NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
28430 | 2yuq | 10211 | 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 -23.789 -21.971 -27.239 2 HA2 GLY 1 1HA GLY 1 -21.183 -21.327 -28.013 3 HA3 GLY 1 2HA GLY 1 -21.362 -20.847 -26.333 4 H SER 2 H SER 2 -19.550 -22.803 -27.200 5 HA SER 2 HA SER 2 -20.460 -25.039 -25.590 6 HB2 SER 2 1HB SER 2 -21.015 -25.388 -28.135 7 HB3 SER 2 2HB SER 2 -19.292 -25.744 -28.259 8 HG SER 2 HG SER 2 -19.869 -27.180 -26.314 9 H SER 3 H SER 3 -18.781 -26.271 -24.725 10 HA SER 3 HA SER 3 -16.295 -24.903 -24.456 11 HB2 SER 3 1HB SER 3 -16.996 -27.708 -23.561 12 HB3 SER 3 2HB SER 3 -15.668 -26.713 -22.962 13 HG SER 3 HG SER 3 -17.303 -25.215 -22.240 14 H GLY 4 H GLY 4 -14.215 -26.380 -24.567 15 HA2 GLY 4 1HA GLY 4 -14.232 -27.800 -27.154 16 HA3 GLY 4 2HA GLY 4 -13.005 -26.596 -26.789 17 H SER 5 H SER 5 -11.898 -27.047 -24.565 18 HA SER 5 HA SER 5 -11.083 -29.872 -24.616 19 HB2 SER 5 1HB SER 5 -9.435 -27.871 -25.007 20 HB3 SER 5 2HB SER 5 -9.492 -27.726 -23.250 21 HG SER 5 HG SER 5 -9.015 -30.228 -24.438 22 H SER 6 H SER 6 -11.774 -27.191 -22.394 23 HA SER 6 HA SER 6 -12.595 -29.171 -20.386 24 HB2 SER 6 1HB SER 6 -10.669 -26.891 -20.025 25 HB3 SER 6 2HB SER 6 -11.619 -27.488 -18.665 26 HG SER 6 HG SER 6 -10.729 -29.645 -19.518 27 H GLY 7 H GLY 7 -14.482 -28.727 -19.402 28 HA2 GLY 7 1HA GLY 7 -15.786 -26.187 -20.114 29 HA3 GLY 7 2HA GLY 7 -16.615 -27.664 -19.645 30 H GLU 8 H GLU 8 -13.893 -26.944 -17.739 31 HA GLU 8 HA GLU 8 -15.639 -25.828 -15.642 32 HB2 GLU 8 1HB GLU 8 -13.275 -27.691 -15.361 33 HB3 GLU 8 2HB GLU 8 -14.105 -26.930 -14.011 34 HG2 GLU 8 1HG GLU 8 -15.360 -28.823 -15.985 35 HG3 GLU 8 2HG GLU 8 -14.820 -29.242 -14.360 36 H ASP 9 H ASP 9 -15.211 -23.717 -15.527 37 HA ASP 9 HA ASP 9 -12.630 -22.622 -16.130 38 HB2 ASP 9 1HB ASP 9 -13.729 -20.475 -15.277 39 HB3 ASP 9 2HB ASP 9 -14.454 -21.233 -16.693 40 H ASN 10 H ASN 10 -11.019 -23.060 -14.749 41 HA ASN 10 HA ASN 10 -11.511 -22.613 -11.878 42 HB2 ASN 10 1HB ASN 10 -10.956 -24.933 -12.284 43 HB3 ASN 10 2HB ASN 10 -9.542 -24.471 -13.228 44 HD21 ASN 10 1HD2 ASN 10 -7.679 -24.505 -12.210 45 HD22 ASN 10 2HD2 ASN 10 -7.451 -24.411 -10.500 46 H ARG 11 H ARG 11 -11.000 -20.410 -13.378 47 HA ARG 11 HA ARG 11 -8.194 -19.811 -13.479 48 HB2 ARG 11 1HB ARG 11 -9.615 -18.734 -15.080 49 HB3 ARG 11 2HB ARG 11 -10.663 -18.108 -13.813 50 HG2 ARG 11 1HG ARG 11 -9.315 -16.318 -14.621 51 HG3 ARG 11 2HG ARG 11 -8.753 -16.736 -13.001 52 HD2 ARG 11 1HD ARG 11 -6.803 -16.450 -14.287 53 HD3 ARG 11 2HD ARG 11 -7.017 -18.194 -14.137 54 HE ARG 11 HE ARG 11 -8.256 -17.642 -16.466 55 HH11 ARG 11 1HH1 ARG 11 -5.111 -16.834 -15.209 56 HH12 ARG 11 2HH1 ARG 11 -4.353 -16.801 -16.767 57 HH21 ARG 11 1HH2 ARG 11 -7.269 -17.602 -18.522 58 HH22 ARG 11 2HH2 ARG 11 -5.582 -17.237 -18.651 59 H ARG 12 H ARG 12 -7.406 -20.094 -11.390 60 HA ARG 12 HA ARG 12 -8.585 -18.694 -9.163 61 HB2 ARG 12 1HB ARG 12 -6.191 -20.461 -9.530 62 HB3 ARG 12 2HB ARG 12 -6.362 -19.509 -8.062 63 HG2 ARG 12 1HG ARG 12 -8.134 -20.731 -7.306 64 HG3 ARG 12 2HG ARG 12 -8.664 -21.172 -8.931 65 HD2 ARG 12 1HD ARG 12 -7.167 -22.911 -9.093 66 HD3 ARG 12 2HD ARG 12 -6.047 -22.193 -7.936 67 HE ARG 12 HE ARG 12 -8.471 -22.889 -6.658 68 HH11 ARG 12 1HH1 ARG 12 -5.581 -24.292 -7.999 69 HH12 ARG 12 2HH1 ARG 12 -5.617 -25.680 -6.963 70 HH21 ARG 12 1HH2 ARG 12 -8.530 -24.712 -5.289 71 HH22 ARG 12 2HH2 ARG 12 -7.296 -25.919 -5.423 72 HA PRO 13 HA PRO 13 -6.372 -14.911 -9.410 73 HB2 PRO 13 1HB PRO 13 -6.087 -14.308 -6.778 74 HB3 PRO 13 2HB PRO 13 -7.634 -14.200 -7.626 75 HG2 PRO 13 1HG PRO 13 -6.592 -16.377 -5.854 76 HG3 PRO 13 2HG PRO 13 -8.213 -15.658 -5.910 77 HD2 PRO 13 1HD PRO 13 -7.631 -18.033 -7.073 78 HD3 PRO 13 2HD PRO 13 -8.846 -16.919 -7.732 79 H LEU 14 H LEU 14 -4.406 -13.766 -8.387 80 HA LEU 14 HA LEU 14 -2.227 -15.733 -8.185 81 HB2 LEU 14 1HB LEU 14 -1.860 -12.832 -8.839 82 HB3 LEU 14 2HB LEU 14 -0.783 -14.185 -9.177 83 HG LEU 14 HG LEU 14 -1.670 -13.517 -11.255 84 HD11 LEU 14 1HD1 LEU 14 -2.930 -15.972 -10.112 85 HD12 LEU 14 2HD1 LEU 14 -1.649 -15.822 -11.314 86 HD13 LEU 14 3HD1 LEU 14 -3.318 -15.464 -11.756 87 HD21 LEU 14 3HD2 LEU 14 -3.859 -12.913 -11.703 88 HD22 LEU 14 1HD2 LEU 14 -3.620 -12.286 -10.073 89 HD23 LEU 14 2HD2 LEU 14 -4.497 -13.796 -10.316 90 H TRP 15 H TRP 15 -3.176 -12.516 -6.979 91 HA TRP 15 HA TRP 15 -1.260 -12.388 -4.926 92 HB2 TRP 15 1HB TRP 15 -3.959 -11.073 -4.735 93 HB3 TRP 15 2HB TRP 15 -2.403 -10.484 -4.157 94 HD1 TRP 15 HD TRP 15 -4.543 -10.694 -7.309 95 HE1 TRP 15 1HE TRP 15 -3.539 -9.139 -9.097 96 HE3 TRP 15 3HE TRP 15 -0.188 -9.441 -4.942 97 HZ2 TRP 15 2HZ TRP 15 -1.209 -7.586 -9.457 98 HZ3 TRP 15 3HZ TRP 15 1.374 -7.916 -6.077 99 HH2 TRP 15 HH TRP 15 0.873 -7.010 -8.287 100 H GLU 16 H GLU 16 -2.238 -12.008 -2.542 101 HA GLU 16 HA GLU 16 -3.609 -14.527 -1.869 102 HB2 GLU 16 1HB GLU 16 -1.447 -12.973 -0.497 103 HB3 GLU 16 2HB GLU 16 -2.518 -13.993 0.454 104 HG2 GLU 16 1HG GLU 16 -0.670 -15.335 -0.001 105 HG3 GLU 16 2HG GLU 16 -1.897 -15.866 -1.149 106 HA PRO 17 HA PRO 17 -6.979 -12.239 -0.213 107 HB2 PRO 17 1HB PRO 17 -7.902 -14.041 1.596 108 HB3 PRO 17 2HB PRO 17 -8.113 -14.236 -0.148 109 HG2 PRO 17 1HG PRO 17 -6.083 -15.481 1.666 110 HG3 PRO 17 2HG PRO 17 -7.015 -16.224 0.353 111 HD2 PRO 17 1HD PRO 17 -4.439 -15.445 0.052 112 HD3 PRO 17 2HD PRO 17 -5.613 -15.397 -1.279 113 H GLU 18 H GLU 18 -4.217 -13.020 1.562 114 HA GLU 18 HA GLU 18 -5.162 -11.817 4.043 115 HB2 GLU 18 1HB GLU 18 -3.771 -13.788 4.257 116 HB3 GLU 18 2HB GLU 18 -2.508 -13.047 3.285 117 HG2 GLU 18 1HG GLU 18 -1.901 -12.981 5.612 118 HG3 GLU 18 2HG GLU 18 -2.187 -11.345 5.021 119 H GLU 19 H GLU 19 -2.785 -11.214 1.487 120 HA GLU 19 HA GLU 19 -1.877 -8.751 2.632 121 HB2 GLU 19 1HB GLU 19 -1.437 -10.158 0.021 122 HB3 GLU 19 2HB GLU 19 -0.917 -8.490 0.221 123 HG2 GLU 19 1HG GLU 19 -0.041 -10.837 1.888 124 HG3 GLU 19 2HG GLU 19 0.908 -10.022 0.646 125 H THR 20 H THR 20 -2.319 -6.654 1.973 126 HA THR 20 HA THR 20 -4.982 -6.200 1.025 127 HB THR 20 HB THR 20 -2.843 -4.102 1.393 128 HG1 THR 20 1HG THR 20 -4.670 -4.984 3.384 129 HG21 THR 20 3HG2 THR 20 -5.021 -2.869 2.159 130 HG22 THR 20 1HG2 THR 20 -5.826 -4.111 1.201 131 HG23 THR 20 2HG2 THR 20 -4.656 -3.032 0.442 132 H VAL 21 H VAL 21 -5.526 -6.300 -1.047 133 HA VAL 21 HA VAL 21 -3.573 -5.404 -3.065 134 HB VAL 21 HB VAL 21 -5.867 -7.340 -3.412 135 HG11 VAL 21 1HG1 VAL 21 -5.399 -7.466 -5.646 136 HG12 VAL 21 2HG1 VAL 21 -5.007 -5.771 -5.352 137 HG13 VAL 21 3HG1 VAL 21 -3.719 -6.974 -5.435 138 HG21 VAL 21 3HG2 VAL 21 -2.965 -7.683 -2.874 139 HG22 VAL 21 1HG2 VAL 21 -4.340 -8.645 -2.330 140 HG23 VAL 21 2HG2 VAL 21 -3.742 -8.815 -3.981 141 H VAL 22 H VAL 22 -4.028 -3.546 -4.025 142 HA VAL 22 HA VAL 22 -6.833 -2.647 -4.108 143 HB VAL 22 HB VAL 22 -5.673 -0.356 -4.555 144 HG11 VAL 22 1HG1 VAL 22 -7.005 -0.772 -2.600 145 HG12 VAL 22 2HG1 VAL 22 -5.700 -1.696 -1.854 146 HG13 VAL 22 3HG1 VAL 22 -5.520 0.041 -2.107 147 HG21 VAL 22 3HG2 VAL 22 -3.410 -1.540 -4.725 148 HG22 VAL 22 1HG2 VAL 22 -3.488 -0.062 -3.765 149 HG23 VAL 22 2HG2 VAL 22 -3.470 -1.634 -2.965 150 H ILE 23 H ILE 23 -7.405 -1.270 -5.984 151 HA ILE 23 HA ILE 23 -5.905 -1.975 -8.412 152 HB ILE 23 HB ILE 23 -8.909 -1.897 -8.393 153 HG12 ILE 23 1HG1 ILE 23 -8.500 -4.518 -8.524 154 HG13 ILE 23 2HG1 ILE 23 -7.073 -4.106 -7.579 155 HG21 ILE 23 1HG2 ILE 23 -7.861 -3.682 -10.297 156 HG22 ILE 23 2HG2 ILE 23 -8.615 -2.115 -10.581 157 HG23 ILE 23 3HG2 ILE 23 -6.868 -2.226 -10.370 158 HD11 ILE 23 3HD1 ILE 23 -9.109 -4.780 -6.274 159 HD12 ILE 23 1HD1 ILE 23 -8.379 -3.241 -5.816 160 HD13 ILE 23 2HD1 ILE 23 -9.846 -3.265 -6.796 161 H ALA 24 H ALA 24 -5.996 -0.477 -10.101 162 HA ALA 24 HA ALA 24 -6.707 2.224 -9.250 163 HB1 ALA 24 3HB ALA 24 -4.448 1.708 -10.194 164 HB2 ALA 24 1HB ALA 24 -5.232 1.406 -11.745 165 HB3 ALA 24 2HB ALA 24 -5.309 3.010 -11.015 166 H LEU 25 H LEU 25 -8.462 3.247 -9.957 167 HA LEU 25 HA LEU 25 -10.310 1.967 -11.706 168 HB2 LEU 25 1HB LEU 25 -10.305 4.818 -10.730 169 HB3 LEU 25 2HB LEU 25 -11.676 3.945 -11.411 170 HG LEU 25 HG LEU 25 -10.391 2.868 -8.949 171 HD11 LEU 25 1HD1 LEU 25 -12.102 4.337 -7.697 172 HD12 LEU 25 2HD1 LEU 25 -12.015 5.376 -9.119 173 HD13 LEU 25 3HD1 LEU 25 -10.561 5.048 -8.177 174 HD21 LEU 25 3HD2 LEU 25 -13.276 3.020 -9.068 175 HD22 LEU 25 1HD2 LEU 25 -12.227 1.614 -8.892 176 HD23 LEU 25 2HD2 LEU 25 -12.607 2.233 -10.499 177 H TYR 26 H TYR 26 -7.863 4.427 -12.088 178 HA TYR 26 HA TYR 26 -8.342 4.384 -14.980 179 HB2 TYR 26 1HB TYR 26 -7.633 6.968 -13.625 180 HB3 TYR 26 2HB TYR 26 -8.331 6.711 -15.220 181 HD1 TYR 26 1HD TYR 26 -10.730 6.136 -15.442 182 HD2 TYR 26 2HD TYR 26 -9.012 7.144 -11.682 183 HE1 TYR 26 1HE TYR 26 -12.979 6.522 -14.525 184 HE2 TYR 26 2HE TYR 26 -11.257 7.531 -10.754 185 HH TYR 26 HH TYR 26 -13.553 6.923 -11.172 186 H ASP 27 H ASP 27 -6.482 5.142 -16.236 187 HA ASP 27 HA ASP 27 -4.027 4.134 -15.108 188 HB2 ASP 27 1HB ASP 27 -3.147 4.815 -17.442 189 HB3 ASP 27 2HB ASP 27 -4.316 3.501 -17.343 190 H TYR 28 H TYR 28 -3.222 5.517 -13.598 191 HA TYR 28 HA TYR 28 -3.129 8.354 -14.005 192 HB2 TYR 28 1HB TYR 28 -3.342 7.486 -11.752 193 HB3 TYR 28 2HB TYR 28 -1.839 6.585 -11.919 194 HD1 TYR 28 2HD TYR 28 -2.980 10.122 -12.373 195 HD2 TYR 28 1HD TYR 28 -0.033 7.479 -10.814 196 HE1 TYR 28 2HE TYR 28 -1.734 12.047 -11.483 197 HE2 TYR 28 1HE TYR 28 1.221 9.396 -9.918 198 HH TYR 28 HH TYR 28 1.006 11.641 -9.366 199 H GLN 29 H GLN 29 -1.348 9.642 -14.429 200 HA GLN 29 HA GLN 29 1.144 8.289 -15.181 201 HB2 GLN 29 1HB GLN 29 1.198 10.017 -17.132 202 HB3 GLN 29 2HB GLN 29 0.268 8.535 -17.311 203 HG2 GLN 29 1HG GLN 29 -1.778 9.682 -16.869 204 HG3 GLN 29 2HG GLN 29 -0.914 11.157 -16.438 205 HE21 GLN 29 1HE2 GLN 29 -1.135 12.637 -17.940 206 HE22 GLN 29 2HE2 GLN 29 -1.135 12.372 -19.647 207 H THR 30 H THR 30 3.016 9.535 -14.989 208 HA THR 30 HA THR 30 2.792 12.278 -14.046 209 HB THR 30 HB THR 30 2.713 11.408 -11.908 210 HG1 THR 30 1HG THR 30 4.488 12.343 -11.257 211 HG21 THR 30 3HG2 THR 30 2.898 9.190 -11.711 212 HG22 THR 30 1HG2 THR 30 4.641 9.430 -11.596 213 HG23 THR 30 2HG2 THR 30 3.901 9.076 -13.157 214 H ASN 31 H ASN 31 4.935 13.321 -13.827 215 HA ASN 31 HA ASN 31 6.840 12.154 -15.744 216 HB2 ASN 31 1HB ASN 31 6.763 15.068 -15.006 217 HB3 ASN 31 2HB ASN 31 7.415 14.315 -16.458 218 HD21 ASN 31 1HD2 ASN 31 4.654 15.636 -14.929 219 HD22 ASN 31 2HD2 ASN 31 3.560 15.468 -16.256 220 H ASP 32 H ASP 32 6.533 11.988 -12.671 221 HA ASP 32 HA ASP 32 9.286 12.808 -12.014 222 HB2 ASP 32 1HB ASP 32 6.771 12.737 -10.390 223 HB3 ASP 32 2HB ASP 32 8.324 12.531 -9.583 224 HA PRO 33 HA PRO 33 10.340 8.564 -11.536 225 HB2 PRO 33 1HB PRO 33 12.455 8.828 -9.855 226 HB3 PRO 33 2HB PRO 33 12.530 9.260 -11.567 227 HG2 PRO 33 1HG PRO 33 12.139 11.027 -9.183 228 HG3 PRO 33 2HG PRO 33 13.159 11.284 -10.611 229 HD2 PRO 33 1HD PRO 33 10.737 12.458 -10.321 230 HD3 PRO 33 2HD PRO 33 11.387 11.990 -11.905 231 H GLN 34 H GLN 34 10.069 10.542 -8.605 232 HA GLN 34 HA GLN 34 9.898 8.408 -6.773 233 HB2 GLN 34 1HB GLN 34 9.247 10.014 -5.167 234 HB3 GLN 34 2HB GLN 34 10.331 10.860 -6.263 235 HG2 GLN 34 1HG GLN 34 8.226 11.636 -7.472 236 HG3 GLN 34 2HG GLN 34 7.351 11.075 -6.048 237 HE21 GLN 34 1HE2 GLN 34 7.040 13.620 -6.579 238 HE22 GLN 34 2HE2 GLN 34 7.962 14.627 -5.521 239 H GLU 35 H GLU 35 7.611 9.776 -8.963 240 HA GLU 35 HA GLU 35 5.362 8.479 -7.614 241 HB2 GLU 35 1HB GLU 35 5.513 10.395 -9.941 242 HB3 GLU 35 2HB GLU 35 4.020 9.614 -9.438 243 HG2 GLU 35 1HG GLU 35 4.215 10.652 -7.237 244 HG3 GLU 35 2HG GLU 35 5.710 11.438 -7.742 245 H LEU 36 H LEU 36 3.975 7.020 -8.726 246 HA LEU 36 HA LEU 36 5.285 5.620 -10.965 247 HB2 LEU 36 1HB LEU 36 5.349 4.276 -8.960 248 HB3 LEU 36 2HB LEU 36 3.617 4.496 -8.721 249 HG LEU 36 HG LEU 36 3.524 3.325 -11.103 250 HD11 LEU 36 1HD1 LEU 36 5.237 1.854 -11.579 251 HD12 LEU 36 2HD1 LEU 36 5.870 1.892 -9.934 252 HD13 LEU 36 3HD1 LEU 36 6.117 3.271 -11.005 253 HD21 LEU 36 3HD2 LEU 36 2.307 2.176 -9.595 254 HD22 LEU 36 1HD2 LEU 36 3.528 2.329 -8.332 255 HD23 LEU 36 2HD2 LEU 36 3.706 1.101 -9.586 256 H ALA 37 H ALA 37 4.043 4.979 -12.690 257 HA ALA 37 HA ALA 37 1.467 6.306 -12.943 258 HB1 ALA 37 3HB ALA 37 3.555 5.836 -14.700 259 HB2 ALA 37 1HB ALA 37 2.286 4.735 -15.236 260 HB3 ALA 37 2HB ALA 37 1.958 6.464 -15.109 261 H LEU 38 H LEU 38 -0.256 5.250 -12.202 262 HA LEU 38 HA LEU 38 -0.353 2.398 -11.984 263 HB2 LEU 38 1HB LEU 38 -2.412 4.552 -11.565 264 HB3 LEU 38 2HB LEU 38 -2.744 2.839 -11.319 265 HG LEU 38 HG LEU 38 -0.654 4.406 -9.810 266 HD11 LEU 38 1HD1 LEU 38 -2.726 5.310 -9.144 267 HD12 LEU 38 2HD1 LEU 38 -2.305 4.121 -7.912 268 HD13 LEU 38 3HD1 LEU 38 -3.506 3.728 -9.142 269 HD21 LEU 38 3HD2 LEU 38 -1.005 2.361 -8.261 270 HD22 LEU 38 1HD2 LEU 38 0.004 2.188 -9.697 271 HD23 LEU 38 2HD2 LEU 38 -1.654 1.587 -9.708 272 H ARG 39 H ARG 39 -2.120 1.090 -12.915 273 HA ARG 39 HA ARG 39 -2.779 1.977 -15.648 274 HB2 ARG 39 1HB ARG 39 -1.116 0.168 -15.639 275 HB3 ARG 39 2HB ARG 39 -2.205 -0.832 -14.686 276 HG2 ARG 39 1HG ARG 39 -2.552 -1.649 -16.801 277 HG3 ARG 39 2HG ARG 39 -3.847 -0.458 -16.669 278 HD2 ARG 39 1HD ARG 39 -2.824 -0.174 -18.803 279 HD3 ARG 39 2HD ARG 39 -2.336 1.186 -17.793 280 HE ARG 39 HE ARG 39 -0.317 -0.572 -17.452 281 HH11 ARG 39 1HH1 ARG 39 -1.877 0.739 -20.275 282 HH12 ARG 39 2HH1 ARG 39 -0.457 0.644 -21.263 283 HH21 ARG 39 1HH2 ARG 39 1.558 -0.702 -18.744 284 HH22 ARG 39 2HH2 ARG 39 1.496 -0.177 -20.392 285 H ARG 40 H ARG 40 -4.850 1.788 -16.327 286 HA ARG 40 HA ARG 40 -6.910 1.520 -14.423 287 HB2 ARG 40 1HB ARG 40 -7.122 2.869 -16.474 288 HB3 ARG 40 2HB ARG 40 -7.089 1.399 -17.438 289 HG2 ARG 40 1HG ARG 40 -9.214 0.791 -16.840 290 HG3 ARG 40 2HG ARG 40 -9.152 1.672 -15.312 291 HD2 ARG 40 1HD ARG 40 -10.537 3.046 -16.501 292 HD3 ARG 40 2HD ARG 40 -8.977 3.756 -16.915 293 HE ARG 40 HE ARG 40 -9.237 3.012 -19.077 294 HH11 ARG 40 1HH1 ARG 40 -11.656 1.569 -17.032 295 HH12 ARG 40 2HH1 ARG 40 -12.573 0.921 -18.351 296 HH21 ARG 40 1HH2 ARG 40 -10.435 2.165 -20.823 297 HH22 ARG 40 2HH2 ARG 40 -11.877 1.260 -20.508 298 H ASN 41 H ASN 41 -7.933 -0.211 -13.660 299 HA ASN 41 HA ASN 41 -8.754 -2.328 -13.454 300 HB2 ASN 41 1HB ASN 41 -7.918 -2.841 -16.309 301 HB3 ASN 41 2HB ASN 41 -9.175 -3.660 -15.386 302 HD21 ASN 41 1HD2 ASN 41 -9.741 -2.663 -17.841 303 HD22 ASN 41 2HD2 ASN 41 -10.783 -1.292 -17.701 304 H GLU 42 H GLU 42 -6.140 -1.729 -12.657 305 HA GLU 42 HA GLU 42 -4.886 -4.366 -12.969 306 HB2 GLU 42 1HB GLU 42 -3.638 -1.676 -13.381 307 HB3 GLU 42 2HB GLU 42 -2.659 -2.995 -12.754 308 HG2 GLU 42 1HG GLU 42 -3.698 -4.273 -14.818 309 HG3 GLU 42 2HG GLU 42 -3.862 -2.631 -15.439 310 H GLU 43 H GLU 43 -4.371 -5.296 -11.093 311 HA GLU 43 HA GLU 43 -4.896 -3.909 -8.631 312 HB2 GLU 43 1HB GLU 43 -3.804 -6.689 -9.102 313 HB3 GLU 43 2HB GLU 43 -4.372 -6.059 -7.562 314 HG2 GLU 43 1HG GLU 43 -6.222 -7.196 -8.216 315 HG3 GLU 43 2HG GLU 43 -6.574 -5.626 -8.937 316 H TYR 44 H TYR 44 -3.348 -3.954 -6.808 317 HA TYR 44 HA TYR 44 -0.533 -4.073 -7.468 318 HB2 TYR 44 1HB TYR 44 -1.901 -1.472 -6.782 319 HB3 TYR 44 2HB TYR 44 -0.167 -1.714 -6.602 320 HD1 TYR 44 1HD TYR 44 -2.919 -1.761 -9.096 321 HD2 TYR 44 2HD TYR 44 1.273 -1.461 -8.438 322 HE1 TYR 44 1HE TYR 44 -2.597 -1.162 -11.460 323 HE2 TYR 44 2HE TYR 44 1.607 -0.860 -10.800 324 HH TYR 44 HH TYR 44 -0.173 0.310 -12.670 325 H CYS 45 H CYS 45 0.719 -4.496 -5.715 326 HA CYS 45 HA CYS 45 -0.622 -5.187 -3.272 327 HB2 CYS 45 1HB CYS 45 1.418 -6.345 -4.427 328 HB3 CYS 45 2HB CYS 45 2.363 -5.135 -3.567 329 HG CYS 45 HG CYS 45 2.528 -7.450 -2.078 330 H LEU 46 H LEU 46 -0.974 -3.883 -1.612 331 HA LEU 46 HA LEU 46 0.111 -1.236 -1.535 332 HB2 LEU 46 1HB LEU 46 -2.181 -2.218 -0.673 333 HB3 LEU 46 2HB LEU 46 -1.263 -2.444 0.814 334 HG LEU 46 HG LEU 46 -1.530 0.216 -0.574 335 HD11 LEU 46 1HD1 LEU 46 -3.020 -0.080 1.887 336 HD12 LEU 46 2HD1 LEU 46 -3.593 -1.183 0.637 337 HD13 LEU 46 3HD1 LEU 46 -3.535 0.551 0.323 338 HD21 LEU 46 3HD2 LEU 46 -0.544 1.140 1.297 339 HD22 LEU 46 1HD2 LEU 46 0.344 -0.375 1.133 340 HD23 LEU 46 2HD2 LEU 46 -0.951 -0.237 2.323 341 H LEU 47 H LEU 47 2.174 -0.933 -0.990 342 HA LEU 47 HA LEU 47 3.620 -2.695 0.725 343 HB2 LEU 47 1HB LEU 47 4.295 0.043 -0.336 344 HB3 LEU 47 2HB LEU 47 5.416 -0.992 0.545 345 HG LEU 47 HG LEU 47 4.158 -1.699 -2.104 346 HD11 LEU 47 1HD1 LEU 47 6.058 0.229 -1.696 347 HD12 LEU 47 2HD1 LEU 47 5.823 -0.681 -3.188 348 HD13 LEU 47 3HD1 LEU 47 7.032 -1.207 -2.017 349 HD21 LEU 47 3HD2 LEU 47 6.501 -3.134 -1.705 350 HD22 LEU 47 1HD2 LEU 47 4.852 -3.748 -1.588 351 HD23 LEU 47 2HD2 LEU 47 5.684 -3.177 -0.142 352 H ASP 48 H ASP 48 2.734 0.744 1.082 353 HA ASP 48 HA ASP 48 2.077 0.353 3.860 354 HB2 ASP 48 1HB ASP 48 4.559 1.846 3.035 355 HB3 ASP 48 2HB ASP 48 3.725 2.211 4.543 356 H SER 49 H SER 49 0.593 1.800 4.520 357 HA SER 49 HA SER 49 -0.149 3.905 2.624 358 HB2 SER 49 1HB SER 49 -2.317 3.889 3.634 359 HB3 SER 49 2HB SER 49 -1.846 2.203 3.424 360 HG SER 49 HG SER 49 -1.420 2.055 5.584 361 H SER 50 H SER 50 2.138 4.234 4.347 362 HA SER 50 HA SER 50 1.950 5.554 6.673 363 HB2 SER 50 1HB SER 50 4.082 5.285 5.533 364 HB3 SER 50 2HB SER 50 3.597 6.438 4.290 365 HG SER 50 HG SER 50 4.895 7.454 5.837 366 H GLU 51 H GLU 51 1.488 7.150 3.519 367 HA GLU 51 HA GLU 51 0.365 9.484 4.858 368 HB2 GLU 51 1HB GLU 51 1.355 8.890 2.107 369 HB3 GLU 51 2HB GLU 51 0.176 10.178 2.305 370 HG2 GLU 51 1HG GLU 51 2.204 11.283 2.418 371 HG3 GLU 51 2HG GLU 51 1.760 11.077 4.111 372 H ILE 52 H ILE 52 -1.540 10.475 3.411 373 HA ILE 52 HA ILE 52 -3.609 8.385 3.342 374 HB ILE 52 HB ILE 52 -3.959 11.368 3.661 375 HG12 ILE 52 1HG1 ILE 52 -4.464 9.263 5.754 376 HG13 ILE 52 2HG1 ILE 52 -2.888 10.027 5.579 377 HG21 ILE 52 1HG2 ILE 52 -5.872 10.397 2.579 378 HG22 ILE 52 2HG2 ILE 52 -5.935 9.097 3.767 379 HG23 ILE 52 3HG2 ILE 52 -6.289 10.754 4.254 380 HD11 ILE 52 3HD1 ILE 52 -5.022 10.929 7.092 381 HD12 ILE 52 1HD1 ILE 52 -3.559 11.824 6.684 382 HD13 ILE 52 2HD1 ILE 52 -5.001 11.987 5.682 383 H HIS 53 H HIS 53 -2.835 11.480 1.739 384 HA HIS 53 HA HIS 53 -4.474 10.945 -0.520 385 HB2 HIS 53 1HB HIS 53 -2.157 12.866 -0.525 386 HB3 HIS 53 2HB HIS 53 -3.681 12.981 -1.402 387 HD1 HIS 53 1HD HIS 53 -5.826 13.543 0.104 388 HD2 HIS 53 2HD HIS 53 -2.127 14.112 1.908 389 HE1 HIS 53 1HE HIS 53 -6.272 14.996 2.108 390 HE2 HIS 53 2HE HIS 53 -4.007 15.397 3.134 391 H TRP 54 H TRP 54 -1.159 10.258 0.290 392 HA TRP 54 HA TRP 54 -0.803 9.043 -2.372 393 HB2 TRP 54 1HB TRP 54 1.357 10.190 -0.590 394 HB3 TRP 54 2HB TRP 54 1.592 9.480 -2.184 395 HD1 TRP 54 HD TRP 54 1.188 12.739 -0.573 396 HE1 TRP 54 1HE TRP 54 0.631 14.564 -2.301 397 HE3 TRP 54 3HE TRP 54 -0.018 9.756 -4.546 398 HZ2 TRP 54 2HZ TRP 54 -0.209 14.718 -4.991 399 HZ3 TRP 54 3HZ TRP 54 -0.688 10.821 -6.660 400 HH2 TRP 54 HH TRP 54 -0.782 13.251 -6.876 401 H TRP 55 H TRP 55 -0.611 6.908 -2.363 402 HA TRP 55 HA TRP 55 0.234 5.590 0.134 403 HB2 TRP 55 1HB TRP 55 -1.871 4.919 -1.871 404 HB3 TRP 55 2HB TRP 55 -1.038 3.591 -1.067 405 HD1 TRP 55 HD TRP 55 -1.318 6.451 1.255 406 HE1 TRP 55 1HE TRP 55 -3.243 6.075 2.922 407 HE3 TRP 55 3HE TRP 55 -3.629 2.513 -1.045 408 HZ2 TRP 55 2HZ TRP 55 -5.448 4.339 3.223 409 HZ3 TRP 55 3HZ TRP 55 -5.640 1.552 -0.003 410 HH2 TRP 55 HH TRP 55 -6.529 2.448 2.088 411 H ARG 56 H ARG 56 1.804 4.043 0.061 412 HA ARG 56 HA ARG 56 3.376 3.930 -2.383 413 HB2 ARG 56 1HB ARG 56 4.239 4.244 0.073 414 HB3 ARG 56 2HB ARG 56 4.113 2.491 0.137 415 HG2 ARG 56 1HG ARG 56 5.619 2.315 -1.783 416 HG3 ARG 56 2HG ARG 56 5.750 4.074 -1.833 417 HD2 ARG 56 1HD ARG 56 6.924 4.162 0.183 418 HD3 ARG 56 2HD ARG 56 6.412 2.543 0.657 419 HE ARG 56 HE ARG 56 8.127 1.654 -0.599 420 HH11 ARG 56 1HH1 ARG 56 7.799 5.054 -1.270 421 HH12 ARG 56 2HH1 ARG 56 9.286 5.155 -2.155 422 HH21 ARG 56 1HH2 ARG 56 10.086 1.774 -1.761 423 HH22 ARG 56 2HH2 ARG 56 10.585 3.289 -2.434 424 H VAL 57 H VAL 57 2.902 2.430 -3.841 425 HA VAL 57 HA VAL 57 2.234 -0.279 -2.897 426 HB VAL 57 HB VAL 57 0.618 -0.584 -4.607 427 HG11 VAL 57 1HG1 VAL 57 -0.372 0.496 -2.763 428 HG12 VAL 57 2HG1 VAL 57 0.315 2.059 -3.207 429 HG13 VAL 57 3HG1 VAL 57 -0.971 1.350 -4.183 430 HG21 VAL 57 3HG2 VAL 57 0.195 1.717 -5.989 431 HG22 VAL 57 1HG2 VAL 57 1.949 1.738 -5.812 432 HG23 VAL 57 2HG2 VAL 57 1.157 0.361 -6.576 433 H GLN 58 H GLN 58 2.445 -1.885 -4.811 434 HA GLN 58 HA GLN 58 4.757 -1.187 -6.482 435 HB2 GLN 58 1HB GLN 58 5.698 -2.399 -4.639 436 HB3 GLN 58 2HB GLN 58 4.455 -3.638 -4.747 437 HG2 GLN 58 1HG GLN 58 5.336 -4.302 -6.943 438 HG3 GLN 58 2HG GLN 58 6.611 -3.096 -6.775 439 HE21 GLN 58 1HE2 GLN 58 8.107 -3.352 -5.000 440 HE22 GLN 58 2HE2 GLN 58 8.477 -4.936 -4.420 441 H ASP 59 H ASP 59 4.785 -2.078 -8.506 442 HA ASP 59 HA ASP 59 2.288 -3.106 -9.488 443 HB2 ASP 59 1HB ASP 59 3.782 -1.515 -10.751 444 HB3 ASP 59 2HB ASP 59 4.898 -2.857 -10.992 445 H ARG 60 H ARG 60 2.469 -4.995 -11.149 446 HA ARG 60 HA ARG 60 3.177 -7.318 -9.653 447 HB2 ARG 60 1HB ARG 60 2.439 -8.548 -11.689 448 HB3 ARG 60 2HB ARG 60 1.251 -7.396 -11.094 449 HG2 ARG 60 1HG ARG 60 1.631 -5.912 -12.855 450 HG3 ARG 60 2HG ARG 60 3.166 -6.671 -13.280 451 HD2 ARG 60 1HD ARG 60 1.753 -8.760 -13.782 452 HD3 ARG 60 2HD ARG 60 0.376 -7.658 -13.768 453 HE ARG 60 HE ARG 60 2.033 -6.437 -15.476 454 HH11 ARG 60 1HH1 ARG 60 0.993 -9.751 -15.237 455 HH12 ARG 60 2HH1 ARG 60 1.120 -10.050 -16.939 456 HH21 ARG 60 1HH2 ARG 60 2.205 -6.819 -17.719 457 HH22 ARG 60 2HH2 ARG 60 1.811 -8.382 -18.349 458 H ASN 61 H ASN 61 4.810 -5.347 -11.942 459 HA ASN 61 HA ASN 61 6.740 -7.407 -12.642 460 HB2 ASN 61 1HB ASN 61 6.188 -4.615 -13.555 461 HB3 ASN 61 2HB ASN 61 7.797 -5.284 -13.813 462 HD21 ASN 61 1HD2 ASN 61 6.093 -4.535 -15.880 463 HD22 ASN 61 2HD2 ASN 61 5.640 -5.949 -16.763 464 H GLY 62 H GLY 62 6.578 -4.397 -10.793 465 HA2 GLY 62 1HA GLY 62 8.010 -4.681 -8.680 466 HA3 GLY 62 2HA GLY 62 9.320 -4.890 -9.833 467 H HIS 63 H HIS 63 6.598 -2.622 -9.937 468 HA HIS 63 HA HIS 63 8.554 -0.420 -9.823 469 HB2 HIS 63 1HB HIS 63 5.925 -0.260 -11.284 470 HB3 HIS 63 2HB HIS 63 7.329 0.793 -11.440 471 HD1 HIS 63 1HD HIS 63 5.896 -0.790 -13.802 472 HD2 HIS 63 2HD HIS 63 9.424 -1.871 -11.891 473 HE1 HIS 63 1HE HIS 63 7.126 -2.252 -15.437 474 HE2 HIS 63 2HE HIS 63 9.217 -2.963 -14.227 475 H GLU 64 H GLU 64 8.377 0.571 -7.925 476 HA GLU 64 HA GLU 64 5.701 0.883 -6.742 477 HB2 GLU 64 1HB GLU 64 8.293 1.252 -5.261 478 HB3 GLU 64 2HB GLU 64 6.693 0.941 -4.604 479 HG2 GLU 64 1HG GLU 64 7.715 -1.096 -4.345 480 HG3 GLU 64 2HG GLU 64 6.880 -1.305 -5.884 481 H GLY 65 H GLY 65 5.477 2.907 -5.370 482 HA2 GLY 65 1HA GLY 65 6.939 5.193 -5.518 483 HA3 GLY 65 2HA GLY 65 6.073 5.173 -7.047 484 H TYR 66 H TYR 66 5.358 7.269 -5.911 485 HA TYR 66 HA TYR 66 3.214 6.825 -3.981 486 HB2 TYR 66 1HB TYR 66 4.467 9.353 -5.067 487 HB3 TYR 66 2HB TYR 66 3.126 9.335 -3.927 488 HD1 TYR 66 1HD TYR 66 3.827 7.288 -2.020 489 HD2 TYR 66 2HD TYR 66 6.348 10.114 -3.959 490 HE1 TYR 66 1HE TYR 66 5.416 7.146 -0.148 491 HE2 TYR 66 2HE TYR 66 7.945 9.979 -2.093 492 HH TYR 66 HH TYR 66 7.581 7.624 0.470 493 H VAL 67 H VAL 67 1.136 6.758 -4.522 494 HA VAL 67 HA VAL 67 0.284 7.954 -7.069 495 HB VAL 67 HB VAL 67 -1.319 5.982 -7.288 496 HG11 VAL 67 1HG1 VAL 67 1.631 5.866 -7.750 497 HG12 VAL 67 2HG1 VAL 67 0.614 4.489 -8.178 498 HG13 VAL 67 3HG1 VAL 67 0.322 6.066 -8.914 499 HG21 VAL 67 3HG2 VAL 67 0.680 4.706 -5.422 500 HG22 VAL 67 1HG2 VAL 67 -0.989 5.105 -5.014 501 HG23 VAL 67 2HG2 VAL 67 -0.649 3.891 -6.247 502 HA PRO 68 HA PRO 68 -3.052 9.686 -4.798 503 HB2 PRO 68 1HB PRO 68 -4.993 9.760 -6.695 504 HB3 PRO 68 2HB PRO 68 -3.594 10.841 -6.709 505 HG2 PRO 68 1HG PRO 68 -4.057 8.321 -8.258 506 HG3 PRO 68 2HG PRO 68 -3.371 9.861 -8.807 507 HD2 PRO 68 1HD PRO 68 -1.833 7.721 -8.183 508 HD3 PRO 68 2HD PRO 68 -1.292 9.393 -7.927 509 H SER 69 H SER 69 -3.719 8.288 -3.224 510 HA SER 69 HA SER 69 -4.717 5.784 -3.338 511 HB2 SER 69 1HB SER 69 -5.702 6.128 -1.223 512 HB3 SER 69 2HB SER 69 -4.393 7.309 -1.288 513 HG SER 69 HG SER 69 -5.939 8.885 -1.856 514 H SER 70 H SER 70 -6.373 8.700 -4.295 515 HA SER 70 HA SER 70 -9.011 7.899 -4.330 516 HB2 SER 70 1HB SER 70 -8.200 10.183 -4.901 517 HB3 SER 70 2HB SER 70 -7.647 9.566 -6.458 518 HG SER 70 HG SER 70 -10.294 9.066 -5.754 519 H TYR 71 H TYR 71 -6.543 7.380 -6.827 520 HA TYR 71 HA TYR 71 -8.246 6.032 -8.639 521 HB2 TYR 71 1HB TYR 71 -5.258 6.177 -8.317 522 HB3 TYR 71 2HB TYR 71 -5.994 5.146 -9.539 523 HD1 TYR 71 1HD TYR 71 -7.033 8.538 -8.408 524 HD2 TYR 71 2HD TYR 71 -5.440 6.168 -11.562 525 HE1 TYR 71 1HE TYR 71 -7.193 10.464 -9.929 526 HE2 TYR 71 2HE TYR 71 -5.595 8.088 -13.091 527 HH TYR 71 HH TYR 71 -5.709 10.501 -13.010 528 H LEU 72 H LEU 72 -6.076 4.904 -6.085 529 HA LEU 72 HA LEU 72 -6.413 2.137 -6.617 530 HB2 LEU 72 1HB LEU 72 -5.634 3.487 -4.037 531 HB3 LEU 72 2HB LEU 72 -5.397 1.786 -4.435 532 HG LEU 72 HG LEU 72 -4.082 4.045 -5.934 533 HD11 LEU 72 1HD1 LEU 72 -2.039 3.349 -4.657 534 HD12 LEU 72 2HD1 LEU 72 -3.104 2.443 -3.582 535 HD13 LEU 72 3HD1 LEU 72 -3.263 4.194 -3.709 536 HD21 LEU 72 3HD2 LEU 72 -3.498 2.431 -7.340 537 HD22 LEU 72 1HD2 LEU 72 -4.289 1.215 -6.337 538 HD23 LEU 72 2HD2 LEU 72 -2.609 1.655 -6.029 539 H VAL 73 H VAL 73 -7.751 0.623 -5.684 540 HA VAL 73 HA VAL 73 -9.817 1.572 -3.832 541 HB VAL 73 HB VAL 73 -11.621 0.769 -5.067 542 HG11 VAL 73 1HG1 VAL 73 -11.627 2.081 -6.954 543 HG12 VAL 73 2HG1 VAL 73 -10.259 2.767 -6.075 544 HG13 VAL 73 3HG1 VAL 73 -9.980 1.637 -7.401 545 HG21 VAL 73 3HG2 VAL 73 -11.057 -0.502 -7.310 546 HG22 VAL 73 1HG2 VAL 73 -9.579 -0.904 -6.437 547 HG23 VAL 73 2HG2 VAL 73 -11.147 -1.357 -5.770 548 H GLU 74 H GLU 74 -10.608 0.031 -2.421 549 HA GLU 74 HA GLU 74 -8.910 -2.233 -1.970 550 HB2 GLU 74 1HB GLU 74 -10.261 -0.702 -0.282 551 HB3 GLU 74 2HB GLU 74 -11.509 -1.912 -0.540 552 HG2 GLU 74 1HG GLU 74 -9.523 -3.568 -0.033 553 HG3 GLU 74 2HG GLU 74 -8.874 -2.157 0.801 554 H LYS 75 H LYS 75 -9.089 -4.087 -3.023 555 HA LYS 75 HA LYS 75 -10.962 -4.890 -4.804 556 HB2 LYS 75 1HB LYS 75 -8.857 -6.097 -4.363 557 HB3 LYS 75 2HB LYS 75 -9.530 -6.710 -2.858 558 HG2 LYS 75 1HG LYS 75 -9.899 -8.495 -4.224 559 HG3 LYS 75 2HG LYS 75 -11.414 -7.617 -4.451 560 HD2 LYS 75 1HD LYS 75 -10.794 -6.845 -6.555 561 HD3 LYS 75 2HD LYS 75 -9.075 -7.106 -6.252 562 HE2 LYS 75 1HE LYS 75 -9.257 -9.419 -6.554 563 HE3 LYS 75 2HE LYS 75 -11.009 -9.397 -6.355 564 HZ1 LYS 75 3HZ LYS 75 -11.111 -8.112 -8.465 565 HZ2 LYS 75 1HZ LYS 75 -10.535 -9.692 -8.648 566 HZ3 LYS 75 2HZ LYS 75 -9.455 -8.390 -8.672 567 H SER 76 H SER 76 -13.101 -4.679 -4.472 568 HA SER 76 HA SER 76 -14.635 -4.755 -2.290 569 HB2 SER 76 1HB SER 76 -15.301 -6.156 -4.891 570 HB3 SER 76 2HB SER 76 -16.476 -5.705 -3.656 571 HG SER 76 HG SER 76 -16.501 -3.795 -4.502 572 HA PRO 77 HA PRO 77 -14.234 -8.640 -0.265 573 HB2 PRO 77 1HB PRO 77 -16.576 -8.659 1.109 574 HB3 PRO 77 2HB PRO 77 -15.212 -7.625 1.550 575 HG2 PRO 77 1HG PRO 77 -17.683 -6.944 0.004 576 HG3 PRO 77 2HG PRO 77 -16.868 -6.016 1.277 577 HD2 PRO 77 1HD PRO 77 -16.569 -5.453 -1.355 578 HD3 PRO 77 2HD PRO 77 -15.273 -5.193 -0.169 579 H ASN 78 H ASN 78 -15.036 -10.772 -0.271 580 HA ASN 78 HA ASN 78 -17.453 -11.427 -1.696 581 HB2 ASN 78 1HB ASN 78 -15.508 -11.037 -3.406 582 HB3 ASN 78 2HB ASN 78 -14.956 -12.617 -2.856 583 HD21 ASN 78 1HD2 ASN 78 -15.312 -13.362 -4.999 584 HD22 ASN 78 2HD2 ASN 78 -16.903 -13.769 -5.534 585 H ASN 79 H ASN 79 -18.258 -13.361 -1.066 586 HA ASN 79 HA ASN 79 -18.531 -15.069 0.452 587 HB2 ASN 79 1HB ASN 79 -16.948 -16.952 -0.000 588 HB3 ASN 79 2HB ASN 79 -17.656 -16.258 -1.456 589 HD21 ASN 79 1HD2 ASN 79 -16.359 -15.401 -2.973 590 HD22 ASN 79 2HD2 ASN 79 -14.638 -15.319 -2.854 591 H LEU 80 H LEU 80 -17.493 -12.952 1.817 592 HA LEU 80 HA LEU 80 -15.656 -14.276 3.695 593 HB2 LEU 80 1HB LEU 80 -14.753 -12.348 2.137 594 HB3 LEU 80 2HB LEU 80 -15.529 -11.323 3.342 595 HG LEU 80 HG LEU 80 -13.344 -11.414 4.087 596 HD11 LEU 80 1HD1 LEU 80 -14.960 -12.093 5.838 597 HD12 LEU 80 2HD1 LEU 80 -13.334 -12.721 6.102 598 HD13 LEU 80 3HD1 LEU 80 -14.595 -13.780 5.472 599 HD21 LEU 80 3HD2 LEU 80 -12.361 -13.925 4.268 600 HD22 LEU 80 1HD2 LEU 80 -12.086 -12.851 2.897 601 HD23 LEU 80 2HD2 LEU 80 -13.358 -14.070 2.820 602 H GLU 81 H GLU 81 -16.751 -14.606 5.510 603 HA GLU 81 HA GLU 81 -18.828 -12.699 6.305 604 HB2 GLU 81 1HB GLU 81 -18.283 -15.571 6.896 605 HB3 GLU 81 2HB GLU 81 -19.149 -14.627 8.100 606 HG2 GLU 81 1HG GLU 81 -19.962 -15.074 5.238 607 HG3 GLU 81 2HG GLU 81 -20.714 -15.765 6.675 608 H THR 82 H THR 82 -17.327 -11.084 7.013 609 HA THR 82 HA THR 82 -16.414 -11.565 9.748 610 HB THR 82 HB THR 82 -14.620 -10.202 7.737 611 HG1 THR 82 1HG THR 82 -14.567 -12.877 8.722 612 HG21 THR 82 3HG2 THR 82 -13.123 -9.916 9.427 613 HG22 THR 82 1HG2 THR 82 -13.631 -11.377 10.273 614 HG23 THR 82 2HG2 THR 82 -14.597 -9.907 10.396 615 H TYR 83 H TYR 83 -16.474 -9.774 11.069 616 HA TYR 83 HA TYR 83 -17.505 -7.298 9.845 617 HB2 TYR 83 1HB TYR 83 -18.352 -8.735 12.344 618 HB3 TYR 83 2HB TYR 83 -18.606 -7.001 12.182 619 HD1 TYR 83 2HD TYR 83 -19.022 -9.929 9.888 620 HD2 TYR 83 1HD TYR 83 -20.797 -6.506 11.685 621 HE1 TYR 83 2HE TYR 83 -21.097 -10.356 8.638 622 HE2 TYR 83 1HE TYR 83 -22.877 -6.923 10.440 623 HH TYR 83 HH TYR 83 -23.265 -8.400 7.948 624 H GLU 84 H GLU 84 -16.374 -5.508 10.232 625 HA GLU 84 HA GLU 84 -14.121 -5.656 12.077 626 HB2 GLU 84 1HB GLU 84 -14.872 -3.828 9.821 627 HB3 GLU 84 2HB GLU 84 -13.670 -3.325 11.001 628 HG2 GLU 84 1HG GLU 84 -12.403 -4.242 9.297 629 HG3 GLU 84 2HG GLU 84 -12.511 -5.551 10.472 630 H TRP 85 H TRP 85 -15.229 -5.502 14.058 631 HA TRP 85 HA TRP 85 -16.438 -2.867 14.589 632 HB2 TRP 85 1HB TRP 85 -17.911 -4.931 14.828 633 HB3 TRP 85 2HB TRP 85 -16.910 -5.368 16.210 634 HD1 TRP 85 HD TRP 85 -19.809 -3.204 15.226 635 HE1 TRP 85 1HE TRP 85 -20.625 -1.863 17.266 636 HE3 TRP 85 3HE TRP 85 -15.941 -4.162 18.428 637 HZ2 TRP 85 2HZ TRP 85 -19.745 -1.288 19.886 638 HZ3 TRP 85 3HZ TRP 85 -16.004 -3.179 20.682 639 HH2 TRP 85 HH TRP 85 -17.867 -1.771 21.394 Start of MODEL 2 1 H1 GLY 1 H GLY 1 0.908 -37.507 -32.252 2 HA2 GLY 1 1HA GLY 1 0.256 -34.776 -31.785 3 HA3 GLY 1 2HA GLY 1 -0.977 -35.832 -31.113 4 H SER 2 H SER 2 0.273 -34.269 -29.366 5 HA SER 2 HA SER 2 1.683 -36.176 -27.712 6 HB2 SER 2 1HB SER 2 3.559 -35.264 -28.943 7 HB3 SER 2 2HB SER 2 3.015 -33.617 -28.628 8 HG SER 2 HG SER 2 3.862 -35.500 -26.678 9 H SER 3 H SER 3 1.038 -35.942 -25.676 10 HA SER 3 HA SER 3 0.000 -33.318 -24.827 11 HB2 SER 3 1HB SER 3 -1.203 -36.034 -24.602 12 HB3 SER 3 2HB SER 3 -1.436 -34.927 -23.249 13 HG SER 3 HG SER 3 -1.925 -34.083 -25.890 14 H GLY 4 H GLY 4 0.461 -32.651 -22.746 15 HA2 GLY 4 1HA GLY 4 1.596 -34.301 -20.747 16 HA3 GLY 4 2HA GLY 4 2.875 -33.459 -21.610 17 H SER 5 H SER 5 -0.348 -32.619 -20.328 18 HA SER 5 HA SER 5 0.709 -30.045 -19.456 19 HB2 SER 5 1HB SER 5 -2.014 -31.177 -19.906 20 HB3 SER 5 2HB SER 5 -1.849 -29.868 -18.736 21 HG SER 5 HG SER 5 -0.631 -28.794 -20.525 22 H SER 6 H SER 6 1.428 -29.743 -17.465 23 HA SER 6 HA SER 6 0.538 -31.589 -15.350 24 HB2 SER 6 1HB SER 6 2.651 -31.075 -14.206 25 HB3 SER 6 2HB SER 6 2.950 -31.692 -15.831 26 HG SER 6 HG SER 6 3.957 -29.554 -14.890 27 H GLY 7 H GLY 7 -1.034 -30.679 -14.187 28 HA2 GLY 7 1HA GLY 7 -0.563 -28.380 -12.612 29 HA3 GLY 7 2HA GLY 7 -1.581 -27.950 -13.979 30 H GLU 8 H GLU 8 -3.303 -29.927 -14.296 31 HA GLU 8 HA GLU 8 -5.354 -30.580 -13.527 32 HB2 GLU 8 1HB GLU 8 -3.662 -31.515 -11.203 33 HB3 GLU 8 2HB GLU 8 -5.276 -32.092 -11.595 34 HG2 GLU 8 1HG GLU 8 -3.034 -32.313 -13.564 35 HG3 GLU 8 2HG GLU 8 -3.260 -33.512 -12.292 36 H ASP 9 H ASP 9 -4.866 -27.885 -13.010 37 HA ASP 9 HA ASP 9 -6.307 -27.532 -10.465 38 HB2 ASP 9 1HB ASP 9 -5.134 -25.268 -10.352 39 HB3 ASP 9 2HB ASP 9 -4.144 -26.685 -10.014 40 H ASN 10 H ASN 10 -8.321 -26.979 -10.967 41 HA ASN 10 HA ASN 10 -9.297 -26.050 -13.355 42 HB2 ASN 10 1HB ASN 10 -10.424 -25.246 -10.669 43 HB3 ASN 10 2HB ASN 10 -11.299 -25.419 -12.188 44 HD21 ASN 10 1HD2 ASN 10 -10.706 -27.740 -13.183 45 HD22 ASN 10 2HD2 ASN 10 -11.036 -29.038 -12.092 46 H ARG 11 H ARG 11 -8.596 -24.019 -10.505 47 HA ARG 11 HA ARG 11 -7.461 -21.938 -12.085 48 HB2 ARG 11 1HB ARG 11 -9.160 -20.213 -11.630 49 HB3 ARG 11 2HB ARG 11 -9.789 -21.505 -12.642 50 HG2 ARG 11 1HG ARG 11 -10.603 -22.484 -10.353 51 HG3 ARG 11 2HG ARG 11 -10.450 -20.807 -9.828 52 HD2 ARG 11 1HD ARG 11 -11.932 -20.095 -11.623 53 HD3 ARG 11 2HD ARG 11 -12.053 -21.757 -12.199 54 HE ARG 11 HE ARG 11 -12.853 -21.785 -9.553 55 HH11 ARG 11 1HH1 ARG 11 -13.881 -20.290 -12.525 56 HH12 ARG 11 2HH1 ARG 11 -15.551 -20.232 -12.071 57 HH21 ARG 11 1HH2 ARG 11 -15.050 -21.714 -8.944 58 HH22 ARG 11 2HH2 ARG 11 -16.215 -21.042 -10.033 59 H ARG 12 H ARG 12 -6.335 -20.476 -10.848 60 HA ARG 12 HA ARG 12 -6.690 -20.578 -7.939 61 HB2 ARG 12 1HB ARG 12 -4.139 -21.099 -9.454 62 HB3 ARG 12 2HB ARG 12 -4.132 -20.565 -7.778 63 HG2 ARG 12 1HG ARG 12 -5.343 -22.536 -7.099 64 HG3 ARG 12 2HG ARG 12 -5.498 -23.053 -8.780 65 HD2 ARG 12 1HD ARG 12 -2.917 -22.733 -7.252 66 HD3 ARG 12 2HD ARG 12 -3.708 -24.261 -7.635 67 HE ARG 12 HE ARG 12 -2.951 -24.089 -9.808 68 HH11 ARG 12 1HH1 ARG 12 -2.343 -21.126 -8.084 69 HH12 ARG 12 2HH1 ARG 12 -1.309 -20.472 -9.311 70 HH21 ARG 12 1HH2 ARG 12 -1.591 -23.239 -11.430 71 HH22 ARG 12 2HH2 ARG 12 -0.883 -21.674 -11.214 72 HA PRO 13 HA PRO 13 -6.311 -16.205 -8.234 73 HB2 PRO 13 1HB PRO 13 -5.560 -15.651 -5.685 74 HB3 PRO 13 2HB PRO 13 -7.204 -16.133 -6.118 75 HG2 PRO 13 1HG PRO 13 -4.982 -17.786 -4.982 76 HG3 PRO 13 2HG PRO 13 -6.701 -17.772 -4.547 77 HD2 PRO 13 1HD PRO 13 -5.619 -19.667 -6.151 78 HD3 PRO 13 2HD PRO 13 -7.293 -19.103 -6.334 79 H LEU 14 H LEU 14 -4.778 -14.505 -8.253 80 HA LEU 14 HA LEU 14 -2.058 -15.413 -8.671 81 HB2 LEU 14 1HB LEU 14 -3.598 -12.934 -9.245 82 HB3 LEU 14 2HB LEU 14 -1.843 -12.818 -9.131 83 HG LEU 14 HG LEU 14 -3.110 -14.832 -10.950 84 HD11 LEU 14 1HD1 LEU 14 -3.073 -11.895 -11.261 85 HD12 LEU 14 2HD1 LEU 14 -4.164 -13.099 -11.946 86 HD13 LEU 14 3HD1 LEU 14 -2.571 -12.846 -12.659 87 HD21 LEU 14 3HD2 LEU 14 -0.996 -15.220 -11.493 88 HD22 LEU 14 1HD2 LEU 14 -0.477 -14.039 -10.290 89 HD23 LEU 14 2HD2 LEU 14 -0.782 -13.529 -11.951 90 H TRP 15 H TRP 15 -3.720 -13.026 -6.624 91 HA TRP 15 HA TRP 15 -1.304 -12.823 -4.971 92 HB2 TRP 15 1HB TRP 15 -3.753 -11.110 -4.643 93 HB3 TRP 15 2HB TRP 15 -2.087 -10.750 -4.201 94 HD1 TRP 15 HD TRP 15 -4.233 -11.168 -7.401 95 HE1 TRP 15 1HE TRP 15 -3.244 -9.643 -9.223 96 HE3 TRP 15 3HE TRP 15 -0.143 -9.430 -4.874 97 HZ2 TRP 15 2HZ TRP 15 -1.024 -7.930 -9.547 98 HZ3 TRP 15 3HZ TRP 15 1.364 -7.852 -6.011 99 HH2 TRP 15 HH TRP 15 0.931 -7.119 -8.300 100 H GLU 16 H GLU 16 -1.968 -12.337 -2.545 101 HA GLU 16 HA GLU 16 -3.702 -14.569 -1.726 102 HB2 GLU 16 1HB GLU 16 -1.230 -13.367 -0.533 103 HB3 GLU 16 2HB GLU 16 -2.376 -14.208 0.501 104 HG2 GLU 16 1HG GLU 16 -1.961 -16.252 -0.463 105 HG3 GLU 16 2HG GLU 16 -1.388 -15.543 -1.972 106 HA PRO 17 HA PRO 17 -6.521 -11.851 0.255 107 HB2 PRO 17 1HB PRO 17 -7.290 -13.347 2.386 108 HB3 PRO 17 2HB PRO 17 -7.791 -13.706 0.730 109 HG2 PRO 17 1HG PRO 17 -5.607 -14.946 2.359 110 HG3 PRO 17 2HG PRO 17 -6.794 -15.728 1.299 111 HD2 PRO 17 1HD PRO 17 -4.244 -15.248 0.526 112 HD3 PRO 17 2HD PRO 17 -5.607 -15.225 -0.611 113 H GLU 18 H GLU 18 -3.833 -13.128 2.087 114 HA GLU 18 HA GLU 18 -4.168 -11.585 4.429 115 HB2 GLU 18 1HB GLU 18 -1.672 -12.770 3.204 116 HB3 GLU 18 2HB GLU 18 -1.754 -12.071 4.815 117 HG2 GLU 18 1HG GLU 18 -3.509 -14.349 3.959 118 HG3 GLU 18 2HG GLU 18 -1.904 -14.591 4.647 119 H GLU 19 H GLU 19 -2.391 -11.012 1.424 120 HA GLU 19 HA GLU 19 -1.418 -8.448 2.331 121 HB2 GLU 19 1HB GLU 19 -1.160 -10.045 -0.191 122 HB3 GLU 19 2HB GLU 19 -0.748 -8.336 -0.198 123 HG2 GLU 19 1HG GLU 19 1.192 -9.814 0.157 124 HG3 GLU 19 2HG GLU 19 0.934 -8.669 1.473 125 H THR 20 H THR 20 -2.208 -6.470 1.837 126 HA THR 20 HA THR 20 -4.916 -6.291 0.926 127 HB THR 20 HB THR 20 -2.932 -4.087 1.524 128 HG1 THR 20 1HG THR 20 -5.093 -4.899 3.162 129 HG21 THR 20 3HG2 THR 20 -4.636 -3.146 0.173 130 HG22 THR 20 1HG2 THR 20 -5.062 -2.745 1.836 131 HG23 THR 20 2HG2 THR 20 -5.898 -4.055 1.003 132 H VAL 21 H VAL 21 -5.279 -6.663 -1.184 133 HA VAL 21 HA VAL 21 -3.498 -5.460 -3.177 134 HB VAL 21 HB VAL 21 -5.694 -7.508 -3.511 135 HG11 VAL 21 1HG1 VAL 21 -3.761 -7.177 -5.675 136 HG12 VAL 21 2HG1 VAL 21 -5.517 -7.340 -5.736 137 HG13 VAL 21 3HG1 VAL 21 -4.787 -5.766 -5.421 138 HG21 VAL 21 3HG2 VAL 21 -3.873 -8.534 -2.403 139 HG22 VAL 21 1HG2 VAL 21 -3.721 -8.978 -4.103 140 HG23 VAL 21 2HG2 VAL 21 -2.693 -7.715 -3.425 141 H VAL 22 H VAL 22 -4.053 -3.652 -4.187 142 HA VAL 22 HA VAL 22 -6.878 -2.819 -4.128 143 HB VAL 22 HB VAL 22 -5.749 -0.515 -4.706 144 HG11 VAL 22 1HG1 VAL 22 -5.658 -1.701 -1.933 145 HG12 VAL 22 2HG1 VAL 22 -5.682 0.019 -2.327 146 HG13 VAL 22 3HG1 VAL 22 -7.076 -0.994 -2.706 147 HG21 VAL 22 3HG2 VAL 22 -3.530 -1.819 -3.143 148 HG22 VAL 22 1HG2 VAL 22 -3.486 -1.605 -4.893 149 HG23 VAL 22 2HG2 VAL 22 -3.562 -0.197 -3.834 150 H ILE 23 H ILE 23 -7.303 -1.158 -5.995 151 HA ILE 23 HA ILE 23 -6.019 -1.984 -8.485 152 HB ILE 23 HB ILE 23 -9.021 -2.022 -8.185 153 HG12 ILE 23 1HG1 ILE 23 -7.219 -4.416 -8.544 154 HG13 ILE 23 2HG1 ILE 23 -7.764 -3.870 -6.962 155 HG21 ILE 23 1HG2 ILE 23 -7.334 -1.836 -10.436 156 HG22 ILE 23 2HG2 ILE 23 -8.011 -3.464 -10.432 157 HG23 ILE 23 3HG2 ILE 23 -9.083 -2.064 -10.402 158 HD11 ILE 23 3HD1 ILE 23 -10.075 -4.038 -8.500 159 HD12 ILE 23 1HD1 ILE 23 -9.129 -5.464 -8.925 160 HD13 ILE 23 2HD1 ILE 23 -9.544 -5.151 -7.240 161 H ALA 24 H ALA 24 -6.026 -0.437 -10.075 162 HA ALA 24 HA ALA 24 -6.765 2.239 -9.225 163 HB1 ALA 24 3HB ALA 24 -4.900 2.729 -10.323 164 HB2 ALA 24 1HB ALA 24 -4.809 1.097 -10.987 165 HB3 ALA 24 2HB ALA 24 -5.733 2.342 -11.829 166 H LEU 25 H LEU 25 -8.458 3.377 -9.949 167 HA LEU 25 HA LEU 25 -10.433 2.075 -11.573 168 HB2 LEU 25 1HB LEU 25 -10.384 4.929 -10.609 169 HB3 LEU 25 2HB LEU 25 -11.786 4.027 -11.181 170 HG LEU 25 HG LEU 25 -10.290 3.087 -8.767 171 HD11 LEU 25 1HD1 LEU 25 -11.532 4.484 -7.321 172 HD12 LEU 25 2HD1 LEU 25 -12.523 5.097 -8.644 173 HD13 LEU 25 3HD1 LEU 25 -10.821 5.543 -8.540 174 HD21 LEU 25 3HD2 LEU 25 -11.872 1.521 -9.277 175 HD22 LEU 25 1HD2 LEU 25 -12.965 2.699 -10.005 176 HD23 LEU 25 2HD2 LEU 25 -12.830 2.589 -8.250 177 H TYR 26 H TYR 26 -8.063 4.624 -12.018 178 HA TYR 26 HA TYR 26 -8.676 4.600 -14.893 179 HB2 TYR 26 1HB TYR 26 -7.770 7.133 -13.575 180 HB3 TYR 26 2HB TYR 26 -8.654 6.916 -15.082 181 HD1 TYR 26 1HD TYR 26 -11.075 6.516 -15.056 182 HD2 TYR 26 2HD TYR 26 -8.918 7.241 -11.461 183 HE1 TYR 26 1HE TYR 26 -13.190 6.966 -13.885 184 HE2 TYR 26 2HE TYR 26 -11.027 7.693 -10.280 185 HH TYR 26 HH TYR 26 -14.154 7.475 -11.954 186 H ASP 27 H ASP 27 -6.862 5.427 -16.226 187 HA ASP 27 HA ASP 27 -4.382 4.268 -15.302 188 HB2 ASP 27 1HB ASP 27 -4.871 3.755 -17.547 189 HB3 ASP 27 2HB ASP 27 -5.313 5.418 -17.922 190 H TYR 28 H TYR 28 -3.277 5.491 -13.889 191 HA TYR 28 HA TYR 28 -3.159 8.365 -14.150 192 HB2 TYR 28 1HB TYR 28 -3.277 7.346 -11.926 193 HB3 TYR 28 2HB TYR 28 -1.763 6.498 -12.221 194 HD1 TYR 28 2HD TYR 28 -2.665 10.035 -12.963 195 HD2 TYR 28 1HD TYR 28 -0.278 7.377 -10.653 196 HE1 TYR 28 2HE TYR 28 -1.420 11.952 -12.055 197 HE2 TYR 28 1HE TYR 28 0.973 9.286 -9.737 198 HH TYR 28 HH TYR 28 0.562 11.750 -9.372 199 H GLN 29 H GLN 29 -1.336 9.594 -14.605 200 HA GLN 29 HA GLN 29 1.063 8.188 -15.517 201 HB2 GLN 29 1HB GLN 29 1.136 9.293 -17.618 202 HB3 GLN 29 2HB GLN 29 -0.483 8.624 -17.467 203 HG2 GLN 29 1HG GLN 29 -1.271 10.861 -16.725 204 HG3 GLN 29 2HG GLN 29 0.338 11.490 -17.075 205 HE21 GLN 29 1HE2 GLN 29 -0.288 12.863 -18.686 206 HE22 GLN 29 2HE2 GLN 29 -0.887 12.326 -20.214 207 H THR 30 H THR 30 2.814 9.090 -14.673 208 HA THR 30 HA THR 30 2.775 11.969 -14.064 209 HB THR 30 HB THR 30 2.484 10.917 -11.939 210 HG1 THR 30 1HG THR 30 4.227 11.791 -10.934 211 HG21 THR 30 3HG2 THR 30 3.754 8.746 -13.052 212 HG22 THR 30 1HG2 THR 30 3.312 8.916 -11.354 213 HG23 THR 30 2HG2 THR 30 4.939 9.338 -11.888 214 H ASN 31 H ASN 31 4.742 13.057 -14.250 215 HA ASN 31 HA ASN 31 6.670 11.739 -15.985 216 HB2 ASN 31 1HB ASN 31 6.655 14.621 -15.074 217 HB3 ASN 31 2HB ASN 31 7.531 13.938 -16.441 218 HD21 ASN 31 1HD2 ASN 31 5.280 15.997 -15.981 219 HD22 ASN 31 2HD2 ASN 31 4.133 15.597 -17.210 220 H ASP 32 H ASP 32 6.372 12.862 -12.719 221 HA ASP 32 HA ASP 32 9.093 13.092 -12.049 222 HB2 ASP 32 1HB ASP 32 6.873 13.687 -10.726 223 HB3 ASP 32 2HB ASP 32 7.138 12.092 -10.026 224 HA PRO 33 HA PRO 33 10.464 8.907 -12.070 225 HB2 PRO 33 1HB PRO 33 12.613 9.170 -10.433 226 HB3 PRO 33 2HB PRO 33 12.594 9.768 -12.096 227 HG2 PRO 33 1HG PRO 33 12.161 11.264 -9.539 228 HG3 PRO 33 2HG PRO 33 13.107 11.734 -10.964 229 HD2 PRO 33 1HD PRO 33 10.617 12.686 -10.490 230 HD3 PRO 33 2HD PRO 33 11.242 12.423 -12.131 231 H GLN 34 H GLN 34 10.111 10.575 -8.964 232 HA GLN 34 HA GLN 34 10.138 8.223 -7.374 233 HB2 GLN 34 1HB GLN 34 9.400 11.082 -6.938 234 HB3 GLN 34 2HB GLN 34 8.868 9.893 -5.756 235 HG2 GLN 34 1HG GLN 34 11.195 9.183 -5.444 236 HG3 GLN 34 2HG GLN 34 11.711 10.414 -6.596 237 HE21 GLN 34 1HE2 GLN 34 9.819 10.071 -3.618 238 HE22 GLN 34 2HE2 GLN 34 10.363 11.545 -2.899 239 H GLU 35 H GLU 35 7.570 10.136 -8.859 240 HA GLU 35 HA GLU 35 5.445 8.639 -7.665 241 HB2 GLU 35 1HB GLU 35 5.505 10.556 -9.998 242 HB3 GLU 35 2HB GLU 35 4.032 9.826 -9.375 243 HG2 GLU 35 1HG GLU 35 4.291 10.925 -7.273 244 HG3 GLU 35 2HG GLU 35 5.895 11.506 -7.718 245 H LEU 36 H LEU 36 4.090 7.112 -8.628 246 HA LEU 36 HA LEU 36 5.276 5.726 -10.938 247 HB2 LEU 36 1HB LEU 36 5.281 4.394 -8.915 248 HB3 LEU 36 2HB LEU 36 3.552 4.667 -8.703 249 HG LEU 36 HG LEU 36 3.470 3.493 -11.089 250 HD11 LEU 36 1HD1 LEU 36 5.527 2.834 -11.693 251 HD12 LEU 36 2HD1 LEU 36 5.249 1.514 -10.557 252 HD13 LEU 36 3HD1 LEU 36 6.155 2.939 -10.048 253 HD21 LEU 36 3HD2 LEU 36 2.359 1.962 -9.922 254 HD22 LEU 36 1HD2 LEU 36 2.897 2.790 -8.461 255 HD23 LEU 36 2HD2 LEU 36 3.825 1.431 -9.097 256 H ALA 37 H ALA 37 4.012 5.143 -12.664 257 HA ALA 37 HA ALA 37 1.428 6.499 -12.844 258 HB1 ALA 37 3HB ALA 37 3.458 5.583 -14.801 259 HB2 ALA 37 1HB ALA 37 1.774 5.612 -15.325 260 HB3 ALA 37 2HB ALA 37 2.540 7.088 -14.737 261 H LEU 38 H LEU 38 -0.209 5.294 -12.102 262 HA LEU 38 HA LEU 38 -0.252 2.461 -12.118 263 HB2 LEU 38 1HB LEU 38 -2.480 4.461 -11.771 264 HB3 LEU 38 2HB LEU 38 -2.635 2.728 -11.486 265 HG LEU 38 HG LEU 38 -0.606 4.339 -9.982 266 HD11 LEU 38 1HD1 LEU 38 -3.562 4.219 -9.524 267 HD12 LEU 38 2HD1 LEU 38 -2.479 5.610 -9.465 268 HD13 LEU 38 3HD1 LEU 38 -2.440 4.407 -8.175 269 HD21 LEU 38 3HD2 LEU 38 -2.148 1.811 -9.414 270 HD22 LEU 38 1HD2 LEU 38 -1.036 2.589 -8.288 271 HD23 LEU 38 2HD2 LEU 38 -0.435 1.941 -9.815 272 H ARG 39 H ARG 39 -2.542 1.519 -13.023 273 HA ARG 39 HA ARG 39 -2.936 2.410 -15.777 274 HB2 ARG 39 1HB ARG 39 -1.200 0.751 -16.011 275 HB3 ARG 39 2HB ARG 39 -2.087 -0.383 -15.000 276 HG2 ARG 39 1HG ARG 39 -2.509 -1.179 -17.117 277 HG3 ARG 39 2HG ARG 39 -3.927 -0.173 -16.813 278 HD2 ARG 39 1HD ARG 39 -3.159 1.535 -18.207 279 HD3 ARG 39 2HD ARG 39 -1.499 0.942 -18.172 280 HE ARG 39 HE ARG 39 -3.611 0.085 -19.923 281 HH11 ARG 39 1HH1 ARG 39 -0.591 -0.798 -18.433 282 HH12 ARG 39 2HH1 ARG 39 -0.183 -1.964 -19.647 283 HH21 ARG 39 1HH2 ARG 39 -3.085 -1.448 -21.528 284 HH22 ARG 39 2HH2 ARG 39 -1.602 -2.333 -21.408 285 H ARG 40 H ARG 40 -4.944 1.915 -16.627 286 HA ARG 40 HA ARG 40 -7.059 1.581 -14.806 287 HB2 ARG 40 1HB ARG 40 -7.290 2.750 -16.962 288 HB3 ARG 40 2HB ARG 40 -7.077 1.223 -17.808 289 HG2 ARG 40 1HG ARG 40 -9.141 0.386 -17.009 290 HG3 ARG 40 2HG ARG 40 -9.305 1.709 -15.853 291 HD2 ARG 40 1HD ARG 40 -9.759 3.274 -17.542 292 HD3 ARG 40 2HD ARG 40 -9.158 2.205 -18.809 293 HE ARG 40 HE ARG 40 -11.243 0.820 -17.833 294 HH11 ARG 40 1HH1 ARG 40 -10.902 4.129 -18.862 295 HH12 ARG 40 2HH1 ARG 40 -12.549 4.273 -19.383 296 HH21 ARG 40 1HH2 ARG 40 -13.412 0.998 -18.515 297 HH22 ARG 40 2HH2 ARG 40 -13.975 2.492 -19.184 298 H ASN 41 H ASN 41 -8.026 -0.169 -13.998 299 HA ASN 41 HA ASN 41 -8.558 -2.339 -13.572 300 HB2 ASN 41 1HB ASN 41 -8.014 -2.586 -16.535 301 HB3 ASN 41 2HB ASN 41 -8.657 -3.898 -15.551 302 HD21 ASN 41 1HD2 ASN 41 -9.506 -1.578 -17.642 303 HD22 ASN 41 2HD2 ASN 41 -11.134 -1.288 -17.141 304 H GLU 42 H GLU 42 -6.164 -1.749 -12.647 305 HA GLU 42 HA GLU 42 -4.619 -4.185 -13.158 306 HB2 GLU 42 1HB GLU 42 -3.648 -1.369 -13.403 307 HB3 GLU 42 2HB GLU 42 -2.547 -2.596 -12.793 308 HG2 GLU 42 1HG GLU 42 -3.855 -2.432 -15.482 309 HG3 GLU 42 2HG GLU 42 -2.137 -2.480 -15.091 310 H GLU 43 H GLU 43 -4.256 -5.217 -11.317 311 HA GLU 43 HA GLU 43 -4.856 -4.018 -8.793 312 HB2 GLU 43 1HB GLU 43 -3.483 -6.664 -9.271 313 HB3 GLU 43 2HB GLU 43 -4.378 -6.168 -7.841 314 HG2 GLU 43 1HG GLU 43 -5.953 -7.457 -8.837 315 HG3 GLU 43 2HG GLU 43 -6.338 -5.908 -9.586 316 H TYR 44 H TYR 44 -3.364 -4.018 -6.948 317 HA TYR 44 HA TYR 44 -0.528 -3.945 -7.528 318 HB2 TYR 44 1HB TYR 44 -2.086 -1.470 -6.790 319 HB3 TYR 44 2HB TYR 44 -0.352 -1.608 -6.520 320 HD1 TYR 44 1HD TYR 44 -2.982 -1.510 -9.109 321 HD2 TYR 44 2HD TYR 44 1.196 -1.389 -8.319 322 HE1 TYR 44 1HE TYR 44 -2.572 -0.784 -11.423 323 HE2 TYR 44 2HE TYR 44 1.619 -0.662 -10.630 324 HH TYR 44 HH TYR 44 0.652 0.129 -12.517 325 H CYS 45 H CYS 45 0.636 -4.554 -5.805 326 HA CYS 45 HA CYS 45 -0.748 -5.267 -3.385 327 HB2 CYS 45 1HB CYS 45 0.929 -6.787 -4.198 328 HB3 CYS 45 2HB CYS 45 2.143 -5.514 -4.227 329 HG CYS 45 HG CYS 45 1.742 -5.248 -1.284 330 H LEU 46 H LEU 46 -1.257 -3.680 -2.012 331 HA LEU 46 HA LEU 46 0.080 -1.231 -1.757 332 HB2 LEU 46 1HB LEU 46 -2.250 -1.714 -1.031 333 HB3 LEU 46 2HB LEU 46 -1.592 -2.614 0.334 334 HG LEU 46 HG LEU 46 -0.468 -0.458 1.043 335 HD11 LEU 46 1HD1 LEU 46 -2.282 1.353 -0.097 336 HD12 LEU 46 2HD1 LEU 46 -1.627 0.405 -1.431 337 HD13 LEU 46 3HD1 LEU 46 -0.538 1.268 -0.345 338 HD21 LEU 46 3HD2 LEU 46 -2.298 -1.138 2.325 339 HD22 LEU 46 1HD2 LEU 46 -3.443 -0.846 1.016 340 HD23 LEU 46 2HD2 LEU 46 -2.697 0.515 1.854 341 H LEU 47 H LEU 47 1.905 -0.675 -0.770 342 HA LEU 47 HA LEU 47 3.279 -2.660 0.871 343 HB2 LEU 47 1HB LEU 47 4.179 -0.068 -0.370 344 HB3 LEU 47 2HB LEU 47 5.197 -1.050 0.683 345 HG LEU 47 HG LEU 47 4.109 -1.845 -2.017 346 HD11 LEU 47 1HD1 LEU 47 5.914 -0.788 -2.769 347 HD12 LEU 47 2HD1 LEU 47 6.875 -2.039 -1.980 348 HD13 LEU 47 3HD1 LEU 47 6.530 -0.529 -1.137 349 HD21 LEU 47 3HD2 LEU 47 5.847 -3.758 -1.525 350 HD22 LEU 47 1HD2 LEU 47 4.178 -3.878 -0.966 351 HD23 LEU 47 2HD2 LEU 47 5.449 -3.383 0.153 352 H ASP 48 H ASP 48 2.877 0.883 1.042 353 HA ASP 48 HA ASP 48 2.174 0.642 3.866 354 HB2 ASP 48 1HB ASP 48 4.642 0.940 3.770 355 HB3 ASP 48 2HB ASP 48 4.397 2.457 2.908 356 H SER 49 H SER 49 0.950 2.347 4.666 357 HA SER 49 HA SER 49 0.040 4.282 2.637 358 HB2 SER 49 1HB SER 49 -2.156 4.205 3.578 359 HB3 SER 49 2HB SER 49 -1.636 2.532 3.379 360 HG SER 49 HG SER 49 -2.263 2.470 5.411 361 H SER 50 H SER 50 2.249 4.933 4.099 362 HA SER 50 HA SER 50 2.062 6.125 6.537 363 HB2 SER 50 1HB SER 50 3.682 7.904 5.473 364 HB3 SER 50 2HB SER 50 4.195 6.225 5.632 365 HG SER 50 HG SER 50 3.425 7.648 3.341 366 H GLU 51 H GLU 51 0.841 7.357 3.482 367 HA GLU 51 HA GLU 51 -0.385 9.603 4.945 368 HB2 GLU 51 1HB GLU 51 0.609 9.461 2.100 369 HB3 GLU 51 2HB GLU 51 -0.438 10.746 2.683 370 HG2 GLU 51 1HG GLU 51 1.271 11.303 4.385 371 HG3 GLU 51 2HG GLU 51 2.330 10.092 3.665 372 H ILE 52 H ILE 52 -2.335 10.476 3.547 373 HA ILE 52 HA ILE 52 -4.109 8.178 3.179 374 HB ILE 52 HB ILE 52 -4.779 11.113 3.432 375 HG12 ILE 52 1HG1 ILE 52 -5.153 8.869 5.426 376 HG13 ILE 52 2HG1 ILE 52 -3.843 10.042 5.487 377 HG21 ILE 52 1HG2 ILE 52 -7.070 9.827 3.996 378 HG22 ILE 52 2HG2 ILE 52 -6.651 10.409 2.386 379 HG23 ILE 52 3HG2 ILE 52 -6.383 8.718 2.808 380 HD11 ILE 52 3HD1 ILE 52 -5.214 11.151 6.856 381 HD12 ILE 52 1HD1 ILE 52 -6.002 11.673 5.367 382 HD13 ILE 52 2HD1 ILE 52 -6.647 10.304 6.273 383 H HIS 53 H HIS 53 -3.382 11.279 1.577 384 HA HIS 53 HA HIS 53 -4.792 10.609 -0.804 385 HB2 HIS 53 1HB HIS 53 -2.598 12.663 -0.661 386 HB3 HIS 53 2HB HIS 53 -4.051 12.673 -1.657 387 HD1 HIS 53 1HD HIS 53 -6.324 13.206 -0.383 388 HD2 HIS 53 2HD HIS 53 -2.845 13.885 1.784 389 HE1 HIS 53 1HE HIS 53 -7.012 14.651 1.557 390 HE2 HIS 53 2HE HIS 53 -4.875 15.119 2.806 391 H TRP 54 H TRP 54 -1.402 10.467 0.173 392 HA TRP 54 HA TRP 54 -0.755 9.168 -2.385 393 HB2 TRP 54 1HB TRP 54 1.114 10.373 -0.331 394 HB3 TRP 54 2HB TRP 54 1.586 9.693 -1.886 395 HD1 TRP 54 HD TRP 54 0.765 12.908 -0.313 396 HE1 TRP 54 1HE TRP 54 0.373 14.727 -2.092 397 HE3 TRP 54 3HE TRP 54 0.364 9.928 -4.447 398 HZ2 TRP 54 2HZ TRP 54 -0.051 14.878 -4.878 399 HZ3 TRP 54 3HZ TRP 54 -0.036 10.988 -6.632 400 HH2 TRP 54 HH TRP 54 -0.239 13.412 -6.840 401 H TRP 55 H TRP 55 -0.648 7.031 -2.360 402 HA TRP 55 HA TRP 55 0.142 5.691 0.143 403 HB2 TRP 55 1HB TRP 55 -1.916 5.001 -1.919 404 HB3 TRP 55 2HB TRP 55 -1.135 3.705 -1.017 405 HD1 TRP 55 HD TRP 55 -1.337 6.478 1.314 406 HE1 TRP 55 1HE TRP 55 -3.394 6.276 2.848 407 HE3 TRP 55 3HE TRP 55 -3.939 2.925 -1.282 408 HZ2 TRP 55 2HZ TRP 55 -5.802 4.805 2.944 409 HZ3 TRP 55 3HZ TRP 55 -6.111 2.175 -0.401 410 HH2 TRP 55 HH TRP 55 -7.021 3.096 1.668 411 H ARG 56 H ARG 56 1.779 4.246 0.088 412 HA ARG 56 HA ARG 56 3.296 4.058 -2.387 413 HB2 ARG 56 1HB ARG 56 4.308 4.584 -0.099 414 HB3 ARG 56 2HB ARG 56 4.059 2.885 0.281 415 HG2 ARG 56 1HG ARG 56 5.427 2.343 -1.761 416 HG3 ARG 56 2HG ARG 56 5.831 4.059 -1.841 417 HD2 ARG 56 1HD ARG 56 6.701 3.901 0.482 418 HD3 ARG 56 2HD ARG 56 6.413 2.163 0.429 419 HE ARG 56 HE ARG 56 7.998 2.889 -1.768 420 HH11 ARG 56 1HH1 ARG 56 8.180 2.649 1.700 421 HH12 ARG 56 2HH1 ARG 56 9.885 2.342 1.720 422 HH21 ARG 56 1HH2 ARG 56 10.243 2.485 -1.755 423 HH22 ARG 56 2HH2 ARG 56 11.058 2.250 -0.246 424 H VAL 57 H VAL 57 2.857 2.465 -3.752 425 HA VAL 57 HA VAL 57 2.281 -0.207 -2.652 426 HB VAL 57 HB VAL 57 0.610 -0.642 -4.244 427 HG11 VAL 57 1HG1 VAL 57 -0.991 0.626 -3.333 428 HG12 VAL 57 2HG1 VAL 57 0.316 1.411 -2.445 429 HG13 VAL 57 3HG1 VAL 57 -0.281 2.119 -3.946 430 HG21 VAL 57 3HG2 VAL 57 1.947 1.482 -5.753 431 HG22 VAL 57 1HG2 VAL 57 1.082 0.054 -6.323 432 HG23 VAL 57 2HG2 VAL 57 0.188 1.506 -5.874 433 H GLN 58 H GLN 58 2.419 -1.858 -4.603 434 HA GLN 58 HA GLN 58 4.727 -1.203 -6.290 435 HB2 GLN 58 1HB GLN 58 5.607 -2.368 -4.331 436 HB3 GLN 58 2HB GLN 58 4.469 -3.684 -4.583 437 HG2 GLN 58 1HG GLN 58 5.571 -4.416 -6.516 438 HG3 GLN 58 2HG GLN 58 6.485 -2.916 -6.663 439 HE21 GLN 58 1HE2 GLN 58 7.964 -2.453 -4.800 440 HE22 GLN 58 2HE2 GLN 58 8.844 -3.787 -4.145 441 H ASP 59 H ASP 59 4.757 -2.180 -8.280 442 HA ASP 59 HA ASP 59 2.251 -3.331 -9.155 443 HB2 ASP 59 1HB ASP 59 3.357 -1.657 -10.555 444 HB3 ASP 59 2HB ASP 59 4.778 -2.689 -10.690 445 H ARG 60 H ARG 60 2.223 -5.281 -10.534 446 HA ARG 60 HA ARG 60 3.285 -7.500 -9.195 447 HB2 ARG 60 1HB ARG 60 2.258 -8.822 -10.831 448 HB3 ARG 60 2HB ARG 60 1.269 -7.369 -10.786 449 HG2 ARG 60 1HG ARG 60 2.260 -6.542 -12.791 450 HG3 ARG 60 2HG ARG 60 3.470 -7.827 -12.784 451 HD2 ARG 60 1HD ARG 60 1.950 -8.629 -14.319 452 HD3 ARG 60 2HD ARG 60 1.397 -9.402 -12.834 453 HE ARG 60 HE ARG 60 0.008 -7.028 -13.019 454 HH11 ARG 60 1HH1 ARG 60 0.364 -9.917 -14.928 455 HH12 ARG 60 2HH1 ARG 60 -1.229 -9.824 -15.603 456 HH21 ARG 60 1HH2 ARG 60 -2.092 -6.895 -13.900 457 HH22 ARG 60 2HH2 ARG 60 -2.625 -8.104 -15.018 458 H ASN 61 H ASN 61 4.540 -5.557 -11.795 459 HA ASN 61 HA ASN 61 6.558 -7.435 -12.595 460 HB2 ASN 61 1HB ASN 61 5.843 -4.626 -13.294 461 HB3 ASN 61 2HB ASN 61 7.483 -5.166 -13.641 462 HD21 ASN 61 1HD2 ASN 61 4.863 -4.578 -15.195 463 HD22 ASN 61 2HD2 ASN 61 4.787 -5.889 -16.318 464 H GLY 62 H GLY 62 6.404 -4.609 -10.486 465 HA2 GLY 62 1HA GLY 62 7.936 -4.920 -8.491 466 HA3 GLY 62 2HA GLY 62 9.201 -5.129 -9.694 467 H HIS 63 H HIS 63 6.600 -2.819 -10.060 468 HA HIS 63 HA HIS 63 8.564 -0.652 -9.694 469 HB2 HIS 63 1HB HIS 63 6.099 -0.296 -11.353 470 HB3 HIS 63 2HB HIS 63 7.656 0.516 -11.480 471 HD1 HIS 63 1HD HIS 63 6.185 -0.841 -13.897 472 HD2 HIS 63 2HD HIS 63 9.236 -2.557 -11.659 473 HE1 HIS 63 1HE HIS 63 7.219 -2.580 -15.391 474 HE2 HIS 63 2HE HIS 63 9.007 -3.663 -13.986 475 H GLU 64 H GLU 64 8.204 0.609 -8.002 476 HA GLU 64 HA GLU 64 5.432 0.924 -7.049 477 HB2 GLU 64 1HB GLU 64 6.539 1.337 -4.780 478 HB3 GLU 64 2HB GLU 64 6.503 -0.319 -5.367 479 HG2 GLU 64 1HG GLU 64 8.652 0.110 -4.427 480 HG3 GLU 64 2HG GLU 64 8.826 -0.033 -6.175 481 H GLY 65 H GLY 65 5.432 2.938 -5.431 482 HA2 GLY 65 1HA GLY 65 7.014 5.129 -5.618 483 HA3 GLY 65 2HA GLY 65 6.085 5.197 -7.109 484 H TYR 66 H TYR 66 5.512 7.304 -5.970 485 HA TYR 66 HA TYR 66 3.459 6.977 -3.919 486 HB2 TYR 66 1HB TYR 66 4.847 9.401 -5.061 487 HB3 TYR 66 2HB TYR 66 3.497 9.516 -3.938 488 HD1 TYR 66 1HD TYR 66 3.981 7.545 -1.933 489 HD2 TYR 66 2HD TYR 66 6.807 9.972 -3.989 490 HE1 TYR 66 1HE TYR 66 5.534 7.330 -0.038 491 HE2 TYR 66 2HE TYR 66 8.369 9.763 -2.101 492 HH TYR 66 HH TYR 66 7.419 8.336 0.920 493 H VAL 67 H VAL 67 1.544 6.398 -4.742 494 HA VAL 67 HA VAL 67 0.533 7.892 -7.075 495 HB VAL 67 HB VAL 67 -1.054 5.893 -7.310 496 HG11 VAL 67 1HG1 VAL 67 1.853 5.952 -7.957 497 HG12 VAL 67 2HG1 VAL 67 0.925 4.499 -8.332 498 HG13 VAL 67 3HG1 VAL 67 0.457 6.050 -9.029 499 HG21 VAL 67 3HG2 VAL 67 -0.783 4.026 -6.086 500 HG22 VAL 67 1HG2 VAL 67 0.976 4.154 -6.100 501 HG23 VAL 67 2HG2 VAL 67 0.032 5.100 -4.949 502 HA PRO 68 HA PRO 68 -2.749 9.478 -4.626 503 HB2 PRO 68 1HB PRO 68 -4.723 9.667 -6.480 504 HB3 PRO 68 2HB PRO 68 -3.327 10.750 -6.450 505 HG2 PRO 68 1HG PRO 68 -3.811 8.332 -8.147 506 HG3 PRO 68 2HG PRO 68 -3.138 9.906 -8.609 507 HD2 PRO 68 1HD PRO 68 -1.586 7.736 -8.148 508 HD3 PRO 68 2HD PRO 68 -1.044 9.390 -7.797 509 H SER 69 H SER 69 -3.486 8.074 -3.118 510 HA SER 69 HA SER 69 -4.457 5.544 -3.383 511 HB2 SER 69 1HB SER 69 -4.232 6.157 -1.171 512 HB3 SER 69 2HB SER 69 -4.997 7.727 -1.417 513 HG SER 69 HG SER 69 -6.991 6.715 -1.485 514 H SER 70 H SER 70 -6.113 8.528 -4.103 515 HA SER 70 HA SER 70 -8.755 7.824 -4.115 516 HB2 SER 70 1HB SER 70 -7.130 9.633 -5.861 517 HB3 SER 70 2HB SER 70 -8.816 9.331 -6.281 518 HG SER 70 HG SER 70 -7.738 10.605 -4.024 519 H TYR 71 H TYR 71 -6.456 7.319 -6.788 520 HA TYR 71 HA TYR 71 -8.265 5.986 -8.484 521 HB2 TYR 71 1HB TYR 71 -5.261 6.068 -8.328 522 HB3 TYR 71 2HB TYR 71 -6.086 5.066 -9.517 523 HD1 TYR 71 1HD TYR 71 -6.908 8.487 -8.282 524 HD2 TYR 71 2HD TYR 71 -5.704 6.076 -11.574 525 HE1 TYR 71 1HE TYR 71 -7.111 10.433 -9.773 526 HE2 TYR 71 2HE TYR 71 -5.902 8.015 -13.074 527 HH TYR 71 HH TYR 71 -5.900 11.029 -12.196 528 H LEU 72 H LEU 72 -6.031 4.818 -6.015 529 HA LEU 72 HA LEU 72 -6.398 2.056 -6.556 530 HB2 LEU 72 1HB LEU 72 -5.562 3.368 -3.974 531 HB3 LEU 72 2HB LEU 72 -5.320 1.680 -4.418 532 HG LEU 72 HG LEU 72 -4.033 4.027 -5.811 533 HD11 LEU 72 1HD1 LEU 72 -2.988 4.018 -3.749 534 HD12 LEU 72 2HD1 LEU 72 -1.962 2.941 -4.696 535 HD13 LEU 72 3HD1 LEU 72 -3.136 2.270 -3.564 536 HD21 LEU 72 3HD2 LEU 72 -2.525 1.939 -6.466 537 HD22 LEU 72 1HD2 LEU 72 -3.935 2.416 -7.411 538 HD23 LEU 72 2HD2 LEU 72 -4.059 1.094 -6.249 539 H VAL 73 H VAL 73 -7.756 0.560 -5.653 540 HA VAL 73 HA VAL 73 -9.780 1.522 -3.752 541 HB VAL 73 HB VAL 73 -11.587 0.569 -4.943 542 HG11 VAL 73 1HG1 VAL 73 -11.661 2.377 -6.227 543 HG12 VAL 73 2HG1 VAL 73 -9.903 2.519 -6.168 544 HG13 VAL 73 3HG1 VAL 73 -10.668 1.548 -7.426 545 HG21 VAL 73 3HG2 VAL 73 -9.515 -0.654 -6.759 546 HG22 VAL 73 1HG2 VAL 73 -10.622 -1.495 -5.674 547 HG23 VAL 73 2HG2 VAL 73 -11.246 -0.656 -7.094 548 H GLU 74 H GLU 74 -10.475 0.038 -2.259 549 HA GLU 74 HA GLU 74 -8.782 -2.215 -1.797 550 HB2 GLU 74 1HB GLU 74 -10.039 -0.687 -0.093 551 HB3 GLU 74 2HB GLU 74 -11.381 -1.789 -0.364 552 HG2 GLU 74 1HG GLU 74 -9.533 -3.605 0.130 553 HG3 GLU 74 2HG GLU 74 -8.780 -2.258 0.983 554 H LYS 75 H LYS 75 -8.946 -3.990 -2.999 555 HA LYS 75 HA LYS 75 -11.023 -4.816 -4.584 556 HB2 LYS 75 1HB LYS 75 -8.842 -5.851 -4.721 557 HB3 LYS 75 2HB LYS 75 -9.007 -6.508 -3.098 558 HG2 LYS 75 1HG LYS 75 -10.408 -8.180 -3.765 559 HG3 LYS 75 2HG LYS 75 -11.044 -7.255 -5.127 560 HD2 LYS 75 1HD LYS 75 -8.715 -7.496 -6.150 561 HD3 LYS 75 2HD LYS 75 -8.431 -8.726 -4.917 562 HE2 LYS 75 1HE LYS 75 -9.164 -9.783 -6.959 563 HE3 LYS 75 2HE LYS 75 -10.416 -9.949 -5.729 564 HZ1 LYS 75 3HZ LYS 75 -10.577 -7.655 -7.534 565 HZ2 LYS 75 1HZ LYS 75 -11.817 -8.566 -6.832 566 HZ3 LYS 75 2HZ LYS 75 -10.970 -9.174 -8.164 567 H SER 76 H SER 76 -13.067 -5.240 -4.108 568 HA SER 76 HA SER 76 -13.956 -5.822 -1.467 569 HB2 SER 76 1HB SER 76 -15.235 -5.532 -4.143 570 HB3 SER 76 2HB SER 76 -16.137 -6.396 -2.897 571 HG SER 76 HG SER 76 -15.545 -4.453 -1.557 572 HA PRO 77 HA PRO 77 -13.886 -10.204 -1.298 573 HB2 PRO 77 1HB PRO 77 -16.240 -10.786 -0.077 574 HB3 PRO 77 2HB PRO 77 -14.875 -10.048 0.770 575 HG2 PRO 77 1HG PRO 77 -17.329 -8.755 -0.356 576 HG3 PRO 77 2HG PRO 77 -16.522 -8.462 1.195 577 HD2 PRO 77 1HD PRO 77 -16.197 -6.837 -0.946 578 HD3 PRO 77 2HD PRO 77 -14.911 -7.115 0.246 579 H ASN 78 H ASN 78 -15.924 -8.612 -3.360 580 HA ASN 78 HA ASN 78 -17.828 -10.426 -4.191 581 HB2 ASN 78 1HB ASN 78 -17.767 -9.301 -6.363 582 HB3 ASN 78 2HB ASN 78 -17.652 -8.125 -5.057 583 HD21 ASN 78 1HD2 ASN 78 -16.614 -6.547 -6.162 584 HD22 ASN 78 2HD2 ASN 78 -15.010 -6.702 -6.784 585 H ASN 79 H ASN 79 -17.700 -11.473 -6.506 586 HA ASN 79 HA ASN 79 -16.104 -13.734 -6.331 587 HB2 ASN 79 1HB ASN 79 -18.175 -13.134 -7.862 588 HB3 ASN 79 2HB ASN 79 -16.917 -12.739 -9.030 589 HD21 ASN 79 1HD2 ASN 79 -18.711 -15.200 -7.546 590 HD22 ASN 79 2HD2 ASN 79 -17.913 -16.550 -8.271 591 H LEU 80 H LEU 80 -14.255 -14.429 -7.477 592 HA LEU 80 HA LEU 80 -12.383 -12.260 -8.047 593 HB2 LEU 80 1HB LEU 80 -12.133 -15.139 -7.332 594 HB3 LEU 80 2HB LEU 80 -10.817 -14.374 -8.220 595 HG LEU 80 HG LEU 80 -10.866 -12.617 -6.324 596 HD11 LEU 80 1HD1 LEU 80 -11.909 -14.842 -4.647 597 HD12 LEU 80 2HD1 LEU 80 -13.060 -13.794 -5.476 598 HD13 LEU 80 3HD1 LEU 80 -11.897 -13.104 -4.343 599 HD21 LEU 80 3HD2 LEU 80 -9.228 -13.824 -5.132 600 HD22 LEU 80 1HD2 LEU 80 -9.130 -14.401 -6.796 601 HD23 LEU 80 2HD2 LEU 80 -9.940 -15.378 -5.571 602 H GLU 81 H GLU 81 -13.277 -11.680 -10.095 603 HA GLU 81 HA GLU 81 -13.430 -13.564 -12.238 604 HB2 GLU 81 1HB GLU 81 -14.827 -11.547 -12.189 605 HB3 GLU 81 2HB GLU 81 -13.389 -10.541 -12.297 606 HG2 GLU 81 1HG GLU 81 -12.984 -11.134 -14.506 607 HG3 GLU 81 2HG GLU 81 -14.001 -12.570 -14.407 608 H THR 82 H THR 82 -11.388 -14.546 -12.324 609 HA THR 82 HA THR 82 -9.211 -12.815 -13.299 610 HB THR 82 HB THR 82 -7.635 -14.540 -12.517 611 HG1 THR 82 1HG THR 82 -8.801 -16.053 -10.910 612 HG21 THR 82 3HG2 THR 82 -8.052 -14.235 -10.046 613 HG22 THR 82 1HG2 THR 82 -9.560 -13.430 -10.479 614 HG23 THR 82 2HG2 THR 82 -8.017 -12.750 -10.995 615 H TYR 83 H TYR 83 -8.577 -13.095 -15.332 616 HA TYR 83 HA TYR 83 -9.474 -15.507 -16.752 617 HB2 TYR 83 1HB TYR 83 -8.899 -12.698 -17.643 618 HB3 TYR 83 2HB TYR 83 -8.865 -14.022 -18.802 619 HD1 TYR 83 2HD TYR 83 -11.038 -12.321 -16.315 620 HD2 TYR 83 1HD TYR 83 -10.855 -14.844 -19.736 621 HE1 TYR 83 2HE TYR 83 -13.481 -12.167 -16.552 622 HE2 TYR 83 1HE TYR 83 -13.298 -14.696 -19.983 623 HH TYR 83 HH TYR 83 -15.301 -13.178 -17.558 624 H GLU 84 H GLU 84 -7.229 -15.748 -15.125 625 HA GLU 84 HA GLU 84 -4.929 -15.634 -16.931 626 HB2 GLU 84 1HB GLU 84 -4.572 -14.754 -14.694 627 HB3 GLU 84 2HB GLU 84 -5.118 -16.265 -13.981 628 HG2 GLU 84 1HG GLU 84 -2.703 -16.091 -13.908 629 HG3 GLU 84 2HG GLU 84 -3.206 -17.424 -14.945 630 H TRP 85 H TRP 85 -5.443 -17.327 -18.336 631 HA TRP 85 HA TRP 85 -5.661 -20.007 -17.166 632 HB2 TRP 85 1HB TRP 85 -6.682 -20.713 -19.135 633 HB3 TRP 85 2HB TRP 85 -7.258 -19.055 -18.992 634 HD1 TRP 85 HD TRP 85 -6.532 -17.343 -20.853 635 HE1 TRP 85 1HE TRP 85 -5.318 -17.597 -23.108 636 HE3 TRP 85 3HE TRP 85 -4.794 -22.120 -20.307 637 HZ2 TRP 85 2HZ TRP 85 -3.823 -19.562 -24.476 638 HZ3 TRP 85 3HZ TRP 85 -3.481 -23.113 -22.135 639 HH2 TRP 85 HH TRP 85 -3.007 -21.859 -24.176 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -29.685 -37.806 -27.079 2 HA2 GLY 1 1HA GLY 1 -28.270 -37.438 -25.224 3 HA3 GLY 1 2HA GLY 1 -26.945 -38.167 -26.119 4 H SER 2 H SER 2 -26.174 -36.891 -28.040 5 HA SER 2 HA SER 2 -24.978 -35.012 -28.606 6 HB2 SER 2 1HB SER 2 -27.870 -34.208 -28.582 7 HB3 SER 2 2HB SER 2 -26.630 -33.027 -29.002 8 HG SER 2 HG SER 2 -25.938 -34.949 -30.455 9 H SER 3 H SER 3 -24.535 -35.398 -25.990 10 HA SER 3 HA SER 3 -24.468 -32.658 -24.949 11 HB2 SER 3 1HB SER 3 -25.151 -33.324 -22.749 12 HB3 SER 3 2HB SER 3 -26.353 -33.953 -23.876 13 HG SER 3 HG SER 3 -24.433 -35.312 -22.367 14 H GLY 4 H GLY 4 -22.564 -32.091 -24.048 15 HA2 GLY 4 1HA GLY 4 -20.756 -33.817 -22.772 16 HA3 GLY 4 2HA GLY 4 -20.281 -33.679 -24.458 17 H SER 5 H SER 5 -18.565 -32.856 -22.502 18 HA SER 5 HA SER 5 -18.594 -29.937 -22.870 19 HB2 SER 5 1HB SER 5 -19.212 -30.532 -20.531 20 HB3 SER 5 2HB SER 5 -17.664 -31.361 -20.365 21 HG SER 5 HG SER 5 -18.189 -28.780 -20.035 22 H SER 6 H SER 6 -16.858 -29.235 -23.907 23 HA SER 6 HA SER 6 -14.254 -30.416 -23.422 24 HB2 SER 6 1HB SER 6 -15.512 -30.436 -26.176 25 HB3 SER 6 2HB SER 6 -13.816 -30.787 -25.843 26 HG SER 6 HG SER 6 -14.349 -32.683 -25.037 27 H GLY 7 H GLY 7 -12.991 -28.722 -23.063 28 HA2 GLY 7 1HA GLY 7 -11.825 -26.881 -24.282 29 HA3 GLY 7 2HA GLY 7 -13.430 -26.290 -24.684 30 H GLU 8 H GLU 8 -11.231 -26.918 -21.985 31 HA GLU 8 HA GLU 8 -12.184 -24.506 -20.679 32 HB2 GLU 8 1HB GLU 8 -12.313 -27.209 -19.331 33 HB3 GLU 8 2HB GLU 8 -12.527 -25.668 -18.512 34 HG2 GLU 8 1HG GLU 8 -14.259 -26.484 -20.817 35 HG3 GLU 8 2HG GLU 8 -14.616 -26.970 -19.161 36 H ASP 9 H ASP 9 -10.815 -23.876 -18.850 37 HA ASP 9 HA ASP 9 -8.160 -25.134 -18.879 38 HB2 ASP 9 1HB ASP 9 -7.028 -23.166 -19.286 39 HB3 ASP 9 2HB ASP 9 -8.466 -22.919 -20.272 40 H ASN 10 H ASN 10 -6.921 -24.843 -16.969 41 HA ASN 10 HA ASN 10 -8.524 -24.730 -14.592 42 HB2 ASN 10 1HB ASN 10 -6.376 -26.165 -15.147 43 HB3 ASN 10 2HB ASN 10 -5.536 -24.761 -14.494 44 HD21 ASN 10 1HD2 ASN 10 -8.033 -27.142 -13.776 45 HD22 ASN 10 2HD2 ASN 10 -7.798 -27.137 -12.064 46 H ARG 11 H ARG 11 -9.291 -22.646 -14.356 47 HA ARG 11 HA ARG 11 -7.597 -20.351 -14.504 48 HB2 ARG 11 1HB ARG 11 -10.148 -20.482 -14.853 49 HB3 ARG 11 2HB ARG 11 -10.255 -20.438 -13.098 50 HG2 ARG 11 1HG ARG 11 -9.333 -18.278 -12.990 51 HG3 ARG 11 2HG ARG 11 -8.775 -18.349 -14.663 52 HD2 ARG 11 1HD ARG 11 -10.649 -17.080 -14.946 53 HD3 ARG 11 2HD ARG 11 -11.355 -18.685 -15.130 54 HE ARG 11 HE ARG 11 -11.764 -16.839 -12.943 55 HH11 ARG 11 1HH1 ARG 11 -12.024 -20.124 -14.066 56 HH12 ARG 11 2HH1 ARG 11 -13.235 -20.562 -12.907 57 HH21 ARG 11 1HH2 ARG 11 -13.358 -17.403 -11.413 58 HH22 ARG 11 2HH2 ARG 11 -13.994 -19.013 -11.399 59 H ARG 12 H ARG 12 -6.657 -19.172 -12.887 60 HA ARG 12 HA ARG 12 -7.048 -19.963 -10.113 61 HB2 ARG 12 1HB ARG 12 -4.440 -20.221 -11.593 62 HB3 ARG 12 2HB ARG 12 -4.491 -20.010 -9.848 63 HG2 ARG 12 1HG ARG 12 -6.045 -22.038 -9.829 64 HG3 ARG 12 2HG ARG 12 -5.500 -22.306 -11.486 65 HD2 ARG 12 1HD ARG 12 -3.666 -22.044 -9.109 66 HD3 ARG 12 2HD ARG 12 -4.218 -23.581 -9.773 67 HE ARG 12 HE ARG 12 -3.067 -22.073 -11.835 68 HH11 ARG 12 1HH1 ARG 12 -2.151 -23.732 -8.914 69 HH12 ARG 12 2HH1 ARG 12 -0.546 -24.085 -9.464 70 HH21 ARG 12 1HH2 ARG 12 -0.957 -22.533 -12.569 71 HH22 ARG 12 2HH2 ARG 12 0.132 -23.402 -11.542 72 HA PRO 13 HA PRO 13 -6.618 -15.633 -9.470 73 HB2 PRO 13 1HB PRO 13 -5.956 -15.631 -6.837 74 HB3 PRO 13 2HB PRO 13 -7.587 -15.989 -7.417 75 HG2 PRO 13 1HG PRO 13 -5.420 -17.874 -6.575 76 HG3 PRO 13 2HG PRO 13 -7.153 -17.926 -6.206 77 HD2 PRO 13 1HD PRO 13 -6.028 -19.461 -8.131 78 HD3 PRO 13 2HD PRO 13 -7.690 -18.848 -8.250 79 H LEU 14 H LEU 14 -5.068 -14.041 -9.396 80 HA LEU 14 HA LEU 14 -2.331 -14.907 -9.710 81 HB2 LEU 14 1HB LEU 14 -3.755 -12.284 -9.970 82 HB3 LEU 14 2HB LEU 14 -1.995 -12.363 -9.971 83 HG LEU 14 HG LEU 14 -2.424 -14.124 -11.895 84 HD11 LEU 14 1HD1 LEU 14 -4.532 -12.495 -12.926 85 HD12 LEU 14 2HD1 LEU 14 -5.031 -13.191 -11.385 86 HD13 LEU 14 3HD1 LEU 14 -4.487 -14.242 -12.692 87 HD21 LEU 14 3HD2 LEU 14 -2.690 -11.844 -13.360 88 HD22 LEU 14 1HD2 LEU 14 -1.170 -12.450 -12.701 89 HD23 LEU 14 2HD2 LEU 14 -2.078 -11.215 -11.829 90 H TRP 15 H TRP 15 -3.949 -12.503 -7.626 91 HA TRP 15 HA TRP 15 -1.680 -12.570 -5.800 92 HB2 TRP 15 1HB TRP 15 -4.186 -10.910 -5.522 93 HB3 TRP 15 2HB TRP 15 -2.614 -10.631 -4.777 94 HD1 TRP 15 HD TRP 15 -4.269 -10.535 -8.272 95 HE1 TRP 15 1HE TRP 15 -2.998 -8.819 -9.709 96 HE3 TRP 15 3HE TRP 15 -0.530 -9.345 -4.996 97 HZ2 TRP 15 2HZ TRP 15 -0.712 -7.178 -9.483 98 HZ3 TRP 15 3HZ TRP 15 1.160 -7.694 -5.684 99 HH2 TRP 15 HH TRP 15 1.069 -6.634 -7.882 100 H GLU 16 H GLU 16 -2.573 -12.248 -3.362 101 HA GLU 16 HA GLU 16 -4.297 -14.584 -2.859 102 HB2 GLU 16 1HB GLU 16 -1.887 -13.541 -1.395 103 HB3 GLU 16 2HB GLU 16 -3.058 -14.575 -0.589 104 HG2 GLU 16 1HG GLU 16 -2.685 -16.290 -2.326 105 HG3 GLU 16 2HG GLU 16 -1.438 -15.262 -3.029 106 HA PRO 17 HA PRO 17 -7.143 -12.008 -0.726 107 HB2 PRO 17 1HB PRO 17 -8.122 -13.758 1.105 108 HB3 PRO 17 2HB PRO 17 -8.520 -13.845 -0.615 109 HG2 PRO 17 1HG PRO 17 -6.510 -15.421 0.946 110 HG3 PRO 17 2HG PRO 17 -7.651 -15.977 -0.291 111 HD2 PRO 17 1HD PRO 17 -5.035 -15.522 -0.821 112 HD3 PRO 17 2HD PRO 17 -6.312 -15.263 -2.026 113 H GLU 18 H GLU 18 -4.310 -13.096 0.669 114 HA GLU 18 HA GLU 18 -4.855 -11.999 3.315 115 HB2 GLU 18 1HB GLU 18 -2.691 -12.866 3.946 116 HB3 GLU 18 2HB GLU 18 -3.581 -14.115 3.086 117 HG2 GLU 18 1HG GLU 18 -2.309 -13.309 1.009 118 HG3 GLU 18 2HG GLU 18 -1.244 -12.496 2.154 119 H GLU 19 H GLU 19 -2.762 -11.399 0.521 120 HA GLU 19 HA GLU 19 -1.596 -9.045 1.697 121 HB2 GLU 19 1HB GLU 19 -1.485 -10.073 -1.144 122 HB3 GLU 19 2HB GLU 19 -0.505 -8.766 -0.494 123 HG2 GLU 19 1HG GLU 19 0.502 -10.345 1.101 124 HG3 GLU 19 2HG GLU 19 -0.438 -11.647 0.373 125 H THR 20 H THR 20 -2.585 -7.154 1.816 126 HA THR 20 HA THR 20 -5.048 -6.518 0.729 127 HB THR 20 HB THR 20 -2.880 -4.517 1.390 128 HG1 THR 20 1HG THR 20 -3.133 -5.738 3.210 129 HG21 THR 20 3HG2 THR 20 -5.794 -4.075 1.841 130 HG22 THR 20 1HG2 THR 20 -5.156 -3.908 0.207 131 HG23 THR 20 2HG2 THR 20 -4.516 -2.906 1.510 132 H VAL 21 H VAL 21 -5.429 -6.712 -1.407 133 HA VAL 21 HA VAL 21 -3.569 -5.434 -3.289 134 HB VAL 21 HB VAL 21 -5.733 -7.486 -3.756 135 HG11 VAL 21 1HG1 VAL 21 -4.253 -7.329 -6.065 136 HG12 VAL 21 2HG1 VAL 21 -5.857 -6.637 -5.820 137 HG13 VAL 21 3HG1 VAL 21 -4.420 -5.640 -5.589 138 HG21 VAL 21 3HG2 VAL 21 -2.777 -7.570 -3.497 139 HG22 VAL 21 1HG2 VAL 21 -3.993 -8.738 -2.981 140 HG23 VAL 21 2HG2 VAL 21 -3.528 -8.640 -4.680 141 H VAL 22 H VAL 22 -4.163 -3.730 -4.505 142 HA VAL 22 HA VAL 22 -6.968 -2.837 -4.325 143 HB VAL 22 HB VAL 22 -5.979 -0.496 -4.647 144 HG11 VAL 22 1HG1 VAL 22 -5.691 -0.183 -2.271 145 HG12 VAL 22 2HG1 VAL 22 -6.995 -1.338 -2.556 146 HG13 VAL 22 3HG1 VAL 22 -5.405 -1.908 -2.045 147 HG21 VAL 22 3HG2 VAL 22 -3.732 -1.119 -5.275 148 HG22 VAL 22 1HG2 VAL 22 -3.686 -0.217 -3.761 149 HG23 VAL 22 2HG2 VAL 22 -3.506 -1.971 -3.748 150 H ILE 23 H ILE 23 -7.707 -1.505 -6.130 151 HA ILE 23 HA ILE 23 -6.269 -2.083 -8.636 152 HB ILE 23 HB ILE 23 -9.272 -2.006 -8.393 153 HG12 ILE 23 1HG1 ILE 23 -8.841 -4.583 -8.871 154 HG13 ILE 23 2HG1 ILE 23 -7.333 -4.246 -8.027 155 HG21 ILE 23 1HG2 ILE 23 -8.638 -3.490 -10.590 156 HG22 ILE 23 2HG2 ILE 23 -9.039 -1.773 -10.608 157 HG23 ILE 23 3HG2 ILE 23 -7.352 -2.283 -10.582 158 HD11 ILE 23 3HD1 ILE 23 -10.010 -4.580 -6.986 159 HD12 ILE 23 1HD1 ILE 23 -8.455 -4.645 -6.158 160 HD13 ILE 23 2HD1 ILE 23 -9.253 -3.093 -6.419 161 H ALA 24 H ALA 24 -6.350 -0.518 -10.247 162 HA ALA 24 HA ALA 24 -6.953 2.165 -9.289 163 HB1 ALA 24 3HB ALA 24 -5.821 1.652 -11.996 164 HB2 ALA 24 1HB ALA 24 -5.482 2.956 -10.857 165 HB3 ALA 24 2HB ALA 24 -4.816 1.346 -10.579 166 H LEU 25 H LEU 25 -8.713 3.269 -9.843 167 HA LEU 25 HA LEU 25 -10.710 2.101 -11.516 168 HB2 LEU 25 1HB LEU 25 -10.553 4.878 -10.353 169 HB3 LEU 25 2HB LEU 25 -11.986 4.134 -11.060 170 HG LEU 25 HG LEU 25 -10.663 2.840 -8.714 171 HD11 LEU 25 1HD1 LEU 25 -12.173 5.400 -8.722 172 HD12 LEU 25 2HD1 LEU 25 -10.853 4.866 -7.682 173 HD13 LEU 25 3HD1 LEU 25 -12.483 4.245 -7.424 174 HD21 LEU 25 3HD2 LEU 25 -12.610 1.906 -10.134 175 HD22 LEU 25 1HD2 LEU 25 -13.591 3.097 -9.281 176 HD23 LEU 25 2HD2 LEU 25 -12.734 1.850 -8.375 177 H TYR 26 H TYR 26 -8.243 4.537 -11.933 178 HA TYR 26 HA TYR 26 -8.957 4.694 -14.778 179 HB2 TYR 26 1HB TYR 26 -7.934 7.111 -13.315 180 HB3 TYR 26 2HB TYR 26 -8.770 7.028 -14.862 181 HD1 TYR 26 1HD TYR 26 -11.216 6.649 -14.928 182 HD2 TYR 26 2HD TYR 26 -9.144 7.234 -11.258 183 HE1 TYR 26 1HE TYR 26 -13.352 7.126 -13.805 184 HE2 TYR 26 2HE TYR 26 -11.274 7.710 -10.125 185 HH TYR 26 HH TYR 26 -14.346 7.256 -11.719 186 H ASP 27 H ASP 27 -7.127 5.621 -16.094 187 HA ASP 27 HA ASP 27 -4.668 4.299 -15.290 188 HB2 ASP 27 1HB ASP 27 -3.952 5.037 -17.647 189 HB3 ASP 27 2HB ASP 27 -5.232 3.833 -17.524 190 H TYR 28 H TYR 28 -3.772 5.594 -13.713 191 HA TYR 28 HA TYR 28 -3.502 8.416 -13.973 192 HB2 TYR 28 1HB TYR 28 -3.532 7.363 -11.777 193 HB3 TYR 28 2HB TYR 28 -2.072 6.458 -12.163 194 HD1 TYR 28 2HD TYR 28 -3.014 10.058 -12.539 195 HD2 TYR 28 1HD TYR 28 -0.314 7.219 -10.880 196 HE1 TYR 28 2HE TYR 28 -1.645 11.893 -11.641 197 HE2 TYR 28 1HE TYR 28 1.062 9.046 -9.977 198 HH TYR 28 HH TYR 28 -0.009 12.242 -9.810 199 H GLN 29 H GLN 29 -1.626 9.638 -14.362 200 HA GLN 29 HA GLN 29 0.600 8.203 -15.637 201 HB2 GLN 29 1HB GLN 29 -1.069 10.417 -16.748 202 HB3 GLN 29 2HB GLN 29 0.637 10.352 -17.167 203 HG2 GLN 29 1HG GLN 29 0.415 8.338 -18.297 204 HG3 GLN 29 2HG GLN 29 -1.107 7.947 -17.497 205 HE21 GLN 29 1HE2 GLN 29 -1.182 7.602 -20.070 206 HE22 GLN 29 2HE2 GLN 29 -2.005 8.880 -20.892 207 H THR 30 H THR 30 2.613 8.992 -15.231 208 HA THR 30 HA THR 30 2.984 11.605 -14.047 209 HB THR 30 HB THR 30 2.431 10.373 -12.045 210 HG1 THR 30 1HG THR 30 4.496 11.770 -12.280 211 HG21 THR 30 3HG2 THR 30 2.946 8.114 -12.958 212 HG22 THR 30 1HG2 THR 30 3.601 8.386 -11.344 213 HG23 THR 30 2HG2 THR 30 4.661 8.464 -12.751 214 H ASN 31 H ASN 31 5.168 12.278 -14.008 215 HA ASN 31 HA ASN 31 7.000 10.533 -15.520 216 HB2 ASN 31 1HB ASN 31 7.107 13.542 -15.610 217 HB3 ASN 31 2HB ASN 31 7.830 12.385 -16.724 218 HD21 ASN 31 1HD2 ASN 31 5.163 14.341 -16.056 219 HD22 ASN 31 2HD2 ASN 31 4.136 13.804 -17.337 220 H ASP 32 H ASP 32 6.843 10.507 -12.719 221 HA ASP 32 HA ASP 32 9.448 11.690 -12.020 222 HB2 ASP 32 1HB ASP 32 7.222 12.667 -10.959 223 