.348 252 HB3 MET 33 2HB MET 33 -4.498 3.189 -5.700 253 HG2 MET 33 1HG MET 33 -6.510 2.656 -4.774 254 HG3 MET 33 2HG MET 33 -7.426 3.223 -6.168 255 HE1 MET 33 1HE MET 33 -4.843 0.028 -5.282 256 HE2 MET 33 2HE MET 33 -6.098 0.596 -4.180 257 HE3 MET 33 3HE MET 33 -6.318 -0.916 -5.063 258 H THR 34 H THR 34 -7.000 6.358 -5.084 259 HA THR 34 HA THR 34 -5.105 7.661 -3.470 260 HB THR 34 HB THR 34 -7.080 8.177 -1.975 261 HG1 THR 34 1HG THR 34 -8.564 6.639 -2.247 262 HG21 THR 34 1HG2 THR 34 -6.467 9.709 -3.735 263 HG22 THR 34 2HG2 THR 34 -8.225 9.571 -3.689 264 HG23 THR 34 3HG2 THR 34 -7.305 8.727 -4.935 265 H VAL 35 H VAL 35 -4.467 7.346 -1.337 266 HA VAL 35 HA VAL 35 -3.852 4.805 -0.496 267 HB VAL 35 HB VAL 35 -4.296 7.266 1.196 268 HG11 VAL 35 1HG1 VAL 35 -4.136 5.934 2.972 269 HG12 VAL 35 2HG1 VAL 35 -3.765 4.530 1.969 270 HG13 VAL 35 3HG1 VAL 35 -2.472 5.613 2.485 271 HG21 VAL 35 1HG2 VAL 35 -1.980 7.651 1.006 272 HG22 VAL 35 2HG2 VAL 35 -1.685 6.045 0.339 273 HG23 VAL 35 3HG2 VAL 35 -2.522 7.261 -0.626 274 H GLN 36 H GLN 36 -6.793 6.629 0.067 275 HA GLN 36 HA GLN 36 -7.903 5.052 2.102 276 HB2 GLN 36 1HB GLN 36 -8.948 7.119 1.710 277 HB3 GLN 36 2HB GLN 36 -9.097 6.818 -0.016 278 HG2 GLN 36 1HG GLN 36 -10.940 5.471 0.236 279 HG3 GLN 36 2HG GLN 36 -10.539 5.053 1.901 280 HE21 GLN 36 1HE2 GLN 36 -11.369 6.230 3.527 281 HE22 GLN 36 2HE2 GLN 36 -12.392 7.606 3.318 282 H LYS 37 H LYS 37 -8.265 4.845 -1.428 283 HA LYS 37 HA LYS 37 -10.034 2.685 -1.498 284 HB2 LYS 37 1HB LYS 37 -7.983 3.716 -3.440 285 HB3 LYS 37 2HB LYS 37 -8.932 2.280 -3.802 286 HG2 LYS 37 1HG LYS 37 -10.952 3.836 -3.210 287 HG3 LYS 37 2HG LYS 37 -9.797 5.119 -3.579 288 HD2 LYS 37 1HD LYS 37 -10.088 2.847 -5.488 289 HD3 LYS 37 2HD LYS 37 -11.332 4.099 -5.455 290 HE2 LYS 37 1HE LYS 37 -9.873 5.748 -6.158 291 HE3 LYS 37 2HE LYS 37 -8.450 4.876 -5.590 292 HZ1 LYS 37 1HZ LYS 37 -9.631 3.285 -7.523 293 HZ2 LYS 37 2HZ LYS 37 -8.182 4.147 -7.649 294 HZ3 LYS 37 3HZ LYS 37 -9.632 4.855 -8.155 295 H VAL 38 H VAL 38 -6.481 2.714 -1.635 296 HA VAL 38 HA VAL 38 -6.069 -0.028 -1.901 297 HB VAL 38 HB VAL 38 -4.339 1.978 -0.447 298 HG11 VAL 38 1HG1 VAL 38 -3.911 -0.461 0.054 299 HG12 VAL 38 2HG1 VAL 38 -3.476 -0.643 -1.647 300 HG13 VAL 38 3HG1 VAL 38 -2.548 0.440 -0.608 301 HG21 VAL 38 1HG2 VAL 38 -3.881 0.955 -3.223 302 HG22 VAL 38 2HG2 VAL 38 -4.970 2.311 -2.935 303 HG23 VAL 38 3HG2 VAL 38 -3.275 2.426 -2.461 304 H LYS 39 H LYS 39 -6.612 1.928 0.981 305 HA LYS 39 HA LYS 39 -6.062 -0.113 2.868 306 HB2 LYS 39 1HB LYS 39 -7.593 2.475 3.005 307 HB3 LYS 39 2HB LYS 39 -7.495 1.391 4.386 308 HG2 LYS 39 1HG LYS 39 -5.105 1.609 4.457 309 HG3 LYS 39 2HG LYS 39 -5.109 2.555 2.967 310 HD2 LYS 39 1HD LYS 39 -6.216 4.374 4.030 311 HD3 LYS 39 2HD LYS 39 -6.553 3.410 5.469 312 HE2 LYS 39 1HE LYS 39 -4.198 3.315 6.002 313 HE3 LYS 39 2HE LYS 39 -3.794 4.155 4.505 314 HZ1 LYS 39 1HZ LYS 39 -5.054 6.078 5.333 315 HZ2 LYS 39 2HZ LYS 39 -3.745 5.691 6.330 316 HZ3 LYS 39 3HZ LYS 39 -5.316 5.272 6.797 317 H GLY 40 H GLY 40 -9.063 1.038 1.363 318 HA2 GLY 40 1HA GLY 40 -10.830 -0.609 2.808 319 HA3 GLY 40 2HA GLY 40 -11.152 0.097 1.232 320 H LEU 41 H LEU 41 -8.720 -1.302 0.144 321 HA LEU 41 HA LEU 41 -10.041 -3.585 -0.861 322 HB2 LEU 41 1HB LEU 41 -8.408 -2.623 -2.241 323 HB3 LEU 41 2HB LEU 41 -7.202 -2.623 -0.956 324 HG LEU 41 HG LEU 41 -7.380 -5.211 -1.147 325 HD11 LEU 41 1HD1 LEU 41 -8.229 -4.478 -3.935 326 HD12 LEU 41 2HD1 LEU 41 -9.365 -5.023 -2.701 327 HD13 LEU 41 3HD1 LEU 41 -8.059 -6.085 -3.228 328 HD21 LEU 41 1HD2 LEU 41 -5.310 -4.485 -1.709 329 HD22 LEU 41 2HD2 LEU 41 -5.919 -3.242 -2.802 330 HD23 LEU 41 3HD2 LEU 41 -5.857 -4.925 -3.326 331 H LEU 42 H LEU 42 -7.346 -3.261 1.443 332 HA LEU 42 HA LEU 42 -7.325 -6.072 2.032 333 HB2 LEU 42 1HB LEU 42 -5.958 -3.713 3.308 334 HB3 LEU 42 2HB LEU 42 -5.730 -5.377 3.842 335 HG LEU 42 HG LEU 42 -5.136 -4.527 1.022 336 HD11 LEU 42 1HD1 LEU 42 -2.879 -4.794 2.880 337 HD12 LEU 42 2HD1 LEU 42 -3.882 -3.364 3.121 338 HD13 LEU 42 3HD1 LEU 42 -3.134 -3.662 1.552 339 HD21 LEU 42 1HD2 LEU 42 -3.403 -6.494 1.691 340 HD22 LEU 42 2HD2 LEU 42 -4.966 -6.767 0.922 341 HD23 LEU 42 3HD2 LEU 42 -4.801 -6.938 2.670 342 H SER 43 H SER 43 -8.794 -3.214 3.381 343 HA SER 43 HA SER 43 -9.368 -3.908 5.957 344 HB2 SER 43 1HB SER 43 -10.183 -1.817 5.436 345 HB3 SER 43 2HB SER 43 -10.846 -2.344 3.889 346 HG SER 43 HG SER 43 -11.916 -2.688 6.479 347 H ARG 44 H ARG 44 -11.036 -5.003 3.037 348 HA ARG 44 HA ARG 44 -13.018 -6.503 4.441 349 HB2 ARG 44 1HB ARG 44 -12.117 -6.392 1.574 350 HB3 ARG 44 2HB ARG 44 -13.294 -7.584 2.111 351 HG2 ARG 44 1HG ARG 44 -13.700 -4.669 2.655 352 HG3 ARG 44 2HG ARG 44 -14.139 -5.381 1.100 353 HD2 ARG 44 1HD ARG 44 -15.597 -6.974 2.232 354 HD3 ARG 44 2HD ARG 44 -15.136 -6.300 3.794 355 HE ARG 44 HE ARG 44 -16.117 -4.186 2.334 356 HH11 ARG 44 2HH1 ARG 44 -17.314 -7.266 3.429 357 HH12 ARG 44 1HH1 ARG 44 -18.959 -6.733 3.543 358 HH21 ARG 44 2HH2 ARG 44 -18.279 -3.472 2.480 359 HH22 ARG 44 1HH2 ARG 44 -19.506 -4.575 3.003 360 H LEU 45 H LEU 45 -9.785 -7.123 3.358 361 HA LEU 45 HA LEU 45 -9.962 -9.980 3.457 362 HB2 LEU 45 1HB LEU 45 -7.792 -7.975 3.126 363 HB3 LEU 45 2HB LEU 45 -7.347 -9.607 3.622 364 HG LEU 45 HG LEU 45 -8.362 -10.510 1.593 365 HD11 LEU 45 1HD1 LEU 45 -9.466 -9.267 0.004 366 HD12 LEU 45 2HD1 LEU 45 -8.724 -7.752 0.514 367 HD13 LEU 45 3HD1 LEU 45 -9.997 -8.481 1.491 368 HD21 LEU 45 1HD2 LEU 45 -6.789 -8.585 0.195 369 HD22 LEU 45 2HD2 LEU 45 -6.377 -10.241 0.642 370 HD23 LEU 45 3HD2 LEU 45 -6.037 -8.915 1.756 371 H LEU 46 H LEU 46 -8.155 -7.665 5.488 372 HA LEU 46 HA LEU 46 -7.936 -9.623 7.604 373 HB2 LEU 46 1HB LEU 46 -7.097 -6.728 7.543 374 HB3 LEU 46 2HB LEU 46 -6.654 -7.910 8.773 375 HG LEU 46 HG LEU 46 -5.897 -8.361 5.912 376 HD11 LEU 46 1HD1 LEU 46 -3.687 -7.276 6.565 377 HD12 LEU 46 2HD1 LEU 46 -4.585 -6.503 7.872 378 HD13 LEU 46 3HD1 LEU 46 -5.035 -6.200 6.194 379 HD21 LEU 46 1HD2 LEU 46 -4.436 -9.897 6.746 380 HD22 LEU 46 2HD2 LEU 46 -5.671 -9.972 8.004 381 HD23 LEU 46 3HD2 LEU 46 -4.206 -9.023 8.261 382 H LYS 47 H LYS 47 -10.464 -7.951 6.650 383 HA LYS 47 HA LYS 47 -12.350 -7.097 7.601 384 HB2 LYS 47 1HB LYS 47 -11.654 -8.559 10.126 385 HB3 LYS 47 2HB LYS 47 -13.231 -8.321 9.385 386 HG2 LYS 47 1HG LYS 47 -11.044 -10.123 8.366 387 HG3 LYS 47 2HG LYS 47 -12.522 -10.629 9.188 388 HD2 LYS 47 1HD LYS 47 -12.661 -8.982 6.691 389 HD3 LYS 47 2HD LYS 47 -12.409 -10.727 6.597 390 HE2 LYS 47 1HE LYS 47 -14.641 -9.564 8.227 391 HE3 LYS 47 2HE LYS 47 -14.819 -9.817 6.491 392 HZ1 LYS 47 1HZ LYS 47 -15.624 -11.681 7.903 393 HZ2 LYS 47 2HZ LYS 47 -14.028 -11.957 8.387 394 HZ3 LYS 47 3HZ LYS 47 -14.461 -12.135 6.761 395 H VAL 48 H VAL 48 -9.832 -5.626 7.979 396 HA VAL 48 HA VAL 48 -10.284 -4.321 10.567 397 HB VAL 48 HB VAL 48 -7.988 -4.006 8.627 398 HG11 VAL 48 1HG1 VAL 48 -8.604 -2.024 10.110 399 HG12 VAL 48 2HG1 VAL 48 -8.088 -3.028 11.466 400 HG13 VAL 48 3HG1 VAL 48 -6.942 -2.606 10.193 401 HG21 VAL 48 1HG2 VAL 48 -7.121 -5.830 9.548 402 HG22 VAL 48 2HG2 VAL 48 -7.186 -5.059 11.133 403 HG23 VAL 48 3HG2 VAL 48 -8.553 -6.015 10.561 404 HA PRO 49 HA PRO 49 -12.324 -0.924 8.626 405 HB2 PRO 49 1HB PRO 49 -12.040 0.889 10.626 406 HB3 PRO 49 2HB PRO 49 -13.182 -0.458 10.705 407 HG2 PRO 49 1HG PRO 49 -10.456 -0.211 11.918 408 HG3 PRO 49 2HG PRO 49 -11.943 -0.862 12.632 409 HD2 PRO 49 1HD PRO 49 -9.992 -2.450 11.631 410 HD3 PRO 49 2HD PRO 49 -11.709 -2.897 11.575 411 H VAL 50 H VAL 50 -11.587 0.426 7.119 412 HA VAL 50 HA VAL 50 -8.981 1.031 6.576 413 HB VAL 50 HB VAL 50 -11.481 2.587 5.958 414 HG11 VAL 50 1HG1 VAL 50 -10.161 3.915 4.371 415 HG12 VAL 50 2HG1 VAL 50 -9.657 4.193 6.039 416 HG13 VAL 50 3HG1 VAL 50 -8.686 3.167 4.982 417 HG21 VAL 50 1HG2 VAL 50 -9.961 0.417 4.726 418 HG22 VAL 50 2HG2 VAL 50 -11.643 0.896 4.496 419 HG23 VAL 50 3HG2 VAL 50 -10.361 1.725 3.612 420 H SER 51 H SER 51 -11.059 2.535 8.920 421 HA SER 51 HA SER 51 -9.668 4.947 9.297 422 HB2 SER 51 1HB SER 51 -11.604 3.340 10.892 423 HB3 SER 51 2HB SER 51 -10.682 4.581 11.741 424 HG SER 51 HG SER 51 -12.054 5.938 10.936 425 H GLU 52 H GLU 52 -9.349 1.795 10.898 426 HA GLU 52 HA GLU 52 -7.154 2.688 12.534 427 HB2 GLU 52 1HB GLU 52 -8.198 -0.106 12.034 428 HB3 GLU 52 2HB GLU 52 -7.044 0.350 13.279 429 HG2 GLU 52 1HG GLU 52 -8.674 1.604 14.455 430 HG3 GLU 52 2HG GLU 52 -9.818 1.489 13.120 431 H LEU 53 H LEU 53 -7.559 0.712 9.633 432 HA LEU 53 HA LEU 53 -5.095 -0.379 9.279 433 HB2 LEU 53 1HB LEU 53 -7.113 0.733 7.406 434 HB3 LEU 53 2HB LEU 53 -5.527 0.321 6.756 435 HG LEU 53 HG LEU 53 -7.351 -1.597 8.205 436 HD11 LEU 53 1HD1 LEU 53 -6.739 -1.853 5.317 437 HD12 LEU 53 2HD1 LEU 53 -7.909 -0.625 5.798 438 HD13 LEU 53 3HD1 LEU 53 -8.183 -2.316 6.218 439 HD21 LEU 53 1HD2 LEU 53 -5.554 -3.025 6.695 440 HD22 LEU 53 2HD2 LEU 53 -5.459 -2.760 8.437 441 HD23 LEU 53 3HD2 LEU 53 -4.573 -1.706 7.334 442 H LEU 54 H LEU 54 -3.232 0.612 9.774 443 HA LEU 54 HA LEU 54 -2.764 3.336 8.795 444 HB2 LEU 54 1HB LEU 54 -1.474 1.651 10.914 445 HB3 LEU 54 2HB LEU 54 -0.680 3.091 10.281 446 HG LEU 54 HG LEU 54 -3.410 3.116 11.560 447 HD11 LEU 54 1HD1 LEU 54 -1.419 4.368 13.160 448 HD12 LEU 54 2HD1 LEU 54 -0.902 2.720 12.806 449 HD13 LEU 54 3HD1 LEU 54 -2.470 3.009 13.561 450 HD21 LEU 54 1HD2 LEU 54 -3.262 5.047 10.306 451 HD22 LEU 54 2HD2 LEU 54 -1.518 5.187 10.528 452 HD23 LEU 54 3HD2 LEU 54 -2.611 5.575 11.858 453 H LEU 55 H LEU 55 -2.023 3.277 6.757 454 HA LEU 55 HA LEU 55 -0.141 1.219 5.932 455 HB2 LEU 55 1HB LEU 55 -1.878 3.188 4.590 456 HB3 LEU 55 2HB LEU 55 -0.355 2.828 3.779 457 HG LEU 55 HG LEU 55 -0.944 0.499 3.601 458 HD11 LEU 55 1HD1 LEU 55 -3.308 1.280 5.282 459 HD12 LEU 55 2HD1 LEU 55 -2.099 0.037 5.597 460 HD13 LEU 55 3HD1 LEU 55 -3.281 -0.190 4.308 461 HD21 LEU 55 1HD2 LEU 55 -1.956 1.101 1.720 462 HD22 LEU 55 2HD2 LEU 55 -2.460 2.634 2.432 463 HD23 LEU 55 3HD2 LEU 55 -3.475 1.202 2.611 464 H SER 56 H SER 56 1.991 1.506 5.635 465 HA SER 56 HA SER 56 3.095 4.207 5.542 466 HB2 SER 56 1HB SER 56 4.865 3.432 7.245 467 HB3 SER 56 2HB SER 56 3.273 3.867 7.868 468 HG SER 56 HG SER 56 3.478 1.955 8.768 469 H TYR 57 H TYR 57 4.413 4.277 3.860 470 HA TYR 57 HA TYR 57 5.633 1.805 2.884 471 HB2 TYR 57 1HB TYR 57 5.702 2.760 0.792 472 HB3 TYR 57 2HB TYR 57 4.317 3.609 1.469 473 HD1 TYR 57 1HD TYR 57 4.802 5.899 2.588 474 HD2 TYR 57 2HD TYR 57 7.475 3.970 -0.103 475 HE1 TYR 57 1HE TYR 57 5.900 8.054 2.143 476 HE2 TYR 57 2HE TYR 57 8.581 6.120 -0.554 477 HH TYR 57 HH TYR 57 8.701 8.275 -0.027 478 H GLU 58 H GLU 58 7.832 1.554 2.581 479 HA GLU 58 HA GLU 58 9.508 3.455 4.070 480 HB2 GLU 58 1HB GLU 58 9.479 1.110 4.872 481 HB3 GLU 58 2HB GLU 58 10.096 0.588 3.311 482 HG2 GLU 58 1HG GLU 58 12.003 2.313 3.860 483 HG3 GLU 58 2HG GLU 58 11.478 2.019 5.517 484 H SER 59 H SER 59 10.841 4.728 2.980 485 HA SER 59 HA SER 59 11.126 4.512 0.147 486 HB2 SER 59 1HB SER 59 11.119 6.657 1.560 487 HB3 SER 59 2HB SER 59 12.802 6.277 1.927 488 HG SER 59 HG SER 59 11.979 7.581 -0.128 489 H SER 60 H SER 60 12.529 3.306 -0.928 490 HA SER 60 HA SER 60 14.442 1.664 0.269 491 HB2 SER 60 1HB SER 60 15.206 1.164 -1.981 492 HB3 SER 60 2HB SER 60 13.447 1.290 -1.985 493 HG SER 60 HG SER 60 15.365 3.040 -3.047 494 H LYS 61 H LYS 61 14.871 4.723 -1.493 495 HA LYS 61 HA LYS 61 17.627 4.919 -1.387 496 HB2 LYS 61 1HB LYS 61 17.380 7.200 -1.878 497 HB3 LYS 61 2HB LYS 61 15.929 6.459 -2.541 498 HG2 LYS 61 1HG LYS 61 14.987 8.231 -1.487 499 HG3 LYS 61 2HG LYS 61 14.965 7.072 -0.156 500 HD2 LYS 61 1HD LYS 61 15.902 8.863 0.910 501 HD3 LYS 61 2HD LYS 61 17.364 8.088 0.296 502 HE2 LYS 61 1HE LYS 61 16.983 9.597 -1.780 503 HE3 LYS 61 2HE LYS 61 15.955 10.535 -0.697 504 HZ1 LYS 61 1HZ LYS 61 18.862 10.069 -0.542 505 HZ2 LYS 61 2HZ LYS 61 17.988 10.484 0.846 506 HZ3 LYS 61 3HZ LYS 61 18.014 11.532 -0.482 507 H MET 62 H MET 62 15.372 5.080 1.180 508 HA MET 62 HA MET 62 17.540 5.821 3.019 509 HB2 MET 62 1HB MET 62 15.826 7.688 2.570 510 HB3 MET 62 2HB MET 62 14.700 6.697 3.487 511 HG2 MET 62 1HG MET 62 15.808 7.021 5.467 512 HG3 MET 62 2HG MET 62 17.348 7.345 4.676 513 HE1 MET 62 1HE MET 62 17.337 10.632 3.353 514 HE2 MET 62 2HE MET 62 18.039 10.474 4.963 515 HE3 MET 62 3HE MET 62 18.153 9.138 3.816 516 HA PRO 63 HA PRO 63 15.697 1.799 4.285 517 HB2 PRO 63 1HB PRO 63 18.060 0.730 5.087 518 HB3 PRO 63 2HB PRO 63 17.507 0.687 3.409 519 HG2 PRO 63 1HG PRO 63 19.451 2.551 4.716 520 HG3 PRO 63 2HG PRO 63 19.554 1.755 3.134 521 HD2 PRO 63 1HD PRO 63 18.795 4.339 3.419 522 HD3 PRO 63 2HD PRO 63 18.164 3.295 2.129 523 H GLY 64 H GLY 64 14.833 1.580 6.251 524 HA2 GLY 64 1HA GLY 64 14.976 1.351 8.611 525 HA3 GLY 64 2HA GLY 64 16.389 2.395 8.600 526 H ARG 65 H ARG 65 13.442 3.163 6.876 527 HA ARG 65 HA ARG 65 12.439 4.886 8.957 528 HB2 ARG 65 1HB ARG 65 14.330 6.157 7.809 529 HB3 ARG 65 2HB ARG 65 13.301 6.196 6.384 530 HG2 ARG 65 1HG ARG 65 11.561 7.334 7.754 531 HG3 ARG 65 2HG ARG 65 12.731 7.419 9.072 532 HD2 ARG 65 1HD ARG 65 14.158 8.842 7.846 533 HD3 ARG 65 2HD ARG 65 13.310 8.514 6.335 534 HE ARG 65 HE ARG 65 11.449 9.654 8.020 535 HH11 ARG 65 2HH1 ARG 65 14.510 10.559 6.629 536 HH12 ARG 65 1HH1 ARG 65 14.141 12.251 6.593 537 HH21 ARG 65 2HH2 ARG 65 10.952 11.879 7.978 538 HH22 ARG 65 1HH2 ARG 65 12.117 13.001 7.362 539 H GLU 66 H GLU 66 10.292 4.937 8.821 540 HA GLU 66 HA GLU 66 9.050 4.367 6.210 541 HB2 GLU 66 1HB GLU 66 7.172 3.350 7.521 542 HB3 GLU 66 2HB GLU 66 8.692 2.473 7.626 543 HG2 GLU 66 1HG GLU 66 9.051 3.861 9.785 544 HG3 GLU 66 2HG GLU 66 7.308 4.110 9.701 545 H ILE 67 H ILE 67 7.136 5.456 5.686 546 HA ILE 67 HA ILE 67 6.628 7.862 7.311 547 HB ILE 67 HB ILE 67 6.282 7.484 4.335 548 HG12 ILE 67 1HG1 ILE 67 7.971 9.494 4.459 549 HG13 ILE 67 2HG1 ILE 67 8.328 8.839 6.053 550 HG21 ILE 67 1HG2 ILE 67 5.026 9.324 4.247 551 HG22 ILE 67 2HG2 ILE 67 4.819 9.139 5.988 552 HG23 ILE 67 3HG2 ILE 67 6.084 10.194 5.357 553 HD11 ILE 67 1HD1 ILE 67 9.868 8.040 4.318 554 HD12 ILE 67 2HD1 ILE 67 8.967 6.728 5.079 555 HD13 ILE 67 3HD1 ILE 67 8.508 7.299 3.475 556 H GLU 68 H GLU 68 4.713 7.968 8.266 557 HA GLU 68 HA GLU 68 2.659 6.042 7.657 558 HB2 GLU 68 1HB GLU 68 1.443 7.557 9.460 559 HB3 GLU 68 2HB GLU 68 2.674 6.388 9.918 560 HG2 GLU 68 1HG GLU 68 3.553 9.146 9.272 561 HG3 GLU 68 2HG GLU 68 2.704 8.879 10.793 562 H LEU 69 H LEU 69 1.137 6.312 6.178 563 HA LEU 69 HA LEU 69 0.705 8.891 4.956 564 HB2 LEU 69 1HB LEU 69 -0.856 6.382 4.419 565 HB3 LEU 69 2HB LEU 69 -0.596 7.757 3.347 566 HG LEU 69 HG LEU 69 1.615 5.902 4.208 567 HD11 LEU 69 1HD1 LEU 69 0.009 5.785 1.661 568 HD12 LEU 69 2HD1 LEU 69 -0.160 4.664 3.012 569 HD13 LEU 69 3HD1 LEU 69 1.357 4.742 2.116 570 HD21 LEU 69 1HD2 LEU 69 2.960 7.048 2.797 571 HD22 LEU 69 2HD2 LEU 69 1.826 8.353 3.148 572 HD23 LEU 69 3HD2 LEU 69 1.655 7.409 1.667 573 H GLU 70 H GLU 70 -0.242 10.136 6.585 574 HA GLU 70 HA GLU 70 -2.593 9.281 7.974 575 HB2 GLU 70 1HB GLU 70 -2.671 11.599 8.810 576 HB3 GLU 70 2HB GLU 70 -1.081 10.877 9.006 577 HG2 GLU 70 1HG GLU 70 -0.219 12.104 7.147 578 HG3 GLU 70 2HG GLU 70 -1.825 12.699 6.733 579 H ASN 71 H ASN 71 -1.930 11.138 5.081 580 HA ASN 71 HA ASN 71 -4.681 11.979 4.777 581 HB2 ASN 71 1HB ASN 71 -2.125 12.444 3.325 582 HB3 ASN 71 2HB ASN 71 -3.617 12.603 2.403 583 HD21 ASN 71 1HD2 ASN 71 -5.189 14.133 3.126 584 HD22 ASN 71 2HD2 ASN 71 -4.696 15.521 4.030 585 H ASP 72 H ASP 72 -6.196 10.665 4.031 586 HA ASP 72 HA ASP 72 -5.444 8.340 2.433 587 HB2 ASP 72 1HB ASP 72 -8.259 8.917 3.278 588 HB3 ASP 72 2HB ASP 72 -7.450 7.365 3.076 589 H LEU 73 H LEU 73 -6.780 11.462 2.060 590 HA LEU 73 HA LEU 73 -8.200 10.874 -0.388 591 HB2 LEU 73 1HB LEU 73 -7.506 13.505 0.909 592 HB3 LEU 73 2HB LEU 73 -8.565 13.304 -0.486 593 HG LEU 73 HG LEU 73 -9.110 12.212 2.274 594 HD11 LEU 73 1HD1 LEU 73 -11.043 14.060 1.726 595 HD12 LEU 73 2HD1 LEU 73 -9.602 14.818 1.050 596 HD13 LEU 73 3HD1 LEU 73 -9.630 14.334 2.745 597 HD21 LEU 73 1HD2 LEU 73 -10.720 12.255 -0.271 598 HD22 LEU 73 2HD2 LEU 73 -11.406 11.910 1.317 599 HD23 LEU 73 3HD2 LEU 73 -10.174 10.845 0.638 600 H GLN 74 H GLN 74 -5.043 10.963 0.282 601 HA GLN 74 HA GLN 74 -4.304 12.299 -2.233 602 HB2 GLN 74 1HB GLN 74 -2.722 11.745 0.272 603 HB3 GLN 74 2HB GLN 74 -1.965 12.247 -1.234 604 HG2 GLN 74 1HG GLN 74 -4.149 13.841 0.063 605 HG3 GLN 74 2HG GLN 74 -2.451 14.047 0.487 606 HE21 GLN 74 1HE2 GLN 74 -4.084 16.058 -0.602 607 HE22 GLN 74 2HE2 GLN 74 -3.459 16.476 -2.157 608 HA PRO 75 HA PRO 75 -3.320 8.389 -4.000 609 HB2 PRO 75 1HB PRO 75 -1.599 9.221 -5.928 610 HB3 PRO 75 2HB PRO 75 -3.347 9.470 -6.027 611 HG2 PRO 75 1HG PRO 75 -1.205 11.383 -5.183 612 HG3 PRO 75 2HG PRO 75 -2.612 11.667 -6.224 613 HD2 PRO 75 1HD PRO 75 -2.558 12.398 -3.617 614 HD3 PRO 75 2HD PRO 75 -4.049 11.889 -4.436 615 H LEU 76 H LEU 76 -1.242 7.214 -4.820 616 HA LEU 76 HA LEU 76 0.535 7.033 -2.585 617 HB2 LEU 76 1HB LEU 76 0.450 5.667 -5.262 618 HB3 LEU 76 2HB LEU 76 1.703 5.343 -4.066 619 HG LEU 76 HG LEU 76 -0.059 3.635 -4.062 620 HD11 LEU 76 1HD1 LEU 76 1.172 4.087 -2.013 621 HD12 LEU 76 2HD1 LEU 76 -0.499 3.652 -1.656 622 HD13 LEU 76 3HD1 LEU 76 0.009 5.339 -1.574 623 HD21 LEU 76 1HD2 LEU 76 -1.951 5.674 -2.951 624 HD22 LEU 76 2HD2 LEU 76 -2.294 4.069 -3.599 625 HD23 LEU 76 3HD2 LEU 76 -1.849 5.384 -4.688 626 H GLN 77 H GLN 77 0.653 8.487 -5.756 627 HA GLN 77 HA GLN 77 3.449 8.868 -5.908 628 HB2 GLN 77 1HB GLN 77 2.950 10.485 -7.665 629 HB3 GLN 77 2HB GLN 77 1.976 9.035 -7.865 630 HG2 GLN 77 1HG GLN 77 0.025 10.111 -7.137 631 HG3 GLN 77 2HG GLN 77 0.927 11.469 -6.466 632 HE21 GLN 77 1HE2 GLN 77 -1.252 11.219 -8.523 633 HE22 GLN 77 2HE2 GLN 77 -0.662 12.106 -9.883 634 H PHE 78 H PHE 78 0.863 10.682 -4.403 635 HA PHE 78 HA PHE 78 2.090 13.134 -4.005 636 HB2 PHE 78 1HB PHE 78 -0.269 12.679 -3.464 637 HB3 PHE 78 2HB PHE 78 0.238 11.679 -2.106 638 HD1 PHE 78 2HD PHE 78 0.642 15.135 -3.442 639 HD2 PHE 78 1HD PHE 78 0.360 12.627 -0.014 640 HE1 PHE 78 2HE PHE 78 0.654 17.122 -1.991 641 HE2 PHE 78 1HE PHE 78 0.371 14.610 1.442 642 HZ PHE 78 HZ PHE 78 0.520 16.861 0.454 643 H TYR 79 H TYR 79 2.507 10.110 -2.279 644 HA TYR 79 HA TYR 79 4.253 11.356 -0.309 645 HB2 TYR 79 1HB TYR 79 3.194 8.554 -0.653 646 HB3 TYR 79 2HB TYR 79 4.416 8.957 0.547 647 HD1 TYR 79 2HD TYR 79 3.855 10.477 2.421 648 HD2 TYR 79 1HD TYR 79 0.898 9.136 -0.330 649 HE1 TYR 79 2HE TYR 79 2.091 11.155 3.995 650 HE2 TYR 79 1HE TYR 79 -0.874 9.812 1.236 651 HH TYR 79 HH TYR 79 -1.295 10.426 3.387 652 H SER 80 H SER 80 4.808 10.893 -3.312 653 HA SER 80 HA SER 80 6.620 10.467 -4.619 654 HB2 SER 80 1HB SER 80 7.915 10.677 -1.909 655 HB3 SER 80 2HB SER 80 8.865 10.318 -3.351 656 HG SER 80 HG SER 80 7.098 12.485 -3.421 657 H VAL 81 H VAL 81 4.996 8.275 -3.747 658 HA VAL 81 HA VAL 81 6.792 6.069 -3.194 659 HB VAL 81 HB VAL 81 3.828 6.073 -3.782 660 HG11 VAL 81 1HG1 VAL 81 3.794 3.833 -3.624 661 HG12 VAL 81 2HG1 VAL 81 5.506 3.948 -4.038 662 HG13 VAL 81 3HG1 VAL 81 5.013 3.805 -2.351 663 HG21 VAL 81 1HG2 VAL 81 5.365 6.663 -1.406 664 HG22 VAL 81 2HG2 VAL 81 3.636 6.846 -1.701 665 HG23 VAL 81 3HG2 VAL 81 4.277 5.299 -1.150 666 H GLU 82 H GLU 82 7.580 4.642 -4.631 667 HA GLU 82 HA GLU 82 6.494 4.601 -7.350 668 HB2 GLU 82 1HB GLU 82 9.406 5.021 -6.658 669 HB3 GLU 82 2HB GLU 82 8.820 4.622 -8.267 670 HG2 GLU 82 1HG GLU 82 7.470 6.696 -8.240 671 HG3 GLU 82 2HG GLU 82 8.198 7.106 -6.688 672 H ASN 83 H ASN 83 7.040 2.699 -8.556 673 HA ASN 83 HA ASN 83 6.705 0.314 -7.331 674 HB2 ASN 83 1HB ASN 83 7.905 -0.724 -9.301 675 HB3 ASN 83 2HB ASN 83 6.623 0.410 -9.715 676 HD21 ASN 83 1HD2 ASN 83 8.934 -0.458 -11.265 677 HD22 ASN 83 2HD2 ASN 83 9.806 0.979 -11.665 678 H GLY 84 H GLY 84 7.940 -1.288 -6.405 679 HA2 GLY 84 1HA GLY 84 10.063 -2.305 -5.898 680 HA3 GLY 84 2HA GLY 84 10.805 -0.717 -6.023 681 H ASP 85 H ASP 85 9.009 0.749 -4.446 682 HA ASP 85 HA ASP 85 10.069 0.495 -1.919 683 HB2 ASP 85 1HB ASP 85 7.466 1.681 -2.865 684 HB3 ASP 85 2HB ASP 85 7.954 1.750 -1.174 685 H CYS 86 H CYS 86 8.543 0.173 0.101 686 HA CYS 86 HA CYS 86 7.232 -2.447 -0.222 687 HB2 CYS 86 1HB CYS 86 9.058 -1.402 1.917 688 HB3 CYS 86 2HB CYS 86 7.883 -2.654 2.301 689 HG CYS 86 HG CYS 86 10.469 -2.875 0.077 690 H LEU 87 H LEU 87 5.349 -2.849 0.948 691 HA LEU 87 HA LEU 87 4.027 -0.433 1.986 692 HB2 LEU 87 1HB LEU 87 2.976 -2.896 0.634 693 HB3 LEU 87 2HB LEU 87 1.923 -1.849 1.583 694 HG LEU 87 HG LEU 87 3.450 -1.082 -0.903 695 HD11 LEU 87 1HD1 LEU 87 1.177 -0.774 -1.831 696 HD12 LEU 87 2HD1 LEU 87 0.512 -1.476 -0.357 697 HD13 LEU 87 3HD1 LEU 87 1.537 -2.449 -1.412 698 HD21 LEU 87 1HD2 LEU 87 1.755 0.952 -0.491 699 HD22 LEU 87 2HD2 LEU 87 3.417 0.944 0.099 700 HD23 LEU 87 3HD2 LEU 87 2.094 0.511 1.182 701 H LEU 88 H LEU 88 3.822 -0.336 4.114 702 HA LEU 88 HA LEU 88 3.863 -2.825 5.667 703 HB2 LEU 88 1HB LEU 88 4.179 0.003 6.654 704 HB3 LEU 88 2HB LEU 88 4.474 -1.478 7.563 705 HG LEU 88 HG LEU 88 6.075 -0.828 5.111 706 HD11 LEU 88 1HD1 LEU 88 6.434 1.120 6.358 707 HD12 LEU 88 2HD1 LEU 88 7.781 0.065 6.785 708 HD13 LEU 88 3HD1 LEU 88 6.420 0.248 7.892 709 HD21 LEU 88 1HD2 LEU 88 7.768 -2.134 6.527 710 HD22 LEU 88 2HD2 LEU 88 6.435 -3.029 5.798 711 HD23 LEU 88 3HD2 LEU 88 6.381 -2.604 7.509 712 H VAL 89 H VAL 89 1.887 -3.602 6.029 713 HA VAL 89 HA VAL 89 -0.369 -1.792 6.380 714 HB VAL 89 HB VAL 89 -0.286 -4.811 6.276 715 HG11 VAL 89 1HG1 VAL 89 -2.355 -2.973 7.087 716 HG12 VAL 89 2HG1 VAL 89 -2.852 -3.903 5.672 717 HG13 VAL 89 3HG1 VAL 89 -2.334 -4.735 7.139 718 HG21 VAL 89 1HG2 VAL 89 -1.079 -4.634 4.041 719 HG22 VAL 89 2HG2 VAL 89 -1.309 -2.892 4.191 720 HG23 VAL 89 3HG2 VAL 89 0.320 -3.569 4.174 721 H ARG 90 H ARG 90 -1.074 -1.175 8.309 722 HA ARG 90 HA ARG 90 -0.633 -2.929 10.621 723 HB2 ARG 90 1HB ARG 90 0.292 -0.131 10.246 724 HB3 ARG 90 2HB ARG 90 -0.353 -0.554 11.826 725 HG2 ARG 90 1HG ARG 90 1.365 -1.986 12.301 726 HG3 ARG 90 2HG ARG 90 1.685 -2.338 10.602 727 HD2 ARG 90 1HD ARG 90 3.504 -1.033 11.379 728 HD3 ARG 90 2HD ARG 90 2.511 0.030 10.383 729 HE ARG 90 HE ARG 90 2.087 1.305 12.233 730 HH11 ARG 90 2HH1 ARG 90 3.351 -1.778 13.242 731 HH12 ARG 90 1HH1 ARG 90 3.499 -1.319 14.907 732 HH21 ARG 90 2HH2 ARG 90 2.276 1.920 14.421 733 HH22 ARG 90 1HH2 ARG 90 2.886 0.784 15.576 734 H TRP 91 H TRP 91 -1.933 -2.088 12.561 735 HA TRP 91 HA TRP 91 -4.186 -0.446 12.183 736 HB2 TRP 91 1HB TRP 91 -5.972 -2.011 11.958 737 HB3 TRP 91 2HB TRP 91 -4.801 -2.401 10.701 738 HD1 TRP 91 HD TRP 91 -5.926 -3.675 14.175 739 HE1 TRP 91 1HE TRP 91 -5.431 -6.198 14.298 740 HE3 TRP 91 3HE TRP 91 -3.511 -4.247 9.705 741 HZ2 TRP 91 2HZ TRP 91 -4.181 -8.169 12.710 742 HZ3 TRP 91 3HZ TRP 91 -2.696 -6.483 9.083 743 HH2 TRP 91 HH TRP 91 -3.024 -8.402 10.556 744 H SER 92 H SER 92 -5.311 -0.111 14.086 745 HA SER 92 HA SER 92 -4.041 -1.216 16.461 746 HB2 SER 92 1HB SER 92 -4.279 1.122 16.610 747 HB3 SER 92 2HB SER 92 -5.923 1.085 15.972 748 HG SER 92 HG SER 92 -5.264 -0.170 18.412 749 H GLY 93 H GLY 93 -4.838 -2.948 17.437 750 HA2 GLY 93 1HA GLY 93 -7.747 -3.441 17.245 751 HA3 GLY 93 2HA GLY 93 -6.553 -4.730 17.214 752 HA PRO 94 HA PRO 94 -6.851 -5.187 21.558 753 HB2 PRO 94 1HB PRO 94 -4.302 -5.827 22.240 754 HB3 PRO 94 2HB PRO 94 -5.373 -6.936 21.374 755 HG2 PRO 94 1HG PRO 94 -3.210 -5.166 20.301 756 HG3 PRO 94 2HG PRO 94 -3.590 -6.847 19.884 757 HD2 PRO 94 1HD PRO 94 -4.350 -4.757 18.340 758 HD3 PRO 94 2HD PRO 94 -5.313 -6.242 18.478 759 H SER 95 H SER 95 -4.121 -3.193 20.481 760 HA SER 95 HA SER 95 -2.996 -1.480 21.522 761 HB2 SER 95 1HB SER 95 -4.573 0.356 22.242 762 HB3 SER 95 2HB SER 95 -4.848 -0.258 20.613 763 HG SER 95 HG SER 95 -6.819 -0.503 21.311 764 H SER 96 H SER 96 -2.998 -3.668 23.188 765 HA SER 96 HA SER 96 -3.981 -3.094 25.793 766 HB2 SER 96 1HB SER 96 -1.979 -5.070 24.713 767 HB3 SER 96 2HB SER 96 -2.286 -4.925 26.444 768 HG SER 96 HG SER 96 -3.659 -6.478 25.658 769 H GLY 97 H GLY 97 -3.314 -1.223 26.700 770 HA2 GLY 97 1HA GLY 97 -0.406 -0.922 27.102 771 HA3 GLY 97 2HA GLY 97 -1.399 0.452 26.638 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -11.904 -4.569 -16.307 2 HA2 GLY 1 1HA GLY 1 -11.101 -4.408 -19.034 3 HA3 GLY 1 2HA GLY 1 -12.606 -3.538 -18.776 4 H SER 2 H SER 2 -10.073 -2.433 -19.579 5 HA SER 2 HA SER 2 -9.807 -0.443 -17.459 6 HB2 SER 2 1HB SER 2 -7.340 -0.508 -17.583 7 HB3 SER 2 2HB SER 2 -8.003 -2.036 -17.005 8 HG SER 2 HG SER 2 -6.401 -2.369 -18.592 9 H SER 3 H SER 3 -10.300 1.397 -18.440 10 HA SER 3 HA SER 3 -9.299 1.846 -21.175 11 HB2 SER 3 1HB SER 3 -11.201 3.332 -21.531 12 HB3 SER 3 2HB SER 3 -11.771 1.748 -21.006 13 HG SER 3 HG SER 3 -12.101 2.580 -18.951 14 H GLY 4 H GLY 4 -8.297 3.775 -21.667 15 HA2 GLY 4 1HA GLY 4 -7.072 5.679 -21.292 16 HA3 GLY 4 2HA GLY 4 -8.239 6.059 -20.034 17 H SER 5 H SER 5 -5.310 6.430 -20.125 18 HA SER 5 HA SER 5 -4.412 4.611 -18.013 19 HB2 SER 5 1HB SER 5 -3.032 6.384 -19.982 20 HB3 SER 5 2HB SER 5 -2.211 6.019 -18.465 21 HG SER 5 HG SER 5 -3.071 4.231 -20.478 22 H SER 6 H SER 6 -5.672 5.500 -16.322 23 HA SER 6 HA SER 6 -5.201 8.274 -15.574 24 HB2 SER 6 1HB SER 6 -6.842 7.771 -13.747 25 HB3 SER 6 2HB SER 6 -7.478 7.499 -15.369 26 HG SER 6 HG SER 6 -6.354 5.244 -14.565 27 H GLY 7 H GLY 7 -2.879 6.781 -15.483 28 HA2 GLY 7 1HA GLY 7 -1.293 7.274 -13.616 29 HA3 GLY 7 2HA GLY 7 -2.448 6.453 -12.577 30 H GLN 8 H GLN 8 0.347 5.819 -12.977 31 HA GLN 8 HA GLN 8 0.254 3.295 -14.452 32 HB2 GLN 8 1HB GLN 8 2.676 3.269 -14.225 33 HB3 GLN 8 2HB GLN 8 2.145 4.814 -14.874 34 HG2 GLN 8 1HG GLN 8 2.342 5.789 -12.615 35 HG3 GLN 8 2HG GLN 8 2.977 4.249 -12.039 36 HE21 GLN 8 1HE2 GLN 8 5.081 3.802 -12.307 37 HE22 GLN 8 2HE2 GLN 8 6.207 4.823 -13.126 38 H LEU 9 H LEU 9 0.955 1.322 -13.498 39 HA LEU 9 HA LEU 9 0.177 1.102 -10.708 40 HB2 LEU 9 1HB LEU 9 0.556 -0.773 -12.976 41 HB3 LEU 9 2HB LEU 9 0.757 -1.412 -11.346 42 HG LEU 9 HG LEU 9 -1.612 -0.193 -11.047 43 HD11 LEU 9 1HD1 LEU 9 -2.296 0.563 -13.048 44 HD12 LEU 9 2HD1 LEU 9 -2.731 -1.123 -13.327 45 HD13 LEU 9 3HD1 LEU 9 -1.202 -0.494 -13.941 46 HD21 LEU 9 1HD2 LEU 9 -2.621 -2.444 -11.595 47 HD22 LEU 9 2HD2 LEU 9 -1.295 -2.453 -10.432 48 HD23 LEU 9 3HD2 LEU 9 -1.008 -2.945 -12.102 49 H LEU 10 H LEU 10 1.508 0.674 -9.038 50 HA LEU 10 HA LEU 10 4.382 0.519 -9.630 51 HB2 LEU 10 1HB LEU 10 3.377 1.063 -6.890 52 HB3 LEU 10 2HB LEU 10 4.818 1.668 -7.704 53 HG LEU 10 HG LEU 10 1.986 2.631 -8.097 54 HD11 LEU 10 1HD1 LEU 10 4.207 3.448 -6.396 55 HD12 LEU 10 2HD1 LEU 10 2.496 3.862 -6.307 56 HD13 LEU 10 3HD1 LEU 10 3.564 4.757 -7.387 57 HD21 LEU 10 1HD2 LEU 10 4.017 2.617 -9.977 58 HD22 LEU 10 2HD2 LEU 10 4.102 4.230 -9.269 59 HD23 LEU 10 3HD2 LEU 10 2.592 3.656 -9.978 60 H THR 11 H THR 11 5.539 -1.223 -9.077 61 HA THR 11 HA THR 11 4.144 -3.492 -7.922 62 HB THR 11 HB THR 11 6.968 -3.285 -8.987 63 HG1 THR 11 1HG THR 11 5.837 -3.253 -10.797 64 HG21 THR 11 1HG2 THR 11 7.244 -5.227 -7.893 65 HG22 THR 11 2HG2 THR 11 6.199 -5.917 -9.135 66 HG23 THR 11 3HG2 THR 11 5.516 -5.404 -7.592 67 H LEU 12 H LEU 12 3.941 -3.281 -5.752 68 HA LEU 12 HA LEU 12 6.433 -2.980 -4.211 69 HB2 LEU 12 1HB LEU 12 3.727 -2.059 -3.276 70 HB3 LEU 12 2HB LEU 12 5.293 -1.746 -2.530 71 HG LEU 12 HG LEU 12 4.658 -0.690 -5.263 72 HD11 LEU 12 1HD1 LEU 12 3.566 0.201 -2.668 73 HD12 LEU 12 2HD1 LEU 12 2.919 0.382 -4.298 74 HD13 LEU 12 3HD1 LEU 12 4.199 1.456 -3.733 75 HD21 LEU 12 1HD2 LEU 12 6.842 -0.210 -4.942 76 HD22 LEU 12 2HD2 LEU 12 6.718 -0.303 -3.185 77 HD23 LEU 12 3HD2 LEU 12 6.180 1.148 -4.032 78 H LYS 13 H LYS 13 6.043 -3.774 -1.861 79 HA LYS 13 HA LYS 13 4.634 -6.358 -2.022 80 HB2 LYS 13 1HB LYS 13 7.176 -5.545 -0.636 81 HB3 LYS 13 2HB LYS 13 6.276 -6.964 -0.117 82 HG2 LYS 13 1HG LYS 13 6.621 -8.064 -2.166 83 HG3 LYS 13 2HG LYS 13 7.160 -6.582 -2.960 84 HD2 LYS 13 1HD LYS 13 9.239 -6.647 -1.962 85 HD3 LYS 13 2HD LYS 13 8.670 -7.612 -0.598 86 HE2 LYS 13 1HE LYS 13 8.466 -9.560 -2.049 87 HE3 LYS 13 2HE LYS 13 8.986 -8.599 -3.432 88 HZ1 LYS 13 1HZ LYS 13 11.031 -8.157 -1.876 89 HZ2 LYS 13 2HZ LYS 13 10.949 -9.549 -2.834 90 HZ3 LYS 13 3HZ LYS 13 10.560 -9.630 -1.190 91 H ILE 14 H ILE 14 3.096 -6.809 -0.563 92 HA ILE 14 HA ILE 14 2.580 -4.805 1.520 93 HB ILE 14 HB ILE 14 0.733 -6.906 0.382 94 HG12 ILE 14 1HG1 ILE 14 -0.429 -4.603 -0.293 95 HG13 ILE 14 2HG1 ILE 14 1.236 -4.033 -0.238 96 HG21 ILE 14 1HG2 ILE 14 0.602 -5.324 2.783 97 HG22 ILE 14 2HG2 ILE 14 -0.732 -4.927 1.700 98 HG23 ILE 14 3HG2 ILE 14 -0.482 -6.595 2.216 99 HD11 ILE 14 1HD1 ILE 14 -0.075 -5.375 -2.327 100 HD12 ILE 14 2HD1 ILE 14 1.616 -4.881 -2.240 101 HD13 ILE 14 3HD1 ILE 14 1.136 -6.486 -1.688 102 H LYS 15 H LYS 15 2.940 -5.282 3.579 103 HA LYS 15 HA LYS 15 2.660 -8.018 4.531 104 HB2 LYS 15 1HB LYS 15 5.005 -7.920 3.882 105 HB3 LYS 15 2HB LYS 15 5.226 -6.445 4.814 106 HG2 LYS 15 1HG LYS 15 4.380 -7.971 6.788 107 HG3 LYS 15 2HG LYS 15 4.976 -9.257 5.736 108 HD2 LYS 15 1HD LYS 15 6.837 -8.757 7.026 109 HD3 LYS 15 2HD LYS 15 7.111 -7.793 5.573 110 HE2 LYS 15 1HE LYS 15 6.545 -5.803 6.641 111 HE3 LYS 15 2HE LYS 15 5.681 -6.632 7.935 112 HZ1 LYS 15 1HZ LYS 15 7.891 -5.687 8.561 113 HZ2 LYS 15 2HZ LYS 15 8.614 -6.838 7.554 114 HZ3 LYS 15 3HZ LYS 15 7.710 -7.336 8.894 115 H CYS 16 H CYS 16 1.845 -8.104 6.544 116 HA CYS 16 HA CYS 16 1.176 -5.616 7.849 117 HB2 CYS 16 1HB CYS 16 -0.542 -7.282 7.801 118 HB3 CYS 16 2HB CYS 16 0.537 -8.500 8.472 119 HG CYS 16 HG CYS 16 0.404 -7.759 11.012 120 H SER 17 H SER 17 2.479 -4.646 9.240 121 HA SER 17 HA SER 17 4.879 -5.611 10.196 122 HB2 SER 17 1HB SER 17 3.030 -3.476 11.245 123 HB3 SER 17 2HB SER 17 4.570 -3.828 12.027 124 HG SER 17 HG SER 17 5.043 -2.278 10.570 125 H ASN 18 H ASN 18 1.850 -5.351 12.065 126 HA ASN 18 HA ASN 18 2.711 -6.637 14.363 127 HB2 ASN 18 1HB ASN 18 -0.044 -6.587 13.116 128 HB3 ASN 18 2HB ASN 18 0.291 -7.152 14.750 129 HD21 ASN 18 1HD2 ASN 18 0.874 -5.675 16.335 130 HD22 ASN 18 2HD2 ASN 18 0.628 -3.975 16.141 131 H GLN 19 H GLN 19 2.266 -7.935 11.269 132 HA GLN 19 HA GLN 19 2.293 -10.669 12.367 133 HB2 GLN 19 1HB GLN 19 0.790 -9.483 10.103 134 HB3 GLN 19 2HB GLN 19 1.447 -11.094 9.848 135 HG2 GLN 19 1HG GLN 19 -0.551 -10.196 11.892 136 HG3 GLN 19 2HG GLN 19 -0.731 -11.421 10.638 137 HE21 GLN 19 1HE2 GLN 19 -0.143 -10.888 13.862 138 HE22 GLN 19 2HE2 GLN 19 0.495 -12.438 14.283 139 HA PRO 20 HA PRO 20 6.334 -10.058 10.270 140 HB2 PRO 20 1HB PRO 20 7.704 -11.643 11.997 141 HB3 PRO 20 2HB PRO 20 7.372 -9.937 12.316 142 HG2 PRO 20 1HG PRO 20 5.946 -12.366 13.330 143 HG3 PRO 20 2HG PRO 20 6.415 -10.897 14.206 144 HD2 PRO 20 1HD PRO 20 3.894 -11.318 13.312 145 HD3 PRO 20 2HD PRO 20 4.612 -9.698 13.413 146 H GLU 21 H GLU 21 4.815 -13.014 11.493 147 HA GLU 21 HA GLU 21 6.310 -14.843 9.963 148 HB2 GLU 21 1HB GLU 21 4.838 -15.383 11.938 149 HB3 GLU 21 2HB GLU 21 3.453 -15.195 10.872 150 HG2 GLU 21 1HG GLU 21 4.262 -17.550 11.269 151 HG3 GLU 21 2HG GLU 21 4.046 -17.066 9.588 152 H ARG 22 H ARG 22 3.037 -13.543 9.399 153 HA ARG 22 HA ARG 22 2.319 -14.679 7.075 154 HB2 ARG 22 1HB ARG 22 2.061 -11.816 7.954 155 HB3 ARG 22 2HB ARG 22 1.394 -12.355 6.419 156 HG2 ARG 22 1HG ARG 22 0.292 -14.207 7.926 157 HG3 ARG 22 2HG ARG 22 0.547 -13.004 9.191 158 HD2 ARG 22 1HD ARG 22 -1.549 -12.422 8.453 159 HD3 ARG 22 2HD ARG 22 -0.539 -11.383 7.447 160 HE ARG 22 HE ARG 22 -1.277 -12.524 5.615 161 HH11 ARG 22 2HH1 ARG 22 -1.868 -14.457 8.449 162 HH12 ARG 22 1HH1 ARG 22 -2.750 -15.678 7.593 163 HH21 ARG 22 2HH2 ARG 22 -2.436 -14.125 4.476 164 HH22 ARG 22 1HH2 ARG 22 -3.072 -15.488 5.333 165 H GLN 23 H GLN 23 3.672 -15.221 5.470 166 HA GLN 23 HA GLN 23 5.978 -14.020 4.642 167 HB2 GLN 23 1HB GLN 23 5.226 -16.188 3.802 168 HB3 GLN 23 2HB GLN 23 3.936 -15.407 2.897 169 HG2 GLN 23 1HG GLN 23 5.473 -14.375 1.421 170 HG3 GLN 23 2HG GLN 23 6.845 -14.826 2.432 171 HE21 GLN 23 1HE2 GLN 23 5.501 -15.484 -0.387 172 HE22 GLN 23 2HE2 GLN 23 5.870 -17.164 -0.550 173 H ILE 24 H ILE 24 6.573 -12.485 3.118 174 HA ILE 24 HA ILE 24 4.761 -10.293 2.814 175 HB ILE 24 HB ILE 24 7.479 -10.686 1.557 176 HG12 ILE 24 1HG1 ILE 24 6.783 -9.129 4.050 177 HG13 ILE 24 2HG1 ILE 24 7.389 -10.781 4.082 178 HG21 ILE 24 1HG2 ILE 24 5.531 -8.459 1.592 179 HG22 ILE 24 2HG2 ILE 24 7.231 -8.039 1.794 180 HG23 ILE 24 3HG2 ILE 24 6.705 -8.921 0.360 181 HD11 ILE 24 1HD1 ILE 24 8.893 -8.472 4.133 182 HD12 ILE 24 2HD1 ILE 24 9.483 -10.104 3.817 183 HD13 ILE 24 3HD1 ILE 24 9.054 -9.046 2.474 184 H LEU 25 H LEU 25 3.449 -9.832 1.169 185 HA LEU 25 HA LEU 25 3.515 -11.572 -1.185 186 HB2 LEU 25 1HB LEU 25 1.433 -9.937 0.168 187 HB3 LEU 25 2HB LEU 25 1.274 -10.213 -1.565 188 HG LEU 25 HG LEU 25 1.592 -12.732 -0.849 189 HD11 LEU 25 1HD1 LEU 25 0.939 -11.310 1.672 190 HD12 LEU 25 2HD1 LEU 25 1.907 -12.759 1.405 191 HD13 LEU 25 3HD1 LEU 25 0.146 -12.855 1.363 192 HD21 LEU 25 1HD2 LEU 25 -0.979 -12.710 -0.401 193 HD22 LEU 25 2HD2 LEU 25 -0.351 -12.243 -1.982 194 HD23 LEU 25 3HD2 LEU 25 -0.841 -11.003 -0.826 195 H GLU 26 H GLU 26 2.482 -10.245 -3.180 196 HA GLU 26 HA GLU 26 3.752 -7.634 -3.439 197 HB2 GLU 26 1HB GLU 26 5.266 -9.667 -4.202 198 HB3 GLU 26 2HB GLU 26 4.264 -9.581 -5.643 199 HG2 GLU 26 1HG GLU 26 4.873 -7.157 -5.808 200 HG3 GLU 26 2HG GLU 26 6.037 -7.435 -4.514 201 H LYS 27 H LYS 27 2.176 -6.368 -4.143 202 HA LYS 27 HA LYS 27 0.419 -7.369 -6.284 203 HB2 LYS 27 1HB LYS 27 -0.534 -7.057 -3.834 204 HB3 LYS 27 2HB LYS 27 -0.611 -5.368 -4.321 205 HG2 LYS 27 1HG LYS 27 -2.237 -5.748 -5.888 206 HG3 LYS 27 2HG LYS 27 -1.770 -7.434 -6.123 207 HD2 LYS 27 1HD LYS 27 -3.769 -7.619 -4.960 208 HD3 LYS 27 2HD LYS 27 -2.565 -7.738 -3.674 209 HE2 LYS 27 1HE LYS 27 -3.806 -5.115 -4.447 210 HE3 LYS 27 2HE LYS 27 -4.577 -6.200 -3.292 211 HZ1 LYS 27 1HZ LYS 27 -3.304 -5.274 -1.752 212 HZ2 LYS 27 2HZ LYS 27 -2.401 -4.420 -2.899 213 HZ3 LYS 27 3HZ LYS 27 -1.958 -5.997 -2.477 214 H GLN 28 H GLN 28 -0.455 -5.730 -7.693 215 HA GLN 28 HA GLN 28 1.256 -3.335 -7.818 216 HB2 GLN 28 1HB GLN 28 0.041 -5.017 -10.001 217 HB3 GLN 28 2HB GLN 28 0.638 -3.391 -10.301 218 HG2 GLN 28 1HG GLN 28 2.848 -4.150 -9.374 219 HG3 GLN 28 2HG GLN 28 2.203 -5.790 -9.400 220 HE21 GLN 28 1HE2 GLN 28 2.334 -6.918 -11.226 221 HE22 GLN 28 2HE2 GLN 28 2.814 -6.285 -12.759 222 H LEU 29 H LEU 29 0.284 -1.444 -7.551 223 HA LEU 29 HA LEU 29 -2.551 -1.181 -8.272 224 HB2 LEU 29 1HB LEU 29 -1.280 -0.214 -5.715 225 HB3 LEU 29 2HB LEU 29 -2.915 0.179 -6.244 226 HG LEU 29 HG LEU 29 -3.059 -1.518 -4.572 227 HD11 LEU 29 1HD1 LEU 29 -4.623 -2.672 -5.661 228 HD12 LEU 29 2HD1 LEU 29 -3.454 -3.357 -6.790 229 HD13 LEU 29 3HD1 LEU 29 -4.138 -1.760 -7.091 230 HD21 LEU 29 1HD2 LEU 29 -1.652 -3.251 -4.325 231 HD22 LEU 29 2HD2 LEU 29 -0.595 -2.314 -5.382 232 HD23 LEU 29 3HD2 LEU 29 -1.606 -3.594 -6.054 233 HA PRO 30 HA PRO 30 -1.217 2.480 -10.318 234 HB2 PRO 30 1HB PRO 30 -3.590 3.793 -10.447 235 HB3 PRO 30 2HB PRO 30 -3.211 2.391 -11.455 236 HG2 PRO 30 1HG PRO 30 -4.810 2.529 -8.928 237 HG3 PRO 30 2HG PRO 30 -5.150 1.633 -10.420 238 HD2 PRO 30 1HD PRO 30 -4.097 0.455 -8.221 239 HD3 PRO 30 2HD PRO 30 -3.710 -0.080 -9.868 240 H ASP 31 H ASP 31 -0.045 4.025 -9.383 241 HA ASP 31 HA ASP 31 -0.090 4.954 -6.848 242 HB2 ASP 31 1HB ASP 31 0.988 7.023 -7.664 243 HB3 ASP 31 2HB ASP 31 1.651 5.582 -8.432 244 H SER 32 H SER 32 -2.362 5.725 -9.338 245 HA SER 32 HA SER 32 -3.415 8.117 -8.290 246 HB2 SER 32 1HB SER 32 -3.818 6.916 -10.591 247 HB3 SER 32 2HB SER 32 -5.159 6.154 -9.736 248 HG SER 32 HG SER 32 -5.790 8.364 -9.161 249 H MET 33 H MET 33 -4.340 4.727 -7.806 250 HA MET 33 HA MET 33 -6.620 4.944 -6.340 251 HB2 MET 33 1HB MET 33 -5.079 2.878 -6.952 252 HB3 MET 33 2HB MET 33 -4.527 3.091 -5.296 253 HG2 MET 33 1HG MET 33 -6.514 2.448 -4.398 254 HG3 MET 33 2HG MET 33 -7.450 3.019 -5.778 255 HE1 MET 33 1HE MET 33 -6.336 -1.012 -4.621 256 HE2 MET 33 2HE MET 33 -4.792 -0.312 -5.107 257 HE3 MET 33 3HE MET 33 -5.797 0.511 -3.913 258 H THR 34 H THR 34 -7.097 6.266 -4.720 259 HA THR 34 HA THR 34 -5.222 7.546 -3.068 260 HB THR 34 HB THR 34 -7.257 8.037 -1.598 261 HG1 THR 34 1HG THR 34 -8.801 6.615 -2.024 262 HG21 THR 34 1HG2 THR 34 -8.234 9.017 -4.093 263 HG22 THR 34 2HG2 THR 34 -6.471 9.032 -4.132 264 HG23 THR 34 3HG2 THR 34 -7.332 9.878 -2.847 265 H VAL 35 H VAL 35 -4.573 7.202 -0.960 266 HA VAL 35 HA VAL 35 -3.974 4.712 -0.069 267 HB VAL 35 HB VAL 35 -4.641 7.105 1.650 268 HG11 VAL 35 1HG1 VAL 35 -3.465 4.434 2.310 269 HG12 VAL 35 2HG1 VAL 35 -3.010 5.866 3.236 270 HG13 VAL 35 3HG1 VAL 35 -4.698 5.356 3.170 271 HG21 VAL 35 1HG2 VAL 35 -1.858 6.456 1.472 272 HG22 VAL 35 2HG2 VAL 35 -2.531 6.626 -0.149 273 HG23 VAL 35 3HG2 VAL 35 -2.685 7.944 1.012 274 H GLN 36 H GLN 36 -6.961 6.491 0.581 275 HA GLN 36 HA GLN 36 -8.121 4.788 2.439 276 HB2 GLN 36 1HB GLN 36 -8.929 7.070 1.477 277 HB3 GLN 36 2HB GLN 36 -9.768 6.081 0.290 278 HG2 GLN 36 1HG GLN 36 -10.867 4.879 2.176 279 HG3 GLN 36 2HG GLN 36 -10.138 6.050 3.273 280 HE21 GLN 36 1HE2 GLN 36 -10.715 8.290 3.001 281 HE22 GLN 36 2HE2 GLN 36 -12.270 8.702 2.371 282 H LYS 37 H LYS 37 -8.282 4.662 -1.105 283 HA LYS 37 HA LYS 37 -10.020 2.514 -1.380 284 HB2 LYS 37 1HB LYS 37 -7.699 3.395 -3.096 285 HB3 LYS 37 2HB LYS 37 -8.811 2.119 -3.571 286 HG2 LYS 37 1HG LYS 37 -9.806 4.844 -2.830 287 HG3 LYS 37 2HG LYS 37 -9.220 4.487 -4.456 288 HD2 LYS 37 1HD LYS 37 -11.281 2.748 -3.146 289 HD3 LYS 37 2HD LYS 37 -11.744 4.244 -3.961 290 HE2 LYS 37 1HE LYS 37 -10.607 3.425 -6.004 291 HE3 LYS 37 2HE LYS 37 -10.278 1.904 -5.176 292 HZ1 LYS 37 1HZ LYS 37 -12.770 2.913 -6.282 293 HZ2 LYS 37 2HZ LYS 37 -12.896 2.085 -4.812 294 HZ3 LYS 37 3HZ LYS 37 -12.206 1.323 -6.155 295 H VAL 38 H VAL 38 -6.455 2.429 -1.331 296 HA VAL 38 HA VAL 38 -6.094 -0.306 -1.490 297 HB VAL 38 HB VAL 38 -4.436 1.645 0.115 298 HG11 VAL 38 1HG1 VAL 38 -3.329 -0.822 -1.130 299 HG12 VAL 38 2HG1 VAL 38 -2.784 0.069 0.292 300 HG13 VAL 38 3HG1 VAL 38 -4.211 -0.963 0.390 301 HG21 VAL 38 1HG2 VAL 38 -4.832 2.136 -2.349 302 HG22 VAL 38 2HG2 VAL 38 -3.153 2.023 -1.823 303 HG23 VAL 38 3HG2 VAL 38 -3.901 0.676 -2.680 304 H LYS 39 H LYS 39 -6.670 1.685 1.382 305 HA LYS 39 HA LYS 39 -6.431 -0.448 3.245 306 HB2 LYS 39 1HB LYS 39 -7.723 2.274 3.433 307 HB3 LYS 39 2HB LYS 39 -7.628 1.160 4.790 308 HG2 LYS 39 1HG LYS 39 -5.237 1.246 4.776 309 HG3 LYS 39 2HG LYS 39 -5.234 2.187 3.282 310 HD2 LYS 39 1HD LYS 39 -6.237 4.063 4.393 311 HD3 LYS 39 2HD LYS 39 -6.482 3.119 5.865 312 HE2 LYS 39 1HE LYS 39 -4.104 2.960 6.214 313 HE3 LYS 39 2HE LYS 39 -3.786 3.742 4.666 314 HZ1 LYS 39 1HZ LYS 39 -3.885 5.021 7.019 315 HZ2 LYS 39 2HZ LYS 39 -5.465 5.259 6.463 316 HZ3 LYS 39 3HZ LYS 39 -4.153 5.763 5.522 317 H GLY 40 H GLY 40 -9.123 0.956 1.460 318 HA2 GLY 40 1HA GLY 40 -11.181 -0.418 2.859 319 HA3 GLY 40 2HA GLY 40 -11.329 0.332 1.277 320 H LEU 41 H LEU 41 -9.210 -1.229 0.063 321 HA LEU 41 HA LEU 41 -10.718 -3.398 -0.882 322 HB2 LEU 41 1HB LEU 41 -9.060 -2.579 -2.312 323 HB3 LEU 41 2HB LEU 41 -7.818 -2.660 -1.064 324 HG LEU 41 HG LEU 41 -8.319 -5.261 -1.273 325 HD11 LEU 41 1HD1 LEU 41 -10.074 -5.126 -2.891 326 HD12 LEU 41 2HD1 LEU 41 -8.652 -5.811 -3.678 327 HD13 LEU 41 3HD1 LEU 41 -9.085 -4.124 -3.955 328 HD21 LEU 41 1HD2 LEU 41 -6.480 -5.334 -2.986 329 HD22 LEU 41 2HD2 LEU 41 -6.134 -4.373 -1.547 330 HD23 LEU 41 3HD2 LEU 41 -6.577 -3.574 -3.057 331 H LEU 42 H LEU 42 -8.209 -3.191 1.590 332 HA LEU 42 HA LEU 42 -8.317 -6.056 2.073 333 HB2 LEU 42 1HB LEU 42 -6.786 -3.931 3.562 334 HB3 LEU 42 2HB LEU 42 -6.552 -5.674 3.675 335 HG LEU 42 HG LEU 42 -6.058 -4.074 1.168 336 HD11 LEU 42 1HD1 LEU 42 -3.843 -5.159 2.821 337 HD12 LEU 42 2HD1 LEU 42 -4.609 -3.657 3.337 338 HD13 LEU 42 3HD1 LEU 42 -3.874 -3.767 1.738 339 HD21 LEU 42 1HD2 LEU 42 -5.949 -6.915 1.900 340 HD22 LEU 42 2HD2 LEU 42 -4.532 -6.313 1.040 341 HD23 LEU 42 3HD2 LEU 42 -6.135 -6.153 0.321 342 H SER 43 H SER 43 -9.360 -3.051 3.560 343 HA SER 43 HA SER 43 -9.990 -3.675 6.100 344 HB2 SER 43 1HB SER 43 -10.601 -1.518 5.373 345 HB3 SER 43 2HB SER 43 -11.596 -2.147 4.059 346 HG SER 43 HG SER 43 -12.301 -2.865 6.657 347 H ARG 44 H ARG 44 -11.751 -4.763 3.242 348 HA ARG 44 HA ARG 44 -13.839 -6.054 4.691 349 HB2 ARG 44 1HB ARG 44 -12.885 -6.371 1.841 350 HB3 ARG 44 2HB ARG 44 -14.320 -7.153 2.492 351 HG2 ARG 44 1HG ARG 44 -14.042 -4.192 2.702 352 HG3 ARG 44 2HG ARG 44 -14.519 -4.921 1.168 353 HD2 ARG 44 1HD ARG 44 -15.902 -5.403 3.803 354 HD3 ARG 44 2HD ARG 44 -16.438 -4.244 2.588 355 HE ARG 44 HE ARG 44 -16.144 -6.864 1.505 356 HH11 ARG 44 2HH1 ARG 44 -18.255 -4.832 3.384 357 HH12 ARG 44 1HH1 ARG 44 -19.690 -5.701 2.954 358 HH21 ARG 44 2HH2 ARG 44 -18.027 -8.018 0.931 359 HH22 ARG 44 1HH2 ARG 44 -19.559 -7.514 1.559 360 H LEU 45 H LEU 45 -10.751 -7.087 3.346 361 HA LEU 45 HA LEU 45 -11.163 -9.865 3.885 362 HB2 LEU 45 1HB LEU 45 -9.653 -9.390 2.158 363 HB3 LEU 45 2HB LEU 45 -8.784 -8.203 3.129 364 HG LEU 45 HG LEU 45 -7.807 -9.979 4.468 365 HD11 LEU 45 1HD1 LEU 45 -8.694 -12.164 2.731 366 HD12 LEU 45 2HD1 LEU 45 -9.959 -11.474 3.747 367 HD13 LEU 45 3HD1 LEU 45 -8.489 -12.112 4.482 368 HD21 LEU 45 1HD2 LEU 45 -7.070 -11.231 2.029 369 HD22 LEU 45 2HD2 LEU 45 -6.183 -10.023 2.960 370 HD23 LEU 45 3HD2 LEU 45 -7.322 -9.514 1.712 371 H LEU 46 H LEU 46 -8.988 -7.442 5.348 372 HA LEU 46 HA LEU 46 -8.381 -9.127 7.579 373 HB2 LEU 46 1HB LEU 46 -7.876 -6.201 7.072 374 HB3 LEU 46 2HB LEU 46 -7.278 -7.078 8.479 375 HG LEU 46 HG LEU 46 -6.571 -7.903 5.676 376 HD11 LEU 46 1HD1 LEU 46 -5.799 -5.493 6.999 377 HD12 LEU 46 2HD1 LEU 46 -5.302 -6.105 5.421 378 HD13 LEU 46 3HD1 LEU 46 -4.400 -6.560 6.867 379 HD21 LEU 46 1HD2 LEU 46 -4.527 -8.714 7.003 380 HD22 LEU 46 2HD2 LEU 46 -6.037 -9.609 7.172 381 HD23 LEU 46 3HD2 LEU 46 -5.535 -8.479 8.431 382 H LYS 47 H LYS 47 -11.171 -7.716 6.840 383 HA LYS 47 HA LYS 47 -12.983 -6.917 7.976 384 HB2 LYS 47 1HB LYS 47 -12.024 -8.366 10.412 385 HB3 LYS 47 2HB LYS 47 -13.651 -8.247 9.756 386 HG2 LYS 47 1HG LYS 47 -11.394 -9.862 8.589 387 HG3 LYS 47 2HG LYS 47 -12.758 -10.495 9.513 388 HD2 LYS 47 1HD LYS 47 -13.281 -8.846 7.080 389 HD3 LYS 47 2HD LYS 47 -12.789 -10.531 6.891 390 HE2 LYS 47 1HE LYS 47 -14.651 -11.181 8.403 391 HE3 LYS 47 2HE LYS 47 -15.174 -9.498 8.421 392 HZ1 LYS 47 1HZ LYS 47 -16.469 -10.543 6.796 393 HZ2 LYS 47 2HZ LYS 47 -15.154 -11.379 6.138 394 HZ3 LYS 47 3HZ LYS 47 -15.288 -9.707 5.919 395 H VAL 48 H VAL 48 -10.418 -5.408 8.215 396 HA VAL 48 HA VAL 48 -10.875 -4.071 10.797 397 HB VAL 48 HB VAL 48 -8.457 -3.967 8.987 398 HG11 VAL 48 1HG1 VAL 48 -8.541 -2.869 11.766 399 HG12 VAL 48 2HG1 VAL 48 -7.457 -2.467 10.432 400 HG13 VAL 48 3HG1 VAL 48 -9.126 -1.897 10.416 401 HG21 VAL 48 1HG2 VAL 48 -7.936 -5.885 10.002 402 HG22 VAL 48 2HG2 VAL 48 -7.692 -4.924 11.461 403 HG23 VAL 48 3HG2 VAL 48 -9.243 -5.713 11.174 404 HA PRO 49 HA PRO 49 -12.602 -0.616 8.665 405 HB2 PRO 49 1HB PRO 49 -12.312 1.236 10.629 406 HB3 PRO 49 2HB PRO 49 -13.534 -0.039 10.684 407 HG2 PRO 49 1HG PRO 49 -10.863 0.084 12.031 408 HG3 PRO 49 2HG PRO 49 -12.421 -0.458 12.683 409 HD2 PRO 49 1HD PRO 49 -10.519 -2.185 11.827 410 HD3 PRO 49 2HD PRO 49 -12.255 -2.533 11.694 411 H VAL 50 H VAL 50 -11.858 0.944 7.336 412 HA VAL 50 HA VAL 50 -9.153 1.289 6.819 413 HB VAL 50 HB VAL 50 -11.514 3.035 6.146 414 HG11 VAL 50 1HG1 VAL 50 -8.678 3.333 5.163 415 HG12 VAL 50 2HG1 VAL 50 -10.076 4.247 4.595 416 HG13 VAL 50 3HG1 VAL 50 -9.511 4.439 6.255 417 HG21 VAL 50 1HG2 VAL 50 -10.905 0.623 5.175 418 HG22 VAL 50 2HG2 VAL 50 -11.646 1.887 4.192 419 HG23 VAL 50 3HG2 VAL 50 -9.906 1.612 4.109 420 H SER 51 H SER 51 -11.228 2.940 9.078 421 HA SER 51 HA SER 51 -9.665 5.236 9.525 422 HB2 SER 51 1HB SER 51 -12.028 4.912 10.298 423 HB3 SER 51 2HB SER 51 -11.421 3.822 11.544 424 HG SER 51 HG SER 51 -11.702 6.008 12.267 425 H GLU 52 H GLU 52 -9.643 2.039 11.046 426 HA GLU 52 HA GLU 52 -7.517 2.755 12.859 427 HB2 GLU 52 1HB GLU 52 -8.872 0.133 12.227 428 HB3 GLU 52 2HB GLU 52 -7.567 0.284 13.395 429 HG2 GLU 52 1HG GLU 52 -10.337 1.413 13.528 430 HG3 GLU 52 2HG GLU 52 -9.526 0.334 14.662 431 H LEU 53 H LEU 53 -7.825 1.285 9.725 432 HA LEU 53 HA LEU 53 -5.297 0.018 9.618 433 HB2 LEU 53 1HB LEU 53 -7.205 0.992 7.515 434 HB3 LEU 53 2HB LEU 53 -5.664 0.246 7.099 435 HG LEU 53 HG LEU 53 -7.795 -1.115 8.740 436 HD11 LEU 53 1HD1 LEU 53 -8.685 -2.074 6.857 437 HD12 LEU 53 2HD1 LEU 53 -7.228 -1.814 5.899 438 HD13 LEU 53 3HD1 LEU 53 -8.302 -0.461 6.255 439 HD21 LEU 53 1HD2 LEU 53 -5.349 -2.168 7.323 440 HD22 LEU 53 2HD2 LEU 53 -6.529 -3.133 8.210 441 HD23 LEU 53 3HD2 LEU 53 -5.525 -1.960 9.065 442 H LEU 54 H LEU 54 -3.334 0.705 8.837 443 HA LEU 54 HA LEU 54 -3.072 3.484 7.966 444 HB2 LEU 54 1HB LEU 54 -1.603 2.239 10.279 445 HB3 LEU 54 2HB LEU 54 -1.061 3.707 9.469 446 HG LEU 54 HG LEU 54 -3.808 3.560 10.653 447 HD11 LEU 54 1HD1 LEU 54 -2.584 2.924 12.532 448 HD12 LEU 54 2HD1 LEU 54 -2.704 4.677 12.678 449 HD13 LEU 54 3HD1 LEU 54 -1.209 3.940 12.099 450 HD21 LEU 54 1HD2 LEU 54 -2.548 5.451 9.165 451 HD22 LEU 54 2HD2 LEU 54 -2.171 5.992 10.801 452 HD23 LEU 54 3HD2 LEU 54 -3.851 5.778 10.307 453 H LEU 55 H LEU 55 -2.050 3.416 6.086 454 HA LEU 55 HA LEU 55 -0.273 1.195 5.464 455 HB2 LEU 55 1HB LEU 55 -1.776 3.219 3.930 456 HB3 LEU 55 2HB LEU 55 -0.237 2.710 3.238 457 HG LEU 55 HG LEU 55 -2.170 1.470 2.334 458 HD11 LEU 55 1HD1 LEU 55 -0.327 -0.267 3.966 459 HD12 LEU 55 2HD1 LEU 55 0.099 0.485 2.430 460 HD13 LEU 55 3HD1 LEU 55 -1.189 -0.718 2.495 461 HD21 LEU 55 1HD2 LEU 55 -2.471 -0.118 4.798 462 HD22 LEU 55 2HD2 LEU 55 -3.670 0.350 3.592 463 HD23 LEU 55 3HD2 LEU 55 -3.171 1.500 4.833 464 H SER 56 H SER 56 1.879 1.321 5.447 465 HA SER 56 HA SER 56 3.142 3.976 5.408 466 HB2 SER 56 1HB SER 56 4.856 2.883 7.044 467 HB3 SER 56 2HB SER 56 3.331 3.495 7.684 468 HG SER 56 HG SER 56 2.650 1.161 7.178 469 H TYR 57 H TYR 57 4.512 4.112 3.772 470 HA TYR 57 HA TYR 57 5.619 1.653 2.627 471 HB2 TYR 57 1HB TYR 57 5.743 2.733 0.594 472 HB3 TYR 57 2HB TYR 57 4.364 3.560 1.310 473 HD1 TYR 57 1HD TYR 57 4.862 5.771 2.563 474 HD2 TYR 57 2HD TYR 57 7.551 3.966 -0.197 475 HE1 TYR 57 1HE TYR 57 5.997 7.933 2.263 476 HE2 TYR 57 2HE TYR 57 8.694 6.123 -0.503 477 HH TYR 57 HH TYR 57 7.432 9.081 0.861 478 H GLU 58 H GLU 58 7.820 1.384 2.251 479 HA GLU 58 HA GLU 58 9.572 3.246 3.718 480 HB2 GLU 58 1HB GLU 58 9.173 0.759 4.519 481 HB3 GLU 58 2HB GLU 58 10.356 0.399 3.269 482 HG2 GLU 58 1HG GLU 58 11.848 2.115 4.377 483 HG3 GLU 58 2HG GLU 58 10.708 2.089 5.722 484 H SER 59 H SER 59 10.828 4.375 2.406 485 HA SER 59 HA SER 59 11.170 3.900 -0.320 486 HB2 SER 59 1HB SER 59 11.672 6.014 1.204 487 HB3 SER 59 2HB SER 59 13.307 5.356 1.175 488 HG SER 59 HG SER 59 12.068 6.764 -0.705 489 H SER 60 H SER 60 13.524 3.779 -1.270 490 HA SER 60 HA SER 60 14.665 1.282 -0.242 491 HB2 SER 60 1HB SER 60 15.766 1.155 -2.487 492 HB3 SER 60 2HB SER 60 14.005 1.176 -2.565 493 HG SER 60 HG SER 60 14.313 2.781 -3.886 494 H LYS 61 H LYS 61 15.354 4.633 -0.676 495 HA LYS 61 HA LYS 61 18.219 4.283 -0.304 496 HB2 LYS 61 1HB LYS 61 18.323 6.732 -0.524 497 HB3 LYS 61 2HB LYS 61 17.475 5.990 -1.873 498 HG2 LYS 61 1HG LYS 61 15.353 6.508 -0.436 499 HG3 LYS 61 2HG LYS 61 16.416 7.692 0.328 500 HD2 LYS 61 1HD LYS 61 15.611 8.995 -1.352 501 HD3 LYS 61 2HD LYS 61 16.955 8.252 -2.222 502 HE2 LYS 61 1HE LYS 61 14.345 6.835 -2.226 503 HE3 LYS 61 2HE LYS 61 14.484 8.299 -3.198 504 HZ1 LYS 61 1HZ LYS 61 16.317 7.350 -4.383 505 HZ2 LYS 61 2HZ LYS 61 15.033 6.249 -4.424 506 HZ3 LYS 61 3HZ LYS 61 16.338 5.987 -3.381 507 H MET 62 H MET 62 15.425 5.572 1.439 508 HA MET 62 HA MET 62 17.108 5.863 3.834 509 HB2 MET 62 1HB MET 62 15.274 7.280 4.713 510 HB3 MET 62 2HB MET 62 15.978 7.913 3.231 511 HG2 MET 62 1HG MET 62 13.602 6.164 2.977 512 HG3 MET 62 2HG MET 62 13.362 7.783 3.631 513 HE1 MET 62 1HE MET 62 14.029 9.975 2.407 514 HE2 MET 62 2HE MET 62 13.488 10.078 0.732 515 HE3 MET 62 3HE MET 62 12.399 9.459 1.974 516 HA PRO 63 HA PRO 63 14.497 2.072 4.530 517 HB2 PRO 63 1HB PRO 63 16.532 0.551 5.488 518 HB3 PRO 63 2HB PRO 63 16.156 0.677 3.765 519 HG2 PRO 63 1HG PRO 63 18.261 2.095 5.353 520 HG3 PRO 63 2HG PRO 63 18.379 1.356 3.745 521 HD2 PRO 63 1HD PRO 63 18.077 4.023 4.105 522 HD3 PRO 63 2HD PRO 63 17.403 3.165 2.704 523 H GLY 64 H GLY 64 13.657 1.422 6.481 524 HA2 GLY 64 1HA GLY 64 13.613 1.156 8.823 525 HA3 GLY 64 2HA GLY 64 15.005 2.220 8.948 526 H ARG 65 H ARG 65 13.521 4.100 7.042 527 HA ARG 65 HA ARG 65 11.934 5.397 9.146 528 HB2 ARG 65 1HB ARG 65 13.961 6.524 7.978 529 HB3 ARG 65 2HB ARG 65 12.856 6.750 6.629 530 HG2 ARG 65 1HG ARG 65 11.317 7.953 8.153 531 HG3 ARG 65 2HG ARG 65 12.531 7.813 9.426 532 HD2 ARG 65 1HD ARG 65 13.332 8.973 6.803 533 HD3 ARG 65 2HD ARG 65 12.375 9.961 7.907 534 HE ARG 65 HE ARG 65 14.692 8.726 9.102 535 HH11 ARG 65 2HH1 ARG 65 13.438 11.505 7.421 536 HH12 ARG 65 1HH1 ARG 65 14.679 12.571 7.990 537 HH21 ARG 65 2HH2 ARG 65 16.331 10.120 9.858 538 HH22 ARG 65 1HH2 ARG 65 16.324 11.783 9.376 539 H GLU 66 H GLU 66 10.056 4.120 8.735 540 HA GLU 66 HA GLU 66 8.810 4.180 6.143 541 HB2 GLU 66 1HB GLU 66 7.038 2.904 7.151 542 HB3 GLU 66 2HB GLU 66 8.574 2.270 7.724 543 HG2 GLU 66 1HG GLU 66 6.974 4.262 9.296 544 HG3 GLU 66 2HG GLU 66 6.720 2.522 9.430 545 H ILE 67 H ILE 67 7.170 5.452 5.442 546 HA ILE 67 HA ILE 67 6.502 7.759 7.116 547 HB ILE 67 HB ILE 67 6.069 7.303 4.162 548 HG12 ILE 67 1HG1 ILE 67 7.739 9.386 4.275 549 HG13 ILE 67 2HG1 ILE 67 8.199 8.608 5.785 550 HG21 ILE 67 1HG2 ILE 67 4.638 8.980 5.809 551 HG22 ILE 67 2HG2 ILE 67 5.885 10.035 5.145 552 HG23 ILE 67 3HG2 ILE 67 4.814 9.146 4.062 553 HD11 ILE 67 1HD1 ILE 67 8.439 6.482 4.364 554 HD12 ILE 67 2HD1 ILE 67 8.446 7.587 2.989 555 HD13 ILE 67 3HD1 ILE 67 9.679 7.729 4.242 556 H GLU 68 H GLU 68 4.810 7.299 8.401 557 HA GLU 68 HA GLU 68 2.696 5.547 7.712 558 HB2 GLU 68 1HB GLU 68 1.569 6.506 9.723 559 HB3 GLU 68 2HB GLU 68 3.198 5.920 10.028 560 HG2 GLU 68 1HG GLU 68 4.021 8.246 9.847 561 HG3 GLU 68 2HG GLU 68 2.352 8.786 9.677 562 H LEU 69 H LEU 69 1.301 5.939 6.126 563 HA LEU 69 HA LEU 69 0.651 8.599 5.269 564 HB2 LEU 69 1HB LEU 69 -0.802 6.104 4.454 565 HB3 LEU 69 2HB LEU 69 -0.580 7.594 3.540 566 HG LEU 69 HG LEU 69 1.739 5.812 4.221 567 HD11 LEU 69 1HD1 LEU 69 0.357 5.637 1.585 568 HD12 LEU 69 2HD1 LEU 69 -0.244 4.688 2.944 569 HD13 LEU 69 3HD1 LEU 69 1.415 4.473 2.384 570 HD21 LEU 69 1HD2 LEU 69 1.375 7.585 1.829 571 HD22 LEU 69 2HD2 LEU 69 2.868 6.967 2.537 572 HD23 LEU 69 3HD2 LEU 69 1.951 8.224 3.369 573 H GLU 70 H GLU 70 -0.672 9.840 6.419 574 HA GLU 70 HA GLU 70 -2.940 8.596 7.811 575 HB2 GLU 70 1HB GLU 70 -3.045 10.758 9.067 576 HB3 GLU 70 2HB GLU 70 -1.556 9.855 9.304 577 HG2 GLU 70 1HG GLU 70 -0.357 11.314 7.841 578 HG3 GLU 70 2HG GLU 70 -1.843 12.136 7.367 579 H ASN 71 H ASN 71 -2.102 10.670 5.210 580 HA ASN 71 HA ASN 71 -4.710 11.916 5.031 581 HB2 ASN 71 1HB ASN 71 -2.332 12.838 4.294 582 HB3 ASN 71 2HB ASN 71 -2.744 12.026 2.786 583 HD21 ASN 71 1HD2 ASN 71 -5.234 12.461 2.278 584 HD22 ASN 71 2HD2 ASN 71 -5.637 14.141 2.254 585 H ASP 72 H ASP 72 -6.228 10.366 4.628 586 HA ASP 72 HA ASP 72 -5.880 8.247 2.767 587 HB2 ASP 72 1HB ASP 72 -8.541 8.336 2.975 588 HB3 ASP 72 2HB ASP 72 -7.522 7.680 4.254 589 H LEU 73 H LEU 73 -6.858 11.546 2.480 590 HA LEU 73 HA LEU 73 -8.063 11.163 -0.135 591 HB2 LEU 73 1HB LEU 73 -7.548 13.629 1.516 592 HB3 LEU 73 2HB LEU 73 -8.317 13.645 -0.070 593 HG LEU 73 HG LEU 73 -9.407 12.280 2.392 594 HD11 LEU 73 1HD1 LEU 73 -9.442 15.002 1.643 595 HD12 LEU 73 2HD1 LEU 73 -10.315 14.218 2.959 596 HD13 LEU 73 3HD1 LEU 73 -11.062 14.360 1.368 597 HD21 LEU 73 1HD2 LEU 73 -11.476 12.503 0.681 598 HD22 LEU 73 2HD2 LEU 73 -10.458 11.068 0.808 599 HD23 LEU 73 3HD2 LEU 73 -10.152 12.258 -0.459 600 H GLN 74 H GLN 74 -5.323 10.407 0.106 601 HA GLN 74 HA GLN 74 -4.207 12.140 -1.959 602 HB2 GLN 74 1HB GLN 74 -2.875 11.515 0.668 603 HB3 GLN 74 2HB GLN 74 -1.951 11.974 -0.756 604 HG2 GLN 74 1HG GLN 74 -4.119 13.637 0.505 605 HG3 GLN 74 2HG GLN 74 -2.389 13.857 0.761 606 HE21 GLN 74 1HE2 GLN 74 -4.392 15.669 -0.374 607 HE22 GLN 74 2HE2 GLN 74 -3.811 16.090 -1.945 608 HA PRO 75 HA PRO 75 -3.244 8.207 -3.713 609 HB2 PRO 75 1HB PRO 75 -1.551 9.066 -5.653 610 HB3 PRO 75 2HB PRO 75 -3.303 9.278 -5.744 611 HG2 PRO 75 1HG PRO 75 -1.198 11.240 -4.918 612 HG3 PRO 75 2HG PRO 75 -2.615 11.490 -5.954 613 HD2 PRO 75 1HD PRO 75 -2.564 12.232 -3.351 614 HD3 PRO 75 2HD PRO 75 -4.048 11.689 -4.160 615 H LEU 76 H LEU 76 -1.349 6.847 -4.216 616 HA LEU 76 HA LEU 76 0.521 6.858 -2.097 617 HB2 LEU 76 1HB LEU 76 0.367 5.308 -4.669 618 HB3 LEU 76 2HB LEU 76 1.644 5.054 -3.481 619 HG LEU 76 HG LEU 76 -0.192 3.389 -3.364 620 HD11 LEU 76 1HD1 LEU 76 1.050 3.555 -1.404 621 HD12 LEU 76 2HD1 LEU 76 -0.613 3.759 -0.856 622 HD13 LEU 76 3HD1 LEU 76 0.435 5.166 -1.035 623 HD21 LEU 76 1HD2 LEU 76 -2.349 4.035 -2.476 624 HD22 LEU 76 2HD2 LEU 76 -2.027 4.917 -3.969 625 HD23 LEU 76 3HD2 LEU 76 -1.846 5.724 -2.411 626 H GLN 77 H GLN 77 0.677 7.926 -5.445 627 HA GLN 77 HA GLN 77 3.452 8.311 -5.619 628 HB2 GLN 77 1HB GLN 77 2.447 8.421 -7.684 629 HB3 GLN 77 2HB GLN 77 1.075 9.345 -7.087 630 HG2 GLN 77 1HG GLN 77 2.390 10.715 -8.553 631 HG3 GLN 77 2HG GLN 77 2.517 11.328 -6.906 632 HE21 GLN 77 1HE2 GLN 77 4.475 11.949 -6.386 633 HE22 GLN 77 2HE2 GLN 77 5.954 11.270 -6.965 634 H PHE 78 H PHE 78 0.890 10.296 -4.293 635 HA PHE 78 HA PHE 78 2.227 12.738 -4.106 636 HB2 PHE 78 1HB PHE 78 -0.047 12.864 -3.630 637 HB3 PHE 78 2HB PHE 78 -0.003 11.469 -2.557 638 HD1 PHE 78 2HD PHE 78 1.043 15.013 -2.847 639 HD2 PHE 78 1HD PHE 78 0.220 11.741 -0.252 640 HE1 PHE 78 2HE PHE 78 1.202 16.517 -0.906 641 HE2 PHE 78 1HE PHE 78 0.377 13.240 1.693 642 HZ PHE 78 HZ PHE 78 0.870 15.631 1.367 643 H TYR 79 H TYR 79 2.601 9.818 -2.297 644 HA TYR 79 HA TYR 79 4.176 11.163 -0.231 645 HB2 TYR 79 1HB TYR 79 3.118 8.352 -0.501 646 HB3 TYR 79 2HB TYR 79 4.264 8.812 0.754 647 HD1 TYR 79 2HD TYR 79 3.586 10.274 2.582 648 HD2 TYR 79 1HD TYR 79 0.817 9.111 -0.432 649 HE1 TYR 79 2HE TYR 79 1.729 11.037 4.003 650 HE2 TYR 79 1HE TYR 79 -1.048 9.872 0.980 651 HH TYR 79 HH TYR 79 -1.602 10.422 3.160 652 H SER 80 H SER 80 5.025 10.800 -3.076 653 HA SER 80 HA SER 80 6.901 10.284 -4.257 654 HB2 SER 80 1HB SER 80 8.026 10.314 -1.454 655 HB3 SER 80 2HB SER 80 9.034 10.118 -2.888 656 HG SER 80 HG SER 80 7.237 12.249 -2.857 657 H VAL 81 H VAL 81 5.145 8.133 -3.581 658 HA VAL 81 HA VAL 81 6.906 5.869 -3.035 659 HB VAL 81 HB VAL 81 3.914 5.961 -3.441 660 HG11 VAL 81 1HG1 VAL 81 4.127 3.774 -3.846 661 HG12 VAL 81 2HG1 VAL 81 5.811 3.753 -3.322 662 HG13 VAL 81 3HG1 VAL 81 4.514 3.621 -2.133 663 HG21 VAL 81 1HG2 VAL 81 3.677 6.307 -1.245 664 HG22 VAL 81 2HG2 VAL 81 4.945 5.151 -0.837 665 HG23 VAL 81 3HG2 VAL 81 5.368 6.808 -1.267 666 H GLU 82 H GLU 82 7.858 4.808 -4.633 667 HA GLU 82 HA GLU 82 6.488 4.624 -7.228 668 HB2 GLU 82 1HB GLU 82 8.638 4.903 -8.381 669 HB3 GLU 82 2HB GLU 82 8.223 6.325 -7.435 670 HG2 GLU 82 1HG GLU 82 9.701 5.329 -5.611 671 HG3 GLU 82 2HG GLU 82 10.297 4.240 -6.862 672 H ASN 83 H ASN 83 7.276 2.829 -8.579 673 HA ASN 83 HA ASN 83 7.128 0.385 -7.387 674 HB2 ASN 83 1HB ASN 83 8.332 -0.505 -9.430 675 HB3 ASN 83 2HB ASN 83 6.939 0.521 -9.760 676 HD21 ASN 83 1HD2 ASN 83 7.884 0.800 -11.860 677 HD22 ASN 83 2HD2 ASN 83 9.138 1.965 -12.091 678 H GLY 84 H GLY 84 8.431 -0.953 -6.276 679 HA2 GLY 84 1HA GLY 84 10.728 -1.845 -6.023 680 HA3 GLY 84 2HA GLY 84 11.272 -0.174 -6.029 681 H ASP 85 H ASP 85 9.499 1.028 -4.326 682 HA ASP 85 HA ASP 85 10.572 0.513 -1.820 683 HB2 ASP 85 1HB ASP 85 7.814 1.667 -2.155 684 HB3 ASP 85 2HB ASP 85 9.045 2.083 -0.966 685 H CYS 86 H CYS 86 8.841 0.169 0.115 686 HA CYS 86 HA CYS 86 7.452 -2.364 -0.458 687 HB2 CYS 86 1HB CYS 86 9.236 -1.653 1.865 688 HB3 CYS 86 2HB CYS 86 8.075 -2.972 1.953 689 HG CYS 86 HG CYS 86 9.866 -4.644 1.182 690 H LEU 87 H LEU 87 5.556 -2.780 0.707 691 HA LEU 87 HA LEU 87 4.362 -0.390 1.939 692 HB2 LEU 87 1HB LEU 87 3.093 -2.754 0.570 693 HB3 LEU 87 2HB LEU 87 2.185 -1.506 1.422 694 HG LEU 87 HG LEU 87 3.946 -0.985 -0.970 695 HD11 LEU 87 1HD1 LEU 87 0.961 -1.365 -0.806 696 HD12 LEU 87 2HD1 LEU 87 2.113 -2.407 -1.640 697 HD13 LEU 87 3HD1 LEU 87 1.832 -0.764 -2.216 698 HD21 LEU 87 1HD2 LEU 87 2.746 1.153 -1.031 699 HD22 LEU 87 2HD2 LEU 87 3.642 0.946 0.474 700 HD23 LEU 87 3HD2 LEU 87 1.894 0.711 0.449 701 H LEU 88 H LEU 88 3.674 -0.443 3.995 702 HA LEU 88 HA LEU 88 3.711 -3.043 5.383 703 HB2 LEU 88 1HB LEU 88 4.371 -0.352 6.567 704 HB3 LEU 88 2HB LEU 88 4.465 -1.913 7.380 705 HG LEU 88 HG LEU 88 6.148 -1.343 4.966 706 HD11 LEU 88 1HD1 LEU 88 6.424 -0.214 7.680 707 HD12 LEU 88 2HD1 LEU 88 7.004 0.393 6.130 708 HD13 LEU 88 3HD1 LEU 88 7.882 -0.894 6.956 709 HD21 LEU 88 1HD2 LEU 88 6.805 -3.422 5.383 710 HD22 LEU 88 2HD2 LEU 88 5.821 -3.486 6.846 711 HD23 LEU 88 3HD2 LEU 88 7.471 -2.863 6.918 712 H VAL 89 H VAL 89 1.650 -3.610 5.677 713 HA VAL 89 HA VAL 89 -0.398 -1.614 6.164 714 HB VAL 89 HB VAL 89 -0.660 -4.622 6.060 715 HG11 VAL 89 1HG1 VAL 89 -3.069 -3.615 5.340 716 HG12 VAL 89 2HG1 VAL 89 -2.652 -4.116 6.980 717 HG13 VAL 89 3HG1 VAL 89 -2.548 -2.416 6.523 718 HG21 VAL 89 1HG2 VAL 89 -1.283 -2.628 3.889 719 HG22 VAL 89 2HG2 VAL 89 0.207 -3.569 3.963 720 HG23 VAL 89 3HG2 VAL 89 -1.345 -4.387 3.782 721 H ARG 90 H ARG 90 -0.252 -0.788 8.185 722 HA ARG 90 HA ARG 90 -0.407 -2.706 10.417 723 HB2 ARG 90 1HB ARG 90 1.765 -1.616 10.448 724 HB3 ARG 90 2HB ARG 90 1.004 -0.034 10.352 725 HG2 ARG 90 1HG ARG 90 -0.027 -0.414 12.548 726 HG3 ARG 90 2HG ARG 90 0.788 -1.976 12.643 727 HD2 ARG 90 1HD ARG 90 2.424 0.453 12.113 728 HD3 ARG 90 2HD ARG 90 1.815 0.192 13.747 729 HE ARG 90 HE ARG 90 2.941 -2.191 13.076 730 HH11 ARG 90 2HH1 ARG 90 4.060 1.105 13.117 731 HH12 ARG 90 1HH1 ARG 90 5.706 0.679 13.447 732 HH21 ARG 90 2HH2 ARG 90 5.105 -2.765 13.510 733 HH22 ARG 90 1HH2 ARG 90 6.300 -1.522 13.669 734 H TRP 91 H TRP 91 -1.689 -2.088 12.212 735 HA TRP 91 HA TRP 91 -3.394 0.263 11.881 736 HB2 TRP 91 1HB TRP 91 -5.427 -1.086 12.354 737 HB3 TRP 91 2HB TRP 91 -4.671 -1.501 10.818 738 HD1 TRP 91 HD TRP 91 -5.192 -2.893 14.361 739 HE1 TRP 91 1HE TRP 91 -4.819 -5.439 14.296 740 HE3 TRP 91 3HE TRP 91 -3.527 -3.347 9.549 741 HZ2 TRP 91 2HZ TRP 91 -3.934 -7.383 12.450 742 HZ3 TRP 91 3HZ TRP 91 -2.938 -5.585 8.711 743 HH2 TRP 91 HH TRP 91 -3.137 -7.559 10.133 744 H SER 92 H SER 92 -4.780 0.607 13.859 745 HA SER 92 HA SER 92 -3.311 -0.258 16.264 746 HB2 SER 92 1HB SER 92 -2.954 2.113 15.862 747 HB3 SER 92 2HB SER 92 -4.692 2.383 15.728 748 HG SER 92 HG SER 92 -4.835 2.419 17.825 749 H GLY 93 H GLY 93 -4.606 -0.278 18.270 750 HA2 GLY 93 1HA GLY 93 -6.427 -0.962 19.491 751 HA3 GLY 93 2HA GLY 93 -7.427 -0.216 18.253 752 HA PRO 94 HA PRO 94 -6.665 -4.780 16.823 753 HB2 PRO 94 1HB PRO 94 -5.519 -6.436 18.644 754 HB3 PRO 94 2HB PRO 94 -4.583 -5.506 17.468 755 HG2 PRO 94 1HG PRO 94 -5.125 -4.914 20.352 756 HG3 PRO 94 2HG PRO 94 -3.610 -4.759 19.444 757 HD2 PRO 94 1HD PRO 94 -5.202 -2.639 19.997 758 HD3 PRO 94 2HD PRO 94 -4.227 -2.740 18.517 759 H SER 95 H SER 95 -8.911 -4.823 17.045 760 HA SER 95 HA SER 95 -9.936 -6.721 18.899 761 HB2 SER 95 1HB SER 95 -11.579 -5.143 19.988 762 HB3 SER 95 2HB SER 95 -9.903 -4.931 20.495 763 HG SER 95 HG SER 95 -10.801 -3.426 18.325 764 H SER 96 H SER 96 -11.487 -7.763 17.851 765 HA SER 96 HA SER 96 -13.188 -6.269 15.973 766 HB2 SER 96 1HB SER 96 -13.039 -8.025 14.331 767 HB3 SER 96 2HB SER 96 -11.395 -7.557 14.769 768 HG SER 96 HG SER 96 -12.164 -9.937 14.727 769 H GLY 97 H GLY 97 -15.241 -6.439 16.557 770 HA2 GLY 97 1HA GLY 97 -17.241 -7.579 16.997 771 HA3 GLY 97 2HA GLY 97 -16.311 -9.022 17.371 Start of MODEL 15 1 H1 GLY 1 H GLY 1 5.626 6.499 -25.190 2 HA2 GLY 1 1HA GLY 1 6.453 8.084 -26.630 3 HA3 GLY 1 2HA GLY 1 5.081 7.720 -27.666 4 H SER 2 H SER 2 3.558 9.230 -27.919 5 HA SER 2 HA SER 2 3.891 11.758 -26.562 6 HB2 SER 2 1HB SER 2 2.240 10.774 -28.858 7 HB3 SER 2 2HB SER 2 1.784 12.277 -28.057 8 HG SER 2 HG SER 2 4.464 11.961 -28.741 9 H SER 3 H SER 3 3.321 11.223 -24.419 10 HA SER 3 HA SER 3 0.458 11.315 -23.939 11 HB2 SER 3 1HB SER 3 2.200 9.084 -22.868 12 HB3 SER 3 2HB SER 3 0.569 9.434 -22.297 13 HG SER 3 HG SER 3 1.296 7.981 -24.395 14 H GLY 4 H GLY 4 -0.092 12.253 -21.987 15 HA2 GLY 4 1HA GLY 4 2.105 13.632 -20.641 16 HA3 GLY 4 2HA GLY 4 0.395 14.010 -20.494 17 H SER 5 H SER 5 -0.813 13.058 -18.906 18 HA SER 5 HA SER 5 0.617 11.211 -17.109 19 HB2 SER 5 1HB SER 5 0.461 13.437 -16.090 20 HB3 SER 5 2HB SER 5 -1.286 13.433 -16.325 21 HG SER 5 HG SER 5 -0.100 11.324 -14.913 22 H SER 6 H SER 6 -0.302 9.280 -17.295 23 HA SER 6 HA SER 6 -3.242 9.139 -17.446 24 HB2 SER 6 1HB SER 6 -1.111 7.565 -18.835 25 HB3 SER 6 2HB SER 6 -2.642 6.775 -18.457 26 HG SER 6 HG SER 6 -3.675 8.073 -19.824 27 H GLY 7 H GLY 7 -0.388 7.256 -16.423 28 HA2 GLY 7 1HA GLY 7 -0.491 6.794 -13.912 29 HA3 GLY 7 2HA GLY 7 -2.050 6.077 -14.291 30 H GLN 8 H GLN 8 0.237 4.794 -13.079 31 HA GLN 8 HA GLN 8 0.405 2.520 -14.870 32 HB2 GLN 8 1HB GLN 8 2.842 2.370 -14.773 33 HB3 GLN 8 2HB GLN 8 2.338 3.870 -15.541 34 HG2 GLN 8 1HG GLN 8 2.929 3.849 -12.621 35 HG3 GLN 8 2HG GLN 8 4.258 3.856 -13.780 36 HE21 GLN 8 1HE2 GLN 8 3.001 5.851 -11.819 37 HE22 GLN 8 2HE2 GLN 8 2.866 7.298 -12.754 38 H LEU 9 H LEU 9 0.775 0.583 -13.818 39 HA LEU 9 HA LEU 9 0.111 0.494 -11.065 40 HB2 LEU 9 1HB LEU 9 0.840 -1.480 -13.156 41 HB3 LEU 9 2HB LEU 9 0.981 -1.985 -11.473 42 HG LEU 9 HG LEU 9 -1.133 -2.722 -12.169 43 HD11 LEU 9 1HD1 LEU 9 -2.603 -1.642 -10.702 44 HD12 LEU 9 2HD1 LEU 9 -1.805 -0.083 -10.908 45 HD13 LEU 9 3HD1 LEU 9 -1.003 -1.372 -10.010 46 HD21 LEU 9 1HD2 LEU 9 -1.945 -0.015 -13.150 47 HD22 LEU 9 2HD2 LEU 9 -2.626 -1.595 -13.535 48 HD23 LEU 9 3HD2 LEU 9 -1.064 -1.121 -14.204 49 H LEU 10 H LEU 10 1.343 0.082 -9.271 50 HA LEU 10 HA LEU 10 4.257 0.270 -9.650 51 HB2 LEU 10 1HB LEU 10 2.882 0.890 -7.069 52 HB3 LEU 10 2HB LEU 10 4.436 1.464 -7.669 53 HG LEU 10 HG LEU 10 1.710 2.361 -8.600 54 HD11 LEU 10 1HD1 LEU 10 3.252 4.507 -7.703 55 HD12 LEU 10 2HD1 LEU 10 3.472 3.236 -6.501 56 HD13 LEU 10 3HD1 LEU 10 1.849 3.791 -6.910 57 HD21 LEU 10 1HD2 LEU 10 2.867 2.670 -10.527 58 HD22 LEU 10 2HD2 LEU 10 4.431 2.718 -9.713 59 HD23 LEU 10 3HD2 LEU 10 3.379 4.133 -9.686 60 H THR 11 H THR 11 5.242 -1.615 -9.393 61 HA THR 11 HA THR 11 4.064 -3.826 -8.039 62 HB THR 11 HB THR 11 6.978 -3.593 -8.781 63 HG1 THR 11 1HG THR 11 6.245 -3.333 -10.755 64 HG21 THR 11 1HG2 THR 11 7.084 -5.824 -8.487 65 HG22 THR 11 2HG2 THR 11 5.494 -6.093 -9.202 66 HG23 THR 11 3HG2 THR 11 5.630 -5.596 -7.516 67 H LEU 12 H LEU 12 3.721 -3.468 -5.891 68 HA LEU 12 HA LEU 12 6.103 -2.903 -4.251 69 HB2 LEU 12 1HB LEU 12 3.251 -2.328 -3.483 70 HB3 LEU 12 2HB LEU 12 4.713 -1.830 -2.634 71 HG LEU 12 HG LEU 12 4.058 -0.853 -5.402 72 HD11 LEU 12 1HD1 LEU 12 2.473 -0.361 -3.203 73 HD12 LEU 12 2HD1 LEU 12 2.581 0.636 -4.654 74 HD13 LEU 12 3HD1 LEU 12 3.563 1.026 -3.242 75 HD21 LEU 12 1HD2 LEU 12 5.773 0.621 -5.124 76 HD22 LEU 12 2HD2 LEU 12 6.378 -0.706 -4.132 77 HD23 LEU 12 3HD2 LEU 12 5.591 0.678 -3.371 78 H LYS 13 H LYS 13 5.556 -3.646 -1.850 79 HA LYS 13 HA LYS 13 4.427 -6.363 -1.984 80 HB2 LYS 13 1HB LYS 13 6.978 -5.467 -0.638 81 HB3 LYS 13 2HB LYS 13 6.208 -7.016 -0.317 82 HG2 LYS 13 1HG LYS 13 6.642 -7.810 -2.472 83 HG3 LYS 13 2HG LYS 13 6.974 -6.193 -3.096 84 HD2 LYS 13 1HD LYS 13 8.676 -7.386 -0.935 85 HD3 LYS 13 2HD LYS 13 8.958 -7.785 -2.632 86 HE2 LYS 13 1HE LYS 13 9.215 -5.404 -3.143 87 HE3 LYS 13 2HE LYS 13 8.936 -5.010 -1.447 88 HZ1 LYS 13 1HZ LYS 13 10.933 -6.128 -0.836 89 HZ2 LYS 13 2HZ LYS 13 11.310 -5.064 -2.096 90 HZ3 LYS 13 3HZ LYS 13 11.163 -6.721 -2.403 91 H ILE 14 H ILE 14 2.922 -6.778 -0.503 92 HA ILE 14 HA ILE 14 2.487 -4.819 1.625 93 HB ILE 14 HB ILE 14 0.729 -7.001 0.511 94 HG12 ILE 14 1HG1 ILE 14 -0.708 -4.759 0.284 95 HG13 ILE 14 2HG1 ILE 14 0.898 -4.039 0.257 96 HG21 ILE 14 1HG2 ILE 14 0.249 -6.993 2.824 97 HG22 ILE 14 2HG2 ILE 14 0.323 -5.234 2.909 98 HG23 ILE 14 3HG2 ILE 14 -1.010 -6.020 2.064 99 HD11 ILE 14 1HD1 ILE 14 1.417 -5.745 -1.578 100 HD12 ILE 14 2HD1 ILE 14 -0.331 -5.959 -1.678 101 HD13 ILE 14 3HD1 ILE 14 0.382 -4.375 -1.981 102 H LYS 15 H LYS 15 2.667 -5.272 3.749 103 HA LYS 15 HA LYS 15 2.729 -7.964 4.751 104 HB2 LYS 15 1HB LYS 15 5.006 -7.864 3.958 105 HB3 LYS 15 2HB LYS 15 5.255 -6.305 4.732 106 HG2 LYS 15 1HG LYS 15 4.686 -7.601 6.915 107 HG3 LYS 15 2HG LYS 15 5.101 -9.022 5.953 108 HD2 LYS 15 1HD LYS 15 7.103 -8.405 7.015 109 HD3 LYS 15 2HD LYS 15 7.257 -7.789 5.368 110 HE2 LYS 15 1HE LYS 15 6.493 -5.573 6.183 111 HE3 LYS 15 2HE LYS 15 6.493 -6.215 7.825 112 HZ1 LYS 15 1HZ LYS 15 8.939 -6.451 6.226 113 HZ2 LYS 15 2HZ LYS 15 8.759 -6.282 7.899 114 HZ3 LYS 15 3HZ LYS 15 8.553 -4.943 6.887 115 H CYS 16 H CYS 16 1.962 -7.986 6.770 116 HA CYS 16 HA CYS 16 1.319 -5.503 8.061 117 HB2 CYS 16 1HB CYS 16 0.038 -7.824 8.026 118 HB3 CYS 16 2HB CYS 16 1.016 -8.124 9.457 119 HG CYS 16 HG CYS 16 -0.400 -6.749 11.107 120 H SER 17 H SER 17 2.670 -4.406 9.304 121 HA SER 17 HA SER 17 5.171 -5.322 10.152 122 HB2 SER 17 1HB SER 17 5.455 -3.237 11.117 123 HB3 SER 17 2HB SER 17 4.165 -2.892 9.964 124 HG SER 17 HG SER 17 3.451 -2.069 11.854 125 H ASN 18 H ASN 18 2.041 -5.697 11.544 126 HA ASN 18 HA ASN 18 3.070 -6.393 14.170 127 HB2 ASN 18 1HB ASN 18 0.939 -5.150 13.951 128 HB3 ASN 18 2HB ASN 18 0.241 -6.527 13.103 129 HD21 ASN 18 1HD2 ASN 18 -1.333 -6.315 14.878 130 HD22 ASN 18 2HD2 ASN 18 -1.008 -7.148 16.357 131 H GLN 19 H GLN 19 2.342 -7.936 11.215 132 HA GLN 19 HA GLN 19 2.397 -10.568 12.537 133 HB2 GLN 19 1HB GLN 19 1.319 -10.071 9.772 134 HB3 GLN 19 2HB GLN 19 1.063 -11.469 10.807 135 HG2 GLN 19 1HG GLN 19 -0.033 -9.642 12.376 136 HG3 GLN 19 2HG GLN 19 -0.255 -8.817 10.835 137 HE21 GLN 19 1HE2 GLN 19 -1.994 -9.310 9.701 138 HE22 GLN 19 2HE2 GLN 19 -2.984 -10.709 9.922 139 HA PRO 20 HA PRO 20 6.389 -10.365 10.336 140 HB2 PRO 20 1HB PRO 20 7.633 -12.100 12.013 141 HB3 PRO 20 2HB PRO 20 7.458 -10.377 12.370 142 HG2 PRO 20 1HG PRO 20 5.834 -12.690 13.357 143 HG3 PRO 20 2HG PRO 20 6.442 -11.286 14.253 144 HD2 PRO 20 1HD PRO 20 3.883 -11.465 13.387 145 HD3 PRO 20 2HD PRO 20 4.744 -9.917 13.509 146 H GLU 21 H GLU 21 4.896 -13.310 11.683 147 HA GLU 21 HA GLU 21 6.123 -15.167 10.016 148 HB2 GLU 21 1HB GLU 21 3.484 -15.148 11.451 149 HB3 GLU 21 2HB GLU 21 3.945 -16.505 10.434 150 HG2 GLU 21 1HG GLU 21 6.045 -16.679 11.805 151 HG3 GLU 21 2HG GLU 21 5.325 -15.507 12.907 152 H ARG 22 H ARG 22 3.024 -13.478 9.578 153 HA ARG 22 HA ARG 22 2.071 -14.582 7.294 154 HB2 ARG 22 1HB ARG 22 2.072 -11.770 8.306 155 HB3 ARG 22 2HB ARG 22 1.444 -12.090 6.694 156 HG2 ARG 22 1HG ARG 22 0.074 -13.947 7.961 157 HG3 ARG 22 2HG ARG 22 0.371 -12.892 9.344 158 HD2 ARG 22 1HD ARG 22 -1.611 -12.038 8.553 159 HD3 ARG 22 2HD ARG 22 -0.442 -11.019 7.713 160 HE ARG 22 HE ARG 22 -1.092 -11.960 5.725 161 HH11 ARG 22 2HH1 ARG 22 -2.327 -13.863 8.365 162 HH12 ARG 22 1HH1 ARG 22 -3.331 -14.850 7.356 163 HH21 ARG 22 2HH2 ARG 22 -2.409 -13.253 4.385 164 HH22 ARG 22 1HH2 ARG 22 -3.376 -14.503 5.092 165 H GLN 23 H GLN 23 3.185 -15.184 5.553 166 HA GLN 23 HA GLN 23 5.587 -14.106 4.657 167 HB2 GLN 23 1HB GLN 23 4.836 -16.306 3.962 168 HB3 GLN 23 2HB GLN 23 3.466 -15.604 3.112 169 HG2 GLN 23 1HG GLN 23 4.731 -14.902 1.356 170 HG3 GLN 23 2HG GLN 23 6.185 -14.713 2.335 171 HE21 GLN 23 1HE2 GLN 23 5.692 -16.097 -0.238 172 HE22 GLN 23 2HE2 GLN 23 6.257 -17.711 0.000 173 H ILE 24 H ILE 24 6.151 -12.562 3.185 174 HA ILE 24 HA ILE 24 4.349 -10.412 2.769 175 HB ILE 24 HB ILE 24 6.996 -10.904 1.400 176 HG12 ILE 24 1HG1 ILE 24 6.464 -9.240 3.865 177 HG13 ILE 24 2HG1 ILE 24 7.034 -10.904 3.932 178 HG21 ILE 24 1HG2 ILE 24 6.973 -8.377 1.270 179 HG22 ILE 24 2HG2 ILE 24 5.838 -9.221 0.217 180 HG23 ILE 24 3HG2 ILE 24 5.265 -8.464 1.702 181 HD11 ILE 24 1HD1 ILE 24 8.599 -8.654 3.840 182 HD12 ILE 24 2HD1 ILE 24 9.127 -10.302 3.497 183 HD13 ILE 24 3HD1 ILE 24 8.639 -9.239 2.177 184 H LEU 25 H LEU 25 3.343 -9.685 0.911 185 HA LEU 25 HA LEU 25 3.186 -11.641 -1.288 186 HB2 LEU 25 1HB LEU 25 1.018 -9.660 -0.860 187 HB3 LEU 25 2HB LEU 25 0.938 -11.305 -1.488 188 HG LEU 25 HG LEU 25 1.513 -10.826 1.411 189 HD11 LEU 25 1HD1 LEU 25 -0.918 -10.116 0.022 190 HD12 LEU 25 2HD1 LEU 25 -0.462 -9.853 1.705 191 HD13 LEU 25 