HB3 ASP 32 2HB ASP 32 7.395 11.276 -9.892 224 HA PRO 33 HA PRO 33 10.622 7.570 -11.000 225 HB2 PRO 33 1HB PRO 33 12.736 8.131 -9.391 226 HB3 PRO 33 2HB PRO 33 12.790 8.317 -11.148 227 HG2 PRO 33 1HG PRO 33 12.357 10.393 -9.035 228 HG3 PRO 33 2HG PRO 33 13.363 10.474 -10.494 229 HD2 PRO 33 1HD PRO 33 10.908 11.607 -10.353 230 HD3 PRO 33 2HD PRO 33 11.565 10.938 -11.860 231 H GLN 34 H GLN 34 9.767 9.921 -8.592 232 HA GLN 34 HA GLN 34 9.808 8.036 -6.402 233 HB2 GLN 34 1HB GLN 34 8.928 10.905 -6.661 234 HB3 GLN 34 2HB GLN 34 8.666 9.979 -5.189 235 HG2 GLN 34 1HG GLN 34 11.376 10.328 -6.433 236 HG3 GLN 34 2HG GLN 34 10.712 11.445 -5.242 237 HE21 GLN 34 1HE2 GLN 34 10.320 10.690 -3.124 238 HE22 GLN 34 2HE2 GLN 34 11.147 9.306 -2.504 239 H GLU 35 H GLU 35 7.466 9.412 -8.613 240 HA GLU 35 HA GLU 35 5.283 8.039 -7.223 241 HB2 GLU 35 1HB GLU 35 5.288 10.091 -9.439 242 HB3 GLU 35 2HB GLU 35 3.833 9.295 -8.855 243 HG2 GLU 35 1HG GLU 35 4.190 11.542 -7.897 244 HG3 GLU 35 2HG GLU 35 4.092 10.265 -6.686 245 H LEU 36 H LEU 36 3.745 6.779 -8.482 246 HA LEU 36 HA LEU 36 5.004 5.466 -10.800 247 HB2 LEU 36 1HB LEU 36 5.002 4.013 -8.845 248 HB3 LEU 36 2HB LEU 36 3.263 4.238 -8.666 249 HG LEU 36 HG LEU 36 3.276 3.229 -11.129 250 HD11 LEU 36 1HD1 LEU 36 5.253 2.453 -11.767 251 HD12 LEU 36 2HD1 LEU 36 5.159 1.273 -10.460 252 HD13 LEU 36 3HD1 LEU 36 5.962 2.821 -10.195 253 HD21 LEU 36 3HD2 LEU 36 2.546 1.221 -10.197 254 HD22 LEU 36 1HD2 LEU 36 2.220 2.410 -8.936 255 HD23 LEU 36 2HD2 LEU 36 3.631 1.358 -8.813 256 H ALA 37 H ALA 37 3.747 5.037 -12.567 257 HA ALA 37 HA ALA 37 1.204 6.444 -12.690 258 HB1 ALA 37 3HB ALA 37 2.536 5.008 -14.966 259 HB2 ALA 37 1HB ALA 37 1.391 6.348 -15.028 260 HB3 ALA 37 2HB ALA 37 3.035 6.618 -14.449 261 H LEU 38 H LEU 38 -0.434 5.285 -11.846 262 HA LEU 38 HA LEU 38 -0.639 2.479 -11.878 263 HB2 LEU 38 1HB LEU 38 -2.712 4.631 -11.517 264 HB3 LEU 38 2HB LEU 38 -3.055 2.912 -11.328 265 HG LEU 38 HG LEU 38 -0.988 4.359 -9.685 266 HD11 LEU 38 1HD1 LEU 38 -2.635 4.526 -7.922 267 HD12 LEU 38 2HD1 LEU 38 -3.862 3.805 -8.964 268 HD13 LEU 38 3HD1 LEU 38 -3.196 5.390 -9.355 269 HD21 LEU 38 3HD2 LEU 38 -2.487 1.855 -8.995 270 HD22 LEU 38 1HD2 LEU 38 -0.968 2.460 -8.332 271 HD23 LEU 38 2HD2 LEU 38 -1.017 1.808 -9.970 272 H ARG 39 H ARG 39 -2.306 1.196 -12.969 273 HA ARG 39 HA ARG 39 -2.829 2.188 -15.695 274 HB2 ARG 39 1HB ARG 39 -1.143 0.357 -15.572 275 HB3 ARG 39 2HB ARG 39 -2.371 -0.680 -14.857 276 HG2 ARG 39 1HG ARG 39 -3.565 -0.849 -16.829 277 HG3 ARG 39 2HG ARG 39 -2.861 0.624 -17.499 278 HD2 ARG 39 1HD ARG 39 -0.941 -0.432 -18.160 279 HD3 ARG 39 2HD ARG 39 -1.048 -1.652 -16.892 280 HE ARG 39 HE ARG 39 -2.188 -2.984 -18.348 281 HH11 ARG 39 1HH1 ARG 39 -2.383 0.307 -19.466 282 HH12 ARG 39 2HH1 ARG 39 -3.184 -0.106 -20.946 283 HH21 ARG 39 1HH2 ARG 39 -3.243 -3.540 -20.292 284 HH22 ARG 39 2HH2 ARG 39 -3.674 -2.294 -21.414 285 H ARG 40 H ARG 40 -4.820 1.756 -16.624 286 HA ARG 40 HA ARG 40 -7.015 1.542 -14.835 287 HB2 ARG 40 1HB ARG 40 -7.158 2.855 -16.890 288 HB3 ARG 40 2HB ARG 40 -6.934 1.402 -17.854 289 HG2 ARG 40 1HG ARG 40 -9.062 0.649 -17.470 290 HG3 ARG 40 2HG ARG 40 -9.206 1.512 -15.937 291 HD2 ARG 40 1HD ARG 40 -9.093 3.642 -17.396 292 HD3 ARG 40 2HD ARG 40 -9.485 2.559 -18.730 293 HE ARG 40 HE ARG 40 -11.252 3.460 -16.655 294 HH11 ARG 40 1HH1 ARG 40 -10.614 0.931 -18.961 295 HH12 ARG 40 2HH1 ARG 40 -12.266 0.413 -19.046 296 HH21 ARG 40 1HH2 ARG 40 -13.429 2.788 -16.759 297 HH22 ARG 40 2HH2 ARG 40 -13.866 1.471 -17.794 298 H ASN 41 H ASN 41 -7.907 -0.227 -14.020 299 HA ASN 41 HA ASN 41 -8.719 -2.355 -13.837 300 HB2 ASN 41 1HB ASN 41 -7.748 -2.941 -16.630 301 HB3 ASN 41 2HB ASN 41 -9.073 -3.699 -15.752 302 HD21 ASN 41 1HD2 ASN 41 -9.026 -2.409 -18.375 303 HD22 ASN 41 2HD2 ASN 41 -10.217 -1.160 -18.309 304 H GLU 42 H GLU 42 -6.136 -1.655 -12.973 305 HA GLU 42 HA GLU 42 -4.770 -4.247 -13.248 306 HB2 GLU 42 1HB GLU 42 -3.673 -1.494 -13.538 307 HB3 GLU 42 2HB GLU 42 -2.662 -2.698 -12.751 308 HG2 GLU 42 1HG GLU 42 -3.759 -2.743 -15.544 309 HG3 GLU 42 2HG GLU 42 -2.072 -2.700 -15.033 310 H GLU 43 H GLU 43 -3.968 -5.141 -11.396 311 HA GLU 43 HA GLU 43 -4.843 -3.909 -8.905 312 HB2 GLU 43 1HB GLU 43 -3.673 -6.647 -9.426 313 HB3 GLU 43 2HB GLU 43 -4.329 -6.090 -7.894 314 HG2 GLU 43 1HG GLU 43 -6.098 -7.272 -8.719 315 HG3 GLU 43 2HG GLU 43 -6.480 -5.654 -9.305 316 H TYR 44 H TYR 44 -3.450 -3.733 -7.066 317 HA TYR 44 HA TYR 44 -0.581 -3.877 -7.533 318 HB2 TYR 44 1HB TYR 44 -1.993 -1.304 -6.803 319 HB3 TYR 44 2HB TYR 44 -0.251 -1.541 -6.720 320 HD1 TYR 44 1HD TYR 44 -3.134 -1.187 -8.969 321 HD2 TYR 44 2HD TYR 44 1.095 -1.586 -8.721 322 HE1 TYR 44 1HE TYR 44 -2.938 -0.525 -11.330 323 HE2 TYR 44 2HE TYR 44 1.302 -0.923 -11.080 324 HH TYR 44 HH TYR 44 -0.471 0.618 -12.721 325 H CYS 45 H CYS 45 0.625 -4.110 -5.673 326 HA CYS 45 HA CYS 45 -0.893 -4.825 -3.302 327 HB2 CYS 45 1HB CYS 45 0.839 -6.363 -4.047 328 HB3 CYS 45 2HB CYS 45 2.049 -5.089 -3.951 329 HG CYS 45 HG CYS 45 1.792 -7.226 -1.790 330 H LEU 46 H LEU 46 -0.972 -3.689 -1.456 331 HA LEU 46 HA LEU 46 0.171 -1.032 -1.437 332 HB2 LEU 46 1HB LEU 46 -2.166 -1.659 -0.657 333 HB3 LEU 46 2HB LEU 46 -1.392 -2.342 0.772 334 HG LEU 46 HG LEU 46 -0.521 -0.132 1.359 335 HD11 LEU 46 1HD1 LEU 46 -1.673 0.563 -1.285 336 HD12 LEU 46 2HD1 LEU 46 -0.202 1.138 -0.501 337 HD13 LEU 46 3HD1 LEU 46 -1.771 1.767 0.001 338 HD21 LEU 46 3HD2 LEU 46 -2.407 -0.118 2.543 339 HD22 LEU 46 1HD2 LEU 46 -3.324 -0.860 1.231 340 HD23 LEU 46 2HD2 LEU 46 -3.094 0.889 1.267 341 H LEU 47 H LEU 47 2.204 -0.752 -0.812 342 HA LEU 47 HA LEU 47 3.503 -2.621 0.969 343 HB2 LEU 47 1HB LEU 47 4.491 -0.084 -0.326 344 HB3 LEU 47 2HB LEU 47 5.488 -1.189 0.618 345 HG LEU 47 HG LEU 47 4.044 -2.164 -1.817 346 HD11 LEU 47 1HD1 LEU 47 6.180 -0.196 -1.745 347 HD12 LEU 47 2HD1 LEU 47 5.175 -0.731 -3.092 348 HD13 LEU 47 3HD1 LEU 47 6.617 -1.646 -2.650 349 HD21 LEU 47 3HD2 LEU 47 4.977 -3.962 -0.735 350 HD22 LEU 47 1HD2 LEU 47 6.337 -3.025 -0.117 351 HD23 LEU 47 2HD2 LEU 47 6.295 -3.504 -1.814 352 H ASP 48 H ASP 48 2.948 0.903 1.000 353 HA ASP 48 HA ASP 48 2.417 0.816 3.845 354 HB2 ASP 48 1HB ASP 48 4.870 2.113 2.691 355 HB3 ASP 48 2HB ASP 48 4.136 2.731 4.168 356 H SER 49 H SER 49 0.765 2.126 4.225 357 HA SER 49 HA SER 49 0.184 4.256 2.294 358 HB2 SER 49 1HB SER 49 -1.615 3.052 4.412 359 HB3 SER 49 2HB SER 49 -2.097 4.205 3.167 360 HG SER 49 HG SER 49 -1.045 1.616 2.665 361 H SER 50 H SER 50 2.248 4.713 4.145 362 HA SER 50 HA SER 50 1.754 5.902 6.526 363 HB2 SER 50 1HB SER 50 3.975 5.712 5.247 364 HB3 SER 50 2HB SER 50 3.545 7.258 4.515 365 HG SER 50 HG SER 50 3.194 7.828 6.908 366 H GLU 51 H GLU 51 1.545 7.569 3.383 367 HA GLU 51 HA GLU 51 0.263 9.854 4.639 368 HB2 GLU 51 1HB GLU 51 1.363 9.258 1.927 369 HB3 GLU 51 2HB GLU 51 0.169 10.538 2.088 370 HG2 GLU 51 1HG GLU 51 2.076 11.746 2.336 371 HG3 GLU 51 2HG GLU 51 1.761 11.332 4.021 372 H ILE 52 H ILE 52 -1.738 10.754 3.666 373 HA ILE 52 HA ILE 52 -3.709 8.636 3.394 374 HB ILE 52 HB ILE 52 -4.102 11.626 3.555 375 HG12 ILE 52 1HG1 ILE 52 -4.772 9.706 5.751 376 HG13 ILE 52 2HG1 ILE 52 -3.104 10.230 5.554 377 HG21 ILE 52 1HG2 ILE 52 -5.933 10.386 2.435 378 HG22 ILE 52 2HG2 ILE 52 -6.120 9.414 3.894 379 HG23 ILE 52 3HG2 ILE 52 -6.428 11.150 3.945 380 HD11 ILE 52 3HD1 ILE 52 -3.554 12.090 6.651 381 HD12 ILE 52 1HD1 ILE 52 -4.776 12.521 5.456 382 HD13 ILE 52 2HD1 ILE 52 -5.221 11.555 6.863 383 H HIS 53 H HIS 53 -2.839 11.605 1.619 384 HA HIS 53 HA HIS 53 -4.454 10.929 -0.640 385 HB2 HIS 53 1HB HIS 53 -2.187 12.916 -0.632 386 HB3 HIS 53 2HB HIS 53 -3.634 12.921 -1.636 387 HD1 HIS 53 1HD HIS 53 -5.929 13.422 -0.291 388 HD2 HIS 53 2HD HIS 53 -2.385 14.386 1.652 389 HE1 HIS 53 1HE HIS 53 -6.582 14.998 1.556 390 HE2 HIS 53 2HE HIS 53 -4.412 15.634 2.664 391 H TRP 54 H TRP 54 -1.065 10.560 0.207 392 HA TRP 54 HA TRP 54 -0.586 9.243 -2.380 393 HB2 TRP 54 1HB TRP 54 1.416 10.340 -0.393 394 HB3 TRP 54 2HB TRP 54 1.806 9.603 -1.945 395 HD1 TRP 54 HD TRP 54 1.466 12.886 -0.467 396 HE1 TRP 54 1HE TRP 54 1.062 14.698 -2.251 397 HE3 TRP 54 3HE TRP 54 0.221 9.880 -4.411 398 HZ2 TRP 54 2HZ TRP 54 0.314 14.834 -4.969 399 HZ3 TRP 54 3HZ TRP 54 -0.325 10.930 -6.568 400 HH2 TRP 54 HH TRP 54 -0.280 13.356 -6.839 401 H TRP 55 H TRP 55 -0.477 7.104 -2.400 402 HA TRP 55 HA TRP 55 0.196 5.711 0.109 403 HB2 TRP 55 1HB TRP 55 -1.857 5.155 -1.986 404 HB3 TRP 55 2HB TRP 55 -1.114 3.787 -1.162 405 HD1 TRP 55 HD TRP 55 -1.310 6.557 1.236 406 HE1 TRP 55 1HE TRP 55 -3.338 6.281 2.796 407 HE3 TRP 55 3HE TRP 55 -3.828 2.929 -1.340 408 HZ2 TRP 55 2HZ TRP 55 -5.693 4.730 2.920 409 HZ3 TRP 55 3HZ TRP 55 -5.961 2.103 -0.432 410 HH2 TRP 55 HH TRP 55 -6.872 2.986 1.654 411 H ARG 56 H ARG 56 1.619 3.996 0.039 412 HA ARG 56 HA ARG 56 3.283 3.875 -2.359 413 HB2 ARG 56 1HB ARG 56 4.116 4.176 0.104 414 HB3 ARG 56 2HB ARG 56 3.912 2.431 0.190 415 HG2 ARG 56 1HG ARG 56 5.533 2.057 -1.478 416 HG3 ARG 56 2HG ARG 56 5.548 3.758 -1.948 417 HD2 ARG 56 1HD ARG 56 6.351 4.228 0.428 418 HD3 ARG 56 2HD ARG 56 6.648 2.494 0.546 419 HE ARG 56 HE ARG 56 8.218 4.420 -0.876 420 HH11 ARG 56 1HH1 ARG 56 7.248 1.078 -0.771 421 HH12 ARG 56 2HH1 ARG 56 8.659 0.507 -1.600 422 HH21 ARG 56 1HH2 ARG 56 10.079 3.681 -1.967 423 HH22 ARG 56 2HH2 ARG 56 10.269 1.988 -2.279 424 H VAL 57 H VAL 57 2.999 2.309 -3.791 425 HA VAL 57 HA VAL 57 2.077 -0.323 -2.852 426 HB VAL 57 HB VAL 57 0.698 -0.588 -4.841 427 HG11 VAL 57 1HG1 VAL 57 -0.234 2.033 -3.807 428 HG12 VAL 57 2HG1 VAL 57 -1.111 0.514 -4.003 429 HG13 VAL 57 3HG1 VAL 57 -0.006 0.727 -2.644 430 HG21 VAL 57 3HG2 VAL 57 2.071 1.859 -5.643 431 HG22 VAL 57 1HG2 VAL 57 1.290 0.621 -6.627 432 HG23 VAL 57 2HG2 VAL 57 0.329 1.914 -5.910 433 H GLN 58 H GLN 58 2.381 -2.000 -4.676 434 HA GLN 58 HA GLN 58 4.795 -1.454 -6.245 435 HB2 GLN 58 1HB GLN 58 5.567 -2.498 -4.178 436 HB3 GLN 58 2HB GLN 58 4.435 -3.825 -4.404 437 HG2 GLN 58 1HG GLN 58 5.613 -4.496 -6.429 438 HG3 GLN 58 2HG GLN 58 6.741 -3.157 -6.219 439 HE21 GLN 58 1HE2 GLN 58 8.382 -3.330 -4.766 440 HE22 GLN 58 2HE2 GLN 58 8.736 -4.776 -3.888 441 H ASP 59 H ASP 59 4.478 -2.021 -8.283 442 HA ASP 59 HA ASP 59 2.176 -3.382 -9.170 443 HB2 ASP 59 1HB ASP 59 3.115 -1.919 -10.738 444 HB3 ASP 59 2HB ASP 59 4.741 -2.549 -10.493 445 H ARG 60 H ARG 60 2.306 -5.345 -10.640 446 HA ARG 60 HA ARG 60 3.066 -7.582 -9.162 447 HB2 ARG 60 1HB ARG 60 1.362 -7.705 -10.888 448 HB3 ARG 60 2HB ARG 60 2.549 -7.327 -12.129 449 HG2 ARG 60 1HG ARG 60 2.227 -9.633 -12.287 450 HG3 ARG 60 2HG ARG 60 3.744 -9.454 -11.403 451 HD2 ARG 60 1HD ARG 60 2.641 -9.879 -9.313 452 HD3 ARG 60 2HD ARG 60 1.061 -9.866 -10.095 453 HE ARG 60 HE ARG 60 2.709 -11.845 -11.257 454 HH11 ARG 60 1HH1 ARG 60 0.897 -11.154 -8.366 455 HH12 ARG 60 2HH1 ARG 60 0.608 -12.820 -7.992 456 HH21 ARG 60 1HH2 ARG 60 2.335 -14.043 -10.775 457 HH22 ARG 60 2HH2 ARG 60 1.427 -14.463 -9.363 458 H ASN 61 H ASN 61 4.763 -5.838 -11.711 459 HA ASN 61 HA ASN 61 6.895 -7.726 -11.936 460 HB2 ASN 61 1HB ASN 61 6.639 -4.850 -12.834 461 HB3 ASN 61 2HB ASN 61 8.027 -5.870 -13.202 462 HD21 ASN 61 1HD2 ASN 61 5.044 -4.831 -14.241 463 HD22 ASN 61 2HD2 ASN 61 4.759 -6.015 -15.466 464 H GLY 62 H GLY 62 6.532 -4.577 -10.326 465 HA2 GLY 62 1HA GLY 62 7.667 -4.775 -8.004 466 HA3 GLY 62 2HA GLY 62 9.108 -5.018 -8.979 467 H HIS 63 H HIS 63 6.520 -2.834 -9.876 468 HA HIS 63 HA HIS 63 8.418 -0.610 -9.685 469 HB2 HIS 63 1HB HIS 63 5.727 -0.582 -11.051 470 HB3 HIS 63 2HB HIS 63 7.064 0.542 -11.276 471 HD1 HIS 63 1HD HIS 63 5.663 -1.201 -13.546 472 HD2 HIS 63 2HD HIS 63 9.300 -2.004 -11.705 473 HE1 HIS 63 1HE HIS 63 6.935 -2.641 -15.169 474 HE2 HIS 63 2HE HIS 63 9.097 -3.184 -13.997 475 H GLU 64 H GLU 64 8.335 0.481 -7.835 476 HA GLU 64 HA GLU 64 5.731 0.844 -6.519 477 HB2 GLU 64 1HB GLU 64 8.426 1.367 -5.277 478 HB3 GLU 64 2HB GLU 64 6.883 1.139 -4.467 479 HG2 GLU 64 1HG GLU 64 6.951 -1.131 -4.662 480 HG3 GLU 64 2HG GLU 64 7.935 -1.087 -6.124 481 H GLY 65 H GLY 65 5.447 2.952 -5.364 482 HA2 GLY 65 1HA GLY 65 6.803 5.274 -5.687 483 HA3 GLY 65 2HA GLY 65 5.968 5.100 -7.223 484 H TYR 66 H TYR 66 5.614 7.181 -5.257 485 HA TYR 66 HA TYR 66 3.285 6.769 -3.717 486 HB2 TYR 66 1HB TYR 66 4.523 9.308 -4.793 487 HB3 TYR 66 2HB TYR 66 3.186 9.273 -3.648 488 HD1 TYR 66 1HD TYR 66 3.925 7.204 -1.767 489 HD2 TYR 66 2HD TYR 66 6.389 10.100 -3.677 490 HE1 TYR 66 1HE TYR 66 5.522 7.067 0.098 491 HE2 TYR 66 2HE TYR 66 7.993 9.970 -1.818 492 HH TYR 66 HH TYR 66 7.341 7.984 1.037 493 H VAL 67 H VAL 67 1.293 6.418 -4.411 494 HA VAL 67 HA VAL 67 0.432 7.683 -6.932 495 HB VAL 67 HB VAL 67 -1.200 5.676 -7.034 496 HG11 VAL 67 1HG1 VAL 67 0.828 4.250 -7.975 497 HG12 VAL 67 2HG1 VAL 67 0.247 5.701 -8.795 498 HG13 VAL 67 3HG1 VAL 67 1.675 5.781 -7.763 499 HG21 VAL 67 3HG2 VAL 67 -0.143 5.013 -4.654 500 HG22 VAL 67 1HG2 VAL 67 -0.843 3.837 -5.767 501 HG23 VAL 67 2HG2 VAL 67 0.904 4.075 -5.719 502 HA PRO 68 HA PRO 68 -2.895 9.493 -4.706 503 HB2 PRO 68 1HB PRO 68 -4.771 9.649 -6.662 504 HB3 PRO 68 2HB PRO 68 -3.345 10.692 -6.614 505 HG2 PRO 68 1HG PRO 68 -3.823 8.210 -8.218 506 HG3 PRO 68 2HG PRO 68 -3.080 9.741 -8.719 507 HD2 PRO 68 1HD PRO 68 -1.619 7.551 -8.083 508 HD3 PRO 68 2HD PRO 68 -1.044 9.204 -7.782 509 H SER 69 H SER 69 -3.617 8.057 -3.182 510 HA SER 69 HA SER 69 -4.685 5.593 -3.371 511 HB2 SER 69 1HB SER 69 -5.885 5.995 -1.315 512 HB3 SER 69 2HB SER 69 -4.373 6.900 -1.253 513 HG SER 69 HG SER 69 -5.477 8.679 -1.141 514 H SER 70 H SER 70 -6.303 8.591 -4.203 515 HA SER 70 HA SER 70 -8.931 7.890 -4.360 516 HB2 SER 70 1HB SER 70 -7.436 9.464 -6.472 517 HB3 SER 70 2HB SER 70 -9.171 9.524 -6.160 518 HG SER 70 HG SER 70 -7.476 11.104 -5.126 519 H TYR 71 H TYR 71 -6.466 7.268 -6.846 520 HA TYR 71 HA TYR 71 -8.208 5.924 -8.625 521 HB2 TYR 71 1HB TYR 71 -5.215 6.026 -8.334 522 HB3 TYR 71 2HB TYR 71 -5.980 4.992 -9.536 523 HD1 TYR 71 1HD TYR 71 -6.796 8.455 -8.400 524 HD2 TYR 71 2HD TYR 71 -5.587 5.941 -11.613 525 HE1 TYR 71 1HE TYR 71 -6.941 10.366 -9.941 526 HE2 TYR 71 2HE TYR 71 -5.727 7.845 -13.163 527 HH TYR 71 HH TYR 71 -6.444 9.965 -13.415 528 H LEU 72 H LEU 72 -5.946 4.764 -6.151 529 HA LEU 72 HA LEU 72 -6.390 2.008 -6.624 530 HB2 LEU 72 1HB LEU 72 -5.364 3.493 -4.213 531 HB3 LEU 72 2HB LEU 72 -5.407 1.735 -4.331 532 HG LEU 72 HG LEU 72 -3.797 3.596 -6.077 533 HD11 LEU 72 1HD1 LEU 72 -3.152 1.899 -3.704 534 HD12 LEU 72 2HD1 LEU 72 -2.661 3.553 -4.067 535 HD13 LEU 72 3HD1 LEU 72 -1.929 2.205 -4.938 536 HD21 LEU 72 3HD2 LEU 72 -4.378 0.680 -6.200 537 HD22 LEU 72 1HD2 LEU 72 -2.764 1.241 -6.634 538 HD23 LEU 72 2HD2 LEU 72 -4.172 1.848 -7.506 539 H VAL 73 H VAL 73 -7.699 0.529 -5.579 540 HA VAL 73 HA VAL 73 -9.625 1.509 -3.613 541 HB VAL 73 HB VAL 73 -11.552 0.891 -4.763 542 HG11 VAL 73 1HG1 VAL 73 -11.589 2.264 -6.628 543 HG12 VAL 73 2HG1 VAL 73 -10.190 2.871 -5.740 544 HG13 VAL 73 3HG1 VAL 73 -9.961 1.804 -7.126 545 HG21 VAL 73 3HG2 VAL 73 -11.378 -0.338 -7.007 546 HG22 VAL 73 1HG2 VAL 73 -9.729 -0.725 -6.515 547 HG23 VAL 73 2HG2 VAL 73 -11.092 -1.269 -5.536 548 H GLU 74 H GLU 74 -10.102 0.034 -2.087 549 HA GLU 74 HA GLU 74 -8.603 -2.294 -1.795 550 HB2 GLU 74 1HB GLU 74 -10.047 -0.907 -0.088 551 HB3 GLU 74 2HB GLU 74 -11.294 -2.074 -0.508 552 HG2 GLU 74 1HG GLU 74 -9.436 -3.824 0.013 553 HG3 GLU 74 2HG GLU 74 -8.709 -2.493 0.912 554 H LYS 75 H LYS 75 -8.660 -4.043 -3.030 555 HA LYS 75 HA LYS 75 -10.432 -4.796 -4.925 556 HB2 LYS 75 1HB LYS 75 -8.303 -5.954 -4.493 557 HB3 LYS 75 2HB LYS 75 -8.995 -6.687 -3.052 558 HG2 LYS 75 1HG LYS 75 -9.205 -8.383 -4.581 559 HG3 LYS 75 2HG LYS 75 -10.783 -7.603 -4.708 560 HD2 LYS 75 1HD LYS 75 -10.223 -6.553 -6.731 561 HD3 LYS 75 2HD LYS 75 -8.496 -6.838 -6.500 562 HE2 LYS 75 1HE LYS 75 -9.085 -8.419 -8.097 563 HE3 LYS 75 2HE LYS 75 -9.124 -9.337 -6.592 564 HZ1 LYS 75 3HZ LYS 75 -11.142 -9.150 -8.423 565 HZ2 LYS 75 1HZ LYS 75 -11.641 -8.121 -7.176 566 HZ3 LYS 75 2HZ LYS 75 -11.281 -9.740 -6.844 567 H SER 76 H SER 76 -12.575 -4.908 -4.807 568 HA SER 76 HA SER 76 -14.196 -5.137 -2.641 569 HB2 SER 76 1HB SER 76 -15.802 -6.369 -4.326 570 HB3 SER 76 2HB SER 76 -15.354 -4.685 -4.597 571 HG SER 76 HG SER 76 -13.713 -6.660 -5.689 572 HA PRO 77 HA PRO 77 -13.865 -9.174 -0.950 573 HB2 PRO 77 1HB PRO 77 -16.383 -9.535 -0.002 574 HB3 PRO 77 2HB PRO 77 -15.222 -8.435 0.750 575 HG2 PRO 77 1HG PRO 77 -17.467 -7.821 -1.133 576 HG3 PRO 77 2HG PRO 77 -16.969 -6.957 0.334 577 HD2 PRO 77 1HD PRO 77 -16.307 -6.110 -2.152 578 HD3 PRO 77 2HD PRO 77 -15.254 -5.858 -0.745 579 H ASN 78 H ASN 78 -16.610 -8.567 -3.098 580 HA ASN 78 HA ASN 78 -17.146 -11.337 -3.574 581 HB2 ASN 78 1HB ASN 78 -18.079 -8.769 -4.833 582 HB3 ASN 78 2HB ASN 78 -18.493 -10.327 -5.543 583 HD21 ASN 78 1HD2 ASN 78 -20.133 -11.459 -4.713 584 HD22 ASN 78 2HD2 ASN 78 -21.021 -11.020 -3.297 585 H ASN 79 H ASN 79 -16.201 -12.672 -4.973 586 HA ASN 79 HA ASN 79 -14.050 -11.683 -6.639 587 HB2 ASN 79 1HB ASN 79 -13.758 -14.144 -7.168 588 HB3 ASN 79 2HB ASN 79 -13.574 -13.706 -5.472 589 HD21 ASN 79 1HD2 ASN 79 -13.954 -16.053 -5.254 590 HD22 ASN 79 2HD2 ASN 79 -15.588 -16.599 -5.126 591 H LEU 80 H LEU 80 -14.725 -10.695 -8.455 592 HA LEU 80 HA LEU 80 -16.949 -11.773 -9.984 593 HB2 LEU 80 1HB LEU 80 -16.440 -9.285 -9.538 594 HB3 LEU 80 2HB LEU 80 -15.229 -9.459 -10.806 595 HG LEU 80 HG LEU 80 -17.084 -10.199 -12.335 596 HD11 LEU 80 1HD1 LEU 80 -19.363 -9.276 -11.507 597 HD12 LEU 80 2HD1 LEU 80 -18.673 -9.507 -9.901 598 HD13 LEU 80 3HD1 LEU 80 -18.837 -10.880 -10.995 599 HD21 LEU 80 3HD2 LEU 80 -16.725 -7.489 -11.196 600 HD22 LEU 80 1HD2 LEU 80 -18.121 -7.746 -12.242 601 HD23 LEU 80 2HD2 LEU 80 -16.496 -8.068 -12.846 602 H GLU 81 H GLU 81 -16.788 -12.324 -12.219 603 HA GLU 81 HA GLU 81 -14.394 -13.803 -12.823 604 HB2 GLU 81 1HB GLU 81 -16.645 -14.675 -13.361 605 HB3 GLU 81 2HB GLU 81 -16.868 -13.358 -14.504 606 HG2 GLU 81 1HG GLU 81 -15.065 -14.186 -15.874 607 HG3 GLU 81 2HG GLU 81 -14.713 -15.450 -14.697 608 H THR 82 H THR 82 -12.719 -12.423 -13.231 609 HA THR 82 HA THR 82 -13.043 -10.226 -15.097 610 HB THR 82 HB THR 82 -10.579 -9.876 -14.677 611 HG1 THR 82 1HG THR 82 -9.873 -11.063 -12.704 612 HG21 THR 82 3HG2 THR 82 -11.641 -9.888 -11.962 613 HG22 THR 82 1HG2 THR 82 -12.768 -9.211 -13.137 614 HG23 THR 82 2HG2 THR 82 -11.148 -8.532 -12.976 615 H TYR 83 H TYR 83 -11.709 -9.974 -16.988 616 HA TYR 83 HA TYR 83 -11.642 -12.314 -18.598 617 HB2 TYR 83 1HB TYR 83 -10.342 -9.649 -19.186 618 HB3 TYR 83 2HB TYR 83 -10.814 -10.881 -20.352 619 HD1 TYR 83 1HD TYR 83 -13.283 -11.378 -20.645 620 HD2 TYR 83 2HD TYR 83 -11.860 -7.986 -18.507 621 HE1 TYR 83 1HE TYR 83 -15.483 -10.307 -20.892 622 HE2 TYR 83 2HE TYR 83 -14.057 -6.906 -18.747 623 HH TYR 83 HH TYR 83 -16.021 -7.071 -20.367 624 H GLU 84 H GLU 84 -10.135 -13.832 -18.612 625 HA GLU 84 HA GLU 84 -7.388 -13.100 -17.838 626 HB2 GLU 84 1HB GLU 84 -7.111 -15.428 -17.089 627 HB3 GLU 84 2HB GLU 84 -8.402 -14.608 -16.222 628 HG2 GLU 84 1HG GLU 84 -9.423 -16.588 -16.650 629 HG3 GLU 84 2HG GLU 84 -9.896 -15.695 -18.094 630 H TRP 85 H TRP 85 -8.295 -12.782 -20.474 631 HA TRP 85 HA TRP 85 -7.633 -15.036 -22.087 632 HB2 TRP 85 1HB TRP 85 -8.057 -12.112 -22.670 633 HB3 TRP 85 2HB TRP 85 -7.549 -13.238 -23.926 634 HD1 TRP 85 HD TRP 85 -10.510 -12.635 -21.521 635 HE1 TRP 85 1HE TRP 85 -12.617 -13.676 -22.569 636 HE3 TRP 85 3HE TRP 85 -8.373 -14.867 -25.593 637 HZ2 TRP 85 2HZ TRP 85 -13.286 -15.237 -24.823 638 HZ3 TRP 85 3HZ TRP 85 -9.816 -16.116 -27.146 639 HH2 TRP 85 HH TRP 85 -12.221 -16.297 -26.767 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.970 -45.404 -28.823 2 HA2 GLY 1 1HA GLY 1 4.815 -45.617 -28.561 3 HA3 GLY 1 2HA GLY 1 4.347 -44.935 -30.112 4 H SER 2 H SER 2 4.111 -44.502 -26.618 5 HA SER 2 HA SER 2 3.840 -41.609 -27.086 6 HB2 SER 2 1HB SER 2 2.373 -43.309 -25.065 7 HB3 SER 2 2HB SER 2 2.478 -41.553 -24.944 8 HG SER 2 HG SER 2 0.864 -41.510 -26.272 9 H SER 3 H SER 3 4.479 -40.318 -25.124 10 HA SER 3 HA SER 3 7.077 -41.186 -24.268 11 HB2 SER 3 1HB SER 3 6.471 -38.803 -24.838 12 HB3 SER 3 2HB SER 3 5.557 -38.746 -23.331 13 HG SER 3 HG SER 3 8.195 -39.633 -23.200 14 H GLY 4 H GLY 4 3.995 -40.492 -22.634 15 HA2 GLY 4 1HA GLY 4 3.600 -42.373 -20.900 16 HA3 GLY 4 2HA GLY 4 5.070 -41.724 -20.190 17 H SER 5 H SER 5 4.506 -40.697 -18.387 18 HA SER 5 HA SER 5 2.024 -39.607 -17.792 19 HB2 SER 5 1HB SER 5 3.758 -40.096 -16.101 20 HB3 SER 5 2HB SER 5 4.710 -38.736 -16.696 21 HG SER 5 HG SER 5 2.052 -38.448 -15.769 22 H SER 6 H SER 6 1.383 -37.371 -17.516 23 HA SER 6 HA SER 6 2.313 -35.730 -19.750 24 HB2 SER 6 1HB SER 6 -0.196 -35.805 -18.108 25 HB3 SER 6 2HB SER 6 0.225 -34.340 -18.995 26 HG SER 6 HG SER 6 -0.972 -35.534 -20.387 27 H GLY 7 H GLY 7 1.655 -35.463 -16.266 28 HA2 GLY 7 1HA GLY 7 2.859 -34.248 -14.688 29 HA3 GLY 7 2HA GLY 7 3.833 -33.577 -15.988 30 H GLU 8 H GLU 8 0.327 -33.524 -15.372 31 HA GLU 8 HA GLU 8 0.158 -30.767 -16.124 32 HB2 GLU 8 1HB GLU 8 -1.841 -32.703 -14.960 33 HB3 GLU 8 2HB GLU 8 -2.240 -31.031 -15.330 34 HG2 GLU 8 1HG GLU 8 -1.776 -31.379 -17.660 35 HG3 GLU 8 2HG GLU 8 -1.198 -33.013 -17.338 36 H ASP 9 H ASP 9 -0.918 -29.140 -14.700 37 HA ASP 9 HA ASP 9 -0.695 -29.448 -11.858 38 HB2 ASP 9 1HB ASP 9 1.356 -27.850 -13.374 39 HB3 ASP 9 2HB ASP 9 0.948 -27.466 -11.704 40 H ASN 10 H ASN 10 -1.776 -27.846 -10.732 41 HA ASN 10 HA ASN 10 -3.593 -26.254 -12.303 42 HB2 ASN 10 1HB ASN 10 -4.745 -25.830 -10.277 43 HB3 ASN 10 2HB ASN 10 -4.173 -27.491 -10.148 44 HD21 ASN 10 1HD2 ASN 10 -2.652 -28.015 -8.635 45 HD22 ASN 10 2HD2 ASN 10 -2.124 -26.923 -7.405 46 H ARG 11 H ARG 11 -3.545 -24.105 -12.648 47 HA ARG 11 HA ARG 11 -1.150 -22.671 -12.349 48 HB2 ARG 11 1HB ARG 11 -3.048 -22.265 -14.011 49 HB3 ARG 11 2HB ARG 11 -3.860 -21.405 -12.709 50 HG2 ARG 11 1HG ARG 11 -2.060 -19.808 -12.579 51 HG3 ARG 11 2HG ARG 11 -1.135 -20.710 -13.782 52 HD2 ARG 11 1HD ARG 11 -3.881 -19.784 -14.474 53 HD3 ARG 11 2HD ARG 11 -2.567 -18.608 -14.457 54 HE ARG 11 HE ARG 11 -3.067 -20.533 -16.459 55 HH11 ARG 11 1HH1 ARG 11 -0.453 -19.055 -14.698 56 HH12 ARG 11 2HH1 ARG 11 0.702 -19.278 -15.970 57 HH21 ARG 11 1HH2 ARG 11 -1.556 -20.832 -18.141 58 HH22 ARG 11 2HH2 ARG 11 0.074 -20.287 -17.928 59 H ARG 12 H ARG 12 -0.387 -21.331 -10.812 60 HA ARG 12 HA ARG 12 -1.937 -21.121 -8.338 61 HB2 ARG 12 1HB ARG 12 0.991 -20.766 -8.960 62 HB3 ARG 12 2HB ARG 12 0.295 -20.308 -7.411 63 HG2 ARG 12 1HG ARG 12 -0.548 -22.693 -7.247 64 HG3 ARG 12 2HG ARG 12 0.508 -23.048 -8.615 65 HD2 ARG 12 1HD ARG 12 1.610 -21.634 -6.228 66 HD3 ARG 12 2HD ARG 12 1.356 -23.378 -6.164 67 HE ARG 12 HE ARG 12 2.777 -22.650 -8.506 68 HH11 ARG 12 1HH1 ARG 12 3.151 -23.057 -5.069 69 HH12 ARG 12 2HH1 ARG 12 4.843 -23.419 -5.164 70 HH21 ARG 12 1HH2 ARG 12 5.004 -23.126 -8.644 71 HH22 ARG 12 2HH2 ARG 12 5.896 -23.458 -7.198 72 HA PRO 13 HA PRO 13 -2.812 -16.849 -8.873 73 HB2 PRO 13 1HB PRO 13 -2.917 -16.051 -6.280 74 HB3 PRO 13 2HB PRO 13 -4.176 -17.038 -7.033 75 HG2 PRO 13 1HG PRO 13 -1.905 -17.882 -5.274 76 HG3 PRO 13 2HG PRO 13 -3.597 -18.411 -5.247 77 HD2 PRO 13 1HD PRO 13 -1.629 -19.882 -6.384 78 HD3 PRO 13 2HD PRO 13 -3.296 -19.884 -6.995 79 H LEU 14 H LEU 14 -2.054 -14.637 -8.057 80 HA LEU 14 HA LEU 14 0.882 -14.666 -7.944 81 HB2 LEU 14 1HB LEU 14 -1.101 -12.673 -8.991 82 HB3 LEU 14 2HB LEU 14 0.571 -12.225 -8.661 83 HG LEU 14 HG LEU 14 -0.179 -12.892 -11.074 84 HD11 LEU 14 1HD1 LEU 14 2.312 -13.403 -9.579 85 HD12 LEU 14 2HD1 LEU 14 2.027 -12.425 -11.018 86 HD13 LEU 14 3HD1 LEU 14 2.173 -14.177 -11.158 87 HD21 LEU 14 3HD2 LEU 14 0.520 -15.611 -9.994 88 HD22 LEU 14 1HD2 LEU 14 -0.052 -15.190 -11.608 89 HD23 LEU 14 2HD2 LEU 14 -1.143 -15.072 -10.228 90 H TRP 15 H TRP 15 -1.870 -12.749 -6.732 91 HA TRP 15 HA TRP 15 -0.238 -11.690 -4.581 92 HB2 TRP 15 1HB TRP 15 -3.200 -11.258 -4.847 93 HB3 TRP 15 2HB TRP 15 -1.982 -10.186 -4.160 94 HD1 TRP 15 HD TRP 15 -3.734 -11.010 -7.390 95 HE1 TRP 15 1HE TRP 15 -2.926 -9.412 -9.238 96 HE3 TRP 15 3HE TRP 15 0.203 -8.860 -4.938 97 HZ2 TRP 15 2HZ TRP 15 -0.888 -7.494 -9.608 98 HZ3 TRP 15 3HZ TRP 15 1.532 -7.153 -6.110 99 HH2 TRP 15 HH TRP 15 0.996 -6.485 -8.397 100 H GLU 16 H GLU 16 -1.651 -11.539 -2.397 101 HA GLU 16 HA GLU 16 -2.394 -14.315 -1.739 102 HB2 GLU 16 1HB GLU 16 -0.901 -12.252 -0.130 103 HB3 GLU 16 2HB GLU 16 -1.659 -13.649 0.623 104 HG2 GLU 16 1HG GLU 16 -0.242 -15.154 -0.500 105 HG3 GLU 16 2HG GLU 16 0.322 -13.910 -1.615 106 HA PRO 17 HA PRO 17 -6.322 -12.916 -0.369 107 HB2 PRO 17 1HB PRO 17 -6.813 -14.644 1.667 108 HB3 PRO 17 2HB PRO 17 -6.857 -15.125 -0.033 109 HG2 PRO 17 1HG PRO 17 -4.672 -15.484 1.982 110 HG3 PRO 17 2HG PRO 17 -5.280 -16.632 0.775 111 HD2 PRO 17 1HD PRO 17 -3.010 -15.201 0.411 112 HD3 PRO 17 2HD PRO 17 -4.070 -15.669 -0.934 113 H GLU 18 H GLU 18 -3.974 -13.501 2.238 114 HA GLU 18 HA GLU 18 -5.294 -11.883 4.156 115 HB2 GLU 18 1HB GLU 18 -3.617 -13.669 4.677 116 HB3 GLU 18 2HB GLU 18 -2.361 -12.603 4.062 117 HG2 GLU 18 1HG GLU 18 -3.341 -10.925 5.806 118 HG3 GLU 18 2HG GLU 18 -3.974 -12.390 6.555 119 H GLU 19 H GLU 19 -2.640 -11.279 1.892 120 HA GLU 19 HA GLU 19 -1.944 -8.715 2.743 121 HB2 GLU 19 1HB GLU 19 -1.857 -9.902 -0.036 122 HB3 GLU 19 2HB GLU 19 -1.068 -8.402 0.433 123 HG2 GLU 19 1HG GLU 19 -0.472 -10.904 1.938 124 HG3 GLU 19 2HG GLU 19 0.269 -10.635 0.361 125 H THR 20 H THR 20 -2.321 -6.674 1.505 126 HA THR 20 HA THR 20 -5.187 -6.423 0.917 127 HB THR 20 HB THR 20 -3.155 -4.324 1.693 128 HG1 THR 20 1HG THR 20 -3.951 -4.573 3.651 129 HG21 THR 20 3HG2 THR 20 -5.598 -4.031 0.262 130 HG22 THR 20 1HG2 THR 20 -4.519 -2.772 0.863 131 HG23 THR 20 2HG2 THR 20 -5.825 -3.376 1.884 132 H VAL 21 H VAL 21 -5.578 -6.632 -1.198 133 HA VAL 21 HA VAL 21 -3.704 -5.463 -3.127 134 HB VAL 21 HB VAL 21 -6.010 -7.364 -3.571 135 HG11 VAL 21 1HG1 VAL 21 -5.436 -5.747 -5.450 136 HG12 VAL 21 2HG1 VAL 21 -3.899 -6.605 -5.571 137 HG13 VAL 21 3HG1 VAL 21 -5.414 -7.466 -5.844 138 HG21 VAL 21 3HG2 VAL 21 -4.330 -8.597 -2.506 139 HG22 VAL 21 1HG2 VAL 21 -4.059 -8.893 -4.223 140 HG23 VAL 21 2HG2 VAL 21 -3.040 -7.745 -3.354 141 H VAL 22 H VAL 22 -4.237 -3.802 -4.441 142 HA VAL 22 HA VAL 22 -7.002 -2.793 -4.330 143 HB VAL 22 HB VAL 22 -5.928 -0.471 -4.563 144 HG11 VAL 22 1HG1 VAL 22 -5.727 -0.230 -2.134 145 HG12 VAL 22 2HG1 VAL 22 -7.129 -1.208 -2.573 146 HG13 VAL 22 3HG1 VAL 22 -5.665 -1.984 -1.966 147 HG21 VAL 22 3HG2 VAL 22 -3.575 -1.994 -3.444 148 HG22 VAL 22 1HG2 VAL 22 -3.657 -1.224 -5.028 149 HG23 VAL 22 2HG2 VAL 22 -3.702 -0.239 -3.566 150 H ILE 23 H ILE 23 -7.701 -1.594 -6.171 151 HA ILE 23 HA ILE 23 -6.095 -2.104 -8.591 152 HB ILE 23 HB ILE 23 -9.105 -1.967 -8.534 153 HG12 ILE 23 1HG1 ILE 23 -8.670 -4.567 -8.973 154 HG13 ILE 23 2HG1 ILE 23 -7.254 -4.235 -7.981 155 HG21 ILE 23 1HG2 ILE 23 -8.522 -1.626 -10.718 156 HG22 ILE 23 2HG2 ILE 23 -7.027 -2.550 -10.579 157 HG23 ILE 23 3HG2 ILE 23 -8.574 -3.388 -10.690 158 HD11 ILE 23 3HD1 ILE 23 -9.270 -5.074 -6.757 159 HD12 ILE 23 1HD1 ILE 23 -8.590 -3.565 -6.149 160 HD13 ILE 23 2HD1 ILE 23 -10.050 -3.539 -7.138 161 H ALA 24 H ALA 24 -6.284 -0.571 -10.306 162 HA ALA 24 HA ALA 24 -6.760 2.137 -9.322 163 HB1 ALA 24 3HB ALA 24 -5.471 2.896 -11.188 164 HB2 ALA 24 1HB ALA 24 -4.616 1.543 -10.447 165 HB3 ALA 24 2HB ALA 24 -5.524 1.301 -11.940 166 H LEU 25 H LEU 25 -8.323 3.465 -10.069 167 HA LEU 25 HA LEU 25 -10.417 2.292 -11.685 168 HB2 LEU 25 1HB LEU 25 -10.239 5.059 -10.503 169 HB3 LEU 25 2HB LEU 25 -11.681 4.287 -11.159 170 HG LEU 25 HG LEU 25 -10.261 3.066 -8.826 171 HD11 LEU 25 1HD1 LEU 25 -12.148 5.408 -8.761 172 HD12 LEU 25 2HD1 LEU 25 -10.526 5.302 -8.079 173 HD13 LEU 25 3HD1 LEU 25 -11.842 4.365 -7.372 174 HD21 LEU 25 3HD2 LEU 25 -12.178 2.005 -10.180 175 HD22 LEU 25 1HD2 LEU 25 -13.205 3.186 -9.366 176 HD23 LEU 25 2HD2 LEU 25 -12.293 2.010 -8.420 177 H TYR 26 H TYR 26 -7.824 4.567 -12.061 178 HA TYR 26 HA TYR 26 -8.456 4.779 -14.904 179 HB2 TYR 26 1HB TYR 26 -7.621 7.278 -13.482 180 HB3 TYR 26 2HB TYR 26 -8.485 7.097 -15.005 181 HD1 TYR 26 2HD TYR 26 -8.823 6.990 -11.335 182 HD2 TYR 26 1HD TYR 26 -10.869 6.959 -15.065 183 HE1 TYR 26 2HE TYR 26 -10.952 7.364 -10.163 184 HE2 TYR 26 1HE TYR 26 -13.005 7.333 -13.903 185 HH TYR 26 HH TYR 26 -14.018 7.210 -11.828 186 H ASP 27 H ASP 27 -6.625 5.669 -16.162 187 HA ASP 27 HA ASP 27 -4.144 4.538 -15.196 188 HB2 ASP 27 1HB ASP 27 -4.437 6.018 -17.794 189 HB3 ASP 27 2HB ASP 27 -3.373 4.671 -17.401 190 H TYR 28 H TYR 28 -3.355 5.857 -13.598 191 HA TYR 28 HA TYR 28 -3.195 8.705 -13.908 192 HB2 TYR 28 1HB TYR 28 -3.447 7.780 -11.686 193 HB3 TYR 28 2HB TYR 28 -1.976 6.831 -11.870 194 HD1 TYR 28 2HD TYR 28 -2.997 10.419 -12.202 195 HD2 TYR 28 1HD TYR 28 -0.139 7.626 -10.741 196 HE1 TYR 28 2HE TYR 28 -1.691 12.268 -11.241 197 HE2 TYR 28 1HE TYR 28 1.175 9.468 -9.775 198 HH TYR 28 HH TYR 28 1.451 11.715 -9.745 199 H GLN 29 H GLN 29 -1.638 9.848 -14.848 200 HA GLN 29 HA GLN 29 0.899 8.489 -15.479 201 HB2 GLN 29 1HB GLN 29 -0.845 10.301 -17.063 202 HB3 GLN 29 2HB GLN 29 0.892 10.471 -17.274 203 HG2 GLN 29 1HG GLN 29 1.107 8.216 -17.993 204 HG3 GLN 29 2HG GLN 29 -0.559 7.854 -17.545 205 HE21 GLN 29 1HE2 GLN 29 0.421 7.312 -20.061 206 HE22 GLN 29 2HE2 GLN 29 -0.347 8.350 -21.209 207 H THR 30 H THR 30 2.767 9.416 -14.862 208 HA THR 30 HA THR 30 2.732 12.193 -13.919 209 HB THR 30 HB THR 30 2.494 11.073 -11.859 210 HG1 THR 30 1HG THR 30 4.265 12.568 -11.905 211 HG21 THR 30 3HG2 THR 30 3.224 8.823 -13.021 212 HG22 THR 30 1HG2 THR 30 3.377 9.031 -11.276 213 HG23 THR 30 2HG2 THR 30 4.789 9.224 -12.314 214 H ASN 31 H ASN 31 4.750 13.248 -13.969 215 HA ASN 31 HA ASN 31 6.639 12.038 -15.840 216 HB2 ASN 31 1HB ASN 31 6.120 14.853 -14.921 217 HB3 ASN 31 2HB ASN 31 7.625 14.438 -15.737 218 HD21 ASN 31 1HD2 ASN 31 7.339 15.477 -17.622 219 HD22 ASN 31 2HD2 ASN 31 6.064 15.142 -18.739 220 H ASP 32 H ASP 32 6.381 13.080 -12.531 221 HA ASP 32 HA ASP 32 9.117 13.232 -11.893 222 HB2 ASP 32 1HB ASP 32 6.932 13.868 -10.533 223 HB3 ASP 32 2HB ASP 32 7.160 12.256 -9.861 224 HA PRO 33 HA PRO 33 10.373 9.012 -11.992 225 HB2 PRO 33 1HB PRO 33 12.549 9.193 -10.379 226 HB3 PRO 33 2HB PRO 33 12.525 9.816 -12.033 227 HG2 PRO 33 1HG PRO 33 12.165 11.285 -9.450 228 HG3 PRO 33 2HG PRO 33 13.106 11.750 -10.879 229 HD2 PRO 33 1HD PRO 33 10.649 12.762 -10.360 230 HD3 PRO 33 2HD PRO 33 11.246 12.506 -12.012 231 H GLN 34 H GLN 34 9.888 10.668 -8.927 232 HA GLN 34 HA GLN 34 9.970 8.315 -7.316 233 HB2 GLN 34 1HB GLN 34 9.236 11.169 -6.906 234 HB3 GLN 34 2HB GLN 34 8.618 9.998 -5.748 235 HG2 GLN 34 1HG GLN 34 11.498 10.542 -6.421 236 HG3 GLN 34 2HG GLN 34 10.662 10.913 -4.914 237 HE21 GLN 34 1HE2 GLN 34 13.027 9.199 -5.618 238 HE22 GLN 34 2HE2 GLN 34 12.683 7.670 -4.890 239 H GLU 35 H GLU 35 7.359 10.272 -8.704 240 HA GLU 35 HA GLU 35 5.257 8.715 -7.589 241 HB2 GLU 35 1HB GLU 35 5.294 10.624 -9.931 242 HB3 GLU 35 2HB GLU 35 3.834 9.903 -9.270 243 HG2 GLU 35 1HG GLU 35 4.053 11.066 -7.237 244 HG3 GLU 35 2HG GLU 35 5.715 11.533 -7.596 245 H LEU 36 H LEU 36 3.935 7.170 -8.563 246 HA LEU 36 HA LEU 36 5.159 5.803 -10.863 247 HB2 LEU 36 1HB LEU 36 5.145 4.429 -8.899 248 HB3 LEU 36 2HB LEU 36 3.436 4.761 -8.623 249 HG LEU 36 HG LEU 36 3.161 3.601 -10.966 250 HD11 LEU 36 1HD1 LEU 36 5.905 3.367 -10.644 251 HD12 LEU 36 2HD1 LEU 36 4.898 2.496 -11.801 252 HD13 LEU 36 3HD1 LEU 36 5.276 1.769 -10.239 253 HD21 LEU 36 3HD2 LEU 36 2.078 2.680 -9.107 254 HD22 LEU 36 1HD2 LEU 36 3.597 2.301 -8.296 255 HD23 LEU 36 2HD2 LEU 36 3.098 1.373 -9.711 256 H ALA 37 H ALA 37 3.887 5.111 -12.576 257 HA ALA 37 HA ALA 37 1.365 6.553 -12.873 258 HB1 ALA 37 3HB ALA 37 3.241 5.242 -14.807 259 HB2 ALA 37 1HB ALA 37 1.605 5.697 -15.282 260 HB3 ALA 37 2HB ALA 37 2.736 6.929 -14.720 261 H LEU 38 H LEU 38 -0.380 5.504 -12.169 262 HA LEU 38 HA LEU 38 -0.545 2.673 -11.956 263 HB2 LEU 38 1HB LEU 38 -2.511 4.913 -11.653 264 HB3 LEU 38 2HB LEU 38 -3.036 3.232 -11.589 265 HG LEU 38 HG LEU 38 -0.961 4.413 -9.748 266 HD11 LEU 38 1HD1 LEU 38 -2.818 5.576 -9.066 267 HD12 LEU 38 2HD1 LEU 38 -2.971 4.106 -8.104 268 HD13 LEU 38 3HD1 LEU 38 -3.934 4.306 -9.567 269 HD21 LEU 38 3HD2 LEU 38 -0.745 2.370 -8.880 270 HD22 LEU 38 1HD2 LEU 38 -1.550 1.786 -10.337 271 HD23 LEU 38 2HD2 LEU 38 -2.488 2.097 -8.876 272 H ARG 39 H ARG 39 -2.154 1.315 -13.014 273 HA ARG 39 HA ARG 39 -2.742 2.195 -15.764 274 HB2 ARG 39 1HB ARG 39 -0.945 0.582 -15.844 275 HB3 ARG 39 2HB ARG 39 -1.838 -0.525 -14.810 276 HG2 ARG 39 1HG ARG 39 -2.095 -1.411 -16.942 277 HG3 ARG 39 2HG ARG 39 -3.602 -0.535 -16.664 278 HD2 ARG 39 1HD ARG 39 -2.815 -0.065 -18.890 279 HD3 ARG 39 2HD ARG 39 -2.662 1.389 -17.904 280 HE ARG 39 HE ARG 39 -0.372 1.256 -18.101 281 HH11 ARG 39 1HH1 ARG 39 -1.835 -1.672 -19.287 282 HH12 ARG 39 2HH1 ARG 39 -0.370 -2.273 -19.991 283 HH21 ARG 39 1HH2 ARG 39 1.563 0.475 -19.023 284 HH22 ARG 39 2HH2 ARG 39 1.562 -1.052 -19.839 285 H ARG 40 H ARG 40 -4.771 1.884 -16.494 286 HA ARG 40 HA ARG 40 -6.858 1.350 -14.693 287 HB2 ARG 40 1HB ARG 40 -7.045 2.709 -16.785 288 HB3 ARG 40 2HB ARG 40 -6.986 1.214 -17.708 289 HG2 ARG 40 1HG ARG 40 -9.089 0.563 -17.054 290 HG3 ARG 40 2HG ARG 40 -9.043 1.526 -15.576 291 HD2 ARG 40 1HD ARG 40 -10.497 2.751 -16.874 292 HD3 ARG 40 2HD ARG 40 -8.960 3.542 -17.226 293 HE ARG 40 HE ARG 40 -9.101 1.708 -19.175 294 HH11 ARG 40 1HH1 ARG 40 -11.416 4.024 -17.993 295 HH12 ARG 40 2HH1 ARG 40 -12.200 4.218 -19.526 296 HH21 ARG 40 1HH2 ARG 40 -10.124 1.956 -21.199 297 HH22 ARG 40 2HH2 ARG 40 -11.465 3.041 -21.348 298 H ASN 41 H ASN 41 -7.700 -0.494 -13.982 299 HA ASN 41 HA ASN 41 -8.348 -2.681 -13.872 300 HB2 ASN 41 1HB ASN 41 -7.299 -3.312 -16.595 301 HB3 ASN 41 2HB ASN 41 -8.772 -3.867 -15.804 302 HD21 ASN 41 1HD2 ASN 41 -10.368 -2.044 -15.351 303 HD22 ASN 41 2HD2 ASN 41 -10.626 -0.928 -16.645 304 H GLU 42 H GLU 42 -6.103 -2.125 -12.627 305 HA GLU 42 HA GLU 42 -4.504 -4.527 -13.021 306 HB2 GLU 42 1HB GLU 42 -3.481 -1.736 -13.324 307 HB3 GLU 42 2HB GLU 42 -2.435 -2.942 -12.587 308 HG2 GLU 42 1HG GLU 42 -3.755 -3.341 -15.254 309 HG3 GLU 42 2HG GLU 42 -2.169 -2.596 -15.066 310 H GLU 43 H GLU 43 -3.819 -5.402 -11.143 311 HA GLU 43 HA GLU 43 -4.689 -4.127 -8.686 312 HB2 GLU 43 1HB GLU 43 -3.597 -6.861 -9.330 313 HB3 GLU 43 2HB GLU 43 -3.865 -6.325 -7.677 314 HG2 GLU 43 1HG GLU 43 -6.152 -6.320 -7.902 315 HG3 GLU 43 2HG GLU 43 -6.086 -6.138 -9.654 316 H TYR 44 H TYR 44 -3.318 -3.852 -6.847 317 HA TYR 44 HA TYR 44 -0.442 -3.926 -7.280 318 HB2 TYR 44 1HB TYR 44 -1.964 -1.377 -6.725 319 HB3 TYR 44 2HB TYR 44 -0.228 -1.540 -6.487 320 HD1 TYR 44 1HD TYR 44 -2.903 -1.713 -9.053 321 HD2 TYR 44 2HD TYR 44 1.263 -1.303 -8.293 322 HE1 TYR 44 1HE TYR 44 -2.533 -1.148 -11.418 323 HE2 TYR 44 2HE TYR 44 1.644 -0.735 -10.656 324 HH TYR 44 HH TYR 44 -0.904 -0.983 -13.039 325 H CYS 45 H CYS 45 0.586 -4.531 -5.485 326 HA CYS 45 HA CYS 45 -0.892 -5.049 -3.093 327 HB2 CYS 45 1HB CYS 45 0.899 -6.549 -3.808 328 HB3 CYS 45 2HB CYS 45 2.073 -5.247 -3.661 329 HG CYS 45 HG CYS 45 2.583 -5.545 -1.154 330 H LEU 46 H LEU 46 -1.233 -3.723 -1.445 331 HA LEU 46 HA LEU 46 -0.091 -1.103 -1.389 332 HB2 LEU 46 1HB LEU 46 -2.386 -1.543 -0.668 333 HB3 LEU 46 2HB LEU 46 -1.781 -2.542 0.652 334 HG LEU 46 HG LEU 46 -0.713 -0.533 1.629 335 HD11 LEU 46 1HD1 LEU 46 -2.074 1.566 0.465 336 HD12 LEU 46 2HD1 LEU 