3HD1 LEU 25 -1.201 -11.379 1.221 192 HD21 LEU 25 1HD2 LEU 25 1.788 -13.064 0.904 193 HD22 LEU 25 2HD2 LEU 25 0.496 -13.060 -0.297 194 HD23 LEU 25 3HD2 LEU 25 0.102 -13.008 1.422 195 H GLU 26 H GLU 26 2.337 -10.541 -3.370 196 HA GLU 26 HA GLU 26 3.622 -7.916 -3.707 197 HB2 GLU 26 1HB GLU 26 4.934 -9.975 -4.588 198 HB3 GLU 26 2HB GLU 26 3.724 -10.003 -5.863 199 HG2 GLU 26 1HG GLU 26 4.327 -7.575 -6.284 200 HG3 GLU 26 2HG GLU 26 5.722 -7.854 -5.243 201 H LYS 27 H LYS 27 2.224 -6.465 -4.422 202 HA LYS 27 HA LYS 27 0.125 -7.310 -6.297 203 HB2 LYS 27 1HB LYS 27 -0.184 -5.949 -3.671 204 HB3 LYS 27 2HB LYS 27 -1.214 -5.402 -4.986 205 HG2 LYS 27 1HG LYS 27 -0.995 -8.277 -4.133 206 HG3 LYS 27 2HG LYS 27 -2.209 -7.157 -3.512 207 HD2 LYS 27 1HD LYS 27 -1.905 -7.434 -6.461 208 HD3 LYS 27 2HD LYS 27 -2.713 -8.727 -5.572 209 HE2 LYS 27 1HE LYS 27 -3.484 -5.843 -5.241 210 HE3 LYS 27 2HE LYS 27 -4.166 -6.847 -6.520 211 HZ1 LYS 27 1HZ LYS 27 -4.236 -7.784 -3.731 212 HZ2 LYS 27 2HZ LYS 27 -5.267 -8.170 -5.015 213 HZ3 LYS 27 3HZ LYS 27 -5.381 -6.658 -4.265 214 H GLN 28 H GLN 28 -0.658 -5.651 -7.692 215 HA GLN 28 HA GLN 28 1.186 -3.366 -7.933 216 HB2 GLN 28 1HB GLN 28 0.050 -5.230 -9.946 217 HB3 GLN 28 2HB GLN 28 0.208 -3.545 -10.422 218 HG2 GLN 28 1HG GLN 28 2.641 -3.884 -9.430 219 HG3 GLN 28 2HG GLN 28 2.299 -5.562 -9.848 220 HE21 GLN 28 1HE2 GLN 28 1.855 -6.081 -12.034 221 HE22 GLN 28 2HE2 GLN 28 2.420 -5.071 -13.316 222 H LEU 29 H LEU 29 0.308 -1.433 -7.646 223 HA LEU 29 HA LEU 29 -2.513 -1.026 -8.346 224 HB2 LEU 29 1HB LEU 29 -1.207 -0.060 -5.806 225 HB3 LEU 29 2HB LEU 29 -2.858 0.287 -6.318 226 HG LEU 29 HG LEU 29 -2.858 -1.396 -4.584 227 HD11 LEU 29 1HD1 LEU 29 -4.623 -1.652 -6.129 228 HD12 LEU 29 2HD1 LEU 29 -3.966 -3.268 -5.869 229 HD13 LEU 29 3HD1 LEU 29 -3.562 -2.378 -7.337 230 HD21 LEU 29 1HD2 LEU 29 -1.401 -3.080 -4.444 231 HD22 LEU 29 2HD2 LEU 29 -0.497 -2.251 -5.711 232 HD23 LEU 29 3HD2 LEU 29 -1.632 -3.534 -6.132 233 HA PRO 30 HA PRO 30 -0.969 2.554 -10.395 234 HB2 PRO 30 1HB PRO 30 -3.286 3.954 -10.592 235 HB3 PRO 30 2HB PRO 30 -2.935 2.533 -11.583 236 HG2 PRO 30 1HG PRO 30 -4.591 2.746 -9.099 237 HG3 PRO 30 2HG PRO 30 -4.927 1.854 -10.595 238 HD2 PRO 30 1HD PRO 30 -3.976 0.651 -8.363 239 HD3 PRO 30 2HD PRO 30 -3.567 0.092 -9.998 240 H ASP 31 H ASP 31 0.177 4.156 -9.532 241 HA ASP 31 HA ASP 31 0.114 5.076 -6.967 242 HB2 ASP 31 1HB ASP 31 1.431 6.947 -7.680 243 HB3 ASP 31 2HB ASP 31 1.866 5.578 -8.699 244 H SER 32 H SER 32 -2.043 5.900 -9.541 245 HA SER 32 HA SER 32 -3.031 8.349 -8.578 246 HB2 SER 32 1HB SER 32 -3.429 7.275 -10.866 247 HB3 SER 32 2HB SER 32 -4.686 6.320 -10.079 248 HG SER 32 HG SER 32 -4.591 9.069 -10.599 249 H MET 33 H MET 33 -3.950 5.009 -7.904 250 HA MET 33 HA MET 33 -6.304 5.349 -6.532 251 HB2 MET 33 1HB MET 33 -4.822 3.216 -7.047 252 HB3 MET 33 2HB MET 33 -4.289 3.467 -5.391 253 HG2 MET 33 1HG MET 33 -6.308 2.915 -4.505 254 HG3 MET 33 2HG MET 33 -7.205 3.474 -5.915 255 HE1 MET 33 1HE MET 33 -5.753 0.939 -3.924 256 HE2 MET 33 2HE MET 33 -6.216 -0.591 -4.669 257 HE3 MET 33 3HE MET 33 -4.659 0.143 -5.056 258 H THR 34 H THR 34 -6.912 6.217 -4.646 259 HA THR 34 HA THR 34 -5.013 7.719 -3.110 260 HB THR 34 HB THR 34 -7.011 8.226 -1.649 261 HG1 THR 34 1HG THR 34 -8.334 6.479 -2.010 262 HG21 THR 34 1HG2 THR 34 -8.014 8.898 -4.307 263 HG22 THR 34 2HG2 THR 34 -6.293 9.228 -4.109 264 HG23 THR 34 3HG2 THR 34 -7.463 9.953 -3.006 265 H VAL 35 H VAL 35 -4.308 7.370 -1.030 266 HA VAL 35 HA VAL 35 -3.661 4.894 -0.145 267 HB VAL 35 HB VAL 35 -4.287 7.342 1.498 268 HG11 VAL 35 1HG1 VAL 35 -3.214 6.285 3.385 269 HG12 VAL 35 2HG1 VAL 35 -4.576 5.296 2.857 270 HG13 VAL 35 3HG1 VAL 35 -2.928 4.822 2.445 271 HG21 VAL 35 1HG2 VAL 35 -1.657 7.015 1.723 272 HG22 VAL 35 2HG2 VAL 35 -1.887 6.210 0.171 273 HG23 VAL 35 3HG2 VAL 35 -2.383 7.890 0.375 274 H GLN 36 H GLN 36 -6.675 6.614 0.530 275 HA GLN 36 HA GLN 36 -7.774 4.877 2.403 276 HB2 GLN 36 1HB GLN 36 -8.613 7.170 1.389 277 HB3 GLN 36 2HB GLN 36 -9.542 6.110 0.337 278 HG2 GLN 36 1HG GLN 36 -10.413 4.999 2.424 279 HG3 GLN 36 2HG GLN 36 -9.673 6.318 3.329 280 HE21 GLN 36 1HE2 GLN 36 -12.514 5.308 2.349 281 HE22 GLN 36 2HE2 GLN 36 -13.313 6.801 2.008 282 H LYS 37 H LYS 37 -8.006 4.800 -1.139 283 HA LYS 37 HA LYS 37 -9.727 2.655 -1.438 284 HB2 LYS 37 1HB LYS 37 -7.480 3.728 -3.104 285 HB3 LYS 37 2HB LYS 37 -8.288 2.243 -3.587 286 HG2 LYS 37 1HG LYS 37 -9.974 4.599 -2.943 287 HG3 LYS 37 2HG LYS 37 -9.070 4.607 -4.458 288 HD2 LYS 37 1HD LYS 37 -10.090 2.165 -4.642 289 HD3 LYS 37 2HD LYS 37 -11.319 2.869 -3.589 290 HE2 LYS 37 1HE LYS 37 -11.347 4.798 -5.310 291 HE3 LYS 37 2HE LYS 37 -10.546 3.646 -6.377 292 HZ1 LYS 37 1HZ LYS 37 -13.284 3.646 -5.361 293 HZ2 LYS 37 2HZ LYS 37 -12.536 2.143 -5.564 294 HZ3 LYS 37 3HZ LYS 37 -12.694 3.192 -6.881 295 H VAL 38 H VAL 38 -6.163 2.548 -1.354 296 HA VAL 38 HA VAL 38 -5.850 -0.205 -1.508 297 HB VAL 38 HB VAL 38 -4.114 1.703 0.065 298 HG11 VAL 38 1HG1 VAL 38 -2.396 0.108 -0.075 299 HG12 VAL 38 2HG1 VAL 38 -3.829 -0.811 0.390 300 HG13 VAL 38 3HG1 VAL 38 -3.263 -0.845 -1.280 301 HG21 VAL 38 1HG2 VAL 38 -3.165 2.433 -1.845 302 HG22 VAL 38 2HG2 VAL 38 -3.322 0.870 -2.647 303 HG23 VAL 38 3HG2 VAL 38 -4.706 1.959 -2.559 304 H LYS 39 H LYS 39 -6.489 1.839 1.291 305 HA LYS 39 HA LYS 39 -6.124 -0.162 3.259 306 HB2 LYS 39 1HB LYS 39 -7.735 2.395 3.296 307 HB3 LYS 39 2HB LYS 39 -7.467 1.384 4.710 308 HG2 LYS 39 1HG LYS 39 -5.070 1.753 4.541 309 HG3 LYS 39 2HG LYS 39 -5.313 2.732 3.093 310 HD2 LYS 39 1HD LYS 39 -6.406 4.435 4.304 311 HD3 LYS 39 2HD LYS 39 -6.624 3.398 5.716 312 HE2 LYS 39 1HE LYS 39 -3.992 3.326 5.646 313 HE3 LYS 39 2HE LYS 39 -4.195 4.838 4.763 314 HZ1 LYS 39 1HZ LYS 39 -4.019 4.765 7.377 315 HZ2 LYS 39 2HZ LYS 39 -5.687 4.517 7.254 316 HZ3 LYS 39 3HZ LYS 39 -4.988 5.904 6.585 317 H GLY 40 H GLY 40 -8.928 0.913 1.401 318 HA2 GLY 40 1HA GLY 40 -10.832 -0.661 2.818 319 HA3 GLY 40 2HA GLY 40 -11.063 0.070 1.237 320 H LEU 41 H LEU 41 -8.988 -1.192 -0.161 321 HA LEU 41 HA LEU 41 -10.189 -3.496 -1.077 322 HB2 LEU 41 1HB LEU 41 -8.542 -2.489 -2.422 323 HB3 LEU 41 2HB LEU 41 -7.330 -2.581 -1.146 324 HG LEU 41 HG LEU 41 -7.719 -5.189 -1.497 325 HD11 LEU 41 1HD1 LEU 41 -7.766 -5.243 -4.178 326 HD12 LEU 41 2HD1 LEU 41 -8.863 -3.893 -3.888 327 HD13 LEU 41 3HD1 LEU 41 -9.200 -5.470 -3.176 328 HD21 LEU 41 1HD2 LEU 41 -5.932 -4.791 -3.474 329 HD22 LEU 41 2HD2 LEU 41 -5.546 -4.652 -1.759 330 HD23 LEU 41 3HD2 LEU 41 -5.905 -3.205 -2.702 331 H LEU 42 H LEU 42 -7.679 -3.168 1.399 332 HA LEU 42 HA LEU 42 -7.606 -6.025 1.863 333 HB2 LEU 42 1HB LEU 42 -6.308 -3.819 3.452 334 HB3 LEU 42 2HB LEU 42 -5.921 -5.538 3.511 335 HG LEU 42 HG LEU 42 -5.556 -3.917 1.007 336 HD11 LEU 42 1HD1 LEU 42 -3.371 -3.352 1.603 337 HD12 LEU 42 2HD1 LEU 42 -3.362 -4.457 2.978 338 HD13 LEU 42 3HD1 LEU 42 -4.321 -2.978 3.042 339 HD21 LEU 42 1HD2 LEU 42 -4.745 -6.608 1.999 340 HD22 LEU 42 2HD2 LEU 42 -3.702 -5.764 0.853 341 HD23 LEU 42 3HD2 LEU 42 -5.374 -6.129 0.422 342 H SER 43 H SER 43 -8.889 -3.138 3.416 343 HA SER 43 HA SER 43 -9.553 -3.808 5.902 344 HB2 SER 43 1HB SER 43 -10.434 -1.766 5.178 345 HB3 SER 43 2HB SER 43 -11.241 -2.496 3.790 346 HG SER 43 HG SER 43 -12.026 -2.412 6.474 347 H ARG 44 H ARG 44 -10.944 -5.264 3.032 348 HA ARG 44 HA ARG 44 -12.894 -6.790 4.512 349 HB2 ARG 44 1HB ARG 44 -12.011 -6.878 1.624 350 HB3 ARG 44 2HB ARG 44 -13.281 -7.897 2.289 351 HG2 ARG 44 1HG ARG 44 -13.483 -4.950 2.640 352 HG3 ARG 44 2HG ARG 44 -13.845 -5.653 1.062 353 HD2 ARG 44 1HD ARG 44 -15.651 -6.861 1.873 354 HD3 ARG 44 2HD ARG 44 -15.073 -6.797 3.538 355 HE ARG 44 HE ARG 44 -15.579 -4.221 3.051 356 HH11 ARG 44 2HH1 ARG 44 -17.459 -7.085 2.433 357 HH12 ARG 44 1HH1 ARG 44 -18.983 -6.279 2.601 358 HH21 ARG 44 2HH2 ARG 44 -17.579 -3.149 3.276 359 HH22 ARG 44 1HH2 ARG 44 -19.050 -4.040 3.080 360 H LEU 45 H LEU 45 -9.919 -7.529 2.702 361 HA LEU 45 HA LEU 45 -9.849 -10.272 3.190 362 HB2 LEU 45 1HB LEU 45 -8.352 -9.558 1.587 363 HB3 LEU 45 2HB LEU 45 -7.785 -8.209 2.570 364 HG LEU 45 HG LEU 45 -6.603 -9.859 4.023 365 HD11 LEU 45 1HD1 LEU 45 -6.676 -11.928 1.949 366 HD12 LEU 45 2HD1 LEU 45 -8.186 -11.721 2.836 367 HD13 LEU 45 3HD1 LEU 45 -6.694 -12.076 3.707 368 HD21 LEU 45 1HD2 LEU 45 -5.362 -10.499 1.502 369 HD22 LEU 45 2HD2 LEU 45 -4.805 -9.430 2.790 370 HD23 LEU 45 3HD2 LEU 45 -5.886 -8.815 1.538 371 H LEU 46 H LEU 46 -8.462 -7.598 5.066 372 HA LEU 46 HA LEU 46 -7.709 -9.471 7.183 373 HB2 LEU 46 1HB LEU 46 -7.135 -6.534 6.824 374 HB3 LEU 46 2HB LEU 46 -6.583 -7.505 8.187 375 HG LEU 46 HG LEU 46 -5.833 -8.325 5.416 376 HD11 LEU 46 1HD1 LEU 46 -5.394 -5.841 5.737 377 HD12 LEU 46 2HD1 LEU 46 -4.013 -6.848 5.301 378 HD13 LEU 46 3HD1 LEU 46 -4.227 -6.319 6.970 379 HD21 LEU 46 1HD2 LEU 46 -3.857 -9.162 6.561 380 HD22 LEU 46 2HD2 LEU 46 -5.324 -9.777 7.323 381 HD23 LEU 46 3HD2 LEU 46 -4.421 -8.462 8.078 382 H LYS 47 H LYS 47 -10.461 -8.131 6.372 383 HA LYS 47 HA LYS 47 -12.296 -7.257 7.433 384 HB2 LYS 47 1HB LYS 47 -11.307 -9.048 9.658 385 HB3 LYS 47 2HB LYS 47 -12.962 -8.513 9.401 386 HG2 LYS 47 1HG LYS 47 -13.091 -10.595 8.503 387 HG3 LYS 47 2HG LYS 47 -12.611 -9.690 7.066 388 HD2 LYS 47 1HD LYS 47 -10.414 -10.456 7.168 389 HD3 LYS 47 2HD LYS 47 -10.547 -10.899 8.872 390 HE2 LYS 47 1HE LYS 47 -12.303 -12.280 6.906 391 HE3 LYS 47 2HE LYS 47 -10.596 -12.718 6.954 392 HZ1 LYS 47 1HZ LYS 47 -11.514 -12.626 9.582 393 HZ2 LYS 47 2HZ LYS 47 -11.030 -13.984 8.698 394 HZ3 LYS 47 3HZ LYS 47 -12.653 -13.509 8.695 395 H VAL 48 H VAL 48 -10.241 -5.458 7.613 396 HA VAL 48 HA VAL 48 -10.567 -4.389 10.342 397 HB VAL 48 HB VAL 48 -8.167 -4.092 8.531 398 HG11 VAL 48 1HG1 VAL 48 -7.217 -2.627 10.055 399 HG12 VAL 48 2HG1 VAL 48 -8.903 -2.106 10.026 400 HG13 VAL 48 3HG1 VAL 48 -8.310 -3.106 11.352 401 HG21 VAL 48 1HG2 VAL 48 -8.866 -5.972 10.625 402 HG22 VAL 48 2HG2 VAL 48 -7.535 -6.015 9.470 403 HG23 VAL 48 3HG2 VAL 48 -7.365 -5.115 10.977 404 HA PRO 49 HA PRO 49 -12.462 -0.913 8.394 405 HB2 PRO 49 1HB PRO 49 -12.244 0.849 10.448 406 HB3 PRO 49 2HB PRO 49 -13.407 -0.482 10.443 407 HG2 PRO 49 1HG PRO 49 -10.737 -0.305 11.784 408 HG3 PRO 49 2HG PRO 49 -12.264 -0.949 12.414 409 HD2 PRO 49 1HD PRO 49 -10.291 -2.543 11.465 410 HD3 PRO 49 2HD PRO 49 -12.010 -2.963 11.321 411 H VAL 50 H VAL 50 -11.686 0.541 7.002 412 HA VAL 50 HA VAL 50 -9.048 1.092 6.540 413 HB VAL 50 HB VAL 50 -11.451 2.826 5.981 414 HG11 VAL 50 1HG1 VAL 50 -8.647 3.137 4.913 415 HG12 VAL 50 2HG1 VAL 50 -10.059 4.073 4.418 416 HG13 VAL 50 3HG1 VAL 50 -9.437 4.217 6.062 417 HG21 VAL 50 1HG2 VAL 50 -10.687 0.421 4.899 418 HG22 VAL 50 2HG2 VAL 50 -11.745 1.604 4.130 419 HG23 VAL 50 3HG2 VAL 50 -10.021 1.591 3.760 420 H SER 51 H SER 51 -11.100 2.467 8.963 421 HA SER 51 HA SER 51 -9.603 4.820 9.479 422 HB2 SER 51 1HB SER 51 -11.009 5.142 11.319 423 HB3 SER 51 2HB SER 51 -12.014 4.186 10.229 424 HG SER 51 HG SER 51 -11.962 2.576 11.592 425 H GLU 52 H GLU 52 -9.520 1.546 10.808 426 HA GLU 52 HA GLU 52 -7.312 2.258 12.573 427 HB2 GLU 52 1HB GLU 52 -8.778 -0.360 12.202 428 HB3 GLU 52 2HB GLU 52 -7.530 -0.061 13.403 429 HG2 GLU 52 1HG GLU 52 -10.037 1.577 13.281 430 HG3 GLU 52 2HG GLU 52 -9.952 0.054 14.165 431 H LEU 53 H LEU 53 -7.489 1.672 9.431 432 HA LEU 53 HA LEU 53 -5.224 -0.177 9.281 433 HB2 LEU 53 1HB LEU 53 -7.214 0.849 7.295 434 HB3 LEU 53 2HB LEU 53 -5.697 0.134 6.753 435 HG LEU 53 HG LEU 53 -7.649 -1.315 8.530 436 HD11 LEU 53 1HD1 LEU 53 -9.007 -1.272 6.738 437 HD12 LEU 53 2HD1 LEU 53 -7.910 -2.508 6.124 438 HD13 LEU 53 3HD1 LEU 53 -7.709 -0.828 5.630 439 HD21 LEU 53 1HD2 LEU 53 -5.411 -2.297 6.763 440 HD22 LEU 53 2HD2 LEU 53 -6.442 -3.285 7.798 441 HD23 LEU 53 3HD2 LEU 53 -5.326 -2.123 8.516 442 H LEU 54 H LEU 54 -3.531 1.135 9.949 443 HA LEU 54 HA LEU 54 -3.052 3.651 8.574 444 HB2 LEU 54 1HB LEU 54 -1.289 2.295 10.600 445 HB3 LEU 54 2HB LEU 54 -1.273 3.991 10.121 446 HG LEU 54 HG LEU 54 -2.241 3.866 12.288 447 HD11 LEU 54 1HD1 LEU 54 -4.695 4.054 10.606 448 HD12 LEU 54 2HD1 LEU 54 -3.384 5.207 10.357 449 HD13 LEU 54 3HD1 LEU 54 -4.158 5.080 11.937 450 HD21 LEU 54 1HD2 LEU 54 -4.419 2.040 11.368 451 HD22 LEU 54 2HD2 LEU 54 -3.829 2.353 13.000 452 HD23 LEU 54 3HD2 LEU 54 -2.873 1.371 11.889 453 H LEU 55 H LEU 55 -2.223 3.505 6.591 454 HA LEU 55 HA LEU 55 -0.424 1.342 5.881 455 HB2 LEU 55 1HB LEU 55 -2.010 3.367 4.450 456 HB3 LEU 55 2HB LEU 55 -0.477 2.937 3.695 457 HG LEU 55 HG LEU 55 -2.460 1.675 2.848 458 HD11 LEU 55 1HD1 LEU 55 -1.329 -0.438 2.753 459 HD12 LEU 55 2HD1 LEU 55 -0.374 -0.044 4.182 460 HD13 LEU 55 3HD1 LEU 55 -0.125 0.849 2.681 461 HD21 LEU 55 1HD2 LEU 55 -3.733 0.325 4.149 462 HD22 LEU 55 2HD2 LEU 55 -3.262 1.487 5.389 463 HD23 LEU 55 3HD2 LEU 55 -2.409 -0.051 5.252 464 H SER 56 H SER 56 1.724 1.528 5.423 465 HA SER 56 HA SER 56 2.979 4.160 5.469 466 HB2 SER 56 1HB SER 56 4.738 3.180 7.086 467 HB3 SER 56 2HB SER 56 3.193 3.693 7.765 468 HG SER 56 HG SER 56 2.622 1.343 7.327 469 H TYR 57 H TYR 57 4.298 4.257 3.788 470 HA TYR 57 HA TYR 57 5.353 1.774 2.651 471 HB2 TYR 57 1HB TYR 57 5.425 2.827 0.607 472 HB3 TYR 57 2HB TYR 57 4.102 3.713 1.358 473 HD1 TYR 57 1HD TYR 57 4.652 5.946 2.474 474 HD2 TYR 57 2HD TYR 57 7.323 3.954 -0.172 475 HE1 TYR 57 1HE TYR 57 5.856 8.060 2.108 476 HE2 TYR 57 2HE TYR 57 8.534 6.062 -0.545 477 HH TYR 57 HH TYR 57 8.536 8.271 -0.198 478 H GLU 58 H GLU 58 7.508 1.364 2.413 479 HA GLU 58 HA GLU 58 9.316 3.144 3.890 480 HB2 GLU 58 1HB GLU 58 9.019 0.639 4.455 481 HB3 GLU 58 2HB GLU 58 9.981 0.347 3.012 482 HG2 GLU 58 1HG GLU 58 11.664 1.982 4.093 483 HG3 GLU 58 2HG GLU 58 10.779 1.645 5.580 484 H SER 59 H SER 59 10.770 4.318 2.836 485 HA SER 59 HA SER 59 10.952 4.300 0.012 486 HB2 SER 59 1HB SER 59 11.345 6.318 1.395 487 HB3 SER 59 2HB SER 59 12.828 5.588 2.011 488 HG SER 59 HG SER 59 13.246 6.994 0.264 489 H SER 60 H SER 60 12.328 3.319 -1.351 490 HA SER 60 HA SER 60 13.828 1.092 -0.500 491 HB2 SER 60 1HB SER 60 14.015 2.595 -3.123 492 HB3 SER 60 2HB SER 60 14.608 0.962 -2.822 493 HG SER 60 HG SER 60 12.627 0.211 -2.924 494 H LYS 61 H LYS 61 14.847 4.313 -1.607 495 HA LYS 61 HA LYS 61 17.616 3.879 -1.330 496 HB2 LYS 61 1HB LYS 61 17.874 6.216 -1.630 497 HB3 LYS 61 2HB LYS 61 16.473 5.758 -2.590 498 HG2 LYS 61 1HG LYS 61 15.626 7.605 -1.593 499 HG3 LYS 61 2HG LYS 61 15.202 6.417 -0.358 500 HD2 LYS 61 1HD LYS 61 17.371 6.974 0.780 501 HD3 LYS 61 2HD LYS 61 17.555 8.301 -0.369 502 HE2 LYS 61 1HE LYS 61 15.079 8.003 1.299 503 HE3 LYS 61 2HE LYS 61 16.515 8.812 1.925 504 HZ1 LYS 61 1HZ LYS 61 15.691 9.704 -0.693 505 HZ2 LYS 61 2HZ LYS 61 16.148 10.605 0.664 506 HZ3 LYS 61 3HZ LYS 61 14.565 10.022 0.530 507 H MET 62 H MET 62 15.158 4.358 0.990 508 HA MET 62 HA MET 62 17.198 4.590 3.090 509 HB2 MET 62 1HB MET 62 16.060 6.793 2.674 510 HB3 MET 62 2HB MET 62 14.549 6.040 3.163 511 HG2 MET 62 1HG MET 62 15.129 5.968 5.361 512 HG3 MET 62 2HG MET 62 16.852 5.844 5.016 513 HE1 MET 62 1HE MET 62 18.301 7.279 5.504 514 HE2 MET 62 2HE MET 62 18.328 8.543 4.275 515 HE3 MET 62 3HE MET 62 18.132 8.970 5.976 516 HA PRO 63 HA PRO 63 14.530 0.950 3.927 517 HB2 PRO 63 1HB PRO 63 16.533 -0.528 5.010 518 HB3 PRO 63 2HB PRO 63 16.238 -0.439 3.270 519 HG2 PRO 63 1HG PRO 63 18.249 1.033 4.928 520 HG3 PRO 63 2HG PRO 63 18.453 0.266 3.342 521 HD2 PRO 63 1HD PRO 63 18.104 2.935 3.635 522 HD3 PRO 63 2HD PRO 63 17.507 2.043 2.220 523 H GLY 64 H GLY 64 13.788 0.098 5.909 524 HA2 GLY 64 1HA GLY 64 13.564 -0.045 8.223 525 HA3 GLY 64 2HA GLY 64 14.949 1.023 8.396 526 H ARG 65 H ARG 65 13.994 3.153 6.781 527 HA ARG 65 HA ARG 65 12.259 4.419 8.702 528 HB2 ARG 65 1HB ARG 65 14.191 5.561 7.557 529 HB3 ARG 65 2HB ARG 65 13.243 5.536 6.075 530 HG2 ARG 65 1HG ARG 65 11.453 6.708 7.629 531 HG3 ARG 65 2HG ARG 65 12.903 7.174 8.522 532 HD2 ARG 65 1HD ARG 65 13.793 7.866 6.176 533 HD3 ARG 65 2HD ARG 65 12.088 7.866 5.729 534 HE ARG 65 HE ARG 65 11.788 9.772 6.975 535 HH11 ARG 65 2HH1 ARG 65 14.887 8.369 7.716 536 HH12 ARG 65 1HH1 ARG 65 15.429 9.732 8.639 537 HH21 ARG 65 2HH2 ARG 65 12.490 11.571 8.188 538 HH22 ARG 65 1HH2 ARG 65 14.064 11.552 8.908 539 H GLU 66 H GLU 66 10.118 4.408 8.626 540 HA GLU 66 HA GLU 66 8.808 3.947 6.026 541 HB2 GLU 66 1HB GLU 66 7.047 2.781 7.145 542 HB3 GLU 66 2HB GLU 66 8.568 2.104 7.710 543 HG2 GLU 66 1HG GLU 66 7.133 4.251 9.232 544 HG3 GLU 66 2HG GLU 66 6.747 2.543 9.435 545 H ILE 67 H ILE 67 7.031 5.183 5.479 546 HA ILE 67 HA ILE 67 6.633 7.584 7.132 547 HB ILE 67 HB ILE 67 6.109 7.182 4.185 548 HG12 ILE 67 1HG1 ILE 67 7.911 9.105 4.194 549 HG13 ILE 67 2HG1 ILE 67 8.330 8.423 5.762 550 HG21 ILE 67 1HG2 ILE 67 4.901 8.980 5.942 551 HG22 ILE 67 2HG2 ILE 67 6.126 9.917 5.089 552 HG23 ILE 67 3HG2 ILE 67 4.894 9.043 4.180 553 HD11 ILE 67 1HD1 ILE 67 8.096 6.308 3.873 554 HD12 ILE 67 2HD1 ILE 67 9.143 7.564 3.211 555 HD13 ILE 67 3HD1 ILE 67 9.512 6.842 4.777 556 H GLU 68 H GLU 68 4.824 7.621 8.277 557 HA GLU 68 HA GLU 68 2.651 5.830 7.751 558 HB2 GLU 68 1HB GLU 68 2.968 8.087 9.733 559 HB3 GLU 68 2HB GLU 68 1.565 7.028 9.669 560 HG2 GLU 68 1HG GLU 68 3.382 5.144 9.866 561 HG3 GLU 68 2HG GLU 68 4.340 6.451 10.561 562 H LEU 69 H LEU 69 1.203 6.167 6.209 563 HA LEU 69 HA LEU 69 0.763 8.741 5.042 564 HB2 LEU 69 1HB LEU 69 -0.811 6.197 4.682 565 HB3 LEU 69 2HB LEU 69 -0.861 7.615 3.636 566 HG LEU 69 HG LEU 69 1.624 5.961 4.040 567 HD11 LEU 69 1HD1 LEU 69 -0.049 5.740 1.589 568 HD12 LEU 69 2HD1 LEU 69 -0.509 4.817 3.019 569 HD13 LEU 69 3HD1 LEU 69 1.082 4.586 2.295 570 HD21 LEU 69 1HD2 LEU 69 1.517 7.196 1.522 571 HD22 LEU 69 2HD2 LEU 69 2.568 7.600 2.880 572 HD23 LEU 69 3HD2 LEU 69 1.015 8.417 2.691 573 H GLU 70 H GLU 70 -0.193 10.213 6.336 574 HA GLU 70 HA GLU 70 -2.308 9.551 8.148 575 HB2 GLU 70 1HB GLU 70 -1.636 12.335 7.229 576 HB3 GLU 70 2HB GLU 70 -2.291 11.822 8.778 577 HG2 GLU 70 1HG GLU 70 -0.007 10.530 8.940 578 HG3 GLU 70 2HG GLU 70 0.507 11.757 7.784 579 H ASN 71 H ASN 71 -2.183 11.549 5.196 580 HA ASN 71 HA ASN 71 -5.011 11.829 5.036 581 HB2 ASN 71 1HB ASN 71 -2.686 12.535 3.316 582 HB3 ASN 71 2HB ASN 71 -4.266 12.446 2.544 583 HD21 ASN 71 1HD2 ASN 71 -5.266 14.308 2.440 584 HD22 ASN 71 2HD2 ASN 71 -5.146 15.601 3.579 585 H ASP 72 H ASP 72 -6.503 10.608 4.038 586 HA ASP 72 HA ASP 72 -5.592 8.111 2.805 587 HB2 ASP 72 1HB ASP 72 -8.447 8.758 3.499 588 HB3 ASP 72 2HB ASP 72 -7.683 7.179 3.343 589 H LEU 73 H LEU 73 -7.337 11.051 2.130 590 HA LEU 73 HA LEU 73 -8.277 10.122 -0.447 591 HB2 LEU 73 1HB LEU 73 -8.430 12.759 0.987 592 HB3 LEU 73 2HB LEU 73 -8.998 12.546 -0.667 593 HG LEU 73 HG LEU 73 -10.062 10.998 1.691 594 HD11 LEU 73 1HD1 LEU 73 -10.422 13.690 1.238 595 HD12 LEU 73 2HD1 LEU 73 -11.487 12.641 2.173 596 HD13 LEU 73 3HD1 LEU 73 -11.831 12.955 0.473 597 HD21 LEU 73 1HD2 LEU 73 -10.944 9.733 0.087 598 HD22 LEU 73 2HD2 LEU 73 -10.414 10.841 -1.179 599 HD23 LEU 73 3HD2 LEU 73 -11.942 11.122 -0.343 600 H GLN 74 H GLN 74 -5.435 10.067 -0.044 601 HA GLN 74 HA GLN 74 -4.633 11.937 -2.169 602 HB2 GLN 74 1HB GLN 74 -3.246 11.337 0.425 603 HB3 GLN 74 2HB GLN 74 -2.327 11.862 -0.980 604 HG2 GLN 74 1HG GLN 74 -4.564 13.373 0.350 605 HG3 GLN 74 2HG GLN 74 -2.842 13.735 0.461 606 HE21 GLN 74 1HE2 GLN 74 -5.691 14.363 -1.168 607 HE22 GLN 74 2HE2 GLN 74 -5.036 15.194 -2.534 608 HA PRO 75 HA PRO 75 -3.249 8.289 -4.222 609 HB2 PRO 75 1HB PRO 75 -1.617 9.460 -6.048 610 HB3 PRO 75 2HB PRO 75 -3.380 9.520 -6.158 611 HG2 PRO 75 1HG PRO 75 -1.475 11.587 -5.127 612 HG3 PRO 75 2HG PRO 75 -2.896 11.794 -6.168 613 HD2 PRO 75 1HD PRO 75 -2.948 12.314 -3.511 614 HD3 PRO 75 2HD PRO 75 -4.365 11.709 -4.393 615 H LEU 76 H LEU 76 -1.486 6.915 -4.294 616 HA LEU 76 HA LEU 76 0.432 7.070 -2.311 617 HB2 LEU 76 1HB LEU 76 0.291 5.526 -4.874 618 HB3 LEU 76 2HB LEU 76 1.695 5.393 -3.817 619 HG LEU 76 HG LEU 76 0.054 3.564 -3.522 620 HD11 LEU 76 1HD1 LEU 76 0.507 5.406 -1.183 621 HD12 LEU 76 2HD1 LEU 76 1.522 4.061 -1.701 622 HD13 LEU 76 3HD1 LEU 76 -0.085 3.751 -1.044 623 HD21 LEU 76 1HD2 LEU 76 -1.962 4.933 -3.972 624 HD22 LEU 76 2HD2 LEU 76 -1.743 5.713 -2.406 625 HD23 LEU 76 3HD2 LEU 76 -2.079 3.983 -2.491 626 H GLN 77 H GLN 77 0.555 8.239 -5.619 627 HA GLN 77 HA GLN 77 3.291 8.737 -5.835 628 HB2 GLN 77 1HB GLN 77 1.917 8.888 -7.785 629 HB3 GLN 77 2HB GLN 77 0.916 10.138 -7.058 630 HG2 GLN 77 1HG GLN 77 2.728 11.717 -7.160 631 HG3 GLN 77 2HG GLN 77 3.826 10.469 -7.745 632 HE21 GLN 77 1HE2 GLN 77 0.940 12.313 -8.534 633 HE22 GLN 77 2HE2 GLN 77 1.106 12.193 -10.249 634 H PHE 78 H PHE 78 0.743 10.564 -4.272 635 HA PHE 78 HA PHE 78 2.017 13.013 -3.937 636 HB2 PHE 78 1HB PHE 78 -0.313 12.775 -3.381 637 HB3 PHE 78 2HB PHE 78 0.054 11.577 -2.144 638 HD1 PHE 78 2HD PHE 78 0.407 15.145 -3.036 639 HD2 PHE 78 1HD PHE 78 0.598 12.220 0.050 640 HE1 PHE 78 2HE PHE 78 0.548 16.934 -1.353 641 HE2 PHE 78 1HE PHE 78 0.738 14.004 1.738 642 HZ PHE 78 HZ PHE 78 0.715 16.365 1.037 643 H TYR 79 H TYR 79 2.243 10.058 -2.020 644 HA TYR 79 HA TYR 79 4.070 11.292 -0.134 645 HB2 TYR 79 1HB TYR 79 2.980 8.485 -0.379 646 HB3 TYR 79 2HB TYR 79 4.121 8.979 0.867 647 HD1 TYR 79 2HD TYR 79 3.427 10.506 2.652 648 HD2 TYR 79 1HD TYR 79 0.666 9.160 -0.291 649 HE1 TYR 79 2HE TYR 79 1.561 11.261 4.066 650 HE2 TYR 79 1HE TYR 79 -1.208 9.912 1.114 651 HH TYR 79 HH TYR 79 -1.240 10.347 4.058 652 H SER 80 H SER 80 4.767 10.979 -3.010 653 HA SER 80 HA SER 80 6.540 10.394 -4.314 654 HB2 SER 80 1HB SER 80 7.859 10.368 -1.593 655 HB3 SER 80 2HB SER 80 8.749 10.226 -3.108 656 HG SER 80 HG SER 80 7.431 12.424 -2.007 657 H VAL 81 H VAL 81 4.839 8.300 -3.863 658 HA VAL 81 HA VAL 81 6.531 5.987 -3.246 659 HB VAL 81 HB VAL 81 3.545 6.154 -3.677 660 HG11 VAL 81 1HG1 VAL 81 4.235 3.767 -2.377 661 HG12 VAL 81 2HG1 VAL 81 3.601 3.958 -4.013 662 HG13 VAL 81 3HG1 VAL 81 5.343 3.916 -3.741 663 HG21 VAL 81 1HG2 VAL 81 3.280 6.372 -1.455 664 HG22 VAL 81 2HG2 VAL 81 4.625 5.293 -1.084 665 HG23 VAL 81 3HG2 VAL 81 4.935 6.980 -1.496 666 H GLU 82 H GLU 82 7.383 4.792 -4.813 667 HA GLU 82 HA GLU 82 6.069 4.718 -7.434 668 HB2 GLU 82 1HB GLU 82 8.954 5.392 -6.888 669 HB3 GLU 82 2HB GLU 82 8.415 4.789 -8.449 670 HG2 GLU 82 1HG GLU 82 7.140 6.692 -8.881 671 HG3 GLU 82 2HG GLU 82 7.145 7.189 -7.190 672 H ASN 83 H ASN 83 6.699 2.888 -8.756 673 HA ASN 83 HA ASN 83 6.504 0.453 -7.623 674 HB2 ASN 83 1HB ASN 83 7.854 -0.413 -9.635 675 HB3 ASN 83 2HB ASN 83 6.398 0.520 -9.972 676 HD21 ASN 83 1HD2 ASN 83 7.624 0.632 -12.069 677 HD22 ASN 83 2HD2 ASN 83 8.690 1.977 -12.276 678 H GLY 84 H GLY 84 7.814 -1.114 -6.743 679 HA2 GLY 84 1HA GLY 84 9.967 -2.056 -6.251 680 HA3 GLY 84 2HA GLY 84 10.656 -0.444 -6.372 681 H ASP 85 H ASP 85 8.878 0.972 -4.761 682 HA ASP 85 HA ASP 85 9.963 0.717 -2.250 683 HB2 ASP 85 1HB ASP 85 7.361 1.883 -3.200 684 HB3 ASP 85 2HB ASP 85 7.775 1.888 -1.488 685 H CYS 86 H CYS 86 8.460 0.350 -0.215 686 HA CYS 86 HA CYS 86 7.209 -2.298 -0.542 687 HB2 CYS 86 1HB CYS 86 8.748 -1.240 1.839 688 HB3 CYS 86 2HB CYS 86 7.957 -2.810 1.753 689 HG CYS 86 HG CYS 86 10.541 -1.849 -0.275 690 H LEU 87 H LEU 87 5.370 -2.766 0.698 691 HA LEU 87 HA LEU 87 4.007 -0.387 1.772 692 HB2 LEU 87 1HB LEU 87 2.985 -2.816 0.344 693 HB3 LEU 87 2HB LEU 87 1.920 -1.829 1.343 694 HG LEU 87 HG LEU 87 3.447 -0.857 -1.072 695 HD11 LEU 87 1HD1 LEU 87 0.669 -1.873 -0.683 696 HD12 LEU 87 2HD1 LEU 87 1.802 -2.169 -2.002 697 HD13 LEU 87 3HD1 LEU 87 0.982 -0.613 -1.877 698 HD21 LEU 87 1HD2 LEU 87 3.129 0.931 0.495 699 HD22 LEU 87 2HD2 LEU 87 1.439 0.485 0.733 700 HD23 LEU 87 3HD2 LEU 87 1.972 1.130 -0.821 701 H LEU 88 H LEU 88 3.521 -0.365 3.865 702 HA LEU 88 HA LEU 88 3.549 -2.922 5.330 703 HB2 LEU 88 1HB LEU 88 4.308 -0.198 6.373 704 HB3 LEU 88 2HB LEU 88 4.361 -1.712 7.273 705 HG LEU 88 HG LEU 88 6.022 -1.298 4.807 706 HD11 LEU 88 1HD1 LEU 88 7.798 -0.419 6.063 707 HD12 LEU 88 2HD1 LEU 88 6.998 -0.766 7.596 708 HD13 LEU 88 3HD1 LEU 88 6.385 0.517 6.553 709 HD21 LEU 88 1HD2 LEU 88 6.451 -3.030 7.235 710 HD22 LEU 88 2HD2 LEU 88 7.362 -3.055 5.725 711 HD23 LEU 88 3HD2 LEU 88 5.678 -3.581 5.749 712 H VAL 89 H VAL 89 1.690 -3.477 6.241 713 HA VAL 89 HA VAL 89 -0.358 -1.401 6.633 714 HB VAL 89 HB VAL 89 -0.677 -4.389 6.327 715 HG11 VAL 89 1HG1 VAL 89 -2.796 -2.263 6.628 716 HG12 VAL 89 2HG1 VAL 89 -3.072 -3.987 6.368 717 HG13 VAL 89 3HG1 VAL 89 -2.332 -3.426 7.868 718 HG21 VAL 89 1HG2 VAL 89 -0.807 -4.017 4.142 719 HG22 VAL 89 2HG2 VAL 89 -2.107 -2.853 4.399 720 HG23 VAL 89 3HG2 VAL 89 -0.427 -2.316 4.416 721 H ARG 90 H ARG 90 -0.809 -0.806 8.642 722 HA ARG 90 HA ARG 90 -0.500 -2.759 10.813 723 HB2 ARG 90 1HB ARG 90 1.451 -1.083 10.589 724 HB3 ARG 90 2HB ARG 90 0.306 0.115 11.177 725 HG2 ARG 90 1HG ARG 90 -0.061 -1.662 13.083 726 HG3 ARG 90 2HG ARG 90 1.555 -2.175 12.595 727 HD2 ARG 90 1HD ARG 90 2.013 -0.617 14.239 728 HD3 ARG 90 2HD ARG 90 2.131 0.347 12.768 729 HE ARG 90 HE ARG 90 -0.499 0.430 13.825 730 HH11 ARG 90 2HH1 ARG 90 2.713 1.680 14.312 731 HH12 ARG 90 1HH1 ARG 90 2.171 3.134 15.082 732 HH21 ARG 90 2HH2 ARG 90 -1.225 2.340 14.838 733 HH22 ARG 90 1HH2 ARG 90 -0.069 3.508 15.381 734 H TRP 91 H TRP 91 -1.909 -2.507 12.552 735 HA TRP 91 HA TRP 91 -3.814 -0.312 12.523 736 HB2 TRP 91 1HB TRP 91 -5.775 -1.752 12.460 737 HB3 TRP 91 2HB TRP 91 -4.805 -2.003 11.012 738 HD1 TRP 91 HD TRP 91 -5.560 -3.720 14.391 739 HE1 TRP 91 1HE TRP 91 -5.192 -6.251 14.101 740 HE3 TRP 91 3HE TRP 91 -3.736 -3.732 9.615 741 HZ2 TRP 91 2HZ TRP 91 -4.253 -8.019 12.110 742 HZ3 TRP 91 3HZ TRP 91 -3.127 -5.885 8.591 743 HH2 TRP 91 HH TRP 91 -3.380 -7.983 9.814 744 H SER 92 H SER 92 -4.620 0.158 14.516 745 HA SER 92 HA SER 92 -3.617 -1.489 16.732 746 HB2 SER 92 1HB SER 92 -2.842 0.811 16.798 747 HB3 SER 92 2HB SER 92 -4.496 1.407 16.665 748 HG SER 92 HG SER 92 -3.538 -0.197 18.801 749 H GLY 93 H GLY 93 -4.962 -2.076 18.453 750 HA2 GLY 93 1HA GLY 93 -7.227 -1.729 19.476 751 HA3 GLY 93 2HA GLY 93 -7.848 -1.899 17.841 752 HA PRO 94 HA PRO 94 -6.255 -6.229 19.398 753 HB2 PRO 94 1HB PRO 94 -6.206 -6.486 22.100 754 HB3 PRO 94 2HB PRO 94 -4.802 -5.968 21.159 755 HG2 PRO 94 1HG PRO 94 -6.763 -4.314 22.701 756 HG3 PRO 94 2HG PRO 94 -4.998 -4.168 22.618 757 HD2 PRO 94 1HD PRO 94 -6.660 -2.570 21.199 758 HD3 PRO 94 2HD PRO 94 -5.059 -3.053 20.602 759 H SER 95 H SER 95 -8.845 -4.302 20.217 760 HA SER 95 HA SER 95 -10.604 -5.574 21.771 761 HB2 SER 95 1HB SER 95 -11.047 -4.320 19.071 762 HB3 SER 95 2HB SER 95 -12.393 -4.975 20.002 763 HG SER 95 HG SER 95 -11.915 -3.534 21.651 764 H SER 96 H SER 96 -10.470 -7.764 21.986 765 HA SER 96 HA SER 96 -11.590 -9.335 19.785 766 HB2 SER 96 1HB SER 96 -9.908 -11.080 20.019 767 HB3 SER 96 2HB SER 96 -9.117 -9.547 19.651 768 HG SER 96 HG SER 96 -8.015 -9.873 21.398 769 H GLY 97 H GLY 97 -13.180 -10.607 20.476 770 HA2 GLY 97 1HA GLY 97 -13.156 -11.467 23.300 771 HA3 GLY 97 2HA GLY 97 -14.607 -10.794 22.570 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -12.129 4.200 -16.780 2 HA2 GLY 1 1HA GLY 1 -11.400 5.409 -18.604 3 HA3 GLY 1 2HA GLY 1 -12.447 6.723 -18.089 4 H SER 2 H SER 2 -9.948 7.213 -19.160 5 HA SER 2 HA SER 2 -8.711 8.628 -16.956 6 HB2 SER 2 1HB SER 2 -6.523 7.700 -17.190 7 HB3 SER 2 2HB SER 2 -7.629 6.334 -17.042 8 HG SER 2 HG SER 2 -7.593 6.565 -19.516 9 H SER 3 H SER 3 -7.591 10.439 -17.598 10 HA SER 3 HA SER 3 -8.276 11.857 -19.769 11 HB2 SER 3 1HB SER 3 -5.766 11.816 -18.152 12 HB3 SER 3 2HB SER 3 -5.798 12.802 -19.614 13 HG SER 3 HG SER 3 -7.455 12.990 -17.330 14 H GLY 4 H GLY 4 -5.347 9.817 -19.674 15 HA2 GLY 4 1HA GLY 4 -5.635 8.613 -22.135 16 HA3 GLY 4 2HA GLY 4 -4.824 10.137 -22.463 17 H SER 5 H SER 5 -4.593 7.108 -20.671 18 HA SER 5 HA SER 5 -2.809 5.875 -19.986 19 HB2 SER 5 1HB SER 5 -2.151 6.209 -22.397 20 HB3 SER 5 2HB SER 5 -1.161 7.571 -21.872 21 HG SER 5 HG SER 5 -0.806 4.830 -21.439 22 H SER 6 H SER 6 -3.521 8.077 -18.415 23 HA SER 6 HA SER 6 -0.932 9.119 -17.486 24 HB2 SER 6 1HB SER 6 -3.718 10.137 -16.877 25 HB3 SER 6 2HB SER 6 -2.206 10.882 -16.360 26 HG SER 6 HG SER 6 -2.993 10.489 -19.060 27 H GLY 7 H GLY 7 -0.399 7.176 -16.367 28 HA2 GLY 7 1HA GLY 7 -0.559 7.046 -13.730 29 HA3 GLY 7 2HA GLY 7 -2.133 6.389 -14.153 30 H GLN 8 H GLN 8 0.970 5.586 -13.390 31 HA GLN 8 HA GLN 8 0.855 3.056 -14.891 32 HB2 GLN 8 1HB GLN 8 3.238 2.882 -14.626 33 HB3 GLN 8 2HB GLN 8 2.867 4.482 -15.255 34 HG2 GLN 8 1HG GLN 8 2.968 5.262 -12.825 35 HG3 GLN 8 2HG GLN 8 3.740 3.712 -12.496 36 HE21 GLN 8 1HE2 GLN 8 4.155 6.881 -13.613 37 HE22 GLN 8 2HE2 GLN 8 5.809 6.753 -14.097 38 H LEU 9 H LEU 9 1.310 1.096 -13.805 39 HA LEU 9 HA LEU 9 0.426 1.103 -11.040 40 HB2 LEU 9 1HB LEU 9 0.708 -0.916 -13.192 41 HB3 LEU 9 2HB LEU 9 0.820 -1.487 -11.529 42 HG LEU 9 HG LEU 9 -1.447 -0.066 -11.351 43 HD11 LEU 9 1HD1 LEU 9 -2.559 -1.049 -13.633 44 HD12 LEU 9 2HD1 LEU 9 -0.986 -0.499 -14.208 45 HD13 LEU 9 3HD1 LEU 9 -2.067 0.626 -13.387 46 HD21 LEU 9 1HD2 LEU 9 -0.843 -2.897 -12.000 47 HD22 LEU 9 2HD2 LEU 9 -2.525 -2.375 -12.099 48 HD23 LEU 9 3HD2 LEU 9 -1.635 -2.200 -10.586 49 H LEU 10 H LEU 10 1.652 0.654 -9.296 50 HA LEU 10 HA LEU 10 4.526 0.261 -9.756 51 HB2 LEU 10 1HB LEU 10 3.452 0.933 -7.072 52 HB3 LEU 10 2HB LEU 10 4.957 1.430 -7.843 53 HG LEU 10 HG LEU 10 2.205 2.561 -8.340 54 HD11 LEU 10 1HD1 LEU 10 3.086 4.578 -7.387 55 HD12 LEU 10 2HD1 LEU 10 4.688 3.858 -7.230 56 HD13 LEU 10 3HD1 LEU 10 3.351 3.255 -6.251 57 HD21 LEU 10 1HD2 LEU 10 4.348 4.049 -9.528 58 HD22 LEU 10 2HD2 LEU 10 2.902 3.377 -10.282 59 HD23 LEU 10 3HD2 LEU 10 4.359 2.393 -10.133 60 H THR 11 H THR 11 5.639 -1.415 -8.852 61 HA THR 11 HA THR 11 4.013 -3.606 -7.800 62 HB THR 11 HB THR 11 6.906 -3.636 -8.682 63 HG1 THR 11 1HG THR 11 4.774 -4.817 -10.104 64 HG21 THR 11 1HG2 THR 11 6.028 -6.183 -8.901 65 HG22 THR 11 2HG2 THR 11 5.097 -5.646 -7.502 66 HG23 THR 11 3HG2 THR 11 6.858 -5.552 -7.479 67 H LEU 12 H LEU 12 3.742 -3.444 -5.652 68 HA LEU 12 HA LEU 12 6.157 -3.095 -4.002 69 HB2 LEU 12 1HB LEU 12 3.399 -2.263 -3.151 70 HB3 LEU 12 2HB LEU 12 4.941 -1.864 -2.396 71 HG LEU 12 HG LEU 12 4.252 -0.885 -5.148 72 HD11 LEU 12 1HD1 LEU 12 3.727 0.673 -2.635 73 HD12 LEU 12 2HD1 LEU 12 2.477 -0.281 -3.434 74 HD13 LEU 12 3HD1 LEU 12 3.247 1.055 -4.289 75 HD21 LEU 12 1HD2 LEU 12 5.751 1.016 -4.087 76 HD22 LEU 12 2HD2 LEU 12 6.462 -0.420 -4.824 77 HD23 LEU 12 3HD2 LEU 12 6.299 -0.316 -3.070 78 H LYS 13 H LYS 13 5.844 -3.987 -1.745 79 HA LYS 13 HA LYS 13 4.331 -6.513 -1.892 80 HB2 LYS 13 1HB LYS 13 7.032 -5.870 -0.762 81 HB3 LYS 13 2HB LYS 13 6.105 -7.211 -0.101 82 HG2 LYS 13 1HG LYS 13 6.126 -8.367 -2.158 83 HG3 LYS 13 2HG LYS 13 6.710 -6.949 -3.032 84 HD2 LYS 13 1HD LYS 13 8.860 -7.137 -2.133 85 HD3 LYS 13 2HD LYS 13 8.318 -8.186 -0.821 86 HE2 LYS 13 1HE LYS 13 8.056 -10.028 -2.273 87 HE3 LYS 13 2HE LYS 13 8.172 -9.011 -3.708 88 HZ1 LYS 13 1HZ LYS 13 10.519 -8.544 -2.471 89 HZ2 LYS 13 2HZ LYS 13 10.294 -9.663 -3.720 90 HZ3 LYS 13 3HZ LYS 13 10.265 -10.177 -2.108 91 H ILE 14 H ILE 14 2.868 -6.914 -0.349 92 HA ILE 14 HA ILE 14 2.544 -4.929 1.773 93 HB ILE 14 HB ILE 14 0.703 -7.076 0.726 94 HG12 ILE 14 1HG1 ILE 14 -0.710 -4.895 0.407 95 HG13 ILE 14 2HG1 ILE 14 0.848 -4.086 0.529 96 HG21 ILE 14 1HG2 ILE 14 -0.737 -5.414 2.442 97 HG22 ILE 14 2HG2 ILE 14 -0.299 -7.101 2.709 98 HG23 ILE 14 3HG2 ILE 14 0.742 -5.814 3.316 99 HD11 ILE 14 1HD1 ILE 14 0.804 -6.341 -1.331 100 HD12 ILE 14 2HD1 ILE 14 -0.255 -5.001 -1.769 101 HD13 ILE 14 3HD1 ILE 14 1.467 -4.718 -1.520 102 H LYS 15 H LYS 15 3.303 -5.324 3.733 103 HA LYS 15 HA LYS 15 3.440 -8.117 4.661 104 HB2 LYS 15 1HB LYS 15 5.692 -7.392 4.226 105 HB3 LYS 15 2HB LYS 15 5.430 -5.887 5.098 106 HG2 LYS 15 1HG LYS 15 4.983 -7.389 7.136 107 HG3 LYS 15 2HG LYS 15 5.757 -8.657 6.183 108 HD2 LYS 15 1HD LYS 15 7.794 -7.457 6.068 109 HD3 LYS 15 2HD LYS 15 7.039 -5.977 6.665 110 HE2 LYS 15 1HE LYS 15 7.356 -8.525 8.248 111 HE3 LYS 15 2HE LYS 15 8.414 -7.120 8.372 112 HZ1 LYS 15 1HZ LYS 15 5.991 -6.026 8.736 113 HZ2 LYS 15 2HZ LYS 15 7.014 -6.517 9.990 114 HZ3 LYS 15 3HZ LYS 15 5.773 -7.539 9.462 115 H CYS 16 H CYS 16 2.311 -8.509 6.445 116 HA CYS 16 HA CYS 16 0.993 -6.378 7.839 117 HB2 CYS 16 1HB CYS 16 1.040 -9.371 8.152 118 HB3 CYS 16 2HB CYS 16 0.226 -8.342 9.325 119 HG CYS 16 HG CYS 16 -1.212 -7.138 6.971 120 H SER 17 H SER 17 2.362 -5.118 8.996 121 HA SER 17 HA SER 17 4.658 -5.815 10.331 122 HB2 SER 17 1HB SER 17 2.614 -3.720 11.104 123 HB3 SER 17 2HB SER 17 4.241 -3.822 11.777 124 HG SER 17 HG SER 17 4.929 -2.824 10.074 125 H ASN 18 H ASN 18 1.390 -5.632 11.743 126 HA ASN 18 HA ASN 18 2.080 -6.556 14.292 127 HB2 ASN 18 1HB ASN 18 -0.567 -6.963 12.885 128 HB3 ASN 18 2HB ASN 18 -0.287 -6.955 14.624 129 HD21 ASN 18 1HD2 ASN 18 0.218 -4.986 15.650 130 HD22 ASN 18 2HD2 ASN 18 -0.197 -3.472 14.930 131 H GLN 19 H GLN 19 1.474 -8.255 11.313 132 HA GLN 19 HA GLN 19 1.677 -10.828 12.724 133 HB2 GLN 19 1HB GLN 19 0.923 -10.631 9.838 134 HB3 GLN 19 2HB GLN 19 0.450 -11.828 11.036 135 HG2 GLN 19 1HG GLN 19 -0.488 -8.986 11.185 136 HG3 GLN 19 2HG GLN 19 -1.327 -10.201 10.221 137 HE21 GLN 19 1HE2 GLN 19 -1.171 -8.740 13.180 138 HE22 GLN 19 2HE2 GLN 19 -2.026 -9.912 14.118 139 HA PRO 20 HA PRO 20 5.848 -10.483 10.920 140 HB2 PRO 20 1HB PRO 20 6.992 -12.142 12.739 141 HB3 PRO 20 2HB PRO 20 6.706 -10.426 13.050 142 HG2 PRO 20 1HG PRO 20 5.095 -12.800 13.904 143 HG3 PRO 20 2HG PRO 20 5.547 -11.361 14.836 144 HD2 PRO 20 1HD PRO 20 3.098 -11.664 13.720 145 HD3 PRO 20 2HD PRO 20 3.874 -10.078 13.904 146 H GLU 21 H GLU 21 4.411 -13.495 12.185 147 HA GLU 21 HA GLU 21 5.872 -15.226 10.505 148 HB2 GLU 21 1HB GLU 21 4.773 -15.998 12.552 149 HB3 GLU 21 2HB GLU 21 3.198 -15.652 11.850 150 HG2 GLU 21 1HG GLU 21 4.033 -17.295 9.979 151 HG3 GLU 21 2HG GLU 21 5.091 -17.867 11.267 152 H ARG 22 H ARG 22 2.829 -13.529 10.107 153 HA ARG 22 HA ARG 22 1.659 -14.827 8.006 154 HB2 ARG 22 1HB ARG 22 0.669 -12.871 9.090 155 HB3 ARG 22 2HB ARG 22 1.902 -11.837 8.379 156 HG2 ARG 22 1HG ARG 22 0.221 -11.464 6.904 157 HG3 ARG 22 2HG ARG 22 0.952 -12.875 6.136 158 HD2 ARG 22 1HD ARG 22 -1.165 -13.306 8.182 159 HD3 ARG 22 2HD ARG 22 -1.645 -12.735 6.585 160 HE ARG 22 HE ARG 22 -0.785 -15.363 7.275 161 HH11 ARG 22 2HH1 ARG 22 -0.795 -13.001 4.717 162 HH12 ARG 22 1HH1 ARG 22 -0.678 -14.179 3.452 163 HH21 ARG 22 2HH2 ARG 22 -0.631 -16.924 5.618 164 HH22 ARG 22 1HH2 ARG 22 -0.586 -16.410 3.966 165 H GLN 23 H GLN 23 2.085 -15.174 5.911 166 HA GLN 23 HA GLN 23 4.653 -14.601 4.861 167 HB2 GLN 23 1HB GLN 23 3.976 -15.782 2.933 168 HB3 GLN 23 2HB GLN 23 3.144 -16.562 4.271 169 HG2 GLN 23 1HG GLN 23 1.195 -14.976 3.672 170 HG3 GLN 23 2HG GLN 23 2.036 -14.796 2.133 171 HE21 GLN 23 1HE2 GLN 23 1.702 -16.271 0.614 172 HE22 GLN 23 2HE2 GLN 23 0.900 -17.784 0.842 173 H ILE 24 H ILE 24 5.033 -13.484 2.775 174 HA ILE 24 HA ILE 24 3.551 -10.951 2.731 175 HB ILE 24 HB ILE 24 6.194 -11.521 1.397 176 HG12 ILE 24 1HG1 ILE 24 5.851 -10.091 4.026 177 HG13 ILE 24 2HG1 ILE 24 6.127 -11.828 3.951 178 HG21 ILE 24 1HG2 ILE 24 5.930 -8.829 2.148 179 HG22 ILE 24 2HG2 ILE 24 5.895 -9.505 0.521 180 HG23 ILE 24 3HG2 ILE 24 4.393 -9.294 1.420 181 HD11 ILE 24 1HD1 ILE 24 8.117 -10.181 4.266 182 HD12 ILE 24 2HD1 ILE 24 8.283 -11.587 3.213 183 HD13 ILE 24 3HD1 ILE 24 7.983 -9.995 2.517 184 H LEU 25 H LEU 25 2.647 -10.137 0.873 185 HA LEU 25 HA LEU 25 2.543 -11.985 -1.421 186 HB2 LEU 25 1HB LEU 25 0.405 -9.970 -0.989 187 HB3 LEU 25 2HB LEU 25 0.315 -11.573 -1.716 188 HG LEU 25 HG LEU 25 -0.957 -11.563 0.317 189 HD11 LEU 25 1HD1 LEU 25 -0.110 -13.482 1.288 190 HD12 LEU 25 2HD1 LEU 25 1.565 -12.964 1.102 191 HD13 LEU 25 3HD1 LEU 25 0.646 -13.499 -0.305 192 HD21 LEU 25 1HD2 LEU 25 0.657 -9.653 1.232 193 HD22 LEU 25 2HD2 LEU 25 1.394 -11.036 2.043 194 HD23 LEU 25 3HD2 LEU 25 -0.312 -10.667 2.302 195 H GLU 26 H GLU 26 1.692 -10.677 -3.447 196 HA GLU 26 HA GLU 26 3.058 -8.087 -3.601 197 HB2 GLU 26 1HB GLU 26 4.365 -10.204 -4.510 198 HB3 GLU 26 2HB GLU 26 3.326 -9.961 -5.907 199 HG2 GLU 26 1HG GLU 26 4.143 -7.636 -6.063 200 HG3 GLU 26 2HG GLU 26 5.250 -7.969 -4.733 201 H LYS 27 H LYS 27 1.728 -6.606 -4.385 202 HA LYS 27 HA LYS 27 -0.261 -7.401 -6.399 203 HB2 LYS 27 1HB LYS 27 -1.359 -7.216 -4.191 204 HB3 LYS 27 2HB LYS 27 -0.782 -5.560 -4.056 205 HG2 LYS 27 1HG LYS 27 -2.891 -5.175 -4.809 206 HG3 LYS 27 2HG LYS 27 -2.047 -5.296 -6.354 207 HD2 LYS 27 1HD LYS 27 -2.813 -7.500 -6.712 208 HD3 LYS 27 2HD LYS 27 -3.337 -7.672 -5.035 209 HE2 LYS 27 1HE LYS 27 -4.538 -5.593 -6.831 210 HE3 LYS 27 2HE LYS 27 -5.117 -7.257 -6.854 211 HZ1 LYS 27 1HZ LYS 27 -6.277 -6.889 -5.020 212 HZ2 LYS 27 2HZ LYS 27 -5.856 -5.253 -5.102 213 HZ3 LYS 27 3HZ LYS 27 -4.916 -6.324 -4.190 214 H GLN 28 H GLN 28 -0.841 -5.797 -7.895 215 HA GLN 28 HA GLN 28 1.012 -3.510 -7.981 216 HB2 GLN 28 1HB GLN 28 -0.173 -5.221 -10.144 217 HB3 GLN 28 2HB GLN 28 0.384 -3.591 -10.502 218 HG2 GLN 28 1HG GLN 28 2.604 -4.245 -9.536 219 HG3 GLN 28 2HG GLN 28 2.007 -5.903 -9.479 220 HE21 GLN 28 1HE2 GLN 28 3.157 -3.341 -11.476 221 HE22 GLN 28 2HE2 GLN 28 3.250 -4.241 -12.948 222 H LEU 29 H LEU 29 0.154 -1.558 -7.762 223 HA LEU 29 HA LEU 29 -2.628 -1.121 -8.597 224 HB2 LEU 29 1HB LEU 29 -1.464 0.050 -6.084 225 HB3 LEU 29 2HB LEU 29 -3.140 0.104 -6.626 226 HG LEU 29 HG LEU 29 -2.959 -1.430 -4.791 227 HD11 LEU 29 1HD1 LEU 29 -4.066 -2.042 -7.227 228 HD12 LEU 29 2HD1 LEU 29 -4.347 -2.908 -5.718 229 HD13 LEU 29 3HD1 LEU 29 -3.122 -3.482 -6.849 230 HD21 LEU 29 1HD2 LEU 29 -0.425 -1.916 -5.674 231 HD22 LEU 29 2HD2 LEU 29 -1.261 -3.399 -6.135 232 HD23 LEU 29 3HD2 LEU 29 -1.273 -2.866 -4.453 233 HA PRO 30 HA PRO 30 -1.019 2.422 -10.647 234 HB2 PRO 30 1HB PRO 30 -3.278 3.921 -10.796 235 HB3 PRO 30 2HB PRO 30 -3.010 2.485 -11.791 236 HG2 PRO 30 1HG PRO 30 -4.600 2.773 -9.272 237 HG3 PRO 30 2HG PRO 30 -5.007 1.894 -10.757 238 HD2 PRO 30 1HD PRO 30 -4.060 0.654 -8.544 239 HD3 PRO 30 2HD PRO 30 -3.711 0.075 -10.186 240 H ASP 31 H ASP 31 0.182 4.024 -9.859 241 HA ASP 31 HA ASP 31 0.188 4.942 -7.267 242 HB2 ASP 31 1HB ASP 31 1.854 5.324 -9.271 243 HB3 ASP 31 2HB ASP 31 0.960 6.830 -9.456 244 H SER 32 H SER 32 -1.929 5.820 -9.840 245 HA SER 32 HA SER 32 -2.756 8.354 -8.882 246 HB2 SER 32 1HB SER 32 -3.137 7.277 -11.208 247 HB3 SER 32 2HB SER 32 -4.541 6.516 -10.460 248 HG SER 32 HG SER 32 -4.234 9.052 -11.332 249 H MET 33 H MET 33 -3.747 5.067 -8.184 250 HA MET 33 HA MET 33 -6.188 5.366 -7.003 251 HB2 MET 33 1HB MET 33 -4.730 3.259 -7.257 252 HB3 MET 33 2HB MET 33 -4.050 3.701 -5.697 253 HG2 MET 33 1HG MET 33 -6.499 3.771 -4.901 254 HG3 MET 33 2HG MET 33 -6.834 2.848 -6.364 255 HE1 MET 33 1HE MET 33 -7.027 -0.313 -4.672 256 HE2 MET 33 2HE MET 33 -7.687 0.952 -5.709 257 HE3 MET 33 3HE MET 33 -6.381 -0.079 -6.297 258 H THR 34 H THR 34 -6.939 5.772 -4.890 259 HA THR 34 HA THR 34 -5.314 7.721 -3.449 260 HB THR 34 HB THR 34 -7.461 8.053 -2.117 261 HG1 THR 34 1HG THR 34 -8.260 5.909 -3.067 262 HG21 THR 34 1HG2 THR 34 -7.739 8.540 -5.080 263 HG22 THR 34 2HG2 THR 34 -6.670 9.480 -4.040 264 HG23 THR 34 3HG2 THR 34 -8.410 9.495 -3.759 265 H VAL 35 H VAL 35 -4.487 7.412 -1.458 266 HA VAL 35 HA VAL 35 -3.821 5.027 -0.404 267 HB VAL 35 HB VAL 35 -4.439 7.606 1.008 268 HG11 VAL 35 1HG1 VAL 35 -4.119 4.964 2.198 269 HG12 VAL 35 2HG1 VAL 35 -2.964 6.150 2.809 270 HG13 VAL 35 3HG1 VAL 35 -4.695 6.469 2.915 271 HG21 VAL 35 1HG2 VAL 35 -2.049 6.221 -0.054 272 HG22 VAL 35 2HG2 VAL 35 -2.439 7.940 -0.015 273 HG23 VAL 35 3HG2 VAL 35 -1.845 7.137 1.439 274 H GLN 36 H GLN 36 -6.894 6.685 0.088 275 HA GLN 36 HA GLN 36 -7.966 5.089 2.098 276 HB2 GLN 36 1HB GLN 36 -8.869 7.245 0.870 277 HB3 GLN 36 2HB GLN 36 -9.729 6.064 -0.109 278 HG2 GLN 36 1HG GLN 36 -10.639 5.104 2.020 279 HG3 GLN 36 2HG GLN 36 -9.938 6.488 2.858 280 HE21 GLN 36 1HE2 GLN 36 -11.761 6.027 -0.155 281 HE22 GLN 36 2HE2 GLN 36 -12.952 7.231 0.182 282 H LYS 37 H LYS 37 -8.351 4.739 -1.428 283 HA LYS 37 HA LYS 37 -9.887 2.448 -1.476 284 HB2 LYS 37 1HB LYS 37 -7.713 3.348 -3.370 285 HB3 LYS 37 2HB LYS 37 -8.791 2.000 -3.704 286 HG2 LYS 37 1HG LYS 37 -9.980 4.635 -3.005 287 HG3 LYS 37 2HG LYS 37 -9.295 4.406 -4.616 288 HD2 LYS 37 1HD LYS 37 -10.713 2.311 -4.769 289 HD3 LYS 37 2HD LYS 37 -11.534 2.873 -3.311 290 HE2 LYS 37 1HE LYS 37 -12.886 3.686 -5.011 291 HE3 LYS 37 2HE LYS 37 -11.865 5.071 -4.627 292 HZ1 LYS 37 1HZ LYS 37 -11.189 3.172 -6.794 293 HZ2 LYS 37 2HZ LYS 37 -10.574 4.726 -6.535 294 HZ3 LYS 37 3HZ LYS 37 -12.170 4.525 -7.059 295 H VAL 38 H VAL 38 -6.326 2.612 -1.622 296 HA VAL 38 HA VAL 38 -5.735 -0.068 -1.662 297 HB VAL 38 HB VAL 38 -4.236 2.056 -0.122 298 HG11 VAL 38 1HG1 VAL 38 -3.163 -0.513 -1.269 299 HG12 VAL 38 2HG1 VAL 38 -2.334 0.632 -0.212 300 HG13 VAL 38 3HG1 VAL 38 -3.671 -0.336 0.411 301 HG21 VAL 38 1HG2 VAL 38 -4.664 2.532 -2.548 302 HG22 VAL 38 2HG2 VAL 38 -2.961 2.432 -2.101 303 HG23 VAL 38 3HG2 VAL 38 -3.737 1.082 -2.929 304 H LYS 39 H LYS 39 -6.701 1.904 1.080 305 HA LYS 39 HA LYS 39 -6.189 -0.140 3.030 306 HB2 LYS 39 1HB LYS 39 -7.695 2.474 3.146 307 HB3 LYS 39 2HB LYS 39 -7.527 1.402 4.531 308 HG2 LYS 39 1HG LYS 39 -5.172 1.696 4.581 309 HG3 LYS 39 2HG LYS 39 -5.181 2.525 3.022 310 HD2 LYS 39 1HD LYS 39 -6.317 4.411 3.956 311 HD3 LYS 39 2HD LYS 39 -6.588 3.562 5.479 312 HE2 LYS 39 1HE LYS 39 -4.130 3.468 5.802 313 HE3 LYS 39 2HE LYS 39 -3.934 4.434 4.341 314 HZ1 LYS 39 1HZ LYS 39 -5.042 6.253 5.357 315 HZ2 LYS 39 2HZ LYS 39 -3.872 5.717 6.455 316 HZ3 LYS 39 3HZ LYS 39 -5.500 5.327 6.697 317 H GLY 40 H GLY 40 -8.967 0.970 1.181 318 HA2 GLY 40 1HA GLY 40 -10.901 -0.557 2.623 319 HA3 GLY 40 2HA GLY 40 -11.128 0.184 1.046 320 H LEU 41 H LEU 41 -8.647 -1.320 0.124 321 HA LEU 41 HA LEU 41 -10.046 -3.574 -0.933 322 HB2 LEU 41 1HB LEU 41 -8.463 -2.603 -2.362 323 HB3 LEU 41 2HB LEU 41 -7.220 -2.587 -1.113 324 HG LEU 41 HG LEU 41 -7.456 -5.203 -1.311 325 HD11 LEU 41 1HD1 LEU 41 -8.146 -4.395 -4.119 326 HD12 LEU 41 2HD1 LEU 41 -9.369 -4.902 -2.955 327 HD13 LEU 41 3HD1 LEU 41 -8.083 -6.014 -3.423 328 HD21 LEU 41 1HD2 LEU 41 -5.459 -3.779 -1.779 329 HD22 LEU 41 2HD2 LEU 41 -6.025 -3.625 -3.442 330 HD23 LEU 41 3HD2 LEU 41 -5.589 -5.210 -2.801 331 H LEU 42 H LEU 42 -7.518 -3.126 1.497 332 HA LEU 42 HA LEU 42 -7.407 -5.980 2.032 333 HB2 LEU 42 1HB LEU 42 -5.963 -3.626 3.234 334 HB3 LEU 42 2HB LEU 42 -5.733 -5.292 3.763 335 HG LEU 42 HG LEU 42 -5.281 -4.570 0.897 336 HD11 LEU 42 1HD1 LEU 42 -2.822 -4.317 1.662 337 HD12 LEU 42 2HD1 LEU 42 -3.526 -3.905 3.225 338 HD13 LEU 42 3HD1 LEU 42 -3.913 -2.938 1.802 339 HD21 LEU 42 1HD2 LEU 42 -4.462 -6.635 0.778 340 HD22 LEU 42 2HD2 LEU 42 -5.113 -6.903 2.395 341 HD23 LEU 42 3HD2 LEU 42 -3.439 -6.385 2.192 342 H SER 43 H SER 43 -9.046 -3.203 3.179 343 HA SER 43 HA SER 43 -9.466 -3.799 5.862 344 HB2 SER 43 1HB SER 43 -10.206 -1.682 5.164 345 HB3 SER 43 2HB SER 43 -11.123 -2.346 3.812 346 HG SER 43 HG SER 43 -11.800 -3.008 6.464 347 H ARG 44 H ARG 44 -10.849 -5.212 3.000 348 HA ARG 44 HA ARG 44 -12.896 -6.629 4.504 349 HB2 ARG 44 1HB ARG 44 -12.179 -6.542 1.575 350 HB3 ARG 44 2HB ARG 44 -13.402 -7.628 2.223 351 HG2 ARG 44 1HG ARG 44 -13.524 -4.662 2.654 352 HG3 ARG 44 2HG ARG 44 -14.198 -5.436 1.217 353 HD2 ARG 44 1HD ARG 44 -15.580 -6.867 2.684 354 HD3 ARG 44 2HD ARG 44 -14.953 -5.997 4.083 355 HE ARG 44 HE ARG 44 -16.119 -4.243 2.157 356 HH11 ARG 44 2HH1 ARG 44 -16.844 -6.435 4.762 357 HH12 ARG 44 1HH1 ARG 44 -18.341 -5.663 5.169 358 HH21 ARG 44 2HH2 ARG 44 -18.088 -3.218 2.683 359 HH22 ARG 44 1HH2 ARG 44 -19.048 -3.834 3.985 360 H LEU 45 H LEU 45 -9.675 -7.088 3.510 361 HA LEU 45 HA LEU 45 -9.777 -9.967 3.386 362 HB2 LEU 45 1HB LEU 45 -7.644 -7.894 3.194 363 HB3 LEU 45 2HB LEU 45 -7.186 -9.561 3.533 364 HG LEU 45 HG LEU 45 -8.775 -8.699 1.120 365 HD11 LEU 45 1HD1 LEU 45 -5.923 -8.588 1.674 366 HD12 LEU 45 2HD1 LEU 45 -6.850 -7.881 0.351 367 HD13 LEU 45 3HD1 LEU 45 -6.311 -9.557 0.253 368 HD21 LEU 45 1HD2 LEU 45 -8.663 -11.155 2.214 369 HD22 LEU 45 2HD2 LEU 45 -7.233 -11.212 1.182 370 HD23 LEU 45 3HD2 LEU 45 -8.814 -10.862 0.481 371 H LEU 46 H LEU 46 -7.964 -7.738 5.506 372 HA LEU 46 HA LEU 46 -7.711 -9.782 7.527 373 HB2 LEU 46 1HB LEU 46 -6.893 -6.882 7.492 374 HB3 LEU 46 2HB LEU 46 -6.527 -8.008 8.797 375 HG LEU 46 HG LEU 46 -5.601 -8.505 5.983 376 HD11 LEU 46 1HD1 LEU 46 -4.343 -6.667 6.143 377 HD12 LEU 46 2HD1 LEU 46 -3.402 -7.580 7.323 378 HD13 LEU 46 3HD1 LEU 46 -4.669 -6.480 7.866 379 HD21 LEU 46 1HD2 LEU 46 -4.377 -10.186 6.859 380 HD22 LEU 46 2HD2 LEU 46 -5.605 -10.133 8.124 381 HD23 LEU 46 3HD2 LEU 46 -4.058 -9.319 8.361 382 H LYS 47 H LYS 47 -10.248 -8.010 6.669 383 HA LYS 47 HA LYS 47 -12.163 -7.303 7.673 384 HB2 LYS 47 1HB LYS 47 -11.367 -8.824 10.137 385 HB3 LYS 47 2HB LYS 47 -12.972 -8.583 9.461 386 HG2 LYS 47 1HG LYS 47 -10.798 -10.341 8.346 387 HG3 LYS 47 2HG LYS 47 -12.287 -10.865 9.136 388 HD2 LYS 47 1HD LYS 47 -12.370 -9.131 6.692 389 HD3 LYS 47 2HD LYS 47 -12.173 -10.880 6.554 390 HE2 LYS 47 1HE LYS 47 -14.281 -11.316 7.343 391 HE3 LYS 47 2HE LYS 47 -14.355 -9.826 8.283 392 HZ1 LYS 47 1HZ LYS 47 -14.943 -10.267 5.449 393 HZ2 LYS 47 2HZ LYS 47 -14.309 -8.766 5.902 394 HZ3 LYS 47 3HZ LYS 47 -15.757 -9.312 6.584 395 H VAL 48 H VAL 48 -9.970 -5.570 7.885 396 HA VAL 48 HA VAL 48 -10.380 -4.377 10.550 397 HB VAL 48 HB VAL 48 -8.025 -3.923 8.715 398 HG11 VAL 48 1HG1 VAL 48 -7.028 -2.756 10.531 399 HG12 VAL 48 2HG1 VAL 48 -8.656 -2.104 10.332 400 HG13 VAL 48 3HG1 VAL 48 -8.314 -3.244 11.634 401 HG21 VAL 48 1HG2 VAL 48 -8.018 -6.221 9.488 402 HG22 VAL 48 2HG2 VAL 48 -6.753 -5.307 10.309 403 HG23 VAL 48 3HG2 VAL 48 -8.254 -5.687 11.153 404 HA PRO 49 HA PRO 49 -12.388 -1.018 8.505 405 HB2 PRO 49 1HB PRO 49 -12.252 0.788 10.528 406 HB3 PRO 49 2HB PRO 49 -13.371 -0.581 10.536 407 HG2 PRO 49 1HG PRO 49 -10.723 -0.291 11.903 408 HG3 PRO 49 2HG PRO 49 -12.236 -0.974 12.527 409 HD2 PRO 49 1HD PRO 49 -10.200 -2.518 11.630 410 HD3 PRO 49 2HD PRO 49 -11.903 -2.998 11.475 411 H VAL 50 H VAL 50 -11.671 0.478 7.121 412 HA VAL 50 HA VAL 50 -9.040 1.094 6.662 413 HB VAL 50 HB VAL 50 -11.533 2.659 6.036 414 HG11 VAL 50 1HG1 VAL 50 -8.693 3.315 5.268 415 HG12 VAL 50 2HG1 VAL 50 -10.118 4.007 4.489 416 HG13 VAL 50 3HG1 VAL 50 -9.809 4.315 6.198 417 HG21 VAL 50 1HG2 VAL 50 -9.734 1.482 3.990 418 HG22 VAL 50 2HG2 VAL 50 -10.707 0.376 4.960 419 HG23 VAL 50 3HG2 VAL 50 -11.491 1.632 4.001 420 H SER 51 H SER 51 -11.095 2.346 9.118 421 HA SER 51 HA SER 51 -9.665 4.773 9.598 422 HB2 SER 51 1HB SER 51 -11.835 3.255 10.961 423 HB3 SER 51 2HB SER 51 -10.915 4.402 11.934 424 HG SER 51 HG SER 51 -11.872 5.217 9.431 425 H GLU 52 H GLU 52 -9.529 1.496 10.882 426 HA GLU 52 HA GLU 52 -7.449 2.235 12.781 427 HB2 GLU 52 1HB GLU 52 -8.749 -0.434 12.211 428 HB3 GLU 52 2HB GLU 52 -7.580 -0.132 13.488 429 HG2 GLU 52 1HG GLU 52 -10.238 1.258 13.274 430 HG3 GLU 52 2HG GLU 52 -9.946 -0.185 14.243 431 H LEU 53 H LEU 53 -7.579 1.479 9.573 432 HA LEU 53 HA LEU 53 -5.179 -0.148 9.475 433 HB2 LEU 53 1HB LEU 53 -7.154 0.861 7.487 434 HB3 LEU 53 2HB LEU 53 -5.554 0.381 6.924 435 HG LEU 53 HG LEU 53 -7.305 -1.464 8.527 436 HD11 LEU 53 1HD1 LEU 53 -7.296 -0.936 5.573 437 HD12 LEU 53 2HD1 LEU 53 -8.669 -1.017 6.677 438 HD13 LEU 53 3HD1 LEU 53 -7.797 -2.488 6.245 439 HD21 LEU 53 1HD2 LEU 53 -4.835 -1.739 6.852 440 HD22 LEU 53 2HD2 LEU 53 -5.889 -3.120 7.158 441 HD23 LEU 53 3HD2 LEU 53 -5.124 -2.278 8.507 442 H LEU 54 H LEU 54 -3.240 0.745 9.639 443 HA LEU 54 HA LEU 54 -2.858 3.483 8.622 444 HB2 LEU 54 1HB LEU 54 -1.255 2.061 10.740 445 HB3 LEU 54 2HB LEU 54 -1.070 3.737 10.229 446 HG LEU 54 HG LEU 54 -3.634 2.761 11.443 447 HD11 LEU 54 1HD1 LEU 54 -1.486 2.322 12.852 448 HD12 LEU 54 2HD1 LEU 54 -2.894 3.077 13.597 449 HD13 LEU 54 3HD1 LEU 54 -1.524 4.068 13.098 450 HD21 LEU 54 1HD2 LEU 54 -2.299 5.463 11.328 451 HD22 LEU 54 2HD2 LEU 54 -3.872 5.110 12.044 452 HD23 LEU 54 3HD2 LEU 54 -3.632 4.927 10.306 453 H LEU 55 H LEU 55 -2.067 3.241 6.610 454 HA LEU 55 HA LEU 55 -0.118 1.176 6.018 455 HB2 LEU 55 1HB LEU 55 -1.801 3.042 4.473 456 HB3 LEU 55 2HB LEU 55 -0.246 2.630 3.753 457 HG LEU 55 HG LEU 55 -0.821 0.324 3.632 458 HD11 LEU 55 1HD1 LEU 55 -2.822 -0.624 4.549 459 HD12 LEU 55 2HD1 LEU 55 -3.384 0.960 5.082 460 HD13 LEU 55 3HD1 LEU 55 -1.966 0.229 5.834 461 HD21 LEU 55 1HD2 LEU 55 -2.575 2.360 2.516 462 HD22 LEU 55 2HD2 LEU 55 -3.347 0.778 2.633 463 HD23 LEU 55 3HD2 LEU 55 -1.833 0.957 1.746 464 H SER 56 H SER 56 2.022 1.470 5.670 465 HA SER 56 HA SER 56 3.090 4.195 5.610 466 HB2 SER 56 1HB SER 56 4.935 3.282 7.214 467 HB3 SER 56 2HB SER 56 3.395 3.813 7.891 468 HG SER 56 HG SER 56 3.053 1.853 8.546 469 H TYR 57 H TYR 57 4.340 4.350 3.882 470 HA TYR 57 HA TYR 57 5.569 1.943 2.770 471 HB2 TYR 57 1HB TYR 57 5.555 2.983 0.719 472 HB3 TYR 57 2HB TYR 57 4.186 3.791 1.476 473 HD1 TYR 57 1HD TYR 57 4.461 6.097 2.374 474 HD2 TYR 57 2HD TYR 57 7.518 4.185 0.114 475 HE1 TYR 57 1HE TYR 57 5.527 8.279 1.982 476 HE2 TYR 57 2HE TYR 57 8.593 6.361 -0.284 477 HH TYR 57 HH TYR 57 8.412 8.812 1.257 478 H GLU 58 H GLU 58 7.697 1.561 2.810 479 HA GLU 58 HA GLU 58 9.407 3.507 4.158 480 HB2 GLU 58 1HB GLU 58 9.306 1.081 4.865 481 HB3 GLU 58 2HB GLU 58 10.107 0.685 3.351 482 HG2 GLU 58 1HG GLU 58 11.981 2.174 4.028 483 HG3 GLU 58 2HG GLU 58 11.195 2.365 5.595 484 H SER 59 H SER 59 10.622 4.844 3.012 485 HA SER 59 HA SER 59 10.983 4.514 0.191 486 HB2 SER 59 1HB SER 59 11.685 6.579 2.218 487 HB3 SER 59 2HB SER 59 12.623 6.559 0.724 488 HG SER 59 HG SER 59 10.250 7.607 1.093 489 H SER 60 H SER 60 12.676 3.712 -0.898 490 HA SER 60 HA SER 60 14.621 2.155 0.434 491 HB2 SER 60 1HB SER 60 13.846 1.628 -1.837 492 HB3 SER 60 2HB SER 60 14.574 3.117 -2.438 493 HG SER 60 HG SER 60 16.198 1.333 -1.030 494 H LYS 61 H LYS 61 14.862 5.244 -1.312 495 HA LYS 61 HA LYS 61 17.547 5.738 -1.128 496 HB2 LYS 61 1HB LYS 61 16.986 8.139 -1.139 497 HB3 LYS 61 2HB LYS 61 16.026 7.231 -2.299 498 HG2 LYS 61 1HG LYS 61 14.099 7.340 -0.929 499 HG3 LYS 61 2HG LYS 61 15.028 7.949 0.443 500 HD2 LYS 61 1HD LYS 61 15.586 9.954 -1.008 501 HD3 LYS 61 2HD LYS 61 14.348 9.369 -2.122 502 HE2 LYS 61 1HE LYS 61 12.633 9.837 -0.676 503 HE3 LYS 61 2HE LYS 61 13.646 9.654 0.755 504 HZ1 LYS 61 1HZ LYS 61 14.616 11.765 0.388 505 HZ2 LYS 61 2HZ LYS 61 12.945 11.977 0.242 506 HZ3 LYS 61 3HZ LYS 61 13.913 11.915 -1.144 507 H MET 62 H MET 62 15.112 6.121 1.391 508 HA MET 62 HA MET 62 17.283 6.674 3.307 509 HB2 MET 62 1HB MET 62 15.356 8.421 2.811 510 HB3 MET 62 2HB MET 62 14.458 7.406 3.932 511 HG2 MET 62 1HG MET 62 15.426 9.212 5.150 512 HG3 MET 62 2HG MET 62 16.262 7.725 5.594 513 HE1 MET 62 1HE MET 62 18.223 10.607 6.199 514 HE2 MET 62 2HE MET 62 17.806 8.978 6.729 515 HE3 MET 62 3HE MET 62 19.386 9.295 6.011 516 HA PRO 63 HA PRO 63 15.541 2.561 4.427 517 HB2 PRO 63 1HB PRO 63 17.925 1.530 5.215 518 HB3 PRO 63 2HB PRO 63 17.385 1.524 3.532 519 HG2 PRO 63 1HG PRO 63 19.270 3.398 4.909 520 HG3 PRO 63 2HG PRO 63 19.405 2.654 3.305 521 HD2 PRO 63 1HD PRO 63 18.576 5.207 3.662 522 HD3 PRO 63 2HD PRO 63 17.981 4.187 2.336 523 H GLY 64 H GLY 64 14.864 1.980 6.424 524 HA2 GLY 64 1HA GLY 64 14.951 1.769 8.757 525 HA3 GLY 64 2HA GLY 64 16.316 2.875 8.785 526 H ARG 65 H ARG 65 13.357 3.606 7.076 527 HA ARG 65 HA ARG 65 12.199 5.127 9.214 528 HB2 ARG 65 1HB ARG 65 14.182 6.493 8.165 529 HB3 ARG 65 2HB ARG 65 13.028 6.797 6.873 530 HG2 ARG 65 1HG ARG 65 11.443 7.587 8.709 531 HG3 ARG 65 2HG ARG 65 12.864 7.605 9.754 532 HD2 ARG 65 1HD ARG 65 13.894 8.975 7.751 533 HD3 ARG 65 2HD ARG 65 12.198 9.319 7.413 534 HE ARG 65 HE ARG 65 12.220 10.769 9.166 535 HH11 ARG 65 2HH1 ARG 65 14.783 8.457 9.621 536 HH12 ARG 65 1HH1 ARG 65 15.397 9.222 11.049 537 HH21 ARG 65 2HH2 ARG 65 13.019 11.785 11.045 538 HH22 ARG 65 1HH2 ARG 65 14.392 11.115 11.859 539 H GLU 66 H GLU 66 10.101 4.804 8.939 540 HA GLU 66 HA GLU 66 9.057 4.495 6.210 541 HB2 GLU 66 1HB GLU 66 7.223 3.272 7.155 542 HB3 GLU 66 2HB GLU 66 8.712 2.624 7.829 543 HG2 GLU 66 1HG GLU 66 8.306 4.127 9.821 544 HG3 GLU 66 2HG GLU 66 6.696 4.402 9.161 545 H ILE 67 H ILE 67 7.100 5.527 5.608 546 HA ILE 67 HA ILE 67 6.602 8.009 7.106 547 HB ILE 67 HB ILE 67 6.125 7.370 4.195 548 HG12 ILE 67 1HG1 ILE 67 7.713 9.495 4.128 549 HG13 ILE 67 2HG1 ILE 67 8.189 8.900 5.715 550 HG21 ILE 67 1HG2 ILE 67 4.692 9.060 4.065 551 HG22 ILE 67 2HG2 ILE 67 4.731 9.180 5.823 552 HG23 ILE 67 3HG2 ILE 67 5.839 10.145 4.849 553 HD11 ILE 67 1HD1 ILE 67 9.279 8.132 3.340 554 HD12 ILE 67 2HD1 ILE 67 9.374 7.224 4.850 555 HD13 ILE 67 3HD1 ILE 67 8.131 6.832 3.661 556 H GLU 68 H GLU 68 4.859 7.901 8.353 557 HA GLU 68 HA GLU 68 2.744 6.030 7.903 558 HB2 GLU 68 1HB GLU 68 1.679 7.120 9.853 559 HB3 GLU 68 2HB GLU 68 3.340 6.638 10.168 560 HG2 GLU 68 1HG GLU 68 4.016 9.000 9.664 561 HG3 GLU 68 2HG GLU 68 2.302 9.407 9.638 562 H LEU 69 H LEU 69 1.295 6.291 6.342 563 HA LEU 69 HA LEU 69 0.684 8.845 5.207 564 HB2 LEU 69 1HB LEU 69 -0.847 6.288 4.805 565 HB3 LEU 69 2HB LEU 69 -0.747 7.672 3.719 566 HG LEU 69 HG LEU 69 1.649 5.976 4.368 567 HD11 LEU 69 1HD1 LEU 69 -0.379 4.721 3.364 568 HD12 LEU 69 2HD1 LEU 69 1.207 4.530 2.617 569 HD13 LEU 69 3HD1 LEU 69 0.015 5.608 1.891 570 HD21 LEU 69 1HD2 LEU 69 2.404 6.869 2.178 571 HD22 LEU 69 2HD2 LEU 69 2.166 8.114 3.404 572 HD23 LEU 69 3HD2 LEU 69 0.961 7.882 2.137 573 H GLU 70 H GLU 70 -0.458 10.269 6.359 574 HA GLU 70 HA GLU 70 -2.596 9.370 8.115 575 HB2 GLU 70 1HB GLU 70 -1.807 12.232 7.622 576 HB3 GLU 70 2HB GLU 70 -2.590 11.543 9.038 577 HG2 GLU 70 1HG GLU 70 -0.382 10.183 9.256 578 HG3 GLU 70 2HG GLU 70 0.277 11.456 8.230 579 H ASN 71 H ASN 71 -2.150 11.028 5.072 580 HA ASN 71 HA ASN 71 -4.940 11.786 4.878 581 HB2 ASN 71 1HB ASN 71 -2.869 13.049 3.916 582 HB3 ASN 71 2HB ASN 71 -3.002 11.899 2.589 583 HD21 ASN 71 1HD2 ASN 71 -3.605 14.906 3.171 584 HD22 ASN 71 2HD2 ASN 71 -5.114 15.142 2.363 585 H ASP 72 H ASP 72 -6.443 10.924 3.457 586 HA ASP 72 HA ASP 72 -5.746 8.281 2.357 587 HB2 ASP 72 1HB ASP 72 -8.512 9.212 3.134 588 HB3 ASP 72 2HB ASP 72 -7.999 7.572 2.744 589 H LEU 73 H LEU 73 -7.760 11.156 1.820 590 HA LEU 73 HA LEU 73 -8.663 10.484 -0.746 591 HB2 LEU 73 1HB LEU 73 -8.136 13.333 -0.128 592 HB3 LEU 73 2HB LEU 73 -9.564 12.572 -0.826 593 HG LEU 73 HG LEU 73 -10.384 13.275 1.195 594 HD11 LEU 73 1HD1 LEU 73 -11.086 11.342 2.043 595 HD12 LEU 73 2HD1 LEU 73 -9.465 10.898 2.576 596 HD13 LEU 73 3HD1 LEU 73 -9.974 10.554 0.924 597 HD21 LEU 73 1HD2 LEU 73 -7.701 13.550 1.876 598 HD22 LEU 73 2HD2 LEU 73 -8.359 12.441 3.079 599 HD23 LEU 73 3HD2 LEU 73 -9.096 14.026 2.844 600 H GLN 74 H GLN 74 -5.567 11.350 0.331 601 HA GLN 74 HA GLN 74 -4.678 12.474 -2.184 602 HB2 GLN 74 1HB GLN 74 -3.149 11.693 0.303 603 HB3 GLN 74 2HB GLN 74 -2.445 12.496 -1.094 604 HG2 GLN 74 1HG GLN 74 -4.785 13.730 0.275 605 HG3 GLN 74 2HG GLN 74 -3.183 13.864 0.998 606 HE21 GLN 74 1HE2 GLN 74 -2.892 16.016 0.689 607 HE22 GLN 74 2HE2 GLN 74 -2.758 16.755 -0.867 608 HA PRO 75 HA PRO 75 -3.651 8.628 -4.078 609 HB2 PRO 75 1HB PRO 75 -1.932 9.565 -5.959 610 HB3 PRO 75 2HB PRO 75 -3.683 9.780 -6.066 611 HG2 PRO 75 1HG PRO 75 -1.592 11.708 -5.133 612 HG3 PRO 75 2HG PRO 75 -2.996 11.999 -6.178 613 HD2 PRO 75 1HD PRO 75 -2.981 12.636 -3.546 614 HD3 PRO 75 2HD PRO 75 -4.453 12.125 -4.397 615 H LEU 76 H LEU 76 -1.664 7.378 -4.742 616 HA LEU 76 HA LEU 76 0.159 7.282 -2.555 617 HB2 LEU 76 1HB LEU 76 -0.027 5.815 -5.168 618 HB3 LEU 76 2HB LEU 76 1.306 5.550 -4.045 619 HG LEU 76 HG LEU 76 -0.413 3.824 -3.842 620 HD11 LEU 76 1HD1 LEU 76 0.920 4.476 -1.883 621 HD12 LEU 76 2HD1 LEU 76 -0.691 3.917 -1.438 622 HD13 LEU 76 3HD1 LEU 76 -0.326 5.642 -1.438 623 HD21 LEU 76 1HD2 LEU 76 -2.229 6.095 -3.037 624 HD22 LEU 76 2HD2 LEU 76 -2.623 4.377 -2.957 625 HD23 LEU 76 3HD2 LEU 76 -2.347 5.147 -4.520 626 H GLN 77 H GLN 77 0.313 8.493 -5.849 627 HA GLN 77 HA GLN 77 3.085 8.879 -6.027 628 HB2 GLN 77 1HB GLN 77 2.616 10.357 -7.867 629 HB3 GLN 77 2HB GLN 77 1.490 9.008 -7.936 630 HG2 GLN 77 1HG GLN 77 -0.222 10.432 -6.867 631 HG3 GLN 77 2HG GLN 77 0.908 11.784 -6.933 632 HE21 GLN 77 1HE2 GLN 77 -0.736 12.845 -8.187 633 HE22 GLN 77 2HE2 GLN 77 -0.869 12.522 -9.879 634 H PHE 78 H PHE 78 0.631 10.627 -4.335 635 HA PHE 78 HA PHE 78 1.959 13.113 -4.093 636 HB2 PHE 78 1HB PHE 78 -0.411 12.954 -3.641 637 HB3 PHE 78 2HB PHE 78 -0.127 11.800 -2.342 638 HD1 PHE 78 2HD PHE 78 0.569 15.300 -3.368 639 HD2 PHE 78 1HD PHE 78 0.157 12.535 -0.159 640 HE1 PHE 78 2HE PHE 78 0.707 17.154 -1.758 641 HE2 PHE 78 1HE PHE 78 0.293 14.385 1.457 642 HZ PHE 78 HZ PHE 78 0.569 16.699 0.659 643 H TYR 79 H TYR 79 2.117 10.117 -2.285 644 HA TYR 79 HA TYR 79 3.781 11.283 -0.215 645 HB2 TYR 79 1HB TYR 79 2.692 8.520 -0.710 646 HB3 TYR 79 2HB TYR 79 3.894 8.825 0.538 647 HD1 TYR 79 2HD TYR 79 3.330 10.214 2.491 648 HD2 TYR 79 1HD TYR 79 0.410 9.220 -0.440 649 HE1 TYR 79 2HE TYR 79 1.547 10.874 4.052 650 HE2 TYR 79 1HE TYR 79 -1.381 9.878 1.112 651 HH TYR 79 HH TYR 79 -0.992 11.735 3.686 652 H SER 80 H SER 80 4.468 10.772 -3.233 653 HA SER 80 HA SER 80 6.361 10.381 -4.433 654 HB2 SER 80 1HB SER 80 7.451 10.732 -1.664 655 HB3 SER 80 2HB SER 80 8.527 10.195 -2.953 656 HG SER 80 HG SER 80 6.869 12.458 -3.262 657 H VAL 81 H VAL 81 4.732 8.183 -3.744 658 HA VAL 81 HA VAL 81 6.493 5.995 -3.014 659 HB VAL 81 HB VAL 81 3.585 6.001 -3.830 660 HG11 VAL 81 1HG1 VAL 81 4.555 3.672 -2.387 661 HG12 VAL 81 2HG1 VAL 81 3.578 3.769 -3.854 662 HG13 VAL 81 3HG1 VAL 81 5.337 3.873 -3.955 663 HG21 VAL 81 1HG2 VAL 81 4.656 6.904 -1.504 664 HG22 VAL 81 2HG2 VAL 81 3.035 6.227 -1.661 665 HG23 VAL 81 3HG2 VAL 81 4.367 5.209 -1.114 666 H GLU 82 H GLU 82 7.649 4.865 -4.422 667 HA GLU 82 HA GLU 82 6.769 4.795 -7.233 668 HB2 GLU 82 1HB GLU 82 9.152 4.755 -7.889 669 HB3 GLU 82 2HB GLU 82 8.704 6.242 -7.065 670 HG2 GLU 82 1HG GLU 82 9.803 5.589 -5.081 671 HG3 GLU 82 2HG GLU 82 9.994 3.931 -5.649 672 H ASN 83 H ASN 83 7.431 2.905 -8.441 673 HA ASN 83 HA ASN 83 6.847 0.503 -7.222 674 HB2 ASN 83 1HB ASN 83 7.442 -0.548 -9.234 675 HB3 ASN 83 2HB ASN 83 7.007 1.084 -9.732 676 HD21 ASN 83 1HD2 ASN 83 8.714 2.584 -10.163 677 HD22 ASN 83 2HD2 ASN 83 10.257 2.010 -10.687 678 H GLY 84 H GLY 84 7.977 -1.092 -6.214 679 HA2 GLY 84 1HA GLY 84 10.052 -2.255 -5.769 680 HA3 GLY 84 2HA GLY 84 10.888 -0.717 -5.926 681 H ASP 85 H ASP 85 8.655 0.558 -4.323 682 HA ASP 85 HA ASP 85 9.927 0.444 -1.807 683 HB2 ASP 85 1HB ASP 85 7.274 1.568 -2.702 684 HB3 ASP 85 2HB ASP 85 7.835 1.691 -1.037 685 H CYS 86 H CYS 86 8.435 0.103 0.231 686 HA CYS 86 HA CYS 86 7.078 -2.493 -0.077 687 HB2 CYS 86 1HB CYS 86 9.058 -1.581 1.991 688 HB3 CYS 86 2HB CYS 86 7.900 -2.854 2.358 689 HG CYS 86 HG CYS 86 8.967 -4.013 -0.303 690 H LEU 87 H LEU 87 5.035 -2.515 0.577 691 HA LEU 87 HA LEU 87 3.989 -0.228 2.043 692 HB2 LEU 87 1HB LEU 87 2.694 -2.538 0.619 693 HB3 LEU 87 2HB LEU 87 1.778 -1.384 1.585 694 HG LEU 87 HG LEU 87 3.323 -0.828 -0.943 695 HD11 LEU 87 1HD1 LEU 87 1.065 -0.096 -1.720 696 HD12 LEU 87 2HD1 LEU 87 0.396 -0.778 -0.238 697 HD13 LEU 87 3HD1 LEU 87 1.207 -1.825 -1.402 698 HD21 LEU 87 1HD2 LEU 87 1.899 1.439 -0.331 699 HD22 LEU 87 2HD2 LEU 87 3.636 1.222 -0.114 700 HD23 LEU 87 3HD2 LEU 87 2.536 0.939 1.236 701 H LEU 88 H LEU 88 3.883 -0.272 4.180 702 HA LEU 88 HA LEU 88 3.805 -2.851 5.564 703 HB2 LEU 88 1HB LEU 88 4.210 -0.116 6.754 704 HB3 LEU 88 2HB LEU 88 4.509 -1.673 7.524 705 HG LEU 88 HG LEU 88 6.050 -0.884 5.083 706 HD11 LEU 88 1HD1 LEU 88 7.479 -0.321 7.514 707 HD12 LEU 88 2HD1 LEU 88 6.020 0.664 7.407 708 HD13 LEU 88 3HD1 LEU 88 7.210 0.706 6.106 709 HD21 LEU 88 1HD2 LEU 88 6.296 -2.832 7.321 710 HD22 LEU 88 2HD2 LEU 88 7.767 -2.213 6.570 711 HD23 LEU 88 3HD2 LEU 88 6.564 -3.056 5.592 712 H VAL 89 H VAL 89 1.853 -3.601 6.038 713 HA VAL 89 HA VAL 89 -0.355 -1.739 6.491 714 HB VAL 89 HB VAL 89 -0.432 -4.752 6.280 715 HG11 VAL 89 1HG1 VAL 89 -2.495 -2.640 6.641 716 HG12 VAL 89 2HG1 VAL 89 -2.892 -4.042 5.646 717 HG13 VAL 89 3HG1 VAL 89 -2.405 -4.262 7.327 718 HG21 VAL 89 1HG2 VAL 89 -1.423 -4.239 4.009 719 HG22 VAL 89 2HG2 VAL 89 -0.816 -2.597 4.215 720 HG23 VAL 89 3HG2 VAL 89 0.309 -3.955 4.179 721 H ARG 90 H ARG 90 -0.088 -0.973 8.552 722 HA ARG 90 HA ARG 90 -0.143 -2.983 10.707 723 HB2 ARG 90 1HB ARG 90 1.937 -1.602 10.618 724 HB3 ARG 90 2HB ARG 90 0.949 -0.171 10.878 725 HG2 ARG 90 1HG ARG 90 0.764 -2.421 12.818 726 HG3 ARG 90 2HG ARG 90 2.163 -1.347 12.871 727 HD2 ARG 90 1HD ARG 90 0.315 0.523 12.777 728 HD3 ARG 90 2HD ARG 90 -0.708 -0.764 13.415 729 HE ARG 90 HE ARG 90 0.363 -0.568 15.426 730 HH11 ARG 90 2HH1 ARG 90 2.257 1.014 12.970 731 HH12 ARG 90 1HH1 ARG 90 3.381 1.701 14.095 732 HH21 ARG 90 2HH2 ARG 90 1.837 0.331 16.917 733 HH22 ARG 90 1HH2 ARG 90 3.142 1.312 16.340 734 H TRP 91 H TRP 91 -1.669 -2.797 12.283 735 HA TRP 91 HA TRP 91 -3.382 -0.431 12.330 736 HB2 TRP 91 1HB TRP 91 -5.423 -1.685 12.147 737 HB3 TRP 91 2HB TRP 91 -4.408 -2.106 10.771 738 HD1 TRP 91 HD TRP 91 -6.045 -3.597 13.843 739 HE1 TRP 91 1HE TRP 91 -5.715 -6.150 13.823 740 HE3 TRP 91 3HE TRP 91 -2.711 -3.954 9.984 741 HZ2 TRP 91 2HZ TRP 91 -4.236 -8.061 12.364 742 HZ3 TRP 91 3HZ TRP 91 -1.887 -6.181 9.340 743 HH2 TRP 91 HH TRP 91 -2.635 -8.191 10.507 744 H SER 92 H SER 92 -4.343 -0.025 14.304 745 HA SER 92 HA SER 92 -3.168 -1.430 16.552 746 HB2 SER 92 1HB SER 92 -3.211 1.006 16.614 747 HB3 SER 92 2HB SER 92 -4.966 1.004 16.439 748 HG SER 92 HG SER 92 -3.832 1.129 18.660 749 H GLY 93 H GLY 93 -4.125 -3.299 17.082 750 HA2 GLY 93 1HA GLY 93 -6.854 -3.249 18.008 751 HA3 GLY 93 2HA GLY 93 -6.628 -4.219 16.560 752 HA PRO 94 HA PRO 94 -4.144 -6.244 20.224 753 HB2 PRO 94 1HB PRO 94 -5.062 -5.582 22.692 754 HB3 PRO 94 2HB PRO 94 -3.757 -4.704 21.885 755 HG2 PRO 94 1HG PRO 94 -6.660 -4.007 22.096 756 HG3 PRO 94 2HG PRO 94 -5.241 -2.957 22.271 757 HD2 PRO 94 1HD PRO 94 -6.709 -3.056 19.997 758 HD3 PRO 94 2HD PRO 94 -4.962 -2.744 19.993 759 H SER 95 H SER 95 -7.578 -5.506 20.495 760 HA SER 95 HA SER 95 -8.542 -7.591 21.972 761 HB2 SER 95 1HB SER 95 -9.761 -6.474 19.435 762 HB3 SER 95 2HB SER 95 -10.622 -7.419 20.650 763 HG SER 95 HG SER 95 -10.955 -5.228 21.029 764 H SER 96 H SER 96 -8.186 -9.697 21.859 765 HA SER 96 HA SER 96 -7.205 -10.947 19.471 766 HB2 SER 96 1HB SER 96 -6.639 -11.534 21.928 767 HB3 SER 96 2HB SER 96 -8.153 -12.439 21.907 768 HG SER 96 HG SER 96 -6.114 -13.571 21.292 769 H GLY 97 H GLY 97 -8.205 -13.031 18.688 770 HA2 GLY 97 1HA GLY 97 -10.631 -14.058 18.918 771 HA3 GLY 97 2HA GLY 97 -11.034 -12.522 18.164 Start of MODEL 17 1 H1 GLY 1 H GLY 1 1.367 17.418 -13.572 2 HA2 GLY 1 1HA GLY 1 1.037 19.490 -11.502 3 HA3 GLY 1 2HA GLY 1 1.408 19.797 -13.192 4 H SER 2 H SER 2 -0.311 19.160 -14.771 5 HA SER 2 HA SER 2 -2.745 20.408 -14.074 6 HB2 SER 2 1HB SER 2 -2.042 18.676 -16.455 7 HB3 SER 2 2HB SER 2 -3.522 19.625 -16.311 8 HG SER 2 HG SER 2 -2.339 21.482 -16.380 9 H SER 3 H SER 3 -4.898 19.229 -14.674 10 HA SER 3 HA SER 3 -5.107 16.992 -12.840 11 HB2 SER 3 1HB SER 3 -7.118 18.711 -14.280 12 HB3 SER 3 2HB SER 3 -7.604 17.249 -13.423 13 HG SER 3 HG SER 3 -7.509 19.460 -12.302 14 H GLY 4 H GLY 4 -3.644 16.339 -15.119 15 HA2 GLY 4 1HA GLY 4 -5.197 15.133 -17.157 16 HA3 GLY 4 2HA GLY 4 -3.509 14.790 -16.809 17 H SER 5 H SER 5 -4.740 12.671 -17.613 18 HA SER 5 HA SER 5 -5.798 11.239 -15.280 19 HB2 SER 5 1HB SER 5 -5.973 10.768 -18.246 20 HB3 SER 5 2HB SER 5 -6.310 9.468 -17.104 21 HG SER 5 HG SER 5 -7.707 11.339 -16.146 22 H SER 6 H SER 6 -3.063 11.782 -15.268 23 HA SER 6 HA SER 6 -1.594 9.521 -16.256 24 HB2 SER 6 1HB SER 6 -0.777 11.971 -15.771 25 HB3 SER 6 2HB SER 6 -0.521 11.353 -14.140 26 HG SER 6 HG SER 6 1.306 11.173 -15.631 27 H GLY 7 H GLY 7 -0.491 7.957 -14.968 28 HA2 GLY 7 1HA GLY 7 -0.413 7.489 -12.335 29 HA3 GLY 7 2HA GLY 7 -2.087 7.094 -12.697 30 H GLN 8 H GLN 8 1.054 5.922 -12.541 31 HA GLN 8 HA GLN 8 0.410 3.620 -14.254 32 HB2 GLN 8 1HB GLN 8 2.768 3.186 -14.403 33 HB3 GLN 8 2HB GLN 8 2.498 4.885 -14.766 34 HG2 GLN 8 1HG GLN 8 3.311 5.560 -12.647 35 HG3 GLN 8 2HG GLN 8 3.316 3.902 -12.049 36 HE21 GLN 8 1HE2 GLN 8 5.175 6.337 -13.309 37 HE22 GLN 8 2HE2 GLN 8 6.546 5.411 -13.806 38 H LEU 9 H LEU 9 1.158 1.490 -13.482 39 HA LEU 9 HA LEU 9 0.370 1.117 -10.724 40 HB2 LEU 9 1HB LEU 9 0.809 -0.622 -13.086 41 HB3 LEU 9 2HB LEU 9 0.991 -1.356 -11.494 42 HG LEU 9 HG LEU 9 -1.393 -0.180 -11.157 43 HD11 LEU 9 1HD1 LEU 9 -2.096 0.679 -13.101 44 HD12 LEU 9 2HD1 LEU 9 -2.439 -0.996 -13.535 45 HD13 LEU 9 3HD1 LEU 9 -0.928 -0.244 -14.047 46 HD21 LEU 9 1HD2 LEU 9 -0.688 -2.855 -12.319 47 HD22 LEU 9 2HD2 LEU 9 -2.356 -2.418 -11.947 48 HD23 LEU 9 3HD2 LEU 9 -1.145 -2.452 -10.664 49 H LEU 10 H LEU 10 1.630 0.323 -9.073 50 HA LEU 10 HA LEU 10 4.528 0.222 -9.602 51 HB2 LEU 10 1HB LEU 10 3.507 0.824 -6.881 52 HB3 LEU 10 2HB LEU 10 4.982 1.367 -7.679 53 HG LEU 10 HG LEU 10 2.200 2.430 -8.168 54 HD11 LEU 10 1HD1 LEU 10 2.757 4.279 -6.910 55 HD12 LEU 10 2HD1 LEU 10 4.490 3.993 -7.059 56 HD13 LEU 10 3HD1 LEU 10 3.518 2.978 -5.995 57 HD21 LEU 10 1HD2 LEU 10 4.382 2.405 -9.898 58 HD22 LEU 10 2HD2 LEU 10 4.390 4.015 -9.179 59 HD23 LEU 10 3HD2 LEU 10 2.949 3.427 -10.009 60 H THR 11 H THR 11 5.633 -1.530 -8.946 61 HA THR 11 HA THR 11 4.114 -3.755 -7.859 62 HB THR 11 HB THR 11 7.034 -3.754 -8.625 63 HG1 THR 11 1HG THR 11 6.400 -4.251 -10.684 64 HG21 THR 11 1HG2 THR 11 5.095 -5.763 -7.747 65 HG22 THR 11 2HG2 THR 11 6.858 -5.815 -7.749 66 HG23 THR 11 3HG2 THR 11 5.962 -6.207 -9.216 67 H LEU 12 H LEU 12 3.790 -3.338 -5.701 68 HA LEU 12 HA LEU 12 6.214 -3.103 -4.042 69 HB2 LEU 12 1HB LEU 12 3.441 -2.260 -3.240 70 HB3 LEU 12 2HB LEU 12 4.957 -1.913 -2.412 71 HG LEU 12 HG LEU 12 4.361 -0.843 -5.157 72 HD11 LEU 12 1HD1 LEU 12 4.024 1.245 -3.383 73 HD12 LEU 12 2HD1 LEU 12 3.153 -0.090 -2.630 74 HD13 LEU 12 3HD1 LEU 12 2.749 0.410 -4.272 75 HD21 LEU 12 1HD2 LEU 12 6.625 -0.594 -4.717 76 HD22 LEU 12 2HD2 LEU 12 6.362 -0.289 -3.000 77 HD23 LEU 12 3HD2 LEU 12 5.952 0.948 -4.189 78 H LYS 13 H LYS 13 6.126 -4.157 -1.940 79 HA LYS 13 HA LYS 13 4.548 -6.637 -2.058 80 HB2 LYS 13 1HB LYS 13 7.091 -6.064 -0.525 81 HB3 LYS 13 2HB LYS 13 6.255 -7.610 -0.590 82 HG2 LYS 13 1HG LYS 13 6.604 -7.367 -3.163 83 HG3 LYS 13 2HG LYS 13 7.875 -6.240 -2.683 84 HD2 LYS 13 1HD LYS 13 9.014 -8.254 -2.815 85 HD3 LYS 13 2HD LYS 13 8.624 -8.151 -1.097 86 HE2 LYS 13 1HE LYS 13 6.600 -9.541 -1.556 87 HE3 LYS 13 2HE LYS 13 7.184 -9.753 -3.206 88 HZ1 LYS 13 1HZ LYS 13 9.337 -10.490 -1.863 89 HZ2 LYS 13 2HZ LYS 13 8.111 -11.576 -2.285 90 HZ3 LYS 13 3HZ LYS 13 8.162 -10.923 -0.725 91 H ILE 14 H ILE 14 2.935 -6.871 -0.667 92 HA ILE 14 HA ILE 14 2.570 -4.968 1.477 93 HB ILE 14 HB ILE 14 0.880 -7.318 0.616 94 HG12 ILE 14 1HG1 ILE 14 -0.622 -5.194 0.047 95 HG13 ILE 14 2HG1 ILE 14 0.953 -4.417 -0.072 96 HG21 ILE 14 1HG2 ILE 14 0.648 -5.408 2.871 97 HG22 ILE 14 2HG2 ILE 14 -0.828 -5.836 2.008 98 HG23 ILE 14 3HG2 ILE 14 0.151 -7.096 2.759 99 HD11 ILE 14 1HD1 ILE 14 -0.246 -5.581 -2.137 100 HD12 ILE 14 2HD1 ILE 14 1.508 -5.530 -1.958 101 HD13 ILE 14 3HD1 ILE 14 0.616 -6.981 -1.500 102 H LYS 15 H LYS 15 3.442 -5.235 3.412 103 HA LYS 15 HA LYS 15 3.696 -7.969 4.481 104 HB2 LYS 15 1HB LYS 15 5.911 -7.212 3.920 105 HB3 LYS 15 2HB LYS 15 5.642 -5.672 4.725 106 HG2 LYS 15 1HG LYS 15 5.380 -6.970 6.868 107 HG3 LYS 15 2HG LYS 15 5.960 -8.382 5.983 108 HD2 LYS 15 1HD LYS 15 7.836 -7.414 7.092 109 HD3 LYS 15 2HD LYS 15 7.995 -7.049 5.372 110 HE2 LYS 15 1HE LYS 15 7.400 -4.811 5.673 111 HE3 LYS 15 2HE LYS 15 6.680 -5.119 7.252 112 HZ1 LYS 15 1HZ LYS 15 9.570 -5.510 6.785 113 HZ2 LYS 15 2HZ LYS 15 8.758 -5.279 8.251 114 HZ3 LYS 15 3HZ LYS 15 8.946 -3.987 7.175 115 H CYS 16 H CYS 16 2.649 -8.288 6.328 116 HA CYS 16 HA CYS 16 1.259 -6.167 7.626 117 HB2 CYS 16 1HB CYS 16 1.578 -9.106 8.119 118 HB3 CYS 16 2HB CYS 16 0.856 -8.091 9.362 119 HG CYS 16 HG CYS 16 -1.373 -9.001 8.247 120 H SER 17 H SER 17 1.560 -5.311 9.687 121 HA SER 17 HA SER 17 4.328 -5.266 10.561 122 HB2 SER 17 1HB SER 17 3.137 -3.141 10.384 123 HB3 SER 17 2HB SER 17 1.913 -3.709 11.520 124 HG SER 17 HG SER 17 4.587 -3.766 12.325 125 H ASN 18 H ASN 18 5.119 -6.320 12.265 126 HA ASN 18 HA ASN 18 5.264 -7.628 14.120 127 HB2 ASN 18 1HB ASN 18 3.944 -5.713 15.101 128 HB3 ASN 18 2HB ASN 18 2.486 -6.655 14.805 129 HD21 ASN 18 1HD2 ASN 18 1.777 -7.629 16.545 130 HD22 ASN 18 2HD2 ASN 18 2.744 -8.291 17.815 131 H GLN 19 H GLN 19 4.174 -8.688 11.651 132 HA GLN 19 HA GLN 19 2.747 -10.992 12.781 133 HB2 GLN 19 1HB GLN 19 2.070 -9.700 10.135 134 HB3 GLN 19 2HB GLN 19 1.286 -11.108 10.840 135 HG2 GLN 19 1HG GLN 19 1.300 -8.406 12.154 136 HG3 GLN 19 2HG GLN 19 0.042 -8.935 11.039 137 HE21 GLN 19 1HE2 GLN 19 -0.656 -11.329 11.650 138 HE22 GLN 19 2HE2 GLN 19 -1.117 -11.510 13.305 139 HA PRO 20 HA PRO 20 6.428 -12.512 10.542 140 HB2 PRO 20 1HB PRO 20 6.745 -14.691 12.131 141 HB3 PRO 20 2HB PRO 20 7.367 -13.092 12.557 142 HG2 PRO 20 1HG PRO 20 4.868 -14.460 13.477 143 HG3 PRO 20 2HG PRO 20 6.042 -13.522 14.419 144 HD2 PRO 20 1HD PRO 20 3.682 -12.487 13.585 145 HD3 PRO 20 2HD PRO 20 5.150 -11.503 13.754 146 H GLU 21 H GLU 21 3.785 -14.545 11.810 147 HA GLU 21 HA GLU 21 4.058 -16.639 9.974 148 HB2 GLU 21 1HB GLU 21 2.665 -16.558 12.121 149 HB3 GLU 21 2HB GLU 21 1.425 -15.773 11.153 150 HG2 GLU 21 1HG GLU 21 1.161 -17.680 9.777 151 HG3 GLU 21 2HG GLU 21 2.606 -18.441 10.442 152 H ARG 22 H ARG 22 2.435 -13.551 9.738 153 HA ARG 22 HA ARG 22 0.927 -14.148 7.400 154 HB2 ARG 22 1HB ARG 22 1.618 -11.699 8.939 155 HB3 ARG 22 2HB ARG 22 1.097 -11.484 7.273 156 HG2 ARG 22 1HG ARG 22 -0.545 -13.226 9.025 157 HG3 ARG 22 2HG ARG 22 -0.610 -11.482 9.285 158 HD2 ARG 22 1HD ARG 22 -1.597 -11.079 7.266 159 HD3 ARG 22 2HD ARG 22 -0.849 -12.479 6.499 160 HE ARG 22 HE ARG 22 -2.781 -13.189 8.493 161 HH11 ARG 22 2HH1 ARG 22 -2.340 -12.262 5.167 162 HH12 ARG 22 1HH1 ARG 22 -3.804 -13.016 4.627 163 HH21 ARG 22 2HH2 ARG 22 -4.710 -14.186 7.795 164 HH22 ARG 22 1HH2 ARG 22 -5.151 -14.109 6.123 165 H GLN 23 H GLN 23 2.156 -14.976 5.765 166 HA GLN 23 HA GLN 23 4.702 -14.126 4.999 167 HB2 GLN 23 1HB GLN 23 3.878 -16.229 4.211 168 HB3 GLN 23 2HB GLN 23 2.502 -15.464 3.427 169 HG2 GLN 23 1HG GLN 23 4.163 -16.137 1.799 170 HG3 GLN 23 2HG GLN 23 3.996 -14.382 1.837 171 HE21 GLN 23 1HE2 GLN 23 6.008 -13.967 1.008 172 HE22 GLN 23 2HE2 GLN 23 7.469 -14.271 1.879 173 H ILE 24 H ILE 24 5.426 -12.803 3.297 174 HA ILE 24 HA ILE 24 3.832 -10.437 2.908 175 HB ILE 24 HB ILE 24 6.532 -11.136 1.748 176 HG12 ILE 24 1HG1 ILE 24 5.934 -9.344 4.103 177 HG13 ILE 24 2HG1 ILE 24 6.339 -11.047 4.281 178 HG21 ILE 24 1HG2 ILE 24 6.269 -9.308 0.514 179 HG22 ILE 24 2HG2 ILE 24 4.732 -8.941 1.294 180 HG23 ILE 24 3HG2 ILE 24 6.240 -8.367 2.005 181 HD11 ILE 24 1HD1 ILE 24 8.079 -8.838 4.050 182 HD12 ILE 24 2HD1 ILE 24 8.486 -10.546 4.215 183 HD13 ILE 24 3HD1 ILE 24 8.289 -9.837 2.612 184 H LEU 25 H LEU 25 2.746 -9.814 1.127 185 HA LEU 25 HA LEU 25 2.736 -11.674 -1.155 186 HB2 LEU 25 1HB LEU 25 0.578 -9.670 -0.645 187 HB3 LEU 25 2HB LEU 25 0.498 -11.197 -1.522 188 HG LEU 25 HG LEU 25 -0.741 -11.583 0.412 189 HD11 LEU 25 1HD1 LEU 25 0.281 -13.428 1.196 190 HD12 LEU 25 2HD1 LEU 25 1.758 -12.563 1.618 191 HD13 LEU 25 3HD1 LEU 25 1.470 -13.054 -0.051 192 HD21 LEU 25 1HD2 LEU 25 1.396 -10.549 2.232 193 HD22 LEU 25 2HD2 LEU 25 -0.331 -10.747 2.531 194 HD23 LEU 25 3HD2 LEU 25 0.240 -9.440 1.493 195 H GLU 26 H GLU 26 1.933 -10.484 -3.234 196 HA GLU 26 HA GLU 26 3.252 -7.868 -3.458 197 HB2 GLU 26 1HB GLU 26 4.845 -9.483 -4.297 198 HB3 GLU 26 2HB GLU 26 3.616 -10.225 -5.312 199 HG2 GLU 26 1HG GLU 26 3.461 -7.805 -6.324 200 HG3 GLU 26 2HG GLU 26 5.097 -7.676 -5.678 201 H LYS 27 H LYS 27 1.846 -6.428 -4.179 202 HA LYS 27 HA LYS 27 -0.157 -7.274 -6.164 203 HB2 LYS 27 1HB LYS 27 -0.920 -6.800 -3.681 204 HB3 LYS 27 2HB LYS 27 -0.813 -5.122 -4.196 205 HG2 LYS 27 1HG LYS 27 -2.572 -5.306 -5.643 206 HG3 LYS 27 2HG LYS 27 -2.323 -7.034 -5.900 207 HD2 LYS 27 1HD LYS 27 -3.257 -7.557 -3.762 208 HD3 LYS 27 2HD LYS 27 -3.300 -5.853 -3.304 209 HE2 LYS 27 1HE LYS 27 -5.509 -6.378 -3.899 210 HE3 LYS 27 2HE LYS 27 -4.852 -5.527 -5.297 211 HZ1 LYS 27 1HZ LYS 27 -5.273 -8.445 -4.994 212 HZ2 LYS 27 2HZ LYS 27 -4.368 -7.771 -6.253 213 HZ3 LYS 27 3HZ LYS 27 -6.012 -7.403 -6.104 214 H GLN 28 H GLN 28 -0.787 -5.703 -7.687 215 HA GLN 28 HA GLN 28 1.064 -3.419 -7.886 216 HB2 GLN 28 1HB GLN 28 -0.130 -5.201 -9.992 217 HB3 GLN 28 2HB GLN 28 0.470 -3.598 -10.394 218 HG2 GLN 28 1HG GLN 28 2.659 -4.301 -9.342 219 HG3 GLN 28 2HG GLN 28 2.012 -5.941 -9.328 220 HE21 GLN 28 1HE2 GLN 28 4.037 -4.069 -10.938 221 HE22 GLN 28 2HE2 GLN 28 3.855 -4.682 -12.543 222 H LEU 29 H LEU 29 0.102 -1.554 -7.461 223 HA LEU 29 HA LEU 29 -2.646 -1.138 -8.431 224 HB2 LEU 29 1HB LEU 29 -1.485 -0.092 -5.853 225 HB3 LEU 29 2HB LEU 29 -3.111 0.212 -6.459 226 HG LEU 29 HG LEU 29 -3.116 -1.431 -4.655 227 HD11 LEU 29 1HD1 LEU 29 -3.940 -3.396 -6.392 228 HD12 LEU 29 2HD1 LEU 29 -4.111 -1.922 -7.345 229 HD13 LEU 29 3HD1 LEU 29 -4.928 -2.066 -5.788 230 HD21 LEU 29 1HD2 LEU 29 -1.761 -3.220 -4.535 231 HD22 LEU 29 2HD2 LEU 29 -0.758 -2.307 -5.663 232 HD23 LEU 29 3HD2 LEU 29 -1.862 -3.544 -6.266 233 HA PRO 30 HA PRO 30 -1.092 2.448 -10.444 234 HB2 PRO 30 1HB PRO 30 -3.358 3.938 -10.558 235 HB3 PRO 30 2HB PRO 30 -3.094 2.512 -11.569 236 HG2 PRO 30 1HG PRO 30 -4.661 2.770 -9.031 237 HG3 PRO 30 2HG PRO 30 -5.078 1.904 -10.521 238 HD2 PRO 30 1HD PRO 30 -4.105 0.647 -8.329 239 HD3 PRO 30 2HD PRO 30 -3.770 0.085 -9.979 240 H ASP 31 H ASP 31 0.217 3.867 -9.487 241 HA ASP 31 HA ASP 31 0.204 4.810 -6.947 242 HB2 ASP 31 1HB ASP 31 1.835 5.235 -8.990 243 HB3 ASP 31 2HB ASP 31 0.962 6.762 -9.076 244 H SER 32 H SER 32 -1.928 5.751 -9.487 245 HA SER 32 HA SER 32 -2.737 8.269 -8.497 246 HB2 SER 32 1HB SER 32 -3.179 7.264 -10.813 247 HB3 SER 32 2HB SER 32 -4.515 6.396 -10.057 248 HG SER 32 HG SER 32 -4.299 9.165 -9.676 249 H MET 33 H MET 33 -4.009 4.996 -8.011 250 HA MET 33 HA MET 33 -6.312 5.409 -6.656 251 HB2 MET 33 1HB MET 33 -4.872 3.231 -7.095 252 HB3 MET 33 2HB MET 33 -4.391 3.486 -5.423 253 HG2 MET 33 1HG MET 33 -6.451 2.993 -4.603 254 HG3 MET 33 2HG MET 33 -7.285 3.570 -6.044 255 HE1 MET 33 1HE MET 33 -6.088 0.982 -3.971 256 HE2 MET 33 2HE MET 33 -6.478 -0.539 -4.774 257 HE3 MET 33 3HE MET 33 -4.896 0.206 -5.015 258 H THR 34 H THR 34 -6.980 6.115 -4.692 259 HA THR 34 HA THR 34 -5.099 7.656 -3.133 260 HB THR 34 HB THR 34 -7.138 8.199 -1.740 261 HG1 THR 34 1HG THR 34 -8.924 7.137 -2.127 262 HG21 THR 34 1HG2 THR 34 -6.320 9.172 -4.197 263 HG22 THR 34 2HG2 THR 34 -7.461 9.948 -3.098 264 HG23 THR 34 3HG2 THR 34 -8.053 8.922 -4.404 265 H VAL 35 H VAL 35 -4.433 7.268 -1.057 266 HA VAL 35 HA VAL 35 -3.911 4.766 -0.154 267 HB VAL 35 HB VAL 35 -4.447 7.245 1.476 268 HG11 VAL 35 1HG1 VAL 35 -4.785 5.595 3.072 269 HG12 VAL 35 2HG1 VAL 35 -3.604 4.506 2.342 270 HG13 VAL 35 3HG1 VAL 35 -3.062 5.935 3.223 271 HG21 VAL 35 1HG2 VAL 35 -2.533 7.651 0.254 272 HG22 VAL 35 2HG2 VAL 35 -1.868 6.943 1.726 273 HG23 VAL 35 3HG2 VAL 35 -2.035 5.960 0.271 274 H GLN 36 H GLN 36 -6.891 6.572 0.311 275 HA GLN 36 HA GLN 36 -8.113 5.007 2.255 276 HB2 GLN 36 1HB GLN 36 -8.897 7.213 1.161 277 HB3 GLN 36 2HB GLN 36 -9.646 6.180 -0.049 278 HG2 GLN 36 1HG GLN 36 -10.974 5.094 1.667 279 HG3 GLN 36 2HG GLN 36 -10.193 6.072 2.909 280 HE21 GLN 36 1HE2 GLN 36 -12.421 6.077 0.232 281 HE22 GLN 36 2HE2 GLN 36 -13.161 7.596 0.591 282 H LYS 37 H LYS 37 -8.496 4.742 -1.282 283 HA LYS 37 HA LYS 37 -10.092 2.504 -1.384 284 HB2 LYS 37 1HB LYS 37 -8.048 3.671 -3.212 285 HB3 LYS 37 2HB LYS 37 -8.641 2.054 -3.570 286 HG2 LYS 37 1HG LYS 37 -10.984 3.240 -3.220 287 HG3 LYS 37 2HG LYS 37 -10.044 4.662 -3.681 288 HD2 LYS 37 1HD LYS 37 -9.207 3.019 -5.591 289 HD3 LYS 37 2HD LYS 37 -10.765 2.255 -5.269 290 HE2 LYS 37 1HE LYS 37 -10.684 5.209 -5.602 291 HE3 LYS 37 2HE LYS 37 -10.505 4.204 -7.039 292 HZ1 LYS 37 1HZ LYS 37 -12.599 3.206 -6.651 293 HZ2 LYS 37 2HZ LYS 37 -12.831 4.874 -6.495 294 HZ3 LYS 37 3HZ LYS 37 -12.740 3.900 -5.115 295 H VAL 38 H VAL 38 -6.527 2.543 -1.499 296 HA VAL 38 HA VAL 38 -5.991 -0.131 -1.614 297 HB VAL 38 HB VAL 38 -4.526 1.894 0.085 298 HG11 VAL 38 1HG1 VAL 38 -2.958 0.364 0.542 299 HG12 VAL 38 2HG1 VAL 38 -4.189 -0.825 0.109 300 HG13 VAL 38 3HG1 VAL 38 -3.004 -0.303 -1.090 301 HG21 VAL 38 1HG2 VAL 38 -4.901 2.197 -2.500 302 HG22 VAL 38 2HG2 VAL 38 -3.330 2.527 -1.768 303 HG23 VAL 38 3HG2 VAL 38 -3.610 1.000 -2.605 304 H LYS 39 H LYS 39 -6.612 1.749 1.341 305 HA LYS 39 HA LYS 39 -6.390 -0.447 3.113 306 HB2 LYS 39 1HB LYS 39 -7.575 2.303 3.320 307 HB3 LYS 39 2HB LYS 39 -7.802 1.141 4.620 308 HG2 LYS 39 1HG LYS 39 -5.568 1.128 5.183 309 HG3 LYS 39 2HG LYS 39 -5.056 1.689 3.589 310 HD2 LYS 39 1HD LYS 39 -6.048 3.893 4.074 311 HD3 LYS 39 2HD LYS 39 -6.490 3.322 5.685 312 HE2 LYS 39 1HE LYS 39 -3.953 2.754 5.872 313 HE3 LYS 39 2HE LYS 39 -3.786 3.910 4.551 314 HZ1 LYS 39 1HZ LYS 39 -5.069 4.476 7.169 315 HZ2 LYS 39 2HZ LYS 39 -4.854 5.583 5.909 316 HZ3 LYS 39 3HZ LYS 39 -3.509 4.956 6.721 317 H GLY 40 H GLY 40 -9.165 1.095 1.530 318 HA2 GLY 40 1HA GLY 40 -11.174 -0.424 2.789 319 HA3 GLY 40 2HA GLY 40 -11.331 0.394 1.241 320 H LEU 41 H LEU 41 -9.004 -1.197 0.194 321 HA LEU 41 HA LEU 41 -10.557 -3.371 -0.845 322 HB2 LEU 41 1HB LEU 41 -9.059 -2.338 -2.347 323 HB3 LEU 41 2HB LEU 41 -7.713 -2.480 -1.218 324 HG LEU 41 HG LEU 41 -8.199 -5.074 -1.583 325 HD11 LEU 41 1HD1 LEU 41 -9.084 -3.783 -4.159 326 HD12 LEU 41 2HD1 LEU 41 -10.089 -4.739 -3.071 327 HD13 LEU 41 3HD1 LEU 41 -8.751 -5.500 -3.931 328 HD21 LEU 41 1HD2 LEU 41 -6.051 -4.552 -2.042 329 HD22 LEU 41 2HD2 LEU 41 -6.480 -3.098 -2.943 330 HD23 LEU 41 3HD2 LEU 41 -6.608 -4.681 -3.711 331 H LEU 42 H LEU 42 -7.972 -3.007 1.505 332 HA LEU 42 HA LEU 42 -7.658 -5.863 1.843 333 HB2 LEU 42 1HB LEU 42 -6.496 -3.499 3.303 334 HB3 LEU 42 2HB LEU 42 -6.126 -5.176 3.702 335 HG LEU 42 HG LEU 42 -5.587 -3.991 0.987 336 HD11 LEU 42 1HD1 LEU 42 -4.268 -3.404 3.449 337 HD12 LEU 42 2HD1 LEU 42 -3.889 -2.840 1.822 338 HD13 LEU 42 3HD1 LEU 42 -3.187 -4.343 2.420 339 HD21 LEU 42 1HD2 LEU 42 -4.647 -6.464 2.430 340 HD22 LEU 42 2HD2 LEU 42 -3.958 -5.881 0.914 341 HD23 LEU 42 3HD2 LEU 42 -5.649 -6.381 0.980 342 H SER 43 H SER 43 -9.205 -3.180 3.507 343 HA SER 43 HA SER 43 -9.775 -4.108 5.972 344 HB2 SER 43 1HB SER 43 -10.705 -2.024 5.480 345 HB3 SER 43 2HB SER 43 -11.486 -2.609 4.012 346 HG SER 43 HG SER 43 -12.221 -3.537 6.579 347 H ARG 44 H ARG 44 -11.387 -5.124 2.990 348 HA ARG 44 HA ARG 44 -13.234 -6.865 4.284 349 HB2 ARG 44 1HB ARG 44 -12.302 -6.711 1.414 350 HB3 ARG 44 2HB ARG 44 -13.596 -7.762 1.974 351 HG2 ARG 44 1HG ARG 44 -13.682 -4.800 2.419 352 HG3 ARG 44 2HG ARG 44 -14.236 -5.532 0.911 353 HD2 ARG 44 1HD ARG 44 -15.711 -7.018 2.329 354 HD3 ARG 44 2HD ARG 44 -15.299 -5.977 3.691 355 HE ARG 44 HE ARG 44 -17.121 -5.391 1.560 356 HH11 ARG 44 2HH1 ARG 44 -14.950 -3.999 3.899 357 HH12 ARG 44 1HH1 ARG 44 -15.769 -2.472 3.944 358 HH21 ARG 44 2HH2 ARG 44 -18.207 -3.385 1.610 359 HH22 ARG 44 1HH2 ARG 44 -17.622 -2.125 2.642 360 H LEU 45 H LEU 45 -10.010 -7.228 2.965 361 HA LEU 45 HA LEU 45 -9.982 -10.080 3.026 362 HB2 LEU 45 1HB LEU 45 -7.971 -7.926 2.636 363 HB3 LEU 45 2HB LEU 45 -7.393 -9.537 3.053 364 HG LEU 45 HG LEU 45 -8.893 -10.265 1.028 365 HD11 LEU 45 1HD1 LEU 45 -8.152 -7.846 -0.357 366 HD12 LEU 45 2HD1 LEU 45 -9.287 -7.512 0.950 367 HD13 LEU 45 3HD1 LEU 45 -9.704 -8.682 -0.301 368 HD21 LEU 45 1HD2 LEU 45 -6.653 -10.756 0.836 369 HD22 LEU 45 2HD2 LEU 45 -6.154 -9.078 1.050 370 HD23 LEU 45 3HD2 LEU 45 -6.866 -9.599 -0.478 371 H LEU 46 H LEU 46 -8.295 -7.669 5.048 372 HA LEU 46 HA LEU 46 -7.840 -9.682 7.093 373 HB2 LEU 46 1HB LEU 46 -7.033 -6.788 6.884 374 HB3 LEU 46 2HB LEU 46 -6.629 -7.829 8.247 375 HG LEU 46 HG LEU 46 -5.801 -8.589 5.472 376 HD11 LEU 46 1HD1 LEU 46 -3.627 -7.441 5.969 377 HD12 LEU 46 2HD1 LEU 46 -4.449 -6.602 7.284 378 HD13 LEU 46 3HD1 LEU 46 -4.980 -6.364 5.619 379 HD21 LEU 46 1HD2 LEU 46 -3.910 -9.093 7.552 380 HD22 LEU 46 2HD2 LEU 46 -4.786 -10.244 6.544 381 HD23 LEU 46 3HD2 LEU 46 -5.497 -9.675 8.055 382 H LYS 47 H LYS 47 -10.554 -8.569 6.430 383 HA LYS 47 HA LYS 47 -12.351 -7.537 7.473 384 HB2 LYS 47 1HB LYS 47 -12.914 -8.785 9.573 385 HB3 LYS 47 2HB LYS 47 -12.538 -9.812 8.195 386 HG2 LYS 47 1HG LYS 47 -10.362 -9.107 10.099 387 HG3 LYS 47 2HG LYS 47 -11.555 -10.323 10.564 388 HD2 LYS 47 1HD LYS 47 -10.987 -11.713 8.733 389 HD3 LYS 47 2HD LYS 47 -10.055 -10.430 7.956 390 HE2 LYS 47 1HE LYS 47 -8.496 -10.498 9.912 391 HE3 LYS 47 2HE LYS 47 -9.370 -11.916 10.488 392 HZ1 LYS 47 1HZ LYS 47 -7.616 -11.640 8.149 393 HZ2 LYS 47 2HZ LYS 47 -8.857 -12.788 8.109 394 HZ3 LYS 47 3HZ LYS 47 -7.670 -12.868 9.312 395 H VAL 48 H VAL 48 -10.463 -5.680 7.657 396 HA VAL 48 HA VAL 48 -10.700 -4.719 10.431 397 HB VAL 48 HB VAL 48 -8.297 -4.421 8.625 398 HG11 VAL 48 1HG1 VAL 48 -8.991 -2.414 10.082 399 HG12 VAL 48 2HG1 VAL 48 -8.470 -3.412 11.441 400 HG13 VAL 48 3HG1 VAL 48 -7.324 -2.980 10.172 401 HG21 VAL 48 1HG2 VAL 48 -7.621 -5.442 11.162 402 HG22 VAL 48 2HG2 VAL 48 -9.021 -6.358 10.602 403 HG23 VAL 48 3HG2 VAL 48 -7.566 -6.275 9.608 404 HA PRO 49 HA PRO 49 -12.570 -1.179 8.580 405 HB2 PRO 49 1HB PRO 49 -12.323 0.533 10.672 406 HB3 PRO 49 2HB PRO 49 -13.498 -0.787 10.645 407 HG2 PRO 49 1HG PRO 49 -10.817 -0.664 11.971 408 HG3 PRO 49 2HG PRO 49 -12.346 -1.310 12.596 409 HD2 PRO 49 1HD PRO 49 -10.394 -2.899 11.597 410 HD3 PRO 49 2HD PRO 49 -12.118 -3.299 11.455 411 H VAL 50 H VAL 50 -11.842 0.390 7.278 412 HA VAL 50 HA VAL 50 -9.139 0.916 6.881 413 HB VAL 50 HB VAL 50 -11.551 2.565 6.125 414 HG11 VAL 50 1HG1 VAL 50 -10.047 3.678 4.502 415 HG12 VAL 50 2HG1 VAL 50 -9.642 4.037 6.182 416 HG13 VAL 50 3HG1 VAL 50 -8.676 2.876 5.269 417 HG21 VAL 50 1HG2 VAL 50 -11.706 1.310 4.264 418 HG22 VAL 50 2HG2 VAL 50 -9.957 1.175 4.084 419 HG23 VAL 50 3HG2 VAL 50 -10.811 0.123 5.212 420 H SER 51 H SER 51 -11.364 2.289 9.141 421 HA SER 51 HA SER 51 -10.069 4.741 9.641 422 HB2 SER 51 1HB SER 51 -11.382 4.838 11.669 423 HB3 SER 51 2HB SER 51 -12.385 4.156 10.389 424 HG SER 51 HG SER 51 -11.263 2.097 11.457 425 H GLU 52 H GLU 52 -9.282 1.508 10.487 426 HA GLU 52 HA GLU 52 -7.310 2.443 12.460 427 HB2 GLU 52 1HB GLU 52 -8.462 -0.314 12.006 428 HB3 GLU 52 2HB GLU 52 -7.197 0.058 13.169 429 HG2 GLU 52 1HG GLU 52 -9.852 1.441 13.246 430 HG3 GLU 52 2HG GLU 52 -9.597 -0.123 14.017 431 H LEU 53 H LEU 53 -7.737 0.715 9.454 432 HA LEU 53 HA LEU 53 -5.171 -0.397 9.210 433 HB2 LEU 53 1HB LEU 53 -7.218 0.463 7.187 434 HB3 LEU 53 2HB LEU 53 -5.681 -0.258 6.714 435 HG LEU 53 HG LEU 53 -7.667 -1.628 8.519 436 HD11 LEU 53 1HD1 LEU 53 -7.689 -2.931 6.088 437 HD12 LEU 53 2HD1 LEU 53 -7.723 -1.225 5.645 438 HD13 LEU 53 3HD1 LEU 53 -8.956 -1.881 6.722 439 HD21 LEU 53 1HD2 LEU 53 -5.319 -2.381 8.640 440 HD22 LEU 53 2HD2 LEU 53 -5.355 -2.699 6.905 441 HD23 LEU 53 3HD2 LEU 53 -6.400 -3.615 7.992 442 H LEU 54 H LEU 54 -3.365 0.762 9.419 443 HA LEU 54 HA LEU 54 -3.204 3.365 8.052 444 HB2 LEU 54 1HB LEU 54 -1.627 2.293 10.387 445 HB3 LEU 54 2HB LEU 54 -1.323 3.839 9.597 446 HG LEU 54 HG LEU 54 -4.013 3.275 10.777 447 HD11 LEU 54 1HD1 LEU 54 -3.083 2.963 12.783 448 HD12 LEU 54 2HD1 LEU 54 -2.712 4.686 12.726 449 HD13 LEU 54 3HD1 LEU 54 -1.496 3.505 12.237 450 HD21 LEU 54 1HD2 LEU 54 -2.798 5.902 11.081 451 HD22 LEU 54 2HD2 LEU 54 -4.366 5.448 10.411 452 HD23 LEU 54 3HD2 LEU 54 -2.923 5.392 9.397 453 H LEU 55 H LEU 55 -2.148 3.291 6.191 454 HA LEU 55 HA LEU 55 -0.211 1.180 5.683 455 HB2 LEU 55 1HB LEU 55 -1.798 3.059 4.053 456 HB3 LEU 55 2HB LEU 55 -0.213 2.628 3.413 457 HG LEU 55 HG LEU 55 -2.136 1.263 2.554 458 HD11 LEU 55 1HD1 LEU 55 -0.060 -0.332 4.042 459 HD12 LEU 55 2HD1 LEU 55 0.252 0.533 2.537 460 HD13 LEU 55 3HD1 LEU 55 -0.917 -0.787 2.568 461 HD21 LEU 55 1HD2 LEU 55 -2.647 0.995 5.339 462 HD22 LEU 55 2HD2 LEU 55 -2.289 -0.602 4.682 463 HD23 LEU 55 3HD2 LEU 55 -3.582 0.372 3.980 464 H SER 56 H SER 56 1.946 1.477 5.348 465 HA SER 56 HA SER 56 3.037 4.182 5.335 466 HB2 SER 56 1HB SER 56 4.756 3.359 7.094 467 HB3 SER 56 2HB SER 56 3.158 3.852 7.654 468 HG SER 56 HG SER 56 4.362 1.463 7.877 469 H TYR 57 H TYR 57 4.428 4.279 3.714 470 HA TYR 57 HA TYR 57 5.680 1.824 2.742 471 HB2 TYR 57 1HB TYR 57 5.873 2.840 0.681 472 HB3 TYR 57 2HB TYR 57 4.447 3.660 1.307 473 HD1 TYR 57 1HD TYR 57 4.885 5.908 2.559 474 HD2 TYR 57 2HD TYR 57 7.649 4.099 -0.123 475 HE1 TYR 57 1HE TYR 57 5.988 8.083 2.238 476 HE2 TYR 57 2HE TYR 57 8.761 6.268 -0.450 477 HH TYR 57 HH TYR 57 8.231 8.657 -0.243 478 H GLU 58 H GLU 58 7.867 1.509 2.631 479 HA GLU 58 HA GLU 58 9.499 3.388 4.190 480 HB2 GLU 58 1HB GLU 58 9.252 0.866 4.768 481 HB3 GLU 58 2HB GLU 58 10.365 0.617 3.430 482 HG2 GLU 58 1HG GLU 58 12.081 1.829 4.505 483 HG3 GLU 58 2HG GLU 58 10.972 2.458 5.722 484 H SER 59 H SER 59 10.406 4.840 2.865 485 HA SER 59 HA SER 59 10.940 4.676 0.192 486 HB2 SER 59 1HB SER 59 12.567 6.469 0.503 487 HB3 SER 59 2HB SER 59 11.169 6.739 1.543 488 HG SER 59 HG SER 59 13.451 5.379 2.491 489 H SER 60 H SER 60 12.190 3.432 -1.020 490 HA SER 60 HA SER 60 13.873 1.447 -0.040 491 HB2 SER 60 1HB SER 60 13.592 2.741 -2.740 492 HB3 SER 60 2HB SER 60 14.826 1.513 -2.457 493 HG SER 60 HG SER 60 12.780 0.396 -1.483 494 H LYS 61 H LYS 61 14.650 4.692 -1.219 495 HA LYS 61 HA LYS 61 17.451 4.460 -1.074 496 HB2 LYS 61 1HB LYS 61 17.492 6.885 -1.182 497 HB3 LYS 61 2HB LYS 61 16.281 6.260 -2.294 498 HG2 LYS 61 1HG LYS 61 14.515 6.825 -0.738 499 HG3 LYS 61 2HG LYS 61 15.705 7.373 0.445 500 HD2 LYS 61 1HD LYS 61 16.486 8.966 -1.444 501 HD3 LYS 61 2HD LYS 61 14.910 8.622 -2.160 502 HE2 LYS 61 1HE LYS 61 13.955 9.244 0.141 503 HE3 LYS 61 2HE LYS 61 15.539 9.950 0.457 504 HZ1 LYS 61 1HZ LYS 61 13.777 10.675 -1.821 505 HZ2 LYS 61 2HZ LYS 61 15.264 11.388 -1.443 506 HZ3 LYS 61 3HZ LYS 61 13.946 11.576 -0.399 507 H MET 62 H MET 62 15.054 5.577 1.284 508 HA MET 62 HA MET 62 17.167 5.527 3.337 509 HB2 MET 62 1HB MET 62 15.905 7.732 2.764 510 HB3 MET 62 2HB MET 62 14.584 7.015 3.676 511 HG2 MET 62 1HG MET 62 15.759 7.063 5.669 512 HG3 MET 62 2HG MET 62 17.320 7.182 4.859 513 HE1 MET 62 1HE MET 62 17.646 9.905 6.840 514 HE2 MET 62 2HE MET 62 15.939 10.133 7.223 515 HE3 MET 62 3HE MET 62 16.635 8.511 7.226 516 HA PRO 63 HA PRO 63 14.328 2.041 4.344 517 HB2 PRO 63 1HB PRO 63 16.303 0.417 5.256 518 HB3 PRO 63 2HB PRO 63 15.870 0.536 3.547 519 HG2 PRO 63 1HG PRO 63 18.115 1.851 5.028 520 HG3 PRO 63 2HG PRO 63 18.129 1.079 3.432 521 HD2 PRO 63 1HD PRO 63 17.999 3.765 3.750 522 HD3 PRO 63 2HD PRO 63 17.223 2.926 2.391 523 H GLY 64 H GLY 64 13.595 1.368 6.358 524 HA2 GLY 64 1HA GLY 64 13.705 1.139 8.711 525 HA3 GLY 64 2HA GLY 64 15.046 2.275 8.734 526 H ARG 65 H ARG 65 13.784 4.284 7.121 527 HA ARG 65 HA ARG 65 12.043 5.418 9.169 528 HB2 ARG 65 1HB ARG 65 14.071 6.590 7.991 529 HB3 ARG 65 2HB ARG 65 12.905 6.895 6.710 530 HG2 ARG 65 1HG ARG 65 11.428 7.955 8.438 531 HG3 ARG 65 2HG ARG 65 12.779 7.824 9.566 532 HD2 ARG 65 1HD ARG 65 14.159 9.187 8.096 533 HD3 ARG 65 2HD ARG 65 12.845 9.279 6.924 534 HE ARG 65 HE ARG 65 11.864 10.242 9.338 535 HH11 ARG 65 2HH1 ARG 65 14.301 11.086 7.000 536 HH12 ARG 65 1HH1 ARG 65 14.205 12.786 7.320 537 HH21 ARG 65 2HH2 ARG 65 11.728 12.478 9.769 538 HH22 ARG 65 1HH2 ARG 65 12.742 13.577 8.896 539 H GLU 66 H GLU 66 10.124 4.280 8.786 540 HA GLU 66 HA GLU 66 8.914 4.268 6.174 541 HB2 GLU 66 1HB GLU 66 7.022 3.173 7.296 542 HB3 GLU 66 2HB GLU 66 8.548 2.396 7.692 543 HG2 GLU 66 1HG GLU 66 8.495 3.948 9.773 544 HG3 GLU 66 2HG GLU 66 6.774 4.064 9.412 545 H ILE 67 H ILE 67 7.124 5.421 5.491 546 HA ILE 67 HA ILE 67 6.565 7.857 7.038 547 HB ILE 67 HB ILE 67 6.132 7.299 4.101 548 HG12 ILE 67 1HG1 ILE 67 7.854 9.319 4.101 549 HG13 ILE 67 2HG1 ILE 67 8.277 8.655 5.675 550 HG21 ILE 67 1HG2 ILE 67 4.961 9.250 5.830 551 HG22 ILE 67 2HG2 ILE 67 6.007 10.055 4.662 552 HG23 ILE 67 3HG2 ILE 67 4.708 9.001 4.103 553 HD11 ILE 67 1HD1 ILE 67 8.401 6.408 4.323 554 HD12 ILE 67 2HD1 ILE 67 8.653 7.507 2.966 555 HD13 ILE 67 3HD1 ILE 67 9.750 7.543 4.346 556 H GLU 68 H GLU 68 4.705 7.947 8.092 557 HA GLU 68 HA GLU 68 2.623 6.025 7.633 558 HB2 GLU 68 1HB GLU 68 1.457 7.186 9.469 559 HB3 GLU 68 2HB GLU 68 3.108 6.761 9.897 560 HG2 GLU 68 1HG GLU 68 3.778 9.095 9.344 561 HG3 GLU 68 2HG GLU 68 2.071 9.477 9.127 562 H LEU 69 H LEU 69 1.123 6.201 6.118 563 HA LEU 69 HA LEU 69 0.589 8.762 4.865 564 HB2 LEU 69 1HB LEU 69 -0.766 6.159 4.234 565 HB3 LEU 69 2HB LEU 69 -0.546 7.561 3.189 566 HG LEU 69 HG LEU 69 1.687 5.758 4.117 567 HD11 LEU 69 1HD1 LEU 69 1.630 5.071 1.658 568 HD12 LEU 69 2HD1 LEU 69 -0.003 5.736 1.638 569 HD13 LEU 69 3HD1 LEU 69 0.392 4.401 2.721 570 HD21 LEU 69 1HD2 LEU 69 2.083 8.225 3.429 571 HD22 LEU 69 2HD2 LEU 69 1.763 7.644 1.795 572 HD23 LEU 69 3HD2 LEU 69 3.096 6.962 2.729 573 H GLU 70 H GLU 70 -0.504 9.898 6.488 574 HA GLU 70 HA GLU 70 -2.883 8.820 7.697 575 HB2 GLU 70 1HB GLU 70 -3.095 11.053 8.726 576 HB3 GLU 70 2HB GLU 70 -1.498 10.357 8.966 577 HG2 GLU 70 1HG GLU 70 -0.703 11.724 7.032 578 HG3 GLU 70 2HG GLU 70 -2.275 12.521 7.030 579 H ASN 71 H ASN 71 -2.127 11.168 5.168 580 HA ASN 71 HA ASN 71 -4.791 12.024 4.731 581 HB2 ASN 71 1HB ASN 71 -2.200 12.270 3.287 582 HB3 ASN 71 2HB ASN 71 -3.671 12.554 2.361 583 HD21 ASN 71 1HD2 ASN 71 -4.643 14.466 2.519 584 HD22 ASN 71 2HD2 ASN 71 -4.218 15.709 3.642 585 H ASP 72 H ASP 72 -6.278 10.470 4.360 586 HA ASP 72 HA ASP 72 -5.764 8.202 2.682 587 HB2 ASP 72 1HB ASP 72 -8.112 9.244 4.208 588 HB3 ASP 72 2HB ASP 72 -8.393 8.054 2.940 589 H LEU 73 H LEU 73 -7.110 11.376 2.254 590 HA LEU 73 HA LEU 73 -8.247 10.739 -0.339 591 HB2 LEU 73 1HB LEU 73 -8.059 13.268 1.275 592 HB3 LEU 73 2HB LEU 73 -8.693 13.237 -0.369 593 HG LEU 73 HG LEU 73 -9.857 11.718 1.964 594 HD11 LEU 73 1HD1 LEU 73 -11.741 13.502 1.277 595 HD12 LEU 73 2HD1 LEU 73 -10.293 14.443 0.924 596 HD13 LEU 73 3HD1 LEU 73 -10.545 13.787 2.541 597 HD21 LEU 73 1HD2 LEU 73 -11.733 11.316 0.464 598 HD22 LEU 73 2HD2 LEU 73 -10.242 10.652 -0.204 599 HD23 LEU 73 3HD2 LEU 73 -10.894 12.166 -0.834 600 H GLN 74 H GLN 74 -5.405 10.361 -0.002 601 HA GLN 74 HA GLN 74 -4.485 12.172 -2.119 602 HB2 GLN 74 1HB GLN 74 -3.010 11.502 0.427 603 HB3 GLN 74 2HB GLN 74 -2.222 12.188 -0.988 604 HG2 GLN 74 1HG GLN 74 -4.578 13.527 0.286 605 HG3 GLN 74 2HG GLN 74 -2.940 13.767 0.891 606 HE21 GLN 74 1HE2 GLN 74 -2.863 15.921 0.355 607 HE22 GLN 74 2HE2 GLN 74 -2.786 16.481 -1.278 608 HA PRO 75 HA PRO 75 -3.273 8.391 -4.036 609 HB2 PRO 75 1HB PRO 75 -1.608 9.424 -5.915 610 HB3 PRO 75 2HB PRO 75 -3.368 9.550 -6.017 611 HG2 PRO 75 1HG PRO 75 -1.375 11.577 -5.079 612 HG3 PRO 75 2HG PRO 75 -2.794 11.801 -6.119 613 HD2 PRO 75 1HD PRO 75 -2.806 12.425 -3.484 614 HD3 PRO 75 2HD PRO 75 -4.252 11.843 -4.334 615 H LEU 76 H LEU 76 -1.526 6.967 -4.152 616 HA LEU 76 HA LEU 76 0.397 7.103 -2.157 617 HB2 LEU 76 1HB LEU 76 0.265 5.510 -4.700 618 HB3 LEU 76 2HB LEU 76 1.579 5.317 -3.541 619 HG LEU 76 HG LEU 76 -0.190 3.594 -3.342 620 HD11 LEU 76 1HD1 LEU 76 0.321 5.451 -1.036 621 HD12 LEU 76 2HD1 LEU 76 1.130 3.932 -1.422 622 HD13 LEU 76 3HD1 LEU 76 -0.540 3.922 -0.856 623 HD21 LEU 76 1HD2 LEU 76 -2.345 4.220 -2.362 624 HD22 LEU 76 2HD2 LEU 76 -2.112 4.960 -3.946 625 HD23 LEU 76 3HD2 LEU 76 -1.903 5.924 -2.483 626 H GLN 77 H GLN 77 0.469 8.319 -5.423 627 HA GLN 77 HA GLN 77 3.249 8.677 -5.687 628 HB2 GLN 77 1HB GLN 77 2.752 10.079 -7.547 629 HB3 GLN 77 2HB GLN 77 1.539 8.805 -7.532 630 HG2 GLN 77 1HG GLN 77 0.176 10.571 -7.884 631 HG3 GLN 77 2HG GLN 77 0.208 10.612 -6.122 632 HE21 GLN 77 1HE2 GLN 77 -0.184 12.787 -5.962 633 HE22 GLN 77 2HE2 GLN 77 0.962 13.990 -6.433 634 H PHE 78 H PHE 78 0.751 10.597 -4.163 635 HA PHE 78 HA PHE 78 2.024 13.042 -3.913 636 HB2 PHE 78 1HB PHE 78 -0.242 12.898 -3.227 637 HB3 PHE 78 2HB PHE 78 0.106 11.603 -2.086 638 HD1 PHE 78 2HD PHE 78 0.925 15.173 -2.756 639 HD2 PHE 78 1HD PHE 78 0.387 12.106 0.146 640 HE1 PHE 78 2HE PHE 78 1.182 16.833 -0.959 641 HE2 PHE 78 1HE PHE 78 0.641 13.762 1.948 642 HZ PHE 78 HZ PHE 78 1.041 16.129 1.397 643 H TYR 79 H TYR 79 2.459 10.095 -2.050 644 HA TYR 79 HA TYR 79 4.293 11.386 -0.205 645 HB2 TYR 79 1HB TYR 79 3.255 8.566 -0.461 646 HB3 TYR 79 2HB TYR 79 4.516 9.003 0.686 647 HD1 TYR 79 1HD TYR 79 0.969 9.435 -0.189 648 HD2 TYR 79 2HD TYR 79 4.005 10.244 2.679 649 HE1 TYR 79 1HE TYR 79 -0.752 10.119 1.430 650 HE2 TYR 79 2HE TYR 79 2.293 10.930 4.307 651 HH TYR 79 HH TYR 79 -1.139 10.568 3.626 652 H SER 80 H SER 80 4.764 10.925 -3.204 653 HA SER 80 HA SER 80 6.515 10.459 -4.580 654 HB2 SER 80 1HB SER 80 7.859 10.889 -1.934 655 HB3 SER 80 2HB SER 80 8.812 10.351 -3.317 656 HG SER 80 HG SER 80 7.154 12.655 -3.266 657 H VAL 81 H VAL 81 5.003 8.263 -3.823 658 HA VAL 81 HA VAL 81 6.843 6.115 -3.143 659 HB VAL 81 HB VAL 81 3.881 6.064 -3.733 660 HG11 VAL 81 1HG1 VAL 81 4.220 3.888 -4.131 661 HG12 VAL 81 2HG1 VAL 81 5.856 3.927 -3.469 662 HG13 VAL 81 3HG1 VAL 81 4.470 3.752 -2.391 663 HG21 VAL 81 1HG2 VAL 81 5.295 6.859 -1.442 664 HG22 VAL 81 2HG2 VAL 81 3.562 6.568 -1.591 665 HG23 VAL 81 3HG2 VAL 81 4.634 5.264 -1.082 666 H GLU 82 H GLU 82 7.631 4.625 -4.531 667 HA GLU 82 HA GLU 82 6.620 4.584 -7.283 668 HB2 GLU 82 1HB GLU 82 8.939 4.549 -8.150 669 HB3 GLU 82 2HB GLU 82 8.531 6.066 -7.360 670 HG2 GLU 82 1HG GLU 82 9.672 5.215 -5.311 671 HG3 GLU 82 2HG GLU 82 10.215 3.832 -6.260 672 H ASN 83 H ASN 83 7.372 2.677 -8.504 673 HA ASN 83 HA ASN 83 6.846 0.300 -7.216 674 HB2 ASN 83 1HB ASN 83 7.843 -0.821 -9.181 675 HB3 ASN 83 2HB ASN 83 6.786 0.509 -9.645 676 HD21 ASN 83 1HD2 ASN 83 7.773 2.516 -10.266 677 HD22 ASN 83 2HD2 ASN 83 9.351 2.515 -10.969 678 H GLY 84 H GLY 84 8.091 -1.395 -6.403 679 HA2 GLY 84 1HA GLY 84 10.193 -2.432 -5.897 680 HA3 GLY 84 2HA GLY 84 10.955 -0.851 -6.001 681 H ASP 85 H ASP 85 9.123 0.584 -4.393 682 HA ASP 85 HA ASP 85 10.215 0.265 -1.869 683 HB2 ASP 85 1HB ASP 85 8.854 2.230 -2.843 684 HB3 ASP 85 2HB ASP 85 7.438 1.354 -2.269 685 H CYS 86 H CYS 86 8.695 -0.059 0.147 686 HA CYS 86 HA CYS 86 7.309 -2.632 -0.227 687 HB2 CYS 86 1HB CYS 86 9.178 -1.670 1.902 688 HB3 CYS 86 2HB CYS 86 7.930 -2.836 2.327 689 HG CYS 86 HG CYS 86 8.801 -4.795 0.564 690 H LEU 87 H LEU 87 5.341 -2.938 0.737 691 HA LEU 87 HA LEU 87 4.073 -0.524 1.815 692 HB2 LEU 87 1HB LEU 87 2.994 -3.017 0.537 693 HB3 LEU 87 2HB LEU 87 1.955 -1.903 1.423 694 HG LEU 87 HG LEU 87 3.582 -1.194 -1.018 695 HD11 LEU 87 1HD1 LEU 87 1.597 -2.796 -1.282 696 HD12 LEU 87 2HD1 LEU 87 1.640 -1.353 -2.295 697 HD13 LEU 87 3HD1 LEU 87 0.595 -1.402 -0.875 698 HD21 LEU 87 1HD2 LEU 87 3.298 0.744 0.330 699 HD22 LEU 87 2HD2 LEU 87 1.609 0.351 0.652 700 HD23 LEU 87 3HD2 LEU 87 2.108 0.838 -0.969 701 H LEU 88 H LEU 88 3.896 -0.377 3.943 702 HA LEU 88 HA LEU 88 3.854 -2.834 5.546 703 HB2 LEU 88 1HB LEU 88 4.261 -0.017 6.521 704 HB3 LEU 88 2HB LEU 88 4.575 -1.514 7.397 705 HG LEU 88 HG LEU 88 6.098 -0.907 4.895 706 HD11 LEU 88 1HD1 LEU 88 7.416 0.657 5.813 707 HD12 LEU 88 2HD1 LEU 88 7.371 -0.094 7.408 708 HD13 LEU 88 3HD1 LEU 88 6.043 0.941 6.884 709 HD21 LEU 88 1HD2 LEU 88 6.288 -3.121 5.903 710 HD22 LEU 88 2HD2 LEU 88 6.760 -2.390 7.438 711 HD23 LEU 88 3HD2 LEU 88 7.808 -2.234 6.027 712 H VAL 89 H VAL 89 1.956 -3.518 6.257 713 HA VAL 89 HA VAL 89 -0.247 -1.592 6.520 714 HB VAL 89 HB VAL 89 -0.326 -4.608 6.346 715 HG11 VAL 89 1HG1 VAL 89 -2.837 -3.305 5.871 716 HG12 VAL 89 2HG1 VAL 89 -2.431 -4.551 7.053 717 HG13 VAL 89 3HG1 VAL 89 -2.209 -2.847 7.454 718 HG21 VAL 89 1HG2 VAL 89 -1.512 -4.071 4.170 719 HG22 VAL 89 2HG2 VAL 89 -0.913 -2.424 4.362 720 HG23 VAL 89 3HG2 VAL 89 0.224 -3.763 4.210 721 H ARG 90 H ARG 90 -0.256 -0.771 8.529 722 HA ARG 90 HA ARG 90 -0.273 -2.681 10.770 723 HB2 ARG 90 1HB ARG 90 1.860 -1.472 10.747 724 HB3 ARG 90 2HB ARG 90 0.999 0.062 10.741 725 HG2 ARG 90 1HG ARG 90 0.055 -0.476 12.943 726 HG3 ARG 90 2HG ARG 90 0.967 -1.986 12.948 727 HD2 ARG 90 1HD ARG 90 3.057 -0.669 12.753 728 HD3 ARG 90 2HD ARG 90 2.101 0.807 12.878 729 HE ARG 90 HE ARG 90 2.854 -0.952 15.015 730 HH11 ARG 90 2HH1 ARG 90 0.503 1.380 13.939 731 HH12 ARG 90 1HH1 ARG 90 0.017 1.824 15.542 732 HH21 ARG 90 2HH2 ARG 90 2.223 -0.375 17.130 733 HH22 ARG 90 1HH2 ARG 90 0.997 0.826 17.356 734 H TRP 91 H TRP 91 -1.867 -2.431 12.242 735 HA TRP 91 HA TRP 91 -3.548 -0.024 12.057 736 HB2 TRP 91 1HB TRP 91 -5.548 -1.442 12.367 737 HB3 TRP 91 2HB TRP 91 -4.695 -1.816 10.872 738 HD1 TRP 91 HD TRP 91 -5.440 -3.280 14.337 739 HE1 TRP 91 1HE TRP 91 -4.971 -5.810 14.273 740 HE3 TRP 91 3HE TRP 91 -3.346 -3.600 9.684 741 HZ2 TRP 91 2HZ TRP 91 -3.859 -7.692 12.488 742 HZ3 TRP 91 3HZ TRP 91 -2.605 -5.802 8.873 743 HH2 TRP 91 HH TRP 91 -2.857 -7.804 10.248 744 H SER 92 H SER 92 -4.768 0.468 13.980 745 HA SER 92 HA SER 92 -3.407 -0.491 16.401 746 HB2 SER 92 1HB SER 92 -3.286 1.934 15.998 747 HB3 SER 92 2HB SER 92 -5.048 2.019 15.973 748 HG SER 92 HG SER 92 -4.606 2.491 18.025 749 H GLY 93 H GLY 93 -4.662 -0.864 18.328 750 HA2 GLY 93 1HA GLY 93 -7.538 -1.205 18.002 751 HA3 GLY 93 2HA GLY 93 -6.611 -2.675 18.266 752 HA PRO 94 HA PRO 94 -6.377 0.107 22.257 753 HB2 PRO 94 1HB PRO 94 -8.458 1.829 22.525 754 HB3 PRO 94 2HB PRO 94 -6.931 2.280 21.757 755 HG2 PRO 94 1HG PRO 94 -9.520 1.466 20.493 756 HG3 PRO 94 2HG PRO 94 -8.413 2.774 20.034 757 HD2 PRO 94 1HD PRO 94 -8.470 0.393 18.745 758 HD3 PRO 94 2HD PRO 94 -6.982 1.344 18.929 759 H SER 95 H SER 95 -7.541 -0.165 24.258 760 HA SER 95 HA SER 95 -9.696 -2.150 24.021 761 HB2 SER 95 1HB SER 95 -7.501 -2.695 25.240 762 HB3 SER 95 2HB SER 95 -8.077 -1.614 26.508 763 HG SER 95 HG SER 95 -9.347 -3.965 25.552 764 H SER 96 H SER 96 -11.605 -1.131 24.096 765 HA SER 96 HA SER 96 -12.038 1.243 25.643 766 HB2 SER 96 1HB SER 96 -13.208 0.542 23.447 767 HB3 SER 96 2HB SER 96 -14.230 -0.461 24.476 768 HG SER 96 HG SER 96 -13.884 2.181 25.259 769 H GLY 97 H GLY 97 -13.302 1.496 27.488 770 HA2 GLY 97 1HA GLY 97 -14.587 -0.714 28.777 771 HA3 GLY 97 2HA GLY 97 -13.047 -0.325 29.528 Start of MODEL 18 1 H1 GLY 1 H GLY 1 7.656 19.608 -21.720 2 HA2 GLY 1 1HA GLY 1 5.447 18.296 -22.465 3 HA3 GLY 1 2HA GLY 1 6.768 17.459 -21.662 4 H SER 2 H SER 2 4.337 16.385 -21.387 5 HA SER 2 HA SER 2 3.661 17.006 -18.593 6 HB2 SER 2 1HB SER 2 1.806 16.695 -20.933 7 HB3 SER 2 2HB SER 2 1.260 16.266 -19.311 8 HG SER 2 HG SER 2 2.097 18.470 -18.757 9 H SER 3 H SER 3 2.504 15.190 -17.510 10 HA SER 3 HA SER 3 3.974 12.811 -17.730 11 HB2 SER 3 1HB SER 3 1.513 13.632 -16.237 12 HB3 SER 3 2HB SER 3 1.944 11.923 -16.294 13 HG SER 3 HG SER 3 4.159 12.946 -15.687 14 H GLY 4 H GLY 4 0.612 13.523 -18.674 15 HA2 GLY 4 1HA GLY 4 -0.780 12.506 -20.188 16 HA3 GLY 4 2HA GLY 4 0.681 12.005 -21.025 17 H SER 5 H SER 5 -0.310 11.110 -17.755 18 HA SER 5 HA SER 5 -0.900 8.393 -18.676 19 HB2 SER 5 1HB SER 5 1.088 9.074 -16.497 20 HB3 SER 5 2HB SER 5 0.491 7.450 -16.837 21 HG SER 5 HG SER 5 2.550 8.080 -17.846 22 H SER 6 H SER 6 -2.711 7.660 -17.791 23 HA SER 6 HA SER 6 -4.196 9.163 -15.924 24 HB2 SER 6 1HB SER 6 -5.669 7.105 -15.849 25 HB3 SER 6 2HB SER 6 -5.385 7.765 -17.460 26 HG SER 6 HG SER 6 -4.507 5.941 -17.988 27 H GLY 7 H GLY 7 -2.396 6.112 -15.587 28 HA2 GLY 7 1HA GLY 7 -1.432 6.622 -13.028 29 HA3 GLY 7 2HA GLY 7 -2.957 5.771 -12.830 30 H GLN 8 H GLN 8 0.346 5.429 -13.254 31 HA GLN 8 HA GLN 8 0.221 2.813 -14.507 32 HB2 GLN 8 1HB GLN 8 2.665 2.843 -14.333 33 HB3 GLN 8 2HB GLN 8 2.061 4.313 -15.088 34 HG2 GLN 8 1HG GLN 8 2.533 5.614 -13.217 35 HG3 GLN 8 2HG GLN 8 2.651 4.211 -12.156 36 HE21 GLN 8 1HE2 GLN 8 4.591 6.179 -12.232 37 HE22 GLN 8 2HE2 GLN 8 6.044 5.515 -12.889 38 H LEU 9 H LEU 9 0.469 0.881 -13.502 39 HA LEU 9 HA LEU 9 -0.006 0.767 -10.687 40 HB2 LEU 9 1HB LEU 9 0.269 -1.181 -12.903 41 HB3 LEU 9 2HB LEU 9 0.552 -1.775 -11.268 42 HG LEU 9 HG LEU 9 -1.797 -0.548 -10.879 43 HD11 LEU 9 1HD1 LEU 9 -1.542 -0.926 -13.784 44 HD12 LEU 9 2HD1 LEU 9 -2.572 0.170 -12.864 45 HD13 LEU 9 3HD1 LEU 9 -3.042 -1.517 -13.069 46 HD21 LEU 9 1HD2 LEU 9 -2.839 -2.753 -11.138 47 HD22 LEU 9 2HD2 LEU 9 -1.285 -2.854 -10.310 48 HD23 LEU 9 3HD2 LEU 9 -1.413 -3.319 -12.007 49 H LEU 10 H LEU 10 1.392 0.503 -9.056 50 HA LEU 10 HA LEU 10 4.238 0.255 -9.733 51 HB2 LEU 10 1HB LEU 10 3.339 0.941 -6.989 52 HB3 LEU 10 2HB LEU 10 4.747 1.501 -7.890 53 HG LEU 10 HG LEU 10 1.903 2.461 -8.177 54 HD11 LEU 10 1HD1 LEU 10 4.272 4.156 -7.531 55 HD12 LEU 10 2HD1 LEU 10 3.501 3.209 -6.259 56 HD13 LEU 10 3HD1 LEU 10 2.568 4.410 -7.152 57 HD21 LEU 10 1HD2 LEU 10 3.364 2.238 -10.313 58 HD22 LEU 10 2HD2 LEU 10 4.233 3.621 -9.649 59 HD23 LEU 10 3HD2 LEU 10 2.508 3.748 -9.999 60 H THR 11 H THR 11 5.578 -1.206 -8.649 61 HA THR 11 HA THR 11 4.168 -3.541 -7.585 62 HB THR 11 HB THR 11 7.088 -3.350 -8.335 63 HG1 THR 11 1HG THR 11 4.829 -4.122 -9.893 64 HG21 THR 11 1HG2 THR 11 7.040 -5.321 -7.226 65 HG22 THR 11 2HG2 THR 11 6.342 -5.919 -8.731 66 HG23 THR 11 3HG2 THR 11 5.292 -5.486 -7.383 67 H LEU 12 H LEU 12 3.962 -3.647 -5.452 68 HA LEU 12 HA LEU 12 6.256 -2.877 -3.781 69 HB2 LEU 12 1HB LEU 12 3.421 -2.448 -2.903 70 HB3 LEU 12 2HB LEU 12 4.900 -1.785 -2.211 71 HG LEU 12 HG LEU 12 4.161 -0.996 -4.986 72 HD11 LEU 12 1HD1 LEU 12 2.055 -0.766 -3.816 73 HD12 LEU 12 2HD1 LEU 12 2.760 0.824 -4.107 74 HD13 LEU 12 3HD1 LEU 12 2.850 0.101 -2.502 75 HD21 LEU 12 1HD2 LEU 12 4.988 1.076 -3.167 76 HD22 LEU 12 2HD2 LEU 12 5.759 0.510 -4.650 77 HD23 LEU 12 3HD2 LEU 12 6.110 -0.284 -3.114 78 H LYS 13 H LYS 13 6.264 -3.901 -1.648 79 HA LYS 13 HA LYS 13 5.085 -6.592 -1.779 80 HB2 LYS 13 1HB LYS 13 7.432 -5.632 -0.132 81 HB3 LYS 13 2HB LYS 13 6.865 -7.291 -0.265 82 HG2 LYS 13 1HG LYS 13 8.043 -5.626 -2.480 83 HG3 LYS 13 2HG LYS 13 8.832 -6.956 -1.629 84 HD2 LYS 13 1HD LYS 13 6.302 -7.218 -3.253 85 HD3 LYS 13 2HD LYS 13 7.920 -7.601 -3.846 86 HE2 LYS 13 1HE LYS 13 7.308 -9.678 -3.156 87 HE3 LYS 13 2HE LYS 13 7.953 -9.073 -1.631 88 HZ1 LYS 13 1HZ LYS 13 5.901 -9.983 -1.077 89 HZ2 LYS 13 2HZ LYS 13 5.128 -9.359 -2.446 90 HZ3 LYS 13 3HZ LYS 13 5.573 -8.326 -1.183 91 H ILE 14 H ILE 14 3.357 -6.898 -0.552 92 HA ILE 14 HA ILE 14 2.769 -5.130 1.661 93 HB ILE 14 HB ILE 14 1.256 -7.429 0.434 94 HG12 ILE 14 1HG1 ILE 14 -0.388 -5.410 0.130 95 HG13 ILE 14 2HG1 ILE 14 1.059 -4.437 0.375 96 HG21 ILE 14 1HG2 ILE 14 0.935 -6.171 3.050 97 HG22 ILE 14 2HG2 ILE 14 -0.531 -6.159 2.071 98 HG23 ILE 14 3HG2 ILE 14 0.277 -7.685 2.430 99 