46 -1.535 0.604 -0.910 337 HD13 LEU 46 3HD1 LEU 46 -0.361 1.191 0.268 338 HD21 LEU 46 3HD2 LEU 46 -2.591 0.010 2.763 339 HD22 LEU 46 1HD2 LEU 46 -3.255 -1.359 1.871 340 HD23 LEU 46 2HD2 LEU 46 -3.531 0.286 1.296 341 H LEU 47 H LEU 47 2.040 -1.006 -0.942 342 HA LEU 47 HA LEU 47 3.385 -2.709 0.874 343 HB2 LEU 47 1HB LEU 47 4.164 -0.020 -0.242 344 HB3 LEU 47 2HB LEU 47 5.242 -1.077 0.666 345 HG LEU 47 HG LEU 47 3.961 -1.841 -1.953 346 HD11 LEU 47 1HD1 LEU 47 6.499 -1.522 -2.630 347 HD12 LEU 47 2HD1 LEU 47 6.436 -0.323 -1.340 348 HD13 LEU 47 3HD1 LEU 47 5.338 -0.197 -2.714 349 HD21 LEU 47 3HD2 LEU 47 4.844 -3.562 -0.210 350 HD22 LEU 47 1HD2 LEU 47 6.431 -3.037 -0.772 351 HD23 LEU 47 2HD2 LEU 47 5.279 -3.734 -1.911 352 H ASP 48 H ASP 48 2.911 0.815 1.161 353 HA ASP 48 HA ASP 48 2.198 0.479 3.971 354 HB2 ASP 48 1HB ASP 48 4.699 0.789 3.810 355 HB3 ASP 48 2HB ASP 48 4.387 2.390 3.144 356 H SER 49 H SER 49 0.980 2.165 4.824 357 HA SER 49 HA SER 49 0.005 4.098 2.828 358 HB2 SER 49 1HB SER 49 -2.063 4.193 4.224 359 HB3 SER 49 2HB SER 49 -1.747 2.591 3.557 360 HG SER 49 HG SER 49 -0.725 3.199 6.087 361 H SER 50 H SER 50 2.370 4.570 4.330 362 HA SER 50 HA SER 50 2.330 5.922 6.649 363 HB2 SER 50 1HB SER 50 4.332 5.665 5.196 364 HB3 SER 50 2HB SER 50 3.719 6.957 4.165 365 HG SER 50 HG SER 50 3.972 7.446 6.908 366 H GLU 51 H GLU 51 1.221 7.212 3.548 367 HA GLU 51 HA GLU 51 0.139 9.552 4.969 368 HB2 GLU 51 1HB GLU 51 1.175 9.148 2.200 369 HB3 GLU 51 2HB GLU 51 -0.092 10.341 2.450 370 HG2 GLU 51 1HG GLU 51 2.531 10.299 3.923 371 HG3 GLU 51 2HG GLU 51 2.187 11.287 2.505 372 H ILE 52 H ILE 52 -1.813 10.456 3.485 373 HA ILE 52 HA ILE 52 -3.738 8.234 3.377 374 HB ILE 52 HB ILE 52 -4.249 11.189 3.738 375 HG12 ILE 52 1HG1 ILE 52 -4.594 8.904 5.691 376 HG13 ILE 52 2HG1 ILE 52 -3.233 10.020 5.694 377 HG21 ILE 52 1HG2 ILE 52 -6.181 10.522 2.715 378 HG22 ILE 52 2HG2 ILE 52 -6.043 8.861 3.289 379 HG23 ILE 52 3HG2 ILE 52 -6.574 10.132 4.390 380 HD11 ILE 52 3HD1 ILE 52 -5.294 11.756 5.778 381 HD12 ILE 52 1HD1 ILE 52 -5.982 10.385 6.648 382 HD13 ILE 52 2HD1 ILE 52 -4.474 11.115 7.201 383 H HIS 53 H HIS 53 -2.844 11.248 1.716 384 HA HIS 53 HA HIS 53 -4.528 10.707 -0.540 385 HB2 HIS 53 1HB HIS 53 -2.231 12.644 -0.581 386 HB3 HIS 53 2HB HIS 53 -3.780 12.748 -1.413 387 HD1 HIS 53 1HD HIS 53 -5.861 13.421 0.079 388 HD2 HIS 53 2HD HIS 53 -2.154 13.797 1.917 389 HE1 HIS 53 1HE HIS 53 -6.258 14.858 2.104 390 HE2 HIS 53 2HE HIS 53 -3.985 15.142 3.153 391 H TRP 54 H TRP 54 -1.055 10.486 0.120 392 HA TRP 54 HA TRP 54 -0.712 9.080 -2.441 393 HB2 TRP 54 1HB TRP 54 1.474 10.237 -0.708 394 HB3 TRP 54 2HB TRP 54 1.604 9.684 -2.375 395 HD1 TRP 54 HD TRP 54 0.938 12.737 -0.343 396 HE1 TRP 54 1HE TRP 54 0.329 14.707 -1.883 397 HE3 TRP 54 3HE TRP 54 0.241 10.169 -4.709 398 HZ2 TRP 54 2HZ TRP 54 -0.357 15.118 -4.590 399 HZ3 TRP 54 3HZ TRP 54 -0.391 11.425 -6.728 400 HH2 TRP 54 HH TRP 54 -0.684 13.848 -6.668 401 H TRP 55 H TRP 55 -0.418 6.957 -2.400 402 HA TRP 55 HA TRP 55 0.495 5.721 0.116 403 HB2 TRP 55 1HB TRP 55 -1.575 4.886 -1.879 404 HB3 TRP 55 2HB TRP 55 -0.715 3.650 -0.967 405 HD1 TRP 55 HD TRP 55 -0.932 6.383 1.364 406 HE1 TRP 55 1HE TRP 55 -2.965 6.158 2.928 407 HE3 TRP 55 3HE TRP 55 -3.565 2.851 -1.230 408 HZ2 TRP 55 2HZ TRP 55 -5.365 4.679 3.046 409 HZ3 TRP 55 3HZ TRP 55 -5.720 2.084 -0.323 410 HH2 TRP 55 HH TRP 55 -6.599 2.980 1.771 411 H ARG 56 H ARG 56 1.809 3.813 -0.063 412 HA ARG 56 HA ARG 56 3.498 3.875 -2.461 413 HB2 ARG 56 1HB ARG 56 4.404 4.170 -0.053 414 HB3 ARG 56 2HB ARG 56 4.174 2.432 0.086 415 HG2 ARG 56 1HG ARG 56 5.670 2.076 -1.809 416 HG3 ARG 56 2HG ARG 56 5.894 3.820 -1.959 417 HD2 ARG 56 1HD ARG 56 6.909 3.916 0.232 418 HD3 ARG 56 2HD ARG 56 6.581 2.203 0.491 419 HE ARG 56 HE ARG 56 8.192 2.738 -1.829 420 HH11 ARG 56 1HH1 ARG 56 8.209 2.188 1.608 421 HH12 ARG 56 2HH1 ARG 56 9.848 1.627 1.642 422 HH21 ARG 56 1HH2 ARG 56 10.350 2.000 -1.798 423 HH22 ARG 56 2HH2 ARG 56 11.065 1.521 -0.296 424 H VAL 57 H VAL 57 3.141 2.368 -3.940 425 HA VAL 57 HA VAL 57 2.438 -0.347 -3.056 426 HB VAL 57 HB VAL 57 0.840 -0.616 -4.834 427 HG11 VAL 57 1HG1 VAL 57 -0.498 0.119 -3.188 428 HG12 VAL 57 2HG1 VAL 57 0.533 1.507 -2.835 429 HG13 VAL 57 3HG1 VAL 57 -0.620 1.580 -4.168 430 HG21 VAL 57 3HG2 VAL 57 2.179 1.619 -5.961 431 HG22 VAL 57 1HG2 VAL 57 0.935 0.600 -6.688 432 HG23 VAL 57 2HG2 VAL 57 0.476 2.039 -5.777 433 H GLN 58 H GLN 58 2.738 -1.960 -4.870 434 HA GLN 58 HA GLN 58 4.960 -1.181 -6.632 435 HB2 GLN 58 1HB GLN 58 5.990 -2.366 -4.830 436 HB3 GLN 58 2HB GLN 58 4.764 -3.626 -4.876 437 HG2 GLN 58 1HG GLN 58 5.591 -4.467 -6.940 438 HG3 GLN 58 2HG GLN 58 6.667 -3.085 -7.138 439 HE21 GLN 58 1HE2 GLN 58 8.115 -2.796 -5.081 440 HE22 GLN 58 2HE2 GLN 58 8.933 -4.232 -4.579 441 H ASP 59 H ASP 59 4.956 -2.052 -8.661 442 HA ASP 59 HA ASP 59 2.471 -3.224 -9.547 443 HB2 ASP 59 1HB ASP 59 3.487 -1.526 -10.938 444 HB3 ASP 59 2HB ASP 59 4.983 -2.450 -11.041 445 H ARG 60 H ARG 60 2.551 -5.095 -11.111 446 HA ARG 60 HA ARG 60 3.493 -7.385 -9.822 447 HB2 ARG 60 1HB ARG 60 1.658 -7.553 -11.356 448 HB3 ARG 60 2HB ARG 60 2.637 -6.937 -12.681 449 HG2 ARG 60 1HG ARG 60 3.829 -8.926 -12.888 450 HG3 ARG 60 2HG ARG 60 3.357 -9.483 -11.282 451 HD2 ARG 60 1HD ARG 60 1.153 -9.951 -11.986 452 HD3 ARG 60 2HD ARG 60 1.364 -9.058 -13.491 453 HE ARG 60 HE ARG 60 2.118 -11.778 -12.972 454 HH11 ARG 60 1HH1 ARG 60 2.774 -8.956 -14.902 455 HH12 ARG 60 2HH1 ARG 60 3.460 -9.853 -16.215 456 HH21 ARG 60 1HH2 ARG 60 3.019 -12.971 -14.695 457 HH22 ARG 60 2HH2 ARG 60 3.598 -12.137 -16.097 458 H ASN 61 H ASN 61 4.911 -5.441 -12.393 459 HA ASN 61 HA ASN 61 7.051 -7.239 -12.953 460 HB2 ASN 61 1HB ASN 61 6.773 -4.280 -13.530 461 HB3 ASN 61 2HB ASN 61 8.022 -5.328 -14.197 462 HD21 ASN 61 1HD2 ASN 61 7.461 -6.878 -15.734 463 HD22 ASN 61 2HD2 ASN 61 5.974 -6.796 -16.609 464 H GLY 62 H GLY 62 6.838 -4.200 -11.106 465 HA2 GLY 62 1HA GLY 62 8.167 -4.618 -8.892 466 HA3 GLY 62 2HA GLY 62 9.513 -4.708 -10.019 467 H HIS 63 H HIS 63 6.774 -2.546 -10.394 468 HA HIS 63 HA HIS 63 8.610 -0.280 -9.987 469 HB2 HIS 63 1HB HIS 63 6.029 -0.104 -11.518 470 HB3 HIS 63 2HB HIS 63 7.445 0.938 -11.621 471 HD1 HIS 63 1HD HIS 63 6.136 -0.428 -14.108 472 HD2 HIS 63 2HD HIS 63 9.433 -1.879 -12.036 473 HE1 HIS 63 1HE HIS 63 7.362 -1.899 -15.739 474 HE2 HIS 63 2HE HIS 63 9.305 -2.833 -14.437 475 H GLU 64 H GLU 64 8.281 0.892 -8.226 476 HA GLU 64 HA GLU 64 5.548 1.067 -7.141 477 HB2 GLU 64 1HB GLU 64 6.666 1.266 -4.874 478 HB3 GLU 64 2HB GLU 64 6.711 -0.325 -5.621 479 HG2 GLU 64 1HG GLU 64 8.859 -0.134 -4.873 480 HG3 GLU 64 2HG GLU 64 9.025 0.479 -6.517 481 H GLY 65 H GLY 65 5.324 2.981 -5.604 482 HA2 GLY 65 1HA GLY 65 6.955 5.182 -5.512 483 HA3 GLY 65 2HA GLY 65 6.093 5.342 -7.035 484 H TYR 66 H TYR 66 5.437 7.364 -5.803 485 HA TYR 66 HA TYR 66 3.327 6.903 -3.844 486 HB2 TYR 66 1HB TYR 66 4.669 9.410 -4.858 487 HB3 TYR 66 2HB TYR 66 3.298 9.436 -3.754 488 HD1 TYR 66 1HD TYR 66 3.824 7.371 -1.841 489 HD2 TYR 66 2HD TYR 66 6.578 10.020 -3.713 490 HE1 TYR 66 1HE TYR 66 5.353 7.123 0.070 491 HE2 TYR 66 2HE TYR 66 8.115 9.778 -1.808 492 HH TYR 66 HH TYR 66 8.504 7.900 0.016 493 H VAL 67 H VAL 67 1.343 6.529 -4.554 494 HA VAL 67 HA VAL 67 0.403 7.990 -6.937 495 HB VAL 67 HB VAL 67 -1.182 6.002 -7.238 496 HG11 VAL 67 1HG1 VAL 67 0.498 6.342 -8.854 497 HG12 VAL 67 2HG1 VAL 67 1.778 5.845 -7.745 498 HG13 VAL 67 3HG1 VAL 67 0.642 4.651 -8.376 499 HG21 VAL 67 3HG2 VAL 67 -0.790 4.970 -5.055 500 HG22 VAL 67 1HG2 VAL 67 -0.393 3.861 -6.367 501 HG23 VAL 67 2HG2 VAL 67 0.895 4.684 -5.489 502 HA PRO 68 HA PRO 68 -2.928 9.533 -4.528 503 HB2 PRO 68 1HB PRO 68 -4.891 9.698 -6.397 504 HB3 PRO 68 2HB PRO 68 -3.506 10.796 -6.358 505 HG2 PRO 68 1HG PRO 68 -3.953 8.371 -8.056 506 HG3 PRO 68 2HG PRO 68 -3.294 9.952 -8.515 507 HD2 PRO 68 1HD PRO 68 -1.721 7.799 -8.040 508 HD3 PRO 68 2HD PRO 68 -1.200 9.459 -7.687 509 H SER 69 H SER 69 -3.661 8.123 -3.024 510 HA SER 69 HA SER 69 -4.574 5.587 -3.237 511 HB2 SER 69 1HB SER 69 -5.852 5.938 -1.189 512 HB3 SER 69 2HB SER 69 -4.326 6.817 -1.097 513 HG SER 69 HG SER 69 -5.412 8.715 -1.511 514 H SER 70 H SER 70 -6.474 8.513 -3.813 515 HA SER 70 HA SER 70 -9.009 7.614 -4.050 516 HB2 SER 70 1HB SER 70 -7.613 9.456 -6.007 517 HB3 SER 70 2HB SER 70 -9.360 9.299 -5.830 518 HG SER 70 HG SER 70 -7.719 10.850 -4.454 519 H TYR 71 H TYR 71 -6.579 7.412 -6.645 520 HA TYR 71 HA TYR 71 -8.171 6.074 -8.512 521 HB2 TYR 71 1HB TYR 71 -5.204 6.254 -8.085 522 HB3 TYR 71 2HB TYR 71 -5.862 5.218 -9.347 523 HD1 TYR 71 1HD TYR 71 -6.579 8.681 -8.115 524 HD2 TYR 71 2HD TYR 71 -5.724 6.165 -11.437 525 HE1 TYR 71 1HE TYR 71 -6.735 10.622 -9.617 526 HE2 TYR 71 2HE TYR 71 -5.877 8.100 -12.949 527 HH TYR 71 HH TYR 71 -7.292 10.922 -12.184 528 H LEU 72 H LEU 72 -6.179 4.852 -5.876 529 HA LEU 72 HA LEU 72 -6.541 2.095 -6.586 530 HB2 LEU 72 1HB LEU 72 -5.474 3.466 -4.131 531 HB3 LEU 72 2HB LEU 72 -5.593 1.713 -4.272 532 HG LEU 72 HG LEU 72 -3.905 3.531 -5.991 533 HD11 LEU 72 1HD1 LEU 72 -2.591 1.429 -4.477 534 HD12 LEU 72 2HD1 LEU 72 -3.412 2.599 -3.444 535 HD13 LEU 72 3HD1 LEU 72 -2.204 3.145 -4.607 536 HD21 LEU 72 3HD2 LEU 72 -2.978 1.187 -6.650 537 HD22 LEU 72 1HD2 LEU 72 -4.427 1.813 -7.437 538 HD23 LEU 72 2HD2 LEU 72 -4.570 0.623 -6.143 539 H VAL 73 H VAL 73 -7.911 0.596 -5.691 540 HA VAL 73 HA VAL 73 -9.858 1.525 -3.702 541 HB VAL 73 HB VAL 73 -11.739 0.858 -4.897 542 HG11 VAL 73 1HG1 VAL 73 -10.097 2.741 -5.988 543 HG12 VAL 73 2HG1 VAL 73 -10.407 1.687 -7.369 544 HG13 VAL 73 3HG1 VAL 73 -11.754 2.425 -6.501 545 HG21 VAL 73 3HG2 VAL 73 -11.648 -0.475 -6.977 546 HG22 VAL 73 1HG2 VAL 73 -9.901 -0.616 -6.780 547 HG23 VAL 73 2HG2 VAL 73 -10.984 -1.332 -5.586 548 H GLU 74 H GLU 74 -10.555 -0.018 -2.278 549 HA GLU 74 HA GLU 74 -8.945 -2.314 -1.924 550 HB2 GLU 74 1HB GLU 74 -10.332 -0.936 -0.198 551 HB3 GLU 74 2HB GLU 74 -11.642 -2.020 -0.645 552 HG2 GLU 74 1HG GLU 74 -9.833 -3.866 -0.163 553 HG3 GLU 74 2HG GLU 74 -9.124 -2.587 0.823 554 H LYS 75 H LYS 75 -8.998 -3.995 -3.264 555 HA LYS 75 HA LYS 75 -10.893 -4.736 -5.069 556 HB2 LYS 75 1HB LYS 75 -8.664 -5.771 -4.897 557 HB3 LYS 75 2HB LYS 75 -9.176 -6.625 -3.447 558 HG2 LYS 75 1HG LYS 75 -10.474 -8.107 -4.607 559 HG3 LYS 75 2HG LYS 75 -10.755 -6.986 -5.941 560 HD2 LYS 75 1HD LYS 75 -9.295 -8.427 -6.950 561 HD3 LYS 75 2HD LYS 75 -8.145 -7.277 -6.262 562 HE2 LYS 75 1HE LYS 75 -7.456 -8.735 -4.633 563 HE3 LYS 75 2HE LYS 75 -8.992 -9.599 -4.605 564 HZ1 LYS 75 3HZ LYS 75 -7.271 -9.756 -6.987 565 HZ2 LYS 75 1HZ LYS 75 -8.414 -10.865 -6.419 566 HZ3 LYS 75 2HZ LYS 75 -6.922 -10.715 -5.638 567 H SER 76 H SER 76 -12.971 -5.215 -4.887 568 HA SER 76 HA SER 76 -14.504 -5.473 -2.697 569 HB2 SER 76 1HB SER 76 -15.775 -5.485 -4.617 570 HB3 SER 76 2HB SER 76 -14.733 -6.654 -5.428 571 HG SER 76 HG SER 76 -16.968 -7.071 -3.948 572 HA PRO 77 HA PRO 77 -13.438 -9.134 -0.511 573 HB2 PRO 77 1HB PRO 77 -15.801 -9.638 0.727 574 HB3 PRO 77 2HB PRO 77 -14.730 -8.315 1.204 575 HG2 PRO 77 1HG PRO 77 -17.186 -8.242 -0.507 576 HG3 PRO 77 2HG PRO 77 -16.680 -7.124 0.773 577 HD2 PRO 77 1HD PRO 77 -16.344 -6.576 -1.857 578 HD3 PRO 77 2HD PRO 77 -15.216 -6.004 -0.611 579 H ASN 78 H ASN 78 -15.548 -9.097 -3.108 580 HA ASN 78 HA ASN 78 -16.904 -11.473 -3.116 581 HB2 ASN 78 1HB ASN 78 -16.638 -9.593 -4.945 582 HB3 ASN 78 2HB ASN 78 -15.426 -10.692 -5.598 583 HD21 ASN 78 1HD2 ASN 78 -18.797 -10.466 -4.604 584 HD22 ASN 78 2HD2 ASN 78 -19.385 -11.678 -5.685 585 H ASN 79 H ASN 79 -16.466 -13.601 -3.629 586 HA ASN 79 HA ASN 79 -13.732 -14.441 -3.162 587 HB2 ASN 79 1HB ASN 79 -16.253 -16.062 -3.590 588 HB3 ASN 79 2HB ASN 79 -14.688 -16.721 -3.122 589 HD21 ASN 79 1HD2 ASN 79 -15.982 -17.552 -1.318 590 HD22 ASN 79 2HD2 ASN 79 -16.203 -16.545 0.068 591 H LEU 80 H LEU 80 -12.441 -15.579 -4.582 592 HA LEU 80 HA LEU 80 -13.395 -15.748 -7.364 593 HB2 LEU 80 1HB LEU 80 -10.844 -15.383 -7.848 594 HB3 LEU 80 2HB LEU 80 -11.929 -14.018 -7.594 595 HG LEU 80 HG LEU 80 -11.143 -14.001 -5.191 596 HD11 LEU 80 1HD1 LEU 80 -8.738 -15.495 -6.108 597 HD12 LEU 80 2HD1 LEU 80 -10.152 -16.402 -5.573 598 HD13 LEU 80 3HD1 LEU 80 -9.371 -15.261 -4.478 599 HD21 LEU 80 3HD2 LEU 80 -9.620 -12.435 -5.739 600 HD22 LEU 80 1HD2 LEU 80 -10.203 -12.729 -7.377 601 HD23 LEU 80 2HD2 LEU 80 -8.732 -13.519 -6.810 602 H GLU 81 H GLU 81 -12.765 -17.586 -4.866 603 HA GLU 81 HA GLU 81 -10.792 -19.410 -5.764 604 HB2 GLU 81 1HB GLU 81 -11.732 -19.115 -3.394 605 HB3 GLU 81 2HB GLU 81 -13.074 -20.116 -3.931 606 HG2 GLU 81 1HG GLU 81 -11.560 -21.550 -2.837 607 HG3 GLU 81 2HG GLU 81 -11.385 -21.862 -4.563 608 H THR 82 H THR 82 -11.158 -20.066 -7.852 609 HA THR 82 HA THR 82 -13.690 -21.449 -8.414 610 HB THR 82 HB THR 82 -13.045 -21.293 -10.800 611 HG1 THR 82 1HG THR 82 -10.742 -21.154 -10.397 612 HG21 THR 82 3HG2 THR 82 -12.776 -18.513 -9.769 613 HG22 THR 82 1HG2 THR 82 -14.231 -19.420 -9.357 614 HG23 THR 82 2HG2 THR 82 -13.811 -19.146 -11.048 615 H TYR 83 H TYR 83 -13.407 -23.327 -10.018 616 HA TYR 83 HA TYR 83 -12.690 -25.452 -10.394 617 HB2 TYR 83 1HB TYR 83 -10.126 -23.965 -9.996 618 HB3 TYR 83 2HB TYR 83 -10.083 -25.721 -10.102 619 HD1 TYR 83 1HD TYR 83 -10.746 -26.857 -12.179 620 HD2 TYR 83 2HD TYR 83 -10.600 -22.613 -11.926 621 HE1 TYR 83 1HE TYR 83 -10.793 -26.715 -14.634 622 HE2 TYR 83 2HE TYR 83 -10.649 -22.459 -14.380 623 HH TYR 83 HH TYR 83 -11.659 -24.546 -16.335 624 H GLU 84 H GLU 84 -13.803 -25.047 -7.930 625 HA GLU 84 HA GLU 84 -12.078 -26.507 -6.053 626 HB2 GLU 84 1HB GLU 84 -13.050 -24.347 -5.292 627 HB3 GLU 84 2HB GLU 84 -14.656 -25.033 -5.495 628 HG2 GLU 84 1HG GLU 84 -14.272 -26.632 -3.768 629 HG3 GLU 84 2HG GLU 84 -12.570 -26.185 -3.662 630 H TRP 85 H TRP 85 -12.367 -28.583 -6.884 631 HA TRP 85 HA TRP 85 -15.100 -29.647 -6.889 632 HB2 TRP 85 1HB TRP 85 -12.514 -30.672 -8.060 633 HB3 TRP 85 2HB TRP 85 -13.973 -31.655 -7.976 634 HD1 TRP 85 HD TRP 85 -12.237 -29.311 -10.209 635 HE1 TRP 85 1HE TRP 85 -13.786 -28.543 -12.116 636 HE3 TRP 85 3HE TRP 85 -16.704 -30.945 -8.334 637 HZ2 TRP 85 2HZ TRP 85 -16.538 -28.619 -12.742 638 HZ3 TRP 85 3HZ TRP 85 -18.747 -30.558 -9.649 639 HH2 TRP 85 HH TRP 85 -18.664 -29.418 -11.806 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -22.568 -31.173 -18.031 2 HA2 GLY 1 1HA GLY 1 -23.120 -30.656 -15.708 3 HA3 GLY 1 2HA GLY 1 -23.848 -32.252 -15.598 4 H SER 2 H SER 2 -21.682 -30.932 -14.030 5 HA SER 2 HA SER 2 -19.825 -33.175 -14.115 6 HB2 SER 2 1HB SER 2 -18.887 -30.299 -14.258 7 HB3 SER 2 2HB SER 2 -17.846 -31.710 -14.069 8 HG SER 2 HG SER 2 -19.082 -32.369 -16.130 9 H SER 3 H SER 3 -18.661 -33.485 -12.167 10 HA SER 3 HA SER 3 -19.207 -31.731 -9.921 11 HB2 SER 3 1HB SER 3 -20.344 -34.503 -10.164 12 HB3 SER 3 2HB SER 3 -19.956 -33.833 -8.579 13 HG SER 3 HG SER 3 -22.052 -33.294 -10.214 14 H GLY 4 H GLY 4 -17.596 -31.753 -8.444 15 HA2 GLY 4 1HA GLY 4 -15.340 -33.538 -8.998 16 HA3 GLY 4 2HA GLY 4 -15.282 -32.060 -8.049 17 H SER 5 H SER 5 -15.139 -35.344 -7.869 18 HA SER 5 HA SER 5 -16.618 -35.932 -5.545 19 HB2 SER 5 1HB SER 5 -15.156 -37.936 -5.383 20 HB3 SER 5 2HB SER 5 -15.809 -37.705 -7.004 21 HG SER 5 HG SER 5 -13.837 -36.929 -7.674 22 H SER 6 H SER 6 -13.185 -35.113 -5.984 23 HA SER 6 HA SER 6 -12.765 -34.988 -3.121 24 HB2 SER 6 1HB SER 6 -11.032 -35.839 -4.749 25 HB3 SER 6 2HB SER 6 -10.841 -34.178 -5.309 26 HG SER 6 HG SER 6 -10.554 -34.940 -2.596 27 H GLY 7 H GLY 7 -14.727 -33.209 -3.824 28 HA2 GLY 7 1HA GLY 7 -14.937 -31.031 -2.754 29 HA3 GLY 7 2HA GLY 7 -13.356 -30.628 -3.406 30 H GLU 8 H GLU 8 -16.674 -30.364 -3.845 31 HA GLU 8 HA GLU 8 -17.059 -30.354 -6.577 32 HB2 GLU 8 1HB GLU 8 -18.294 -28.805 -4.333 33 HB3 GLU 8 2HB GLU 8 -18.729 -28.418 -5.991 34 HG2 GLU 8 1HG GLU 8 -19.024 -31.103 -4.665 35 HG3 GLU 8 2HG GLU 8 -20.321 -29.957 -5.000 36 H ASP 9 H ASP 9 -15.931 -27.683 -4.526 37 HA ASP 9 HA ASP 9 -14.470 -26.570 -6.765 38 HB2 ASP 9 1HB ASP 9 -16.408 -24.762 -5.333 39 HB3 ASP 9 2HB ASP 9 -15.517 -24.452 -6.820 40 H ASN 10 H ASN 10 -12.941 -24.943 -6.132 41 HA ASN 10 HA ASN 10 -12.387 -24.941 -3.237 42 HB2 ASN 10 1HB ASN 10 -10.513 -25.174 -5.584 43 HB3 ASN 10 2HB ASN 10 -9.947 -24.640 -4.004 44 HD21 ASN 10 1HD2 ASN 10 -8.693 -26.361 -3.515 45 HD22 ASN 10 2HD2 ASN 10 -9.299 -27.962 -3.278 46 H ARG 11 H ARG 11 -10.854 -23.083 -2.637 47 HA ARG 11 HA ARG 11 -11.480 -20.664 -4.181 48 HB2 ARG 11 1HB ARG 11 -12.031 -21.202 -1.288 49 HB3 ARG 11 2HB ARG 11 -11.631 -19.567 -1.798 50 HG2 ARG 11 1HG ARG 11 -13.506 -19.994 -3.577 51 HG3 ARG 11 2HG ARG 11 -14.031 -21.213 -2.414 52 HD2 ARG 11 1HD ARG 11 -14.348 -19.601 -0.719 53 HD3 ARG 11 2HD ARG 11 -13.467 -18.370 -1.622 54 HE ARG 11 HE ARG 11 -15.665 -19.137 -3.153 55 HH11 ARG 11 1HH1 ARG 11 -15.000 -17.558 -0.122 56 HH12 ARG 11 2HH1 ARG 11 -16.441 -16.596 -0.159 57 HH21 ARG 11 1HH2 ARG 11 -17.564 -17.876 -3.212 58 HH22 ARG 11 2HH2 ARG 11 -17.899 -16.778 -1.916 59 H ARG 12 H ARG 12 -9.691 -19.594 -4.675 60 HA ARG 12 HA ARG 12 -7.436 -19.641 -2.793 61 HB2 ARG 12 1HB ARG 12 -7.433 -20.363 -5.698 62 HB3 ARG 12 2HB ARG 12 -6.006 -19.614 -4.994 63 HG2 ARG 12 1HG ARG 12 -7.187 -21.954 -3.599 64 HG3 ARG 12 2HG ARG 12 -6.299 -22.231 -5.099 65 HD2 ARG 12 1HD ARG 12 -4.387 -20.977 -4.136 66 HD3 ARG 12 2HD ARG 12 -5.277 -20.853 -2.619 67 HE ARG 12 HE ARG 12 -5.136 -23.552 -3.353 68 HH11 ARG 12 1HH1 ARG 12 -3.053 -20.969 -2.299 69 HH12 ARG 12 2HH1 ARG 12 -1.913 -22.025 -1.535 70 HH21 ARG 12 1HH2 ARG 12 -3.641 -24.953 -2.350 71 HH22 ARG 12 2HH2 ARG 12 -2.247 -24.291 -1.565 72 HA PRO 13 HA PRO 13 -7.374 -15.283 -3.367 73 HB2 PRO 13 1HB PRO 13 -4.777 -14.769 -2.769 74 HB3 PRO 13 2HB PRO 13 -5.976 -15.204 -1.546 75 HG2 PRO 13 1HG PRO 13 -3.924 -16.925 -2.882 76 HG3 PRO 13 2HG PRO 13 -4.396 -16.869 -1.174 77 HD2 PRO 13 1HD PRO 13 -5.293 -18.779 -2.871 78 HD3 PRO 13 2HD PRO 13 -6.268 -18.169 -1.519 79 H LEU 14 H LEU 14 -5.761 -13.565 -4.374 80 HA LEU 14 HA LEU 14 -5.045 -14.560 -7.052 81 HB2 LEU 14 1HB LEU 14 -5.304 -12.049 -7.627 82 HB3 LEU 14 2HB LEU 14 -6.739 -13.055 -7.447 83 HG LEU 14 HG LEU 14 -5.779 -11.521 -5.082 84 HD11 LEU 14 1HD1 LEU 14 -7.621 -9.854 -6.301 85 HD12 LEU 14 2HD1 LEU 14 -6.530 -10.317 -7.607 86 HD13 LEU 14 3HD1 LEU 14 -5.887 -9.570 -6.144 87 HD21 LEU 14 3HD2 LEU 14 -7.888 -13.175 -5.540 88 HD22 LEU 14 1HD2 LEU 14 -8.610 -11.594 -5.840 89 HD23 LEU 14 2HD2 LEU 14 -7.837 -11.931 -4.290 90 H TRP 15 H TRP 15 -4.126 -12.265 -4.510 91 HA TRP 15 HA TRP 15 -1.406 -12.219 -5.643 92 HB2 TRP 15 1HB TRP 15 -2.987 -10.151 -4.142 93 HB3 TRP 15 2HB TRP 15 -1.227 -10.094 -4.160 94 HD1 TRP 15 HD TRP 15 -3.975 -10.469 -6.895 95 HE1 TRP 15 1HE TRP 15 -3.327 -8.949 -8.868 96 HE3 TRP 15 3HE TRP 15 0.397 -8.567 -5.050 97 HZ2 TRP 15 2HZ TRP 15 -1.238 -7.179 -9.552 98 HZ3 TRP 15 3HZ TRP 15 1.660 -6.966 -6.427 99 HH2 TRP 15 HH TRP 15 0.859 -6.288 -8.632 100 H GLU 16 H GLU 16 -2.791 -11.516 -2.436 101 HA GLU 16 HA GLU 16 -1.491 -13.745 -1.201 102 HB2 GLU 16 1HB GLU 16 -0.293 -11.002 -0.981 103 HB3 GLU 16 2HB GLU 16 -0.139 -12.149 0.342 104 HG2 GLU 16 1HG GLU 16 0.756 -13.757 -1.473 105 HG3 GLU 16 2HG GLU 16 0.997 -12.287 -2.417 106 HA PRO 17 HA PRO 17 -4.747 -13.004 1.664 107 HB2 PRO 17 1HB PRO 17 -3.833 -14.478 3.753 108 HB3 PRO 17 2HB PRO 17 -4.499 -15.202 2.285 109 HG2 PRO 17 1HG PRO 17 -1.638 -14.795 3.067 110 HG3 PRO 17 2HG PRO 17 -2.403 -16.209 2.320 111 HD2 PRO 17 1HD PRO 17 -0.972 -14.405 0.896 112 HD3 PRO 17 2HD PRO 17 -2.360 -15.277 0.213 113 H GLU 18 H GLU 18 -1.494 -12.884 3.136 114 HA GLU 18 HA GLU 18 -2.384 -10.921 5.071 115 HB2 GLU 18 1HB GLU 18 0.126 -11.016 5.699 116 HB3 GLU 18 2HB GLU 18 -0.883 -12.417 6.031 117 HG2 GLU 18 1HG GLU 18 -0.019 -13.589 4.156 118 HG3 GLU 18 2HG GLU 18 0.800 -12.148 3.557 119 H GLU 19 H GLU 19 -2.527 -10.105 2.338 120 HA GLU 19 HA GLU 19 -0.787 -7.758 2.485 121 HB2 GLU 19 1HB GLU 19 -1.124 -9.411 -0.024 122 HB3 GLU 19 2HB GLU 19 -0.205 -7.919 0.120 123 HG2 GLU 19 1HG GLU 19 0.437 -10.380 1.713 124 HG3 GLU 19 2HG GLU 19 1.121 -10.063 0.120 125 H THR 20 H THR 20 -1.647 -5.898 1.597 126 HA THR 20 HA THR 20 -4.519 -6.012 1.062 127 HB THR 20 HB THR 20 -2.727 -3.635 1.596 128 HG1 THR 20 1HG THR 20 -4.638 -4.998 3.216 129 HG21 THR 20 3HG2 THR 20 -4.803 -3.260 0.154 130 HG22 THR 20 1HG2 THR 20 -4.645 -2.268 1.603 131 HG23 THR 20 2HG2 THR 20 -5.735 -3.655 1.598 132 H VAL 21 H VAL 21 -4.950 -6.402 -1.027 133 HA VAL 21 HA VAL 21 -3.318 -5.170 -3.110 134 HB VAL 21 HB VAL 21 -5.559 -7.188 -3.289 135 HG11 VAL 21 1HG1 VAL 21 -5.045 -7.387 -5.634 136 HG12 VAL 21 2HG1 VAL 21 -5.430 -5.704 -5.270 137 HG13 VAL 21 3HG1 VAL 21 -3.751 -6.199 -5.490 138 HG21 VAL 21 3HG2 VAL 21 -2.868 -7.494 -2.594 139 HG22 VAL 21 1HG2 VAL 21 -4.012 -8.764 -3.030 140 HG23 VAL 21 2HG2 VAL 21 -2.987 -8.038 -4.268 141 H VAL 22 H VAL 22 -3.976 -3.536 -4.384 142 HA VAL 22 HA VAL 22 -6.766 -2.622 -4.125 143 HB VAL 22 HB VAL 22 -5.761 -0.283 -4.551 144 HG11 VAL 22 1HG1 VAL 22 -5.168 -1.509 -1.867 145 HG12 VAL 22 2HG1 VAL 22 -5.648 0.151 -2.225 146 HG13 VAL 22 3HG1 VAL 22 -6.804 -1.166 -2.428 147 HG21 VAL 22 3HG2 VAL 22 -3.493 0.042 -3.707 148 HG22 VAL 22 1HG2 VAL 22 -3.326 -1.697 -3.466 149 HG23 VAL 22 2HG2 VAL 22 -3.499 -1.046 -5.096 150 H ILE 23 H ILE 23 -7.652 -1.541 -5.952 151 HA ILE 23 HA ILE 23 -6.233 -2.123 -8.469 152 HB ILE 23 HB ILE 23 -9.224 -1.938 -8.265 153 HG12 ILE 23 1HG1 ILE 23 -8.889 -4.584 -8.392 154 HG13 ILE 23 2HG1 ILE 23 -7.430 -4.186 -7.490 155 HG21 ILE 23 1HG2 ILE 23 -7.809 -3.692 -10.185 156 HG22 ILE 23 2HG2 ILE 23 -9.260 -2.714 -10.397 157 HG23 ILE 23 3HG2 ILE 23 -7.671 -1.951 -10.430 158 HD11 ILE 23 3HD1 ILE 23 -9.825 -4.694 -6.369 159 HD12 ILE 23 1HD1 ILE 23 -8.569 -3.707 -5.622 160 HD13 ILE 23 2HD1 ILE 23 -9.892 -2.936 -6.497 161 H ALA 24 H ALA 24 -6.164 -0.567 -10.035 162 HA ALA 24 HA ALA 24 -6.834 2.131 -9.188 163 HB1 ALA 24 3HB ALA 24 -4.623 1.461 -10.247 164 HB2 ALA 24 1HB ALA 24 -5.506 1.364 -11.771 165 HB3 ALA 24 2HB ALA 24 -5.415 2.895 -10.899 166 H LEU 25 H LEU 25 -8.544 3.248 -9.873 167 HA LEU 25 HA LEU 25 -10.537 2.040 -11.491 168 HB2 LEU 25 1HB LEU 25 -10.257 4.927 -10.670 169 HB3 LEU 25 2HB LEU 25 -11.718 4.159 -11.287 170 HG LEU 25 HG LEU 25 -10.454 3.129 -8.782 171 HD11 LEU 25 1HD1 LEU 25 -11.816 4.692 -7.477 172 HD12 LEU 25 2HD1 LEU 25 -12.271 5.528 -8.961 173 HD13 LEU 25 3HD1 LEU 25 -10.590 5.527 -8.430 174 HD21 LEU 25 3HD2 LEU 25 -12.629 2.374 -10.261 175 HD22 LEU 25 1HD2 LEU 25 -13.354 3.389 -9.014 176 HD23 LEU 25 2HD2 LEU 25 -12.371 1.998 -8.557 177 H TYR 26 H TYR 26 -8.203 4.646 -12.068 178 HA TYR 26 HA TYR 26 -8.721 4.346 -14.953 179 HB2 TYR 26 1HB TYR 26 -7.724 6.943 -13.864 180 HB3 TYR 26 2HB TYR 26 -8.687 6.629 -15.304 181 HD1 TYR 26 2HD TYR 26 -8.782 7.108 -11.667 182 HD2 TYR 26 1HD TYR 26 -11.095 6.472 -15.181 183 HE1 TYR 26 2HE TYR 26 -10.818 7.727 -10.432 184 HE2 TYR 26 1HE TYR 26 -13.137 7.091 -13.957 185 HH TYR 26 HH TYR 26 -13.026 7.929 -10.506 186 H ASP 27 H ASP 27 -6.839 5.229 -16.278 187 HA ASP 27 HA ASP 27 -4.410 3.992 -15.272 188 HB2 ASP 27 1HB ASP 27 -4.935 3.379 -17.502 189 HB3 ASP 27 2HB ASP 27 -5.239 5.050 -17.970 190 H TYR 28 H TYR 28 -3.423 5.326 -13.838 191 HA TYR 28 HA TYR 28 -3.219 8.154 -14.240 192 HB2 TYR 28 1HB TYR 28 -3.289 7.210 -11.985 193 HB3 TYR 28 2HB TYR 28 -1.791 6.336 -12.287 194 HD1 TYR 28 2HD TYR 28 -2.888 9.875 -12.817 195 HD2 TYR 28 1HD TYR 28 -0.044 7.228 -11.083 196 HE1 TYR 28 2HE TYR 28 -1.603 11.804 -11.996 197 HE2 TYR 28 1HE TYR 28 1.249 9.150 -10.256 198 HH TYR 28 HH TYR 28 0.993 11.462 -9.754 199 H GLN 29 H GLN 29 -1.552 9.337 -15.027 200 HA GLN 29 HA GLN 29 0.759 7.844 -16.083 201 HB2 GLN 29 1HB GLN 29 -0.942 9.969 -17.280 202 HB3 GLN 29 2HB GLN 29 0.776 10.007 -17.651 203 HG2 GLN 29 1HG GLN 29 0.668 7.757 -18.534 204 HG3 GLN 29 2HG GLN 29 -1.035 7.644 -18.090 205 HE21 GLN 29 1HE2 GLN 29 1.244 9.452 -20.085 206 HE22 GLN 29 2HE2 GLN 29 0.117 9.845 -21.334 207 H THR 30 H THR 30 2.736 8.488 -15.487 208 HA THR 30 HA THR 30 3.126 11.177 -14.409 209 HB THR 30 HB THR 30 2.613 9.675 -12.475 210 HG1 THR 30 1HG THR 30 5.070 11.018 -12.785 211 HG21 THR 30 3HG2 THR 30 4.967 8.219 -13.600 212 HG22 THR 30 1HG2 THR 30 3.464 7.578 -12.938 213 HG23 THR 30 2HG2 THR 30 4.701 8.220 -11.857 214 H ASN 31 H ASN 31 5.253 11.930 -14.522 215 HA ASN 31 HA ASN 31 7.131 10.194 -15.984 216 HB2 ASN 31 1HB ASN 31 6.379 13.060 -16.478 217 HB3 ASN 31 2HB ASN 31 7.958 12.455 -16.969 218 HD21 ASN 31 1HD2 ASN 31 7.885 10.406 -18.271 219 HD22 ASN 31 2HD2 ASN 31 6.651 10.291 -19.475 220 H ASP 32 H ASP 32 6.975 10.569 -13.145 221 HA ASP 32 HA ASP 32 9.599 11.823 -12.696 222 HB2 ASP 32 1HB ASP 32 7.033 12.254 -11.240 223 HB3 ASP 32 2HB ASP 32 8.520 12.232 -10.296 224 HA PRO 33 HA PRO 33 10.720 7.969 -10.897 225 HB2 PRO 33 1HB PRO 33 12.770 8.798 -9.322 226 HB3 PRO 33 2HB PRO 33 12.895 8.685 -11.082 227 HG2 PRO 33 1HG PRO 33 12.389 11.088 -9.370 228 HG3 PRO 33 2HG PRO 33 13.452 10.922 -10.779 229 HD2 PRO 33 1HD PRO 33 10.998 12.058 -10.930 230 HD3 PRO 33 2HD PRO 33 11.712 11.145 -12.275 231 H GLN 34 H GLN 34 9.858 10.710 -8.922 232 HA GLN 34 HA GLN 34 9.839 9.302 -6.432 233 HB2 GLN 34 1HB GLN 34 8.648 11.938 -7.292 234 HB3 GLN 34 2HB GLN 34 8.528 11.318 -5.651 235 HG2 GLN 34 1HG GLN 34 10.738 11.666 -5.205 236 HG3 GLN 34 2HG GLN 34 11.218 11.504 -6.893 237 HE21 GLN 34 1HE2 GLN 34 11.339 13.612 -4.570 238 HE22 GLN 34 2HE2 GLN 34 11.027 15.091 -5.407 239 H GLU 35 H GLU 35 7.507 9.944 -8.963 240 HA GLU 35 HA GLU 35 5.424 8.587 -7.395 241 HB2 GLU 35 1HB GLU 35 5.299 10.436 -9.769 242 HB3 GLU 35 2HB GLU 35 3.920 9.464 -9.276 243 HG2 GLU 35 1HG GLU 35 3.626 10.634 -7.310 244 HG3 GLU 35 2HG GLU 35 5.287 11.222 -7.291 245 H LEU 36 H LEU 36 3.827 7.374 -8.967 246 HA LEU 36 HA LEU 36 5.370 5.798 -10.906 247 HB2 LEU 36 1HB LEU 36 5.351 4.476 -8.915 248 HB3 LEU 36 2HB LEU 36 3.624 4.745 -8.692 249 HG LEU 36 HG LEU 36 3.444 3.501 -10.993 250 HD11 LEU 36 1HD1 LEU 36 5.289 2.581 -11.802 251 HD12 LEU 36 2HD1 LEU 36 5.568 1.733 -10.282 252 HD13 LEU 36 3HD1 LEU 36 6.217 3.355 -10.518 253 HD21 LEU 36 3HD2 LEU 36 3.447 1.314 -9.692 254 HD22 LEU 36 1HD2 LEU 36 2.391 2.596 -9.099 255 HD23 LEU 36 2HD2 LEU 36 3.927 2.275 -8.293 256 H ALA 37 H ALA 37 4.159 4.866 -12.590 257 HA ALA 37 HA ALA 37 1.609 6.217 -13.072 258 HB1 ALA 37 3HB ALA 37 1.953 5.873 -15.358 259 HB2 ALA 37 1HB ALA 37 3.561 6.233 -14.729 260 HB3 ALA 37 2HB ALA 37 3.104 4.566 -15.082 261 H LEU 38 H LEU 38 -0.160 5.154 -12.482 262 HA LEU 38 HA LEU 38 -0.182 2.287 -12.198 263 HB2 LEU 38 1HB LEU 38 -2.370 4.336 -11.884 264 HB3 LEU 38 2HB LEU 38 -2.528 2.625 -11.492 265 HG LEU 38 HG LEU 38 -0.536 4.442 -10.150 266 HD11 LEU 38 1HD1 LEU 38 -3.414 3.916 -9.539 267 HD12 LEU 38 2HD1 LEU 38 -2.518 5.434 -9.496 268 HD13 LEU 38 3HD1 LEU 38 -2.268 4.226 -8.235 269 HD21 LEU 38 3HD2 LEU 38 0.161 2.288 -9.736 270 HD22 LEU 38 1HD2 LEU 38 -1.477 1.634 -9.774 271 HD23 LEU 38 2HD2 LEU 38 -0.932 2.564 -8.378 272 H ARG 39 H ARG 39 -2.314 1.185 -13.039 273 HA ARG 39 HA ARG 39 -2.835 2.009 -15.808 274 HB2 ARG 39 1HB ARG 39 -1.064 0.191 -15.657 275 HB3 ARG 39 2HB ARG 39 -2.330 -0.863 -15.042 276 HG2 ARG 39 1HG ARG 39 -3.397 -0.996 -17.060 277 HG3 ARG 39 2HG ARG 39 -2.797 0.572 -17.603 278 HD2 ARG 39 1HD ARG 39 -0.580 -0.356 -17.922 279 HD3 ARG 39 2HD ARG 39 -1.117 -1.912 -17.291 280 HE ARG 39 HE ARG 39 -1.993 -2.388 -19.345 281 HH11 ARG 39 1HH1 ARG 39 -1.483 1.048 -19.111 282 HH12 ARG 39 2HH1 ARG 39 -1.886 1.352 -20.769 283 HH21 ARG 39 1HH2 ARG 39 -2.526 -2.001 -21.529 284 HH22 ARG 39 2HH2 ARG 39 -2.480 -0.383 -22.143 285 H ARG 40 H ARG 40 -4.840 1.349 -16.655 286 HA ARG 40 HA ARG 40 -6.933 1.182 -14.739 287 HB2 ARG 40 1HB ARG 40 -7.223 2.330 -16.884 288 HB3 ARG 40 2HB ARG 40 -7.008 0.808 -17.738 289 HG2 ARG 40 1HG ARG 40 -9.078 0.009 -17.112 290 HG3 ARG 40 2HG ARG 40 -9.178 1.073 -15.708 291 HD2 ARG 40 1HD ARG 40 -9.537 2.988 -17.126 292 HD3 ARG 40 2HD ARG 40 -9.278 2.011 -18.571 293 HE ARG 40 HE ARG 40 -11.388 0.902 -17.095 294 HH11 ARG 40 1HH1 ARG 40 -10.644 3.733 -18.979 295 HH12 ARG 40 2HH1 ARG 40 -12.284 3.994 -19.474 296 HH21 ARG 40 1HH2 ARG 40 -13.550 1.236 -17.739 297 HH22 ARG 40 2HH2 ARG 40 -13.936 2.574 -18.767 298 H ASN 41 H ASN 41 -7.971 -0.533 -13.924 299 HA ASN 41 HA ASN 41 -8.573 -2.683 -13.488 300 HB2 ASN 41 1HB ASN 41 -7.785 -3.239 -16.356 301 HB3 ASN 41 2HB ASN 41 -8.821 -4.236 -15.339 302 HD21 ASN 41 1HD2 ASN 41 -10.248 -3.938 -17.233 303 HD22 ASN 41 2HD2 ASN 41 -11.288 -2.558 -17.252 304 H GLU 42 H GLU 42 -5.949 -1.832 -12.860 305 HA GLU 42 HA GLU 42 -4.521 -4.400 -13.038 306 HB2 GLU 42 1HB GLU 42 -3.467 -1.616 -13.424 307 HB3 GLU 42 2HB GLU 42 -2.408 -2.900 -12.859 308 HG2 GLU 42 1HG GLU 42 -3.799 -2.633 -15.492 309 HG3 GLU 42 2HG GLU 42 -2.084 -2.864 -15.158 310 H GLU 43 H GLU 43 -4.263 -5.287 -11.107 311 HA GLU 43 HA GLU 43 -4.753 -3.809 -8.701 312 HB2 GLU 43 1HB GLU 43 -3.799 -6.644 -9.131 313 HB3 GLU 43 2HB GLU 43 -4.243 -5.965 -7.571 314 HG2 GLU 43 1HG GLU 43 -6.181 -7.021 -8.124 315 HG3 GLU 43 2HG GLU 43 -6.493 -5.423 -8.799 316 H TYR 44 H TYR 44 -3.287 -3.571 -6.932 317 HA TYR 44 HA TYR 44 -0.441 -3.833 -7.556 318 HB2 TYR 44 1HB TYR 44 -1.778 -1.259 -6.705 319 HB3 TYR 44 2HB TYR 44 -0.037 -1.516 -6.693 320 HD1 TYR 44 1HD TYR 44 -3.008 -1.322 -8.894 321 HD2 TYR 44 2HD TYR 44 1.241 -1.306 -8.673 322 HE1 TYR 44 1HE TYR 44 -2.895 -0.619 -11.248 323 HE2 TYR 44 2HE TYR 44 1.366 -0.602 -11.027 324 HH TYR 44 HH TYR 44 -1.293 -0.709 -13.120 325 H CYS 45 H CYS 45 0.701 -4.561 -5.876 326 HA CYS 45 HA CYS 45 -0.610 -5.199 -3.425 327 HB2 CYS 45 1HB CYS 45 1.086 -6.690 -4.280 328 HB3 CYS 45 2HB CYS 45 2.285 -5.403 -4.267 329 HG CYS 45 HG CYS 45 2.189 -5.179 -1.417 330 H LEU 46 H LEU 46 -1.085 -3.677 -1.981 331 HA LEU 46 HA LEU 46 0.288 -1.211 -1.752 332 HB2 LEU 46 1HB LEU 46 -2.131 -1.946 -1.041 333 HB3 LEU 46 2HB LEU 46 -1.340 -2.311 0.491 334 HG LEU 46 HG LEU 46 -1.226 0.398 -0.821 335 HD11 LEU 46 1HD1 LEU 46 -2.863 0.636 1.367 336 HD12 LEU 46 2HD1 LEU 46 -3.387 -0.888 0.651 337 HD13 LEU 46 3HD1 LEU 46 -3.391 0.587 -0.316 338 HD21 LEU 46 3HD2 LEU 46 -0.657 -0.544 1.988 339 HD22 LEU 46 1HD2 LEU 46 -0.593 1.128 1.429 340 HD23 LEU 46 2HD2 LEU 46 0.543 -0.060 0.788 341 H LEU 47 H LEU 47 2.179 -0.824 -0.827 342 HA LEU 47 HA LEU 47 3.400 -2.808 0.895 343 HB2 LEU 47 1HB LEU 47 4.483 -0.137 0.019 344 HB3 LEU 47 2HB LEU 47 5.395 -1.467 0.731 345 HG LEU 47 HG LEU 47 3.995 -1.721 -1.919 346 HD11 LEU 47 1HD1 LEU 47 5.450 -0.280 -2.783 347 HD12 LEU 47 2HD1 LEU 47 6.708 -1.460 -2.417 348 HD13 LEU 47 3HD1 LEU 47 6.349 -0.169 -1.270 349 HD21 LEU 47 3HD2 LEU 47 5.655 -3.511 -2.238 350 HD22 LEU 47 1HD2 LEU 47 4.610 -3.803 -0.847 351 HD23 LEU 47 2HD2 LEU 47 6.258 -3.222 -0.605 352 H ASP 48 H ASP 48 2.845 0.710 1.132 353 HA ASP 48 HA ASP 48 2.152 0.381 3.947 354 HB2 ASP 48 1HB ASP 48 4.521 1.897 2.921 355 HB3 ASP 48 2HB ASP 48 3.669 2.491 4.343 356 H SER 49 H SER 49 0.767 1.936 4.732 357 HA SER 49 HA SER 49 -0.213 3.875 2.742 358 HB2 SER 49 1HB SER 49 -2.398 3.730 3.882 359 HB3 SER 49 2HB SER 49 -1.872 2.155 3.287 360 HG SER 49 HG SER 49 -1.291 1.588 5.366 361 H SER 50 H SER 50 1.976 4.472 4.409 362 HA SER 50 HA SER 50 1.574 5.695 6.805 363 HB2 SER 50 1HB SER 50 3.701 5.540 5.255 364 HB3 SER 50 2HB SER 50 3.211 7.164 4.772 365 HG SER 50 HG SER 50 4.345 6.300 7.104 366 H GLU 51 H GLU 51 1.295 7.361 3.660 367 HA GLU 51 HA GLU 51 -0.119 9.557 4.944 368 HB2 GLU 51 1HB GLU 51 1.051 9.115 2.217 369 HB3 GLU 51 2HB GLU 51 -0.109 10.409 2.482 370 HG2 GLU 51 1HG GLU 51 2.529 10.060 3.888 371 HG3 GLU 51 2HG GLU 51 2.151 11.246 2.640 372 H ILE 52 H ILE 52 -1.916 10.459 3.252 373 HA ILE 52 HA ILE 52 -3.848 8.253 3.009 374 HB ILE 52 HB ILE 52 -4.391 11.213 3.265 375 HG12 ILE 52 1HG1 ILE 52 -4.837 8.998 5.276 376 HG13 ILE 52 2HG1 ILE 52 -3.481 10.119 5.320 377 HG21 ILE 52 1HG2 ILE 52 -6.288 10.561 2.222 378 HG22 ILE 52 2HG2 ILE 52 -6.092 8.871 2.684 379 HG23 ILE 52 3HG2 ILE 52 -6.727 10.035 3.847 380 HD11 ILE 52 3HD1 ILE 52 -5.993 11.523 5.146 381 HD12 ILE 52 1HD1 ILE 52 -5.953 10.433 6.531 382 HD13 ILE 52 2HD1 ILE 52 -4.701 11.661 6.338 383 H HIS 53 H HIS 53 -3.263 11.426 1.479 384 HA HIS 53 HA HIS 53 -4.600 10.842 -0.910 385 HB2 HIS 53 1HB HIS 53 -2.256 12.707 -0.880 386 HB3 HIS 53 2HB HIS 53 -3.805 12.877 -1.701 387 HD1 HIS 53 1HD HIS 53 -5.838 13.658 -0.221 388 HD2 HIS 53 2HD HIS 53 -2.136 13.780 1.660 389 HE1 HIS 53 1HE HIS 53 -6.172 15.075 1.830 390 HE2 HIS 53 2HE HIS 53 -3.899 15.205 2.906 391 H TRP 54 H TRP 54 -1.222 10.421 0.020 392 HA TRP 54 HA TRP 54 -0.758 9.018 -2.529 393 HB2 TRP 54 1HB TRP 54 1.372 10.150 -0.713 394 HB3 TRP 54 2HB TRP 54 1.557 9.585 -2.371 395 HD1 TRP 54 HD TRP 54 1.048 12.678 -0.422 396 HE1 TRP 54 1HE TRP 54 0.481 14.647 -1.979 397 HE3 TRP 54 3HE TRP 54 0.066 10.067 -4.706 398 HZ2 TRP 54 2HZ TRP 54 -0.283 15.041 -4.668 399 HZ3 TRP 54 3HZ TRP 54 -0.577 11.316 -6.727 400 HH2 TRP 54 HH TRP 54 -0.748 13.751 -6.705 401 H TRP 55 H TRP 55 -0.448 6.894 -2.449 402 HA TRP 55 HA TRP 55 0.309 5.691 0.133 403 HB2 TRP 55 1HB TRP 55 -1.761 4.924 -1.868 404 HB3 TRP 55 2HB TRP 55 -0.913 3.628 -1.029 405 HD1 TRP 55 HD TRP 55 -1.241 6.528 1.231 406 HE1 TRP 55 1HE TRP 55 -3.173 6.168 2.893 407 HE3 TRP 55 3HE TRP 55 -3.499 2.524 -1.005 408 HZ2 TRP 55 2HZ TRP 55 -5.363 4.417 3.214 409 HZ3 TRP 55 3HZ TRP 55 -5.507 1.565 0.044 410 HH2 TRP 55 HH TRP 55 -6.418 2.493 2.110 411 H ARG 56 H ARG 56 1.673 3.858 0.085 412 HA ARG 56 HA ARG 56 3.415 3.796 -2.263 413 HB2 ARG 56 1HB ARG 56 4.213 4.091 0.192 414 HB3 ARG 56 2HB ARG 56 3.959 2.356 0.315 415 HG2 ARG 56 1HG ARG 56 5.577 1.924 -1.384 416 HG3 ARG 56 2HG ARG 56 5.717 3.643 -1.757 417 HD2 ARG 56 1HD ARG 56 6.586 4.035 0.517 418 HD3 ARG 56 2HD ARG 56 6.503 2.301 0.827 419 HE ARG 56 HE ARG 56 8.042 2.847 -1.493 420 HH11 ARG 56 1HH1 ARG 56 8.153 2.951 1.985 421 HH12 ARG 56 2HH1 ARG 56 9.873 2.762 2.066 422 HH21 ARG 56 1HH2 ARG 56 10.307 2.598 -1.400 423 HH22 ARG 56 2HH2 ARG 56 11.098 2.562 0.140 424 H VAL 57 H VAL 57 2.858 2.355 -3.760 425 HA VAL 57 HA VAL 57 2.122 -0.357 -2.870 426 HB VAL 57 HB VAL 57 0.583 -0.591 -4.699 427 HG11 VAL 57 1HG1 VAL 57 -0.230 2.087 -3.721 428 HG12 VAL 57 2HG1 VAL 57 -1.140 0.576 -3.781 429 HG13 VAL 57 3HG1 VAL 57 0.061 0.834 -2.515 430 HG21 VAL 57 3HG2 VAL 57 2.074 1.495 -5.855 431 HG22 VAL 57 1HG2 VAL 57 0.727 0.606 -6.565 432 HG23 VAL 57 2HG2 VAL 57 0.427 2.099 -5.675 433 H GLN 58 H GLN 58 2.305 -1.918 -4.849 434 HA GLN 58 HA GLN 58 4.629 -1.258 -6.502 435 HB2 GLN 58 1HB GLN 58 5.379 -2.450 -4.414 436 HB3 GLN 58 2HB GLN 58 4.442 -3.839 -4.946 437 HG2 GLN 58 1HG GLN 58 5.813 -4.116 -6.878 438 HG3 GLN 58 2HG GLN 58 6.651 -2.597 -6.563 439 HE21 GLN 58 1HE2 GLN 58 8.670 -3.127 -6.098 440 HE22 GLN 58 2HE2 GLN 58 9.162 -4.303 -4.932 441 H ASP 59 H ASP 59 4.384 -1.895 -8.545 442 HA ASP 59 HA ASP 59 1.992 -3.169 -9.394 443 HB2 ASP 59 1HB ASP 59 3.351 -1.486 -10.713 444 HB3 ASP 59 2HB ASP 59 4.495 -2.786 -11.040 445 H ARG 60 H ARG 60 1.981 -5.107 -10.836 446 HA ARG 60 HA ARG 60 3.057 -7.335 -9.456 447 HB2 ARG 60 1HB ARG 60 2.034 -8.685 -11.184 448 HB3 ARG 60 2HB ARG 60 0.932 -7.392 -10.728 449 HG2 ARG 60 1HG ARG 60 1.787 -6.114 -12.723 450 HG3 ARG 60 2HG ARG 60 2.605 -7.599 -13.214 451 HD2 ARG 60 1HD ARG 60 -0.289 -7.736 -12.545 452 