HD11 ILE 14 1HD1 ILE 14 0.174 -5.417 -2.016 100 HD12 ILE 14 2HD1 ILE 14 1.812 -4.857 -1.676 101 HD13 ILE 14 3HD1 ILE 14 1.425 -6.574 -1.566 102 H LYS 15 H LYS 15 3.388 -5.490 3.677 103 HA LYS 15 HA LYS 15 3.647 -8.257 4.623 104 HB2 LYS 15 1HB LYS 15 5.903 -7.618 4.153 105 HB3 LYS 15 2HB LYS 15 5.685 -6.052 4.924 106 HG2 LYS 15 1HG LYS 15 5.328 -7.274 7.085 107 HG3 LYS 15 2HG LYS 15 5.819 -8.748 6.248 108 HD2 LYS 15 1HD LYS 15 7.954 -7.597 5.642 109 HD3 LYS 15 2HD LYS 15 7.460 -6.253 6.674 110 HE2 LYS 15 1HE LYS 15 8.707 -7.437 8.172 111 HE3 LYS 15 2HE LYS 15 7.141 -8.201 8.436 112 HZ1 LYS 15 1HZ LYS 15 8.966 -9.806 8.190 113 HZ2 LYS 15 2HZ LYS 15 9.242 -9.248 6.617 114 HZ3 LYS 15 3HZ LYS 15 7.777 -10.001 7.002 115 H CYS 16 H CYS 16 2.145 -8.434 6.153 116 HA CYS 16 HA CYS 16 1.090 -6.256 7.615 117 HB2 CYS 16 1HB CYS 16 0.871 -9.243 7.881 118 HB3 CYS 16 2HB CYS 16 0.144 -8.175 9.075 119 HG CYS 16 HG CYS 16 -0.765 -8.727 5.864 120 H SER 17 H SER 17 1.606 -5.408 9.552 121 HA SER 17 HA SER 17 4.149 -6.101 10.703 122 HB2 SER 17 1HB SER 17 3.648 -3.778 10.664 123 HB3 SER 17 2HB SER 17 2.058 -4.032 11.383 124 HG SER 17 HG SER 17 4.569 -3.954 12.582 125 H ASN 18 H ASN 18 4.564 -7.188 12.550 126 HA ASN 18 HA ASN 18 4.253 -8.580 14.321 127 HB2 ASN 18 1HB ASN 18 1.713 -6.963 14.624 128 HB3 ASN 18 2HB ASN 18 2.335 -8.084 15.831 129 HD21 ASN 18 1HD2 ASN 18 1.857 -5.295 16.168 130 HD22 ASN 18 2HD2 ASN 18 3.373 -4.555 16.541 131 H GLN 19 H GLN 19 3.154 -9.230 11.624 132 HA GLN 19 HA GLN 19 1.261 -11.316 12.485 133 HB2 GLN 19 1HB GLN 19 1.204 -9.568 10.041 134 HB3 GLN 19 2HB GLN 19 0.411 -11.138 10.047 135 HG2 GLN 19 1HG GLN 19 -0.165 -9.131 12.186 136 HG3 GLN 19 2HG GLN 19 -0.959 -9.034 10.615 137 HE21 GLN 19 1HE2 GLN 19 -2.759 -10.149 10.353 138 HE22 GLN 19 2HE2 GLN 19 -3.306 -11.441 11.361 139 HA PRO 20 HA PRO 20 5.013 -13.298 10.640 140 HB2 PRO 20 1HB PRO 20 5.147 -15.282 12.489 141 HB3 PRO 20 2HB PRO 20 5.888 -13.695 12.728 142 HG2 PRO 20 1HG PRO 20 3.282 -14.744 13.763 143 HG3 PRO 20 2HG PRO 20 4.517 -13.789 14.604 144 HD2 PRO 20 1HD PRO 20 2.253 -12.689 13.608 145 HD3 PRO 20 2HD PRO 20 3.791 -11.806 13.682 146 H GLU 21 H GLU 21 2.196 -14.936 12.089 147 HA GLU 21 HA GLU 21 2.206 -17.333 10.832 148 HB2 GLU 21 1HB GLU 21 -0.158 -15.520 11.323 149 HB3 GLU 21 2HB GLU 21 -0.311 -17.198 10.820 150 HG2 GLU 21 1HG GLU 21 1.026 -16.250 13.345 151 HG3 GLU 21 2HG GLU 21 -0.603 -16.913 13.233 152 H ARG 22 H ARG 22 1.161 -14.263 9.422 153 HA ARG 22 HA ARG 22 0.466 -15.482 6.902 154 HB2 ARG 22 1HB ARG 22 -0.476 -13.300 8.050 155 HB3 ARG 22 2HB ARG 22 0.867 -12.537 7.210 156 HG2 ARG 22 1HG ARG 22 0.027 -13.189 5.091 157 HG3 ARG 22 2HG ARG 22 -1.173 -14.254 5.825 158 HD2 ARG 22 1HD ARG 22 -1.941 -12.017 6.989 159 HD3 ARG 22 2HD ARG 22 -1.145 -11.286 5.597 160 HE ARG 22 HE ARG 22 -2.880 -13.335 4.738 161 HH11 ARG 22 2HH1 ARG 22 -2.927 -10.113 6.056 162 HH12 ARG 22 1HH1 ARG 22 -4.442 -9.696 5.327 163 HH21 ARG 22 2HH2 ARG 22 -4.876 -12.798 3.773 164 HH22 ARG 22 1HH2 ARG 22 -5.550 -11.224 4.029 165 H GLN 23 H GLN 23 1.432 -14.599 4.852 166 HA GLN 23 HA GLN 23 4.347 -14.301 5.161 167 HB2 GLN 23 1HB GLN 23 4.621 -15.503 3.062 168 HB3 GLN 23 2HB GLN 23 3.711 -16.479 4.208 169 HG2 GLN 23 1HG GLN 23 1.648 -15.407 2.994 170 HG3 GLN 23 2HG GLN 23 2.814 -15.174 1.692 171 HE21 GLN 23 1HE2 GLN 23 2.110 -16.641 0.255 172 HE22 GLN 23 2HE2 GLN 23 2.025 -18.341 0.550 173 H ILE 24 H ILE 24 5.405 -13.243 3.250 174 HA ILE 24 HA ILE 24 4.185 -10.715 2.783 175 HB ILE 24 HB ILE 24 6.574 -11.831 1.321 176 HG12 ILE 24 1HG1 ILE 24 6.850 -12.090 3.768 177 HG13 ILE 24 2HG1 ILE 24 7.969 -10.912 3.093 178 HG21 ILE 24 1HG2 ILE 24 5.334 -9.610 0.708 179 HG22 ILE 24 2HG2 ILE 24 6.203 -8.978 2.106 180 HG23 ILE 24 3HG2 ILE 24 7.096 -9.666 0.750 181 HD11 ILE 24 1HD1 ILE 24 5.561 -9.608 3.932 182 HD12 ILE 24 2HD1 ILE 24 6.227 -10.576 5.247 183 HD13 ILE 24 3HD1 ILE 24 7.222 -9.350 4.464 184 H LEU 25 H LEU 25 3.169 -9.911 1.014 185 HA LEU 25 HA LEU 25 2.813 -11.718 -1.284 186 HB2 LEU 25 1HB LEU 25 0.642 -9.828 -0.563 187 HB3 LEU 25 2HB LEU 25 0.553 -11.405 -1.344 188 HG LEU 25 HG LEU 25 1.258 -11.192 1.559 189 HD11 LEU 25 1HD1 LEU 25 -1.088 -11.366 2.140 190 HD12 LEU 25 2HD1 LEU 25 -1.540 -11.260 0.439 191 HD13 LEU 25 3HD1 LEU 25 -0.792 -9.878 1.240 192 HD21 LEU 25 1HD2 LEU 25 -0.253 -13.387 1.272 193 HD22 LEU 25 2HD2 LEU 25 1.495 -13.379 1.037 194 HD23 LEU 25 3HD2 LEU 25 0.417 -13.277 -0.356 195 H GLU 26 H GLU 26 2.350 -10.666 -3.313 196 HA GLU 26 HA GLU 26 3.333 -7.889 -3.408 197 HB2 GLU 26 1HB GLU 26 4.858 -9.693 -4.359 198 HB3 GLU 26 2HB GLU 26 3.652 -9.913 -5.620 199 HG2 GLU 26 1HG GLU 26 4.705 -7.180 -5.103 200 HG3 GLU 26 2HG GLU 26 5.713 -8.337 -5.971 201 H LYS 27 H LYS 27 1.873 -6.477 -4.078 202 HA LYS 27 HA LYS 27 -0.114 -7.318 -6.073 203 HB2 LYS 27 1HB LYS 27 -0.832 -7.056 -3.497 204 HB3 LYS 27 2HB LYS 27 -0.998 -5.380 -4.004 205 HG2 LYS 27 1HG LYS 27 -2.395 -7.773 -5.178 206 HG3 LYS 27 2HG LYS 27 -3.115 -6.479 -4.217 207 HD2 LYS 27 1HD LYS 27 -2.262 -4.907 -6.059 208 HD3 LYS 27 2HD LYS 27 -2.049 -6.370 -7.023 209 HE2 LYS 27 1HE LYS 27 -4.197 -5.394 -7.517 210 HE3 LYS 27 2HE LYS 27 -4.432 -6.913 -6.654 211 HZ1 LYS 27 1HZ LYS 27 -5.764 -5.714 -5.349 212 HZ2 LYS 27 2HZ LYS 27 -5.138 -4.234 -5.876 213 HZ3 LYS 27 3HZ LYS 27 -4.348 -5.101 -4.656 214 H GLN 28 H GLN 28 -0.352 -5.935 -7.721 215 HA GLN 28 HA GLN 28 1.177 -3.454 -7.653 216 HB2 GLN 28 1HB GLN 28 -0.159 -4.960 -9.902 217 HB3 GLN 28 2HB GLN 28 0.634 -3.406 -10.116 218 HG2 GLN 28 1HG GLN 28 2.744 -4.377 -9.364 219 HG3 GLN 28 2HG GLN 28 1.949 -5.936 -9.152 220 HE21 GLN 28 1HE2 GLN 28 2.990 -3.544 -11.478 221 HE22 GLN 28 2HE2 GLN 28 2.982 -4.593 -12.851 222 H LEU 29 H LEU 29 0.288 -1.500 -7.473 223 HA LEU 29 HA LEU 29 -2.591 -1.206 -7.993 224 HB2 LEU 29 1HB LEU 29 -1.049 -0.122 -5.643 225 HB3 LEU 29 2HB LEU 29 -2.694 0.355 -6.058 226 HG LEU 29 HG LEU 29 -2.928 -1.192 -4.317 227 HD11 LEU 29 1HD1 LEU 29 -3.248 -3.211 -6.433 228 HD12 LEU 29 2HD1 LEU 29 -4.058 -1.671 -6.718 229 HD13 LEU 29 3HD1 LEU 29 -4.412 -2.596 -5.259 230 HD21 LEU 29 1HD2 LEU 29 -1.229 -3.240 -5.692 231 HD22 LEU 29 2HD2 LEU 29 -1.697 -3.135 -3.994 232 HD23 LEU 29 3HD2 LEU 29 -0.504 -2.014 -4.652 233 HA PRO 30 HA PRO 30 -1.354 2.225 -10.464 234 HB2 PRO 30 1HB PRO 30 -3.725 3.545 -10.558 235 HB3 PRO 30 2HB PRO 30 -3.418 2.055 -11.459 236 HG2 PRO 30 1HG PRO 30 -4.849 2.434 -8.857 237 HG3 PRO 30 2HG PRO 30 -5.289 1.412 -10.238 238 HD2 PRO 30 1HD PRO 30 -4.102 0.424 -8.014 239 HD3 PRO 30 2HD PRO 30 -3.824 -0.259 -9.628 240 H ASP 31 H ASP 31 -0.237 3.977 -9.904 241 HA ASP 31 HA ASP 31 -0.042 5.091 -7.421 242 HB2 ASP 31 1HB ASP 31 0.859 7.130 -8.555 243 HB3 ASP 31 2HB ASP 31 1.565 5.624 -9.135 244 H SER 32 H SER 32 -2.538 5.602 -9.761 245 HA SER 32 HA SER 32 -3.544 8.058 -8.771 246 HB2 SER 32 1HB SER 32 -4.201 7.393 -10.970 247 HB3 SER 32 2HB SER 32 -4.814 5.845 -10.390 248 HG SER 32 HG SER 32 -5.892 8.267 -9.437 249 H MET 33 H MET 33 -4.203 4.684 -7.995 250 HA MET 33 HA MET 33 -6.471 4.761 -6.527 251 HB2 MET 33 1HB MET 33 -4.864 2.804 -6.898 252 HB3 MET 33 2HB MET 33 -4.020 3.371 -5.463 253 HG2 MET 33 1HG MET 33 -6.066 3.096 -4.154 254 HG3 MET 33 2HG MET 33 -6.902 2.517 -5.593 255 HE1 MET 33 1HE MET 33 -7.688 0.623 -5.289 256 HE2 MET 33 2HE MET 33 -6.683 -0.599 -6.067 257 HE3 MET 33 3HE MET 33 -7.078 -0.742 -4.354 258 H THR 34 H THR 34 -7.166 6.135 -5.037 259 HA THR 34 HA THR 34 -5.454 7.840 -3.551 260 HB THR 34 HB THR 34 -7.520 8.473 -2.304 261 HG1 THR 34 1HG THR 34 -8.458 6.210 -3.647 262 HG21 THR 34 1HG2 THR 34 -8.036 8.372 -5.271 263 HG22 THR 34 2HG2 THR 34 -6.844 9.449 -4.542 264 HG23 THR 34 3HG2 THR 34 -8.549 9.604 -4.118 265 H VAL 35 H VAL 35 -4.572 7.627 -1.582 266 HA VAL 35 HA VAL 35 -3.976 5.356 -0.319 267 HB VAL 35 HB VAL 35 -4.601 8.030 0.900 268 HG11 VAL 35 1HG1 VAL 35 -3.529 7.176 2.987 269 HG12 VAL 35 2HG1 VAL 35 -5.118 6.485 2.652 270 HG13 VAL 35 3HG1 VAL 35 -3.660 5.547 2.325 271 HG21 VAL 35 1HG2 VAL 35 -2.584 7.691 -0.541 272 HG22 VAL 35 2HG2 VAL 35 -2.228 8.228 1.100 273 HG23 VAL 35 3HG2 VAL 35 -1.994 6.538 0.655 274 H GLN 36 H GLN 36 -7.073 6.992 -0.096 275 HA GLN 36 HA GLN 36 -8.146 5.487 2.035 276 HB2 GLN 36 1HB GLN 36 -8.992 7.675 0.841 277 HB3 GLN 36 2HB GLN 36 -9.890 6.536 -0.155 278 HG2 GLN 36 1HG GLN 36 -10.950 5.619 1.841 279 HG3 GLN 36 2HG GLN 36 -10.045 6.752 2.843 280 HE21 GLN 36 1HE2 GLN 36 -11.107 8.498 3.413 281 HE22 GLN 36 2HE2 GLN 36 -12.415 9.228 2.552 282 H LYS 37 H LYS 37 -8.367 5.089 -1.486 283 HA LYS 37 HA LYS 37 -10.072 2.907 -1.582 284 HB2 LYS 37 1HB LYS 37 -7.786 3.732 -3.363 285 HB3 LYS 37 2HB LYS 37 -8.790 2.333 -3.725 286 HG2 LYS 37 1HG LYS 37 -10.131 4.930 -3.189 287 HG3 LYS 37 2HG LYS 37 -9.312 4.703 -4.737 288 HD2 LYS 37 1HD LYS 37 -11.170 2.587 -3.746 289 HD3 LYS 37 2HD LYS 37 -11.840 4.060 -4.451 290 HE2 LYS 37 1HE LYS 37 -10.308 3.642 -6.426 291 HE3 LYS 37 2HE LYS 37 -10.012 2.046 -5.738 292 HZ1 LYS 37 1HZ LYS 37 -11.739 1.721 -7.239 293 HZ2 LYS 37 2HZ LYS 37 -12.537 3.148 -6.804 294 HZ3 LYS 37 3HZ LYS 37 -12.536 1.824 -5.751 295 H VAL 38 H VAL 38 -6.532 2.937 -1.283 296 HA VAL 38 HA VAL 38 -6.020 0.228 -1.368 297 HB VAL 38 HB VAL 38 -4.671 2.308 0.357 298 HG11 VAL 38 1HG1 VAL 38 -2.868 0.819 0.664 299 HG12 VAL 38 2HG1 VAL 38 -4.322 -0.113 1.028 300 HG13 VAL 38 3HG1 VAL 38 -3.505 -0.320 -0.521 301 HG21 VAL 38 1HG2 VAL 38 -3.079 2.514 -1.418 302 HG22 VAL 38 2HG2 VAL 38 -3.826 1.190 -2.312 303 HG23 VAL 38 3HG2 VAL 38 -4.690 2.714 -2.107 304 H LYS 39 H LYS 39 -6.492 2.140 1.610 305 HA LYS 39 HA LYS 39 -6.485 0.128 3.462 306 HB2 LYS 39 1HB LYS 39 -7.836 2.770 3.294 307 HB3 LYS 39 2HB LYS 39 -8.386 1.670 4.551 308 HG2 LYS 39 1HG LYS 39 -6.767 2.758 5.705 309 HG3 LYS 39 2HG LYS 39 -5.785 1.470 5.002 310 HD2 LYS 39 1HD LYS 39 -5.278 3.038 3.101 311 HD3 LYS 39 2HD LYS 39 -6.063 4.312 4.038 312 HE2 LYS 39 1HE LYS 39 -4.391 3.410 5.905 313 HE3 LYS 39 2HE LYS 39 -3.468 2.942 4.478 314 HZ1 LYS 39 1HZ LYS 39 -4.512 5.629 4.388 315 HZ2 LYS 39 2HZ LYS 39 -2.964 5.056 4.018 316 HZ3 LYS 39 3HZ LYS 39 -3.387 5.371 5.625 317 H GLY 40 H GLY 40 -9.168 1.123 1.386 318 HA2 GLY 40 1HA GLY 40 -11.135 -0.535 2.562 319 HA3 GLY 40 2HA GLY 40 -11.196 0.141 0.941 320 H LEU 41 H LEU 41 -8.783 -1.101 -0.001 321 HA LEU 41 HA LEU 41 -9.779 -3.449 -1.076 322 HB2 LEU 41 1HB LEU 41 -7.915 -2.348 -2.083 323 HB3 LEU 41 2HB LEU 41 -6.938 -2.556 -0.631 324 HG LEU 41 HG LEU 41 -7.189 -5.086 -1.106 325 HD11 LEU 41 1HD1 LEU 41 -7.189 -5.009 -3.855 326 HD12 LEU 41 2HD1 LEU 41 -8.493 -3.904 -3.421 327 HD13 LEU 41 3HD1 LEU 41 -8.513 -5.566 -2.833 328 HD21 LEU 41 1HD2 LEU 41 -5.054 -4.140 -1.259 329 HD22 LEU 41 2HD2 LEU 41 -5.489 -3.158 -2.657 330 HD23 LEU 41 3HD2 LEU 41 -5.308 -4.905 -2.828 331 H LEU 42 H LEU 42 -7.263 -3.239 1.449 332 HA LEU 42 HA LEU 42 -7.479 -6.005 2.108 333 HB2 LEU 42 1HB LEU 42 -6.232 -3.789 3.724 334 HB3 LEU 42 2HB LEU 42 -5.933 -5.518 3.896 335 HG LEU 42 HG LEU 42 -5.313 -4.197 1.294 336 HD11 LEU 42 1HD1 LEU 42 -3.028 -3.719 2.163 337 HD12 LEU 42 2HD1 LEU 42 -3.640 -4.008 3.792 338 HD13 LEU 42 3HD1 LEU 42 -4.287 -2.679 2.830 339 HD21 LEU 42 1HD2 LEU 42 -3.308 -5.950 2.033 340 HD22 LEU 42 2HD2 LEU 42 -4.651 -6.295 0.943 341 HD23 LEU 42 3HD2 LEU 42 -4.776 -6.704 2.654 342 H SER 43 H SER 43 -8.698 -3.012 3.534 343 HA SER 43 HA SER 43 -9.627 -3.639 5.948 344 HB2 SER 43 1HB SER 43 -10.281 -1.530 5.191 345 HB3 SER 43 2HB SER 43 -10.996 -2.173 3.713 346 HG SER 43 HG SER 43 -12.110 -3.006 6.122 347 H ARG 44 H ARG 44 -10.867 -4.968 2.952 348 HA ARG 44 HA ARG 44 -13.034 -6.361 4.271 349 HB2 ARG 44 1HB ARG 44 -12.013 -6.443 1.428 350 HB3 ARG 44 2HB ARG 44 -13.409 -7.345 2.000 351 HG2 ARG 44 1HG ARG 44 -13.347 -4.406 2.437 352 HG3 ARG 44 2HG ARG 44 -13.674 -5.019 0.815 353 HD2 ARG 44 1HD ARG 44 -15.798 -4.855 1.711 354 HD3 ARG 44 2HD ARG 44 -15.395 -6.544 2.016 355 HE ARG 44 HE ARG 44 -15.457 -6.112 4.260 356 HH11 ARG 44 2HH1 ARG 44 -15.220 -3.099 2.532 357 HH12 ARG 44 1HH1 ARG 44 -15.448 -2.121 3.944 358 HH21 ARG 44 2HH2 ARG 44 -15.759 -4.836 6.126 359 HH22 ARG 44 1HH2 ARG 44 -15.753 -3.110 5.988 360 H LEU 45 H LEU 45 -10.064 -7.289 2.537 361 HA LEU 45 HA LEU 45 -10.205 -10.029 2.904 362 HB2 LEU 45 1HB LEU 45 -8.545 -9.310 1.457 363 HB3 LEU 45 2HB LEU 45 -7.935 -8.111 2.595 364 HG LEU 45 HG LEU 45 -6.863 -9.826 3.902 365 HD11 LEU 45 1HD1 LEU 45 -8.078 -11.741 3.928 366 HD12 LEU 45 2HD1 LEU 45 -6.911 -12.189 2.684 367 HD13 LEU 45 3HD1 LEU 45 -8.516 -11.621 2.223 368 HD21 LEU 45 1HD2 LEU 45 -5.735 -10.941 1.605 369 HD22 LEU 45 2HD2 LEU 45 -5.176 -9.522 2.489 370 HD23 LEU 45 3HD2 LEU 45 -6.279 -9.334 1.126 371 H LEU 46 H LEU 46 -8.743 -7.586 5.026 372 HA LEU 46 HA LEU 46 -8.294 -9.618 7.075 373 HB2 LEU 46 1HB LEU 46 -7.432 -6.761 6.757 374 HB3 LEU 46 2HB LEU 46 -7.260 -7.614 8.290 375 HG LEU 46 HG LEU 46 -6.090 -8.841 5.840 376 HD11 LEU 46 1HD1 LEU 46 -5.256 -6.660 5.546 377 HD12 LEU 46 2HD1 LEU 46 -3.977 -7.546 6.376 378 HD13 LEU 46 3HD1 LEU 46 -5.008 -6.434 7.277 379 HD21 LEU 46 1HD2 LEU 46 -5.995 -10.108 7.869 380 HD22 LEU 46 2HD2 LEU 46 -5.350 -8.729 8.761 381 HD23 LEU 46 3HD2 LEU 46 -4.373 -9.511 7.517 382 H LYS 47 H LYS 47 -10.813 -7.801 6.134 383 HA LYS 47 HA LYS 47 -12.713 -7.009 7.107 384 HB2 LYS 47 1HB LYS 47 -11.973 -8.830 9.400 385 HB3 LYS 47 2HB LYS 47 -13.582 -8.271 8.963 386 HG2 LYS 47 1HG LYS 47 -13.539 -10.441 8.165 387 HG3 LYS 47 2HG LYS 47 -13.165 -9.482 6.731 388 HD2 LYS 47 1HD LYS 47 -10.879 -10.032 6.830 389 HD3 LYS 47 2HD LYS 47 -11.011 -10.629 8.486 390 HE2 LYS 47 1HE LYS 47 -10.958 -12.608 7.333 391 HE3 LYS 47 2HE LYS 47 -12.696 -12.324 7.398 392 HZ1 LYS 47 1HZ LYS 47 -11.582 -11.059 5.127 393 HZ2 LYS 47 2HZ LYS 47 -12.776 -12.254 5.200 394 HZ3 LYS 47 3HZ LYS 47 -11.144 -12.693 5.142 395 H VAL 48 H VAL 48 -10.393 -5.443 7.526 396 HA VAL 48 HA VAL 48 -10.836 -4.389 10.241 397 HB VAL 48 HB VAL 48 -8.441 -4.055 8.429 398 HG11 VAL 48 1HG1 VAL 48 -9.125 -2.095 9.955 399 HG12 VAL 48 2HG1 VAL 48 -8.596 -3.137 11.278 400 HG13 VAL 48 3HG1 VAL 48 -7.457 -2.665 10.016 401 HG21 VAL 48 1HG2 VAL 48 -8.216 -6.180 9.300 402 HG22 VAL 48 2HG2 VAL 48 -7.376 -5.211 10.511 403 HG23 VAL 48 3HG2 VAL 48 -9.024 -5.762 10.811 404 HA PRO 49 HA PRO 49 -12.704 -0.818 8.449 405 HB2 PRO 49 1HB PRO 49 -12.446 0.862 10.566 406 HB3 PRO 49 2HB PRO 49 -13.624 -0.454 10.522 407 HG2 PRO 49 1HG PRO 49 -10.939 -0.359 11.842 408 HG3 PRO 49 2HG PRO 49 -12.468 -1.010 12.462 409 HD2 PRO 49 1HD PRO 49 -10.523 -2.588 11.433 410 HD3 PRO 49 2HD PRO 49 -12.249 -2.983 11.290 411 H VAL 50 H VAL 50 -11.961 0.744 7.150 412 HA VAL 50 HA VAL 50 -9.289 1.267 6.703 413 HB VAL 50 HB VAL 50 -11.739 2.904 6.098 414 HG11 VAL 50 1HG1 VAL 50 -10.278 4.270 4.609 415 HG12 VAL 50 2HG1 VAL 50 -9.991 4.525 6.332 416 HG13 VAL 50 3HG1 VAL 50 -8.879 3.532 5.389 417 HG21 VAL 50 1HG2 VAL 50 -10.181 0.817 4.772 418 HG22 VAL 50 2HG2 VAL 50 -11.851 1.320 4.516 419 HG23 VAL 50 3HG2 VAL 50 -10.536 2.205 3.744 420 H SER 51 H SER 51 -11.297 2.449 9.213 421 HA SER 51 HA SER 51 -9.879 4.862 9.763 422 HB2 SER 51 1HB SER 51 -11.984 3.254 11.121 423 HB3 SER 51 2HB SER 51 -11.050 4.369 12.118 424 HG SER 51 HG SER 51 -12.186 5.922 11.304 425 H GLU 52 H GLU 52 -9.541 1.521 10.730 426 HA GLU 52 HA GLU 52 -7.469 2.203 12.672 427 HB2 GLU 52 1HB GLU 52 -8.855 -0.383 11.975 428 HB3 GLU 52 2HB GLU 52 -7.478 -0.310 13.065 429 HG2 GLU 52 1HG GLU 52 -8.770 1.274 14.484 430 HG3 GLU 52 2HG GLU 52 -10.163 0.991 13.441 431 H LEU 53 H LEU 53 -7.844 1.034 9.452 432 HA LEU 53 HA LEU 53 -5.324 -0.264 9.205 433 HB2 LEU 53 1HB LEU 53 -7.433 0.686 7.335 434 HB3 LEU 53 2HB LEU 53 -5.838 0.322 6.680 435 HG LEU 53 HG LEU 53 -7.660 -1.593 8.134 436 HD11 LEU 53 1HD1 LEU 53 -7.796 -2.728 5.990 437 HD12 LEU 53 2HD1 LEU 53 -6.761 -1.502 5.258 438 HD13 LEU 53 3HD1 LEU 53 -8.364 -1.064 5.849 439 HD21 LEU 53 1HD2 LEU 53 -4.804 -1.742 7.330 440 HD22 LEU 53 2HD2 LEU 53 -5.800 -3.184 7.130 441 HD23 LEU 53 3HD2 LEU 53 -5.627 -2.444 8.723 442 H LEU 54 H LEU 54 -3.364 0.511 8.631 443 HA LEU 54 HA LEU 54 -3.117 3.271 7.714 444 HB2 LEU 54 1HB LEU 54 -1.484 2.239 10.020 445 HB3 LEU 54 2HB LEU 54 -1.510 3.876 9.368 446 HG LEU 54 HG LEU 54 -3.963 2.674 10.604 447 HD11 LEU 54 1HD1 LEU 54 -2.731 2.442 12.484 448 HD12 LEU 54 2HD1 LEU 54 -3.021 4.177 12.607 449 HD13 LEU 54 3HD1 LEU 54 -1.496 3.583 11.950 450 HD21 LEU 54 1HD2 LEU 54 -3.182 5.530 10.794 451 HD22 LEU 54 2HD2 LEU 54 -4.778 4.799 10.618 452 HD23 LEU 54 3HD2 LEU 54 -3.705 4.924 9.222 453 H LEU 55 H LEU 55 -2.055 3.041 5.859 454 HA LEU 55 HA LEU 55 -0.091 0.924 5.529 455 HB2 LEU 55 1HB LEU 55 -1.618 2.722 3.757 456 HB3 LEU 55 2HB LEU 55 -0.009 2.270 3.196 457 HG LEU 55 HG LEU 55 -1.559 0.766 2.207 458 HD11 LEU 55 1HD1 LEU 55 0.582 -0.073 3.574 459 HD12 LEU 55 2HD1 LEU 55 -0.466 -1.158 2.662 460 HD13 LEU 55 3HD1 LEU 55 -0.671 -0.995 4.406 461 HD21 LEU 55 1HD2 LEU 55 -2.726 -0.663 4.301 462 HD22 LEU 55 2HD2 LEU 55 -3.528 0.439 3.183 463 HD23 LEU 55 3HD2 LEU 55 -2.924 1.036 4.729 464 H SER 56 H SER 56 2.075 1.199 5.314 465 HA SER 56 HA SER 56 3.155 3.921 5.262 466 HB2 SER 56 1HB SER 56 4.886 2.975 7.012 467 HB3 SER 56 2HB SER 56 3.343 3.638 7.552 468 HG SER 56 HG SER 56 4.047 1.472 8.370 469 H TYR 57 H TYR 57 4.595 4.058 3.686 470 HA TYR 57 HA TYR 57 5.874 1.613 2.705 471 HB2 TYR 57 1HB TYR 57 6.042 2.614 0.635 472 HB3 TYR 57 2HB TYR 57 4.593 3.401 1.253 473 HD1 TYR 57 1HD TYR 57 4.940 5.681 2.445 474 HD2 TYR 57 2HD TYR 57 7.813 3.904 -0.142 475 HE1 TYR 57 1HE TYR 57 5.984 7.881 2.103 476 HE2 TYR 57 2HE TYR 57 8.866 6.099 -0.490 477 HH TYR 57 HH TYR 57 7.449 8.942 0.165 478 H GLU 58 H GLU 58 8.075 1.366 2.570 479 HA GLU 58 HA GLU 58 9.647 3.228 4.195 480 HB2 GLU 58 1HB GLU 58 9.614 0.758 4.711 481 HB3 GLU 58 2HB GLU 58 10.467 0.500 3.195 482 HG2 GLU 58 1HG GLU 58 12.271 2.000 4.041 483 HG3 GLU 58 2HG GLU 58 11.442 2.023 5.597 484 H SER 59 H SER 59 10.936 4.651 3.251 485 HA SER 59 HA SER 59 11.302 4.764 0.448 486 HB2 SER 59 1HB SER 59 12.960 6.589 1.020 487 HB3 SER 59 2HB SER 59 11.339 6.818 1.676 488 HG SER 59 HG SER 59 12.762 7.206 3.324 489 H SER 60 H SER 60 12.350 3.079 -0.468 490 HA SER 60 HA SER 60 14.258 1.416 0.380 491 HB2 SER 60 1HB SER 60 14.161 2.786 -2.315 492 HB3 SER 60 2HB SER 60 15.200 1.406 -1.960 493 HG SER 60 HG SER 60 13.354 0.560 -2.795 494 H LYS 61 H LYS 61 15.066 4.554 -1.113 495 HA LYS 61 HA LYS 61 17.792 4.525 -0.789 496 HB2 LYS 61 1HB LYS 61 15.933 6.890 -0.480 497 HB3 LYS 61 2HB LYS 61 17.671 7.000 -0.727 498 HG2 LYS 61 1HG LYS 61 17.266 5.668 -2.871 499 HG3 LYS 61 2HG LYS 61 15.562 6.067 -2.641 500 HD2 LYS 61 1HD LYS 61 16.190 7.838 -3.939 501 HD3 LYS 61 2HD LYS 61 16.554 8.507 -2.347 502 HE2 LYS 61 1HE LYS 61 18.673 6.958 -3.746 503 HE3 LYS 61 2HE LYS 61 18.307 8.581 -4.328 504 HZ1 LYS 61 1HZ LYS 61 20.015 8.796 -2.739 505 HZ2 LYS 61 2HZ LYS 61 19.231 7.792 -1.626 506 HZ3 LYS 61 3HZ LYS 61 18.607 9.327 -1.967 507 H MET 62 H MET 62 15.385 5.698 1.556 508 HA MET 62 HA MET 62 17.465 5.519 3.636 509 HB2 MET 62 1HB MET 62 16.305 7.796 3.008 510 HB3 MET 62 2HB MET 62 14.997 7.168 4.001 511 HG2 MET 62 1HG MET 62 17.839 7.410 4.948 512 HG3 MET 62 2HG MET 62 16.615 8.655 5.183 513 HE1 MET 62 1HE MET 62 18.176 5.534 7.130 514 HE2 MET 62 2HE MET 62 18.460 7.274 7.141 515 HE3 MET 62 3HE MET 62 17.597 6.513 8.478 516 HA PRO 63 HA PRO 63 14.407 2.234 4.641 517 HB2 PRO 63 1HB PRO 63 16.259 0.533 5.666 518 HB3 PRO 63 2HB PRO 63 15.896 0.632 3.939 519 HG2 PRO 63 1HG PRO 63 18.151 1.865 5.474 520 HG3 PRO 63 2HG PRO 63 18.183 1.054 3.898 521 HD2 PRO 63 1HD PRO 63 18.183 3.750 4.149 522 HD3 PRO 63 2HD PRO 63 17.415 2.918 2.781 523 H GLY 64 H GLY 64 13.773 1.372 6.707 524 HA2 GLY 64 1HA GLY 64 13.715 1.288 9.038 525 HA3 GLY 64 2HA GLY 64 15.112 2.353 9.086 526 H ARG 65 H ARG 65 13.436 4.055 7.076 527 HA ARG 65 HA ARG 65 11.881 5.431 9.167 528 HB2 ARG 65 1HB ARG 65 13.938 6.590 8.178 529 HB3 ARG 65 2HB ARG 65 13.003 6.739 6.696 530 HG2 ARG 65 1HG ARG 65 11.256 7.943 8.017 531 HG3 ARG 65 2HG ARG 65 12.375 7.936 9.381 532 HD2 ARG 65 1HD ARG 65 14.020 8.954 7.587 533 HD3 ARG 65 2HD ARG 65 12.510 9.433 6.812 534 HE ARG 65 HE ARG 65 12.190 10.987 8.466 535 HH11 ARG 65 2HH1 ARG 65 14.681 8.760 9.443 536 HH12 ARG 65 1HH1 ARG 65 15.136 9.678 10.841 537 HH21 ARG 65 2HH2 ARG 65 12.779 12.205 10.303 538 HH22 ARG 65 1HH2 ARG 65 14.053 11.637 11.329 539 H GLU 66 H GLU 66 9.982 4.249 8.707 540 HA GLU 66 HA GLU 66 8.862 4.309 6.046 541 HB2 GLU 66 1HB GLU 66 7.018 3.056 6.990 542 HB3 GLU 66 2HB GLU 66 8.537 2.369 7.547 543 HG2 GLU 66 1HG GLU 66 7.009 4.352 9.193 544 HG3 GLU 66 2HG GLU 66 6.652 2.627 9.241 545 H ILE 67 H ILE 67 7.053 5.444 5.374 546 HA ILE 67 HA ILE 67 6.400 7.792 7.017 547 HB ILE 67 HB ILE 67 6.095 7.343 4.047 548 HG12 ILE 67 1HG1 ILE 67 7.669 9.463 4.188 549 HG13 ILE 67 2HG1 ILE 67 8.049 8.804 5.776 550 HG21 ILE 67 1HG2 ILE 67 5.748 10.067 4.884 551 HG22 ILE 67 2HG2 ILE 67 4.669 9.041 3.942 552 HG23 ILE 67 3HG2 ILE 67 4.587 9.023 5.703 553 HD11 ILE 67 1HD1 ILE 67 9.574 7.564 4.757 554 HD12 ILE 67 2HD1 ILE 67 8.241 6.630 4.078 555 HD13 ILE 67 3HD1 ILE 67 8.938 7.966 3.162 556 H GLU 68 H GLU 68 4.593 7.565 8.157 557 HA GLU 68 HA GLU 68 2.557 5.687 7.538 558 HB2 GLU 68 1HB GLU 68 1.285 7.119 9.318 559 HB3 GLU 68 2HB GLU 68 2.661 6.136 9.801 560 HG2 GLU 68 1HG GLU 68 3.179 8.943 8.999 561 HG3 GLU 68 2HG GLU 68 2.395 8.654 10.551 562 H LEU 69 H LEU 69 1.180 5.874 5.907 563 HA LEU 69 HA LEU 69 0.578 8.409 4.699 564 HB2 LEU 69 1HB LEU 69 -0.728 5.748 4.175 565 HB3 LEU 69 2HB LEU 69 -0.720 7.158 3.119 566 HG LEU 69 HG LEU 69 1.764 5.616 3.846 567 HD11 LEU 69 1HD1 LEU 69 1.574 4.379 1.864 568 HD12 LEU 69 2HD1 LEU 69 0.258 5.384 1.259 569 HD13 LEU 69 3HD1 LEU 69 -0.021 4.286 2.611 570 HD21 LEU 69 1HD2 LEU 69 1.241 7.485 1.544 571 HD22 LEU 69 2HD2 LEU 69 2.785 6.801 2.053 572 HD23 LEU 69 3HD2 LEU 69 1.970 7.992 3.068 573 H GLU 70 H GLU 70 -0.712 9.766 5.779 574 HA GLU 70 HA GLU 70 -2.985 8.731 7.286 575 HB2 GLU 70 1HB GLU 70 -2.070 11.598 7.025 576 HB3 GLU 70 2HB GLU 70 -3.175 10.940 8.223 577 HG2 GLU 70 1HG GLU 70 -0.289 10.133 7.984 578 HG3 GLU 70 2HG GLU 70 -0.876 11.401 9.059 579 H ASN 71 H ASN 71 -2.494 11.417 4.985 580 HA ASN 71 HA ASN 71 -5.108 11.964 4.382 581 HB2 ASN 71 1HB ASN 71 -2.849 13.006 3.514 582 HB3 ASN 71 2HB ASN 71 -3.122 11.934 2.144 583 HD21 ASN 71 1HD2 ASN 71 -3.191 14.908 2.493 584 HD22 ASN 71 2HD2 ASN 71 -4.713 15.387 1.831 585 H ASP 72 H ASP 72 -6.727 10.923 3.425 586 HA ASP 72 HA ASP 72 -6.156 8.372 2.104 587 HB2 ASP 72 1HB ASP 72 -8.938 9.294 2.684 588 HB3 ASP 72 2HB ASP 72 -8.270 7.664 2.707 589 H LEU 73 H LEU 73 -7.629 11.509 1.553 590 HA LEU 73 HA LEU 73 -8.703 10.860 -1.014 591 HB2 LEU 73 1HB LEU 73 -8.064 13.575 0.127 592 HB3 LEU 73 2HB LEU 73 -9.134 13.228 -1.229 593 HG LEU 73 HG LEU 73 -9.668 12.268 1.575 594 HD11 LEU 73 1HD1 LEU 73 -9.568 14.882 0.980 595 HD12 LEU 73 2HD1 LEU 73 -10.716 14.189 2.125 596 HD13 LEU 73 3HD1 LEU 73 -11.216 14.521 0.467 597 HD21 LEU 73 1HD2 LEU 73 -12.020 12.641 0.118 598 HD22 LEU 73 2HD2 LEU 73 -11.265 11.108 0.556 599 HD23 LEU 73 3HD2 LEU 73 -10.898 11.861 -0.997 600 H GLN 74 H GLN 74 -5.583 11.272 0.050 601 HA GLN 74 HA GLN 74 -4.630 12.398 -2.482 602 HB2 GLN 74 1HB GLN 74 -3.237 11.894 0.149 603 HB3 GLN 74 2HB GLN 74 -2.408 12.451 -1.298 604 HG2 GLN 74 1HG GLN 74 -4.690 13.914 0.004 605 HG3 GLN 74 2HG GLN 74 -2.988 14.245 0.320 606 HE21 GLN 74 1HE2 GLN 74 -3.643 16.403 -0.424 607 HE22 GLN 74 2HE2 GLN 74 -3.603 16.735 -2.119 608 HA PRO 75 HA PRO 75 -3.574 8.381 -3.977 609 HB2 PRO 75 1HB PRO 75 -1.887 9.154 -5.959 610 HB3 PRO 75 2HB PRO 75 -3.644 9.320 -6.073 611 HG2 PRO 75 1HG PRO 75 -1.588 11.378 -5.363 612 HG3 PRO 75 2HG PRO 75 -3.004 11.529 -6.420 613 HD2 PRO 75 1HD PRO 75 -2.987 12.436 -3.869 614 HD3 PRO 75 2HD PRO 75 -4.453 11.809 -4.649 615 H LEU 76 H LEU 76 -1.446 7.244 -4.717 616 HA LEU 76 HA LEU 76 0.324 7.270 -2.476 617 HB2 LEU 76 1HB LEU 76 0.365 5.783 -5.092 618 HB3 LEU 76 2HB LEU 76 1.583 5.562 -3.837 619 HG LEU 76 HG LEU 76 -0.116 3.788 -3.828 620 HD11 LEU 76 1HD1 LEU 76 1.061 4.529 -1.755 621 HD12 LEU 76 2HD1 LEU 76 -0.507 3.772 -1.475 622 HD13 LEU 76 3HD1 LEU 76 -0.345 5.526 -1.379 623 HD21 LEU 76 1HD2 LEU 76 -1.958 5.374 -4.600 624 HD22 LEU 76 2HD2 LEU 76 -2.096 5.851 -2.907 625 HD23 LEU 76 3HD2 LEU 76 -2.386 4.176 -3.379 626 H GLN 77 H GLN 77 0.377 8.624 -5.684 627 HA GLN 77 HA GLN 77 3.150 9.109 -5.885 628 HB2 GLN 77 1HB GLN 77 1.857 9.228 -7.876 629 HB3 GLN 77 2HB GLN 77 0.755 10.406 -7.175 630 HG2 GLN 77 1HG GLN 77 2.554 12.063 -7.139 631 HG3 GLN 77 2HG GLN 77 3.647 10.882 -7.861 632 HE21 GLN 77 1HE2 GLN 77 0.573 12.543 -8.397 633 HE22 GLN 77 2HE2 GLN 77 0.710 12.616 -10.118 634 H PHE 78 H PHE 78 0.590 10.731 -4.203 635 HA PHE 78 HA PHE 78 1.795 13.262 -3.895 636 HB2 PHE 78 1HB PHE 78 -0.564 12.961 -3.444 637 HB3 PHE 78 2HB PHE 78 -0.210 11.812 -2.159 638 HD1 PHE 78 2HD PHE 78 -0.114 15.351 -3.135 639 HD2 PHE 78 1HD PHE 78 0.438 12.543 0.016 640 HE1 PHE 78 2HE PHE 78 -0.076 17.193 -1.505 641 HE2 PHE 78 1HE PHE 78 0.477 14.382 1.652 642 HZ PHE 78 HZ PHE 78 0.221 16.710 0.891 643 H TYR 79 H TYR 79 2.187 10.230 -2.215 644 HA TYR 79 HA TYR 79 3.799 11.461 -0.123 645 HB2 TYR 79 1HB TYR 79 2.823 8.646 -0.589 646 HB3 TYR 79 2HB TYR 79 3.974 9.046 0.681 647 HD1 TYR 79 1HD TYR 79 0.506 9.429 -0.465 648 HD2 TYR 79 2HD TYR 79 3.279 10.244 2.658 649 HE1 TYR 79 1HE TYR 79 -1.357 10.024 1.025 650 HE2 TYR 79 2HE TYR 79 1.423 10.840 4.157 651 HH TYR 79 HH TYR 79 -1.517 10.003 3.870 652 H SER 80 H SER 80 4.454 10.958 -3.148 653 HA SER 80 HA SER 80 6.335 10.604 -4.377 654 HB2 SER 80 1HB SER 80 7.561 10.852 -1.630 655 HB3 SER 80 2HB SER 80 8.538 10.608 -3.078 656 HG SER 80 HG SER 80 8.302 12.642 -3.505 657 H VAL 81 H VAL 81 4.815 8.376 -3.839 658 HA VAL 81 HA VAL 81 6.721 6.249 -3.171 659 HB VAL 81 HB VAL 81 3.726 6.127 -3.550 660 HG11 VAL 81 1HG1 VAL 81 3.788 3.854 -3.001 661 HG12 VAL 81 2HG1 VAL 81 5.114 4.057 -4.147 662 HG13 VAL 81 3HG1 VAL 81 5.449 3.947 -2.418 663 HG21 VAL 81 1HG2 VAL 81 4.806 5.416 -0.948 664 HG22 VAL 81 2HG2 VAL 81 5.165 7.083 -1.397 665 HG23 VAL 81 3HG2 VAL 81 3.494 6.518 -1.364 666 H GLU 82 H GLU 82 7.434 4.797 -4.634 667 HA GLU 82 HA GLU 82 6.192 4.709 -7.282 668 HB2 GLU 82 1HB GLU 82 9.069 5.385 -6.708 669 HB3 GLU 82 2HB GLU 82 8.576 4.693 -8.247 670 HG2 GLU 82 1HG GLU 82 7.446 6.577 -8.894 671 HG3 GLU 82 2HG GLU 82 7.157 7.104 -7.237 672 H ASN 83 H ASN 83 7.111 2.885 -8.611 673 HA ASN 83 HA ASN 83 6.809 0.462 -7.315 674 HB2 ASN 83 1HB ASN 83 7.811 -0.561 -9.345 675 HB3 ASN 83 2HB ASN 83 6.590 0.651 -9.725 676 HD21 ASN 83 1HD2 ASN 83 7.109 2.034 -11.246 677 HD22 ASN 83 2HD2 ASN 83 8.710 2.483 -11.715 678 H GLY 84 H GLY 84 8.140 -0.987 -6.335 679 HA2 GLY 84 1HA GLY 84 10.406 -1.896 -6.082 680 HA3 GLY 84 2HA GLY 84 10.991 -0.239 -6.122 681 H ASP 85 H ASP 85 9.141 0.953 -4.396 682 HA ASP 85 HA ASP 85 10.312 0.444 -1.900 683 HB2 ASP 85 1HB ASP 85 8.828 2.061 -1.018 684 HB3 ASP 85 2HB ASP 85 9.122 2.562 -2.681 685 H CYS 86 H CYS 86 8.964 -0.059 0.107 686 HA CYS 86 HA CYS 86 7.440 -2.514 -0.425 687 HB2 CYS 86 1HB CYS 86 9.176 -1.622 1.849 688 HB3 CYS 86 2HB CYS 86 7.927 -2.828 2.132 689 HG CYS 86 HG CYS 86 10.408 -3.175 -0.198 690 H LEU 87 H LEU 87 5.660 -3.006 1.092 691 HA LEU 87 HA LEU 87 4.280 -0.557 1.975 692 HB2 LEU 87 1HB LEU 87 3.295 -2.895 0.410 693 HB3 LEU 87 2HB LEU 87 2.183 -2.060 1.492 694 HG LEU 87 HG LEU 87 3.582 -0.955 -0.935 695 HD11 LEU 87 1HD1 LEU 87 1.645 -2.073 -1.602 696 HD12 LEU 87 2HD1 LEU 87 1.142 -0.389 -1.461 697 HD13 LEU 87 3HD1 LEU 87 0.737 -1.539 -0.187 698 HD21 LEU 87 1HD2 LEU 87 3.727 0.905 0.377 699 HD22 LEU 87 2HD2 LEU 87 2.371 0.429 1.400 700 HD23 LEU 87 3HD2 LEU 87 2.073 1.091 -0.208 701 H LEU 88 H LEU 88 3.948 -0.515 4.089 702 HA LEU 88 HA LEU 88 3.884 -3.055 5.565 703 HB2 LEU 88 1HB LEU 88 4.294 -0.287 6.675 704 HB3 LEU 88 2HB LEU 88 4.532 -1.820 7.512 705 HG LEU 88 HG LEU 88 6.180 -1.169 5.102 706 HD11 LEU 88 1HD1 LEU 88 6.163 0.746 6.823 707 HD12 LEU 88 2HD1 LEU 88 7.716 0.103 6.292 708 HD13 LEU 88 3HD1 LEU 88 7.052 -0.375 7.854 709 HD21 LEU 88 1HD2 LEU 88 7.646 -2.402 7.143 710 HD22 LEU 88 2HD2 LEU 88 7.049 -3.135 5.654 711 HD23 LEU 88 3HD2 LEU 88 6.077 -3.206 7.124 712 H VAL 89 H VAL 89 1.959 -3.762 6.175 713 HA VAL 89 HA VAL 89 -0.255 -1.856 6.428 714 HB VAL 89 HB VAL 89 -0.299 -4.871 6.237 715 HG11 VAL 89 1HG1 VAL 89 -2.487 -4.870 6.707 716 HG12 VAL 89 2HG1 VAL 89 -2.194 -3.281 7.416 717 HG13 VAL 89 3HG1 VAL 89 -2.783 -3.413 5.759 718 HG21 VAL 89 1HG2 VAL 89 0.332 -3.454 4.191 719 HG22 VAL 89 2HG2 VAL 89 -0.959 -4.641 4.007 720 HG23 VAL 89 3HG2 VAL 89 -1.353 -2.933 4.203 721 H ARG 90 H ARG 90 -0.351 -1.049 8.437 722 HA ARG 90 HA ARG 90 -0.452 -2.967 10.664 723 HB2 ARG 90 1HB ARG 90 1.719 -1.848 10.731 724 HB3 ARG 90 2HB ARG 90 0.929 -0.278 10.678 725 HG2 ARG 90 1HG ARG 90 -0.244 -1.047 12.843 726 HG3 ARG 90 2HG ARG 90 1.039 -2.256 12.915 727 HD2 ARG 90 1HD ARG 90 2.723 -0.511 12.877 728 HD3 ARG 90 2HD ARG 90 1.473 0.721 12.706 729 HE ARG 90 HE ARG 90 1.054 -0.846 15.036 730 HH11 ARG 90 2HH1 ARG 90 3.017 1.721 13.742 731 HH12 ARG 90 1HH1 ARG 90 3.334 2.436 15.288 732 HH21 ARG 90 2HH2 ARG 90 1.463 0.086 17.078 733 HH22 ARG 90 1HH2 ARG 90 2.450 1.504 17.185 734 H TRP 91 H TRP 91 -2.101 -2.695 12.060 735 HA TRP 91 HA TRP 91 -3.690 -0.225 11.850 736 HB2 TRP 91 1HB TRP 91 -5.741 -1.535 12.039 737 HB3 TRP 91 2HB TRP 91 -4.812 -2.055 10.635 738 HD1 TRP 91 HD TRP 91 -5.691 -3.214 14.207 739 HE1 TRP 91 1HE TRP 91 -5.439 -5.774 14.306 740 HE3 TRP 91 3HE TRP 91 -3.748 -4.019 9.547 741 HZ2 TRP 91 2HZ TRP 91 -4.536 -7.858 12.630 742 HZ3 TRP 91 3HZ TRP 91 -3.217 -6.325 8.873 743 HH2 TRP 91 HH TRP 91 -3.603 -8.204 10.384 744 H SER 92 H SER 92 -4.536 0.579 13.735 745 HA SER 92 HA SER 92 -3.566 -0.698 16.197 746 HB2 SER 92 1HB SER 92 -2.954 1.735 15.528 747 HB3 SER 92 2HB SER 92 -4.597 2.124 16.039 748 HG SER 92 HG SER 92 -2.687 0.779 17.652 749 H GLY 93 H GLY 93 -5.098 -2.013 16.987 750 HA2 GLY 93 1HA GLY 93 -7.880 -1.033 17.032 751 HA3 GLY 93 2HA GLY 93 -7.410 -2.725 17.088 752 HA PRO 94 HA PRO 94 -6.395 -0.877 21.448 753 HB2 PRO 94 1HB PRO 94 -7.366 1.607 21.956 754 HB3 PRO 94 2HB PRO 94 -5.757 1.324 21.279 755 HG2 PRO 94 1HG PRO 94 -8.293 2.087 19.882 756 HG3 PRO 94 2HG PRO 94 -6.650 2.709 19.638 757 HD2 PRO 94 1HD PRO 94 -7.768 0.864 18.001 758 HD3 PRO 94 2HD PRO 94 -6.027 0.908 18.341 759 H SER 95 H SER 95 -7.823 -2.306 22.319 760 HA SER 95 HA SER 95 -10.566 -2.372 22.070 761 HB2 SER 95 1HB SER 95 -9.170 -4.159 23.108 762 HB3 SER 95 2HB SER 95 -9.011 -3.154 24.548 763 HG SER 95 HG SER 95 -10.708 -4.656 24.769 764 H SER 96 H SER 96 -12.261 -1.338 22.962 765 HA SER 96 HA SER 96 -12.103 1.204 23.954 766 HB2 SER 96 1HB SER 96 -14.167 -0.232 23.219 767 HB3 SER 96 2HB SER 96 -14.297 -0.588 24.941 768 HG SER 96 HG SER 96 -14.675 1.817 23.579 769 H GLY 97 H GLY 97 -12.387 2.140 26.045 770 HA2 GLY 97 1HA GLY 97 -12.578 1.012 28.492 771 HA3 GLY 97 2HA GLY 97 -10.892 0.733 28.082 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -9.534 5.546 -17.377 2 HA2 GLY 1 1HA GLY 1 -9.565 5.468 -14.512 3 HA3 GLY 1 2HA GLY 1 -9.087 6.831 -15.512 4 H SER 2 H SER 2 -11.346 5.725 -13.344 5 HA SER 2 HA SER 2 -13.753 6.812 -14.267 6 HB2 SER 2 1HB SER 2 -14.531 6.660 -12.000 7 HB3 SER 2 2HB SER 2 -13.462 5.285 -12.281 8 HG SER 2 HG SER 2 -13.012 6.325 -10.295 9 H SER 3 H SER 3 -11.133 8.264 -12.381 10 HA SER 3 HA SER 3 -12.413 10.758 -11.968 11 HB2 SER 3 1HB SER 3 -9.580 9.786 -11.760 12 HB3 SER 3 2HB SER 3 -9.933 11.509 -11.626 13 HG SER 3 HG SER 3 -11.470 9.742 -10.109 14 H GLY 4 H GLY 4 -9.753 9.868 -14.181 15 HA2 GLY 4 1HA GLY 4 -10.709 11.001 -16.487 16 HA3 GLY 4 2HA GLY 4 -9.954 12.335 -15.627 17 H SER 5 H SER 5 -7.827 10.879 -14.444 18 HA SER 5 HA SER 5 -6.243 10.249 -16.847 19 HB2 SER 5 1HB SER 5 -5.336 11.444 -14.217 20 HB3 SER 5 2HB SER 5 -4.268 11.015 -15.553 21 HG SER 5 HG SER 5 -4.849 13.235 -15.574 22 H SER 6 H SER 6 -4.655 8.597 -16.693 23 HA SER 6 HA SER 6 -5.310 6.574 -14.661 24 HB2 SER 6 1HB SER 6 -4.324 6.378 -17.494 25 HB3 SER 6 2HB SER 6 -4.090 5.040 -16.369 26 HG SER 6 HG SER 6 -6.347 5.852 -17.653 27 H GLY 7 H GLY 7 -3.285 4.961 -14.492 28 HA2 GLY 7 1HA GLY 7 -0.763 6.407 -14.359 29 HA3 GLY 7 2HA GLY 7 -1.446 5.925 -12.814 30 H GLN 8 H GLN 8 1.057 5.064 -13.844 31 HA GLN 8 HA GLN 8 0.749 2.399 -14.883 32 HB2 GLN 8 1HB GLN 8 3.146 2.273 -14.815 33 HB3 GLN 8 2HB GLN 8 2.698 3.864 -15.415 34 HG2 GLN 8 1HG GLN 8 2.998 4.686 -13.036 35 HG3 GLN 8 2HG GLN 8 3.763 3.132 -12.709 36 HE21 GLN 8 1HE2 GLN 8 5.352 2.594 -14.681 37 HE22 GLN 8 2HE2 GLN 8 6.510 3.843 -14.974 38 H LEU 9 H LEU 9 0.841 0.493 -13.808 39 HA LEU 9 HA LEU 9 0.193 0.421 -11.070 40 HB2 LEU 9 1HB LEU 9 0.885 -1.580 -13.149 41 HB3 LEU 9 2HB LEU 9 0.976 -2.090 -11.465 42 HG LEU 9 HG LEU 9 -1.153 -2.747 -12.159 43 HD11 LEU 9 1HD1 LEU 9 -0.903 -1.001 -10.131 44 HD12 LEU 9 2HD1 LEU 9 -2.425 -1.773 -10.574 45 HD13 LEU 9 3HD1 LEU 9 -2.070 -0.140 -11.135 46 HD21 LEU 9 1HD2 LEU 9 -2.217 -1.870 -13.901 47 HD22 LEU 9 2HD2 LEU 9 -0.868 -0.748 -14.081 48 HD23 LEU 9 3HD2 LEU 9 -2.284 -0.282 -13.137 49 H LEU 10 H LEU 10 1.386 0.166 -9.261 50 HA LEU 10 HA LEU 10 4.309 0.145 -9.591 51 HB2 LEU 10 1HB LEU 10 3.046 0.870 -7.005 52 HB3 LEU 10 2HB LEU 10 4.517 1.486 -7.756 53 HG LEU 10 HG LEU 10 1.703 2.214 -8.572 54 HD11 LEU 10 1HD1 LEU 10 3.262 4.394 -7.595 55 HD12 LEU 10 2HD1 LEU 10 3.246 3.108 -6.389 56 HD13 LEU 10 3HD1 LEU 10 1.727 3.768 -6.994 57 HD21 LEU 10 1HD2 LEU 10 3.159 2.363 -10.459 58 HD22 LEU 10 2HD2 LEU 10 4.406 3.165 -9.504 59 HD23 LEU 10 3HD2 LEU 10 2.891 3.998 -9.855 60 H THR 11 H THR 11 5.302 -1.691 -9.125 61 HA THR 11 HA THR 11 3.962 -3.822 -7.743 62 HB THR 11 HB THR 11 6.885 -3.775 -8.480 63 HG1 THR 11 1HG THR 11 5.391 -3.198 -10.264 64 HG21 THR 11 1HG2 THR 11 6.293 -6.246 -8.893 65 HG22 THR 11 2HG2 THR 11 4.834 -5.907 -7.962 66 HG23 THR 11 3HG2 THR 11 6.422 -5.695 -7.224 67 H LEU 12 H LEU 12 3.731 -3.719 -5.601 68 HA LEU 12 HA LEU 12 6.098 -3.028 -3.990 69 HB2 LEU 12 1HB LEU 12 3.287 -2.486 -3.092 70 HB3 LEU 12 2HB LEU 12 4.794 -1.855 -2.430 71 HG LEU 12 HG LEU 12 3.748 -1.115 -5.157 72 HD11 LEU 12 1HD1 LEU 12 3.146 1.054 -3.980 73 HD12 LEU 12 2HD1 LEU 12 3.262 0.145 -2.474 74 HD13 LEU 12 3HD1 LEU 12 2.084 -0.326 -3.698 75 HD21 LEU 12 1HD2 LEU 12 5.265 0.927 -4.447 76 HD22 LEU 12 2HD2 LEU 12 5.950 -0.514 -5.200 77 HD23 LEU 12 3HD2 LEU 12 6.043 -0.303 -3.451 78 H LYS 13 H LYS 13 6.263 -4.082 -1.944 79 HA LYS 13 HA LYS 13 4.885 -6.678 -1.905 80 HB2 LYS 13 1HB LYS 13 7.582 -5.751 -1.047 81 HB3 LYS 13 2HB LYS 13 6.840 -7.057 -0.131 82 HG2 LYS 13 1HG LYS 13 6.720 -8.449 -2.050 83 HG3 LYS 13 2HG LYS 13 7.161 -7.116 -3.120 84 HD2 LYS 13 1HD LYS 13 9.369 -7.004 -2.040 85 HD3 LYS 13 2HD LYS 13 8.923 -8.369 -1.013 86 HE2 LYS 13 1HE LYS 13 8.679 -9.787 -2.973 87 HE3 LYS 13 2HE LYS 13 9.050 -8.424 -4.027 88 HZ1 LYS 13 1HZ LYS 13 11.246 -8.296 -2.949 89 HZ2 LYS 13 2HZ LYS 13 10.998 -9.766 -3.749 90 HZ3 LYS 13 3HZ LYS 13 10.881 -9.691 -2.063 91 H ILE 14 H ILE 14 3.304 -6.925 -0.482 92 HA ILE 14 HA ILE 14 2.995 -5.056 1.711 93 HB ILE 14 HB ILE 14 1.273 -7.309 0.693 94 HG12 ILE 14 1HG1 ILE 14 -0.283 -5.151 0.578 95 HG13 ILE 14 2HG1 ILE 14 1.274 -4.332 0.510 96 HG21 ILE 14 1HG2 ILE 14 -0.408 -6.561 2.359 97 HG22 ILE 14 2HG2 ILE 14 1.019 -7.302 3.081 98 HG23 ILE 14 3HG2 ILE 14 0.833 -5.549 3.099 99 HD11 ILE 14 1HD1 ILE 14 1.187 -4.670 -1.680 100 HD12 ILE 14 2HD1 ILE 14 1.536 -6.363 -1.330 101 HD13 ILE 14 3HD1 ILE 14 -0.133 -5.830 -1.529 102 H LYS 15 H LYS 15 3.727 -5.393 3.694 103 HA LYS 15 HA LYS 15 3.999 -8.149 4.672 104 HB2 LYS 15 1HB LYS 15 6.222 -7.440 3.955 105 HB3 LYS 15 2HB LYS 15 6.090 -5.978 4.924 106 HG2 LYS 15 1HG LYS 15 5.884 -7.464 6.942 107 HG3 LYS 15 2HG LYS 15 6.312 -8.815 5.890 108 HD2 LYS 15 1HD LYS 15 8.316 -8.082 6.948 109 HD3 LYS 15 2HD LYS 15 8.388 -7.546 5.267 110 HE2 LYS 15 1HE LYS 15 8.127 -5.337 5.819 111 HE3 LYS 15 2HE LYS 15 7.236 -5.699 7.297 112 HZ1 LYS 15 1HZ LYS 15 9.936 -5.094 7.045 113 HZ2 LYS 15 2HZ LYS 15 9.853 -6.719 7.505 114 HZ3 LYS 15 3HZ LYS 15 9.102 -5.534 8.450 115 H CYS 16 H CYS 16 2.482 -8.189 6.217 116 HA CYS 16 HA CYS 16 1.721 -5.947 7.773 117 HB2 CYS 16 1HB CYS 16 1.133 -8.879 7.846 118 HB3 CYS 16 2HB CYS 16 0.696 -7.890 9.234 119 HG CYS 16 HG CYS 16 -1.650 -7.966 7.962 120 H SER 17 H SER 17 2.549 -5.139 9.589 121 HA SER 17 HA SER 17 4.981 -6.194 10.655 122 HB2 SER 17 1HB SER 17 4.413 -3.749 10.539 123 HB3 SER 17 2HB SER 17 3.243 -4.014 11.832 124 HG SER 17 HG SER 17 4.842 -4.348 13.238 125 H ASN 18 H ASN 18 1.612 -6.180 11.664 126 HA ASN 18 HA ASN 18 2.106 -7.252 14.265 127 HB2 ASN 18 1HB ASN 18 -0.417 -7.763 14.125 128 HB3 ASN 18 2HB ASN 18 0.083 -6.075 14.077 129 HD21 ASN 18 1HD2 ASN 18 -0.048 -4.937 12.136 130 HD22 ASN 18 2HD2 ASN 18 -1.017 -5.493 10.818 131 H GLN 19 H GLN 19 2.224 -8.587 11.192 132 HA GLN 19 HA GLN 19 1.986 -11.297 12.313 133 HB2 GLN 19 1HB GLN 19 1.236 -10.607 9.477 134 HB3 GLN 19 2HB GLN 19 0.925 -12.104 10.345 135 HG2 GLN 19 1HG GLN 19 -0.433 -10.493 11.930 136 HG3 GLN 19 2HG GLN 19 -0.493 -9.502 10.474 137 HE21 GLN 19 1HE2 GLN 19 -2.540 -9.728 9.830 138 HE22 GLN 19 2HE2 GLN 19 -3.308 -11.234 9.475 139 HA PRO 20 HA PRO 20 6.206 -10.776 10.561 140 HB2 PRO 20 1HB PRO 20 7.408 -12.300 12.459 141 HB3 PRO 20 2HB PRO 20 7.066 -10.581 12.683 142 HG2 PRO 20 1HG PRO 20 5.536 -12.960 13.664 143 HG3 PRO 20 2HG PRO 20 5.942 -11.460 14.519 144 HD2 PRO 20 1HD PRO 20 3.502 -11.902 13.429 145 HD3 PRO 20 2HD PRO 20 4.225 -10.283 13.528 146 H GLU 21 H GLU 21 4.434 -13.621 11.643 147 HA GLU 21 HA GLU 21 6.088 -15.512 10.290 148 HB2 GLU 21 1HB GLU 21 4.789 -16.263 12.162 149 HB3 GLU 21 2HB GLU 21 3.296 -15.699 11.423 150 HG2 GLU 21 1HG GLU 21 3.771 -17.370 9.567 151 HG3 GLU 21 2HG GLU 21 4.988 -18.049 10.646 152 H ARG 22 H ARG 22 2.976 -13.976 9.554 153 HA ARG 22 HA ARG 22 2.292 -15.303 7.244 154 HB2 ARG 22 1HB ARG 22 0.996 -13.485 8.461 155 HB3 ARG 22 2HB ARG 22 1.980 -12.323 7.581 156 HG2 ARG 22 1HG ARG 22 1.164 -13.320 5.460 157 HG3 ARG 22 2HG ARG 22 0.087 -14.347 6.408 158 HD2 ARG 22 1HD ARG 22 -1.226 -12.563 7.087 159 HD3 ARG 22 2HD ARG 22 0.050 -11.383 6.790 160 HE ARG 22 HE ARG 22 -0.714 -12.581 4.358 161 HH11 ARG 22 2HH1 ARG 22 -1.888 -10.356 6.765 162 HH12 ARG 22 1HH1 ARG 22 -2.885 -9.477 5.654 163 HH21 ARG 22 2HH2 ARG 22 -2.023 -11.431 2.886 164 HH22 ARG 22 1HH2 ARG 22 -2.961 -10.090 3.448 165 H GLN 23 H GLN 23 3.202 -15.537 5.315 166 HA GLN 23 HA GLN 23 5.680 -14.423 4.638 167 HB2 GLN 23 1HB GLN 23 5.299 -15.373 2.406 168 HB3 GLN 23 2HB GLN 23 4.884 -16.518 3.675 169 HG2 GLN 23 1HG GLN 23 2.481 -15.663 3.375 170 HG3 GLN 23 2HG GLN 23 3.067 -14.990 1.855 171 HE21 GLN 23 1HE2 GLN 23 1.273 -16.554 1.213 172 HE22 GLN 23 2HE2 GLN 23 1.774 -18.157 0.808 173 H ILE 24 H ILE 24 5.812 -13.393 2.246 174 HA ILE 24 HA ILE 24 4.259 -10.905 2.437 175 HB ILE 24 HB ILE 24 6.883 -11.463 1.051 176 HG12 ILE 24 1HG1 ILE 24 6.247 -9.664 3.399 177 HG13 ILE 24 2HG1 ILE 24 6.934 -11.279 3.542 178 HG21 ILE 24 1HG2 ILE 24 5.367 -9.832 -0.127 179 HG22 ILE 24 2HG2 ILE 24 5.500 -8.803 1.297 180 HG23 ILE 24 3HG2 ILE 24 6.939 -9.197 0.357 181 HD11 ILE 24 1HD1 ILE 24 8.978 -10.524 3.152 182 HD12 ILE 24 2HD1 ILE 24 8.456 -9.637 1.720 183 HD13 ILE 24 3HD1 ILE 24 8.317 -8.897 3.314 184 H LEU 25 H LEU 25 3.041 -10.170 0.764 185 HA LEU 25 HA LEU 25 2.786 -11.964 -1.557 186 HB2 LEU 25 1HB LEU 25 0.671 -9.989 -0.902 187 HB3 LEU 25 2HB LEU 25 0.535 -11.599 -1.607 188 HG LEU 25 HG LEU 25 -0.455 -11.918 0.438 189 HD11 LEU 25 1HD1 LEU 25 2.216 -12.398 1.591 190 HD12 LEU 25 2HD1 LEU 25 1.880 -13.184 0.049 191 HD13 LEU 25 3HD1 LEU 25 0.831 -13.479 1.435 192 HD21 LEU 25 1HD2 LEU 25 1.010 -10.879 2.495 193 HD22 LEU 25 2HD2 LEU 25 -0.400 -10.114 1.761 194 HD23 LEU 25 3HD2 LEU 25 1.223 -9.661 1.237 195 H GLU 26 H GLU 26 1.703 -10.660 -3.472 196 HA GLU 26 HA GLU 26 3.144 -8.112 -3.782 197 HB2 GLU 26 1HB GLU 26 4.051 -10.266 -5.010 198 HB3 GLU 26 2HB GLU 26 2.751 -9.907 -6.138 199 HG2 GLU 26 1HG GLU 26 3.801 -7.501 -6.075 200 HG3 GLU 26 2HG GLU 26 5.235 -8.385 -5.557 201 H LYS 27 H LYS 27 2.100 -6.501 -4.895 202 HA LYS 27 HA LYS 27 -0.444 -7.051 -6.189 203 HB2 LYS 27 1HB LYS 27 -0.168 -5.680 -3.575 204 HB3 LYS 27 2HB LYS 27 -1.258 -4.933 -4.736 205 HG2 LYS 27 1HG LYS 27 -1.433 -7.830 -3.958 206 HG3 LYS 27 2HG LYS 27 -2.305 -6.546 -3.117 207 HD2 LYS 27 1HD LYS 27 -3.029 -5.952 -5.610 208 HD3 LYS 27 2HD LYS 27 -2.724 -7.676 -5.831 209 HE2 LYS 27 1HE LYS 27 -4.467 -6.582 -3.635 210 HE3 LYS 27 2HE LYS 27 -5.091 -7.032 -5.221 211 HZ1 LYS 27 1HZ LYS 27 -5.023 -9.179 -4.697 212 HZ2 LYS 27 2HZ LYS 27 -4.808 -8.697 -3.091 213 HZ3 LYS 27 3HZ LYS 27 -3.465 -9.078 -4.047 214 H GLN 28 H GLN 28 -1.028 -5.518 -7.700 215 HA GLN 28 HA GLN 28 0.904 -3.331 -8.106 216 HB2 GLN 28 1HB GLN 28 -0.314 -5.277 -9.994 217 HB3 GLN 28 2HB GLN 28 -0.073 -3.635 -10.576 218 HG2 GLN 28 1HG GLN 28 2.339 -4.030 -9.552 219 HG3 GLN 28 2HG GLN 28 1.914 -5.712 -9.867 220 HE21 GLN 28 1HE2 GLN 28 3.709 -3.480 -11.099 221 HE22 GLN 28 2HE2 GLN 28 3.451 -3.689 -12.795 222 H LEU 29 H LEU 29 0.029 -1.424 -7.673 223 HA LEU 29 HA LEU 29 -2.744 -0.925 -8.523 224 HB2 LEU 29 1HB LEU 29 -1.501 0.183 -6.015 225 HB3 LEU 29 2HB LEU 29 -3.174 0.351 -6.544 226 HG LEU 29 HG LEU 29 -3.032 -1.219 -4.713 227 HD11 LEU 29 1HD1 LEU 29 -3.660 -2.377 -7.410 228 HD12 LEU 29 2HD1 LEU 29 -4.771 -1.747 -6.193 229 HD13 LEU 29 3HD1 LEU 29 -3.933 -3.274 -5.916 230 HD21 LEU 29 1HD2 LEU 29 -0.601 -1.928 -5.793 231 HD22 LEU 29 2HD2 LEU 29 -1.617 -3.330 -6.130 232 HD23 LEU 29 3HD2 LEU 29 -1.430 -2.754 -4.473 233 HA PRO 30 HA PRO 30 -1.073 2.568 -10.616 234 HB2 PRO 30 1HB PRO 30 -3.328 4.065 -10.824 235 HB3 PRO 30 2HB PRO 30 -3.044 2.615 -11.795 236 HG2 PRO 30 1HG PRO 30 -4.677 2.938 -9.307 237 HG3 PRO 30 2HG PRO 30 -5.059 2.040 -10.787 238 HD2 PRO 30 1HD PRO 30 -4.151 0.830 -8.541 239 HD3 PRO 30 2HD PRO 30 -3.774 0.228 -10.169 240 H ASP 31 H ASP 31 -0.018 4.351 -9.987 241 HA ASP 31 HA ASP 31 0.067 5.250 -7.373 242 HB2 ASP 31 1HB ASP 31 1.368 7.107 -8.172 243 HB3 ASP 31 2HB ASP 31 1.776 5.700 -9.150 244 H SER 32 H SER 32 -2.142 6.077 -9.910 245 HA SER 32 HA SER 32 -3.082 8.535 -8.879 246 HB2 SER 32 1HB SER 32 -3.461 7.595 -11.216 247 HB3 SER 32 2HB SER 32 -4.720 6.586 -10.503 248 HG SER 32 HG SER 32 -5.067 8.959 -11.387 249 H MET 33 H MET 33 -3.715 5.229 -8.057 250 HA MET 33 HA MET 33 -6.208 5.385 -6.860 251 HB2 MET 33 1HB MET 33 -4.684 3.343 -7.220 252 HB3 MET 33 2HB MET 33 -3.956 3.776 -5.679 253 HG2 MET 33 1HG MET 33 -6.214 3.635 -4.647 254 HG3 MET 33 2HG MET 33 -6.823 3.028 -6.185 255 HE1 MET 33 1HE MET 33 -7.775 1.136 -5.602 256 HE2 MET 33 2HE MET 33 -6.748 0.087 -6.579 257 HE3 MET 33 3HE MET 33 -7.084 -0.326 -4.897 258 H THR 34 H THR 34 -6.974 6.009 -4.888 259 HA THR 34 HA THR 34 -5.286 7.828 -3.375 260 HB THR 34 HB THR 34 -7.451 8.204 -2.062 261 HG1 THR 34 1HG THR 34 -9.328 7.547 -3.398 262 HG21 THR 34 1HG2 THR 34 -6.710 9.806 -3.702 263 HG22 THR 34 2HG2 THR 34 -8.447 9.566 -3.897 264 HG23 THR 34 3HG2 THR 34 -7.319 8.804 -5.018 265 H VAL 35 H VAL 35 -4.469 7.459 -1.397 266 HA VAL 35 HA VAL 35 -3.874 5.085 -0.333 267 HB VAL 35 HB VAL 35 -4.625 7.581 1.179 268 HG11 VAL 35 1HG1 VAL 35 -4.701 6.348 3.034 269 HG12 VAL 35 2HG1 VAL 35 -4.113 4.911 2.194 270 HG13 VAL 35 3HG1 VAL 35 -2.968 6.097 2.823 271 HG21 VAL 35 1HG2 VAL 35 -1.908 6.371 0.719 272 HG22 VAL 35 2HG2 VAL 35 -2.633 7.547 -0.378 273 HG23 VAL 35 3HG2 VAL 35 -2.295 7.993 1.295 274 H GLN 36 H GLN 36 -6.920 6.794 0.290 275 HA GLN 36 HA GLN 36 -8.041 5.055 2.133 276 HB2 GLN 36 1HB GLN 36 -8.886 7.328 1.078 277 HB3 GLN 36 2HB GLN 36 -9.787 6.246 0.025 278 HG2 GLN 36 1HG GLN 36 -10.877 5.238 1.925 279 HG3 GLN 36 2HG GLN 36 -9.907 6.210 3.031 280 HE21 GLN 36 1HE2 GLN 36 -12.885 5.942 2.088 281 HE22 GLN 36 2HE2 GLN 36 -13.389 7.592 2.000 282 H LYS 37 H LYS 37 -8.365 4.990 -1.413 283 HA LYS 37 HA LYS 37 -10.003 2.808 -1.710 284 HB2 LYS 37 1HB LYS 37 -7.738 3.863 -3.372 285 HB3 LYS 37 2HB LYS 37 -8.583 2.399 -3.855 286 HG2 LYS 37 1HG LYS 37 -10.210 4.795 -3.206 287 HG3 LYS 37 2HG LYS 37 -9.309 4.780 -4.724 288 HD2 LYS 37 1HD LYS 37 -10.922 2.381 -4.018 289 HD3 LYS 37 2HD LYS 37 -11.772 3.829 -4.562 290 HE2 LYS 37 1HE LYS 37 -9.434 2.773 -6.103 291 HE3 LYS 37 2HE LYS 37 -11.029 2.050 -6.301 292 HZ1 LYS 37 1HZ LYS 37 -10.033 4.390 -7.466 293 HZ2 LYS 37 2HZ LYS 37 -11.302 4.831 -6.439 294 HZ3 LYS 37 3HZ LYS 37 -11.562 3.692 -7.662 295 H VAL 38 H VAL 38 -6.440 2.743 -1.587 296 HA VAL 38 HA VAL 38 -6.077 0.001 -1.743 297 HB VAL 38 HB VAL 38 -4.427 1.972 -0.154 298 HG11 VAL 38 1HG1 VAL 38 -4.116 -0.504 0.335 299 HG12 VAL 38 2HG1 VAL 38 -3.497 -0.641 -1.312 300 HG13 VAL 38 3HG1 VAL 38 -2.679 0.397 -0.145 301 HG21 VAL 38 1HG2 VAL 38 -3.126 2.308 -2.090 302 HG22 VAL 38 2HG2 VAL 38 -3.883 0.955 -2.932 303 HG23 VAL 38 3HG2 VAL 38 -4.802 2.429 -2.625 304 H LYS 39 H LYS 39 -6.381 1.998 1.191 305 HA LYS 39 HA LYS 39 -6.190 -0.041 3.073 306 HB2 LYS 39 1HB LYS 39 -7.737 2.552 3.161 307 HB3 LYS 39 2HB LYS 39 -7.517 1.503 4.555 308 HG2 LYS 39 1HG LYS 39 -5.117 1.807 4.444 309 HG3 LYS 39 2HG LYS 39 -5.291 2.794 2.990 310 HD2 LYS 39 1HD LYS 39 -6.463 4.494 4.212 311 HD3 LYS 39 2HD LYS 39 -6.533 3.476 5.652 312 HE2 LYS 39 1HE LYS 39 -4.068 3.534 5.771 313 HE3 LYS 39 2HE LYS 39 -4.047 4.616 4.379 314 HZ1 LYS 39 1HZ LYS 39 -3.942 5.598 6.746 315 HZ2 LYS 39 2HZ LYS 39 -5.611 5.326 6.771 316 HZ3 LYS 39 3HZ LYS 39 -4.937 6.340 5.596 317 H GLY 40 H GLY 40 -8.989 1.120 1.259 318 HA2 GLY 40 1HA GLY 40 -10.945 -0.375 2.650 319 HA3 GLY 40 2HA GLY 40 -11.113 0.277 1.027 320 H LEU 41 H LEU 41 -8.905 -1.146 -0.120 321 HA LEU 41 HA LEU 41 -10.186 -3.474 -0.966 322 HB2 LEU 41 1HB LEU 41 -8.510 -2.525 -2.342 323 HB3 LEU 41 2HB LEU 41 -7.306 -2.619 -1.059 324 HG LEU 41 HG LEU 41 -7.730 -5.209 -1.312 325 HD11 LEU 41 1HD1 LEU 41 -9.527 -5.063 -2.912 326 HD12 LEU 41 2HD1 LEU 41 -8.118 -5.796 -3.677 327 HD13 LEU 41 3HD1 LEU 41 -8.522 -4.111 -4.005 328 HD21 LEU 41 1HD2 LEU 41 -5.563 -4.541 -1.645 329 HD22 LEU 41 2HD2 LEU 41 -6.000 -3.353 -2.873 330 HD23 LEU 41 3HD2 LEU 41 -5.991 -5.071 -3.272 331 H LEU 42 H LEU 42 -7.480 -3.114 1.321 332 HA LEU 42 HA LEU 42 -7.526 -5.901 2.022 333 HB2 LEU 42 1HB LEU 42 -6.136 -3.613 3.406 334 HB3 LEU 42 2HB LEU 42 -5.806 -5.330 3.628 335 HG LEU 42 HG LEU 42 -5.476 -4.123 0.917 336 HD11 LEU 42 1HD1 LEU 42 -4.334 -2.643 2.606 337 HD12 LEU 42 2HD1 LEU 42 -3.286 -3.357 1.380 338 HD13 LEU 42 3HD1 LEU 42 -3.318 -4.027 3.011 339 HD21 LEU 42 1HD2 LEU 42 -5.011 -6.320 0.691 340 HD22 LEU 42 2HD2 LEU 42 -4.622 -6.528 2.398 341 HD23 LEU 42 3HD2 LEU 42 -3.432 -5.826 1.301 342 H SER 43 H SER 43 -8.926 -2.958 3.246 343 HA SER 43 HA SER 43 -9.487 -3.523 5.860 344 HB2 SER 43 1HB SER 43 -10.205 -1.420 5.151 345 HB3 SER 43 2HB SER 43 -11.044 -2.071 3.743 346 HG SER 43 HG SER 43 -11.839 -2.119 6.453 347 H ARG 44 H ARG 44 -10.875 -4.979 3.019 348 HA ARG 44 HA ARG 44 -12.944 -6.335 4.551 349 HB2 ARG 44 1HB ARG 44 -12.242 -6.327 1.616 350 HB3 ARG 44 2HB ARG 44 -13.502 -7.345 2.299 351 HG2 ARG 44 1HG ARG 44 -13.551 -4.396 2.763 352 HG3 ARG 44 2HG ARG 44 -14.122 -5.068 1.234 353 HD2 ARG 44 1HD ARG 44 -15.677 -6.515 2.479 354 HD3 ARG 44 2HD ARG 44 -15.127 -5.784 3.986 355 HE ARG 44 HE ARG 44 -15.960 -3.701 2.379 356 HH11 ARG 44 2HH1 ARG 44 -17.370 -6.553 3.792 357 HH12 ARG 44 1HH1 ARG 44 -18.955 -5.865 3.920 358 HH21 ARG 44 2HH2 ARG 44 -18.043 -2.784 2.542 359 HH22 ARG 44 1HH2 ARG 44 -19.337 -3.721 3.208 360 H LEU 45 H LEU 45 -9.788 -6.923 3.267 361 HA LEU 45 HA LEU 45 -9.905 -9.763 3.224 362 HB2 LEU 45 1HB LEU 45 -7.778 -7.700 3.070 363 HB3 LEU 45 2HB LEU 45 -7.293 -9.337 3.508 364 HG LEU 45 HG LEU 45 -8.294 -10.162 1.406 365 HD11 LEU 45 1HD1 LEU 45 -8.432 -7.463 0.243 366 HD12 LEU 45 2HD1 LEU 45 -9.722 -7.875 1.373 367 HD13 LEU 45 3HD1 LEU 45 -9.439 -8.882 -0.046 368 HD21 LEU 45 1HD2 LEU 45 -5.889 -8.871 1.783 369 HD22 LEU 45 2HD2 LEU 45 -6.531 -8.118 0.323 370 HD23 LEU 45 3HD2 LEU 45 -6.327 -9.869 0.396 371 H LEU 46 H LEU 46 -8.304 -7.530 5.504 372 HA LEU 46 HA LEU 46 -8.147 -9.668 7.477 373 HB2 LEU 46 1HB LEU 46 -7.104 -6.840 7.521 374 HB3 LEU 46 2HB LEU 46 -6.837 -8.035 8.788 375 HG LEU 46 HG LEU 46 -5.950 -8.637 6.001 376 HD11 LEU 46 1HD1 LEU 46 -4.196 -7.238 5.998 377 HD12 LEU 46 2HD1 LEU 46 -3.947 -7.378 7.738 378 HD13 LEU 46 3HD1 LEU 46 -5.182 -6.287 7.109 379 HD21 LEU 46 1HD2 LEU 46 -5.122 -10.416 7.032 380 HD22 LEU 46 2HD2 LEU 46 -5.724 -9.819 8.579 381 HD23 LEU 46 3HD2 LEU 46 -4.111 -9.365 8.025 382 H LYS 47 H LYS 47 -10.470 -7.607 6.567 383 HA LYS 47 HA LYS 47 -12.343 -6.744 7.528 384 HB2 LYS 47 1HB LYS 47 -11.692 -8.560 9.852 385 HB3 LYS 47 2HB LYS 47 -13.270 -7.915 9.419 386 HG2 LYS 47 1HG LYS 47 -13.469 -10.010 8.567 387 HG3 LYS 47 2HG LYS 47 -12.783 -9.192 7.161 388 HD2 LYS 47 1HD LYS 47 -10.704 -10.154 7.452 389 HD3 LYS 47 2HD LYS 47 -10.959 -10.433 9.176 390 HE2 LYS 47 1HE LYS 47 -12.453 -11.886 7.000 391 HE3 LYS 47 2HE LYS 47 -10.979 -12.496 7.750 392 HZ1 LYS 47 1HZ LYS 47 -13.046 -11.703 9.609 393 HZ2 LYS 47 2HZ LYS 47 -12.069 -13.083 9.600 394 HZ3 LYS 47 3HZ LYS 47 -13.453 -13.022 8.631 395 H VAL 48 H VAL 48 -10.177 -5.125 7.800 396 HA VAL 48 HA VAL 48 -10.418 -4.083 10.548 397 HB VAL 48 HB VAL 48 -8.120 -3.771 8.612 398 HG11 VAL 48 1HG1 VAL 48 -7.051 -2.375 10.136 399 HG12 VAL 48 2HG1 VAL 48 -8.719 -1.799 10.161 400 HG13 VAL 48 3HG1 VAL 48 -8.123 -2.835 11.458 401 HG21 VAL 48 1HG2 VAL 48 -8.053 -5.083 11.311 402 HG22 VAL 48 2HG2 VAL 48 -8.457 -5.984 9.850 403 HG23 VAL 48 3HG2 VAL 48 -6.883 -5.202 9.997 404 HA PRO 49 HA PRO 49 -12.367 -0.522 8.819 405 HB2 PRO 49 1HB PRO 49 -11.997 1.176 10.905 406 HB3 PRO 49 2HB PRO 49 -13.180 -0.138 10.933 407 HG2 PRO 49 1HG PRO 49 -10.431 -0.038 12.114 408 HG3 PRO 49 2HG PRO 49 -11.928 -0.679 12.817 409 HD2 PRO 49 1HD PRO 49 -10.042 -2.273 11.705 410 HD3 PRO 49 2HD PRO 49 -11.773 -2.663 11.654 411 H VAL 50 H VAL 50 -11.564 0.805 7.328 412 HA VAL 50 HA VAL 50 -8.917 1.395 6.888 413 HB VAL 50 HB VAL 50 -11.404 2.896 6.109 414 HG11 VAL 50 1HG1 VAL 50 -9.758 4.605 6.192 415 HG12 VAL 50 2HG1 VAL 50 -8.545 3.563 5.445 416 HG13 VAL 50 3HG1 VAL 50 -9.919 4.136 4.500 417 HG21 VAL 50 1HG2 VAL 50 -11.292 1.761 4.136 418 HG22 VAL 50 2HG2 VAL 50 -9.534 1.629 4.182 419 HG23 VAL 50 3HG2 VAL 50 -10.524 0.570 5.185 420 H SER 51 H SER 51 -11.137 2.927 9.083 421 HA SER 51 HA SER 51 -9.788 5.358 9.487 422 HB2 SER 51 1HB SER 51 -11.739 3.746 11.090 423 HB3 SER 51 2HB SER 51 -10.938 5.124 11.845 424 HG SER 51 HG SER 51 -13.016 5.137 10.196 425 H GLU 52 H GLU 52 -9.324 2.157 10.852 426 HA GLU 52 HA GLU 52 -7.255 3.143 12.659 427 HB2 GLU 52 1HB GLU 52 -8.397 0.370 12.274 428 HB3 GLU 52 2HB GLU 52 -7.185 0.800 13.472 429 HG2 GLU 52 1HG GLU 52 -9.946 1.987 13.338 430 HG3 GLU 52 2HG GLU 52 -9.477 0.645 14.380 431 H LEU 53 H LEU 53 -7.628 0.975 9.885 432 HA LEU 53 HA LEU 53 -5.217 -0.186 9.605 433 HB2 LEU 53 1HB LEU 53 -7.088 1.016 7.633 434 HB3 LEU 53 2HB LEU 53 -5.507 0.489 7.060 435 HG LEU 53 HG LEU 53 -7.469 -1.297 8.494 436 HD11 LEU 53 1HD1 LEU 53 -6.946 -0.958 5.545 437 HD12 LEU 53 2HD1 LEU 53 -8.447 -0.612 6.403 438 HD13 LEU 53 3HD1 LEU 53 -7.877 -2.274 6.262 439 HD21 LEU 53 1HD2 LEU 53 -4.747 -1.625 7.369 440 HD22 LEU 53 2HD2 LEU 53 -5.889 -2.947 7.125 441 HD23 LEU 53 3HD2 LEU 53 -5.504 -2.404 8.759 442 H LEU 54 H LEU 54 -3.266 0.621 10.008 443 HA LEU 54 HA LEU 54 -2.638 3.351 9.133 444 HB2 LEU 54 1HB LEU 54 -1.066 1.564 10.979 445 HB3 LEU 54 2HB LEU 54 -0.789 3.278 10.674 446 HG LEU 54 HG LEU 54 -3.138 2.063 12.127 447 HD11 LEU 54 1HD1 LEU 54 -0.575 2.710 13.018 448 HD12 LEU 54 2HD1 LEU 54 -2.001 2.388 14.004 449 HD13 LEU 54 3HD1 LEU 54 -1.603 4.043 13.544 450 HD21 LEU 54 1HD2 LEU 54 -3.825 4.001 10.809 451 HD22 LEU 54 2HD2 LEU 54 -2.522 4.954 11.520 452 HD23 LEU 54 3HD2 LEU 54 -3.840 4.366 12.535 453 H LEU 55 H LEU 55 -1.952 3.285 7.071 454 HA LEU 55 HA LEU 55 -0.113 1.178 6.227 455 HB2 LEU 55 1HB LEU 55 -1.943 3.057 4.883 456 HB3 LEU 55 2HB LEU 55 -0.441 2.710 4.028 457 HG LEU 55 HG LEU 55 -0.987 0.312 4.078 458 HD11 LEU 55 1HD1 LEU 55 -3.475 1.283 5.460 459 HD12 LEU 55 2HD1 LEU 55 -2.302 0.099 6.034 460 HD13 LEU 55 3HD1 LEU 55 -3.356 -0.292 4.675 461 HD21 LEU 55 1HD2 LEU 55 -1.852 0.747 2.082 462 HD22 LEU 55 2HD2 LEU 55 -2.327 2.364 2.602 463 HD23 LEU 55 3HD2 LEU 55 -3.421 1.002 2.846 464 H SER 56 H SER 56 2.005 1.486 5.915 465 HA SER 56 HA SER 56 3.052 4.202 5.651 466 HB2 SER 56 1HB SER 56 4.919 3.390 7.318 467 HB3 SER 56 2HB SER 56 3.407 4.053 7.938 468 HG SER 56 HG SER 56 3.992 1.295 7.597 469 H TYR 57 H TYR 57 4.356 4.245 3.957 470 HA TYR 57 HA TYR 57 5.549 1.755 3.000 471 HB2 TYR 57 1HB TYR 57 5.603 2.687 0.894 472 HB3 TYR 57 2HB TYR 57 4.223 3.538 1.579 473 HD1 TYR 57 1HD TYR 57 4.661 5.853 2.608 474 HD2 TYR 57 2HD TYR 57 7.411 3.884 0.027 475 HE1 TYR 57 1HE TYR 57 5.745 8.008 2.129 476 HE2 TYR 57 2HE TYR 57 8.504 6.033 -0.458 477 HH TYR 57 HH TYR 57 7.782 8.905 1.322 478 H GLU 58 H GLU 58 7.725 1.434 2.770 479 HA GLU 58 HA GLU 58 9.439 3.298 4.236 480 HB2 GLU 58 1HB GLU 58 9.315 0.743 4.662 481 HB3 GLU 58 2HB GLU 58 10.301 0.608 3.213 482 HG2 GLU 58 1HG GLU 58 11.932 2.176 4.315 483 HG3 GLU 58 2HG GLU 58 10.995 1.976 5.795 484 H SER 59 H SER 59 10.622 4.715 3.156 485 HA SER 59 HA SER 59 10.973 4.486 0.302 486 HB2 SER 59 1HB SER 59 11.857 6.574 2.303 487 HB3 SER 59 2HB SER 59 12.175 6.686 0.572 488 HG SER 59 HG SER 59 10.291 7.649 0.605 489 H SER 60 H SER 60 12.680 3.683 -0.727 490 HA SER 60 HA SER 60 14.702 2.256 0.507 491 HB2 SER 60 1HB SER 60 14.144 1.951 -1.850 492 HB3 SER 60 2HB SER 60 14.738 3.570 -2.222 493 HG SER 60 HG SER 60 16.356 1.550 -1.069 494 H LYS 61 H LYS 61 15.075 5.428 -1.087 495 HA LYS 61 HA LYS 61 17.642 6.035 -0.489 496 HB2 LYS 61 1HB LYS 61 15.315 7.949 -0.230 497 HB3 LYS 61 2HB LYS 61 16.999 8.405 -0.450 498 HG2 LYS 61 1HG LYS 61 17.022 7.799 -2.657 499 HG3 LYS 61 2HG LYS 61 15.732 6.610 -2.457 500 HD2 LYS 61 1HD LYS 61 14.276 8.714 -1.920 501 HD3 LYS 61 2HD LYS 61 15.552 9.575 -2.785 502 HE2 LYS 61 1HE LYS 61 13.850 9.036 -4.364 503 HE3 LYS 61 2HE LYS 61 15.224 7.979 -4.683 504 HZ1 LYS 61 1HZ LYS 61 12.623 7.208 -4.266 505 HZ2 LYS 61 2HZ LYS 61 13.417 6.799 -2.830 506 HZ3 LYS 61 3HZ LYS 61 13.980 6.198 -4.307 507 H MET 62 H MET 62 14.891 6.308 1.721 508 HA MET 62 HA MET 62 16.805 6.726 3.923 509 HB2 MET 62 1HB MET 62 14.138 7.913 3.358 510 HB3 MET 62 2HB MET 62 14.528 7.572 5.039 511 HG2 MET 62 1HG MET 62 16.114 9.305 3.158 512 HG3 MET 62 2HG MET 62 15.080 9.857 4.474 513 HE1 MET 62 1HE MET 62 17.950 10.267 3.468 514 HE2 MET 62 2HE MET 62 18.765 10.664 4.981 515 HE3 MET 62 3HE MET 62 19.191 9.190 4.109 516 HA PRO 63 HA PRO 63 14.959 2.577 4.628 517 HB2 PRO 63 1HB PRO 63 17.206 1.537 5.742 518 HB3 PRO 63 2HB PRO 63 16.936 1.593 3.996 519 HG2 PRO 63 1HG PRO 63 18.554 3.428 5.722 520 HG3 PRO 63 2HG PRO 63 18.949 2.750 4.132 521 HD2 PRO 63 1HD PRO 63 18.036 5.279 4.451 522 HD3 PRO 63 2HD PRO 63 17.673 4.307 3.011 523 H GLY 64 H GLY 64 13.901 2.025 6.443 524 HA2 GLY 64 1HA GLY 64 13.608 1.701 8.751 525 HA3 GLY 64 2HA GLY 64 14.984 2.753 9.051 526 H ARG 65 H ARG 65 13.578 4.630 7.004 527 HA ARG 65 HA ARG 65 11.979 5.991 9.045 528 HB2 ARG 65 1HB ARG 65 13.874 7.175 7.875 529 HB3 ARG 65 2HB ARG 65 12.926 7.089 6.397 530 HG2 ARG 65 1HG ARG 65 11.203 8.458 7.354 531 HG3 ARG 65 2HG ARG 65 12.005 8.434 8.926 532 HD2 ARG 65 1HD ARG 65 13.489 9.436 6.540 533 HD3 ARG 65 2HD ARG 65 12.289 10.476 7.306 534 HE ARG 65 HE ARG 65 14.887 9.870 8.283 535 HH11 ARG 65 2HH1 ARG 65 11.621 10.515 9.300 536 HH12 ARG 65 1HH1 ARG 65 12.087 11.138 10.848 537 HH21 ARG 65 2HH2 ARG 65 15.514 10.689 10.318 538 HH22 ARG 65 1HH2 ARG 65 14.302 11.238 11.425 539 H GLU 66 H GLU 66 10.070 4.774 8.862 540 HA GLU 66 HA GLU 66 8.736 4.488 6.332 541 HB2 GLU 66 1HB GLU 66 7.544 4.074 9.073 542 HB3 GLU 66 2HB GLU 66 7.001 3.382 7.552 543 HG2 GLU 66 1HG GLU 66 8.658 1.808 7.510 544 HG3 GLU 66 2HG GLU 66 9.760 2.783 8.481 545 H ILE 67 H ILE 67 6.773 5.460 5.711 546 HA ILE 67 HA ILE 67 6.239 8.036 7.039 547 HB ILE 67 HB ILE 67 6.091 7.277 4.130 548 HG12 ILE 67 1HG1 ILE 67 7.381 9.582 4.129 549 HG13 ILE 67 2HG1 ILE 67 7.699 9.160 5.807 550 HG21 ILE 67 1HG2 ILE 67 4.295 8.579 3.929 551 HG22 ILE 67 2HG2 ILE 67 4.436 9.155 5.589 552 HG23 ILE 67 3HG2 ILE 67 5.355 9.938 4.303 553 HD11 ILE 67 1HD1 ILE 67 9.536 8.283 4.776 554 HD12 ILE 67 2HD1 ILE 67 8.461 6.885 4.763 555 HD13 ILE 67 3HD1 ILE 67 8.652 7.864 3.309 556 H GLU 68 H GLU 68 4.529 7.634 8.331 557 HA GLU 68 HA GLU 68 2.437 5.832 7.734 558 HB2 GLU 68 1HB GLU 68 1.257 6.923 9.628 559 HB3 GLU 68 2HB GLU 68 2.899 6.436 10.023 560 HG2 GLU 68 1HG GLU 68 3.501 8.877 9.387 561 HG3 GLU 68 2HG GLU 68 1.781 9.174 9.635 562 H LEU 69 H LEU 69 1.105 6.076 6.064 563 HA LEU 69 HA LEU 69 0.469 8.631 4.944 564 HB2 LEU 69 1HB LEU 69 -0.968 6.055 4.378 565 HB3 LEU 69 2HB LEU 69 -0.772 7.452 3.321 566 HG LEU 69 HG LEU 69 1.531 5.707 4.167 567 HD11 LEU 69 1HD1 LEU 69 1.323 4.520 2.096 568 HD12 LEU 69 2HD1 LEU 69 -0.054 5.508 1.613 569 HD13 LEU 69 3HD1 LEU 69 -0.203 4.393 2.971 570 HD21 LEU 69 1HD2 LEU 69 1.411 8.185 2.909 571 HD22 LEU 69 2HD2 LEU 69 1.682 7.030 1.603 572 HD23 LEU 69 3HD2 LEU 69 2.794 7.092 2.971 573 H GLU 70 H GLU 70 -0.895 9.999 5.877 574 HA GLU 70 HA GLU 70 -3.124 8.947 7.463 575 HB2 GLU 70 1HB GLU 70 -3.284 11.154 8.442 576 HB3 GLU 70 2HB GLU 70 -1.618 10.600 8.524 577 HG2 GLU 70 1HG GLU 70 -1.165 11.942 6.461 578 HG3 GLU 70 2HG GLU 70 -2.785 12.616 6.626 579 H ASN 71 H ASN 71 -2.465 11.390 4.960 580 HA ASN 71 HA ASN 71 -5.136 12.087 4.465 581 HB2 ASN 71 1HB ASN 71 -2.847 13.133 3.646 582 HB3 ASN 71 2HB ASN 71 -3.145 12.119 2.236 583 HD21 ASN 71 1HD2 ASN 71 -3.389 15.132 3.195 584 HD22 ASN 71 2HD2 ASN 71 -4.820 15.640 2.371 585 H ASP 72 H ASP 72 -6.703 10.767 3.836 586 HA ASP 72 HA ASP 72 -6.091 8.394 2.266 587 HB2 ASP 72 1HB ASP 72 -8.883 9.119 3.035 588 HB3 ASP 72 2HB ASP 72 -8.112 7.537 2.969 589 H LEU 73 H LEU 73 -7.144 11.581 1.761 590 HA LEU 73 HA LEU 73 -8.510 10.945 -0.740 591 HB2 LEU 73 1HB LEU 73 -8.217 13.411 0.926 592 HB3 LEU 73 2HB LEU 73 -8.707 13.536 -0.762 593 HG LEU 73 HG LEU 73 -10.179 12.129 1.462 594 HD11 LEU 73 1HD1 LEU 73 -10.792 14.302 1.724 595 HD12 LEU 73 2HD1 LEU 73 -11.937 13.842 0.465 596 HD13 LEU 73 3HD1 LEU 73 -10.466 14.717 0.041 597 HD21 LEU 73 1HD2 LEU 73 -10.274 11.761 -1.423 598 HD22 LEU 73 2HD2 LEU 73 -11.835 12.211 -0.737 599 HD23 LEU 73 3HD2 LEU 73 -10.982 10.790 -0.132 600 H GLN 74 H GLN 74 -5.485 10.848 -0.080 601 HA GLN 74 HA GLN 74 -4.624 12.423 -2.417 602 HB2 GLN 74 1HB GLN 74 -3.109 11.769 0.112 603 HB3 GLN 74 2HB GLN 74 -2.359 12.454 -1.323 604 HG2 GLN 74 1HG GLN 74 -4.709 13.832 -0.126 605 HG3 GLN 74 2HG GLN 74 -3.135 13.978 0.653 606 HE21 GLN 74 1HE2 GLN 74 -2.714 16.072 0.208 607 HE22 GLN 74 2HE2 GLN 74 -2.520 16.707 -1.387 608 HA PRO 75 HA PRO 75 -3.505 8.574 -4.251 609 HB2 PRO 75 1HB PRO 75 -1.830 9.525 -6.165 610 HB3 PRO 75 2HB PRO 75 -3.588 9.688 -6.259 611 HG2 PRO 75 1HG PRO 75 -1.544 11.691 -5.381 612 HG3 PRO 75 2HG PRO 75 -2.964 11.922 -6.418 613 HD2 PRO 75 1HD PRO 75 -2.945 12.608 -3.798 614 HD3 PRO 75 2HD PRO 75 -4.409 12.039 -4.625 615 H LEU 76 H LEU 76 -1.646 7.209 -4.636 616 HA LEU 76 HA LEU 76 0.227 7.237 -2.556 617 HB2 LEU 76 1HB LEU 76 0.113 5.767 -5.171 618 HB3 LEU 76 2HB LEU 76 1.439 5.538 -4.033 619 HG LEU 76 HG LEU 76 -0.257 3.771 -3.868 620 HD11 LEU 76 1HD1 LEU 76 -0.522 3.825 -1.462 621 HD12 LEU 76 2HD1 LEU 76 -0.177 5.554 -1.438 622 HD13 LEU 76 3HD1 LEU 76 1.081 4.411 -1.909 623 HD21 LEU 76 1HD2 LEU 76 -2.474 4.230 -3.053 624 HD22 LEU 76 2HD2 LEU 76 -2.192 5.179 -4.513 625 HD23 LEU 76 3HD2 LEU 76 -2.115 5.952 -2.930 626 H GLN 77 H GLN 77 0.347 8.545 -5.799 627 HA GLN 77 HA GLN 77 3.112 8.959 -6.011 628 HB2 GLN 77 1HB GLN 77 2.077 9.295 -8.027 629 HB3 GLN 77 2HB GLN 77 0.690 10.099 -7.305 630 HG2 GLN 77 1HG GLN 77 3.403 11.374 -7.460 631 HG3 GLN 77 2HG GLN 77 2.203 11.517 -8.743 632 HE21 GLN 77 1HE2 GLN 77 3.477 13.241 -6.436 633 HE22 GLN 77 2HE2 GLN 77 2.116 14.144 -5.873 634 H PHE 78 H PHE 78 0.590 10.814 -4.433 635 HA PHE 78 HA PHE 78 1.931 13.221 -4.037 636 HB2 PHE 78 1HB PHE 78 -0.469 12.852 -3.543 637 HB3 PHE 78 2HB PHE 78 -0.014 11.883 -2.145 638 HD1 PHE 78 2HD PHE 78 0.334 15.283 -3.599 639 HD2 PHE 78 1HD PHE 78 0.311 12.889 -0.080 640 HE1 PHE 78 2HE PHE 78 0.400 17.318 -2.219 641 HE2 PHE 78 1HE PHE 78 0.376 14.921 1.306 642 HZ PHE 78 HZ PHE 78 0.422 17.139 0.238 643 H TYR 79 H TYR 79 2.379 10.136 -2.545 644 HA TYR 79 HA TYR 79 4.058 11.288 -0.439 645 HB2 TYR 79 1HB TYR 79 2.904 8.537 -0.868 646 HB3 TYR 79 2HB TYR 79 4.137 8.855 0.347 647 HD1 TYR 79 1HD TYR 79 0.642 9.390 -0.606 648 HD2 TYR 79 2HD TYR 79 3.620 10.147 2.337 649 HE1 TYR 79 1HE TYR 79 -1.108 10.087 0.976 650 HE2 TYR 79 2HE TYR 79 1.878 10.846 3.928 651 HH TYR 79 HH TYR 79 -1.382 11.380 2.965 652 H SER 80 H SER 80 4.722 11.047 -3.380 653 HA SER 80 HA SER 80 6.492 10.510 -4.709 654 HB2 SER 80 1HB SER 80 7.579 11.855 -2.840 655 HB3 SER 80 2HB SER 80 8.082 10.312 -2.148 656 HG SER 80 HG SER 80 9.714 11.132 -3.474 657 H VAL 81 H VAL 81 4.852 8.326 -3.798 658 HA VAL 81 HA VAL 81 6.654 6.119 -3.262 659 HB VAL 81 HB VAL 81 3.674 6.160 -3.756 660 HG11 VAL 81 1HG1 VAL 81 4.772 3.827 -2.411 661 HG12 VAL 81 2HG1 VAL 81 3.633 3.928 -3.756 662 HG13 VAL 81 3HG1 VAL 81 5.369 4.008 -4.060 663 HG21 VAL 81 1HG2 VAL 81 3.356 6.297 -1.514 664 HG22 VAL 81 2HG2 VAL 81 4.839 5.421 -1.138 665 HG23 VAL 81 3HG2 VAL 81 4.912 7.123 -1.591 666 H GLU 82 H GLU 82 7.375 4.648 -4.698 667 HA GLU 82 HA GLU 82 6.228 4.578 -7.385 668 HB2 GLU 82 1HB GLU 82 8.519 4.635 -8.383 669 HB3 GLU 82 2HB GLU 82 8.013 6.154 -7.657 670 HG2 GLU 82 1HG GLU 82 9.310 5.549 -5.628 671 HG3 GLU 82 2HG GLU 82 9.907 4.131 -6.488 672 H ASN 83 H ASN 83 6.681 2.656 -8.551 673 HA ASN 83 HA ASN 83 6.471 0.292 -7.281 674 HB2 ASN 83 1HB ASN 83 7.480 -0.790 -9.279 675 HB3 ASN 83 2HB ASN 83 6.299 0.450 -9.695 676 HD21 ASN 83 1HD2 ASN 83 8.544 -0.667 -11.223 677 HD22 ASN 83 2HD2 ASN 83 9.520 0.687 -11.672 678 H GLY 84 H GLY 84 7.754 -1.230 -6.321 679 HA2 GLY 84 1HA GLY 84 9.967 -2.200 -5.984 680 HA3 GLY 84 2HA GLY 84 10.621 -0.570 -6.058 681 H ASP 85 H ASP 85 9.086 0.851 -4.369 682 HA ASP 85 HA ASP 85 10.125 0.417 -1.881 683 HB2 ASP 85 1HB ASP 85 8.657 2.042 -1.074 684 HB3 ASP 85 2HB ASP 85 8.734 2.407 -2.795 685 H CYS 86 H CYS 86 8.905 -0.121 0.166 686 HA CYS 86 HA CYS 86 7.446 -2.638 -0.251 687 HB2 CYS 86 1HB CYS 86 9.124 -1.633 2.046 688 HB3 CYS 86 2HB CYS 86 8.083 -3.045 2.185 689 HG CYS 86 HG CYS 86 9.437 -4.609 0.405 690 H LEU 87 H LEU 87 5.539 -3.065 0.854 691 HA LEU 87 HA LEU 87 4.193 -0.681 1.929 692 HB2 LEU 87 1HB LEU 87 3.244 -3.089 0.446 693 HB3 LEU 87 2HB LEU 87 2.132 -2.252 1.527 694 HG LEU 87 HG LEU 87 3.528 -1.042 -0.860 695 HD11 LEU 87 1HD1 LEU 87 0.605 -1.650 -0.470 696 HD12 LEU 87 2HD1 LEU 87 1.719 -2.689 -1.358 697 HD13 LEU 87 3HD1 LEU 87 1.396 -1.052 -1.928 698 HD21 LEU 87 1HD2 LEU 87 1.599 0.102 1.150 699 HD22 LEU 87 2HD2 LEU 87 1.939 0.849 -0.411 700 HD23 LEU 87 3HD2 LEU 87 3.230 0.660 0.776 701 H LEU 88 H LEU 88 4.023 -0.604 4.061 702 HA LEU 88 HA LEU 88 3.972 -3.121 5.577 703 HB2 LEU 88 1HB LEU 88 4.542 -0.339 6.583 704 HB3 LEU 88 2HB LEU 88 4.716 -1.843 7.483 705 HG LEU 88 HG LEU 88 6.329 -1.363 5.005 706 HD11 LEU 88 1HD1 LEU 88 6.448 0.526 6.829 707 HD12 LEU 88 2HD1 LEU 88 7.911 -0.100 6.067 708 HD13 LEU 88 3HD1 LEU 88 7.444 -0.661 7.673 709 HD21 LEU 88 1HD2 LEU 88 7.160 -2.808 7.489 710 HD22 LEU 88 2HD2 LEU 88 7.713 -3.028 5.829 711 HD23 LEU 88 3HD2 LEU 88 6.111 -3.591 6.307 712 H VAL 89 H VAL 89 1.937 -3.747 5.931 713 HA VAL 89 HA VAL 89 -0.165 -1.786 6.373 714 HB VAL 89 HB VAL 89 -0.264 -4.800 6.211 715 HG11 VAL 89 1HG1 VAL 89 -2.272 -2.805 7.021 716 HG12 VAL 89 2HG1 VAL 89 -2.817 -4.002 5.844 717 HG13 VAL 89 3HG1 VAL 89 -2.162 -4.525 7.396 718 HG21 VAL 89 1HG2 VAL 89 -1.254 -2.712 4.274 719 HG22 VAL 89 2HG2 VAL 89 0.259 -3.603 4.104 720 HG23 VAL 89 3HG2 VAL 89 -1.280 -4.462 4.051 721 H ARG 90 H ARG 90 -1.357 -1.571 8.250 722 HA ARG 90 HA ARG 90 -0.904 -3.231 10.543 723 HB2 ARG 90 1HB ARG 90 1.089 -1.585 10.387 724 HB3 ARG 90 2HB ARG 90 -0.074 -0.364 10.886 725 HG2 ARG 90 1HG ARG 90 -0.270 -1.208 12.997 726 HG3 ARG 90 2HG ARG 90 0.128 -2.852 12.495 727 HD2 ARG 90 1HD ARG 90 2.460 -1.712 11.947 728 HD3 ARG 90 2HD ARG 90 1.916 -0.583 13.187 729 HE ARG 90 HE ARG 90 1.707 -3.355 13.940 730 HH11 ARG 90 2HH1 ARG 90 3.753 -0.540 13.855 731 HH12 ARG 90 1HH1 ARG 90 4.763 -1.074 15.158 732 HH21 ARG 90 2HH2 ARG 90 3.028 -4.069 15.657 733 HH22 ARG 90 1HH2 ARG 90 4.350 -3.081 16.181 734 H TRP 91 H TRP 91 -1.934 -2.011 12.559 735 HA TRP 91 HA TRP 91 -3.985 -0.127 12.062 736 HB2 TRP 91 1HB TRP 91 -5.946 -1.583 12.329 737 HB3 TRP 91 2HB TRP 91 -5.031 -2.003 10.883 738 HD1 TRP 91 HD TRP 91 -5.777 -3.311 14.423 739 HE1 TRP 91 1HE TRP 91 -5.295 -5.839 14.471 740 HE3 TRP 91 3HE TRP 91 -3.741 -3.837 9.764 741 HZ2 TRP 91 2HZ TRP 91 -4.196 -7.797 12.760 742 HZ3 TRP 91 3HZ TRP 91 -2.999 -6.070 9.046 743 HH2 TRP 91 HH TRP 91 -3.222 -8.008 10.515 744 H SER 92 H SER 92 -5.536 -0.013 13.978 745 HA SER 92 HA SER 92 -4.450 -1.144 16.435 746 HB2 SER 92 1HB SER 92 -3.817 0.821 17.432 747 HB3 SER 92 2HB SER 92 -3.487 1.257 15.756 748 HG SER 92 HG SER 92 -5.680 2.126 15.741 749 H GLY 93 H GLY 93 -5.871 -0.778 18.304 750 HA2 GLY 93 1HA GLY 93 -8.059 0.117 19.041 751 HA3 GLY 93 2HA GLY 93 -8.670 -0.341 17.458 752 HA PRO 94 HA PRO 94 -8.463 -3.991 20.669 753 HB2 PRO 94 1HB PRO 94 -10.305 -3.382 22.568 754 HB3 PRO 94 2HB PRO 94 -8.589 -2.991 22.733 755 HG2 PRO 94 1HG PRO 94 -10.860 -1.233 21.888 756 HG3 PRO 94 2HG PRO 94 -9.514 -0.872 22.985 757 HD2 PRO 94 1HD PRO 94 -9.552 -0.049 20.406 758 HD3 PRO 94 2HD PRO 94 -8.048 -0.462 21.254 759 H SER 95 H SER 95 -10.679 -2.275 18.854 760 HA SER 95 HA SER 95 -13.144 -3.343 19.144 761 HB2 SER 95 1HB SER 95 -13.486 -3.065 16.753 762 HB3 SER 95 2HB SER 95 -12.481 -1.746 17.353 763 HG SER 95 HG SER 95 -11.385 -4.098 16.226 764 H SER 96 H SER 96 -14.069 -5.286 19.091 765 HA SER 96 HA SER 96 -12.878 -7.455 17.564 766 HB2 SER 96 1HB SER 96 -11.718 -7.873 19.573 767 HB3 SER 96 2HB SER 96 -13.113 -7.454 20.567 768 HG SER 96 HG SER 96 -13.326 -9.602 18.783 769 H GLY 97 H GLY 97 -14.440 -8.523 16.549 770 HA2 GLY 97 1HA GLY 97 -16.456 -9.684 16.319 771 HA3 GLY 97 2HA GLY 97 -16.975 -9.045 17.872 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.809 16.598 -20.410 2 HA2 GLY 1 1HA GLY 1 4.691 16.390 -20.565 3 HA3 GLY 1 2HA GLY 1 3.903 14.986 -19.860 4 H SER 2 H SER 2 5.183 16.072 -22.622 5 HA SER 2 HA SER 2 3.458 15.713 -24.697 6 HB2 SER 2 1HB SER 2 5.406 14.852 -26.004 7 HB3 SER 2 2HB SER 2 5.772 16.311 -25.083 8 HG SER 2 HG SER 2 7.391 14.676 -24.886 9 H SER 3 H SER 3 5.276 13.114 -23.076 10 HA SER 3 HA SER 3 4.415 10.939 -24.496 11 HB2 SER 3 1HB SER 3 6.062 10.787 -22.685 12 HB3 SER 3 2HB SER 3 4.797 11.097 -21.496 13 HG SER 3 HG SER 3 4.908 8.939 -21.531 14 H GLY 4 H GLY 4 2.751 9.358 -24.147 15 HA2 GLY 4 1HA GLY 4 0.268 10.587 -23.129 16 HA3 GLY 4 2HA GLY 4 0.337 9.388 -24.413 17 H SER 5 H SER 5 1.404 9.707 -21.023 18 HA SER 5 HA SER 5 0.277 7.028 -20.536 19 HB2 SER 5 1HB SER 5 2.699 6.840 -20.545 20 HB3 SER 5 2HB SER 5 2.841 8.189 -19.419 21 HG SER 5 HG SER 5 2.052 6.948 -17.809 22 H SER 6 H SER 6 -1.586 7.578 -19.530 23 HA SER 6 HA SER 6 -1.562 9.596 -17.428 24 HB2 SER 6 1HB SER 6 -3.736 8.096 -18.868 25 HB3 SER 6 2HB SER 6 -4.079 8.978 -17.380 26 HG SER 6 HG SER 6 -4.139 10.014 -19.689 27 H GLY 7 H GLY 7 -0.527 8.702 -15.687 28 HA2 GLY 7 1HA GLY 7 -0.412 7.527 -13.712 29 HA3 GLY 7 2HA GLY 7 -2.036 6.940 -14.040 30 H GLN 8 H GLN 8 0.109 5.434 -12.895 31 HA GLN 8 HA GLN 8 0.086 3.200 -14.746 32 HB2 GLN 8 1HB GLN 8 2.512 2.826 -14.586 33 HB3 GLN 8 2HB GLN 8 2.136 4.349 -15.382 34 HG2 GLN 8 1HG GLN 8 2.717 4.279 -12.453 35 HG3 GLN 8 2HG GLN 8 4.029 4.261 -13.630 36 HE21 GLN 8 1HE2 GLN 8 3.173 6.279 -11.632 37 HE22 GLN 8 2HE2 GLN 8 2.964 7.741 -12.528 38 H LEU 9 H LEU 9 0.905 1.194 -13.719 39 HA LEU 9 HA LEU 9 0.044 1.113 -10.942 40 HB2 LEU 9 1HB LEU 9 0.438 -0.873 -13.113 41 HB3 LEU 9 2HB LEU 9 0.583 -1.437 -11.450 42 HG LEU 9 HG LEU 9 -1.767 -0.155 -11.275 43 HD11 LEU 9 1HD1 LEU 9 -1.346 -0.771 -14.150 44 HD12 LEU 9 2HD1 LEU 9 -2.229 0.554 -13.392 45 HD13 LEU 9 3HD1 LEU 9 -2.943 -1.057 -13.457 46 HD21 LEU 9 1HD2 LEU 9 -1.589 -2.362 -10.521 47 HD22 LEU 9 2HD2 LEU 9 -1.135 -2.967 -12.115 48 HD23 LEU 9 3HD2 LEU 9 -2.791 -2.438 -11.810 49 H LEU 10 H LEU 10 1.305 0.534 -9.223 50 HA LEU 10 HA LEU 10 4.199 0.404 -9.740 51 HB2 LEU 10 1HB LEU 10 3.122 0.975 -7.031 52 HB3 LEU 10 2HB LEU 10 4.595 1.555 -7.804 53 HG LEU 10 HG LEU 10 1.789 2.556 -8.274 54 HD11 LEU 10 1HD1 LEU 10 3.208 4.699 -7.549 55 HD12 LEU 10 2HD1 LEU 10 4.098 3.460 -6.665 56 HD13 LEU 10 3HD1 LEU 10 2.369 3.667 -6.391 57 HD21 LEU 10 1HD2 LEU 10 3.666 4.261 -9.463 58 HD22 LEU 10 2HD2 LEU 10 2.474 3.243 -10.271 59 HD23 LEU 10 3HD2 LEU 10 4.102 2.631 -9.976 60 H THR 11 H THR 11 5.436 -1.199 -8.845 61 HA THR 11 HA THR 11 3.952 -3.480 -7.750 62 HB THR 11 HB THR 11 6.789 -3.452 -8.792 63 HG1 THR 11 1HG THR 11 4.319 -3.680 -10.081 64 HG21 THR 11 1HG2 THR 11 4.918 -5.560 -7.811 65 HG22 THR 11 2HG2 THR 11 6.653 -5.381 -7.545 66 HG23 THR 11 3HG2 THR 11 6.054 -5.961 -9.099 67 H LEU 12 H LEU 12 3.832 -3.288 -5.585 68 HA LEU 12 HA LEU 12 6.362 -2.898 -4.125 69 HB2 LEU 12 1HB LEU 12 3.665 -2.116 -3.061 70 HB3 LEU 12 2HB LEU 12 5.254 -1.680 -2.435 71 HG LEU 12 HG LEU 12 4.386 -0.736 -5.141 72 HD11 LEU 12 1HD1 LEU 12 2.558 0.012 -3.895 73 HD12 LEU 12 2HD1 LEU 12 3.672 1.379 -3.895 74 HD13 LEU 12 3HD1 LEU 12 3.546 0.345 -2.472 75 HD21 LEU 12 1HD2 LEU 12 5.820 1.194 -3.710 76 HD22 LEU 12 2HD2 LEU 12 6.400 0.192 -5.040 77 HD23 LEU 12 3HD2 LEU 12 6.617 -0.343 -3.373 78 H LYS 13 H LYS 13 6.205 -3.770 -1.830 79 HA LYS 13 HA LYS 13 4.876 -6.394 -1.925 80 HB2 LYS 13 1HB LYS 13 7.407 -5.449 -0.606 81 HB3 LYS 13 2HB LYS 13 6.602 -6.918 -0.074 82 HG2 LYS 13 1HG LYS 13 7.036 -8.032 -2.053 83 HG3 LYS 13 2HG LYS 13 7.276 -6.536 -2.959 84 HD2 LYS 13 1HD LYS 13 9.407 -6.194 -2.049 85 HD3 LYS 13 2HD LYS 13 9.122 -7.329 -0.728 86 HE2 LYS 13 1HE LYS 13 9.382 -9.188 -2.112 87 HE3 LYS 13 2HE LYS 13 9.117 -8.249 -3.580 88 HZ1 LYS 13 1HZ LYS 13 11.545 -8.592 -2.008 89 HZ2 LYS 13 2HZ LYS 13 11.290 -7.058 -2.671 90 HZ3 LYS 13 3HZ LYS 13 11.353 -8.414 -3.679 91 H ILE 14 H ILE 14 3.543 -7.039 -0.302 92 HA ILE 14 HA ILE 14 2.951 -5.037 1.774 93 HB ILE 14 HB ILE 14 1.153 -7.192 0.658 94 HG12 ILE 14 1HG1 ILE 14 -0.142 -4.979 0.033 95 HG13 ILE 14 2HG1 ILE 14 1.464 -4.264 0.127 96 HG21 ILE 14 1HG2 ILE 14 1.023 -6.223 3.161 97 HG22 ILE 14 2HG2 ILE 14 0.060 -5.012 2.315 98 HG23 ILE 14 3HG2 ILE 14 -0.393 -6.714 2.232 99 HD11 ILE 14 1HD1 ILE 14 0.730 -6.608 -1.610 100 HD12 ILE 14 2HD1 ILE 14 0.824 -4.932 -2.152 101 HD13 ILE 14 3HD1 ILE 14 2.273 -5.755 -1.576 102 H LYS 15 H LYS 15 3.182 -5.554 3.860 103 HA LYS 15 HA LYS 15 3.186 -8.333 4.711 104 HB2 LYS 15 1HB LYS 15 5.506 -8.086 4.179 105 HB3 LYS 15 2HB LYS 15 5.585 -6.522 4.980 106 HG2 LYS 15 1HG LYS 15 4.943 -7.842 7.106 107 HG3 LYS 15 2HG LYS 15 5.461 -9.255 6.183 108 HD2 LYS 15 1HD LYS 15 7.663 -8.498 6.035 109 HD3 LYS 15 2HD LYS 15 7.215 -6.832 6.409 110 HE2 LYS 15 1HE LYS 15 6.539 -7.673 8.699 111 HE3 LYS 15 2HE LYS 15 7.331 -9.190 8.277 112 HZ1 LYS 15 1HZ LYS 15 9.013 -6.958 7.746 113 HZ2 LYS 15 2HZ LYS 15 9.308 -8.316 8.709 114 HZ3 LYS 15 3HZ LYS 15 8.520 -6.970 9.364 115 H CYS 16 H CYS 16 2.039 -8.469 6.516 116 HA CYS 16 HA CYS 16 1.253 -6.119 7.953 117 HB2 CYS 16 1HB CYS 16 0.737 -9.060 8.409 118 HB3 CYS 16 2HB CYS 16 0.084 -7.797 9.445 119 HG CYS 16 HG CYS 16 -2.079 -7.688 8.071 120 H SER 17 H SER 17 2.671 -5.138 9.245 121 HA SER 17 HA SER 17 4.917 -6.278 10.429 122 HB2 SER 17 1HB SER 17 3.318 -3.834 11.210 123 HB3 SER 17 2HB SER 17 4.863 -4.260 11.945 124 HG SER 17 HG SER 17 4.423 -2.969 9.663 125 H ASN 18 H ASN 18 1.655 -5.819 11.718 126 HA ASN 18 HA ASN 18 2.234 -6.744 14.333 127 HB2 ASN 18 1HB ASN 18 -0.272 -7.030 14.484 128 HB3 ASN 18 2HB ASN 18 0.270 -5.419 14.022 129 HD21 ASN 18 1HD2 ASN 18 -2.084 -7.459 13.467 130 HD22 ASN 18 2HD2 ASN 18 -2.406 -7.170 11.795 131 H GLN 19 H GLN 19 2.126 -8.362 11.411 132 HA GLN 19 HA GLN 19 1.772 -10.937 12.790 133 HB2 GLN 19 1HB GLN 19 0.833 -10.271 9.995 134 HB3 GLN 19 2HB GLN 19 0.718 -11.846 10.768 135 HG2 GLN 19 1HG GLN 19 -0.545 -9.471 12.054 136 HG3 GLN 19 2HG GLN 19 -1.342 -10.270 10.700 137 HE21 GLN 19 1HE2 GLN 19 -1.831 -12.538 10.920 138 HE22 GLN 19 2HE2 GLN 19 -2.147 -13.196 12.485 139 HA PRO 20 HA PRO 20 5.943 -11.010 10.962 140 HB2 PRO 20 1HB PRO 20 6.919 -12.796 12.758 141 HB3 PRO 20 2HB PRO 20 6.812 -11.063 13.089 142 HG2 PRO 20 1HG PRO 20 4.970 -13.269 13.927 143 HG3 PRO 20 2HG PRO 20 5.570 -11.893 14.871 144 HD2 PRO 20 1HD PRO 20 3.099 -11.933 13.765 145 HD3 PRO 20 2HD PRO 20 4.033 -10.436 13.961 146 H GLU 21 H GLU 21 3.815 -13.661 11.892 147 HA GLU 21 HA GLU 21 5.191 -15.686 10.450 148 HB2 GLU 21 1HB GLU 21 2.525 -15.436 11.759 149 HB3 GLU 21 2HB GLU 21 2.758 -16.740 10.605 150 HG2 GLU 21 1HG GLU 21 4.332 -17.800 11.912 151 HG3 GLU 21 2HG GLU 21 4.741 -16.330 12.793 152 H ARG 22 H ARG 22 2.299 -13.748 9.725 153 HA ARG 22 HA ARG 22 1.515 -14.783 7.335 154 HB2 ARG 22 1HB ARG 22 1.600 -11.956 8.335 155 HB3 ARG 22 2HB ARG 22 1.018 -12.302 6.712 156 HG2 ARG 22 1HG ARG 22 -0.516 -14.021 7.928 157 HG3 ARG 22 2HG ARG 22 -0.172 -13.029 9.346 158 HD2 ARG 22 1HD ARG 22 -1.231 -11.173 8.466 159 HD3 ARG 22 2HD ARG 22 -1.042 -11.728 6.803 160 HE ARG 22 HE ARG 22 -2.783 -13.344 8.453 161 HH11 ARG 22 2HH1 ARG 22 -2.528 -10.694 6.209 162 HH12 ARG 22 1HH1 ARG 22 -4.188 -10.778 5.720 163 HH21 ARG 22 2HH2 ARG 22 -4.970 -13.464 7.817 164 HH22 ARG 22 1HH2 ARG 22 -5.576 -12.353 6.635 165 H GLN 23 H GLN 23 2.603 -15.288 5.561 166 HA GLN 23 HA GLN 23 5.203 -14.409 4.977 167 HB2 GLN 23 1HB GLN 23 4.014 -16.506 4.138 168 HB3 GLN 23 2HB GLN 23 3.262 -15.471 2.932 169 HG2 GLN 23 1HG GLN 23 5.300 -15.018 1.881 170 HG3 GLN 23 2HG GLN 23 6.237 -15.598 3.257 171 HE21 GLN 23 1HE2 GLN 23 7.363 -16.867 1.648 172 HE22 GLN 23 2HE2 GLN 23 6.699 -18.379 1.142 173 H ILE 24 H ILE 24 5.949 -13.137 3.173 174 HA ILE 24 HA ILE 24 4.446 -10.696 2.894 175 HB ILE 24 HB ILE 24 7.035 -11.438 1.532 176 HG12 ILE 24 1HG1 ILE 24 6.687 -9.925 4.125 177 HG13 ILE 24 2HG1 ILE 24 7.090 -11.636 4.044 178 HG21 ILE 24 1HG2 ILE 24 5.872 -9.519 0.564 179 HG22 ILE 24 2HG2 ILE 24 5.802 -8.758 2.153 180 HG23 ILE 24 3HG2 ILE 24 7.360 -9.025 1.372 181 HD11 ILE 24 1HD1 ILE 24 9.008 -10.044 4.395 182 HD12 ILE 24 2HD1 ILE 24 9.186 -11.194 3.069 183 HD13 ILE 24 3HD1 ILE 24 8.758 -9.517 2.731 184 H LEU 25 H LEU 25 3.536 -9.855 1.049 185 HA LEU 25 HA LEU 25 3.372 -11.663 -1.271 186 HB2 LEU 25 1HB LEU 25 1.127 -9.814 -0.677 187 HB3 LEU 25 2HB LEU 25 1.112 -11.391 -1.462 188 HG LEU 25 HG LEU 25 1.662 -11.186 1.472 189 HD11 LEU 25 1HD1 LEU 25 -0.684 -11.317 1.968 190 HD12 LEU 25 2HD1 LEU 25 -1.092 -11.301 0.253 191 HD13 LEU 25 3HD1 LEU 25 -0.387 -9.870 1.004 192 HD21 LEU 25 1HD2 LEU 25 0.540 -13.266 -0.390 193 HD22 LEU 25 2HD2 LEU 25 0.447 -13.402 1.367 194 HD23 LEU 25 3HD2 LEU 25 2.019 -13.339 0.568 195 H GLU 26 H GLU 26 2.182 -10.217 -3.125 196 HA GLU 26 HA GLU 26 3.400 -7.568 -3.236 197 HB2 GLU 26 1HB GLU 26 4.880 -9.503 -4.258 198 HB3 GLU 26 2HB GLU 26 3.780 -9.330 -5.618 199 HG2 GLU 26 1HG GLU 26 4.380 -7.010 -5.866 200 HG3 GLU 26 2HG GLU 26 5.393 -7.088 -4.426 201 H LYS 27 H LYS 27 1.924 -6.183 -3.928 202 HA LYS 27 HA LYS 27 -0.156 -7.148 -5.781 203 HB2 LYS 27 1HB LYS 27 -0.899 -6.608 -3.406 204 HB3 LYS 27 2HB LYS 27 -0.529 -4.929 -3.773 205 HG2 LYS 27 1HG LYS 27 -2.829 -5.143 -4.131 206 HG3 LYS 27 2HG LYS 27 -2.113 -5.169 -5.744 207 HD2 LYS 27 1HD LYS 27 -2.451 -7.470 -5.984 208 HD3 LYS 27 2HD LYS 27 -2.671 -7.710 -4.249 209 HE2 LYS 27 1HE LYS 27 -4.576 -5.978 -5.765 210 HE3 LYS 27 2HE LYS 27 -4.732 -7.732 -5.849 211 HZ1 LYS 27 1HZ LYS 27 -5.456 -5.956 -3.742 212 HZ2 LYS 27 2HZ LYS 27 -4.430 -7.178 -3.183 213 HZ3 LYS 27 3HZ LYS 27 -5.874 -7.580 -3.968 214 H GLN 28 H GLN 28 -0.948 -5.640 -7.329 215 HA GLN 28 HA GLN 28 0.858 -3.364 -7.817 216 HB2 GLN 28 1HB GLN 28 -0.204 -5.441 -9.697 217 HB3 GLN 28 2HB GLN 28 0.180 -3.833 -10.299 218 HG2 GLN 28 1HG GLN 28 2.472 -4.121 -9.332 219 HG3 GLN 28 2HG GLN 28 2.047 -5.800 -9.004 220 HE21 GLN 28 1HE2 GLN 28 2.527 -3.412 -11.521 221 HE22 GLN 28 2HE2 GLN 28 2.822 -4.537 -12.798 222 H LEU 29 H LEU 29 -0.200 -1.522 -7.536 223 HA LEU 29 HA LEU 29 -2.952 -1.315 -8.556 224 HB2 LEU 29 1HB LEU 29 -2.005 0.131 -6.101 225 HB3 LEU 29 2HB LEU 29 -3.656 -0.077 -6.681 226 HG LEU 29 HG LEU 29 -3.292 -1.418 -4.704 227 HD11 LEU 29 1HD1 LEU 29 -4.836 -2.518 -5.977 228 HD12 LEU 29 2HD1 LEU 29 -3.584 -3.756 -5.880 229 HD13 LEU 29 3HD1 LEU 29 -3.724 -2.755 -7.325 230 HD21 LEU 29 1HD2 LEU 29 -1.474 -2.668 -4.298 231 HD22 LEU 29 2HD2 LEU 29 -0.729 -1.700 -5.571 232 HD23 LEU 29 3HD2 LEU 29 -1.405 -3.286 -5.948 233 HA PRO 30 HA PRO 30 -1.586 2.255 -10.722 234 HB2 PRO 30 1HB PRO 30 -3.896 3.676 -10.838 235 HB3 PRO 30 2HB PRO 30 -3.616 2.217 -11.797 236 HG2 PRO 30 1HG PRO 30 -5.128 2.537 -9.233 237 HG3 PRO 30 2HG PRO 30 -5.557 1.598 -10.675 238 HD2 PRO 30 1HD PRO 30 -4.495 0.461 -8.459 239 HD3 PRO 30 2HD PRO 30 -4.184 -0.159 -10.093 240 H ASP 31 H ASP 31 -0.298 3.750 -9.860 241 HA ASP 31 HA ASP 31 -0.345 4.806 -7.340 242 HB2 ASP 31 1HB ASP 31 1.170 6.482 -8.095 243 HB3 ASP 31 2HB ASP 31 1.473 5.057 -9.085 244 H SER 32 H SER 32 -2.453 5.548 -9.937 245 HA SER 32 HA SER 32 -3.228 8.162 -9.170 246 HB2 SER 32 1HB SER 32 -4.273 6.066 -10.997 247 HB3 SER 32 2HB SER 32 -5.424 7.288 -10.456 248 HG SER 32 HG SER 32 -4.303 8.824 -11.471 249 H MET 33 H MET 33 -4.421 4.944 -8.345 250 HA MET 33 HA MET 33 -6.774 5.529 -7.062 251 HB2 MET 33 1HB MET 33 -5.477 3.268 -7.412 252 HB3 MET 33 2HB MET 33 -4.895 3.585 -5.783 253 HG2 MET 33 1HG MET 33 -6.922 3.224 -4.834 254 HG3 MET 33 2HG MET 33 -7.809 3.794 -6.246 255 HE1 MET 33 1HE MET 33 -7.294 -0.180 -4.724 256 HE2 MET 33 2HE MET 33 -5.652 0.155 -5.273 257 HE3 MET 33 3HE MET 33 -6.467 1.283 -4.188 258 H THR 34 H THR 34 -7.389 6.402 -5.157 259 HA THR 34 HA THR 34 -5.468 7.969 -3.708 260 HB THR 34 HB THR 34 -7.502 8.474 -2.227 261 HG1 THR 34 1HG THR 34 -9.508 7.964 -3.428 262 HG21 THR 34 1HG2 THR 34 -6.643 9.525 -4.633 263 HG22 THR 34 2HG2 THR 34 -7.809 10.265 -3.536 264 HG23 THR 34 3HG2 THR 34 -8.370 9.281 -4.887 265 H VAL 35 H VAL 35 -4.722 7.689 -1.640 266 HA VAL 35 HA VAL 35 -4.046 5.304 -0.628 267 HB VAL 35 HB VAL 35 -4.925 7.659 1.049 268 HG11 VAL 35 1HG1 VAL 35 -2.820 5.906 2.075 269 HG12 VAL 35 2HG1 VAL 35 -4.214 6.610 2.897 270 HG13 VAL 35 3HG1 VAL 35 -4.400 5.133 1.950 271 HG21 VAL 35 1HG2 VAL 35 -2.708 7.275 -0.715 272 HG22 VAL 35 2HG2 VAL 35 -3.122 8.688 0.255 273 HG23 VAL 35 3HG2 VAL 35 -2.120 7.410 0.942 274 H GLN 36 H GLN 36 -7.093 6.964 0.155 275 HA GLN 36 HA GLN 36 -8.180 5.202 1.953 276 HB2 GLN 36 1HB GLN 36 -9.106 7.419 0.860 277 HB3 GLN 36 2HB GLN 36 -9.950 6.292 -0.194 278 HG2 GLN 36 1HG GLN 36 -10.693 5.177 2.029 279 HG3 GLN 36 2HG GLN 36 -10.258 6.731 2.740 280 HE21 GLN 36 1HE2 GLN 36 -11.185 8.650 1.508 281 HE22 GLN 36 2HE2 GLN 36 -12.840 8.517 1.031 282 H LYS 37 H LYS 37 -8.530 5.058 -1.590 283 HA LYS 37 HA LYS 37 -10.040 2.740 -1.757 284 HB2 LYS 37 1HB LYS 37 -8.161 4.157 -3.573 285 HB3 LYS 37 2HB LYS 37 -8.585 2.503 -3.995 286 HG2 LYS 37 1HG LYS 37 -10.796 4.354 -3.305 287 HG3 LYS 37 2HG LYS 37 -9.977 4.583 -4.853 288 HD2 LYS 37 1HD LYS 37 -10.701 2.575 -5.687 289 HD3 LYS 37 2HD LYS 37 -10.815 1.830 -4.091 290 HE2 LYS 37 1HE LYS 37 -13.035 2.114 -4.879 291 HE3 LYS 37 2HE LYS 37 -12.772 3.341 -3.641 292 HZ1 LYS 37 1HZ LYS 37 -12.092 4.251 -6.272 293 HZ2 LYS 37 2HZ LYS 37 -13.088 4.966 -5.108 294 HZ3 LYS 37 3HZ LYS 37 -13.715 3.790 -6.150 295 H VAL 38 H VAL 38 -6.517 3.100 -1.604 296 HA VAL 38 HA VAL 38 -5.842 0.402 -1.946 297 HB VAL 38 HB VAL 38 -4.321 2.364 -0.230 298 HG11 VAL 38 1HG1 VAL 38 -3.638 -0.043 -0.216 299 HG12 VAL 38 2HG1 VAL 38 -3.307 0.102 -1.943 300 HG13 VAL 38 3HG1 VAL 38 -2.394 1.070 -0.784 301 HG21 VAL 38 1HG2 VAL 38 -3.651 3.530 -2.023 302 HG22 VAL 38 2HG2 VAL 38 -3.500 2.086 -3.025 303 HG23 VAL 38 3HG2 VAL 38 -5.074 2.851 -2.813 304 H LYS 39 H LYS 39 -6.724 2.234 0.933 305 HA LYS 39 HA LYS 39 -6.121 0.157 2.787 306 HB2 LYS 39 1HB LYS 39 -8.177 2.230 3.402 307 HB3 LYS 39 2HB LYS 39 -6.898 1.585 4.423 308 HG2 LYS 39 1HG LYS 39 -5.383 2.816 2.614 309 HG3 LYS 39 2HG LYS 39 -6.835 3.808 2.473 310 HD2 LYS 39 1HD LYS 39 -5.850 4.944 4.169 311 HD3 LYS 39 2HD LYS 39 -6.640 3.702 5.143 312 HE2 LYS 39 1HE LYS 39 -4.546 3.477 5.981 313 HE3 LYS 39 2HE LYS 39 -4.364 2.418 4.583 314 HZ1 LYS 39 1HZ LYS 39 -3.003 3.865 3.551 315 HZ2 LYS 39 2HZ LYS 39 -2.701 4.408 5.124 316 HZ3 LYS 39 3HZ LYS 39 -3.801 5.236 4.140 317 H GLY 40 H GLY 40 -9.191 1.372 1.438 318 HA2 GLY 40 1HA GLY 40 -10.901 -0.437 2.686 319 HA3 GLY 40 2HA GLY 40 -11.218 0.338 1.141 320 H LEU 41 H LEU 41 -8.561 -1.046 0.285 321 HA LEU 41 HA LEU 41 -9.830 -3.259 -0.985 322 HB2 LEU 41 1HB LEU 41 -8.142 -2.278 -2.244 323 HB3 LEU 41 2HB LEU 41 -7.035 -2.200 -0.875 324 HG LEU 41 HG LEU 41 -7.047 -4.796 -1.055 325 HD11 LEU 41 1HD1 LEU 41 -7.308 -5.537 -3.416 326 HD12 LEU 41 2HD1 LEU 41 -8.034 -3.971 -3.779 327 HD13 LEU 41 3HD1 LEU 41 -8.819 -5.064 -2.639 328 HD21 LEU 41 1HD2 LEU 41 -5.515 -4.101 -3.320 329 HD22 LEU 41 2HD2 LEU 41 -4.967 -4.314 -1.657 330 HD23 LEU 41 3HD2 LEU 41 -5.472 -2.721 -2.222 331 H LEU 42 H LEU 42 -7.486 -2.938 1.651 332 HA LEU 42 HA LEU 42 -7.462 -5.812 2.081 333 HB2 LEU 42 1HB LEU 42 -6.065 -3.539 3.479 334 HB3 LEU 42 2HB LEU 42 -5.892 -5.232 3.937 335 HG LEU 42 HG LEU 42 -5.177 -4.206 1.199 336 HD11 LEU 42 1HD1 LEU 42 -3.927 -3.328 3.429 337 HD12 LEU 42 2HD1 LEU 42 -3.138 -3.542 1.867 338 HD13 LEU 42 3HD1 LEU 42 -3.014 -4.800 3.096 339 HD21 LEU 42 1HD2 LEU 42 -4.560 -6.720 2.740 340 HD22 LEU 42 2HD2 LEU 42 -3.754 -6.266 1.239 341 HD23 LEU 42 3HD2 LEU 42 -5.492 -6.569 1.250 342 H SER 43 H SER 43 -8.679 -2.889 3.622 343 HA SER 43 HA SER 43 -9.408 -3.549 6.094 344 HB2 SER 43 1HB SER 43 -10.256 -1.493 5.469 345 HB3 SER 43 2HB SER 43 -10.916 -2.107 3.953 346 HG SER 43 HG SER 43 -11.957 -2.383 6.567 347 H ARG 44 H ARG 44 -11.194 -4.641 3.220 348 HA ARG 44 HA ARG 44 -13.101 -6.174 4.629 349 HB2 ARG 44 1HB ARG 44 -12.112 -6.394 1.781 350 HB3 ARG 44 2HB ARG 44 -13.496 -7.271 2.419 351 HG2 ARG 44 1HG ARG 44 -13.351 -4.281 2.545 352 HG3 ARG 44 2HG ARG 44 -13.928 -5.123 1.106 353 HD2 ARG 44 1HD ARG 44 -15.056 -5.469 3.881 354 HD3 ARG 44 2HD ARG 44 -15.750 -4.435 2.633 355 HE ARG 44 HE ARG 44 -15.396 -7.201 1.873 356 HH11 ARG 44 2HH1 ARG 44 -17.525 -4.811 3.243 357 HH12 ARG 44 1HH1 ARG 44 -18.968 -5.701 2.882 358 HH21 ARG 44 2HH2 ARG 44 -17.288 -8.382 1.394 359 HH22 ARG 44 1HH2 ARG 44 -18.832 -7.732 1.831 360 H LEU 45 H LEU 45 -10.043 -7.054 3.054 361 HA LEU 45 HA LEU 45 -10.169 -9.811 3.534 362 HB2 LEU 45 1HB LEU 45 -8.571 -9.114 1.986 363 HB3 LEU 45 2HB LEU 45 -7.919 -7.889 3.074 364 HG LEU 45 HG LEU 45 -6.802 -9.561 4.383 365 HD11 LEU 45 1HD1 LEU 45 -8.297 -11.519 2.659 366 HD12 LEU 45 2HD1 LEU 45 -8.345 -11.352 4.414 367 HD13 LEU 45 3HD1 LEU 45 -6.891 -11.964 3.626 368 HD21 LEU 45 1HD2 LEU 45 -5.152 -9.434 2.907 369 HD22 LEU 45 2HD2 LEU 45 -6.305 -9.128 1.608 370 HD23 LEU 45 3HD2 LEU 45 -5.859 -10.784 2.019 371 H LEU 46 H LEU 46 -8.462 -7.281 5.378 372 HA LEU 46 HA LEU 46 -8.003 -9.135 7.565 373 HB2 LEU 46 1HB LEU 46 -7.251 -6.249 7.149 374 HB3 LEU 46 2HB LEU 46 -6.866 -7.161 8.607 375 HG LEU 46 HG LEU 46 -5.949 -8.167 5.945 376 HD11 LEU 46 1HD1 LEU 46 -4.931 -6.177 5.629 377 HD12 LEU 46 2HD1 LEU 46 -3.772 -6.842 6.779 378 HD13 LEU 46 3HD1 LEU 46 -5.025 -5.732 7.333 379 HD21 LEU 46 1HD2 LEU 46 -5.053 -9.700 7.276 380 HD22 LEU 46 2HD2 LEU 46 -5.573 -8.823 8.715 381 HD23 LEU 46 3HD2 LEU 46 -4.023 -8.444 7.962 382 H LYS 47 H LYS 47 -10.648 -7.643 6.638 383 HA LYS 47 HA LYS 47 -12.508 -6.756 7.623 384 HB2 LYS 47 1HB LYS 47 -11.580 -8.402 9.982 385 HB3 LYS 47 2HB LYS 47 -13.225 -7.875 9.651 386 HG2 LYS 47 1HG LYS 47 -13.365 -10.001 8.880 387 HG3 LYS 47 2HG LYS 47 -12.806 -9.212 7.403 388 HD2 LYS 47 1HD LYS 47 -10.544 -9.889 7.825 389 HD3 LYS 47 2HD LYS 47 -10.975 -10.502 9.423 390 HE2 LYS 47 1HE LYS 47 -12.072 -11.574 6.827 391 HE3 LYS 47 2HE LYS 47 -10.706 -12.273 7.695 392 HZ1 LYS 47 1HZ LYS 47 -12.127 -13.406 8.932 393 HZ2 LYS 47 2HZ LYS 47 -13.439 -12.716 8.117 394 HZ3 LYS 47 3HZ LYS 47 -12.816 -11.969 9.501 395 H VAL 48 H VAL 48 -9.992 -5.262 7.960 396 HA VAL 48 HA VAL 48 -10.461 -3.941 10.542 397 HB VAL 48 HB VAL 48 -8.102 -3.755 8.664 398 HG11 VAL 48 1HG1 VAL 48 -7.064 -2.287 10.188 399 HG12 VAL 48 2HG1 VAL 48 -8.695 -1.654 9.960 400 HG13 VAL 48 3HG1 VAL 48 -8.297 -2.565 11.417 401 HG21 VAL 48 1HG2 VAL 48 -7.389 -5.581 9.712 402 HG22 VAL 48 2HG2 VAL 48 -7.324 -4.642 11.204 403 HG23 VAL 48 3HG2 VAL 48 -8.777 -5.556 10.801 404 HA PRO 49 HA PRO 49 -12.392 -0.546 8.481 405 HB2 PRO 49 1HB PRO 49 -12.189 1.273 10.485 406 HB3 PRO 49 2HB PRO 49 -13.345 -0.063 10.514 407 HG2 PRO 49 1HG PRO 49 -10.680 0.164 11.858 408 HG3 PRO 49 2HG PRO 49 -12.206 -0.470 12.500 409 HD2 PRO 49 1HD PRO 49 -10.223 -2.080 11.602 410 HD3 PRO 49 2HD PRO 49 -11.939 -2.512 11.464 411 H VAL 50 H VAL 50 -11.727 1.070 7.180 412 HA VAL 50 HA VAL 50 -9.017 1.577 6.731 413 HB VAL 50 HB VAL 50 -11.453 3.171 5.941 414 HG11 VAL 50 1HG1 VAL 50 -10.078 4.416 4.417 415 HG12 VAL 50 2HG1 VAL 50 -9.406 4.582 6.040 416 HG13 VAL 50 3HG1 VAL 50 -8.650 3.490 4.879 417 HG21 VAL 50 1HG2 VAL 50 -10.231 0.771 4.972 418 HG22 VAL 50 2HG2 VAL 50 -11.701 1.573 4.417 419 HG23 VAL 50 3HG2 VAL 50 -10.139 2.023 3.733 420 H SER 51 H SER 51 -11.276 3.057 8.912 421 HA SER 51 HA SER 51 -9.923 5.495 9.350 422 HB2 SER 51 1HB SER 51 -12.275 5.055 10.034 423 HB3 SER 51 2HB SER 51 -11.677 3.973 11.293 424 HG SER 51 HG SER 51 -10.844 6.669 11.099 425 H GLU 52 H GLU 52 -9.278 2.278 10.360 426 HA GLU 52 HA GLU 52 -7.337 3.238 12.353 427 HB2 GLU 52 1HB GLU 52 -8.734 0.587 12.030 428 HB3 GLU 52 2HB GLU 52 -7.333 0.789 13.072 429 HG2 GLU 52 1HG GLU 52 -8.664 2.667 14.185 430 HG3 GLU 52 2HG GLU 52 -10.061 1.991 13.349 431 H LEU 53 H LEU 53 -7.757 1.124 9.560 432 HA LEU 53 HA LEU 53 -5.424 -0.189 9.313 433 HB2 LEU 53 1HB LEU 53 -7.110 1.223 7.302 434 HB3 LEU 53 2HB LEU 53 -5.577 0.522 6.788 435 HG LEU 53 HG LEU 53 -7.731 -1.070 8.164 436 HD11 LEU 53 1HD1 LEU 53 -7.296 -0.517 5.243 437 HD12 LEU 53 2HD1 LEU 53 -8.773 -0.330 6.188 438 HD13 LEU 53 3HD1 LEU 53 -8.158 -1.942 5.823 439 HD21 LEU 53 1HD2 LEU 53 -5.460 -1.978 6.408 440 HD22 LEU 53 2HD2 LEU 53 -6.529 -2.973 7.398 441 HD23 LEU 53 3HD2 LEU 53 -5.360 -1.898 8.167 442 H LEU 54 H LEU 54 -3.552 0.646 10.081 443 HA LEU 54 HA LEU 54 -2.672 3.276 9.167 444 HB2 LEU 54 1HB LEU 54 -1.802 1.400 11.325 445 HB3 LEU 54 2HB LEU 54 -0.706 2.659 10.757 446 HG LEU 54 HG LEU 54 -3.461 3.206 11.852 447 HD11 LEU 54 1HD1 LEU 54 -2.304 3.915 13.902 448 HD12 LEU 54 2HD1 LEU 54 -0.791 3.288 13.249 449 HD13 LEU 54 3HD1 LEU 54 -2.126 2.188 13.593 450 HD21 LEU 54 1HD2 LEU 54 -3.008 5.151 10.812 451 HD22 LEU 54 2HD2 LEU 54 -1.275 4.830 10.733 452 HD23 LEU 54 3HD2 LEU 54 -1.992 5.441 12.225 453 H LEU 55 H LEU 55 -1.967 3.050 7.096 454 HA LEU 55 HA LEU 55 -0.102 0.899 6.448 455 HB2 LEU 55 1HB LEU 55 -1.848 2.724 4.925 456 HB3 LEU 55 2HB LEU 55 -0.317 2.306 4.159 457 HG LEU 55 HG LEU 55 -0.895 -0.058 4.257 458 HD11 LEU 55 1HD1 LEU 55 -2.210 -0.063 6.294 459 HD12 LEU 55 2HD1 LEU 55 -3.138 -0.757 4.964 460 HD13 LEU 55 3HD1 LEU 55 -3.471 0.887 5.507 461 HD21 LEU 55 1HD2 LEU 55 -1.941 0.151 2.307 462 HD22 LEU 55 2HD2 LEU 55 -2.066 1.880 2.633 463 HD23 LEU 55 3HD2 LEU 55 -3.386 0.799 3.083 464 H SER 56 H SER 56 2.018 1.198 5.947 465 HA SER 56 HA SER 56 3.077 3.917 5.797 466 HB2 SER 56 1HB SER 56 4.885 3.342 7.420 467 HB3 SER 56 2HB SER 56 3.283 3.392 8.155 468 HG SER 56 HG SER 56 4.053 1.515 8.875 469 H TYR 57 H TYR 57 4.457 4.075 4.164 470 HA TYR 57 HA TYR 57 5.618 1.610 3.068 471 HB2 TYR 57 1HB TYR 57 5.523 2.545 0.969 472 HB3 TYR 57 2HB TYR 57 4.156 3.357 1.723 473 HD1 TYR 57 1HD TYR 57 4.518 5.694 2.658 474 HD2 TYR 57 2HD TYR 57 7.317 3.779 0.090 475 HE1 TYR 57 1HE TYR 57 5.518 7.878 2.129 476 HE2 TYR 57 2HE TYR 57 8.325 5.957 -0.446 477 HH TYR 57 HH TYR 57 7.671 8.770 1.321 478 H GLU 58 H GLU 58 7.808 1.474 2.563 479 HA GLU 58 HA GLU 58 9.501 3.535 3.817 480 HB2 GLU 58 1HB GLU 58 9.394 1.190 4.873 481 HB3 GLU 58 2HB GLU 58 10.312 0.658 3.470 482 HG2 GLU 58 1HG GLU 58 11.865 2.680 4.186 483 HG3 GLU 58 2HG GLU 58 11.144 2.344 5.760 484 H SER 59 H SER 59 10.843 4.579 2.510 485 HA SER 59 HA SER 59 11.047 3.848 -0.259 486 HB2 SER 59 1HB SER 59 11.032 6.230 0.854 487 HB3 SER 59 2HB SER 59 12.770 5.960 0.989 488 HG SER 59 HG SER 59 12.531 5.378 -1.372 489 H SER 60 H SER 60 13.026 3.478 -1.405 490 HA SER 60 HA SER 60 14.773 1.678 -0.001 491 HB2 SER 60 1HB SER 60 14.114 1.156 -2.284 492 HB3 SER 60 2HB SER 60 14.811 2.669 -2.862 493 HG SER 60 HG SER 60 16.830 1.900 -2.452 494 H LYS 61 H LYS 61 14.832 4.999 -0.940 495 HA LYS 61 HA LYS 61 17.668 5.344 -0.850 496 HB2 LYS 61 1HB LYS 61 17.233 7.680 -1.063 497 HB3 LYS 61 2HB LYS 61 16.058 6.845 -2.070 498 HG2 LYS 61 1HG LYS 61 14.334 7.179 -0.436 499 HG3 LYS 61 2HG LYS 61 15.494 7.854 0.710 500 HD2 LYS 61 1HD LYS 61 14.327 9.682 -0.278 501 HD3 LYS 61 2HD LYS 61 15.952 9.665 -0.968 502 HE2 LYS 61 1HE LYS 61 14.379 10.059 -2.734 503 HE3 LYS 61 2HE LYS 61 15.039 8.436 -2.928 504 HZ1 LYS 61 1HZ LYS 61 12.715 8.361 -1.318 505 HZ2 LYS 61 2HZ LYS 61 13.013 7.586 -2.792 506 HZ3 LYS 61 3HZ LYS 61 12.374 9.152 -2.774 507 H MET 62 H MET 62 15.018 5.868 1.438 508 HA MET 62 HA MET 62 17.020 6.339 3.546 509 HB2 MET 62 1HB MET 62 15.361 7.572 4.764 510 HB3 MET 62 2HB MET 62 15.400 8.194 3.119 511 HG2 MET 62 1HG MET 62 13.469 6.410 2.800 512 HG3 MET 62 2HG MET 62 13.282 6.682 4.531 513 HE1 MET 62 1HE MET 62 11.023 6.961 3.340 514 HE2 MET 62 2HE MET 62 10.352 8.590 3.417 515 HE3 MET 62 3HE MET 62 10.919 7.942 1.877 516 HA PRO 63 HA PRO 63 15.287 2.173 4.457 517 HB2 PRO 63 1HB PRO 63 17.619 1.184 5.434 518 HB3 PRO 63 2HB PRO 63 17.226 1.193 3.711 519 HG2 PRO 63 1HG PRO 63 18.939 3.087 5.272 520 HG3 PRO 63 2HG PRO 63 19.230 2.373 3.676 521 HD2 PRO 63 1HD PRO 63 18.312 4.900 3.995 522 HD3 PRO 63 2HD PRO 63 17.859 3.887 2.609 523 H GLY 64 H GLY 64 14.669 1.330 6.432 524 HA2 GLY 64 1HA GLY 64 14.426 1.179 8.726 525 HA3 GLY 64 2HA GLY 64 15.828 2.224 8.903 526 H ARG 65 H ARG 65 13.125 3.201 6.945 527 HA ARG 65 HA ARG 65 11.936 4.766 9.080 528 HB2 ARG 65 1HB ARG 65 13.836 6.142 8.198 529 HB3 ARG 65 2HB ARG 65 13.042 6.142 6.629 530 HG2 ARG 65 1HG ARG 65 11.072 7.224 7.701 531 HG3 ARG 65 2HG ARG 65 12.018 7.352 9.185 532 HD2 ARG 65 1HD ARG 65 13.766 8.474 7.558 533 HD3 ARG 65 2HD ARG 65 12.321 8.794 6.599 534 HE ARG 65 HE ARG 65 11.847 10.466 8.062 535 HH11 ARG 65 2HH1 ARG 65 13.746 8.071 9.729 536 HH12 ARG 65 1HH1 ARG 65 13.796 8.957 11.216 537 HH21 ARG 65 2HH2 ARG 65 11.906 11.642 10.015 538 HH22 ARG 65 1HH2 ARG 65 12.748 10.988 11.379 539 H GLU 66 H GLU 66 9.815 4.578 8.852 540 HA GLU 66 HA GLU 66 8.722 4.153 6.152 541 HB2 GLU 66 1HB GLU 66 6.957 2.900 7.106 542 HB3 GLU 66 2HB GLU 66 8.420 2.345 7.907 543 HG2 GLU 66 1HG GLU 66 6.686 4.471 9.108 544 HG3 GLU 66 2HG GLU 66 6.348 2.756 9.338 545 H ILE 67 H ILE 67 6.793 5.213 5.549 546 HA ILE 67 HA ILE 67 6.289 7.685 7.068 547 HB ILE 67 HB ILE 67 5.925 7.130 4.123 548 HG12 ILE 67 1HG1 ILE 67 7.569 9.140 4.065 549 HG13 ILE 67 2HG1 ILE 67 7.899 8.717 5.741 550 HG21 ILE 67 1HG2 ILE 67 4.522 8.943 5.764 551 HG22 ILE 67 2HG2 ILE 67 5.658 9.889 4.803 552 HG23 ILE 67 3HG2 ILE 67 4.500 8.826 4.004 553 HD11 ILE 67 1HD1 ILE 67 8.147 6.307 4.511 554 HD12 ILE 67 2HD1 ILE 67 8.740 7.412 3.271 555 HD13 ILE 67 3HD1 ILE 67 9.477 7.406 4.873 556 H GLU 68 H GLU 68 4.532 7.434 8.295 557 HA GLU 68 HA GLU 68 2.423 5.632 7.714 558 HB2 GLU 68 1HB GLU 68 1.251 6.789 9.596 559 HB3 GLU 68 2HB GLU 68 2.859 6.205 10.000 560 HG2 GLU 68 1HG GLU 68 3.748 8.467 9.691 561 HG3 GLU 68 2HG GLU 68 2.122 9.044 9.326 562 H LEU 69 H LEU 69 0.965 5.870 6.165 563 HA LEU 69 HA LEU 69 0.391 8.462 5.030 564 HB2 LEU 69 1HB LEU 69 -1.060 5.928 4.360 565 HB3 LEU 69 2HB LEU 69 -0.748 7.327 3.335 566 HG LEU 69 HG LEU 69 1.549 5.670 4.280 567 HD11 LEU 69 1HD1 LEU 69 -0.259 4.155 3.367 568 HD12 LEU 69 2HD1 LEU 69 1.302 4.088 2.550 569 HD13 LEU 69 3HD1 LEU 69 -0.036 4.976 1.822 570 HD21 LEU 69 1HD2 LEU 69 2.151 7.642 3.126 571 HD22 LEU 69 2HD2 LEU 69 0.931 7.376 1.880 572 HD23 LEU 69 3HD2 LEU 69 2.344 6.323 1.971 573 H GLU 70 H GLU 70 -1.010 9.788 5.966 574 HA GLU 70 HA GLU 70 -3.345 8.632 7.338 575 HB2 GLU 70 1HB GLU 70 -3.440 10.841 8.538 576 HB3 GLU 70 2HB GLU 70 -2.029 9.858 8.902 577 HG2 GLU 70 1HG GLU 70 -0.636 11.213 7.526 578 HG3 GLU 70 2HG GLU 70 -2.026 12.093 6.892 579 H ASN 71 H ASN 71 -2.385 10.295 4.597 580 HA ASN 71 HA ASN 71 -4.828 11.843 4.308 581 HB2 ASN 71 1HB ASN 71 -2.268 11.605 2.783 582 HB3 ASN 71 2HB ASN 71 -3.694 12.210 1.946 583 HD21 ASN 71 1HD2 ASN 71 -4.350 14.252 2.289 584 HD22 ASN 71 2HD2 ASN 71 -3.582 15.357 3.372 585 H ASP 72 H ASP 72 -6.623 10.971 3.537 586 HA ASP 72 HA ASP 72 -6.475 8.491 1.998 587 HB2 ASP 72 1HB ASP 72 -9.102 8.804 2.302 588 HB3 ASP 72 2HB ASP 72 -8.092 8.134 3.581 589 H LEU 73 H LEU 73 -7.085 11.849 1.601 590 HA LEU 73 HA LEU 73 -8.375 11.448 -0.994 591 HB2 LEU 73 1HB LEU 73 -7.907 13.879 0.713 592 HB3 LEU 73 2HB LEU 73 -8.519 13.979 -0.937 593 HG LEU 73 HG LEU 73 -9.874 12.652 1.410 594 HD11 LEU 73 1HD1 LEU 73 -11.240 14.462 1.553 595 HD12 LEU 73 2HD1 LEU 73 -11.074 14.867 -0.155 596 HD13 LEU 73 3HD1 LEU 73 -9.781 15.266 0.976 597 HD21 LEU 73 1HD2 LEU 73 -10.217 12.329 -1.459 598 HD22 LEU 73 2HD2 LEU 73 -11.693 12.861 -0.652 599 HD23 LEU 73 3HD2 LEU 73 -10.881 11.385 -0.125 600 H GLN 74 H GLN 74 -5.574 10.756 -0.561 601 HA GLN 74 HA GLN 74 -4.423 12.460 -2.653 602 HB2 GLN 74 1HB GLN 74 -3.040 11.643 -0.094 603 HB3 GLN 74 2HB GLN 74 -2.220 12.356 -1.478 604 HG2 GLN 74 1HG GLN 74 -4.467 13.694 0.005 605 HG3 GLN 74 2HG GLN 74 -2.760 13.943 0.368 606 HE21 GLN 74 1HE2 GLN 74 -5.315 15.206 -1.211 607 HE22 GLN 74 2HE2 GLN 74 -4.498 16.126 -2.423 608 HA PRO 75 HA PRO 75 -3.542 8.540 -4.483 609 HB2 PRO 75 1HB PRO 75 -1.814 9.403 -6.392 610 HB3 PRO 75 2HB PRO 75 -3.561 9.655 -6.492 611 HG2 PRO 75 1HG PRO 75 -1.420 11.552 -5.608 612 HG3 PRO 75 2HG PRO 75 -2.824 11.855 -6.649 613 HD2 PRO 75 1HD PRO 75 -2.778 12.541 -4.031 614 HD3 PRO 75 2HD PRO 75 -4.266 12.048 -4.862 615 H LEU 76 H LEU 76 -1.613 7.207 -5.097 616 HA LEU 76 HA LEU 76 0.211 7.083 -2.932 617 HB2 LEU 76 1HB LEU 76 0.077 5.664 -5.578 618 HB3 LEU 76 2HB LEU 76 1.343 5.344 -4.395 619 HG LEU 76 HG LEU 76 -0.473 3.675 -4.350 620 HD11 LEU 76 1HD1 LEU 76 -0.152 5.395 -1.898 621 HD12 LEU 76 2HD1 LEU 76 0.808 3.987 -2.352 622 HD13 LEU 76 3HD1 LEU 76 -0.885 3.791 -1.900 623 HD21 LEU 76 1HD2 LEU 76 -2.277 5.301 -4.963 624 HD22 LEU 76 2HD2 LEU 76 -2.212 5.903 -3.307 625 HD23 LEU 76 3HD2 LEU 76 -2.672 4.229 -3.620 626 H GLN 77 H GLN 77 0.389 8.399 -6.174 627 HA GLN 77 HA GLN 77 3.163 8.719 -6.376 628 HB2 GLN 77 1HB GLN 77 2.745 10.113 -8.206 629 HB3 GLN 77 2HB GLN 77 1.345 9.050 -8.167 630 HG2 GLN 77 1HG GLN 77 -0.002 10.755 -7.167 631 HG3 GLN 77 2HG GLN 77 1.398 11.808 -6.971 632 HE21 GLN 77 1HE2 GLN 77 -1.278 11.459 -8.706 633 HE22 GLN 77 2HE2 GLN 77 -0.783 12.144 -10.212 634 H PHE 78 H PHE 78 0.716 10.641 -4.767 635 HA PHE 78 HA PHE 78 2.144 12.998 -4.353 636 HB2 PHE 78 1HB PHE 78 -0.217 12.879 -3.852 637 HB3 PHE 78 2HB PHE 78 0.065 11.659 -2.614 638 HD1 PHE 78 2HD PHE 78 1.090 15.138 -3.481 639 HD2 PHE 78 1HD PHE 78 0.153 12.332 -0.421 640 HE1 PHE 78 2HE PHE 78 1.310 16.913 -1.791 641 HE2 PHE 78 1HE PHE 78 0.370 14.102 1.274 642 HZ PHE 78 HZ PHE 78 0.951 16.396 0.590 643 H TYR 79 H TYR 79 2.340 9.906 -2.749 644 HA TYR 79 HA TYR 79 4.102 10.969 -0.681 645 HB2 TYR 79 1HB TYR 79 2.760 8.320 -1.134 646 HB3 TYR 79 2HB TYR 79 4.096 8.461 0.004 647 HD1 TYR 79 1HD TYR 79 0.613 9.368 -0.677 648 HD2 TYR 79 2HD TYR 79 3.837 9.692 2.081 649 HE1 TYR 79 1HE TYR 79 -0.953 10.144 1.054 650 HE2 TYR 79 2HE TYR 79 2.280 10.469 3.819 651 HH TYR 79 HH TYR 79 -0.326 10.153 4.231 652 H SER 80 H SER 80 4.801 10.757 -3.603 653 HA SER 80 HA SER 80 6.556 10.154 -4.927 654 HB2 SER 80 1HB SER 80 7.979 10.045 -2.256 655 HB3 SER 80 2HB SER 80 8.762 10.150 -3.832 656 HG SER 80 HG SER 80 6.884 12.067 -2.938 657 H VAL 81 H VAL 81 4.843 8.013 -3.756 658 HA VAL 81 HA VAL 81 6.546 5.752 -3.295 659 HB VAL 81 HB VAL 81 3.587 5.874 -3.896 660 HG11 VAL 81 1HG1 VAL 81 3.868 3.681 -4.301 661 HG12 VAL 81 2HG1 VAL 81 5.448 3.633 -3.517 662 HG13 VAL 81 3HG1 VAL 81 3.977 3.555 -2.545 663 HG21 VAL 81 1HG2 VAL 81 4.212 5.066 -1.236 664 HG22 VAL 81 2HG2 VAL 81 5.057 6.574 -1.583 665 HG23 VAL 81 3HG2 VAL 81 3.307 6.480 -1.778 666 H GLU 82 H GLU 82 7.634 4.713 -4.819 667 HA GLU 82 HA GLU 82 6.461 4.541 -7.517 668 HB2 GLU 82 1HB GLU 82 8.649 4.701 -8.491 669 HB3 GLU 82 2HB GLU 82 8.438 6.060 -7.396 670 HG2 GLU 82 1HG GLU 82 9.640 4.582 -5.670 671 HG3 GLU 82 2HG GLU 82 10.139 3.624 -7.063 672 H ASN 83 H ASN 83 7.268 2.668 -8.787 673 HA ASN 83 HA ASN 83 6.782 0.261 -7.501 674 HB2 ASN 83 1HB ASN 83 6.542 0.282 -9.848 675 HB3 ASN 83 2HB ASN 83 8.168 0.914 -10.093 676 HD21 ASN 83 1HD2 ASN 83 7.948 -1.003 -11.640 677 HD22 ASN 83 2HD2 ASN 83 8.537 -2.515 -11.047 678 H GLY 84 H GLY 84 7.952 -1.052 -6.252 679 HA2 GLY 84 1HA GLY 84 10.139 -2.204 -6.008 680 HA3 GLY 84 2HA GLY 84 10.875 -0.616 -6.164 681 H ASP 85 H ASP 85 9.079 0.820 -4.516 682 HA ASP 85 HA ASP 85 10.263 0.594 -2.034 683 HB2 ASP 85 1HB ASP 85 7.648 1.774 -2.928 684 HB3 ASP 85 2HB ASP 85 8.096 1.781 -1.224 685 H CYS 86 H CYS 86 8.654 0.332 0.016 686 HA CYS 86 HA CYS 86 7.467 -2.353 -0.234 687 HB2 CYS 86 1HB CYS 86 9.161 -1.190 1.972 688 HB3 CYS 86 2HB CYS 86 8.147 -2.606 2.218 689 HG CYS 86 HG CYS 86 10.376 -3.930 1.811 690 H LEU 87 H LEU 87 5.644 -2.813 1.053 691 HA LEU 87 HA LEU 87 4.278 -0.424 2.109 692 HB2 LEU 87 1HB LEU 87 3.156 -2.818 0.670 693 HB3 LEU 87 2HB LEU 87 2.158 -1.651 1.536 694 HG LEU 87 HG LEU 87 3.922 -1.004 -0.826 695 HD11 LEU 87 1HD1 LEU 87 1.775 -2.485 -1.093 696 HD12 LEU 87 2HD1 LEU 87 2.107 -1.166 -2.214 697 HD13 LEU 87 3HD1 LEU 87 0.946 -0.940 -0.906 698 HD21 LEU 87 1HD2 LEU 87 3.631 0.892 0.649 699 HD22 LEU 87 2HD2 LEU 87 1.886 0.633 0.684 700 HD23 LEU 87 3HD2 LEU 87 2.676 1.122 -0.816 701 H LEU 88 H LEU 88 4.163 -0.487 4.248 702 HA LEU 88 HA LEU 88 4.006 -3.092 5.595 703 HB2 LEU 88 1HB LEU 88 4.577 -0.422 6.857 704 HB3 LEU 88 2HB LEU 88 4.831 -2.021 7.553 705 HG LEU 88 HG LEU 88 6.341 -1.215 5.102 706 HD11 LEU 88 1HD1 LEU 88 8.148 -0.562 6.881 707 HD12 LEU 88 2HD1 LEU 88 6.737 -0.200 7.875 708 HD13 LEU 88 3HD1 LEU 88 6.960 0.619 6.329 709 HD21 LEU 88 1HD2 LEU 88 6.433 -3.532 5.877 710 HD22 LEU 88 2HD2 LEU 88 6.986 -2.984 7.460 711 HD23 LEU 88 3HD2 LEU 88 8.000 -2.738 6.038 712 H VAL 89 H VAL 89 1.987 -3.709 5.998 713 HA VAL 89 HA VAL 89 -0.063 -1.706 6.574 714 HB VAL 89 HB VAL 89 -0.383 -4.683 6.174 715 HG11 VAL 89 1HG1 VAL 89 -2.753 -3.396 5.545 716 HG12 VAL 89 2HG1 VAL 89 -2.417 -4.320 7.011 717 HG13 VAL 89 3HG1 VAL 89 -2.189 -2.570 6.998 718 HG21 VAL 89 1HG2 VAL 89 0.359 -3.913 4.104 719 HG22 VAL 89 2HG2 VAL 89 -1.397 -3.852 3.956 720 HG23 VAL 89 3HG2 VAL 89 -0.486 -2.374 4.264 721 H ARG 90 H ARG 90 -0.911 -1.389 8.539 722 HA ARG 90 HA ARG 90 -0.813 -3.417 10.586 723 HB2 ARG 90 1HB ARG 90 1.440 -2.397 10.735 724 HB3 ARG 90 2HB ARG 90 0.692 -0.828 10.999 725 HG2 ARG 90 1HG ARG 90 -0.402 -1.807 13.037 726 HG3 ARG 90 2HG ARG 90 0.621 -3.227 12.807 727 HD2 ARG 90 1HD ARG 90 2.613 -1.827 12.981 728 HD3 ARG 90 2HD ARG 90 1.599 -0.398 13.181 729 HE ARG 90 HE ARG 90 1.026 -2.389 15.137 730 HH11 ARG 90 2HH1 ARG 90 3.265 0.139 14.293 731 HH12 ARG 90 1HH1 ARG 90 3.742 0.442 15.931 732 HH21 ARG 90 2HH2 ARG 90 1.646 -2.000 17.297 733 HH22 ARG 90 1HH2 ARG 90 2.821 -0.776 17.639 734 H TRP 91 H TRP 91 -2.219 -3.011 12.301 735 HA TRP 91 HA TRP 91 -3.675 -0.481 12.319 736 HB2 TRP 91 1HB TRP 91 -5.852 -1.557 12.227 737 HB3 TRP 91 2HB TRP 91 -4.925 -1.978 10.790 738 HD1 TRP 91 HD TRP 91 -6.394 -3.508 13.963 739 HE1 TRP 91 1HE TRP 91 -6.322 -6.072 13.756 740 HE3 TRP 91 3HE TRP 91 -3.623 -3.899 9.684 741 HZ2 TRP 91 2HZ TRP 91 -5.234 -8.005 12.010 742 HZ3 TRP 91 3HZ TRP 91 -3.111 -6.142 8.812 743 HH2 TRP 91 HH TRP 91 -3.900 -8.152 9.953 744 H SER 92 H SER 92 -5.099 -0.280 14.230 745 HA SER 92 HA SER 92 -3.855 -1.605 16.529 746 HB2 SER 92 1HB SER 92 -3.763 0.751 16.767 747 HB3 SER 92 2HB SER 92 -5.433 0.949 16.235 748 HG SER 92 HG SER 92 -4.797 -0.511 18.565 749 H GLY 93 H GLY 93 -4.899 -3.502 16.853 750 HA2 GLY 93 1HA GLY 93 -7.560 -3.402 17.918 751 HA3 GLY 93 2HA GLY 93 -7.503 -4.184 16.345 752 HA PRO 94 HA PRO 94 -4.813 -6.912 19.304 753 HB2 PRO 94 1HB PRO 94 -4.925 -6.302 21.947 754 HB3 PRO 94 2HB PRO 94 -3.720 -5.613 20.851 755 HG2 PRO 94 1HG PRO 94 -6.276 -4.417 21.848 756 HG3 PRO 94 2HG PRO 94 -4.681 -3.662 21.674 757 HD2 PRO 94 1HD PRO 94 -6.668 -3.301 19.870 758 HD3 PRO 94 2HD PRO 94 -4.952 -3.315 19.412 759 H SER 95 H SER 95 -5.388 -8.646 20.851 760 HA SER 95 HA SER 95 -8.165 -9.307 20.615 761 HB2 SER 95 1HB SER 95 -6.277 -10.967 20.463 762 HB3 SER 95 2HB SER 95 -6.051 -10.778 22.201 763 HG SER 95 HG SER 95 -8.524 -11.260 22.080 764 H SER 96 H SER 96 -9.693 -9.545 22.229 765 HA SER 96 HA SER 96 -8.981 -8.591 24.912 766 HB2 SER 96 1HB SER 96 -11.319 -7.604 23.261 767 HB3 SER 96 2HB SER 96 -11.076 -7.244 24.970 768 HG SER 96 HG SER 96 -9.209 -6.616 22.927 769 H GLY 97 H GLY 97 -9.522 -10.110 26.323 770 HA2 GLY 97 1HA GLY 97 -12.141 -11.368 26.163 771 HA3 GLY 97 2HA GLY 97 -10.764 -12.450 26.015
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