HD3 ARG 60 2HD ARG 60 0.179 -6.995 -14.075 453 HE ARG 60 HE ARG 60 0.825 -9.064 -14.857 454 HH11 ARG 60 1HH1 ARG 60 0.160 -9.234 -11.444 455 HH12 ARG 60 2HH1 ARG 60 0.204 -10.966 -11.390 456 HH21 ARG 60 1HH2 ARG 60 0.886 -11.343 -14.798 457 HH22 ARG 60 2HH2 ARG 60 0.618 -12.164 -13.298 458 H ASN 61 H ASN 61 4.470 -5.221 -11.617 459 HA ASN 61 HA ASN 61 6.276 -7.195 -12.782 460 HB2 ASN 61 1HB ASN 61 5.972 -4.219 -13.223 461 HB3 ASN 61 2HB ASN 61 7.197 -5.206 -14.015 462 HD21 ASN 61 1HD2 ASN 61 6.471 -6.929 -15.399 463 HD22 ASN 61 2HD2 ASN 61 4.960 -6.783 -16.224 464 H GLY 62 H GLY 62 6.412 -4.287 -10.741 465 HA2 GLY 62 1HA GLY 62 8.007 -4.826 -8.767 466 HA3 GLY 62 2HA GLY 62 9.194 -4.946 -10.058 467 H HIS 63 H HIS 63 6.559 -2.630 -10.027 468 HA HIS 63 HA HIS 63 8.538 -0.484 -9.615 469 HB2 HIS 63 1HB HIS 63 6.040 -0.056 -11.217 470 HB3 HIS 63 2HB HIS 63 7.569 0.816 -11.287 471 HD1 HIS 63 1HD HIS 63 6.040 -0.513 -13.747 472 HD2 HIS 63 2HD HIS 63 9.340 -2.065 -11.758 473 HE1 HIS 63 1HE HIS 63 7.145 -2.066 -15.388 474 HE2 HIS 63 2HE HIS 63 9.090 -3.058 -14.133 475 H GLU 64 H GLU 64 8.194 0.699 -7.863 476 HA GLU 64 HA GLU 64 5.435 0.975 -6.867 477 HB2 GLU 64 1HB GLU 64 6.598 1.155 -4.561 478 HB3 GLU 64 2HB GLU 64 6.371 -0.437 -5.272 479 HG2 GLU 64 1HG GLU 64 8.577 -0.242 -4.308 480 HG3 GLU 64 2HG GLU 64 8.683 -0.417 -6.059 481 H GLY 65 H GLY 65 5.054 2.911 -5.561 482 HA2 GLY 65 1HA GLY 65 6.841 5.033 -5.284 483 HA3 GLY 65 2HA GLY 65 6.043 5.235 -6.837 484 H TYR 66 H TYR 66 5.290 7.252 -5.816 485 HA TYR 66 HA TYR 66 3.155 6.884 -3.849 486 HB2 TYR 66 1HB TYR 66 4.528 9.363 -4.899 487 HB3 TYR 66 2HB TYR 66 3.172 9.400 -3.778 488 HD1 TYR 66 1HD TYR 66 3.736 7.331 -1.865 489 HD2 TYR 66 2HD TYR 66 6.440 10.006 -3.773 490 HE1 TYR 66 1HE TYR 66 5.290 7.100 0.027 491 HE2 TYR 66 2HE TYR 66 8.002 9.782 -1.886 492 HH TYR 66 HH TYR 66 8.494 8.119 -0.091 493 H VAL 67 H VAL 67 1.224 6.435 -4.674 494 HA VAL 67 HA VAL 67 0.375 7.862 -7.111 495 HB VAL 67 HB VAL 67 -1.285 5.880 -7.296 496 HG11 VAL 67 1HG1 VAL 67 0.707 4.475 -8.312 497 HG12 VAL 67 2HG1 VAL 67 0.177 5.987 -9.050 498 HG13 VAL 67 3HG1 VAL 67 1.601 5.964 -8.008 499 HG21 VAL 67 3HG2 VAL 67 -0.648 4.993 -5.029 500 HG22 VAL 67 1HG2 VAL 67 -0.617 3.809 -6.336 501 HG23 VAL 67 2HG2 VAL 67 0.891 4.499 -5.735 502 HA PRO 68 HA PRO 68 -2.969 9.613 -4.865 503 HB2 PRO 68 1HB PRO 68 -4.856 9.788 -6.809 504 HB3 PRO 68 2HB PRO 68 -3.433 10.835 -6.754 505 HG2 PRO 68 1HG PRO 68 -3.910 8.373 -8.389 506 HG3 PRO 68 2HG PRO 68 -3.176 9.913 -8.873 507 HD2 PRO 68 1HD PRO 68 -1.703 7.721 -8.274 508 HD3 PRO 68 2HD PRO 68 -1.133 9.372 -7.954 509 H SER 69 H SER 69 -3.796 8.270 -3.345 510 HA SER 69 HA SER 69 -4.815 5.764 -3.546 511 HB2 SER 69 1HB SER 69 -5.818 6.076 -1.453 512 HB3 SER 69 2HB SER 69 -4.551 7.302 -1.469 513 HG SER 69 HG SER 69 -6.529 8.179 -0.772 514 H SER 70 H SER 70 -6.446 8.759 -4.373 515 HA SER 70 HA SER 70 -9.066 8.043 -4.558 516 HB2 SER 70 1HB SER 70 -7.545 9.647 -6.628 517 HB3 SER 70 2HB SER 70 -9.290 9.673 -6.377 518 HG SER 70 HG SER 70 -7.473 11.151 -5.176 519 H TYR 71 H TYR 71 -6.508 7.288 -6.881 520 HA TYR 71 HA TYR 71 -8.256 5.980 -8.726 521 HB2 TYR 71 1HB TYR 71 -5.262 6.111 -8.429 522 HB3 TYR 71 2HB TYR 71 -6.025 5.094 -9.647 523 HD1 TYR 71 1HD TYR 71 -6.692 8.569 -8.431 524 HD2 TYR 71 2HD TYR 71 -5.793 6.043 -11.734 525 HE1 TYR 71 1HE TYR 71 -6.842 10.503 -9.942 526 HE2 TYR 71 2HE TYR 71 -5.939 7.970 -13.255 527 HH TYR 71 HH TYR 71 -7.143 11.048 -12.211 528 H LEU 72 H LEU 72 -6.031 4.893 -6.196 529 HA LEU 72 HA LEU 72 -6.387 2.120 -6.667 530 HB2 LEU 72 1HB LEU 72 -5.510 3.580 -4.180 531 HB3 LEU 72 2HB LEU 72 -5.388 1.839 -4.428 532 HG LEU 72 HG LEU 72 -3.964 3.891 -6.118 533 HD11 LEU 72 1HD1 LEU 72 -2.658 4.181 -4.330 534 HD12 LEU 72 2HD1 LEU 72 -2.053 2.563 -4.682 535 HD13 LEU 72 3HD1 LEU 72 -3.334 2.785 -3.491 536 HD21 LEU 72 3HD2 LEU 72 -3.113 2.184 -7.308 537 HD22 LEU 72 1HD2 LEU 72 -4.536 1.316 -6.730 538 HD23 LEU 72 2HD2 LEU 72 -2.990 1.127 -5.902 539 H VAL 73 H VAL 73 -7.705 0.623 -5.677 540 HA VAL 73 HA VAL 73 -9.728 1.601 -3.795 541 HB VAL 73 HB VAL 73 -11.565 0.779 -4.980 542 HG11 VAL 73 1HG1 VAL 73 -10.018 2.717 -6.095 543 HG12 VAL 73 2HG1 VAL 73 -10.218 1.604 -7.450 544 HG13 VAL 73 3HG1 VAL 73 -11.635 2.281 -6.646 545 HG21 VAL 73 3HG2 VAL 73 -10.793 -1.384 -5.608 546 HG22 VAL 73 1HG2 VAL 73 -11.301 -0.566 -7.086 547 HG23 VAL 73 2HG2 VAL 73 -9.586 -0.705 -6.700 548 H GLU 74 H GLU 74 -10.380 0.126 -2.288 549 HA GLU 74 HA GLU 74 -8.733 -2.186 -1.928 550 HB2 GLU 74 1HB GLU 74 -9.887 -0.608 -0.163 551 HB3 GLU 74 2HB GLU 74 -11.226 -1.734 -0.339 552 HG2 GLU 74 1HG GLU 74 -9.302 -3.509 0.044 553 HG3 GLU 74 2HG GLU 74 -8.545 -2.140 0.857 554 H LYS 75 H LYS 75 -9.029 -3.966 -3.091 555 HA LYS 75 HA LYS 75 -11.373 -4.661 -4.459 556 HB2 LYS 75 1HB LYS 75 -8.938 -5.502 -4.766 557 HB3 LYS 75 2HB LYS 75 -9.365 -6.706 -3.557 558 HG2 LYS 75 1HG LYS 75 -10.777 -7.817 -4.955 559 HG3 LYS 75 2HG LYS 75 -11.180 -6.369 -5.880 560 HD2 LYS 75 1HD LYS 75 -9.223 -6.487 -7.145 561 HD3 LYS 75 2HD LYS 75 -8.423 -7.546 -5.981 562 HE2 LYS 75 1HE LYS 75 -8.953 -9.083 -7.578 563 HE3 LYS 75 2HE LYS 75 -10.429 -9.151 -6.616 564 HZ1 LYS 75 3HZ LYS 75 -10.028 -7.602 -9.118 565 HZ2 LYS 75 1HZ LYS 75 -11.427 -7.553 -8.169 566 HZ3 LYS 75 2HZ LYS 75 -10.976 -8.991 -8.936 567 H SER 76 H SER 76 -13.263 -5.094 -3.530 568 HA SER 76 HA SER 76 -13.379 -6.339 -0.910 569 HB2 SER 76 1HB SER 76 -15.710 -5.794 -0.919 570 HB3 SER 76 2HB SER 76 -14.860 -4.405 -1.594 571 HG SER 76 HG SER 76 -16.485 -4.762 -2.994 572 HA PRO 77 HA PRO 77 -14.033 -10.444 -2.349 573 HB2 PRO 77 1HB PRO 77 -15.387 -11.447 -0.221 574 HB3 PRO 77 2HB PRO 77 -13.653 -11.105 -0.182 575 HG2 PRO 77 1HG PRO 77 -15.931 -9.464 0.857 576 HG3 PRO 77 2HG PRO 77 -14.363 -9.805 1.611 577 HD2 PRO 77 1HD PRO 77 -14.892 -7.473 0.341 578 HD3 PRO 77 2HD PRO 77 -13.273 -8.202 0.364 579 H ASN 78 H ASN 78 -16.409 -8.160 -2.185 580 HA ASN 78 HA ASN 78 -18.791 -9.650 -2.307 581 HB2 ASN 78 1HB ASN 78 -18.025 -6.916 -3.313 582 HB3 ASN 78 2HB ASN 78 -19.639 -7.573 -3.570 583 HD21 ASN 78 1HD2 ASN 78 -20.278 -8.788 -1.308 584 HD22 ASN 78 2HD2 ASN 78 -20.263 -7.693 0.028 585 H ASN 79 H ASN 79 -17.984 -11.441 -3.660 586 HA ASN 79 HA ASN 79 -17.546 -12.488 -5.675 587 HB2 ASN 79 1HB ASN 79 -19.519 -12.390 -7.146 588 HB3 ASN 79 2HB ASN 79 -19.984 -12.532 -5.453 589 HD21 ASN 79 1HD2 ASN 79 -20.744 -10.646 -4.367 590 HD22 ASN 79 2HD2 ASN 79 -21.485 -9.366 -5.261 591 H LEU 80 H LEU 80 -15.907 -10.308 -5.592 592 HA LEU 80 HA LEU 80 -16.185 -8.497 -7.730 593 HB2 LEU 80 1HB LEU 80 -14.577 -8.528 -5.667 594 HB3 LEU 80 2HB LEU 80 -13.502 -9.386 -6.768 595 HG LEU 80 HG LEU 80 -12.853 -7.117 -6.830 596 HD11 LEU 80 1HD1 LEU 80 -13.131 -6.544 -9.119 597 HD12 LEU 80 2HD1 LEU 80 -14.630 -7.465 -9.234 598 HD13 LEU 80 3HD1 LEU 80 -13.093 -8.305 -9.024 599 HD21 LEU 80 3HD2 LEU 80 -15.450 -6.028 -7.702 600 HD22 LEU 80 1HD2 LEU 80 -14.211 -5.325 -6.661 601 HD23 LEU 80 2HD2 LEU 80 -15.344 -6.509 -6.008 602 H GLU 81 H GLU 81 -16.510 -9.244 -9.743 603 HA GLU 81 HA GLU 81 -14.587 -11.217 -10.790 604 HB2 GLU 81 1HB GLU 81 -17.516 -10.837 -11.344 605 HB3 GLU 81 2HB GLU 81 -16.475 -11.639 -12.512 606 HG2 GLU 81 1HG GLU 81 -17.218 -12.514 -9.750 607 HG3 GLU 81 2HG GLU 81 -17.409 -13.374 -11.277 608 H THR 82 H THR 82 -13.104 -9.718 -11.546 609 HA THR 82 HA THR 82 -14.061 -7.948 -13.701 610 HB THR 82 HB THR 82 -13.070 -6.795 -11.693 611 HG1 THR 82 1HG THR 82 -11.756 -5.425 -13.034 612 HG21 THR 82 3HG2 THR 82 -10.801 -6.957 -11.171 613 HG22 THR 82 1HG2 THR 82 -10.403 -7.720 -12.709 614 HG23 THR 82 2HG2 THR 82 -11.266 -8.631 -11.470 615 H TYR 83 H TYR 83 -12.245 -7.426 -15.306 616 HA TYR 83 HA TYR 83 -11.407 -9.870 -16.497 617 HB2 TYR 83 1HB TYR 83 -10.879 -6.975 -17.152 618 HB3 TYR 83 2HB TYR 83 -10.194 -8.291 -18.098 619 HD1 TYR 83 1HD TYR 83 -12.085 -10.151 -18.723 620 HD2 TYR 83 2HD TYR 83 -12.781 -6.014 -18.013 621 HE1 TYR 83 1HE TYR 83 -14.152 -10.278 -20.049 622 HE2 TYR 83 2HE TYR 83 -14.851 -6.130 -19.337 623 HH TYR 83 HH TYR 83 -16.083 -7.390 -20.721 624 H GLU 84 H GLU 84 -9.804 -11.046 -15.676 625 HA GLU 84 HA GLU 84 -7.624 -9.840 -14.224 626 HB2 GLU 84 1HB GLU 84 -8.530 -12.618 -14.809 627 HB3 GLU 84 2HB GLU 84 -6.842 -12.377 -14.381 628 HG2 GLU 84 1HG GLU 84 -7.576 -11.231 -12.315 629 HG3 GLU 84 2HG GLU 84 -9.243 -11.622 -12.733 630 H TRP 85 H TRP 85 -6.598 -8.568 -15.806 631 HA TRP 85 HA TRP 85 -5.504 -9.864 -18.161 632 HB2 TRP 85 1HB TRP 85 -5.719 -7.060 -17.174 633 HB3 TRP 85 2HB TRP 85 -4.421 -7.435 -18.303 634 HD1 TRP 85 HD TRP 85 -8.102 -8.669 -18.346 635 HE1 TRP 85 1HE TRP 85 -9.109 -8.066 -20.637 636 HE3 TRP 85 3HE TRP 85 -4.123 -6.157 -20.345 637 HZ2 TRP 85 2HZ TRP 85 -8.320 -6.706 -22.982 638 HZ3 TRP 85 3HZ TRP 85 -4.330 -5.237 -22.618 639 HH2 TRP 85 HH TRP 85 -6.386 -5.507 -23.907 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -12.920 -31.110 -38.009 2 HA2 GLY 1 1HA GLY 1 -14.352 -31.629 -35.507 3 HA3 GLY 1 2HA GLY 1 -12.670 -32.014 -35.835 4 H SER 2 H SER 2 -11.307 -30.853 -34.670 5 HA SER 2 HA SER 2 -12.063 -28.551 -33.224 6 HB2 SER 2 1HB SER 2 -10.264 -29.994 -32.441 7 HB3 SER 2 2HB SER 2 -9.308 -29.626 -33.877 8 HG SER 2 HG SER 2 -8.576 -27.988 -32.805 9 H SER 3 H SER 3 -11.910 -26.423 -33.654 10 HA SER 3 HA SER 3 -10.236 -25.364 -35.721 11 HB2 SER 3 1HB SER 3 -12.205 -26.322 -36.993 12 HB3 SER 3 2HB SER 3 -13.215 -25.128 -36.177 13 HG SER 3 HG SER 3 -10.934 -24.506 -37.748 14 H GLY 4 H GLY 4 -10.437 -23.000 -35.905 15 HA2 GLY 4 1HA GLY 4 -11.015 -20.886 -35.085 16 HA3 GLY 4 2HA GLY 4 -11.975 -21.659 -33.832 17 H SER 5 H SER 5 -11.125 -20.386 -32.186 18 HA SER 5 HA SER 5 -8.282 -20.866 -31.573 19 HB2 SER 5 1HB SER 5 -8.811 -18.491 -32.045 20 HB3 SER 5 2HB SER 5 -9.985 -18.508 -30.729 21 HG SER 5 HG SER 5 -8.102 -17.711 -29.893 22 H SER 6 H SER 6 -7.899 -22.080 -29.852 23 HA SER 6 HA SER 6 -9.773 -22.023 -27.600 24 HB2 SER 6 1HB SER 6 -9.541 -24.535 -27.422 25 HB3 SER 6 2HB SER 6 -10.486 -23.970 -28.800 26 HG SER 6 HG SER 6 -9.048 -24.784 -30.101 27 H GLY 7 H GLY 7 -8.675 -21.543 -25.824 28 HA2 GLY 7 1HA GLY 7 -6.588 -22.917 -24.714 29 HA3 GLY 7 2HA GLY 7 -5.810 -21.719 -25.738 30 H GLU 8 H GLU 8 -7.645 -22.270 -22.845 31 HA GLU 8 HA GLU 8 -7.072 -19.506 -22.022 32 HB2 GLU 8 1HB GLU 8 -9.517 -19.935 -22.623 33 HB3 GLU 8 2HB GLU 8 -9.575 -20.969 -21.203 34 HG2 GLU 8 1HG GLU 8 -10.431 -18.726 -20.751 35 HG3 GLU 8 2HG GLU 8 -9.014 -19.106 -19.774 36 H ASP 9 H ASP 9 -6.190 -19.281 -20.046 37 HA ASP 9 HA ASP 9 -5.237 -21.588 -18.681 38 HB2 ASP 9 1HB ASP 9 -5.259 -18.718 -17.723 39 HB3 ASP 9 2HB ASP 9 -4.248 -20.022 -17.105 40 H ASN 10 H ASN 10 -5.678 -22.223 -16.507 41 HA ASN 10 HA ASN 10 -8.449 -22.306 -15.900 42 HB2 ASN 10 1HB ASN 10 -7.189 -24.197 -15.251 43 HB3 ASN 10 2HB ASN 10 -5.980 -23.213 -14.432 44 HD21 ASN 10 1HD2 ASN 10 -6.268 -22.669 -12.342 45 HD22 ASN 10 2HD2 ASN 10 -7.623 -23.158 -11.389 46 H ARG 11 H ARG 11 -9.656 -21.165 -14.479 47 HA ARG 11 HA ARG 11 -8.806 -18.609 -13.666 48 HB2 ARG 11 1HB ARG 11 -11.211 -19.653 -14.015 49 HB3 ARG 11 2HB ARG 11 -11.086 -19.958 -12.288 50 HG2 ARG 11 1HG ARG 11 -10.500 -17.230 -13.336 51 HG3 ARG 11 2HG ARG 11 -12.174 -17.762 -13.168 52 HD2 ARG 11 1HD ARG 11 -11.745 -18.291 -10.803 53 HD3 ARG 11 2HD ARG 11 -10.094 -17.700 -10.985 54 HE ARG 11 HE ARG 11 -10.896 -15.584 -10.741 55 HH11 ARG 11 1HH1 ARG 11 -13.510 -17.642 -11.763 56 HH12 ARG 11 2HH1 ARG 11 -14.711 -16.400 -11.637 57 HH21 ARG 11 1HH2 ARG 11 -12.468 -13.940 -10.570 58 HH22 ARG 11 2HH2 ARG 11 -14.117 -14.294 -10.959 59 H ARG 12 H ARG 12 -7.488 -18.083 -12.064 60 HA ARG 12 HA ARG 12 -7.776 -19.181 -9.438 61 HB2 ARG 12 1HB ARG 12 -6.290 -20.798 -10.923 62 HB3 ARG 12 2HB ARG 12 -5.040 -19.622 -10.543 63 HG2 ARG 12 1HG ARG 12 -5.208 -20.042 -8.229 64 HG3 ARG 12 2HG ARG 12 -6.715 -20.939 -8.428 65 HD2 ARG 12 1HD ARG 12 -4.300 -21.912 -9.862 66 HD3 ARG 12 2HD ARG 12 -4.386 -22.161 -8.119 67 HE ARG 12 HE ARG 12 -6.797 -22.994 -9.314 68 HH11 ARG 12 1HH1 ARG 12 -3.451 -23.917 -9.040 69 HH12 ARG 12 2HH1 ARG 12 -3.766 -25.609 -9.241 70 HH21 ARG 12 1HH2 ARG 12 -7.224 -25.219 -9.579 71 HH22 ARG 12 2HH2 ARG 12 -5.913 -26.348 -9.549 72 HA PRO 13 HA PRO 13 -6.225 -15.153 -8.549 73 HB2 PRO 13 1HB PRO 13 -5.672 -15.503 -5.914 74 HB3 PRO 13 2HB PRO 13 -7.318 -15.346 -6.538 75 HG2 PRO 13 1HG PRO 13 -5.799 -17.818 -5.800 76 HG3 PRO 13 2HG PRO 13 -7.487 -17.398 -5.457 77 HD2 PRO 13 1HD PRO 13 -6.781 -19.067 -7.469 78 HD3 PRO 13 2HD PRO 13 -8.197 -18.001 -7.565 79 H LEU 14 H LEU 14 -4.291 -14.046 -8.130 80 HA LEU 14 HA LEU 14 -1.888 -15.730 -8.271 81 HB2 LEU 14 1HB LEU 14 -2.200 -12.807 -8.936 82 HB3 LEU 14 2HB LEU 14 -0.761 -13.791 -9.194 83 HG LEU 14 HG LEU 14 -3.332 -14.516 -10.544 84 HD11 LEU 14 1HD1 LEU 14 -2.968 -13.049 -12.328 85 HD12 LEU 14 2HD1 LEU 14 -1.346 -12.635 -11.776 86 HD13 LEU 14 3HD1 LEU 14 -2.754 -12.052 -10.888 87 HD21 LEU 14 3HD2 LEU 14 -2.039 -15.835 -11.852 88 HD22 LEU 14 1HD2 LEU 14 -0.974 -15.780 -10.447 89 HD23 LEU 14 2HD2 LEU 14 -0.674 -14.718 -11.823 90 H TRP 15 H TRP 15 -2.948 -12.642 -6.834 91 HA TRP 15 HA TRP 15 -0.801 -12.584 -4.956 92 HB2 TRP 15 1HB TRP 15 -3.357 -11.043 -4.610 93 HB3 TRP 15 2HB TRP 15 -1.714 -10.571 -4.185 94 HD1 TRP 15 HD TRP 15 -3.980 -10.960 -7.282 95 HE1 TRP 15 1HE TRP 15 -3.074 -9.425 -9.139 96 HE3 TRP 15 3HE TRP 15 0.290 -9.342 -4.984 97 HZ2 TRP 15 2HZ TRP 15 -0.843 -7.750 -9.572 98 HZ3 TRP 15 3HZ TRP 15 1.756 -7.775 -6.188 99 HH2 TRP 15 HH TRP 15 1.200 -6.997 -8.435 100 H GLU 16 H GLU 16 -1.671 -12.051 -2.532 101 HA GLU 16 HA GLU 16 -3.106 -14.492 -1.731 102 HB2 GLU 16 1HB GLU 16 -0.915 -12.901 -0.452 103 HB3 GLU 16 2HB GLU 16 -1.989 -13.861 0.555 104 HG2 GLU 16 1HG GLU 16 -0.218 -15.289 0.172 105 HG3 GLU 16 2HG GLU 16 -1.401 -15.797 -1.032 106 HA PRO 17 HA PRO 17 -6.416 -12.178 -0.016 107 HB2 PRO 17 1HB PRO 17 -7.081 -13.709 2.125 108 HB3 PRO 17 2HB PRO 17 -7.420 -14.189 0.458 109 HG2 PRO 17 1HG PRO 17 -5.179 -15.034 2.254 110 HG3 PRO 17 2HG PRO 17 -6.168 -16.019 1.160 111 HD2 PRO 17 1HD PRO 17 -3.676 -15.180 0.513 112 HD3 PRO 17 2HD PRO 17 -4.955 -15.398 -0.699 113 H GLU 18 H GLU 18 -4.248 -13.398 2.548 114 HA GLU 18 HA GLU 18 -4.836 -11.597 4.536 115 HB2 GLU 18 1HB GLU 18 -3.197 -13.603 4.521 116 HB3 GLU 18 2HB GLU 18 -1.995 -12.425 4.013 117 HG2 GLU 18 1HG GLU 18 -2.458 -11.108 6.034 118 HG3 GLU 18 2HG GLU 18 -3.612 -12.337 6.550 119 H GLU 19 H GLU 19 -2.572 -11.190 1.843 120 HA GLU 19 HA GLU 19 -1.642 -8.632 2.659 121 HB2 GLU 19 1HB GLU 19 -1.608 -9.953 -0.060 122 HB3 GLU 19 2HB GLU 19 -0.739 -8.482 0.352 123 HG2 GLU 19 1HG GLU 19 0.755 -9.600 1.735 124 HG3 GLU 19 2HG GLU 19 -0.300 -11.003 1.898 125 H THR 20 H THR 20 -2.100 -6.589 1.732 126 HA THR 20 HA THR 20 -4.897 -6.301 0.963 127 HB THR 20 HB THR 20 -2.886 -4.121 1.549 128 HG1 THR 20 1HG THR 20 -4.492 -5.712 3.212 129 HG21 THR 20 3HG2 THR 20 -4.632 -3.064 0.459 130 HG22 THR 20 1HG2 THR 20 -5.153 -2.963 2.140 131 HG23 THR 20 2HG2 THR 20 -5.839 -4.191 1.076 132 H VAL 21 H VAL 21 -5.397 -6.324 -1.122 133 HA VAL 21 HA VAL 21 -3.475 -5.191 -3.048 134 HB VAL 21 HB VAL 21 -5.595 -7.291 -3.525 135 HG11 VAL 21 1HG1 VAL 21 -4.885 -7.393 -5.773 136 HG12 VAL 21 2HG1 VAL 21 -5.104 -5.678 -5.420 137 HG13 VAL 21 3HG1 VAL 21 -3.482 -6.372 -5.458 138 HG21 VAL 21 3HG2 VAL 21 -3.565 -8.712 -4.029 139 HG22 VAL 21 1HG2 VAL 21 -2.599 -7.439 -3.282 140 HG23 VAL 21 2HG2 VAL 21 -3.813 -8.297 -2.333 141 H VAL 22 H VAL 22 -4.119 -3.600 -4.398 142 HA VAL 22 HA VAL 22 -6.959 -2.815 -4.327 143 HB VAL 22 HB VAL 22 -6.096 -0.439 -4.660 144 HG11 VAL 22 1HG1 VAL 22 -7.122 -1.106 -2.592 145 HG12 VAL 22 2HG1 VAL 22 -5.630 -1.879 -2.052 146 HG13 VAL 22 3HG1 VAL 22 -5.703 -0.125 -2.228 147 HG21 VAL 22 3HG2 VAL 22 -3.837 -0.011 -3.726 148 HG22 VAL 22 1HG2 VAL 22 -3.556 -1.752 -3.702 149 HG23 VAL 22 2HG2 VAL 22 -3.808 -0.920 -5.237 150 H ILE 23 H ILE 23 -7.509 -1.308 -6.188 151 HA ILE 23 HA ILE 23 -6.023 -2.051 -8.618 152 HB ILE 23 HB ILE 23 -9.033 -1.918 -8.425 153 HG12 ILE 23 1HG1 ILE 23 -7.458 -4.421 -8.939 154 HG13 ILE 23 2HG1 ILE 23 -7.752 -3.887 -7.288 155 HG21 ILE 23 1HG2 ILE 23 -7.100 -2.348 -10.650 156 HG22 ILE 23 2HG2 ILE 23 -8.659 -3.170 -10.699 157 HG23 ILE 23 3HG2 ILE 23 -8.593 -1.409 -10.618 158 HD11 ILE 23 3HD1 ILE 23 -10.236 -3.759 -8.509 159 HD12 ILE 23 1HD1 ILE 23 -9.507 -5.239 -9.130 160 HD13 ILE 23 2HD1 ILE 23 -9.664 -4.996 -7.390 161 H ALA 24 H ALA 24 -6.048 -0.539 -10.305 162 HA ALA 24 HA ALA 24 -6.573 2.193 -9.427 163 HB1 ALA 24 3HB ALA 24 -4.947 0.993 -11.636 164 HB2 ALA 24 1HB ALA 24 -5.376 2.703 -11.655 165 HB3 ALA 24 2HB ALA 24 -4.433 2.045 -10.317 166 H LEU 25 H LEU 25 -8.396 3.184 -9.956 167 HA LEU 25 HA LEU 25 -10.306 2.082 -11.726 168 HB2 LEU 25 1HB LEU 25 -10.137 4.898 -10.664 169 HB3 LEU 25 2HB LEU 25 -11.563 4.128 -11.356 170 HG LEU 25 HG LEU 25 -10.286 2.938 -8.933 171 HD11 LEU 25 1HD1 LEU 25 -12.319 5.145 -8.771 172 HD12 LEU 25 2HD1 LEU 25 -10.587 5.425 -8.590 173 HD13 LEU 25 3HD1 LEU 25 -11.433 4.373 -7.456 174 HD21 LEU 25 3HD2 LEU 25 -12.270 2.024 -10.382 175 HD22 LEU 25 1HD2 LEU 25 -13.209 3.197 -9.457 176 HD23 LEU 25 2HD2 LEU 25 -12.321 1.922 -8.621 177 H TYR 26 H TYR 26 -7.940 4.681 -12.056 178 HA TYR 26 HA TYR 26 -8.418 4.638 -14.959 179 HB2 TYR 26 1HB TYR 26 -7.640 7.175 -13.552 180 HB3 TYR 26 2HB TYR 26 -8.376 6.970 -15.137 181 HD1 TYR 26 1HD TYR 26 -10.774 6.613 -15.360 182 HD2 TYR 26 2HD TYR 26 -8.987 7.143 -11.535 183 HE1 TYR 26 1HE TYR 26 -12.997 7.009 -14.383 184 HE2 TYR 26 2HE TYR 26 -11.205 7.538 -10.547 185 HH TYR 26 HH TYR 26 -14.068 7.862 -12.530 186 H ASP 27 H ASP 27 -6.599 5.128 -16.267 187 HA ASP 27 HA ASP 27 -4.134 4.150 -15.200 188 HB2 ASP 27 1HB ASP 27 -3.255 4.600 -17.487 189 HB3 ASP 27 2HB ASP 27 -4.723 3.626 -17.486 190 H TYR 28 H TYR 28 -3.312 5.517 -13.668 191 HA TYR 28 HA TYR 28 -3.134 8.347 -14.064 192 HB2 TYR 28 1HB TYR 28 -3.338 7.431 -11.815 193 HB3 TYR 28 2HB TYR 28 -1.829 6.547 -12.012 194 HD1 TYR 28 2HD TYR 28 -3.137 10.044 -12.168 195 HD2 TYR 28 1HD TYR 28 0.108 7.481 -11.166 196 HE1 TYR 28 2HE TYR 28 -1.899 11.972 -11.273 197 HE2 TYR 28 1HE TYR 28 1.354 9.402 -10.266 198 HH TYR 28 HH TYR 28 1.387 11.605 -9.978 199 H GLN 29 H GLN 29 -1.472 9.547 -14.806 200 HA GLN 29 HA GLN 29 0.954 8.106 -15.655 201 HB2 GLN 29 1HB GLN 29 -0.688 10.203 -17.004 202 HB3 GLN 29 2HB GLN 29 1.045 10.176 -17.301 203 HG2 GLN 29 1HG GLN 29 0.958 8.038 -18.262 204 HG3 GLN 29 2HG GLN 29 -0.664 7.736 -17.639 205 HE21 GLN 29 1HE2 GLN 29 -0.226 7.271 -20.236 206 HE22 GLN 29 2HE2 GLN 29 -0.977 8.479 -21.217 207 H THR 30 H THR 30 2.945 9.062 -15.321 208 HA THR 30 HA THR 30 3.244 11.716 -14.313 209 HB THR 30 HB THR 30 2.422 10.767 -12.249 210 HG1 THR 30 1HG THR 30 5.234 10.861 -11.921 211 HG21 THR 30 3HG2 THR 30 2.804 8.662 -11.626 212 HG22 THR 30 1HG2 THR 30 4.547 8.925 -11.642 213 HG23 THR 30 2HG2 THR 30 3.716 8.435 -13.118 214 H ASN 31 H ASN 31 5.110 12.348 -15.154 215 HA ASN 31 HA ASN 31 7.136 10.376 -15.843 216 HB2 ASN 31 1HB ASN 31 6.267 12.425 -17.277 217 HB3 ASN 31 2HB ASN 31 7.495 13.297 -16.364 218 HD21 ASN 31 1HD2 ASN 31 6.978 10.491 -18.433 219 HD22 ASN 31 2HD2 ASN 31 8.570 10.467 -19.103 220 H ASP 32 H ASP 32 6.840 10.705 -13.099 221 HA ASP 32 HA ASP 32 9.343 12.089 -12.386 222 HB2 ASP 32 1HB ASP 32 6.685 12.042 -11.049 223 HB3 ASP 32 2HB ASP 32 8.112 12.041 -10.016 224 HA PRO 33 HA PRO 33 10.871 8.214 -10.982 225 HB2 PRO 33 1HB PRO 33 12.675 9.073 -9.144 226 HB3 PRO 33 2HB PRO 33 12.933 9.224 -10.886 227 HG2 PRO 33 1HG PRO 33 11.981 11.277 -8.926 228 HG3 PRO 33 2HG PRO 33 13.149 11.450 -10.249 229 HD2 PRO 33 1HD PRO 33 10.576 12.268 -10.460 230 HD3 PRO 33 2HD PRO 33 11.500 11.653 -11.846 231 H GLN 34 H GLN 34 10.245 10.553 -8.360 232 HA GLN 34 HA GLN 34 9.818 8.522 -6.402 233 HB2 GLN 34 1HB GLN 34 9.299 10.287 -4.900 234 HB3 GLN 34 2HB GLN 34 10.582 10.885 -5.943 235 HG2 GLN 34 1HG GLN 34 7.761 11.438 -6.700 236 HG3 GLN 34 2HG GLN 34 8.480 12.350 -5.373 237 HE21 GLN 34 1HE2 GLN 34 9.424 14.168 -5.926 238 HE22 GLN 34 2HE2 GLN 34 10.097 14.543 -7.472 239 H GLU 35 H GLU 35 8.003 9.352 -8.988 240 HA GLU 35 HA GLU 35 5.488 8.651 -7.621 241 HB2 GLU 35 1HB GLU 35 5.982 10.535 -9.918 242 HB3 GLU 35 2HB GLU 35 4.391 9.861 -9.595 243 HG2 GLU 35 1HG GLU 35 4.561 10.813 -7.283 244 HG3 GLU 35 2HG GLU 35 6.019 11.650 -7.814 245 H LEU 36 H LEU 36 4.153 7.143 -8.588 246 HA LEU 36 HA LEU 36 5.343 5.675 -10.848 247 HB2 LEU 36 1HB LEU 36 5.384 4.324 -8.879 248 HB3 LEU 36 2HB LEU 36 3.700 4.701 -8.522 249 HG LEU 36 HG LEU 36 3.312 3.513 -10.855 250 HD11 LEU 36 1HD1 LEU 36 5.128 1.477 -10.403 251 HD12 LEU 36 2HD1 LEU 36 6.085 2.948 -10.233 252 HD13 LEU 36 3HD1 LEU 36 5.175 2.655 -11.715 253 HD21 LEU 36 3HD2 LEU 36 3.896 1.920 -8.365 254 HD22 LEU 36 1HD2 LEU 36 2.784 1.505 -9.669 255 HD23 LEU 36 2HD2 LEU 36 2.431 2.871 -8.611 256 H ALA 37 H ALA 37 4.023 4.982 -12.517 257 HA ALA 37 HA ALA 37 1.476 6.405 -12.730 258 HB1 ALA 37 3HB ALA 37 2.997 4.941 -14.883 259 HB2 ALA 37 1HB ALA 37 1.627 6.032 -15.101 260 HB3 ALA 37 2HB ALA 37 3.171 6.659 -14.522 261 H LEU 38 H LEU 38 -0.147 5.256 -11.856 262 HA LEU 38 HA LEU 38 -0.291 2.470 -11.659 263 HB2 LEU 38 1HB LEU 38 -2.382 4.624 -11.583 264 HB3 LEU 38 2HB LEU 38 -2.792 2.922 -11.383 265 HG LEU 38 HG LEU 38 -0.879 4.422 -9.599 266 HD11 LEU 38 1HD1 LEU 38 -2.812 4.214 -7.957 267 HD12 LEU 38 2HD1 LEU 38 -3.830 3.919 -9.367 268 HD13 LEU 38 3HD1 LEU 38 -2.955 5.442 -9.214 269 HD21 LEU 38 3HD2 LEU 38 -0.318 2.284 -9.143 270 HD22 LEU 38 1HD2 LEU 38 -1.824 1.636 -9.792 271 HD23 LEU 38 2HD2 LEU 38 -1.789 2.329 -8.170 272 H ARG 39 H ARG 39 -1.957 1.072 -12.687 273 HA ARG 39 HA ARG 39 -2.291 1.747 -15.537 274 HB2 ARG 39 1HB ARG 39 -0.581 -0.053 -15.004 275 HB3 ARG 39 2HB ARG 39 -1.925 -1.043 -14.451 276 HG2 ARG 39 1HG ARG 39 -1.512 -1.729 -16.650 277 HG3 ARG 39 2HG ARG 39 -2.937 -0.691 -16.751 278 HD2 ARG 39 1HD ARG 39 -1.735 1.069 -17.698 279 HD3 ARG 39 2HD ARG 39 -0.186 0.423 -17.158 280 HE ARG 39 HE ARG 39 -1.490 -0.143 -19.606 281 HH11 ARG 39 1HH1 ARG 39 0.426 -1.631 -17.109 282 HH12 ARG 39 2HH1 ARG 39 1.100 -2.832 -18.160 283 HH21 ARG 39 1HH2 ARG 39 -0.609 -1.719 -21.000 284 HH22 ARG 39 2HH2 ARG 39 0.511 -2.881 -20.374 285 H ARG 40 H ARG 40 -4.303 1.668 -16.312 286 HA ARG 40 HA ARG 40 -6.528 1.320 -14.647 287 HB2 ARG 40 1HB ARG 40 -6.459 2.630 -16.790 288 HB3 ARG 40 2HB ARG 40 -6.503 1.102 -17.659 289 HG2 ARG 40 1HG ARG 40 -8.670 0.589 -16.662 290 HG3 ARG 40 2HG ARG 40 -8.624 2.115 -15.777 291 HD2 ARG 40 1HD ARG 40 -8.526 3.320 -17.930 292 HD3 ARG 40 2HD ARG 40 -8.664 1.778 -18.773 293 HE ARG 40 HE ARG 40 -10.790 2.244 -16.905 294 HH11 ARG 40 1HH1 ARG 40 -9.661 2.840 -20.144 295 HH12 ARG 40 2HH1 ARG 40 -11.250 3.082 -20.792 296 HH21 ARG 40 1HH2 ARG 40 -12.886 2.562 -17.747 297 HH22 ARG 40 2HH2 ARG 40 -13.083 2.925 -19.428 298 H ASN 41 H ASN 41 -7.663 -0.411 -14.036 299 HA ASN 41 HA ASN 41 -8.392 -2.556 -13.837 300 HB2 ASN 41 1HB ASN 41 -7.482 -2.849 -16.709 301 HB3 ASN 41 2HB ASN 41 -8.571 -3.933 -15.848 302 HD21 ASN 41 1HD2 ASN 41 -8.908 -2.270 -18.283 303 HD22 ASN 41 2HD2 ASN 41 -10.319 -1.319 -17.984 304 H GLU 42 H GLU 42 -6.039 -2.149 -12.675 305 HA GLU 42 HA GLU 42 -4.675 -4.696 -13.075 306 HB2 GLU 42 1HB GLU 42 -3.451 -2.010 -13.463 307 HB3 GLU 42 2HB GLU 42 -2.484 -3.236 -12.655 308 HG2 GLU 42 1HG GLU 42 -3.835 -3.940 -15.208 309 HG3 GLU 42 2HG GLU 42 -2.397 -2.921 -15.256 310 H GLU 43 H GLU 43 -4.018 -5.622 -11.209 311 HA GLU 43 HA GLU 43 -4.836 -4.394 -8.741 312 HB2 GLU 43 1HB GLU 43 -3.511 -7.034 -9.367 313 HB3 GLU 43 2HB GLU 43 -3.933 -6.529 -7.737 314 HG2 GLU 43 1HG GLU 43 -6.190 -6.732 -8.107 315 HG3 GLU 43 2HG GLU 43 -6.031 -6.523 -9.851 316 H TYR 44 H TYR 44 -3.483 -4.018 -6.917 317 HA TYR 44 HA TYR 44 -0.608 -3.921 -7.349 318 HB2 TYR 44 1HB TYR 44 -2.296 -1.467 -6.860 319 HB3 TYR 44 2HB TYR 44 -0.565 -1.511 -6.544 320 HD1 TYR 44 1HD TYR 44 -3.110 -1.871 -9.218 321 HD2 TYR 44 2HD TYR 44 0.991 -1.217 -8.290 322 HE1 TYR 44 1HE TYR 44 -2.673 -1.309 -11.572 323 HE2 TYR 44 2HE TYR 44 1.439 -0.651 -10.642 324 HH TYR 44 HH TYR 44 0.587 -0.416 -12.673 325 H CYS 45 H CYS 45 0.425 -4.508 -5.558 326 HA CYS 45 HA CYS 45 -1.040 -5.002 -3.143 327 HB2 CYS 45 1HB CYS 45 0.777 -6.491 -3.953 328 HB3 CYS 45 2HB CYS 45 1.937 -5.205 -3.642 329 HG CYS 45 HG CYS 45 0.463 -5.443 -0.847 330 H LEU 46 H LEU 46 -1.116 -3.829 -1.316 331 HA LEU 46 HA LEU 46 -0.055 -1.147 -1.373 332 HB2 LEU 46 1HB LEU 46 -2.311 -1.638 -0.524 333 HB3 LEU 46 2HB LEU 46 -1.599 -2.586 0.781 334 HG LEU 46 HG LEU 46 -0.448 -0.442 1.512 335 HD11 LEU 46 1HD1 LEU 46 -2.586 0.981 -0.010 336 HD12 LEU 46 2HD1 LEU 46 -1.044 0.622 -0.786 337 HD13 LEU 46 3HD1 LEU 46 -1.086 1.607 0.675 338 HD21 LEU 46 3HD2 LEU 46 -3.320 0.098 1.770 339 HD22 LEU 46 1HD2 LEU 46 -2.095 -0.168 3.011 340 HD23 LEU 46 2HD2 LEU 46 -2.835 -1.545 2.194 341 H LEU 47 H LEU 47 2.050 -0.910 -0.949 342 HA LEU 47 HA LEU 47 3.556 -2.656 0.700 343 HB2 LEU 47 1HB LEU 47 4.200 0.138 -0.230 344 HB3 LEU 47 2HB LEU 47 5.350 -1.005 0.461 345 HG LEU 47 HG LEU 47 3.863 -1.469 -2.121 346 HD11 LEU 47 1HD1 LEU 47 6.279 -1.048 -3.013 347 HD12 LEU 47 2HD1 LEU 47 6.446 -0.095 -1.539 348 HD13 LEU 47 3HD1 LEU 47 5.194 0.309 -2.713 349 HD21 LEU 47 3HD2 LEU 47 5.389 -3.264 -2.458 350 HD22 LEU 47 1HD2 LEU 47 4.713 -3.451 -0.840 351 HD23 LEU 47 2HD2 LEU 47 6.341 -2.803 -1.046 352 H ASP 48 H ASP 48 2.607 0.749 1.189 353 HA ASP 48 HA ASP 48 2.116 0.262 3.990 354 HB2 ASP 48 1HB ASP 48 4.613 0.642 3.798 355 HB3 ASP 48 2HB ASP 48 4.243 2.280 3.266 356 H SER 49 H SER 49 0.698 1.706 4.848 357 HA SER 49 HA SER 49 -0.300 3.772 3.019 358 HB2 SER 49 1HB SER 49 -2.345 3.728 4.417 359 HB3 SER 49 2HB SER 49 -1.964 2.141 3.751 360 HG SER 49 HG SER 49 -1.266 1.474 5.723 361 H SER 50 H SER 50 2.082 4.278 4.453 362 HA SER 50 HA SER 50 1.967 5.555 6.855 363 HB2 SER 50 1HB SER 50 3.783 7.082 5.938 364 HB3 SER 50 2HB SER 50 4.082 5.351 5.776 365 HG SER 50 HG SER 50 4.485 6.056 3.786 366 H GLU 51 H GLU 51 1.221 7.005 3.696 367 HA GLU 51 HA GLU 51 0.072 9.324 5.084 368 HB2 GLU 51 1HB GLU 51 1.274 8.899 2.397 369 HB3 GLU 51 2HB GLU 51 -0.016 10.086 2.524 370 HG2 GLU 51 1HG GLU 51 2.415 10.111 4.288 371 HG3 GLU 51 2HG GLU 51 2.324 10.970 2.751 372 H ILE 52 H ILE 52 -1.776 10.300 3.519 373 HA ILE 52 HA ILE 52 -3.747 8.129 3.242 374 HB ILE 52 HB ILE 52 -4.219 11.062 3.787 375 HG12 ILE 52 1HG1 ILE 52 -4.694 8.658 5.559 376 HG13 ILE 52 2HG1 ILE 52 -3.305 9.730 5.692 377 HG21 ILE 52 1HG2 ILE 52 -6.071 8.783 3.219 378 HG22 ILE 52 2HG2 ILE 52 -6.591 10.129 4.233 379 HG23 ILE 52 3HG2 ILE 52 -6.084 10.423 2.569 380 HD11 ILE 52 3HD1 ILE 52 -4.639 10.644 7.277 381 HD12 ILE 52 1HD1 ILE 52 -5.202 11.560 5.879 382 HD13 ILE 52 2HD1 ILE 52 -6.128 10.174 6.458 383 H HIS 53 H HIS 53 -2.796 11.258 1.836 384 HA HIS 53 HA HIS 53 -4.398 10.939 -0.498 385 HB2 HIS 53 1HB HIS 53 -1.981 12.725 -0.301 386 HB3 HIS 53 2HB HIS 53 -3.441 12.962 -1.257 387 HD1 HIS 53 1HD HIS 53 -5.620 13.646 0.106 388 HD2 HIS 53 2HD HIS 53 -2.051 13.787 2.229 389 HE1 HIS 53 1HE HIS 53 -6.112 15.013 2.158 390 HE2 HIS 53 2HE HIS 53 -3.917 15.157 3.384 391 H TRP 54 H TRP 54 -0.955 10.471 0.203 392 HA TRP 54 HA TRP 54 -0.687 9.115 -2.398 393 HB2 TRP 54 1HB TRP 54 1.539 10.289 -0.724 394 HB3 TRP 54 2HB TRP 54 1.660 9.665 -2.366 395 HD1 TRP 54 HD TRP 54 1.113 12.815 -0.489 396 HE1 TRP 54 1HE TRP 54 0.475 14.718 -2.100 397 HE3 TRP 54 3HE TRP 54 0.163 10.046 -4.680 398 HZ2 TRP 54 2HZ TRP 54 -0.326 15.007 -4.791 399 HZ3 TRP 54 3HZ TRP 54 -0.535 11.213 -6.731 400 HH2 TRP 54 HH TRP 54 -0.774 13.642 -6.783 401 H TRP 55 H TRP 55 -0.585 6.980 -2.288 402 HA TRP 55 HA TRP 55 0.390 5.738 0.195 403 HB2 TRP 55 1HB TRP 55 -1.648 4.922 -1.837 404 HB3 TRP 55 2HB TRP 55 -0.800 3.673 -0.930 405 HD1 TRP 55 HD TRP 55 -1.057 6.393 1.421 406 HE1 TRP 55 1HE TRP 55 -3.105 6.143 2.960 407 HE3 TRP 55 3HE TRP 55 -3.632 2.856 -1.223 408 HZ2 TRP 55 2HZ TRP 55 -5.495 4.643 3.043 409 HZ3 TRP 55 3HZ TRP 55 -5.791 2.066 -0.345 410 HH2 TRP 55 HH TRP 55 -6.701 2.942 1.744 411 H ARG 56 H ARG 56 1.634 3.749 -0.010 412 HA ARG 56 HA ARG 56 3.406 3.857 -2.349 413 HB2 ARG 56 1HB ARG 56 4.248 4.087 0.091 414 HB3 ARG 56 2HB ARG 56 3.997 2.349 0.181 415 HG2 ARG 56 1HG ARG 56 5.583 1.961 -1.564 416 HG3 ARG 56 2HG ARG 56 5.725 3.691 -1.883 417 HD2 ARG 56 1HD ARG 56 6.473 3.866 0.572 418 HD3 ARG 56 2HD ARG 56 6.709 2.121 0.476 419 HE ARG 56 HE ARG 56 8.057 3.090 -1.680 420 HH11 ARG 56 1HH1 ARG 56 8.131 3.743 1.738 421 HH12 ARG 56 2HH1 ARG 56 9.811 4.168 1.753 422 HH21 ARG 56 1HH2 ARG 56 10.269 3.647 -1.674 423 HH22 ARG 56 2HH2 ARG 56 11.025 4.114 -0.189 424 H VAL 57 H VAL 57 3.028 2.399 -3.872 425 HA VAL 57 HA VAL 57 2.249 -0.321 -3.061 426 HB VAL 57 HB VAL 57 0.706 -0.528 -4.868 427 HG11 VAL 57 1HG1 VAL 57 0.177 2.164 -3.622 428 HG12 VAL 57 2HG1 VAL 57 -1.010 1.007 -4.228 429 HG13 VAL 57 3HG1 VAL 57 -0.062 0.629 -2.789 430 HG21 VAL 57 3HG2 VAL 57 1.818 0.682 -6.601 431 HG22 VAL 57 1HG2 VAL 57 0.230 1.415 -6.375 432 HG23 VAL 57 2HG2 VAL 57 1.666 2.200 -5.717 433 H GLN 58 H GLN 58 2.534 -1.880 -4.973 434 HA GLN 58 HA GLN 58 4.831 -1.143 -6.637 435 HB2 GLN 58 1HB GLN 58 5.759 -2.268 -4.682 436 HB3 GLN 58 2HB GLN 58 4.662 -3.623 -4.917 437 HG2 GLN 58 1HG GLN 58 5.804 -4.396 -6.775 438 HG3 GLN 58 2HG GLN 58 6.573 -2.838 -7.074 439 HE21 GLN 58 1HE2 GLN 58 8.518 -2.429 -6.205 440 HE22 GLN 58 2HE2 GLN 58 9.374 -3.506 -5.161 441 H ASP 59 H ASP 59 4.779 -1.955 -8.662 442 HA ASP 59 HA ASP 59 2.366 -3.229 -9.544 443 HB2 ASP 59 1HB ASP 59 3.315 -1.620 -11.022 444 HB3 ASP 59 2HB ASP 59 4.895 -2.396 -10.963 445 H ARG 60 H ARG 60 2.479 -5.153 -11.038 446 HA ARG 60 HA ARG 60 3.500 -7.373 -9.637 447 HB2 ARG 60 1HB ARG 60 2.752 -8.696 -11.554 448 HB3 ARG 60 2HB ARG 60 1.534 -7.516 -11.091 449 HG2 ARG 60 1HG ARG 60 1.774 -6.305 -13.003 450 HG3 ARG 60 2HG ARG 60 3.470 -6.750 -13.203 451 HD2 ARG 60 1HD ARG 60 2.515 -9.135 -13.613 452 HD3 ARG 60 2HD ARG 60 1.007 -8.280 -13.935 453 HE ARG 60 HE ARG 60 3.064 -7.083 -15.420 454 HH11 ARG 60 1HH1 ARG 60 1.241 -10.046 -15.280 455 HH12 ARG 60 2HH1 ARG 60 1.392 -10.372 -16.975 456 HH21 ARG 60 1HH2 ARG 60 3.269 -7.501 -17.653 457 HH22 ARG 60 2HH2 ARG 60 2.546 -8.924 -18.324 458 H ASN 61 H ASN 61 4.834 -5.362 -12.127 459 HA ASN 61 HA ASN 61 6.872 -7.200 -12.949 460 HB2 ASN 61 1HB ASN 61 6.546 -4.223 -13.367 461 HB3 ASN 61 2HB ASN 61 7.847 -5.175 -14.076 462 HD21 ASN 61 1HD2 ASN 61 7.458 -6.392 -15.847 463 HD22 ASN 61 2HD2 ASN 61 5.937 -6.451 -16.665 464 H GLY 62 H GLY 62 6.861 -4.241 -10.961 465 HA2 GLY 62 1HA GLY 62 8.264 -4.774 -8.831 466 HA3 GLY 62 2HA GLY 62 9.555 -4.920 -10.014 467 H HIS 63 H HIS 63 6.932 -2.590 -10.201 468 HA HIS 63 HA HIS 63 8.896 -0.448 -9.710 469 HB2 HIS 63 1HB HIS 63 6.470 -0.075 -11.442 470 HB3 HIS 63 2HB HIS 63 7.963 0.858 -11.416 471 HD1 HIS 63 1HD HIS 63 6.672 -0.486 -13.982 472 HD2 HIS 63 2HD HIS 63 9.847 -1.988 -11.761 473 HE1 HIS 63 1HE HIS 63 7.931 -2.000 -15.547 474 HE2 HIS 63 2HE HIS 63 9.798 -2.962 -14.157 475 H GLU 64 H GLU 64 8.465 0.853 -8.058 476 HA GLU 64 HA GLU 64 5.678 1.065 -7.127 477 HB2 GLU 64 1HB GLU 64 6.806 1.415 -4.814 478 HB3 GLU 64 2HB GLU 64 6.621 -0.218 -5.438 479 HG2 GLU 64 1HG GLU 64 8.790 -0.161 -4.605 480 HG3 GLU 64 2HG GLU 64 8.989 0.042 -6.344 481 H GLY 65 H GLY 65 5.616 2.998 -5.425 482 HA2 GLY 65 1HA GLY 65 7.226 5.194 -5.490 483 HA3 GLY 65 2HA GLY 65 6.278 5.338 -6.963 484 H TYR 66 H TYR 66 5.102 7.123 -6.393 485 HA TYR 66 HA TYR 66 3.278 6.782 -4.102 486 HB2 TYR 66 1HB TYR 66 4.618 9.277 -5.143 487 HB3 TYR 66 2HB TYR 66 3.237 9.326 -4.053 488 HD1 TYR 66 1HD TYR 66 3.827 7.142 -2.192 489 HD2 TYR 66 2HD TYR 66 6.429 10.042 -3.902 490 HE1 TYR 66 1HE TYR 66 5.337 6.916 -0.264 491 HE2 TYR 66 2HE TYR 66 7.946 9.823 -1.979 492 HH TYR 66 HH TYR 66 7.801 7.307 0.201 493 H VAL 67 H VAL 67 1.182 6.764 -4.569 494 HA VAL 67 HA VAL 67 0.239 8.101 -7.006 495 HB VAL 67 HB VAL 67 -1.337 6.127 -7.342 496 HG11 VAL 67 1HG1 VAL 67 1.565 6.229 -7.944 497 HG12 VAL 67 2HG1 VAL 67 0.711 4.726 -8.300 498 HG13 VAL 67 3HG1 VAL 67 0.179 6.239 -9.034 499 HG21 VAL 67 3HG2 VAL 67 -0.482 5.230 -4.991 500 HG22 VAL 67 1HG2 VAL 67 -1.032 4.143 -6.266 501 HG23 VAL 67 2HG2 VAL 67 0.693 4.412 -6.020 502 HA PRO 68 HA PRO 68 -3.036 9.589 -4.487 503 HB2 PRO 68 1HB PRO 68 -5.027 9.823 -6.318 504 HB3 PRO 68 2HB PRO 68 -3.637 10.913 -6.266 505 HG2 PRO 68 1HG PRO 68 -4.123 8.545 -8.033 506 HG3 PRO 68 2HG PRO 68 -3.463 10.137 -8.452 507 HD2 PRO 68 1HD PRO 68 -1.894 7.962 -8.072 508 HD3 PRO 68 2HD PRO 68 -1.358 9.607 -7.674 509 H SER 69 H SER 69 -3.824 8.197 -3.010 510 HA SER 69 HA SER 69 -4.730 5.651 -3.284 511 HB2 SER 69 1HB SER 69 -5.934 5.928 -1.204 512 HB3 SER 69 2HB SER 69 -4.451 6.878 -1.122 513 HG SER 69 HG SER 69 -7.076 7.821 -1.633 514 H SER 70 H SER 70 -6.543 8.605 -3.896 515 HA SER 70 HA SER 70 -9.118 7.784 -4.077 516 HB2 SER 70 1HB SER 70 -7.644 9.565 -6.030 517 HB3 SER 70 2HB SER 70 -9.399 9.424 -5.943 518 HG SER 70 HG SER 70 -7.649 10.756 -4.288 519 H TYR 71 H TYR 71 -6.596 7.228 -6.496 520 HA TYR 71 HA TYR 71 -8.316 5.930 -8.359 521 HB2 TYR 71 1HB TYR 71 -5.325 6.102 -8.062 522 HB3 TYR 71 2HB TYR 71 -6.071 5.110 -9.310 523 HD1 TYR 71 1HD TYR 71 -6.855 8.521 -7.994 524 HD2 TYR 71 2HD TYR 71 -5.804 6.139 -11.359 525 HE1 TYR 71 1HE TYR 71 -7.043 10.498 -9.444 526 HE2 TYR 71 2HE TYR 71 -5.988 8.111 -12.819 527 HH TYR 71 HH TYR 71 -7.537 10.616 -12.339 528 H LEU 72 H LEU 72 -6.199 4.832 -5.767 529 HA LEU 72 HA LEU 72 -6.429 2.058 -6.358 530 HB2 LEU 72 1HB LEU 72 -5.639 3.517 -3.845 531 HB3 LEU 72 2HB LEU 72 -5.558 1.767 -4.031 532 HG LEU 72 HG LEU 72 -3.975 3.798 -5.605 533 HD11 LEU 72 1HD1 LEU 72 -2.054 2.765 -4.419 534 HD12 LEU 72 2HD1 LEU 72 -3.202 1.881 -3.413 535 HD13 LEU 72 3HD1 LEU 72 -3.156 3.643 -3.357 536 HD21 LEU 72 3HD2 LEU 72 -4.619 1.034 -6.123 537 HD22 LEU 72 1HD2 LEU 72 -2.882 1.253 -5.910 538 HD23 LEU 72 2HD2 LEU 72 -3.748 2.193 -7.127 539 H VAL 73 H VAL 73 -7.917 0.596 -5.756 540 HA VAL 73 HA VAL 73 -10.001 1.443 -3.854 541 HB VAL 73 HB VAL 73 -11.729 0.589 -5.157 542 HG11 VAL 73 1HG1 VAL 73 -11.665 2.218 -6.664 543 HG12 VAL 73 2HG1 VAL 73 -9.943 2.415 -6.332 544 HG13 VAL 73 3HG1 VAL 73 -10.476 1.336 -7.622 545 HG21 VAL 73 3HG2 VAL 73 -10.944 -1.568 -5.707 546 HG22 VAL 73 1HG2 VAL 73 -11.255 -0.770 -7.248 547 HG23 VAL 73 2HG2 VAL 73 -9.602 -0.924 -6.654 548 H GLU 74 H GLU 74 -10.471 0.037 -2.271 549 HA GLU 74 HA GLU 74 -8.834 -2.214 -1.819 550 HB2 GLU 74 1HB GLU 74 -10.194 -0.734 -0.153 551 HB3 GLU 74 2HB GLU 74 -11.492 -1.875 -0.475 552 HG2 GLU 74 1HG GLU 74 -9.592 -3.630 0.071 553 HG3 GLU 74 2HG GLU 74 -8.935 -2.264 0.971 554 H LYS 75 H LYS 75 -8.904 -3.944 -3.107 555 HA LYS 75 HA LYS 75 -11.037 -4.810 -4.656 556 HB2 LYS 75 1HB LYS 75 -8.654 -5.539 -4.882 557 HB3 LYS 75 2HB LYS 75 -8.881 -6.568 -3.474 558 HG2 LYS 75 1HG LYS 75 -10.507 -7.896 -4.631 559 HG3 LYS 75 2HG LYS 75 -10.487 -6.794 -6.010 560 HD2 LYS 75 1HD LYS 75 -8.361 -7.476 -6.679 561 HD3 LYS 75 2HD LYS 75 -7.978 -8.158 -5.096 562 HE2 LYS 75 1HE LYS 75 -9.798 -9.854 -5.526 563 HE3 LYS 75 2HE LYS 75 -9.849 -9.257 -7.184 564 HZ1 LYS 75 3HZ LYS 75 -7.538 -9.863 -7.452 565 HZ2 LYS 75 1HZ LYS 75 -8.431 -11.212 -6.957 566 HZ3 LYS 75 2HZ LYS 75 -7.452 -10.393 -5.848 567 H SER 76 H SER 76 -12.973 -5.501 -4.054 568 HA SER 76 HA SER 76 -13.980 -5.991 -1.621 569 HB2 SER 76 1HB SER 76 -14.632 -7.510 -4.155 570 HB3 SER 76 2HB SER 76 -15.616 -7.566 -2.693 571 HG SER 76 HG SER 76 -15.435 -5.088 -3.023 572 HA PRO 77 HA PRO 77 -12.032 -9.519 0.142 573 HB2 PRO 77 1HB PRO 77 -13.968 -10.265 1.893 574 HB3 PRO 77 2HB PRO 77 -12.947 -8.843 2.138 575 HG2 PRO 77 1HG PRO 77 -15.737 -9.009 1.065 576 HG3 PRO 77 2HG PRO 77 -15.049 -7.851 2.218 577 HD2 PRO 77 1HD PRO 77 -15.409 -7.261 -0.399 578 HD3 PRO 77 2HD PRO 77 -14.076 -6.583 0.558 579 H ASN 78 H ASN 78 -13.088 -11.818 1.044 580 HA ASN 78 HA ASN 78 -14.605 -12.964 -1.198 581 HB2 ASN 78 1HB ASN 78 -12.017 -13.951 -0.017 582 HB3 ASN 78 2HB ASN 78 -13.116 -15.042 -0.855 583 HD21 ASN 78 1HD2 ASN 78 -10.415 -14.248 -1.556 584 HD22 ASN 78 2HD2 ASN 78 -10.510 -13.542 -3.130 585 H ASN 79 H ASN 79 -13.362 -13.583 2.080 586 HA ASN 79 HA ASN 79 -14.268 -14.632 3.882 587 HB2 ASN 79 1HB ASN 79 -16.047 -12.843 3.322 588 HB3 ASN 79 2HB ASN 79 -16.991 -14.185 2.681 589 HD21 ASN 79 1HD2 ASN 79 -18.594 -13.985 4.212 590 HD22 ASN 79 2HD2 ASN 79 -18.360 -14.414 5.869 591 H LEU 80 H LEU 80 -13.399 -16.341 1.930 592 HA LEU 80 HA LEU 80 -15.484 -18.370 1.608 593 HB2 LEU 80 1HB LEU 80 -13.773 -17.518 -0.207 594 HB3 LEU 80 2HB LEU 80 -12.719 -18.708 0.554 595 HG LEU 80 HG LEU 80 -13.927 -19.499 -1.493 596 HD11 LEU 80 1HD1 LEU 80 -13.268 -21.369 -0.456 597 HD12 LEU 80 2HD1 LEU 80 -14.962 -21.524 0.010 598 HD13 LEU 80 3HD1 LEU 80 -13.804 -20.799 1.125 599 HD21 LEU 80 3HD2 LEU 80 -16.175 -19.587 -1.648 600 HD22 LEU 80 1HD2 LEU 80 -16.099 -18.279 -0.467 601 HD23 LEU 80 2HD2 LEU 80 -16.389 -19.935 0.068 602 H GLU 81 H GLU 81 -15.679 -19.808 3.185 603 HA GLU 81 HA GLU 81 -13.597 -20.308 5.081 604 HB2 GLU 81 1HB GLU 81 -16.267 -21.648 4.629 605 HB3 GLU 81 2HB GLU 81 -15.190 -22.030 5.965 606 HG2 GLU 81 1HG GLU 81 -15.520 -19.973 6.987 607 HG3 GLU 81 2HG GLU 81 -16.119 -19.226 5.508 608 H THR 82 H THR 82 -11.832 -21.197 4.070 609 HA THR 82 HA THR 82 -12.190 -23.649 2.518 610 HB THR 82 HB THR 82 -9.601 -22.181 3.023 611 HG1 THR 82 1HG THR 82 -11.649 -21.743 1.126 612 HG21 THR 82 3HG2 THR 82 -10.390 -24.549 1.521 613 HG22 THR 82 1HG2 THR 82 -8.785 -24.000 2.000 614 HG23 THR 82 2HG2 THR 82 -9.532 -23.367 0.533 615 H TYR 83 H TYR 83 -12.520 -23.491 5.474 616 HA TYR 83 HA TYR 83 -10.296 -25.175 6.377 617 HB2 TYR 83 1HB TYR 83 -12.411 -23.600 7.828 618 HB3 TYR 83 2HB TYR 83 -11.473 -24.843 8.649 619 HD1 TYR 83 2HD TYR 83 -10.651 -22.109 6.227 620 HD2 TYR 83 1HD TYR 83 -9.830 -23.938 9.980 621 HE1 TYR 83 2HE TYR 83 -8.848 -20.482 6.620 622 HE2 TYR 83 1HE TYR 83 -8.026 -22.315 10.384 623 HH TYR 83 HH TYR 83 -6.472 -20.801 8.560 624 H GLU 84 H GLU 84 -10.526 -27.298 6.638 625 HA GLU 84 HA GLU 84 -13.236 -28.428 6.452 626 HB2 GLU 84 1HB GLU 84 -11.362 -28.974 4.729 627 HB3 GLU 84 2HB GLU 84 -10.729 -30.012 5.998 628 HG2 GLU 84 1HG GLU 84 -12.058 -31.351 4.560 629 HG3 GLU 84 2HG GLU 84 -12.939 -31.154 6.075 630 H TRP 85 H TRP 85 -13.668 -28.218 8.685 631 HA TRP 85 HA TRP 85 -12.047 -29.099 10.769 632 HB2 TRP 85 1HB TRP 85 -14.312 -27.799 10.794 633 HB3 TRP 85 2HB TRP 85 -15.029 -29.405 10.900 634 HD1 TRP 85 HD TRP 85 -13.883 -30.941 13.046 635 HE1 TRP 85 1HE TRP 85 -13.486 -30.129 15.456 636 HE3 TRP 85 3HE TRP 85 -13.904 -25.896 12.217 637 HZ2 TRP 85 2HZ TRP 85 -13.218 -27.675 16.825 638 HZ3 TRP 85 3HZ TRP 85 -13.571 -24.385 14.130 639 HH2 TRP 85 HH TRP 85 -13.236 -25.258 16.385 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -22.249 -42.004 -28.895 2 HA2 GLY 1 1HA GLY 1 -23.219 -40.768 -26.466 3 HA3 GLY 1 2HA GLY 1 -21.541 -41.285 -26.391 4 H SER 2 H SER 2 -21.039 -39.027 -26.068 5 HA SER 2 HA SER 2 -20.603 -37.681 -28.613 6 HB2 SER 2 1HB SER 2 -22.262 -36.562 -26.369 7 HB3 SER 2 2HB SER 2 -21.370 -35.488 -27.447 8 HG SER 2 HG SER 2 -23.428 -37.316 -28.098 9 H SER 3 H SER 3 -18.615 -36.866 -28.699 10 HA SER 3 HA SER 3 -17.319 -35.758 -26.373 11 HB2 SER 3 1HB SER 3 -16.476 -38.394 -27.544 12 HB3 SER 3 2HB SER 3 -15.285 -37.329 -26.799 13 HG SER 3 HG SER 3 -17.624 -38.369 -25.572 14 H GLY 4 H GLY 4 -14.953 -35.161 -26.993 15 HA2 GLY 4 1HA GLY 4 -13.844 -34.909 -29.415 16 HA3 GLY 4 2HA GLY 4 -15.136 -33.722 -29.511 17 H SER 5 H SER 5 -15.189 -32.117 -27.672 18 HA SER 5 HA SER 5 -12.425 -31.307 -27.056 19 HB2 SER 5 1HB SER 5 -13.137 -29.032 -27.112 20 HB3 SER 5 2HB SER 5 -13.843 -29.802 -28.533 21 HG SER 5 HG SER 5 -15.717 -30.143 -26.982 22 H SER 6 H SER 6 -11.883 -30.632 -24.996 23 HA SER 6 HA SER 6 -13.937 -30.921 -22.914 24 HB2 SER 6 1HB SER 6 -11.128 -31.965 -22.563 25 HB3 SER 6 2HB SER 6 -12.534 -32.260 -21.541 26 HG SER 6 HG SER 6 -13.112 -33.827 -22.817 27 H GLY 7 H GLY 7 -10.474 -30.096 -23.224 28 HA2 GLY 7 1HA GLY 7 -9.253 -28.404 -22.247 29 HA3 GLY 7 2HA GLY 7 -10.594 -27.399 -22.776 30 H GLU 8 H GLU 8 -9.180 -29.133 -20.098 31 HA GLU 8 HA GLU 8 -11.238 -28.585 -18.217 32 HB2 GLU 8 1HB GLU 8 -8.404 -29.522 -18.051 33 HB3 GLU 8 2HB GLU 8 -9.208 -28.981 -16.584 34 HG2 GLU 8 1HG GLU 8 -9.246 -31.497 -17.300 35 HG3 GLU 8 2HG GLU 8 -10.653 -30.741 -16.554 36 H ASP 9 H ASP 9 -11.592 -26.861 -16.945 37 HA ASP 9 HA ASP 9 -9.718 -24.602 -17.185 38 HB2 ASP 9 1HB ASP 9 -12.708 -24.715 -16.881 39 HB3 ASP 9 2HB ASP 9 -11.808 -23.265 -16.442 40 H ASN 10 H ASN 10 -8.464 -24.462 -15.444 41 HA ASN 10 HA ASN 10 -9.629 -25.068 -12.812 42 HB2 ASN 10 1HB ASN 10 -6.705 -24.939 -13.581 43 HB3 ASN 10 2HB ASN 10 -7.358 -25.463 -12.032 44 HD21 ASN 10 1HD2 ASN 10 -6.197 -26.479 -14.946 45 HD22 ASN 10 2HD2 ASN 10 -6.845 -28.081 -14.965 46 H ARG 11 H ARG 11 -10.537 -23.100 -12.306 47 HA ARG 11 HA ARG 11 -9.272 -20.602 -12.683 48 HB2 ARG 11 1HB ARG 11 -11.744 -21.031 -12.302 49 HB3 ARG 11 2HB ARG 11 -11.360 -21.226 -10.597 50 HG2 ARG 11 1HG ARG 11 -10.479 -18.753 -12.002 51 HG3 ARG 11 2HG ARG 11 -12.172 -18.927 -11.535 52 HD2 ARG 11 1HD ARG 11 -11.504 -19.311 -9.221 53 HD3 ARG 11 2HD ARG 11 -9.807 -19.179 -9.681 54 HE ARG 11 HE ARG 11 -11.152 -16.845 -10.470 55 HH11 ARG 11 1HH1 ARG 11 -10.116 -18.497 -7.586 56 HH12 ARG 11 2HH1 ARG 11 -9.948 -17.044 -6.657 57 HH21 ARG 11 1HH2 ARG 11 -10.935 -14.925 -9.258 58 HH22 ARG 11 2HH2 ARG 11 -10.415 -15.013 -7.609 59 H ARG 12 H ARG 12 -7.885 -19.462 -11.455 60 HA ARG 12 HA ARG 12 -7.442 -20.101 -8.676 61 HB2 ARG 12 1HB ARG 12 -6.038 -21.769 -9.867 62 HB3 ARG 12 2HB ARG 12 -5.182 -20.449 -10.653 63 HG2 ARG 12 1HG ARG 12 -4.529 -19.634 -8.379 64 HG3 ARG 12 2HG ARG 12 -5.212 -21.124 -7.724 65 HD2 ARG 12 1HD ARG 12 -3.673 -22.298 -9.441 66 HD3 ARG 12 2HD ARG 12 -2.823 -20.755 -9.491 67 HE ARG 12 HE ARG 12 -3.193 -21.646 -6.818 68 HH11 ARG 12 1HH1 ARG 12 -1.265 -22.153 -9.672 69 HH12 ARG 12 2HH1 ARG 12 0.113 -22.732 -8.797 70 HH21 ARG 12 1HH2 ARG 12 -1.385 -22.406 -5.654 71 HH22 ARG 12 2HH2 ARG 12 0.044 -22.876 -6.512 72 HA PRO 13 HA PRO 13 -6.628 -15.769 -8.669 73 HB2 PRO 13 1HB PRO 13 -5.491 -15.578 -6.211 74 HB3 PRO 13 2HB PRO 13 -7.226 -15.820 -6.451 75 HG2 PRO 13 1HG PRO 13 -5.107 -17.829 -5.791 76 HG3 PRO 13 2HG PRO 13 -6.740 -17.664 -5.120 77 HD2 PRO 13 1HD PRO 13 -6.125 -19.489 -7.024 78 HD3 PRO 13 2HD PRO 13 -7.722 -18.720 -6.918 79 H LEU 14 H LEU 14 -4.795 -14.233 -8.265 80 HA LEU 14 HA LEU 14 -2.265 -15.456 -9.139 81 HB2 LEU 14 1HB LEU 14 -2.769 -12.540 -9.410 82 HB3 LEU 14 2HB LEU 14 -1.820 -13.619 -10.430 83 HG LEU 14 HG LEU 14 -3.657 -12.919 -11.733 84 HD11 LEU 14 1HD1 LEU 14 -3.268 -15.598 -11.069 85 HD12 LEU 14 2HD1 LEU 14 -4.068 -14.958 -12.504 86 HD13 LEU 14 3HD1 LEU 14 -5.017 -15.371 -11.077 87 HD21 LEU 14 3HD2 LEU 14 -5.732 -12.470 -10.985 88 HD22 LEU 14 1HD2 LEU 14 -4.948 -12.445 -9.406 89 HD23 LEU 14 2HD2 LEU 14 -5.784 -13.898 -9.952 90 H TRP 15 H TRP 15 -3.639 -12.953 -7.041 91 HA TRP 15 HA TRP 15 -1.080 -12.590 -5.703 92 HB2 TRP 15 1HB TRP 15 -3.727 -11.287 -5.049 93 HB3 TRP 15 2HB TRP 15 -2.125 -10.764 -4.536 94 HD1 TRP 15 HD TRP 15 -4.385 -10.852 -7.642 95 HE1 TRP 15 1HE TRP 15 -3.516 -9.115 -9.330 96 HE3 TRP 15 3HE TRP 15 -0.082 -9.479 -5.248 97 HZ2 TRP 15 2HZ TRP 15 -1.298 -7.391 -9.610 98 HZ3 TRP 15 3HZ TRP 15 1.358 -7.780 -6.293 99 HH2 TRP 15 HH TRP 15 0.761 -6.759 -8.429 100 H GLU 16 H GLU 16 -1.560 -12.209 -3.142 101 HA GLU 16 HA GLU 16 -2.275 -14.864 -2.200 102 HB2 GLU 16 1HB GLU 16 -0.840 -12.515 -1.021 103 HB3 GLU 16 2HB GLU 16 -1.493 -13.753 0.042 104 HG2 GLU 16 1HG GLU 16 -0.213 -15.378 -1.554 105 HG3 GLU 16 2HG GLU 16 0.717 -13.932 -1.943 106 HA PRO 17 HA PRO 17 -6.276 -13.782 -0.729 107 HB2 PRO 17 1HB PRO 17 -6.543 -15.633 1.239 108 HB3 PRO 17 2HB PRO 17 -6.632 -16.038 -0.480 109 HG2 PRO 17 1HG PRO 17 -4.334 -16.325 1.417 110 HG3 PRO 17 2HG PRO 17 -4.914 -17.458 0.182 111 HD2 PRO 17 1HD PRO 17 -2.773 -15.847 -0.210 112 HD3 PRO 17 2HD PRO 17 -3.860 -16.330 -1.529 113 H GLU 18 H GLU 18 -3.521 -13.853 1.407 114 HA GLU 18 HA GLU 18 -4.979 -12.172 3.337 115 HB2 GLU 18 1HB GLU 18 -3.466 -12.903 5.038 116 HB3 GLU 18 2HB GLU 18 -4.041 -14.334 4.193 117 HG2 GLU 18 1HG GLU 18 -1.866 -13.989 2.775 118 HG3 GLU 18 2HG GLU 18 -1.340 -13.090 4.197 119 H GLU 19 H GLU 19 -4.021 -11.021 0.990 120 HA GLU 19 HA GLU 19 -1.950 -9.249 2.077 121 HB2 GLU 19 1HB GLU 19 -1.923 -10.683 -0.559 122 HB3 GLU 19 2HB GLU 19 -1.110 -9.134 -0.385 123 HG2 GLU 19 1HG GLU 19 -0.565 -11.527 1.352 124 HG3 GLU 19 2HG GLU 19 0.361 -11.114 -0.089 125 H THR 20 H THR 20 -2.560 -7.196 2.006 126 HA THR 20 HA THR 20 -5.008 -6.349 0.936 127 HB THR 20 HB THR 20 -2.649 -4.567 1.561 128 HG1 THR 20 1HG THR 20 -3.076 -5.862 3.363 129 HG21 THR 20 3HG2 THR 20 -4.196 -3.146 0.637 130 HG22 THR 20 1HG2 THR 20 -4.737 -3.135 2.315 131 HG23 THR 20 2HG2 THR 20 -5.566 -4.142 1.128 132 H VAL 21 H VAL 21 -5.526 -6.199 -1.141 133 HA VAL 21 HA VAL 21 -3.484 -5.221 -3.031 134 HB VAL 21 HB VAL 21 -5.682 -7.238 -3.475 135 HG11 VAL 21 1HG1 VAL 21 -5.692 -5.751 -5.371 136 HG12 VAL 21 2HG1 VAL 21 -3.937 -5.860 -5.512 137 HG13 VAL 21 3HG1 VAL 21 -4.938 -7.275 -5.837 138 HG21 VAL 21 3HG2 VAL 21 -3.371 -8.260 -4.502 139 HG22 VAL 21 1HG2 VAL 21 -2.776 -7.339 -3.121 140 HG23 VAL 21 2HG2 VAL 21 -3.992 -8.594 -2.885 141 H VAL 22 H VAL 22 -4.051 -3.640 -4.471 142 HA VAL 22 HA VAL 22 -6.794 -2.581 -4.273 143 HB VAL 22 HB VAL 22 -5.639 -0.310 -4.760 144 HG11 VAL 22 1HG1 VAL 22 -5.455 -1.638 -2.058 145 HG12 VAL 22 2HG1 VAL 22 -5.364 0.101 -2.344 146 HG13 VAL 22 3HG1 VAL 22 -6.848 -0.779 -2.715 147 HG21 VAL 22 3HG2 VAL 22 -3.413 -0.078 -4.472 148 HG22 VAL 22 1HG2 VAL 22 -3.350 -1.277 -3.181 149 HG23 VAL 22 2HG2 VAL 22 -3.386 -1.797 -4.866 150 H ILE 23 H ILE 23 -7.507 -1.338 -6.136 151 HA ILE 23 HA ILE 23 -6.098 -2.074 -8.617 152 HB ILE 23 HB ILE 23 -9.095 -1.875 -8.393 153 HG12 ILE 23 1HG1 ILE 23 -7.596 -4.476 -8.539 154 HG13 ILE 23 2HG1 ILE 23 -7.949 -3.730 -6.984 155 HG21 ILE 23 1HG2 ILE 23 -7.323 -2.010 -10.566 156 HG22 ILE 23 2HG2 ILE 23 -8.094 -3.591 -10.456 157 HG23 ILE 23 3HG2 ILE 23 -9.081 -2.138 -10.597 158 HD11 ILE 23 3HD1 ILE 23 -9.690 -5.225 -7.297 159 HD12 ILE 23 1HD1 ILE 23 -10.381 -3.681 -7.793 160 HD13 ILE 23 2HD1 ILE 23 -9.845 -4.839 -9.011 161 H ALA 24 H ALA 24 -5.980 -0.544 -10.209 162 HA ALA 24 HA ALA 24 -6.558 2.181 -9.406 163 HB1 ALA 24 3HB ALA 24 -4.422 1.872 -10.373 164 HB2 ALA 24 1HB ALA 24 -5.093 1.001 -11.753 165 HB3 ALA 24 2HB ALA 24 -5.387 2.731 -11.574 166 H LEU 25 H LEU 25 -8.259 3.336 -10.043 167 HA LEU 25 HA LEU 25 -10.284 2.161 -11.683 168 HB2 LEU 25 1HB LEU 25 -10.040 4.972 -10.623 169 HB3 LEU 25 2HB LEU 25 -11.489 4.261 -11.331 170 HG LEU 25 HG LEU 25 -10.227 3.080 -8.879 171 HD11 LEU 25 1HD1 LEU 25 -10.827 5.635 -8.767 172 HD12 LEU 25 2HD1 LEU 25 -11.262 4.540 -7.456 173 HD13 LEU 25 3HD1 LEU 25 -12.474 5.017 -8.645 174 HD21 LEU 25 3HD2 LEU 25 -12.159 1.899 -8.671 175 HD22 LEU 25 1HD2 LEU 25 -12.157 2.104 -10.423 176 HD23 LEU 25 2HD2 LEU 25 -13.143 3.162 -9.413 177 H TYR 26 H TYR 26 -7.851 4.669 -12.122 178 HA TYR 26 HA TYR 26 -8.472 4.660 -14.999 179 HB2 TYR 26 1HB TYR 26 -7.457 7.122 -13.604 180 HB3 TYR 26 2HB TYR 26 -8.246 6.990 -15.172 181 HD1 TYR 26 1HD TYR 26 -10.683 6.710 -15.317 182 HD2 TYR 26 2HD TYR 26 -8.738 7.256 -11.572 183 HE1 TYR 26 1HE TYR 26 -12.846 7.248 -14.279 184 HE2 TYR 26 2HE TYR 26 -10.896 7.795 -10.523 185 HH TYR 26 HH TYR 26 -13.778 7.082 -11.774 186 H ASP 27 H ASP 27 -6.744 4.677 -16.387 187 HA ASP 27 HA ASP 27 -4.302 3.626 -15.470 188 HB2 ASP 27 1HB ASP 27 -3.512 4.197 -17.831 189 HB3 ASP 27 2HB ASP 27 -4.903 3.124 -17.701 190 H TYR 28 H TYR 28 -3.386 4.944 -13.914 191 HA TYR 28 HA TYR 28 -2.902 7.732 -14.382 192 HB2 TYR 28 1HB TYR 28 -3.251 6.740 -12.113 193 HB3 TYR 28 2HB TYR 28 -1.688 5.946 -12.265 194 HD1 TYR 28 2HD TYR 28 -3.276 9.315 -12.308 195 HD2 TYR 28 1HD TYR 28 0.248 7.046 -11.576 196 HE1 TYR 28 2HE TYR 28 -2.176 11.324 -11.411 197 HE2 TYR 28 1HE TYR 28 1.357 9.048 -10.676 198 HH TYR 28 HH TYR 28 0.106 11.491 -9.543 199 H GLN 29 H GLN 29 -0.845 8.741 -14.579 200 HA GLN 29 HA GLN 29 1.364 7.019 -15.438 201 HB2 GLN 29 1HB GLN 29 1.786 8.427 -17.397 202 HB3 GLN 29 2HB GLN 29 0.195 7.684 -17.481 203 HG2 GLN 29 1HG GLN 29 -0.638 9.899 -16.452 204 HG3 GLN 29 2HG GLN 29 0.919 10.538 -16.978 205 HE21 GLN 29 1HE2 GLN 29 -0.291 11.948 -18.353 206 HE22 GLN 29 2HE2 GLN 29 -0.894 11.378 -19.868 207 H THR 30 H THR 30 3.440 8.005 -15.322 208 HA THR 30 HA THR 30 3.858 10.658 -14.434 209 HB THR 30 HB THR 30 2.917 9.849 -12.331 210 HG1 THR 30 1HG THR 30 4.384 11.181 -11.591 211 HG21 THR 30 3HG2 THR 30 3.350 7.837 -11.459 212 HG22 THR 30 1HG2 THR 30 5.091 8.079 -11.585 213 HG23 THR 30 2HG2 THR 30 4.185 7.461 -12.966 214 H ASN 31 H ASN 31 5.896 11.213 -14.900 215 HA ASN 31 HA ASN 31 7.776 9.070 -15.567 216 HB2 ASN 31 1HB ASN 31 9.068 11.187 -16.482 217 HB3 ASN 31 2HB ASN 31 7.737 10.477 -17.392 218 HD21 ASN 31 1HD2 ASN 31 5.532 11.396 -16.699 219 HD22 ASN 31 2HD2 ASN 31 5.458 13.117 -16.569 220 H ASP 32 H ASP 32 7.063 10.461 -12.848 221 HA ASP 32 HA ASP 32 9.780 11.231 -12.060 222 HB2 ASP 32 1HB ASP 32 7.471 11.401 -10.177 223 HB3 ASP 32 2HB ASP 32 8.867 12.462 -10.338 224 HA PRO 33 HA PRO 33 10.499 7.391 -10.037 225 HB2 PRO 33 1HB PRO 33 12.367 8.192 -8.237 226 HB3 PRO 33 2HB PRO 33 12.709 8.016 -9.963 227 HG2 PRO 33 1HG PRO 33 12.092 10.492 -8.397 228 HG3 PRO 33 2HG PRO 33 13.317 10.239 -9.654 229 HD2 PRO 33 1HD PRO 33 10.953 11.463 -10.149 230 HD3 PRO 33 2HD PRO 33 11.792 10.479 -11.366 231 H GLN 34 H GLN 34 9.843 10.255 -8.069 232 HA GLN 34 HA GLN 34 9.340 8.906 -5.644 233 HB2 GLN 34 1HB GLN 34 8.137 11.000 -5.004 234 HB3 GLN 34 2HB GLN 34 9.765 11.268 -5.613 235 HG2 GLN 34 1HG GLN 34 8.995 12.139 -7.634 236 HG3 GLN 34 2HG GLN 34 7.378 11.473 -7.408 237 HE21 GLN 34 1HE2 GLN 34 8.182 14.205 -7.982 238 HE22 GLN 34 2HE2 GLN 34 7.559 15.174 -6.695 239 H GLU 35 H GLU 35 7.441 9.377 -8.496 240 HA GLU 35 HA GLU 35 5.112 8.195 -7.130 241 HB2 GLU 35 1HB GLU 35 5.195 10.019 -9.538 242 HB3 GLU 35 2HB GLU 35 3.743 9.226 -8.943 243 HG2 GLU 35 1HG GLU 35 3.761 10.474 -6.941 244 HG3 GLU 35 2HG GLU 35 5.395 11.064 -7.240 245 H LEU 36 H LEU 36 3.748 6.801 -8.503 246 HA LEU 36 HA LEU 36 5.343 5.363 -10.521 247 HB2 LEU 36 1HB LEU 36 5.237 3.982 -8.588 248 HB3 LEU 36 2HB LEU 36 3.511 4.280 -8.395 249 HG LEU 36 HG LEU 36 3.389 3.098 -10.751 250 HD11 LEU 36 1HD1 LEU 36 5.954 2.981 -10.746 251 HD12 LEU 36 2HD1 LEU 36 5.054 1.537 -11.208 252 HD13 LEU 36 3HD1 LEU 36 5.751 1.662 -9.593 253 HD21 LEU 36 3HD2 LEU 36 2.824 2.391 -8.164 254 HD22 LEU 36 1HD2 LEU 36 3.874 1.079 -8.701 255 HD23 LEU 36 2HD2 LEU 36 2.403 1.455 -9.599 256 H ALA 37 H ALA 37 4.208 4.436 -12.270 257 HA ALA 37 HA ALA 37 1.715 5.832 -12.887 258 HB1 ALA 37 3HB ALA 37 3.777 4.433 -14.548 259 HB2 ALA 37 1HB ALA 37 2.176 4.782 -15.199 260 HB3 ALA 37 2HB ALA 37 3.209 6.099 -14.645 261 H LEU 38 H LEU 38 -0.076 4.811 -12.260 262 HA LEU 38 HA LEU 38 -0.201 1.955 -11.985 263 HB2 LEU 38 1HB LEU 38 -2.287 4.112 -11.728 264 HB3 LEU 38 2HB LEU 38 -2.601 2.404 -11.428 265 HG LEU 38 HG LEU 38 -0.565 4.011 -9.895 266 HD11 LEU 38 1HD1 LEU 38 -3.496 3.619 -9.450 267 HD12 LEU 38 2HD1 LEU 38 -2.525 5.082 -9.294 268 HD13 LEU 38 3HD1 LEU 38 -2.399 3.808 -8.082 269 HD21 LEU 38 3HD2 LEU 38 0.023 2.000 -9.151 270 HD22 LEU 38 1HD2 LEU 38 -1.316 1.227 -10.000 271 HD23 LEU 38 2HD2 LEU 38 -1.563 1.892 -8.385 272 H ARG 39 H ARG 39 -1.954 0.671 -12.996 273 HA ARG 39 HA ARG 39 -2.396 1.516 -15.785 274 HB2 ARG 39 1HB ARG 39 -0.817 -0.426 -15.426 275 HB3 ARG 39 2HB ARG 39 -2.191 -1.333 -14.808 276 HG2 ARG 39 1HG ARG 39 -2.062 -2.005 -17.017 277 HG3 ARG 39 2HG ARG 39 -3.307 -0.754 -17.054 278 HD2 ARG 39 1HD ARG 39 -1.735 0.862 -17.884 279 HD3 ARG 39 2HD ARG 39 -0.399 -0.270 -17.680 280 HE ARG 39 HE ARG 39 -2.144 -1.527 -19.377 281 HH11 ARG 39 1HH1 ARG 39 -0.419 1.497 -19.367 282 HH12 ARG 39 2HH1 ARG 39 -0.288 1.578 -21.093 283 HH21 ARG 39 1HH2 ARG 39 -1.978 -1.432 -21.650 284 HH22 ARG 39 2HH2 ARG 39 -1.175 -0.089 -22.391 285 H ARG 40 H ARG 40 -4.419 1.374 -16.621 286 HA ARG 40 HA ARG 40 -6.627 1.333 -14.892 287 HB2 ARG 40 1HB ARG 40 -6.684 2.506 -17.024 288 HB3 ARG 40 2HB ARG 40 -6.515 0.986 -17.892 289 HG2 ARG 40 1HG ARG 40 -8.684 0.265 -17.176 290 HG3 ARG 40 2HG ARG 40 -8.845 1.665 -16.114 291 HD2 ARG 40 1HD ARG 40 -8.362 2.080 -19.029 292 HD3 ARG 40 2HD ARG 40 -9.978 1.645 -18.474 293 HE ARG 40 HE ARG 40 -8.972 3.794 -16.944 294 HH11 ARG 40 1HH1 ARG 40 -10.217 3.048 -20.108 295 HH12 ARG 40 2HH1 ARG 40 -10.827 4.645 -20.387 296 HH21 ARG 40 1HH2 ARG 40 -9.771 5.900 -17.300 297 HH22 ARG 40 2HH2 ARG 40 -10.572 6.267 -18.790 298 H ASN 41 H ASN 41 -7.815 -0.270 -14.081 299 HA ASN 41 HA ASN 41 -8.649 -2.343 -13.658 300 HB2 ASN 41 1HB ASN 41 -8.242 -2.390 -16.610 301 HB3 ASN 41 2HB ASN 41 -8.558 -3.923 -15.804 302 HD21 ASN 41 1HD2 ASN 41 -9.930 -1.249 -17.218 303 HD22 ASN 41 2HD2 ASN 41 -11.541 -1.422 -16.617 304 H GLU 42 H GLU 42 -6.227 -2.053 -12.660 305 HA GLU 42 HA GLU 42 -5.027 -4.691 -13.035 306 HB2 GLU 42 1HB GLU 42 -3.656 -2.069 -13.454 307 HB3 GLU 42 2HB GLU 42 -2.744 -3.398 -12.752 308 HG2 GLU 42 1HG GLU 42 -4.149 -3.402 -15.413 309 HG3 GLU 42 2HG GLU 42 -2.409 -3.314 -15.140 310 H GLU 43 H GLU 43 -4.455 -5.631 -11.164 311 HA GLU 43 HA GLU 43 -5.034 -4.250 -8.702 312 HB2 GLU 43 1HB GLU 43 -3.876 -7.018 -9.026 313 HB3 GLU 43 2HB GLU 43 -4.723 -6.370 -7.628 314 HG2 GLU 43 1HG GLU 43 -6.383 -7.612 -8.559 315 HG3 GLU 43 2HG GLU 43 -6.676 -6.067 -9.355 316 H TYR 44 H TYR 44 -3.512 -4.349 -6.849 317 HA TYR 44 HA TYR 44 -0.689 -4.462 -7.492 318 HB2 TYR 44 1HB TYR 44 -2.083 -1.895 -6.745 319 HB3 TYR 44 2HB TYR 44 -0.358 -2.134 -6.486 320 HD1 TYR 44 1HD TYR 44 -2.959 -2.232 -9.151 321 HD2 TYR 44 2HD TYR 44 1.152 -1.680 -8.203 322 HE1 TYR 44 1HE TYR 44 -2.523 -1.546 -11.472 323 HE2 TYR 44 2HE TYR 44 1.600 -0.991 -10.521 324 HH TYR 44 HH TYR 44 0.661 -0.395 -12.479 325 H CYS 45 H CYS 45 0.653 -4.581 -5.660 326 HA CYS 45 HA CYS 45 -0.772 -5.371 -3.231 327 HB2 CYS 45 1HB CYS 45 1.618 -6.175 -2.602 328 HB3 CYS 45 2HB CYS 45 0.708 -7.073 -3.810 329 HG CYS 45 HG CYS 45 3.434 -6.901 -4.539 330 H LEU 46 H LEU 46 -1.180 -3.612 -2.013 331 HA LEU 46 HA LEU 46 0.316 -1.280 -1.850 332 HB2 LEU 46 1HB LEU 46 -1.929 -1.377 -1.012 333 HB3 LEU 46 2HB LEU 46 -1.476 -2.586 0.188 334 HG LEU 46 HG LEU 46 0.051 -0.755 1.155 335 HD11 LEU 46 1HD1 LEU 46 -1.571 0.769 -0.826 336 HD12 LEU 46 2HD1 LEU 46 0.123 0.955 -0.372 337 HD13 LEU 46 3HD1 LEU 46 -1.147 1.528 0.709 338 HD21 LEU 46 3HD2 LEU 46 -2.760 -1.317 1.471 339 HD22 LEU 46 1HD2 LEU 46 -2.399 0.361 1.878 340 HD23 LEU 46 2HD2 LEU 46 -1.542 -0.948 2.693 341 H LEU 47 H LEU 47 2.123 -0.683 -0.818 342 HA LEU 47 HA LEU 47 3.542 -2.718 0.726 343 HB2 LEU 47 1HB LEU 47 4.485 -0.073 -0.369 344 HB3 LEU 47 2HB LEU 47 5.496 -1.258 0.455 345 HG LEU 47 HG LEU 47 4.120 -1.650 -2.202 346 HD11 LEU 47 1HD1 LEU 47 7.015 -1.815 -2.120 347 HD12 LEU 47 2HD1 LEU 47 6.418 -0.226 -1.643 348 HD13 LEU 47 3HD1 LEU 47 5.962 -0.906 -3.205 349 HD21 LEU 47 3HD2 LEU 47 5.555 -3.471 -0.358 350 HD22 LEU 47 1HD2 LEU 47 5.901 -3.626 -2.080 351 HD23 LEU 47 2HD2 LEU 47 4.247 -3.803 -1.494 352 H ASP 48 H ASP 48 2.754 0.748 0.960 353 HA ASP 48 HA ASP 48 2.418 0.451 3.837 354 HB2 ASP 48 1HB ASP 48 4.685 1.077 3.883 355 HB3 ASP 48 2HB ASP 48 4.491 2.210 2.548 356 H SER 49 H SER 49 1.124 2.051 4.781 357 HA SER 49 HA SER 49 -0.175 3.891 2.882 358 HB2 SER 49 1HB SER 49 -2.281 3.543 4.205 359 HB3 SER 49 2HB SER 49 -1.735 2.109 3.335 360 HG SER 49 HG SER 49 -1.784 2.626 6.076 361 H SER 50 H SER 50 2.029 4.571 4.493 362 HA SER 50 HA SER 50 1.467 5.699 6.963 363 HB2 SER 50 1HB SER 50 3.745 5.555 6.272 364 HB3 SER 50 2HB SER 50 3.438 6.511 4.822 365 HG SER 50 HG SER 50 2.963 7.601 7.372 366 H GLU 51 H GLU 51 1.181 7.143 3.735 367 HA GLU 51 HA GLU 51 -0.071 9.515 4.903 368 HB2 GLU 51 1HB GLU 51 1.152 8.878 2.250 369 HB3 GLU 51 2HB GLU 51 -0.033 10.172 2.352 370 HG2 GLU 51 1HG GLU 51 1.956 11.297 2.619 371 HG3 GLU 51 2HG GLU 51 1.437 11.049 4.286 372 H ILE 52 H ILE 52 -2.020 10.388 3.801 373 HA ILE 52 HA ILE 52 -3.930 8.220 3.364 374 HB ILE 52 HB ILE 52 -4.449 11.170 3.754 375 HG12 ILE 52 1HG1 ILE 52 -4.963 8.989 5.764 376 HG13 ILE 52 2HG1 ILE 52 -3.407 9.808 5.685 377 HG21 ILE 52 1HG2 ILE 52 -6.313 10.328 2.635 378 HG22 ILE 52 2HG2 ILE 52 -6.241 8.783 3.481 379 HG23 ILE 52 3HG2 ILE 52 -6.769 10.233 4.335 380 HD11 ILE 52 3HD1 ILE 52 -5.648 11.655 5.747 381 HD12 ILE 52 1HD1 ILE 52 -5.581 10.598 7.157 382 HD13 ILE 52 2HD1 ILE 52 -4.191 11.600 6.739 383 H HIS 53 H HIS 53 -3.184 11.393 1.909 384 HA HIS 53 HA HIS 53 -4.689 10.911 -0.446 385 HB2 HIS 53 1HB HIS 53 -2.385 12.842 -0.253 386 HB3 HIS 53 2HB HIS 53 -3.836 12.969 -1.242 387 HD1 HIS 53 1HD HIS 53 -6.106 13.436 0.133 388 HD2 HIS 53 2HD HIS 53 -2.545 14.071 2.177 389 HE1 HIS 53 1HE HIS 53 -6.716 14.847 2.123 390 HE2 HIS 53 2HE HIS 53 -4.532 15.290 3.298 391 H TRP 54 H TRP 54 -1.284 10.511 0.383 392 HA TRP 54 HA TRP 54 -0.815 9.327 -2.269 393 HB2 TRP 54 1HB TRP 54 1.210 10.320 -0.251 394 HB3 TRP 54 2HB TRP 54 1.567 9.711 -1.865 395 HD1 TRP 54 HD TRP 54 1.141 12.866 -0.103 396 HE1 TRP 54 1HE TRP 54 0.705 14.804 -1.739 397 HE3 TRP 54 3HE TRP 54 0.036 10.156 -4.295 398 HZ2 TRP 54 2HZ TRP 54 -0.014 15.140 -4.448 399 HZ3 TRP 54 3HZ TRP 54 -0.515 11.362 -6.367 400 HH2 TRP 54 HH TRP 54 -0.540 13.803 -6.440 401 H TRP 55 H TRP 55 -0.627 7.196 -2.411 402 HA TRP 55 HA TRP 55 0.046 5.685 0.030 403 HB2 TRP 55 1HB TRP 55 -1.997 5.233 -2.086 404 HB3 TRP 55 2HB TRP 55 -1.199 3.812 -1.416 405 HD1 TRP 55 HD TRP 55 -1.513 6.427 1.184 406 HE1 TRP 55 1HE TRP 55 -3.471 5.890 2.766 407 HE3 TRP 55 3HE TRP 55 -3.775 2.743 -1.544 408 HZ2 TRP 55 2HZ TRP 55 -5.682 4.137 2.847 409 HZ3 TRP 55 3HZ TRP 55 -5.807 1.687 -0.644 410 HH2 TRP 55 HH TRP 55 -6.739 2.370 1.507 411 H ARG 56 H ARG 56 1.528 4.033 -0.105 412 HA ARG 56 HA ARG 56 3.136 3.998 -2.558 413 HB2 ARG 56 1HB ARG 56 4.199 4.552 -0.336 414 HB3 ARG 56 2HB ARG 56 3.883 2.892 0.149 415 HG2 ARG 56 1HG ARG 56 5.358 2.034 -1.491 416 HG3 ARG 56 2HG ARG 56 5.489 3.604 -2.287 417 HD2 ARG 56 1HD ARG 56 6.422 4.421 -0.026 418 HD3 ARG 56 2HD ARG 56 6.655 2.708 0.325 419 HE ARG 56 HE ARG 56 7.764 3.538 -2.194 420 HH11 ARG 56 1HH1 ARG 56 8.325 3.251 1.230 421 HH12 ARG 56 2HH1 ARG 56 10.050 3.202 1.075 422 HH21 ARG 56 1HH2 ARG 56 10.034 3.475 -2.411 423 HH22 ARG 56 2HH2 ARG 56 11.021 3.330 -0.996 424 H VAL 57 H VAL 57 2.591 2.429 -3.923 425 HA VAL 57 HA VAL 57 2.044 -0.250 -2.818 426 HB VAL 57 HB VAL 57 0.506 -0.693 -4.619 427 HG11 VAL 57 1HG1 VAL 57 -0.390 2.004 -3.725 428 HG12 VAL 57 2HG1 VAL 57 -1.286 0.486 -3.805 429 HG13 VAL 57 3HG1 VAL 57 -0.113 0.752 -2.514 430 HG21 VAL 57 3HG2 VAL 57 0.340 2.017 -5.684 431 HG22 VAL 57 1HG2 VAL 57 1.887 1.232 -6.005 432 HG23 VAL 57 2HG2 VAL 57 0.385 0.469 -6.528 433 H GLN 58 H GLN 58 2.482 -2.026 -4.389 434 HA GLN 58 HA GLN 58 4.841 -1.383 -6.032 435 HB2 GLN 58 1HB GLN 58 5.411 -2.729 -4.067 436 HB3 GLN 58 2HB GLN 58 4.222 -3.937 -4.538 437 HG2 GLN 58 1HG GLN 58 5.499 -4.367 -6.591 438 HG3 GLN 58 2HG GLN 58 6.706 -3.194 -6.067 439 HE21 GLN 58 1HE2 GLN 58 8.122 -3.723 -4.436 440 HE22 GLN 58 2HE2 GLN 58 8.302 -5.332 -3.836 441 H ASP 59 H ASP 59 4.757 -1.861 -8.131 442 HA ASP 59 HA ASP 59 2.368 -2.806 -9.322 443 HB2 ASP 59 1HB ASP 59 3.925 -1.251 -10.448 444 HB3 ASP 59 2HB ASP 59 5.121 -2.540 -10.550 445 H ARG 60 H ARG 60 2.422 -4.636 -10.977 446 HA ARG 60 HA ARG 60 2.941 -7.061 -9.598 447 HB2 ARG 60 1HB ARG 60 2.203 -8.150 -11.693 448 HB3 ARG 60 2HB ARG 60 1.090 -6.900 -11.154 449 HG2 ARG 60 1HG ARG 60 1.620 -5.486 -12.888 450 HG3 ARG 60 2HG ARG 60 3.207 -6.217 -13.138 451 HD2 ARG 60 1HD ARG 60 1.845 -8.324 -13.803 452 HD3 ARG 60 2HD ARG 60 0.514 -7.186 -14.012 453 HE ARG 60 HE ARG 60 2.762 -7.537 -15.739 454 HH11 ARG 60 1HH1 ARG 60 0.448 -5.214 -14.569 455 HH12 ARG 60 2HH1 ARG 60 0.554 -4.206 -15.973 456 HH21 ARG 60 1HH2 ARG 60 2.910 -6.217 -17.594 457 HH22 ARG 60 2HH2 ARG 60 1.954 -4.778 -17.694 458 H ASN 61 H ASN 61 4.646 -5.259 -12.075 459 HA ASN 61 HA ASN 61 6.473 -7.315 -12.784 460 HB2 ASN 61 1HB ASN 61 6.270 -4.378 -13.249 461 HB3 ASN 61 2HB ASN 61 7.842 -5.137 -13.487 462 HD21 ASN 61 1HD2 ASN 61 6.047 -3.907 -15.422 463 HD22 ASN 61 2HD2 ASN 61 5.707 -5.124 -16.601 464 H GLY 62 H GLY 62 6.776 -4.463 -10.665 465 HA2 GLY 62 1HA GLY 62 7.968 -5.336 -8.494 466 HA3 GLY 62 2HA GLY 62 9.297 -5.531 -9.627 467 H HIS 63 H HIS 63 6.954 -2.918 -9.749 468 HA HIS 63 HA HIS 63 9.134 -1.043 -9.111 469 HB2 HIS 63 1HB HIS 63 6.646 -0.297 -10.629 470 HB3 HIS 63 2HB HIS 63 8.205 0.522 -10.602 471 HD1 HIS 63 1HD HIS 63 6.690 -0.444 -13.209 472 HD2 HIS 63 2HD HIS 63 9.836 -2.410 -11.337 473 HE1 HIS 63 1HE HIS 63 7.743 -1.875 -14.988 474 HE2 HIS 63 2HE HIS 63 9.590 -3.120 -13.812 475 H GLU 64 H GLU 64 8.174 1.163 -8.351 476 HA GLU 64 HA GLU 64 5.805 0.953 -6.717 477 HB2 GLU 64 1HB GLU 64 8.304 1.663 -5.229 478 HB3 GLU 64 2HB GLU 64 6.763 1.092 -4.605 479 HG2 GLU 64 1HG GLU 64 7.210 -1.135 -5.347 480 HG3 GLU 64 2HG GLU 64 8.661 -0.610 -6.200 481 H GLY 65 H GLY 65 5.543 3.046 -5.385 482 HA2 GLY 65 1HA GLY 65 6.799 5.405 -5.681 483 HA3 GLY 65 2HA GLY 65 5.974 5.246 -7.224 484 H TYR 66 H TYR 66 5.575 7.247 -5.155 485 HA TYR 66 HA TYR 66 3.207 6.711 -3.699 486 HB2 TYR 66 1HB TYR 66 4.420 9.348 -4.550 487 HB3 TYR 66 2HB TYR 66 3.113 9.172 -3.383 488 HD1 TYR 66 1HD TYR 66 3.790 7.206 -1.545 489 HD2 TYR 66 2HD TYR 66 6.450 9.826 -3.585 490 HE1 TYR 66 1HE TYR 66 5.435 6.933 0.263 491 HE2 TYR 66 2HE TYR 66 8.103 9.559 -1.783 492 HH TYR 66 HH TYR 66 8.673 8.026 -0.019 493 H VAL 67 H VAL 67 1.150 6.685 -4.322 494 HA VAL 67 HA VAL 67 0.396 8.066 -6.806 495 HB VAL 67 HB VAL 67 -1.206 6.123 -7.217 496 HG11 VAL 67 1HG1 VAL 67 0.542 6.370 -8.746 497 HG12 VAL 67 2HG1 VAL 67 1.770 5.942 -7.552 498 HG13 VAL 67 3HG1 VAL 67 0.692 4.701 -8.195 499 HG21 VAL 67 3HG2 VAL 67 0.507 4.998 -5.047 500 HG22 VAL 67 1HG2 VAL 67 -1.230 4.836 -5.309 501 HG23 VAL 67 2HG2 VAL 67 -0.098 3.933 -6.315 502 HA PRO 68 HA PRO 68 -3.021 9.659 -4.556 503 HB2 PRO 68 1HB PRO 68 -4.895 9.854 -6.510 504 HB3 PRO 68 2HB PRO 68 -3.497 10.930 -6.410 505 HG2 PRO 68 1HG PRO 68 -3.906 8.511 -8.125 506 HG3 PRO 68 2HG PRO 68 -3.202 10.080 -8.554 507 HD2 PRO 68 1HD PRO 68 -1.686 7.903 -8.010 508 HD3 PRO 68 2HD PRO 68 -1.155 9.555 -7.634 509 H SER 69 H SER 69 -3.824 8.245 -3.086 510 HA SER 69 HA SER 69 -4.771 5.730 -3.338 511 HB2 SER 69 1HB SER 69 -5.921 6.006 -1.295 512 HB3 SER 69 2HB SER 69 -4.620 7.195 -1.230 513 HG SER 69 HG SER 69 -7.356 7.563 -1.399 514 H SER 70 H SER 70 -6.397 8.647 -4.339 515 HA SER 70 HA SER 70 -9.014 7.861 -4.579 516 HB2 SER 70 1HB SER 70 -7.305 9.647 -6.295 517 HB3 SER 70 2HB SER 70 -9.000 9.363 -6.691 518 HG SER 70 HG SER 70 -8.255 11.194 -5.161 519 H TYR 71 H TYR 71 -6.427 7.362 -6.970 520 HA TYR 71 HA TYR 71 -8.017 5.958 -8.828 521 HB2 TYR 71 1HB TYR 71 -5.048 6.130 -8.366 522 HB3 TYR 71 2HB TYR 71 -5.721 5.091 -9.617 523 HD1 TYR 71 1HD TYR 71 -6.691 8.520 -8.506 524 HD2 TYR 71 2HD TYR 71 -5.219 6.069 -11.657 525 HE1 TYR 71 1HE TYR 71 -6.791 10.441 -10.039 526 HE2 TYR 71 2HE TYR 71 -5.313 7.984 -13.198 527 HH TYR 71 HH TYR 71 -6.663 11.089 -12.190 528 H LEU 72 H LEU 72 -5.914 4.865 -6.196 529 HA LEU 72 HA LEU 72 -6.317 2.087 -6.715 530 HB2 LEU 72 1HB LEU 72 -5.288 3.546 -4.289 531 HB3 LEU 72 2HB LEU 72 -5.301 1.792 -4.456 532 HG LEU 72 HG LEU 72 -3.784 3.662 -6.273 533 HD11 LEU 72 1HD1 LEU 72 -1.787 2.780 -5.061 534 HD12 LEU 72 2HD1 LEU 72 -2.885 2.099 -3.861 535 HD13 LEU 72 3HD1 LEU 72 -2.815 3.845 -4.102 536 HD21 LEU 72 3HD2 LEU 72 -4.422 0.851 -6.363 537 HD22 LEU 72 1HD2 LEU 72 -2.678 1.103 -6.278 538 HD23 LEU 72 2HD2 LEU 72 -3.616 1.861 -7.565 539 H VAL 73 H VAL 73 -7.694 0.644 -5.759 540 HA VAL 73 HA VAL 73 -9.650 1.696 -3.833 541 HB VAL 73 HB VAL 73 -11.504 0.862 -4.969 542 HG11 VAL 73 1HG1 VAL 73 -9.776 2.600 -6.308 543 HG12 VAL 73 2HG1 VAL 73 -10.354 1.475 -7.538 544 HG13 VAL 73 3HG1 VAL 73 -11.508 2.399 -6.576 545 HG21 VAL 73 3HG2 VAL 73 -9.594 -0.733 -6.673 546 HG22 VAL 73 1HG2 VAL 73 -10.713 -1.354 -5.460 547 HG23 VAL 73 2HG2 VAL 73 -11.334 -0.636 -6.946 548 H GLU 74 H GLU 74 -10.071 0.376 -2.163 549 HA GLU 74 HA GLU 74 -8.506 -1.941 -1.747 550 HB2 GLU 74 1HB GLU 74 -9.706 -0.286 -0.065 551 HB3 GLU 74 2HB GLU 74 -10.995 -1.477 -0.167 552 HG2 GLU 74 1HG GLU 74 -9.206 -3.207 0.391 553 HG3 GLU 74 2HG GLU 74 -8.198 -1.834 0.846 554 H LYS 75 H LYS 75 -8.795 -3.686 -2.993 555 HA LYS 75 HA LYS 75 -10.978 -4.526 -4.380 556 HB2 LYS 75 1HB LYS 75 -8.657 -5.549 -4.356 557 HB3 LYS 75 2HB LYS 75 -9.159 -6.448 -2.929 558 HG2 LYS 75 1HG LYS 75 -10.916 -7.535 -4.201 559 HG3 LYS 75 2HG LYS 75 -10.482 -6.596 -5.631 560 HD2 LYS 75 1HD LYS 75 -8.108 -7.637 -5.196 561 HD3 LYS 75 2HD LYS 75 -9.041 -8.860 -4.330 562 HE2 LYS 75 1HE LYS 75 -10.308 -9.375 -6.293 563 HE3 LYS 75 2HE LYS 75 -9.610 -8.011 -7.165 564 HZ1 LYS 75 3HZ LYS 75 -8.311 -10.547 -6.383 565 HZ2 LYS 75 1HZ LYS 75 -7.400 -9.177 -6.778 566 HZ3 LYS 75 2HZ LYS 75 -8.441 -9.858 -7.923 567 H SER 76 H SER 76 -12.999 -4.914 -3.790 568 HA SER 76 HA SER 76 -13.763 -5.359 -1.087 569 HB2 SER 76 1HB SER 76 -15.171 -5.200 -3.710 570 HB3 SER 76 2HB SER 76 -16.017 -5.978 -2.372 571 HG SER 76 HG SER 76 -15.361 -3.324 -2.753 572 HA PRO 77 HA PRO 77 -13.418 -9.734 -0.793 573 HB2 PRO 77 1HB PRO 77 -15.264 -10.195 1.144 574 HB3 PRO 77 2HB PRO 77 -13.692 -9.455 1.471 575 HG2 PRO 77 1HG PRO 77 -16.364 -8.151 1.119 576 HG3 PRO 77 2HG PRO 77 -15.100 -7.807 2.314 577 HD2 PRO 77 1HD PRO 77 -15.459 -6.293 0.098 578 HD3 PRO 77 2HD PRO 77 -13.862 -6.550 0.831 579 H ASN 78 H ASN 78 -16.607 -8.285 -1.213 580 HA ASN 78 HA ASN 78 -17.967 -10.688 -1.864 581 HB2 ASN 78 1HB ASN 78 -18.833 -8.016 -2.916 582 HB3 ASN 78 2HB ASN 78 -19.819 -9.350 -2.324 583 HD21 ASN 78 1HD2 ASN 78 -20.775 -8.926 -0.484 584 HD22 ASN 78 2HD2 ASN 78 -20.154 -7.939 0.790 585 H ASN 79 H ASN 79 -17.005 -7.977 -3.981 586 HA ASN 79 HA ASN 79 -16.405 -7.898 -6.173 587 HB2 ASN 79 1HB ASN 79 -14.728 -9.619 -5.294 588 HB3 ASN 79 2HB ASN 79 -15.780 -10.844 -5.998 589 HD21 ASN 79 1HD2 ASN 79 -13.674 -11.223 -7.143 590 HD22 ASN 79 2HD2 ASN 79 -13.432 -10.379 -8.632 591 H LEU 80 H LEU 80 -19.046 -8.033 -5.852 592 HA LEU 80 HA LEU 80 -19.972 -10.014 -7.824 593 HB2 LEU 80 1HB LEU 80 -22.269 -9.231 -6.766 594 HB3 LEU 80 2HB LEU 80 -21.296 -10.519 -6.058 595 HG LEU 80 HG LEU 80 -20.398 -8.941 -4.417 596 HD11 LEU 80 1HD1 LEU 80 -22.371 -6.914 -5.420 597 HD12 LEU 80 2HD1 LEU 80 -20.700 -6.949 -5.980 598 HD13 LEU 80 3HD1 LEU 80 -21.051 -6.697 -4.271 599 HD21 LEU 80 3HD2 LEU 80 -23.400 -9.086 -4.622 600 HD22 LEU 80 1HD2 LEU 80 -22.539 -8.514 -3.193 601 HD23 LEU 80 2HD2 LEU 80 -22.324 -10.176 -3.745 602 H GLU 81 H GLU 81 -18.778 -7.905 -8.940 603 HA GLU 81 HA GLU 81 -20.991 -6.160 -9.803 604 HB2 GLU 81 1HB GLU 81 -18.042 -5.619 -9.530 605 HB3 GLU 81 2HB GLU 81 -19.075 -4.613 -10.535 606 HG2 GLU 81 1HG GLU 81 -19.641 -5.130 -7.633 607 HG3 GLU 81 2HG GLU 81 -18.638 -3.792 -8.192 608 H THR 82 H THR 82 -21.334 -8.191 -11.182 609 HA THR 82 HA THR 82 -19.534 -8.615 -13.373 610 HB THR 82 HB THR 82 -21.320 -10.081 -14.277 611 HG1 THR 82 1HG THR 82 -23.060 -8.771 -13.298 612 HG21 THR 82 3HG2 THR 82 -20.185 -10.346 -11.557 613 HG22 THR 82 1HG2 THR 82 -20.019 -11.399 -12.962 614 HG23 THR 82 2HG2 THR 82 -21.483 -11.463 -11.980 615 H TYR 83 H TYR 83 -20.264 -8.448 -15.657 616 HA TYR 83 HA TYR 83 -21.277 -5.789 -16.146 617 HB2 TYR 83 1HB TYR 83 -20.160 -7.950 -17.923 618 HB3 TYR 83 2HB TYR 83 -20.846 -6.468 -18.578 619 HD1 TYR 83 1HD TYR 83 -19.889 -4.264 -17.336 620 HD2 TYR 83 2HD TYR 83 -17.873 -7.996 -17.675 621 HE1 TYR 83 1HE TYR 83 -17.733 -3.122 -17.021 622 HE2 TYR 83 2HE TYR 83 -15.713 -6.864 -17.360 623 HH TYR 83 HH TYR 83 -15.206 -3.728 -17.754 624 H GLU 84 H GLU 84 -23.236 -5.234 -16.905 625 HA GLU 84 HA GLU 84 -25.129 -7.417 -17.478 626 HB2 GLU 84 1HB GLU 84 -25.470 -4.773 -16.106 627 HB3 GLU 84 2HB GLU 84 -26.845 -5.543 -16.886 628 HG2 GLU 84 1HG GLU 84 -25.158 -6.991 -14.876 629 HG3 GLU 84 2HG GLU 84 -26.501 -5.955 -14.396 630 H TRP 85 H TRP 85 -24.548 -7.439 -19.701 631 HA TRP 85 HA TRP 85 -24.757 -5.099 -21.326 632 HB2 TRP 85 1HB TRP 85 -24.653 -6.761 -23.221 633 HB3 TRP 85 2HB TRP 85 -23.311 -6.844 -22.084 634 HD1 TRP 85 HD TRP 85 -23.363 -8.946 -20.317 635 HE1 TRP 85 1HE TRP 85 -24.328 -11.315 -20.604 636 HE3 TRP 85 3HE TRP 85 -26.457 -8.085 -24.294 637 HZ2 TRP 85 2HZ TRP 85 -26.158 -12.643 -22.294 638 HZ3 TRP 85 3HZ TRP 85 -27.780 -9.958 -25.186 639 HH2 TRP 85 HH TRP 85 -27.632 -12.189 -24.206 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -32.084 -16.816 -15.166 2 HA2 GLY 1 1HA GLY 1 -29.380 -17.058 -16.120 3 HA3 GLY 1 2HA GLY 1 -29.547 -15.880 -14.826 4 H SER 2 H SER 2 -30.763 -16.718 -12.859 5 HA SER 2 HA SER 2 -30.445 -18.065 -11.018 6 HB2 SER 2 1HB SER 2 -32.500 -18.923 -12.165 7 HB3 SER 2 2HB SER 2 -31.497 -20.138 -12.958 8 HG SER 2 HG SER 2 -32.638 -20.374 -10.649 9 H SER 3 H SER 3 -28.027 -17.778 -12.344 10 HA SER 3 HA SER 3 -26.603 -19.897 -13.223 11 HB2 SER 3 1HB SER 3 -24.614 -18.877 -12.320 12 HB3 SER 3 2HB SER 3 -25.713 -17.586 -12.805 13 HG SER 3 HG SER 3 -26.411 -17.670 -10.502 14 H GLY 4 H GLY 4 -25.838 -21.795 -12.482 15 HA2 GLY 4 1HA GLY 4 -25.908 -22.324 -9.596 16 HA3 GLY 4 2HA GLY 4 -26.816 -23.386 -10.662 17 H SER 5 H SER 5 -23.555 -21.937 -10.676 18 HA SER 5 HA SER 5 -22.415 -24.628 -10.817 19 HB2 SER 5 1HB SER 5 -21.962 -22.436 -12.843 20 HB3 SER 5 2HB SER 5 -20.845 -23.785 -12.640 21 HG SER 5 HG SER 5 -22.145 -24.876 -13.860 22 H SER 6 H SER 6 -20.084 -24.657 -10.404 23 HA SER 6 HA SER 6 -18.812 -22.305 -9.358 24 HB2 SER 6 1HB SER 6 -19.941 -24.385 -7.512 25 HB3 SER 6 2HB SER 6 -18.465 -23.527 -7.071 26 HG SER 6 HG SER 6 -20.809 -22.170 -7.878 27 H GLY 7 H GLY 7 -16.700 -22.479 -9.737 28 HA2 GLY 7 1HA GLY 7 -15.587 -25.194 -10.084 29 HA3 GLY 7 2HA GLY 7 -15.058 -23.791 -11.001 30 H GLU 8 H GLU 8 -13.915 -25.807 -8.869 31 HA GLU 8 HA GLU 8 -12.725 -23.808 -7.080 32 HB2 GLU 8 1HB GLU 8 -13.121 -26.770 -6.913 33 HB3 GLU 8 2HB GLU 8 -11.827 -26.023 -5.988 34 HG2 GLU 8 1HG GLU 8 -13.882 -26.309 -4.684 35 HG3 GLU 8 2HG GLU 8 -13.400 -24.620 -4.827 36 H ASP 9 H ASP 9 -11.865 -26.433 -9.295 37 HA ASP 9 HA ASP 9 -9.084 -25.473 -9.275 38 HB2 ASP 9 1HB ASP 9 -9.533 -27.885 -8.683 39 HB3 ASP 9 2HB ASP 9 -10.087 -28.116 -10.339 40 H ASN 10 H ASN 10 -11.021 -24.030 -10.705 41 HA ASN 10 HA ASN 10 -10.422 -24.719 -13.503 42 HB2 ASN 10 1HB ASN 10 -12.683 -23.164 -12.253 43 HB3 ASN 10 2HB ASN 10 -12.337 -23.085 -13.978 44 HD21 ASN 10 1HD2 ASN 10 -11.910 -25.449 -14.862 45 HD22 ASN 10 2HD2 ASN 10 -13.172 -26.566 -14.482 46 H ARG 11 H ARG 11 -10.914 -21.835 -11.458 47 HA ARG 11 HA ARG 11 -8.951 -20.421 -13.134 48 HB2 ARG 11 1HB ARG 11 -11.200 -19.395 -11.401 49 HB3 ARG 11 2HB ARG 11 -9.970 -18.349 -12.096 50 HG2 ARG 11 1HG ARG 11 -10.657 -19.291 -14.352 51 HG3 ARG 11 2HG ARG 11 -12.060 -19.963 -13.519 52 HD2 ARG 11 1HD ARG 11 -12.921 -17.860 -13.014 53 HD3 ARG 11 2HD ARG 11 -11.367 -17.062 -13.255 54 HE ARG 11 HE ARG 11 -12.324 -18.242 -15.661 55 HH11 ARG 11 1HH1 ARG 11 -12.707 -15.492 -13.561 56 HH12 ARG 11 2HH1 ARG 11 -13.274 -14.445 -14.819 57 HH21 ARG 11 1HH2 ARG 11 -13.069 -16.873 -17.327 58 HH22 ARG 11 2HH2 ARG 11 -13.480 -15.232 -16.961 59 H ARG 12 H ARG 12 -7.494 -18.920 -12.047 60 HA ARG 12 HA ARG 12 -6.976 -19.558 -9.230 61 HB2 ARG 12 1HB ARG 12 -5.516 -20.921 -10.802 62 HB3 ARG 12 2HB ARG 12 -4.770 -19.402 -11.280 63 HG2 ARG 12 1HG ARG 12 -4.120 -19.022 -8.928 64 HG3 ARG 12 2HG ARG 12 -4.787 -20.604 -8.521 65 HD2 ARG 12 1HD ARG 12 -3.099 -21.737 -9.568 66 HD3 ARG 12 2HD ARG 12 -2.811 -20.447 -10.734 67 HE ARG 12 HE ARG 12 -2.103 -19.748 -8.038 68 HH11 ARG 12 1HH1 ARG 12 -1.023 -21.258 -10.983 69 HH12 ARG 12 2HH1 ARG 12 0.658 -21.004 -10.651 70 HH21 ARG 12 1HH2 ARG 12 0.107 -19.407 -7.589 71 HH22 ARG 12 2HH2 ARG 12 1.300 -19.951 -8.720 72 HA PRO 13 HA PRO 13 -6.618 -15.177 -8.892 73 HB2 PRO 13 1HB PRO 13 -5.352 -15.067 -6.493 74 HB3 PRO 13 2HB PRO 13 -7.065 -15.471 -6.658 75 HG2 PRO 13 1HG PRO 13 -4.716 -17.290 -6.293 76 HG3 PRO 13 2HG PRO 13 -6.311 -17.355 -5.522 77 HD2 PRO 13 1HD PRO 13 -5.636 -18.943 -7.609 78 HD3 PRO 13 2HD PRO 13 -7.293 -18.360 -7.349 79 H LEU 14 H LEU 14 -4.881 -13.515 -8.315 80 HA LEU 14 HA LEU 14 -2.353 -14.346 -9.569 81 HB2 LEU 14 1HB LEU 14 -3.277 -11.510 -9.265 82 HB3 LEU 14 2HB LEU 14 -2.086 -12.167 -10.386 83 HG LEU 14 HG LEU 14 -3.949 -11.625 -11.704 84 HD11 LEU 14 1HD1 LEU 14 -4.088 -14.562 -11.044 85 HD12 LEU 14 2HD1 LEU 14 -3.060 -13.797 -12.256 86 HD13 LEU 14 3HD1 LEU 14 -4.811 -13.808 -12.465 87 HD21 LEU 14 3HD2 LEU 14 -5.459 -11.505 -9.613 88 HD22 LEU 14 1HD2 LEU 14 -5.824 -13.193 -9.973 89 HD23 LEU 14 2HD2 LEU 14 -6.185 -11.941 -11.161 90 H TRP 15 H TRP 15 -3.705 -12.385 -6.945 91 HA TRP 15 HA TRP 15 -1.054 -12.392 -5.663 92 HB2 TRP 15 1HB TRP 15 -3.311 -10.584 -4.843 93 HB3 TRP 15 2HB TRP 15 -1.579 -10.369 -4.604 94 HD1 TRP 15 HD TRP 15 -4.078 -10.439 -7.577 95 HE1 TRP 15 1HE TRP 15 -3.260 -8.743 -9.332 96 HE3 TRP 15 3HE TRP 15 0.247 -8.938 -5.302 97 HZ2 TRP 15 2HZ TRP 15 -1.071 -7.000 -9.703 98 HZ3 TRP 15 3HZ TRP 15 1.646 -7.253 -6.423 99 HH2 TRP 15 HH TRP 15 0.999 -6.306 -8.579 100 H GLU 16 H GLU 16 -1.526 -11.993 -3.104 101 HA GLU 16 HA GLU 16 -2.879 -14.439 -2.287 102 HB2 GLU 16 1HB GLU 16 -0.962 -12.555 -0.944 103 HB3 GLU 16 2HB GLU 16 -1.872 -13.731 -0.006 104 HG2 GLU 16 1HG GLU 16 -0.932 -15.517 -1.465 105 HG3 GLU 16 2HG GLU 16 0.091 -14.292 -2.213 106 HA PRO 17 HA PRO 17 -6.488 -12.484 -0.721 107 HB2 PRO 17 1HB PRO 17 -7.132 -14.196 1.285 108 HB3 PRO 17 2HB PRO 17 -7.338 -14.598 -0.424 109 HG2 PRO 17 1HG PRO 17 -5.132 -15.364 1.449 110 HG3 PRO 17 2HG PRO 17 -5.972 -16.357 0.244 111 HD2 PRO 17 1HD PRO 17 -3.531 -15.275 -0.206 112 HD3 PRO 17 2HD PRO 17 -4.719 -15.523 -1.501 113 H GLU 18 H GLU 18 -4.325 -13.657 1.867 114 HA GLU 18 HA GLU 18 -5.208 -11.950 3.881 115 HB2 GLU 18 1HB GLU 18 -3.772 -13.847 4.356 116 HB3 GLU 18 2HB GLU 18 -2.461 -13.127 3.431 117 HG2 GLU 18 1HG GLU 18 -3.600 -11.647 5.752 118 HG3 GLU 18 2HG GLU 18 -2.485 -12.983 6.030 119 H GLU 19 H GLU 19 -2.662 -11.479 1.463 120 HA GLU 19 HA GLU 19 -1.792 -8.965 2.431 121 HB2 GLU 19 1HB GLU 19 -1.480 -10.450 -0.153 122 HB3 GLU 19 2HB GLU 19 -0.974 -8.770 -0.049 123 HG2 GLU 19 1HG GLU 19 -0.016 -10.862 1.877 124 HG3 GLU 19 2HG GLU 19 0.800 -10.525 0.351 125 H THR 20 H THR 20 -2.267 -6.883 1.751 126 HA THR 20 HA THR 20 -4.972 -6.472 0.869 127 HB THR 20 HB THR 20 -2.808 -4.425 1.391 128 HG1 THR 20 1HG THR 20 -3.151 -5.190 3.362 129 HG21 THR 20 3HG2 THR 20 -5.739 -4.241 0.820 130 HG22 THR 20 1HG2 THR 20 -4.413 -3.261 0.194 131 HG23 THR 20 2HG2 THR 20 -4.968 -3.037 1.853 132 H VAL 21 H VAL 21 -5.643 -6.189 -1.151 133 HA VAL 21 HA VAL 21 -3.680 -5.338 -3.180 134 HB VAL 21 HB VAL 21 -5.900 -7.361 -3.490 135 HG11 VAL 21 1HG1 VAL 21 -4.273 -7.266 -5.791 136 HG12 VAL 21 2HG1 VAL 21 -5.980 -6.844 -5.648 137 HG13 VAL 21 3HG1 VAL 21 -4.743 -5.606 -5.426 138 HG21 VAL 21 3HG2 VAL 21 -2.916 -7.650 -3.826 139 HG22 VAL 21 1HG2 VAL 21 -3.835 -8.181 -2.418 140 HG23 VAL 21 2HG2 VAL 21 -4.122 -8.926 -3.991 141 H VAL 22 H VAL 22 -4.199 -3.543 -4.238 142 HA VAL 22 HA VAL 22 -7.015 -2.667 -4.210 143 HB VAL 22 HB VAL 22 -5.949 -0.336 -4.567 144 HG11 VAL 22 1HG1 VAL 22 -6.396 -1.910 -2.146 145 HG12 VAL 22 2HG1 VAL 22 -5.330 -0.523 -1.908 146 HG13 VAL 22 3HG1 VAL 22 -6.951 -0.289 -2.565 147 HG21 VAL 22 3HG2 VAL 22 -3.741 0.007 -3.815 148 HG22 VAL 22 1HG2 VAL 22 -3.626 -1.628 -3.162 149 HG23 VAL 22 2HG2 VAL 22 -3.654 -1.376 -4.907 150 H ILE 23 H ILE 23 -7.776 -1.504 -6.060 151 HA ILE 23 HA ILE 23 -6.260 -2.106 -8.516 152 HB ILE 23 HB ILE 23 -9.263 -1.902 -8.316 153 HG12 ILE 23 1HG1 ILE 23 -8.927 -4.492 -8.789 154 HG13 ILE 23 2HG1 ILE 23 -7.409 -4.212 -7.942 155 HG21 ILE 23 1HG2 ILE 23 -9.310 -2.738 -10.528 156 HG22 ILE 23 2HG2 ILE 23 -8.104 -1.453 -10.513 157 HG23 ILE 23 3HG2 ILE 23 -7.594 -3.141 -10.489 158 HD11 ILE 23 3HD1 ILE 23 -9.568 -4.959 -6.663 159 HD12 ILE 23 1HD1 ILE 23 -8.439 -3.809 -5.949 160 HD13 ILE 23 2HD1 ILE 23 -9.925 -3.232 -6.705 161 H ALA 24 H ALA 24 -6.269 -0.581 -10.178 162 HA ALA 24 HA ALA 24 -6.804 2.148 -9.287 163 HB1 ALA 24 3HB ALA 24 -5.492 2.788 -11.306 164 HB2 ALA 24 1HB ALA 24 -4.604 1.789 -10.156 165 HB3 ALA 24 2HB ALA 24 -5.249 1.072 -11.633 166 H LEU 25 H LEU 25 -8.660 3.082 -9.807 167 HA LEU 25 HA LEU 25 -10.537 2.006 -11.597 168 HB2 LEU 25 1HB LEU 25 -10.319 4.831 -10.567 169 HB3 LEU 25 2HB LEU 25 -11.745 4.115 -11.315 170 HG LEU 25 HG LEU 25 -10.627 2.840 -8.865 171 HD11 LEU 25 1HD1 LEU 25 -11.846 4.335 -7.424 172 HD12 LEU 25 2HD1 LEU 25 -12.397 5.279 -8.808 173 HD13 LEU 25 3HD1 LEU 25 -10.687 5.262 -8.377 174 HD21 LEU 25 3HD2 LEU 25 -13.500 3.334 -9.538 175 HD22 LEU 25 1HD2 LEU 25 -12.780 2.037 -8.583 176 HD23 LEU 25 2HD2 LEU 25 -12.603 2.042 -10.338 177 H TYR 26 H TYR 26 -7.935 4.282 -12.037 178 HA TYR 26 HA TYR 26 -8.474 4.274 -14.917 179 HB2 TYR 26 1HB TYR 26 -7.566 6.817 -13.614 180 HB3 TYR 26 2HB TYR 26 -8.361 6.587 -15.167 181 HD1 TYR 26 2HD TYR 26 -8.882 6.719 -11.520 182 HD2 TYR 26 1HD TYR 26 -10.745 6.542 -15.341 183 HE1 TYR 26 2HE TYR 26 -11.046 7.254 -10.483 184 HE2 TYR 26 1HE TYR 26 -12.915 7.078 -14.315 185 HH TYR 26 HH TYR 26 -13.905 6.738 -11.821 186 H ASP 27 H ASP 27 -6.544 5.254 -16.122 187 HA ASP 27 HA ASP 27 -4.138 4.007 -15.046 188 HB2 ASP 27 1HB ASP 27 -3.248 4.156 -17.284 189 HB3 ASP 27 2HB ASP 27 -4.890 3.524 -17.376 190 H TYR 28 H TYR 28 -3.421 5.464 -13.509 191 HA TYR 28 HA TYR 28 -3.186 8.254 -13.970 192 HB2 TYR 28 1HB TYR 28 -3.323 7.385 -11.708 193 HB3 TYR 28 2HB TYR 28 -1.839 6.466 -11.936 194 HD1 TYR 28 2HD TYR 28 -2.963 10.016 -12.338 195 HD2 TYR 28 1HD TYR 28 0.027 7.343 -10.918 196 HE1 TYR 28 2HE TYR 28 -1.660 11.927 -11.503 197 HE2 TYR 28 1HE TYR 28 1.338 9.246 -10.078 198 HH TYR 28 HH TYR 28 1.494 11.803 -10.726 199 H GLN 29 H GLN 29 -1.163 9.468 -14.036 200 HA GLN 29 HA GLN 29 1.138 8.038 -15.122 201 HB2 GLN 29 1HB GLN 29 1.330 9.578 -17.025 202 HB3 GLN 29 2HB GLN 29 -0.163 8.651 -17.093 203 HG2 GLN 29 1HG GLN 29 -1.433 10.535 -16.324 204 HG3 GLN 29 2HG GLN 29 0.039 11.466 -16.053 205 HE21 GLN 29 1HE2 GLN 29 -1.829 12.607 -17.556 206 HE22 GLN 29 2HE2 GLN 29 -1.383 12.608 -19.225 207 H THR 30 H THR 30 3.106 9.174 -14.961 208 HA THR 30 HA THR 30 3.108 11.796 -13.708 209 HB THR 30 HB THR 30 3.057 10.646 -11.684 210 HG1 THR 30 1HG THR 30 5.852 10.561 -12.108 211 HG21 THR 30 3HG2 THR 30 4.465 8.598 -11.271 212 HG22 THR 30 1HG2 THR 30 4.804 8.570 -13.001 213 HG23 THR 30 2HG2 THR 30 3.148 8.381 -12.423 214 H ASN 31 H ASN 31 5.000 12.933 -14.021 215 HA ASN 31 HA ASN 31 6.814 11.796 -15.996 216 HB2 ASN 31 1HB ASN 31 5.795 14.086 -16.266 217 HB3 ASN 31 2HB ASN 31 6.780 14.615 -14.906 218 HD21 ASN 31 1HD2 ASN 31 8.399 15.784 -15.623 219 HD22 ASN 31 2HD2 ASN 31 9.386 15.426 -16.995 220 H ASP 32 H ASP 32 6.691 12.408 -12.644 221 HA ASP 32 HA ASP 32 9.579 12.525 -12.324 222 HB2 ASP 32 1HB ASP 32 7.350 12.512 -10.278 223 HB3 ASP 32 2HB ASP 32 9.060 12.705 -9.904 224 HA PRO 33 HA PRO 33 10.156 8.202 -11.767 225 HB2 PRO 33 1HB PRO 33 12.387 8.241 -10.222 226 HB3 PRO 33 2HB PRO 33 12.406 8.627 -11.947 227 HG2 PRO 33 1HG PRO 33 12.378 10.476 -9.593 228 HG3 PRO 33 2HG PRO 33 13.331 10.579 -11.085 229 HD2 PRO 33 1HD PRO 33 11.088 12.043 -10.684 230 HD3 PRO 33 2HD PRO 33 11.579 11.468 -12.290 231 H GLN 34 H GLN 34 10.491 10.184 -8.828 232 HA GLN 34 HA GLN 34 10.224 8.246 -6.898 233 HB2 GLN 34 1HB GLN 34 9.230 11.091 -6.950 234 HB3 GLN 34 2HB GLN 34 9.117 10.078 -5.517 235 HG2 GLN 34 1HG GLN 34 11.060 11.332 -5.216 236 HG3 GLN 34 2HG GLN 34 11.623 9.746 -5.740 237 HE21 GLN 34 1HE2 GLN 34 13.585 10.889 -6.293 238 HE22 GLN 34 2HE2 GLN 34 13.692 11.707 -7.811 239 H GLU 35 H GLU 35 7.644 9.924 -8.658 240 HA GLU 35 HA GLU 35 5.579 8.429 -7.299 241 HB2 GLU 35 1HB GLU 35 5.597 10.505 -9.469 242 HB3 GLU 35 2HB GLU 35 4.136 9.594 -9.114 243 HG2 GLU 35 1HG GLU 35 4.133 10.405 -6.842 244 HG3 GLU 35 2HG GLU 35 5.663 11.238 -7.110 245 H LEU 36 H LEU 36 4.032 7.079 -8.417 246 HA LEU 36 HA LEU 36 5.222 5.672 -10.718 247 HB2 LEU 36 1HB LEU 36 5.239 4.306 -8.709 248 HB3 LEU 36 2HB LEU 36 3.510 4.571 -8.493 249 HG LEU 36 HG LEU 36 3.434 3.449 -10.905 250 HD11 LEU 36 1HD1 LEU 36 5.609 1.790 -9.774 251 HD12 LEU 36 2HD1 LEU 36 6.071 3.289 -10.578 252 HD13 LEU 36 3HD1 LEU 36 5.146 2.070 -11.453 253 HD21 LEU 36 3HD2 LEU 36 2.420 1.765 -9.825 254 HD22 LEU 36 1HD2 LEU 36 2.721 2.730 -8.380 255 HD23 LEU 36 2HD2 LEU 36 3.829 1.429 -8.817 256 H ALA 37 H ALA 37 3.925 5.149 -12.437 257 HA ALA 37 HA ALA 37 1.358 6.540 -12.547 258 HB1 ALA 37 3HB ALA 37 2.811 7.052 -14.361 259 HB2 ALA 37 1HB ALA 37 3.104 5.344 -14.689 260 HB3 ALA 37 2HB ALA 37 1.513 6.042 -14.999 261 H LEU 38 H LEU 38 -0.285 5.351 -11.789 262 HA LEU 38 HA LEU 38 -0.383 2.527 -11.817 263 HB2 LEU 38 1HB LEU 38 -2.498 4.627 -11.412 264 HB3 LEU 38 2HB LEU 38 -2.829 2.900 -11.289 265 HG LEU 38 HG LEU 38 -0.870 4.406 -9.558 266 HD11 LEU 38 1HD1 LEU 38 -2.539 4.154 -7.791 267 HD12 LEU 38 2HD1 LEU 38 -3.664 3.450 -8.952 268 HD13 LEU 38 3HD1 LEU 38 -3.154 5.129 -9.126 269 HD21 LEU 38 3HD2 LEU 38 -1.789 1.558 -9.683 270 HD22 LEU 38 1HD2 LEU 38 -1.213 2.261 -8.171 271 HD23 LEU 38 2HD2 LEU 38 -0.148 2.197 -9.576 272 H ARG 39 H ARG 39 -2.110 1.245 -12.888 273 HA ARG 39 HA ARG 39 -2.664 2.247 -15.603 274 HB2 ARG 39 1HB ARG 39 -0.929 0.589 -15.776 275 HB3 ARG 39 2HB ARG 39 -1.822 -0.524 -14.748 276 HG2 ARG 39 1HG ARG 39 -3.337 -1.054 -16.414 277 HG3 ARG 39 2HG ARG 39 -3.000 0.419 -17.326 278 HD2 ARG 39 1HD ARG 39 -0.842 -0.421 -17.981 279 HD3 ARG 39 2HD ARG 39 -1.035 -1.835 -16.945 280 HE ARG 39 HE ARG 39 -3.164 -1.815 -18.735 281 HH11 ARG 39 1HH1 ARG 39 0.303 -2.120 -18.806 282 HH12 ARG 39 2HH1 ARG 39 0.317 -3.110 -20.228 283 HH21 ARG 39 1HH2 ARG 39 -3.158 -3.118 -20.607 284 HH22 ARG 39 2HH2 ARG 39 -1.652 -3.677 -21.252 285 H ARG 40 H ARG 40 -4.652 1.770 -16.492 286 HA ARG 40 HA ARG 40 -6.811 1.423 -14.718 287 HB2 ARG 40 1HB ARG 40 -7.038 2.642 -16.821 288 HB3 ARG 40 2HB ARG 40 -6.725 1.168 -17.729 289 HG2 ARG 40 1HG ARG 40 -8.781 0.193 -16.954 290 HG3 ARG 40 2HG ARG 40 -9.073 1.569 -15.889 291 HD2 ARG 40 1HD ARG 40 -9.660 2.956 -17.616 292 HD3 ARG 40 2HD ARG 40 -8.680 2.082 -18.792 293 HE ARG 40 HE ARG 40 -10.852 0.499 -17.863 294 HH11 ARG 40 1HH1 ARG 40 -10.032 3.110 -20.015 295 HH12 ARG 40 2HH1 ARG 40 -11.350 2.805 -21.097 296 HH21 ARG 40 1HH2 ARG 40 -12.591 0.087 -19.280 297 HH22 ARG 40 2HH2 ARG 40 -12.805 1.086 -20.678 298 H ASN 41 H ASN 41 -7.992 -0.319 -14.128 299 HA ASN 41 HA ASN 41 -8.500 -2.498 -13.720 300 HB2 ASN 41 1HB ASN 41 -7.674 -3.060 -16.567 301 HB3 ASN 41 2HB ASN 41 -8.885 -3.898 -15.602 302 HD21 ASN 41 1HD2 ASN 41 -9.441 -2.954 -18.122 303 HD22 ASN 41 2HD2 ASN 41 -10.570 -1.652 -18.009 304 H GLU 42 H GLU 42 -6.093 -1.893 -12.733 305 HA GLU 42 HA GLU 42 -4.584 -4.367 -13.164 306 HB2 GLU 42 1HB GLU 42 -3.549 -1.571 -13.405 307 HB3 GLU 42 2HB GLU 42 -2.490 -2.825 -12.776 308 HG2 GLU 42 1HG GLU 42 -3.887 -2.886 -15.441 309 HG3 GLU 42 2HG GLU 42 -2.190 -2.489 -15.174 310 H GLU 43 H GLU 43 -4.165 -5.366 -11.309 311 HA GLU 43 HA GLU 43 -4.872 -4.154 -8.813 312 HB2 GLU 43 1HB GLU 43 -3.833 -6.837 -9.649 313 HB3 GLU 43 2HB GLU 43 -3.821 -6.391 -7.949 314 HG2 GLU 43 1HG GLU 43 -6.173 -6.179 -7.889 315 HG3 GLU 43 2HG GLU 43 -6.294 -6.254 -9.646 316 H TYR 44 H TYR 44 -3.501 -3.821 -7.007 317 HA TYR 44 HA TYR 44 -0.625 -3.834 -7.451 318 HB2 TYR 44 1HB TYR 44 -2.204 -1.322 -6.885 319 HB3 TYR 44 2HB TYR 44 -0.464 -1.446 -6.649 320 HD1 TYR 44 1HD TYR 44 -3.162 -1.413 -9.152 321 HD2 TYR 44 2HD TYR 44 1.045 -1.430 -8.516 322 HE1 TYR 44 1HE TYR 44 -2.808 -0.831 -11.516 323 HE2 TYR 44 2HE TYR 44 1.411 -0.847 -10.877 324 HH TYR 44 HH TYR 44 0.214 -1.039 -13.027 325 H CYS 45 H CYS 45 0.530 -4.142 -5.612 326 HA CYS 45 HA CYS 45 -0.967 -4.765 -3.215 327 HB2 CYS 45 1HB CYS 45 1.802 -5.246 -4.197 328 HB3 CYS 45 2HB CYS 45 1.556 -5.215 -2.456 329 HG CYS 45 HG CYS 45 1.565 -7.875 -3.277 330 H LEU 46 H LEU 46 -0.948 -3.665 -1.320 331 HA LEU 46 HA LEU 46 0.093 -0.955 -1.392 332 HB2 LEU 46 1HB LEU 46 -2.159 -1.253 -0.609 333 HB3 LEU 46 2HB LEU 46 -1.628 -2.419 0.600 334 HG LEU 46 HG LEU 46 -0.400 -0.592 1.748 335 HD11 LEU 46 1HD1 LEU 46 -1.899 1.270 -0.076 336 HD12 LEU 46 2HD1 LEU 46 -0.211 0.825 -0.325 337 HD13 LEU 46 3HD1 LEU 46 -0.691 1.677 1.143 338 HD21 LEU 46 3HD2 LEU 46 -2.876 0.692 1.961 339 HD22 LEU 46 1HD2 LEU 46 -2.249 -0.607 2.976 340 HD23 LEU 46 2HD2 LEU 46 -3.242 -0.989 1.570 341 H LEU 47 H LEU 47 2.241 -0.902 -1.011 342 HA LEU 47 HA LEU 47 3.589 -2.625 0.796 343 HB2 LEU 47 1HB LEU 47 4.410 -0.003 -0.441 344 HB3 LEU 47 2HB LEU 47 5.485 -1.035 0.500 345 HG LEU 47 HG LEU 47 4.188 -1.758 -2.127 346 HD11 LEU 47 1HD1 LEU 47 5.877 -0.624 -3.020 347 HD12 LEU 47 2HD1 LEU 47 6.949 -1.857 -2.357 348 HD13 LEU 47 3HD1 LEU 47 6.638 -0.379 -1.447 349 HD21 LEU 47 3HD2 LEU 47 4.421 -3.809 -1.128 350 HD22 LEU 47 1HD2 LEU 47 5.790 -3.296 -0.141 351 HD23 LEU 47 2HD2 LEU 47 6.016 -3.624 -1.859 352 H ASP 48 H ASP 48 3.235 0.919 1.004 353 HA ASP 48 HA ASP 48 2.756 0.639 3.887 354 HB2 ASP 48 1HB ASP 48 5.071 1.174 3.818 355 HB3 ASP 48 2HB ASP 48 4.828 2.386 2.563 356 H SER 49 H SER 49 1.164 1.897 4.643 357 HA SER 49 HA SER 49 0.003 3.866 2.791 358 HB2 SER 49 1HB SER 49 -2.110 3.500 3.857 359 HB3 SER 49 2HB SER 49 -1.412 1.910 3.549 360 HG SER 49 HG SER 49 -2.317 2.272 5.709 361 H SER 50 H SER 50 2.271 4.372 4.573 362 HA SER 50 HA SER 50 1.825 5.622 6.928 363 HB2 SER 50 1HB SER 50 4.054 5.532 6.060 364 HB3 SER 50 2HB SER 50 3.615 6.509 4.659 365 HG SER 50 HG SER 50 3.897 7.304 7.353 366 H GLU 51 H GLU 51 1.660 7.327 3.795 367 HA GLU 51 HA GLU 51 0.346 9.589 5.001 368 HB2 GLU 51 1HB GLU 51 1.356 8.889 2.291 369 HB3 GLU 51 2HB GLU 51 0.098 10.113 2.397 370 HG2 GLU 51 1HG GLU 51 2.121 11.289 2.413 371 HG3 GLU 51 2HG GLU 51 1.567 11.287 4.086 372 H ILE 52 H ILE 52 -1.597 10.447 3.500 373 HA ILE 52 HA ILE 52 -3.602 8.291 3.552 374 HB ILE 52 HB ILE 52 -4.056 11.268 3.793 375 HG12 ILE 52 1HG1 ILE 52 -4.298 9.138 5.926 376 HG13 ILE 52 2HG1 ILE 52 -2.898 10.190 5.745 377 HG21 ILE 52 1HG2 ILE 52 -5.854 8.924 3.566 378 HG22 ILE 52 2HG2 ILE 52 -6.317 10.195 4.695 379 HG23 ILE 52 3HG2 ILE 52 -6.067 10.577 2.992 380 HD11 ILE 52 3HD1 ILE 52 -5.271 10.667 7.179 381 HD12 ILE 52 1HD1 ILE 52 -3.891 11.742 6.957 382 HD13 ILE 52 2HD1 ILE 52 -5.243 11.796 5.825 383 H HIS 53 H HIS 53 -2.849 11.323 1.830 384 HA HIS 53 HA HIS 53 -4.531 10.670 -0.389 385 HB2 HIS 53 1HB HIS 53 -2.323 12.696 -0.538 386 HB3 HIS 53 2HB HIS 53 -3.917 12.735 -1.284 387 HD1 HIS 53 1HD HIS 53 -5.883 13.582 0.161 388 HD2 HIS 53 2HD HIS 53 -2.208 13.638 2.097 389 HE1 HIS 53 1HE HIS 53 -6.235 14.963 2.232 390 HE2 HIS 53 2HE HIS 53 -3.977 15.054 3.344 391 H TRP 54 H TRP 54 -1.129 10.307 0.362 392 HA TRP 54 HA TRP 54 -0.720 9.048 -2.271 393 HB2 TRP 54 1HB TRP 54 1.384 10.209 -0.433 394 HB3 TRP 54 2HB TRP 54 1.643 9.570 -2.054 395 HD1 TRP 54 HD TRP 54 1.081 12.746 -0.295 396 HE1 TRP 54 1HE TRP 54 0.502 14.625 -1.957 397 HE3 TRP 54 3HE TRP 54 0.120 9.902 -4.434 398 HZ2 TRP 54 2HZ TRP 54 -0.261 14.869 -4.663 399 HZ3 TRP 54 3HZ TRP 54 -0.529 11.036 -6.519 400 HH2 TRP 54 HH TRP 54 -0.716 13.468 -6.629 401 H TRP 55 H TRP 55 -0.487 6.918 -2.279 402 HA TRP 55 HA TRP 55 0.417 5.597 0.196 403 HB2 TRP 55 1HB TRP 55 -1.745 4.903 -1.744 404 HB3 TRP 55 2HB TRP 55 -0.882 3.592 -0.946 405 HD1 TRP 55 HD TRP 55 -1.066 6.415 1.397 406 HE1 TRP 55 1HE TRP 55 -2.965 6.072 3.099 407 HE3 TRP 55 3HE TRP 55 -3.541 2.583 -0.911 408 HZ2 TRP 55 2HZ TRP 55 -5.215 4.398 3.422 409 HZ3 TRP 55 3HZ TRP 55 -5.558 1.667 0.161 410 HH2 TRP 55 HH TRP 55 -6.376 2.557 2.283 411 H ARG 56 H ARG 56 1.924 3.963 0.046 412 HA ARG 56 HA ARG 56 3.446 3.910 -2.438 413 HB2 ARG 56 1HB ARG 56 4.385 4.181 -0.009 414 HB3 ARG 56 2HB ARG 56 4.239 2.429 0.042 415 HG2 ARG 56 1HG ARG 56 5.666 2.284 -1.965 416 HG3 ARG 56 2HG ARG 56 5.865 4.037 -1.915 417 HD2 ARG 56 1HD ARG 56 6.917 3.889 0.259 418 HD3 ARG 56 2HD ARG 56 6.629 2.150 0.310 419 HE ARG 56 HE ARG 56 8.155 2.919 -1.974 420 HH11 ARG 56 1HH1 ARG 56 8.350 2.266 1.440 421 HH12 ARG 56 2HH1 ARG 56 10.022 1.817 1.391 422 HH21 ARG 56 1HH2 ARG 56 10.357 2.330 -2.051 423 HH22 ARG 56 2HH2 ARG 56 11.164 1.855 -0.595 424 H VAL 57 H VAL 57 2.955 2.427 -3.905 425 HA VAL 57 HA VAL 57 2.141 -0.252 -2.979 426 HB VAL 57 HB VAL 57 0.808 -0.496 -5.012 427 HG11 VAL 57 1HG1 VAL 57 0.282 1.579 -2.996 428 HG12 VAL 57 2HG1 VAL 57 -0.720 1.663 -4.447 429 HG13 VAL 57 3HG1 VAL 57 -0.690 0.189 -3.478 430 HG21 VAL 57 3HG2 VAL 57 2.150 2.013 -5.711 431 HG22 VAL 57 1HG2 VAL 57 1.479 0.756 -6.749 432 HG23 VAL 57 2HG2 VAL 57 0.422 1.990 -6.062 433 H GLN 58 H GLN 58 2.460 -1.917 -4.819 434 HA GLN 58 HA GLN 58 4.950 -1.384 -6.280 435 HB2 GLN 58 1HB GLN 58 5.695 -2.556 -4.341 436 HB3 GLN 58 2HB GLN 58 4.385 -3.723 -4.462 437 HG2 GLN 58 1HG GLN 58 5.470 -4.287 -6.759 438 HG3 GLN 58 2HG GLN 58 6.893 -3.519 -6.059 439 HE21 GLN 58 1HE2 GLN 58 7.280 -4.301 -3.705 440 HE22 GLN 58 2HE2 GLN 58 7.240 -6.014 -3.493 441 H ASP 59 H ASP 59 4.680 -1.798 -8.361 442 HA ASP 59 HA ASP 59 2.379 -3.028 -9.420 443 HB2 ASP 59 1HB ASP 59 3.343 -1.579 -10.932 444 HB3 ASP 59 2HB ASP 59 4.983 -2.086 -10.536 445 H ARG 60 H ARG 60 2.554 -4.891 -11.042 446 HA ARG 60 HA ARG 60 3.243 -7.233 -9.637 447 HB2 ARG 60 1HB ARG 60 1.477 -7.251 -11.293 448 HB3 ARG 60 2HB ARG 60 2.611 -6.806 -12.561 449 HG2 ARG 60 1HG ARG 60 2.471 -9.040 -12.945 450 HG3 ARG 60 2HG ARG 60 3.803 -9.031 -11.787 451 HD2 ARG 60 1HD ARG 60 2.077 -9.376 -9.981 452 HD3 ARG 60 2HD ARG 60 0.905 -9.657 -11.268 453 HE ARG 60 HE ARG 60 1.869 -11.711 -11.671 454 HH11 ARG 60 1HH1 ARG 60 3.855 -9.870 -9.484 455 HH12 ARG 60 2HH1 ARG 60 4.869 -11.212 -9.069 456 HH21 ARG 60 1HH2 ARG 60 3.197 -13.486 -11.133 457 HH22 ARG 60 2HH2 ARG 60 4.495 -13.268 -10.008 458 H ASN 61 H ASN 61 4.853 -5.480 -12.254 459 HA ASN 61 HA ASN 61 6.927 -7.375 -12.645 460 HB2 ASN 61 1HB ASN 61 7.006 -4.412 -13.246 461 HB3 ASN 61 2HB ASN 61 8.005 -5.666 -13.974 462 HD21 ASN 61 1HD2 ASN 61 7.357 -6.468 -15.837 463 HD22 ASN 61 2HD2 ASN 61 5.764 -6.343 -16.495 464 H GLY 62 H GLY 62 6.803 -4.296 -10.858 465 HA2 GLY 62 1HA GLY 62 8.010 -4.752 -8.580 466 HA3 GLY 62 2HA GLY 62 9.397 -4.926 -9.646 467 H HIS 63 H HIS 63 6.787 -2.634 -10.157 468 HA HIS 63 HA HIS 63 8.729 -0.459 -9.770 469 HB2 HIS 63 1HB HIS 63 6.121 -0.152 -11.229 470 HB3 HIS 63 2HB HIS 63 7.597 0.794 -11.393 471 HD1 HIS 63 1HD HIS 63 6.093 -0.558 -13.797 472 HD2 HIS 63 2HD HIS 63 9.413 -2.113 -11.842 473 HE1 HIS 63 1HE HIS 63 7.175 -2.118 -15.446 474 HE2 HIS 63 2HE HIS 63 9.132 -3.112 -14.211 475 H GLU 64 H GLU 64 8.526 0.647 -7.948 476 HA GLU 64 HA GLU 64 5.869 0.828 -6.695 477 HB2 GLU 64 1HB GLU 64 8.560 1.235 -5.384 478 HB3 GLU 64 2HB GLU 64 6.998 1.158 -4.581 479 HG2 GLU 64 1HG GLU 64 7.741 -0.950 -4.185 480 HG3 GLU 64 2HG GLU 64 6.907 -1.213 -5.716 481 H GLY 65 H GLY 65 5.774 2.881 -5.199 482 HA2 GLY 65 1HA GLY 65 7.019 5.228 -5.472 483 HA3 GLY 65 2HA GLY 65 6.139 5.143 -6.992 484 H TYR 66 H TYR 66 5.358 7.223 -5.834 485 HA TYR 66 HA TYR 66 3.226 6.678 -3.915 486 HB2 TYR 66 1HB TYR 66 4.351 9.283 -4.960 487 HB3 TYR 66 2HB TYR 66 3.066 9.157 -3.764 488 HD1 TYR 66 1HD TYR 66 3.830 7.299 -1.829 489 HD2 TYR 66 2HD TYR 66 6.367 9.899 -4.045 490 HE1 TYR 66 1HE TYR 66 5.508 7.181 -0.035 491 HE2 TYR 66 2HE TYR 66 8.052 9.788 -2.257 492 HH TYR 66 HH TYR 66 7.402 8.588 0.810 493 H VAL 67 H VAL 67 1.122 6.690 -4.412 494 HA VAL 67 HA VAL 67 0.266 7.846 -6.971 495 HB VAL 67 HB VAL 67 -1.314 5.847 -7.191 496 HG11 VAL 67 1HG1 VAL 67 1.647 5.716 -7.653 497 HG12 VAL 67 2HG1 VAL 67 0.576 4.414 -8.171 498 HG13 VAL 67 3HG1 VAL 67 0.358 6.043 -8.811 499 HG21 VAL 67 3HG2 VAL 67 -0.896 4.984 -4.902 500 HG22 VAL 67 1HG2 VAL 67 -0.645 3.776 -6.162 501 HG23 VAL 67 2HG2 VAL 67 0.741 4.556 -5.399 502 HA PRO 68 HA PRO 68 -3.063 9.538 -4.656 503 HB2 PRO 68 1HB PRO 68 -4.966 9.718 -6.584 504 HB3 PRO 68 2HB PRO 68 -3.556 10.782 -6.524 505 HG2 PRO 68 1HG PRO 68 -4.016 8.339 -8.191 506 HG3 PRO 68 2HG PRO 68 -3.304 9.894 -8.658 507 HD2 PRO 68 1HD PRO 68 -1.801 7.711 -8.102 508 HD3 PRO 68 2HD PRO 68 -1.247 9.364 -7.762 509 H SER 69 H SER 69 -3.796 8.099 -3.156 510 HA SER 69 HA SER 69 -4.806 5.608 -3.390 511 HB2 SER 69 1HB SER 69 -6.016 5.955 -1.325 512 HB3 SER 69 2HB SER 69 -4.510 6.869 -1.248 513 HG SER 69 HG SER 69 -7.064 7.918 -1.912 514 H SER 70 H SER 70 -6.410 8.568 -4.291 515 HA SER 70 HA SER 70 -9.053 7.842 -4.414 516 HB2 SER 70 1HB SER 70 -7.795 10.052 -5.127 517 HB3 SER 70 2HB SER 70 -7.900 9.336 -6.736 518 HG SER 70 HG SER 70 -9.933 10.253 -5.051 519 H TYR 71 H TYR 71 -6.552 7.236 -6.860 520 HA TYR 71 HA TYR 71 -8.274 5.902 -8.675 521 HB2 TYR 71 1HB TYR 71 -5.283 6.027 -8.362 522 HB3 TYR 71 2HB TYR 71 -6.034 5.006 -9.583 523 HD1 TYR 71 1HD TYR 71 -6.828 8.458 -8.393 524 HD2 TYR 71 2HD TYR 71 -5.687 5.974 -11.654 525 HE1 TYR 71 1HE TYR 71 -6.976 10.390 -9.909 526 HE2 TYR 71 2HE TYR 71 -5.830 7.899 -13.178 527 HH TYR 71 HH TYR 71 -5.893 11.027 -12.189 528 H LEU 72 H LEU 72 -6.109 4.784 -6.114 529 HA LEU 72 HA LEU 72 -6.446 2.015 -6.629 530 HB2 LEU 72 1HB LEU 72 -5.667 3.397 -4.065 531 HB3 LEU 72 2HB LEU 72 -5.455 1.684 -4.423 532 HG LEU 72 HG LEU 72 -4.099 3.889 -5.967 533 HD11 LEU 72 1HD1 LEU 72 -3.250 4.095 -3.777 534 HD12 LEU 72 2HD1 LEU 72 -2.069 3.132 -4.664 535 HD13 LEU 72 3HD1 LEU 72 -3.190 2.346 -3.552 536 HD21 LEU 72 3HD2 LEU 72 -4.492 1.363 -6.748 537 HD22 LEU 72 1HD2 LEU 72 -3.036 1.136 -5.779 538 HD23 LEU 72 2HD2 LEU 72 -3.027 2.269 -7.131 539 H VAL 73 H VAL 73 -7.790 0.507 -5.695 540 HA VAL 73 HA VAL 73 -9.820 1.424 -3.800 541 HB VAL 73 HB VAL 73 -11.674 0.773 -5.045 542 HG11 VAL 73 1HG1 VAL 73 -10.349 2.797 -5.937 543 HG12 VAL 73 2HG1 VAL 73 -9.965 1.749 -7.304 544 HG13 VAL 73 3HG1 VAL 73 -11.646 2.133 -6.931 545 HG21 VAL 73 3HG2 VAL 73 -11.244 -0.396 -7.352 546 HG22 VAL 73 1HG2 VAL 73 -9.726 -0.871 -6.591 547 HG23 VAL 73 2HG2 VAL 73 -11.262 -1.337 -5.861 548 H GLU 74 H GLU 74 -10.330 -0.071 -2.306 549 HA GLU 74 HA GLU 74 -8.805 -2.432 -2.082 550 HB2 GLU 74 1HB GLU 74 -10.075 -0.986 -0.281 551 HB3 GLU 74 2HB GLU 74 -11.383 -2.115 -0.603 552 HG2 GLU 74 1HG GLU 74 -9.477 -3.895 -0.229 553 HG3 GLU 74 2HG GLU 74 -8.750 -2.576 0.685 554 H LYS 75 H LYS 75 -9.046 -4.287 -3.118 555 HA LYS 75 HA LYS 75 -11.212 -4.876 -4.812 556 HB2 LYS 75 1HB LYS 75 -8.839 -5.806 -4.905 557 HB3 LYS 75 2HB LYS 75 -9.334 -6.923 -3.640 558 HG2 LYS 75 1HG LYS 75 -11.033 -7.860 -5.087 559 HG3 LYS 75 2HG LYS 75 -10.632 -6.691 -6.348 560 HD2 LYS 75 1HD LYS 75 -8.427 -7.640 -6.588 561 HD3 LYS 75 2HD LYS 75 -8.709 -8.727 -5.226 562 HE2 LYS 75 1HE LYS 75 -10.509 -9.818 -6.480 563 HE3 LYS 75 2HE LYS 75 -10.220 -8.733 -7.839 564 HZ1 LYS 75 3HZ LYS 75 -7.796 -9.951 -7.113 565 HZ2 LYS 75 1HZ LYS 75 -8.654 -10.095 -8.564 566 HZ3 LYS 75 2HZ LYS 75 -8.966 -11.160 -7.288 567 H SER 76 H SER 76 -13.207 -5.432 -4.274 568 HA SER 76 HA SER 76 -13.960 -6.189 -1.651 569 HB2 SER 76 1HB SER 76 -15.335 -5.099 -3.640 570 HB3 SER 76 2HB SER 76 -15.745 -6.781 -3.973 571 HG SER 76 HG SER 76 -16.028 -5.603 -1.413 572 HA PRO 77 HA PRO 77 -13.274 -10.536 -1.719 573 HB2 PRO 77 1HB PRO 77 -15.057 -11.284 0.187 574 HB3 PRO 77 2HB PRO 77 -13.539 -10.460 0.562 575 HG2 PRO 77 1HG PRO 77 -16.301 -9.329 0.336 576 HG3 PRO 77 2HG PRO 77 -15.050 -8.992 1.546 577 HD2 PRO 77 1HD PRO 77 -15.545 -7.335 -0.537 578 HD3 PRO 77 2HD PRO 77 -13.925 -7.533 0.161 579 H ASN 78 H ASN 78 -16.588 -9.325 -1.940 580 HA ASN 78 HA ASN 78 -17.338 -11.761 -3.412 581 HB2 ASN 78 1HB ASN 78 -19.620 -11.340 -2.804 582 HB3 ASN 78 2HB ASN 78 -18.649 -11.200 -1.341 583 HD21 ASN 78 1HD2 ASN 78 -20.511 -9.493 -3.724 584 HD22 ASN 78 2HD2 ASN 78 -20.651 -8.011 -2.846 585 H ASN 79 H ASN 79 -18.717 -11.517 -5.281 586 HA ASN 79 HA ASN 79 -19.302 -10.620 -7.289 587 HB2 ASN 79 1HB ASN 79 -20.155 -8.784 -5.580 588 HB3 ASN 79 2HB ASN 79 -18.871 -7.829 -6.316 589 HD21 ASN 79 1HD2 ASN 79 -20.198 -6.394 -7.335 590 HD22 ASN 79 2HD2 ASN 79 -21.230 -6.824 -8.653 591 H LEU 80 H LEU 80 -16.706 -11.421 -7.043 592 HA LEU 80 HA LEU 80 -14.715 -9.571 -7.642 593 HB2 LEU 80 1HB LEU 80 -15.053 -12.482 -8.264 594 HB3 LEU 80 2HB LEU 80 -13.644 -11.591 -8.836 595 HG LEU 80 HG LEU 80 -13.252 -10.983 -6.384 596 HD11 LEU 80 1HD1 LEU 80 -15.038 -11.519 -5.113 597 HD12 LEU 80 2HD1 LEU 80 -14.221 -13.079 -5.026 598 HD13 LEU 80 3HD1 LEU 80 -15.538 -12.838 -6.173 599 HD21 LEU 80 3HD2 LEU 80 -12.321 -12.999 -7.951 600 HD22 LEU 80 1HD2 LEU 80 -12.930 -13.893 -6.558 601 HD23 LEU 80 2HD2 LEU 80 -11.724 -12.625 -6.333 602 H GLU 81 H GLU 81 -14.548 -8.216 -9.291 603 HA GLU 81 HA GLU 81 -15.908 -8.848 -11.807 604 HB2 GLU 81 1HB GLU 81 -15.505 -6.439 -12.338 605 HB3 GLU 81 2HB GLU 81 -16.502 -6.704 -10.914 606 HG2 GLU 81 1HG GLU 81 -13.553 -6.263 -10.670 607 HG3 GLU 81 2HG GLU 81 -14.671 -4.909 -10.825 608 H THR 82 H THR 82 -13.991 -10.466 -11.933 609 HA THR 82 HA THR 82 -11.559 -9.215 -12.961 610 HB THR 82 HB THR 82 -11.977 -12.183 -12.767 611 HG1 THR 82 1HG THR 82 -11.132 -10.483 -10.639 612 HG21 THR 82 3HG2 THR 82 -9.580 -10.362 -12.547 613 HG22 THR 82 1HG2 THR 82 -9.957 -11.468 -13.867 614 HG23 THR 82 2HG2 THR 82 -9.535 -12.104 -12.277 615 H TYR 83 H TYR 83 -14.343 -9.563 -14.311 616 HA TYR 83 HA TYR 83 -14.144 -11.285 -16.482 617 HB2 TYR 83 1HB TYR 83 -15.665 -8.782 -15.927 618 HB3 TYR 83 2HB TYR 83 -15.616 -9.363 -17.588 619 HD1 TYR 83 2HD TYR 83 -16.730 -10.131 -14.167 620 HD2 TYR 83 1HD TYR 83 -16.796 -11.351 -18.243 621 HE1 TYR 83 2HE TYR 83 -18.535 -11.721 -13.656 622 HE2 TYR 83 1HE TYR 83 -18.603 -12.943 -17.743 623 HH TYR 83 HH TYR 83 -20.191 -13.496 -16.185 624 H GLU 84 H GLU 84 -13.003 -11.292 -18.313 625 HA GLU 84 HA GLU 84 -11.620 -8.817 -19.109 626 HB2 GLU 84 1HB GLU 84 -9.714 -10.235 -19.853 627 HB3 GLU 84 2HB GLU 84 -9.965 -10.251 -18.113 628 HG2 GLU 84 1HG GLU 84 -11.251 -12.397 -18.445 629 HG3 GLU 84 2HG GLU 84 -10.640 -12.399 -20.098 630 H TRP 85 H TRP 85 -12.546 -8.175 -20.939 631 HA TRP 85 HA TRP 85 -13.722 -10.064 -22.781 632 HB2 TRP 85 1HB TRP 85 -14.609 -8.187 -23.919 633 HB3 TRP 85 2HB TRP 85 -14.667 -7.764 -22.210 634 HD1 TRP 85 HD TRP 85 -13.061 -6.744 -25.490 635 HE1 TRP 85 1HE TRP 85 -11.767 -4.546 -25.147 636 HE3 TRP 85 3HE TRP 85 -13.329 -6.429 -20.394 637 HZ2 TRP 85 2HZ TRP 85 -10.966 -2.897 -23.001 638 HZ3 TRP 85 3HZ TRP 85 -12.272 -4.510 -19.274 639 HH2 TRP 85 HH TRP 85 -11.115 -2.782 -20.552 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -4.011 -37.794 -4.002 2 HA2 GLY 1 1HA GLY 1 -1.904 -37.270 -2.520 3 HA3 GLY 1 2HA GLY 1 -3.270 -36.165 -2.479 4 H SER 2 H SER 2 -1.629 -38.771 -0.823 5 HA SER 2 HA SER 2 -3.374 -39.118 1.333 6 HB2 SER 2 1HB SER 2 -1.410 -40.023 2.536 7 HB3 SER 2 2HB SER 2 -1.526 -40.657 0.894 8 HG SER 2 HG SER 2 0.589 -39.719 1.815 9 H SER 3 H SER 3 -0.544 -36.983 1.026 10 HA SER 3 HA SER 3 -1.214 -35.678 3.541 11 HB2 SER 3 1HB SER 3 0.891 -34.441 3.208 12 HB3 SER 3 2HB SER 3 1.143 -36.181 3.076 13 HG SER 3 HG SER 3 2.192 -35.218 1.371 14 H GLY 4 H GLY 4 -1.441 -33.358 3.696 15 HA2 GLY 4 1HA GLY 4 -1.752 -31.220 2.598 16 HA3 GLY 4 2HA GLY 4 -2.376 -32.088 1.203 17 H SER 5 H SER 5 -3.331 -30.063 3.472 18 HA SER 5 HA SER 5 -5.881 -31.403 4.042 19 HB2 SER 5 1HB SER 5 -4.556 -28.991 5.295 20 HB3 SER 5 2HB SER 5 -6.198 -29.508 5.680 21 HG SER 5 HG SER 5 -3.753 -30.706 6.304 22 H SER 6 H SER 6 -7.866 -30.311 3.694 23 HA SER 6 HA SER 6 -7.887 -27.851 2.175 24 HB2 SER 6 1HB SER 6 -7.540 -29.923 0.592 25 HB3 SER 6 2HB SER 6 -9.267 -30.160 0.855 26 HG SER 6 HG SER 6 -8.920 -28.851 -0.956 27 H GLY 7 H GLY 7 -10.043 -26.994 1.873 28 HA2 GLY 7 1HA GLY 7 -12.066 -28.269 3.603 29 HA3 GLY 7 2HA GLY 7 -11.705 -26.555 3.745 30 H GLU 8 H GLU 8 -11.987 -28.487 0.792 31 HA GLU 8 HA GLU 8 -13.181 -28.067 -1.117 32 HB2 GLU 8 1HB GLU 8 -14.792 -29.115 0.703 33 HB3 GLU 8 2HB GLU 8 -15.585 -27.551 0.576 34 HG2 GLU 8 1HG GLU 8 -15.151 -29.562 -1.614 35 HG3 GLU 8 2HG GLU 8 -16.681 -29.070 -0.893 36 H ASP 9 H ASP 9 -11.853 -25.782 -0.288 37 HA ASP 9 HA ASP 9 -13.612 -23.527 -0.189 38 HB2 ASP 9 1HB ASP 9 -11.127 -23.782 0.632 39 HB3 ASP 9 2HB ASP 9 -10.745 -23.294 -1.017 40 H ASN 10 H ASN 10 -14.514 -22.439 -1.814 41 HA ASN 10 HA ASN 10 -13.988 -23.303 -4.536 42 HB2 ASN 10 1HB ASN 10 -15.926 -21.772 -5.069 43 HB3 ASN 10 2HB ASN 10 -16.303 -23.103 -3.978 44 HD21 ASN 10 1HD2 ASN 10 -16.533 -22.657 -1.740 45 HD22 ASN 10 2HD2 ASN 10 -16.967 -21.075 -1.199 46 H ARG 11 H ARG 11 -14.136 -20.193 -2.797 47 HA ARG 11 HA ARG 11 -12.962 -18.729 -4.944 48 HB2 ARG 11 1HB ARG 11 -13.001 -16.847 -3.475 49 HB3 ARG 11 2HB ARG 11 -14.473 -17.764 -3.184 50 HG2 ARG 11 1HG ARG 11 -12.079 -18.268 -1.483 51 HG3 ARG 11 2HG ARG 11 -13.072 -16.839 -1.192 52 HD2 ARG 11 1HD ARG 11 -15.037 -18.576 -1.297 53 HD3 ARG 11 2HD ARG 11 -13.759 -19.727 -0.905 54 HE ARG 11 HE ARG 11 -13.415 -17.792 0.944 55 HH11 ARG 11 1HH1 ARG 11 -16.188 -19.627 -0.088 56 HH12 ARG 11 2HH1 ARG 11 -16.961 -19.577 1.462 57 HH21 ARG 11 1HH2 ARG 11 -14.423 -17.719 2.989 58 HH22 ARG 11 2HH2 ARG 11 -15.956 -18.491 3.211 59 H ARG 12 H ARG 12 -10.937 -17.409 -4.595 60 HA ARG 12 HA ARG 12 -8.921 -18.426 -2.844 61 HB2 ARG 12 1HB ARG 12 -8.866 -20.228 -4.472 62 HB3 ARG 12 2HB ARG 12 -8.726 -19.072 -5.789 63 HG2 ARG 12 1HG ARG 12 -6.547 -19.662 -5.593 64 HG3 ARG 12 2HG ARG 12 -6.578 -18.340 -4.425 65 HD2 ARG 12 1HD ARG 12 -5.485 -20.071 -3.300 66 HD3 ARG 12 2HD ARG 12 -7.138 -20.136 -2.690 67 HE ARG 12 HE ARG 12 -7.386 -22.195 -3.668 68 HH11 ARG 12 1HH1 ARG 12 -4.534 -20.652 -4.935 69 HH12 ARG 12 2HH1 ARG 12 -3.984 -22.064 -5.774 70 HH21 ARG 12 1HH2 ARG 12 -6.673 -24.061 -4.769 71 HH22 ARG 12 2HH2 ARG 12 -5.202 -24.002 -5.680 72 HA PRO 13 HA PRO 13 -7.511 -14.314 -3.585 73 HB2 PRO 13 1HB PRO 13 -5.062 -14.525 -2.433 74 HB3 PRO 13 2HB PRO 13 -6.559 -14.434 -1.497 75 HG2 PRO 13 1HG PRO 13 -4.929 -16.834 -2.236 76 HG3 PRO 13 2HG PRO 13 -5.694 -16.435 -0.687 77 HD2 PRO 13 1HD PRO 13 -6.785 -18.183 -2.444 78 HD3 PRO 13 2HD PRO 13 -7.770 -17.153 -1.385 79 H LEU 14 H LEU 14 -5.765 -13.138 -4.657 80 HA LEU 14 HA LEU 14 -4.618 -14.720 -6.846 81 HB2 LEU 14 1HB LEU 14 -5.307 -11.815 -6.548 82 HB3 LEU 14 2HB LEU 14 -4.242 -12.381 -7.833 83 HG LEU 14 HG LEU 14 -6.245 -13.981 -8.377 84 HD11 LEU 14 1HD1 LEU 14 -7.345 -12.226 -6.351 85 HD12 LEU 14 2HD1 LEU 14 -8.008 -13.702 -7.051 86 HD13 LEU 14 3HD1 LEU 14 -8.256 -12.155 -7.859 87 HD21 LEU 14 3HD2 LEU 14 -5.718 -11.164 -9.098 88 HD22 LEU 14 1HD2 LEU 14 -7.282 -11.823 -9.578 89 HD23 LEU 14 2HD2 LEU 14 -5.793 -12.604 -10.114 90 H TRP 15 H TRP 15 -3.670 -11.771 -5.075 91 HA TRP 15 HA TRP 15 -0.874 -12.413 -5.441 92 HB2 TRP 15 1HB TRP 15 -2.232 -10.118 -4.012 93 HB3 TRP 15 2HB TRP 15 -0.491 -10.267 -4.234 94 HD1 TRP 15 HD TRP 15 -3.173 -10.930 -6.939 95 HE1 TRP 15 1HE TRP 15 -2.746 -9.316 -8.898 96 HE3 TRP 15 3HE TRP 15 0.633 -8.183 -4.913 97 HZ2 TRP 15 2HZ TRP 15 -1.024 -7.164 -9.504 98 HZ3 TRP 15 3HZ TRP 15 1.616 -6.365 -6.248 99 HH2 TRP 15 HH TRP 15 0.804 -5.868 -8.496 100 H GLU 16 H GLU 16 -2.806 -11.588 -2.552 101 HA GLU 16 HA GLU 16 -1.887 -13.845 -1.081 102 HB2 GLU 16 1HB GLU 16 -0.460 -11.249 -0.788 103 HB3 GLU 16 2HB GLU 16 -0.794 -12.163 0.676 104 HG2 GLU 16 1HG GLU 16 0.242 -14.141 -0.690 105 HG3 GLU 16 2HG GLU 16 0.978 -12.835 -1.617 106 HA PRO 17 HA PRO 17 -5.516 -12.847 1.188 107 HB2 PRO 17 1HB PRO 17 -5.028 -14.223 3.477 108 HB3 PRO 17 2HB PRO 17 -5.460 -15.012 1.956 109 HG2 PRO 17 1HG PRO 17 -2.762 -14.641 3.198 110 HG3 PRO 17 2HG PRO 17 -3.441 -16.074 2.405 111 HD2 PRO 17 1HD PRO 17 -1.721 -14.396 1.157 112 HD3 PRO 17 2HD PRO 17 -3.003 -15.266 0.291 113 H GLU 18 H GLU 18 -2.560 -12.735 3.191 114 HA GLU 18 HA GLU 18 -3.614 -10.861 5.040 115 HB2 GLU 18 1HB GLU 18 -1.669 -12.455 5.407 116 HB3 GLU 18 2HB GLU 18 -0.689 -11.332 4.474 117 HG2 GLU 18 1HG GLU 18 -1.603 -9.587 6.199 118 HG3 GLU 18 2HG GLU 18 -1.868 -11.022 7.187 119 H GLU 19 H GLU 19 -1.559 -10.550 2.177 120 HA GLU 19 HA GLU 19 -1.047 -7.784 2.449 121 HB2 GLU 19 1HB GLU 19 -1.124 -9.370 -0.121 122 HB3 GLU 19 2HB GLU 19 -0.258 -7.868 0.172 123 HG2 GLU 19 1HG GLU 19 0.340 -10.341 1.750 124 HG3 GLU 19 2HG GLU 19 1.065 -10.058 0.169 125 H THR 20 H THR 20 -1.992 -6.002 1.458 126 HA THR 20 HA THR 20 -4.820 -6.358 0.794 127 HB THR 20 HB THR 20 -3.215 -3.912 1.538 128 HG1 THR 20 1HG THR 20 -5.086 -5.580 2.798 129 HG21 THR 20 3HG2 THR 20 -5.614 -4.067 -0.034 130 HG22 THR 20 1HG2 THR 20 -4.696 -2.645 0.458 131 HG23 THR 20 2HG2 THR 20 -5.956 -3.289 1.511 132 H VAL 21 H VAL 21 -5.232 -6.663 -1.296 133 HA VAL 21 HA VAL 21 -3.535 -5.418 -3.320 134 HB VAL 21 HB VAL 21 -5.719 -7.490 -3.525 135 HG11 VAL 21 1HG1 VAL 21 -6.012 -6.801 -5.627 136 HG12 VAL 21 2HG1 VAL 21 -4.607 -5.735 -5.557 137 HG13 VAL 21 3HG1 VAL 21 -4.401 -7.442 -5.948 138 HG21 VAL 21 3HG2 VAL 21 -4.062 -9.059 -3.797 139 HG22 VAL 21 1HG2 VAL 21 -2.893 -7.880 -4.390 140 HG23 VAL 21 2HG2 VAL 21 -3.281 -7.950 -2.671 141 H VAL 22 H VAL 22 -4.077 -3.559 -4.233 142 HA VAL 22 HA VAL 22 -6.910 -2.744 -4.203 143 HB VAL 22 HB VAL 22 -5.923 -0.391 -4.489 144 HG11 VAL 22 1HG1 VAL 22 -5.524 -1.890 -1.901 145 HG12 VAL 22 2HG1 VAL 22 -5.616 -0.135 -2.065 146 HG13 VAL 22 3HG1 VAL 22 -7.019 -1.132 -2.451 147 HG21 VAL 22 3HG2 VAL 22 -3.477 -1.857 -3.505 148 HG22 VAL 22 1HG2 VAL 22 -3.655 -1.014 -5.044 149 HG23 VAL 22 2HG2 VAL 22 -3.662 -0.103 -3.533 150 H ILE 23 H ILE 23 -7.689 -1.529 -6.020 151 HA ILE 23 HA ILE 23 -6.170 -2.029 -8.497 152 HB ILE 23 HB ILE 23 -9.179 -2.009 -8.270 153 HG12 ILE 23 1HG1 ILE 23 -7.418 -4.433 -8.636 154 HG13 ILE 23 2HG1 ILE 23 -8.011 -3.918 -7.061 155 HG21 ILE 23 1HG2 ILE 23 -7.239 -2.274 -10.482 156 HG22 ILE 23 2HG2 ILE 23 -8.640 -3.344 -10.528 157 HG23 ILE 23 3HG2 ILE 23 -8.867 -1.596 -10.473 158 HD11 ILE 23 3HD1 ILE 23 -9.814 -5.139 -7.434 159 HD12 ILE 23 1HD1 ILE 23 -10.261 -3.999 -8.703 160 HD13 ILE 23 2HD1 ILE 23 -9.328 -5.443 -9.102 161 H ALA 24 H ALA 24 -6.186 -0.445 -10.074 162 HA ALA 24 HA ALA 24 -6.830 2.225 -9.127 163 HB1 ALA 24 3HB ALA 24 -5.600 3.003 -11.079 164 HB2 ALA 24 1HB ALA 24 -4.661 1.809 -10.182 165 HB3 ALA 24 2HB ALA 24 -5.477 1.348 -11.676 166 H LEU 25 H LEU 25 -8.185 3.684 -10.196 167 HA LEU 25 HA LEU 25 -10.321 2.411 -11.728 168 HB2 LEU 25 1HB LEU 25 -10.200 5.200 -10.594 169 HB3 LEU 25 2HB LEU 25 -11.619 4.388 -11.252 170 HG LEU 25 HG LEU 25 -10.183 3.336 -8.832 171 HD11 LEU 25 1HD1 LEU 25 -11.730 5.772 -9.056 172 HD12 LEU 25 2HD1 LEU 25 -10.798 5.145 -7.697 173 HD13 LEU 25 3HD1 LEU 25 -12.465 4.623 -7.936 174 HD21 LEU 25 3HD2 LEU 25 -12.171 2.282 -10.387 175 HD22 LEU 25 1HD2 LEU 25 -13.081 3.071 -9.098 176 HD23 LEU 25 2HD2 LEU 25 -11.861 1.861 -8.702 177 H TYR 26 H TYR 26 -7.865 4.898 -12.005 178 HA TYR 26 HA TYR 26 -8.463 5.074 -14.880 179 HB2 TYR 26 1HB TYR 26 -7.492 7.447 -13.302 180 HB3 TYR 26 2HB TYR 26 -8.197 7.418 -14.915 181 HD1 TYR 26 2HD TYR 26 -8.967 7.005 -11.316 182 HD2 TYR 26 1HD TYR 26 -10.533 7.607 -15.226 183 HE1 TYR 26 2HE TYR 26 -11.178 7.482 -10.351 184 HE2 TYR 26 1HE TYR 26 -12.749 8.087 -14.271 185 HH TYR 26 HH TYR 26 -14.013 7.910 -12.373 186 H ASP 27 H ASP 27 -6.682 5.418 -16.243 187 HA ASP 27 HA ASP 27 -4.240 4.267 -15.314 188 HB2 ASP 27 1HB ASP 27 -3.440 4.829 -17.651 189 HB3 ASP 27 2HB ASP 27 -4.865 3.797 -17.564 190 H TYR 28 H TYR 28 -3.352 5.581 -13.743 191 HA TYR 28 HA TYR 28 -2.986 8.385 -14.078 192 HB2 TYR 28 1HB TYR 28 -3.116 7.371 -11.855 193 HB3 TYR 28 2HB TYR 28 -1.648 6.453 -12.172 194 HD1 TYR 28 2HD TYR 28 -2.813 10.008 -12.216 195 HD2 TYR 28 1HD TYR 28 0.320 7.278 -11.303 196 HE1 TYR 28 2HE TYR 28 -1.467 11.861 -11.318 197 HE2 TYR 28 1HE TYR 28 1.674 9.123 -10.402 198 HH TYR 28 HH TYR 28 1.846 11.549 -10.603 199 H GLN 29 H GLN 29 -1.051 9.533 -14.426 200 HA GLN 29 HA GLN 29 1.157 7.991 -15.603 201 HB2 GLN 29 1HB GLN 29 -0.378 10.259 -16.809 202 HB3 GLN 29 2HB GLN 29 1.327 10.072 -17.196 203 HG2 GLN 29 1HG GLN 29 0.993 8.050 -18.278 204 HG3 GLN 29 2HG GLN 29 -0.554 7.768 -17.482 205 HE21 GLN 29 1HE2 GLN 29 1.084 9.307 -20.098 206 HE22 GLN 29 2HE2 GLN 29 -0.322 9.850 -20.941 207 H THR 30 H THR 30 3.217 8.945 -15.450 208 HA THR 30 HA THR 30 3.639 11.495 -14.248 209 HB THR 30 HB THR 30 2.957 10.327 -12.219 210 HG1 THR 30 1HG THR 30 5.766 10.499 -12.016 211 HG21 THR 30 3HG2 THR 30 3.356 8.060 -12.560 212 HG22 THR 30 1HG2 THR 30 4.614 8.503 -11.408 213 HG23 THR 30 2HG2 THR 30 5.006 8.332 -13.119 214 H ASN 31 H ASN 31 5.733 12.179 -14.479 215 HA ASN 31 HA ASN 31 7.585 10.251 -15.714 216 HB2 ASN 31 1HB ASN 31 7.326 13.237 -16.109 217 HB3 ASN 31 2HB ASN 31 8.646 12.273 -16.762 218 HD21 ASN 31 1HD2 ASN 31 7.938 10.371 -18.094 219 HD22 ASN 31 2HD2 ASN 31 6.613 10.624 -19.173 220 H ASP 32 H ASP 32 7.440 10.366 -12.951 221 HA ASP 32 HA ASP 32 10.074 11.497 -12.311 222 HB2 ASP 32 1HB ASP 32 7.480 12.002 -10.940 223 HB3 ASP 32 2HB ASP 32 8.910 11.815 -9.929 224 HA PRO 33 HA PRO 33 10.904 7.482 -10.717 225 HB2 PRO 33 1HB PRO 33 12.948 8.093 -9.038 226 HB3 PRO 33 2HB PRO 33 13.123 8.072 -10.797 227 HG2 PRO 33 1HG PRO 33 12.705 10.400 -8.962 228 HG3 PRO 33 2HG PRO 33 13.801 10.250 -10.348 229 HD2 PRO 33 1HD PRO 33 11.426 11.541 -10.503 230 HD3 PRO 33 2HD PRO 33 12.128 10.664 -11.878 231 H GLN 34 H GLN 34 10.013 10.132 -8.676 232 HA GLN 34 HA GLN 34 9.815 8.527 -6.278 233 HB2 GLN 34 1HB GLN 34 9.156 11.385 -6.946 234 HB3 GLN 34 2HB GLN 34 8.671 10.669 -5.415 235 HG2 GLN 34 1HG GLN 34 10.866 10.414 -4.695 236 HG3 GLN 34 2HG GLN 34 11.518 10.564 -6.326 237 HE21 GLN 34 1HE2 GLN 34 12.868 12.064 -4.857 238 HE22 GLN 34 2HE2 GLN 34 12.371 13.718 -4.839 239 H GLU 35 H GLU 35 7.873 9.200 -8.982 240 HA GLU 35 HA GLU 35 5.468 8.288 -7.544 241 HB2 GLU 35 1HB GLU 35 5.693 9.997 -10.026 242 HB3 GLU 35 2HB GLU 35 4.179 9.363 -9.396 243 HG2 GLU 35 1HG GLU 35 4.826 10.565 -7.219 244 HG3 GLU 35 2HG GLU 35 5.980 11.442 -8.222 245 H LEU 36 H LEU 36 3.950 6.987 -8.860 246 HA LEU 36 HA LEU 36 5.374 5.317 -10.826 247 HB2 LEU 36 1HB LEU 36 5.137 4.097 -8.756 248 HB3 LEU 36 2HB LEU 36 3.414 4.461 -8.703 249 HG LEU 36 HG LEU 36 3.249 3.128 -10.881 250 HD11 LEU 36 1HD1 LEU 36 5.667 3.112 -11.349 251 HD12 LEU 36 2HD1 LEU 36 4.979 1.490 -11.280 252 HD13 LEU 36 3HD1 LEU 36 5.918 2.107 -9.921 253 HD21 LEU 36 3HD2 LEU 36 3.224 0.975 -9.635 254 HD22 LEU 36 1HD2 LEU 36 2.352 2.277 -8.826 255 HD23 LEU 36 2HD2 LEU 36 3.957 1.809 -8.264 256 H ALA 37 H ALA 37 4.027 4.276 -12.424 257 HA ALA 37 HA ALA 37 1.674 5.906 -13.078 258 HB1 ALA 37 3HB ALA 37 2.932 4.030 -15.026 259 HB2 ALA 37 1HB ALA 37 2.097 5.557 -15.311 260 HB3 ALA 37 2HB ALA 37 3.732 5.556 -14.649 261 H LEU 38 H LEU 38 -0.082 4.978 -12.183 262 HA LEU 38 HA LEU 38 -0.418 2.175 -11.872 263 HB2 LEU 38 1HB LEU 38 -2.246 4.537 -11.621 264 HB3 LEU 38 2HB LEU 38 -2.858 2.892 -11.468 265 HG LEU 38 HG LEU 38 -0.724 4.113 -9.719 266 HD11 LEU 38 1HD1 LEU 38 -3.683 3.765 -9.342 267 HD12 LEU 38 2HD1 LEU 38 -2.721 5.234 -9.185 268 HD13 LEU 38 3HD1 LEU 38 -2.569 3.948 -7.988 269 HD21 LEU 38 3HD2 LEU 38 -1.878 1.932 -8.458 270 HD22 LEU 38 1HD2 LEU 38 -0.283 1.993 -9.207 271 HD23 LEU 38 2HD2 LEU 38 -1.667 1.406 -10.128 272 H ARG 39 H ARG 39 -1.988 0.820 -12.895 273 HA ARG 39 HA ARG 39 -2.507 1.598 -15.687 274 HB2 ARG 39 1HB ARG 39 -0.985 -0.314 -15.438 275 HB3 ARG 39 2HB ARG 39 -2.204 -1.165 -14.498 276 HG2 ARG 39 1HG ARG 39 -2.253 -2.047 -16.698 277 HG3 ARG 39 2HG ARG 39 -3.700 -1.057 -16.499 278 HD2 ARG 39 1HD ARG 39 -2.423 0.822 -17.587 279 HD3 ARG 39 2HD ARG 39 -1.170 -0.356 -17.972 280 HE ARG 39 HE ARG 39 -3.756 -0.089 -19.227 281 HH11 ARG 39 1HH1 ARG 39 -1.016 -2.157 -18.645 282 HH12 ARG 39 2HH1 ARG 39 -1.310 -3.155 -20.031 283 HH21 ARG 39 1HH2 ARG 39 -4.154 -1.395 -21.054 284 HH22 ARG 39 2HH2 ARG 39 -3.095 -2.720 -21.400 285 H ARG 40 H ARG 40 -4.531 1.398 -16.540 286 HA ARG 40 HA ARG 40 -6.740 1.514 -14.805 287 HB2 ARG 40 1HB ARG 40 -6.754 2.558 -17.014 288 HB3 ARG 40 2HB ARG 40 -6.656 0.978 -17.779 289 HG2 ARG 40 1HG ARG 40 -8.845 0.479 -17.353 290 HG3 ARG 40 2HG ARG 40 -8.917 1.516 -15.927 291 HD2 ARG 40 1HD ARG 40 -10.151 2.761 -17.399 292 HD3 ARG 40 2HD ARG 40 -8.544 3.421 -17.699 293 HE ARG 40 HE ARG 40 -9.004 1.258 -19.436 294 HH11 ARG 40 1HH1 ARG 40 -10.035 4.536 -18.880 295 HH12 ARG 40 2HH1 ARG 40 -10.418 4.836 -20.543 296 HH21 ARG 40 1HH2 ARG 40 -9.505 1.639 -21.628 297 HH22 ARG 40 2HH2 ARG 40 -10.118 3.187 -22.105 298 H ASN 41 H ASN 41 -7.944 -0.020 -13.894 299 HA ASN 41 HA ASN 41 -8.767 -2.059 -13.316 300 HB2 ASN 41 1HB ASN 41 -8.546 -2.225 -16.284 301 HB3 ASN 41 2HB ASN 41 -8.861 -3.715 -15.400 302 HD21 ASN 41 1HD2 ASN 41 -10.493 -1.990 -17.240 303 HD22 ASN 41 2HD2 ASN 41 -11.967 -1.720 -16.380 304 H GLU 42 H GLU 42 -6.256 -1.788 -12.511 305 HA GLU 42 HA GLU 42 -5.123 -4.461 -12.938 306 HB2 GLU 42 1HB GLU 42 -3.732 -1.826 -13.234 307 HB3 GLU 42 2HB GLU 42 -2.830 -3.219 -12.656 308 HG2 GLU 42 1HG GLU 42 -4.186 -2.849 -15.304 309 HG3 GLU 42 2HG GLU 42 -2.478 -3.134 -14.975 310 H GLU 43 H GLU 43 -4.381 -5.449 -11.129 311 HA GLU 43 HA GLU 43 -5.031 -4.238 -8.599 312 HB2 GLU 43 1HB GLU 43 -4.078 -6.937 -9.480 313 HB3 GLU 43 2HB GLU 43 -3.973 -6.493 -7.782 314 HG2 GLU 43 1HG GLU 43 -6.326 -6.206 -7.627 315 HG3 GLU 43 2HG GLU 43 -6.518 -6.346 -9.373 316 H TYR 44 H TYR 44 -3.534 -4.113 -6.800 317 HA TYR 44 HA TYR 44 -0.698 -4.065 -7.427 318 HB2 TYR 44 1HB TYR 44 -2.261 -1.598 -6.670 319 HB3 TYR 44 2HB TYR 44 -0.519 -1.719 -6.449 320 HD1 TYR 44 1HD TYR 44 -3.151 -2.047 -9.069 321 HD2 TYR 44 2HD TYR 44 0.905 -1.117 -8.185 322 HE1 TYR 44 1HE TYR 44 -2.812 -1.337 -11.400 323 HE2 TYR 44 2HE TYR 44 1.255 -0.403 -10.512 324 HH TYR 44 HH TYR 44 0.307 -0.035 -12.488 325 H CYS 45 H CYS 45 0.646 -4.054 -5.583 326 HA CYS 45 HA CYS 45 -0.712 -4.992 -3.173 327 HB2 CYS 45 1HB CYS 45 1.079 -6.397 -4.065 328 HB3 CYS 45 2HB CYS 45 2.211 -5.055 -3.949 329 HG CYS 45 HG CYS 45 1.604 -4.985 -1.025 330 H LEU 46 H LEU 46 -1.049 -3.671 -1.524 331 HA LEU 46 HA LEU 46 0.116 -1.051 -1.447 332 HB2 LEU 46 1HB LEU 46 -2.186 -1.433 -0.751 333 HB3 LEU 46 2HB LEU 46 -1.631 -2.497 0.540 334 HG LEU 46 HG LEU 46 -0.659 -0.650 1.725 335 HD11 LEU 46 1HD1 LEU 46 -0.907 0.672 -0.868 336 HD12 LEU 46 2HD1 LEU 46 0.214 0.972 0.460 337 HD13 LEU 46 3HD1 LEU 46 -1.404 1.672 0.497 338 HD21 LEU 46 3HD2 LEU 46 -2.633 0.607 2.274 339 HD22 LEU 46 1HD2 LEU 46 -3.094 -1.067 1.960 340 HD23 LEU 46 2HD2 LEU 46 -3.388 0.173 0.739 341 H LEU 47 H LEU 47 2.269 -1.074 -1.029 342 HA LEU 47 HA LEU 47 3.525 -2.797 0.835 343 HB2 LEU 47 1HB LEU 47 4.402 -0.223 -0.453 344 HB3 LEU 47 2HB LEU 47 5.439 -1.169 0.613 345 HG LEU 47 HG LEU 47 4.244 -2.501 -1.771 346 HD11 LEU 47 1HD1 LEU 47 5.100 -0.932 -3.121 347 HD12 LEU 47 2HD1 LEU 47 6.652 -1.666 -2.718 348 HD13 LEU 47 3HD1 LEU 47 6.100 -0.236 -1.847 349 HD21 LEU 47 3HD2 LEU 47 6.819 -2.738 -0.225 350 HD22 LEU 47 1HD2 LEU 47 6.471 -3.635 -1.703 351 HD23 LEU 47 2HD2 LEU 47 5.477 -3.883 -0.267 352 H ASP 48 H ASP 48 3.118 0.745 1.008 353 HA ASP 48 HA ASP 48 2.654 0.477 3.896 354 HB2 ASP 48 1HB ASP 48 4.579 2.387 2.560 355 HB3 ASP 48 2HB ASP 48 4.050 2.542 4.233 356 H SER 49 H SER 49 1.354 2.079 4.827 357 HA SER 49 HA SER 49 -0.019 3.844 2.908 358 HB2 SER 49 1HB SER 49 -2.110 3.464 4.093 359 HB3 SER 49 2HB SER 49 -1.435 1.916 3.584 360 HG SER 49 HG SER 49 -1.284 1.355 5.599 361 H SER 50 H SER 50 2.218 4.603 4.442 362 HA SER 50 HA SER 50 1.821 5.763 6.888 363 HB2 SER 50 1HB SER 50 3.921 5.724 5.325 364 HB3 SER 50 2HB SER 50 3.324 7.295 4.790 365 HG SER 50 HG SER 50 3.895 8.140 6.637 366 H GLU 51 H GLU 51 1.241 7.320 3.735 367 HA GLU 51 HA GLU 51 -0.210 9.471 5.074 368 HB2 GLU 51 1HB GLU 51 0.797 9.089 2.262 369 HB3 GLU 51 2HB GLU 51 -0.319 10.382 2.677 370 HG2 GLU 51 1HG GLU 51 1.267 11.327 4.217 371 HG3 GLU 51 2HG GLU 51 2.367 9.972 3.968 372 H ILE 52 H ILE 52 -2.128 10.258 3.481 373 HA ILE 52 HA ILE 52 -3.895 7.916 3.208 374 HB ILE 52 HB ILE 52 -4.628 10.782 3.817 375 HG12 ILE 52 1HG1 ILE 52 -4.739 8.265 5.492 376 HG13 ILE 52 2HG1 ILE 52 -3.663 9.636 5.737 377 HG21 ILE 52 1HG2 ILE 52 -6.907 10.078 3.924 378 HG22 ILE 52 2HG2 ILE 52 -6.257 9.565 2.368 379 HG23 ILE 52 3HG2 ILE 52 -6.455 8.393 3.671 380 HD11 ILE 52 3HD1 ILE 52 -5.176 10.386 7.172 381 HD12 ILE 52 1HD1 ILE 52 -6.173 10.771 5.769 382 HD13 ILE 52 2HD1 ILE 52 -6.390 9.236 6.612 383 H HIS 53 H HIS 53 -3.167 11.109 1.829 384 HA HIS 53 HA HIS 53 -4.770 10.687 -0.501 385 HB2 HIS 53 1HB HIS 53 -2.535 12.689 -0.334 386 HB3 HIS 53 2HB HIS 53 -4.061 12.810 -1.204 387 HD1 HIS 53 1HD HIS 53 -6.198 13.336 0.250 388 HD2 HIS 53 2HD HIS 53 -2.575 13.612 2.264 389 HE1 HIS 53 1HE HIS 53 -6.702 14.590 2.371 390 HE2 HIS 53 2HE HIS 53 -4.479 14.819 3.532 391 H TRP 54 H TRP 54 -1.427 10.147 0.357 392 HA TRP 54 HA TRP 54 -0.957 9.075 -2.348 393 HB2 TRP 54 1HB TRP 54 1.068 10.306 -0.465 394 HB3 TRP 54 2HB TRP 54 1.426 9.615 -2.046 395 HD1 TRP 54 HD TRP 54 0.529 12.820 -0.417 396 HE1 TRP 54 1HE TRP 54 0.025 14.617 -2.189 397 HE3 TRP 54 3HE TRP 54 0.209 9.821 -4.545 398 HZ2 TRP 54 2HZ TRP 54 -0.447 14.746 -4.969 399 HZ3 TRP 54 3HZ TRP 54 -0.273 10.861 -6.723 400 HH2 TRP 54 HH TRP 54 -0.594 13.272 -6.928 401 H TRP 55 H TRP 55 -0.841 6.938 -2.359 402 HA TRP 55 HA TRP 55 0.127 5.564 0.059 403 HB2 TRP 55 1HB TRP 55 -1.970 4.906 -1.952 404 HB3 TRP 55 2HB TRP 55 -1.066 3.568 -1.247 405 HD1 TRP 55 HD TRP 55 -1.302 6.126 1.345 406 HE1 TRP 55 1HE TRP 55 -3.223 5.620 2.983 407 HE3 TRP 55 3HE TRP 55 -3.773 2.571 -1.375 408 HZ2 TRP 55 2HZ TRP 55 -5.485 3.936 3.105 409 HZ3 TRP 55 3HZ TRP 55 -5.806 1.562 -0.426 410 HH2 TRP 55 HH TRP 55 -6.643 2.231 1.768 411 H ARG 56 H ARG 56 1.618 3.885 -0.127 412 HA ARG 56 HA ARG 56 3.180 3.941 -2.610 413 HB2 ARG 56 1HB ARG 56 4.141 4.403 -0.223 414 HB3 ARG 56 2HB ARG 56 4.119 2.651 -0.073 415 HG2 ARG 56 1HG ARG 56 5.506 2.511 -2.125 416 HG3 ARG 56 2HG ARG 56 5.611 4.272 -2.123 417 HD2 ARG 56 1HD ARG 56 6.603 4.154 0.150 418 HD3 ARG 56 2HD ARG 56 6.600 2.396 0.020 419 HE ARG 56 HE ARG 56 8.458 2.534 -1.302 420 HH11 ARG 56 1HH1 ARG 56 6.925 5.657 -1.181 421 HH12 ARG 56 2HH1 ARG 56 8.203 6.462 -2.030 422 HH21 ARG 56 1HH2 ARG 56 10.147 3.582 -2.420 423 HH22 ARG 56 2HH2 ARG 56 10.035 5.281 -2.735 424 H VAL 57 H VAL 57 2.750 2.361 -3.995 425 HA VAL 57 HA VAL 57 2.255 -0.342 -2.929 426 HB VAL 57 HB VAL 57 0.691 -0.802 -4.683 427 HG11 VAL 57 1HG1 VAL 57 0.129 0.774 -2.605 428 HG12 VAL 57 2HG1 VAL 57 -0.297 1.880 -3.912 429 HG13 VAL 57 3HG1 VAL 57 -1.081 0.304 -3.798 430 HG21 VAL 57 3HG2 VAL 57 1.944 1.469 -5.939 431 HG22 VAL 57 1HG2 VAL 57 0.938 0.206 -6.650 432 HG23 VAL 57 2HG2 VAL 57 0.189 1.639 -5.946 433 H GLN 58 H GLN 58 2.594 -2.039 -4.708 434 HA GLN 58 HA GLN 58 4.948 -1.311 -6.322 435 HB2 GLN 58 1HB GLN 58 5.746 -2.630 -4.493 436 HB3 GLN 58 2HB GLN 58 4.457 -3.808 -4.701 437 HG2 GLN 58 1HG GLN 58 5.406 -4.541 -6.792 438 HG3 GLN 58 2HG GLN 58 6.647 -3.292 -6.698 439 HE21 GLN 58 1HE2 GLN 58 8.089 -3.398 -4.801 440 HE22 GLN 58 2HE2 GLN 58 8.554 -4.956 -4.219 441 H ASP 59 H ASP 59 4.497 -1.452 -8.409 442 HA ASP 59 HA ASP 59 2.219 -2.643 -9.498 443 HB2 ASP 59 1HB ASP 59 3.775 -2.575 -11.659 444 HB3 ASP 59 2HB ASP 59 3.094 -1.111 -10.956 445 H ARG 60 H ARG 60 2.309 -4.376 -11.245 446 HA ARG 60 HA ARG 60 3.080 -6.816 -10.064 447 HB2 ARG 60 1HB ARG 60 2.461 -7.811 -12.266 448 HB3 ARG 60 2HB ARG 60 1.222 -6.764 -11.587 449 HG2 ARG 60 1HG ARG 60 1.871 -4.974 -13.083 450 HG3 ARG 60 2HG ARG 60 3.186 -5.962 -13.725 451 HD2 ARG 60 1HD ARG 60 1.495 -7.621 -14.473 452 HD3 ARG 60 2HD ARG 60 0.230 -6.514 -13.943 453 HE ARG 60 HE ARG 60 0.582 -5.265 -15.828 454 HH11 ARG 60 1HH1 ARG 60 3.280 -7.416 -15.363 455 HH12 ARG 60 2HH1 ARG 60 4.006 -7.047 -16.892 456 HH21 ARG 60 1HH2 ARG 60 1.528 -4.770 -17.844 457 HH22 ARG 60 2HH2 ARG 60 3.009 -5.541 -18.302 458 H ASN 61 H ASN 61 4.809 -4.560 -11.958 459 HA ASN 61 HA ASN 61 6.716 -6.405 -13.054 460 HB2 ASN 61 1HB ASN 61 6.853 -3.394 -12.768 461 HB3 ASN 61 2HB ASN 61 7.949 -4.381 -13.731 462 HD21 ASN 61 1HD2 ASN 61 7.201 -5.333 -15.633 463 HD22 ASN 61 2HD2 ASN 61 5.762 -4.787 -16.419 464 H GLY 62 H GLY 62 6.595 -4.220 -10.277 465 HA2 GLY 62 1HA GLY 62 7.793 -5.271 -8.299 466 HA3 GLY 62 2HA GLY 62 9.179 -5.325 -9.378 467 H HIS 63 H HIS 63 7.668 -2.599 -10.256 468 HA HIS 63 HA HIS 63 9.507 -0.949 -8.745 469 HB2 HIS 63 1HB HIS 63 7.480 0.139 -10.669 470 HB3 HIS 63 2HB HIS 63 9.101 0.728 -10.313 471 HD1 HIS 63 1HD HIS 63 7.862 -0.026 -13.187 472 HD2 HIS 63 2HD HIS 63 10.558 -2.260 -10.951 473 HE1 HIS 63 1HE HIS 63 9.057 -1.491 -14.844 474 HE2 HIS 63 2HE HIS 63 10.624 -2.894 -13.457 475 H GLU 64 H GLU 64 8.706 1.156 -7.840 476 HA GLU 64 HA GLU 64 5.992 0.993 -6.752 477 HB2 GLU 64 1HB GLU 64 8.357 1.617 -4.988 478 HB3 GLU 64 2HB GLU 64 6.689 1.346 -4.500 479 HG2 GLU 64 1HG GLU 64 6.845 -0.930 -4.722 480 HG3 GLU 64 2HG GLU 64 8.158 -0.835 -5.894 481 H GLY 65 H GLY 65 5.606 3.099 -5.373 482 HA2 GLY 65 1HA GLY 65 6.940 5.465 -5.729 483 HA3 GLY 65 2HA GLY 65 5.983 5.285 -7.192 484 H TYR 66 H TYR 66 5.496 7.445 -5.680 485 HA TYR 66 HA TYR 66 3.343 6.910 -3.820 486 HB2 TYR 66 1HB TYR 66 4.660 9.439 -4.799 487 HB3 TYR 66 2HB TYR 66 3.241 9.462 -3.757 488 HD1 TYR 66 1HD TYR 66 3.597 7.609 -1.710 489 HD2 TYR 66 2HD TYR 66 6.613 9.880 -3.672 490 HE1 TYR 66 1HE TYR 66 5.041 7.389 0.268 491 HE2 TYR 66 2HE TYR 66 8.066 9.664 -1.699 492 HH TYR 66 HH TYR 66 7.696 7.471 0.628 493 H VAL 67 H VAL 67 1.459 6.308 -4.683 494 HA VAL 67 HA VAL 67 0.476 7.760 -7.051 495 HB VAL 67 HB VAL 67 -1.103 5.793 -7.292 496 HG11 VAL 67 1HG1 VAL 67 0.938 4.261 -8.019 497 HG12 VAL 67 2HG1 VAL 67 0.509 5.728 -8.902 498 HG13 VAL 67 3HG1 VAL 67 1.832 5.754 -7.735 499 HG21 VAL 67 3HG2 VAL 67 0.846 4.422 -5.448 500 HG22 VAL 67 1HG2 VAL 67 -0.746 4.991 -4.944 501 HG23 VAL 67 2HG2 VAL 67 -0.607 3.742 -6.181 502 HA PRO 68 HA PRO 68 -2.832 9.482 -4.731 503 HB2 PRO 68 1HB PRO 68 -4.781 9.590 -6.618 504 HB3 PRO 68 2HB PRO 68 -3.378 10.665 -6.624 505 HG2 PRO 68 1HG PRO 68 -3.858 8.168 -8.204 506 HG3 PRO 68 2HG PRO 68 -3.169 9.713 -8.735 507 HD2 PRO 68 1HD PRO 68 -1.637 7.560 -8.148 508 HD3 PRO 68 2HD PRO 68 -1.088 9.225 -7.872 509 H SER 69 H SER 69 -3.792 8.331 -3.174 510 HA SER 69 HA SER 69 -4.713 5.736 -3.300 511 HB2 SER 69 1HB SER 69 -5.844 6.148 -1.218 512 HB3 SER 69 2HB SER 69 -4.362 7.103 -1.216 513 HG SER 69 HG SER 69 -6.986 8.028 -1.779 514 H SER 70 H SER 70 -6.374 8.708 -4.140 515 HA SER 70 HA SER 70 -9.000 7.909 -4.239 516 HB2 SER 70 1HB SER 70 -9.030 9.487 -6.364 517 HB3 SER 70 2HB SER 70 -8.746 10.146 -4.753 518 HG SER 70 HG SER 70 -7.122 10.152 -6.897 519 H TYR 71 H TYR 71 -6.471 7.359 -6.650 520 HA TYR 71 HA TYR 71 -8.179 6.115 -8.553 521 HB2 TYR 71 1HB TYR 71 -5.195 6.225 -8.186 522 HB3 TYR 71 2HB TYR 71 -5.921 5.230 -9.444 523 HD1 TYR 71 1HD TYR 71 -6.899 8.616 -8.229 524 HD2 TYR 71 2HD TYR 71 -5.382 6.283 -11.448 525 HE1 TYR 71 1HE TYR 71 -7.023 10.581 -9.704 526 HE2 TYR 71 2HE TYR 71 -5.501 8.241 -12.931 527 HH TYR 71 HH TYR 71 -5.449 10.929 -12.438 528 H LEU 72 H LEU 72 -5.963 4.867 -6.080 529 HA LEU 72 HA LEU 72 -6.425 2.128 -6.674 530 HB2 LEU 72 1HB LEU 72 -5.363 3.483 -4.202 531 HB3 LEU 72 2HB LEU 72 -5.391 1.736 -4.437 532 HG LEU 72 HG LEU 72 -3.859 3.688 -6.155 533 HD11 LEU 72 1HD1 LEU 72 -1.954 2.275 -4.969 534 HD12 LEU 72 2HD1 LEU 72 -3.167 2.189 -3.692 535 HD13 LEU 72 3HD1 LEU 72 -2.600 3.757 -4.264 536 HD21 LEU 72 3HD2 LEU 72 -4.328 0.757 -6.241 537 HD22 LEU 72 1HD2 LEU 72 -2.717 1.349 -6.648 538 HD23 LEU 72 2HD2 LEU 72 -4.120 1.912 -7.558 539 H VAL 73 H VAL 73 -7.854 0.684 -5.842 540 HA VAL 73 HA VAL 73 -9.766 1.654 -3.826 541 HB VAL 73 HB VAL 73 -11.637 0.889 -4.985 542 HG11 VAL 73 1HG1 VAL 73 -10.132 2.811 -6.097 543 HG12 VAL 73 2HG1 VAL 73 -10.217 1.682 -7.451 544 HG13 VAL 73 3HG1 VAL 73 -11.700 2.318 -6.737 545 HG21 VAL 73 3HG2 VAL 73 -9.696 -0.737 -6.592 546 HG22 VAL 73 1HG2 VAL 73 -11.086 -1.277 -5.650 547 HG23 VAL 73 2HG2 VAL 73 -11.331 -0.428 -7.176 548 H GLU 74 H GLU 74 -10.553 0.124 -2.394 549 HA GLU 74 HA GLU 74 -8.876 -2.131 -1.929 550 HB2 GLU 74 1HB GLU 74 -10.208 -0.677 -0.234 551 HB3 GLU 74 2HB GLU 74 -11.547 -1.750 -0.615 552 HG2 GLU 74 1HG GLU 74 -9.739 -3.605 -0.097 553 HG3 GLU 74 2HG GLU 74 -9.030 -2.300 0.851 554 H LYS 75 H LYS 75 -8.962 -3.900 -3.141 555 HA LYS 75 HA LYS 75 -10.915 -4.706 -4.879 556 HB2 LYS 75 1HB LYS 75 -8.774 -5.776 -4.913 557 HB3 LYS 75 2HB LYS 75 -8.980 -6.373 -3.271 558 HG2 LYS 75 1HG LYS 75 -9.437 -8.266 -4.451 559 HG3 LYS 75 2HG LYS 75 -11.061 -7.586 -4.323 560 HD2 LYS 75 1HD LYS 75 -11.021 -6.800 -6.539 561 HD3 LYS 75 2HD LYS 75 -9.271 -6.993 -6.663 562 HE2 LYS 75 1HE LYS 75 -9.574 -9.444 -6.483 563 HE3 LYS 75 2HE LYS 75 -11.320 -9.200 -6.475 564 HZ1 LYS 75 3HZ LYS 75 -10.023 -7.894 -8.673 565 HZ2 LYS 75 1HZ LYS 75 -11.350 -8.944 -8.672 566 HZ3 LYS 75 2HZ LYS 75 -9.779 -9.568 -8.681 567 H SER 76 H SER 76 -13.019 -4.843 -4.400 568 HA SER 76 HA SER 76 -14.161 -5.422 -1.944 569 HB2 SER 76 1HB SER 76 -15.195 -5.701 -4.759 570 HB3 SER 76 2HB SER 76 -16.198 -6.111 -3.368 571 HG SER 76 HG SER 76 -14.890 -3.649 -3.335 572 HA PRO 77 HA PRO 77 -13.613 -9.745 -1.344 573 HB2 PRO 77 1HB PRO 77 -15.721 -10.236 0.295 574 HB3 PRO 77 2HB PRO 77 -14.270 -9.377 0.826 575 HG2 PRO 77 1HG PRO 77 -16.920 -8.274 -0.025 576 HG3 PRO 77 2HG PRO 77 -15.891 -7.789 1.336 577 HD2 PRO 77 1HD PRO 77 -15.971 -6.411 -0.994 578 HD3 PRO 77 2HD PRO 77 -14.503 -6.524 -0.001 579 H ASN 78 H ASN 78 -15.277 -11.753 -1.107 580 HA ASN 78 HA ASN 78 -16.918 -11.685 -3.553 581 HB2 ASN 78 1HB ASN 78 -15.491 -14.029 -2.274 582 HB3 ASN 78 2HB ASN 78 -16.507 -14.122 -3.709 583 HD21 ASN 78 1HD2 ASN 78 -13.405 -13.674 -2.545 584 HD22 ASN 78 2HD2 ASN 78 -12.657 -13.123 -4.001 585 H ASN 79 H ASN 79 -19.035 -11.896 -3.296 586 HA ASN 79 HA ASN 79 -20.090 -13.547 -1.137 587 HB2 ASN 79 1HB ASN 79 -21.734 -11.730 -0.535 588 HB3 ASN 79 2HB ASN 79 -20.068 -11.410 -0.061 589 HD21 ASN 79 1HD2 ASN 79 -21.581 -9.291 -0.095 590 HD22 ASN 79 2HD2 ASN 79 -21.306 -8.303 -1.485 591 H LEU 80 H LEU 80 -22.144 -14.373 -1.531 592 HA LEU 80 HA LEU 80 -23.734 -15.293 -2.885 593 HB2 LEU 80 1HB LEU 80 -24.545 -12.935 -2.393 594 HB3 LEU 80 2HB LEU 80 -23.995 -12.519 -4.015 595 HG LEU 80 HG LEU 80 -25.559 -14.372 -4.829 596 HD11 LEU 80 1HD1 LEU 80 -27.483 -14.786 -3.312 597 HD12 LEU 80 2HD1 LEU 80 -26.567 -14.026 -2.011 598 HD13 LEU 80 3HD1 LEU 80 -25.971 -15.507 -2.760 599 HD21 LEU 80 3HD2 LEU 80 -26.481 -12.431 -5.462 600 HD22 LEU 80 1HD2 LEU 80 -26.150 -11.656 -3.912 601 HD23 LEU 80 2HD2 LEU 80 -27.573 -12.682 -4.099 602 H GLU 81 H GLU 81 -21.263 -15.774 -3.916 603 HA GLU 81 HA GLU 81 -21.336 -15.091 -6.753 604 HB2 GLU 81 1HB GLU 81 -19.119 -16.188 -6.839 605 HB3 GLU 81 2HB GLU 81 -19.186 -14.885 -5.660 606 HG2 GLU 81 1HG GLU 81 -19.185 -16.361 -3.851 607 HG3 GLU 81 2HG GLU 81 -19.626 -17.737 -4.860 608 H THR 82 H THR 82 -23.428 -16.736 -5.881 609 HA THR 82 HA THR 82 -22.756 -19.466 -6.613 610 HB THR 82 HB THR 82 -25.574 -18.551 -6.191 611 HG1 THR 82 1HG THR 82 -23.861 -19.183 -4.019 612 HG21 THR 82 3HG2 THR 82 -24.470 -20.968 -4.909 613 HG22 THR 82 1HG2 THR 82 -24.501 -20.983 -6.671 614 HG23 THR 82 2HG2 THR 82 -25.993 -20.734 -5.765 615 H TYR 83 H TYR 83 -22.828 -17.019 -8.494 616 HA TYR 83 HA TYR 83 -24.520 -18.273 -10.556 617 HB2 TYR 83 1HB TYR 83 -24.098 -15.398 -9.850 618 HB3 TYR 83 2HB TYR 83 -24.421 -15.823 -11.527 619 HD1 TYR 83 1HD TYR 83 -26.539 -17.177 -12.018 620 HD2 TYR 83 2HD TYR 83 -25.854 -15.189 -8.319 621 HE1 TYR 83 1HE TYR 83 -28.950 -17.251 -11.539 622 HE2 TYR 83 2HE TYR 83 -28.263 -15.259 -7.829 623 HH TYR 83 HH TYR 83 -30.579 -16.554 -10.176 624 H GLU 84 H GLU 84 -23.599 -18.749 -12.473 625 HA GLU 84 HA GLU 84 -20.859 -17.786 -12.959 626 HB2 GLU 84 1HB GLU 84 -21.945 -20.583 -13.271 627 HB3 GLU 84 2HB GLU 84 -20.457 -20.051 -14.041 628 HG2 GLU 84 1HG GLU 84 -19.815 -19.331 -11.609 629 HG3 GLU 84 2HG GLU 84 -21.041 -20.515 -11.162 630 H TRP 85 H TRP 85 -21.101 -16.395 -14.596 631 HA TRP 85 HA TRP 85 -23.089 -16.302 -16.496 632 HB2 TRP 85 1HB TRP 85 -21.648 -14.858 -17.784 633 HB3 TRP 85 2HB TRP 85 -21.387 -14.526 -16.074 634 HD1 TRP 85 HD TRP 85 -19.108 -15.801 -15.007 635 HE1 TRP 85 1HE TRP 85 -16.801 -16.086 -16.112 636 HE3 TRP 85 3HE TRP 85 -20.453 -15.101 -19.889 637 HZ2 TRP 85 2HZ TRP 85 -15.697 -16.023 -18.709 638 HZ3 TRP 85 3HZ TRP 85 -18.711 -15.229 -21.623 639 HH2 TRP 85 HH TRP 85 -16.383 -15.680 -21.042 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -24.206 -28.723 -33.061 2 HA2 GLY 1 1HA GLY 1 -26.701 -27.753 -31.967 3 HA3 GLY 1 2HA GLY 1 -25.995 -29.087 -31.067 4 H SER 2 H SER 2 -26.193 -25.806 -31.239 5 HA SER 2 HA SER 2 -23.556 -24.989 -30.638 6 HB2 SER 2 1HB SER 2 -25.592 -23.562 -31.365 7 HB3 SER 2 2HB SER 2 -25.998 -23.535 -29.649 8 HG SER 2 HG SER 2 -23.400 -22.867 -30.487 9 H SER 3 H SER 3 -22.423 -25.602 -28.927 10 HA SER 3 HA SER 3 -23.755 -25.667 -26.307 11 HB2 SER 3 1HB SER 3 -21.862 -27.741 -27.428 12 HB3 SER 3 2HB SER 3 -22.304 -27.641 -25.724 13 HG SER 3 HG SER 3 -23.652 -28.772 -27.739 14 H GLY 4 H GLY 4 -22.896 -23.777 -25.559 15 HA2 GLY 4 1HA GLY 4 -20.920 -23.263 -24.083 16 HA3 GLY 4 2HA GLY 4 -19.947 -23.597 -25.508 17 H SER 5 H SER 5 -22.804 -21.615 -24.702 18 HA SER 5 HA SER 5 -21.874 -19.542 -26.513 19 HB2 SER 5 1HB SER 5 -24.344 -20.368 -26.102 20 HB3 SER 5 2HB SER 5 -24.285 -19.214 -24.770 21 HG SER 5 HG SER 5 -23.400 -17.768 -26.571 22 H SER 6 H SER 6 -22.944 -19.627 -23.109 23 HA SER 6 HA SER 6 -21.798 -17.087 -22.513 24 HB2 SER 6 1HB SER 6 -22.581 -17.412 -20.311 25 HB3 SER 6 2HB SER 6 -23.753 -18.260 -21.320 26 HG SER 6 HG SER 6 -23.124 -19.551 -19.566 27 H GLY 7 H GLY 7 -20.052 -16.653 -21.053 28 HA2 GLY 7 1HA GLY 7 -17.924 -18.674 -21.274 29 HA3 GLY 7 2HA GLY 7 -17.672 -16.948 -21.059 30 H GLU 8 H GLU 8 -18.716 -19.907 -19.455 31 HA GLU 8 HA GLU 8 -18.501 -18.607 -16.846 32 HB2 GLU 8 1HB GLU 8 -19.365 -21.420 -17.541 33 HB3 GLU 8 2HB GLU 8 -19.453 -20.677 -15.950 34 HG2 GLU 8 1HG GLU 8 -20.990 -19.865 -18.405 35 HG3 GLU 8 2HG GLU 8 -21.627 -20.670 -16.973 36 H ASP 9 H ASP 9 -16.531 -18.511 -16.001 37 HA ASP 9 HA ASP 9 -14.997 -20.907 -15.609 38 HB2 ASP 9 1HB ASP 9 -14.025 -18.765 -17.494 39 HB3 ASP 9 2HB ASP 9 -12.914 -19.848 -16.661 40 H ASN 10 H ASN 10 -13.228 -20.609 -14.140 41 HA ASN 10 HA ASN 10 -12.934 -17.996 -12.898 42 HB2 ASN 10 1HB ASN 10 -14.771 -18.840 -11.612 43 HB3 ASN 10 2HB ASN 10 -13.999 -20.413 -11.431 44 HD21 ASN 10 1HD2 ASN 10 -14.926 -18.176 -9.566 45 HD22 ASN 10 2HD2 ASN 10 -13.591 -17.972 -8.489 46 H ARG 11 H ARG 11 -10.814 -17.705 -12.808 47 HA ARG 11 HA ARG 11 -9.047 -20.017 -12.517 48 HB2 ARG 11 1HB ARG 11 -7.252 -18.465 -13.173 49 HB3 ARG 11 2HB ARG 11 -8.553 -18.502 -14.355 50 HG2 ARG 11 1HG ARG 11 -9.221 -16.366 -13.898 51 HG3 ARG 11 2HG ARG 11 -8.628 -16.420 -12.237 52 HD2 ARG 11 1HD ARG 11 -7.039 -15.067 -13.150 53 HD3 ARG 11 2HD ARG 11 -6.294 -16.634 -13.466 54 HE ARG 11 HE ARG 11 -7.849 -16.084 -15.670 55 HH11 ARG 11 1HH1 ARG 11 -5.169 -14.587 -14.028 56 HH12 ARG 11 2HH1 ARG 11 -4.527 -13.859 -15.463 57 HH21 ARG 11 1HH2 ARG 11 -7.014 -15.131 -17.567 58 HH22 ARG 11 2HH2 ARG 11 -5.578 -14.169 -17.476 59 H ARG 12 H ARG 12 -7.057 -19.670 -11.152 60 HA ARG 12 HA ARG 12 -7.907 -18.759 -8.526 61 HB2 ARG 12 1HB ARG 12 -6.590 -20.961 -9.193 62 HB3 ARG 12 2HB ARG 12 -5.197 -19.903 -9.019 63 HG2 ARG 12 1HG ARG 12 -5.577 -19.569 -6.749 64 HG3 ARG 12 2HG ARG 12 -7.255 -20.103 -6.857 65 HD2 ARG 12 1HD ARG 12 -4.956 -21.950 -7.425 66 HD3 ARG 12 2HD ARG 12 -5.570 -21.702 -5.791 67 HE ARG 12 HE ARG 12 -7.724 -22.331 -7.465 68 HH11 ARG 12 1HH1 ARG 12 -4.868 -23.813 -6.136 69 HH12 ARG 12 2HH1 ARG 12 -5.538 -25.411 -6.139 70 HH21 ARG 12 1HH2 ARG 12 -8.616 -24.429 -7.474 71 HH22 ARG 12 2HH2 ARG 12 -7.670 -25.761 -6.901 72 HA PRO 13 HA PRO 13 -5.770 -14.910 -8.726 73 HB2 PRO 13 1HB PRO 13 -5.541 -14.433 -6.063 74 HB3 PRO 13 2HB PRO 13 -7.068 -14.275 -6.939 75 HG2 PRO 13 1HG PRO 13 -6.079 -16.540 -5.249 76 HG3 PRO 13 2HG PRO 13 -7.694 -15.808 -5.307 77 HD2 PRO 13 1HD PRO 13 -7.100 -18.130 -6.567 78 HD3 PRO 13 2HD PRO 13 -8.293 -16.978 -7.200 79 H LEU 14 H LEU 14 -3.751 -13.898 -8.118 80 HA LEU 14 HA LEU 14 -1.634 -15.878 -7.688 81 HB2 LEU 14 1HB LEU 14 -1.346 -13.026 -8.605 82 HB3 LEU 14 2HB LEU 14 -0.130 -14.300 -8.673 83 HG LEU 14 HG LEU 14 -2.688 -14.313 -10.269 84 HD11 LEU 14 1HD1 LEU 14 -0.061 -13.875 -11.557 85 HD12 LEU 14 2HD1 LEU 14 -0.763 -12.515 -10.681 86 HD13 LEU 14 3HD1 LEU 14 -1.659 -13.272 -11.998 87 HD21 LEU 14 3HD2 LEU 14 -0.954 -16.373 -9.638 88 HD22 LEU 14 1HD2 LEU 14 -0.433 -15.855 -11.241 89 HD23 LEU 14 2HD2 LEU 14 -2.107 -16.344 -10.973 90 H TRP 15 H TRP 15 -2.701 -12.689 -6.559 91 HA TRP 15 HA TRP 15 -0.698 -12.399 -4.581 92 HB2 TRP 15 1HB TRP 15 -3.411 -11.138 -4.332 93 HB3 TRP 15 2HB TRP 15 -1.835 -10.475 -3.908 94 HD1 TRP 15 HD TRP 15 -4.244 -10.833 -6.820 95 HE1 TRP 15 1HE TRP 15 -3.396 -9.412 -8.792 96 HE3 TRP 15 3HE TRP 15 0.363 -9.579 -4.994 97 HZ2 TRP 15 2HZ TRP 15 -1.079 -7.954 -9.482 98 HZ3 TRP 15 3HZ TRP 15 1.835 -8.169 -6.372 99 HH2 TRP 15 HH TRP 15 1.127 -7.375 -8.570 100 H GLU 16 H GLU 16 -1.745 -11.889 -2.203 101 HA GLU 16 HA GLU 16 -2.780 -14.499 -1.351 102 HB2 GLU 16 1HB GLU 16 -1.194 -12.356 0.032 103 HB3 GLU 16 2HB GLU 16 -2.071 -13.562 0.962 104 HG2 GLU 16 1HG GLU 16 -0.802 -15.336 -0.021 105 HG3 GLU 16 2HG GLU 16 -0.025 -14.219 -1.141 106 HA PRO 17 HA PRO 17 -6.693 -12.872 -0.200 107 HB2 PRO 17 1HB PRO 17 -7.301 -14.470 1.908 108 HB3 PRO 17 2HB PRO 17 -7.321 -15.039 0.235 109 HG2 PRO 17 1HG PRO 17 -5.203 -15.372 2.324 110 HG3 PRO 17 2HG PRO 17 -5.824 -16.558 1.162 111 HD2 PRO 17 1HD PRO 17 -3.492 -15.235 0.785 112 HD3 PRO 17 2HD PRO 17 -4.535 -15.733 -0.562 113 H GLU 18 H GLU 18 -4.291 -13.264 2.364 114 HA GLU 18 HA GLU 18 -5.645 -11.510 4.188 115 HB2 GLU 18 1HB GLU 18 -3.576 -11.700 5.533 116 HB3 GLU 18 2HB GLU 18 -4.231 -13.264 5.069 117 HG2 GLU 18 1HG GLU 18 -2.048 -13.637 4.606 118 HG3 GLU 18 2HG GLU 18 -2.547 -12.965 3.054 119 H GLU 19 H GLU 19 -2.929 -11.236 1.946 120 HA GLU 19 HA GLU 19 -1.972 -8.733 2.645 121 HB2 GLU 19 1HB GLU 19 -2.098 -10.190 0.020 122 HB3 GLU 19 2HB GLU 19 -1.411 -8.574 0.123 123 HG2 GLU 19 1HG GLU 19 0.154 -9.432 1.864 124 HG3 GLU 19 2HG GLU 19 -0.459 -11.052 1.534 125 H THR 20 H THR 20 -2.273 -6.651 1.603 126 HA THR 20 HA THR 20 -5.108 -6.162 1.030 127 HB THR 20 HB THR 20 -2.943 -4.177 1.753 128 HG1 THR 20 1HG THR 20 -3.330 -5.172 3.628 129 HG21 THR 20 3HG2 THR 20 -5.915 -3.729 1.815 130 HG22 THR 20 1HG2 THR 20 -4.951 -3.386 0.379 131 HG23 THR 20 2HG2 THR 20 -4.621 -2.534 1.888 132 H VAL 21 H VAL 21 -5.305 -6.582 -1.137 133 HA VAL 21 HA VAL 21 -3.479 -5.244 -2.994 134 HB VAL 21 HB VAL 21 -5.613 -7.325 -3.480 135 HG11 VAL 21 1HG1 VAL 21 -5.495 -5.897 -5.409 136 HG12 VAL 21 2HG1 VAL 21 -3.732 -5.974 -5.411 137 HG13 VAL 21 3HG1 VAL 21 -4.679 -7.416 -5.780 138 HG21 VAL 21 3HG2 VAL 21 -2.709 -7.407 -2.985 139 HG22 VAL 21 1HG2 VAL 21 -3.951 -8.621 -2.678 140 HG23 VAL 21 2HG2 VAL 21 -3.292 -8.425 -4.302 141 H VAL 22 H VAL 22 -4.102 -3.659 -4.381 142 HA VAL 22 HA VAL 22 -6.908 -2.766 -4.232 143 HB VAL 22 HB VAL 22 -6.048 -0.434 -4.545 144 HG11 VAL 22 1HG1 VAL 22 -6.785 -1.208 -2.366 145 HG12 VAL 22 2HG1 VAL 22 -5.185 -1.876 -2.040 146 HG13 VAL 22 3HG1 VAL 22 -5.399 -0.132 -2.194 147 HG21 VAL 22 3HG2 VAL 22 -3.733 0.060 -4.079 148 HG22 VAL 22 1HG2 VAL 22 -3.390 -1.647 -3.800 149 HG23 VAL 22 2HG2 VAL 22 -3.822 -1.088 -5.415 150 H ILE 23 H ILE 23 -7.420 -1.210 -6.091 151 HA ILE 23 HA ILE 23 -6.030 -1.994 -8.556 152 HB ILE 23 HB ILE 23 -9.037 -1.933 -8.290 153 HG12 ILE 23 1HG1 ILE 23 -7.478 -4.421 -8.865 154 HG13 ILE 23 2HG1 ILE 23 -7.610 -3.869 -7.198 155 HG21 ILE 23 1HG2 ILE 23 -8.377 -3.317 -10.572 156 HG22 ILE 23 2HG2 ILE 23 -8.921 -1.642 -10.500 157 HG23 ILE 23 3HG2 ILE 23 -7.196 -2.008 -10.544 158 HD11 ILE 23 3HD1 ILE 23 -9.430 -5.421 -8.631 159 HD12 ILE 23 1HD1 ILE 23 -9.644 -4.714 -7.029 160 HD13 ILE 23 2HD1 ILE 23 -10.184 -3.836 -8.461 161 H ALA 24 H ALA 24 -6.016 -0.464 -10.186 162 HA ALA 24 HA ALA 24 -6.636 2.247 -9.327 163 HB1 ALA 24 3HB ALA 24 -5.007 2.936 -10.722 164 HB2 ALA 24 1HB ALA 24 -4.509 1.246 -10.652 165 HB3 ALA 24 2HB ALA 24 -5.485 1.823 -12.003 166 H LEU 25 H LEU 25 -8.388 3.325 -9.943 167 HA LEU 25 HA LEU 25 -10.295 2.128 -11.718 168 HB2 LEU 25 1HB LEU 25 -10.279 4.866 -10.455 169 HB3 LEU 25 2HB LEU 25 -11.655 4.102 -11.249 170 HG LEU 25 HG LEU 25 -10.401 2.750 -8.903 171 HD11 LEU 25 1HD1 LEU 25 -10.712 4.585 -7.656 172 HD12 LEU 25 2HD1 LEU 25 -12.422 4.166 -7.761 173 HD13 LEU 25 3HD1 LEU 25 -11.737 5.358 -8.866 174 HD21 LEU 25 3HD2 LEU 25 -12.296 1.868 -10.436 175 HD22 LEU 25 1HD2 LEU 25 -13.313 3.000 -9.543 176 HD23 LEU 25 2HD2 LEU 25 -12.461 1.715 -8.686 177 H TYR 26 H TYR 26 -7.834 4.572 -11.965 178 HA TYR 26 HA TYR 26 -8.466 4.853 -14.819 179 HB2 TYR 26 1HB TYR 26 -7.459 7.229 -13.302 180 HB3 TYR 26 2HB TYR 26 -8.371 7.171 -14.806 181 HD1 TYR 26 1HD TYR 26 -10.823 6.628 -14.724 182 HD2 TYR 26 2HD TYR 26 -8.554 7.435 -11.217 183 HE1 TYR 26 1HE TYR 26 -12.904 7.056 -13.485 184 HE2 TYR 26 2HE TYR 26 -10.629 7.864 -9.967 185 HH TYR 26 HH TYR 26 -13.414 8.576 -11.218 186 H ASP 27 H ASP 27 -6.660 5.462 -16.144 187 HA ASP 27 HA ASP 27 -4.192 4.292 -15.211 188 HB2 ASP 27 1HB ASP 27 -3.436 4.474 -17.483 189 HB3 ASP 27 2HB ASP 27 -5.109 3.924 -17.517 190 H TYR 28 H TYR 28 -3.323 5.664 -13.688 191 HA TYR 28 HA TYR 28 -3.028 8.478 -14.170 192 HB2 TYR 28 1HB TYR 28 -3.299 7.622 -11.893 193 HB3 TYR 28 2HB TYR 28 -1.804 6.706 -12.044 194 HD1 TYR 28 2HD TYR 28 -3.139 10.180 -12.102 195 HD2 TYR 28 1HD TYR 28 0.231 7.671 -11.430 196 HE1 TYR 28 2HE TYR 28 -1.876 12.113 -11.254 197 HE2 TYR 28 1HE TYR 28 1.503 9.597 -10.578 198 HH TYR 28 HH TYR 28 0.150 12.863 -10.638 199 H GLN 29 H GLN 29 -1.162 9.617 -14.640 200 HA GLN 29 HA GLN 29 1.139 8.012 -15.538 201 HB2 GLN 29 1HB GLN 29 -0.316 10.236 -16.909 202 HB3 GLN 29 2HB GLN 29 1.410 10.043 -17.189 203 HG2 GLN 29 1HG GLN 29 1.146 7.985 -18.218 204 HG3 GLN 29 2HG GLN 29 -0.445 7.722 -17.504 205 HE21 GLN 29 1HE2 GLN 29 -1.299 7.258 -19.551 206 HE22 GLN 29 2HE2 GLN 29 -1.634 8.509 -20.695 207 H THR 30 H THR 30 3.147 8.737 -15.009 208 HA THR 30 HA THR 30 3.590 11.401 -14.012 209 HB THR 30 HB THR 30 2.702 10.451 -11.979 210 HG1 THR 30 1HG THR 30 4.381 11.748 -11.456 211 HG21 THR 30 3HG2 THR 30 4.743 8.455 -11.475 212 HG22 THR 30 1HG2 THR 30 3.783 8.061 -12.901 213 HG23 THR 30 2HG2 THR 30 2.989 8.327 -11.348 214 H ASN 31 H ASN 31 5.474 11.942 -14.877 215 HA ASN 31 HA ASN 31 7.414 9.887 -15.561 216 HB2 ASN 31 1HB ASN 31 7.545 12.862 -16.088 217 HB3 ASN 31 2HB ASN 31 8.536 11.613 -16.835 218 HD21 ASN 31 1HD2 ASN 31 7.951 11.106 -18.805 219 HD22 ASN 31 2HD2 ASN 31 6.348 11.173 -19.446 220 H ASP 32 H ASP 32 7.105 10.235 -12.810 221 HA ASP 32 HA ASP 32 9.655 11.517 -12.072 222 HB2 ASP 32 1HB ASP 32 6.995 11.494 -10.737 223 HB3 ASP 32 2HB ASP 32 8.421 11.440 -9.705 224 HA PRO 33 HA PRO 33 11.106 7.589 -10.739 225 HB2 PRO 33 1HB PRO 33 12.888 8.367 -8.844 226 HB3 PRO 33 2HB PRO 33 13.179 8.567 -10.576 227 HG2 PRO 33 1HG PRO 33 12.219 10.574 -8.572 228 HG3 PRO 33 2HG PRO 33 13.413 10.770 -9.868 229 HD2 PRO 33 1HD PRO 33 10.856 11.630 -10.102 230 HD3 PRO 33 2HD PRO 33 11.796 11.043 -11.488 231 H GLN 34 H GLN 34 10.341 9.878 -8.119 232 HA GLN 34 HA GLN 34 9.955 7.852 -6.158 233 HB2 GLN 34 1HB GLN 34 9.122 9.625 -4.742 234 HB3 GLN 34 2HB GLN 34 10.541 10.196 -5.609 235 HG2 GLN 34 1HG GLN 34 8.739 11.082 -7.305 236 HG3 GLN 34 2HG GLN 34 7.695 10.996 -5.888 237 HE21 GLN 34 1HE2 GLN 34 7.918 12.472 -4.283 238 HE22 GLN 34 2HE2 GLN 34 9.012 13.807 -4.345 239 H GLU 35 H GLU 35 7.887 9.443 -8.479 240 HA GLU 35 HA GLU 35 5.485 8.276 -7.318 241 HB2 GLU 35 1HB GLU 35 5.921 10.092 -9.690 242 HB3 GLU 35 2HB GLU 35 4.347 9.460 -9.228 243 HG2 GLU 35 1HG GLU 35 4.406 10.626 -7.150 244 HG3 GLU 35 2HG GLU 35 6.084 11.103 -7.406 245 H LEU 36 H LEU 36 3.957 7.123 -8.779 246 HA LEU 36 HA LEU 36 5.321 5.559 -10.856 247 HB2 LEU 36 1HB LEU 36 5.377 4.163 -8.918 248 HB3 LEU 36 2HB LEU 36 3.680 4.487 -8.570 249 HG LEU 36 HG LEU 36 3.370 3.350 -10.952 250 HD11 LEU 36 1HD1 LEU 36 5.095 2.199 -11.746 251 HD12 LEU 36 2HD1 LEU 36 5.397 1.447 -10.180 252 HD13 LEU 36 3HD1 LEU 36 6.104 3.019 -10.554 253 HD21 LEU 36 3HD2 LEU 36 3.533 2.272 -8.199 254 HD22 LEU 36 1HD2 LEU 36 3.436 1.104 -9.517 255 HD23 LEU 36 2HD2 LEU 36 2.174 2.321 -9.322 256 H ALA 37 H ALA 37 4.046 4.908 -12.566 257 HA ALA 37 HA ALA 37 1.522 6.327 -12.835 258 HB1 ALA 37 3HB ALA 37 1.657 5.788 -15.179 259 HB2 ALA 37 1HB ALA 37 3.218 6.404 -14.635 260 HB3 ALA 37 2HB ALA 37 2.990 4.672 -14.883 261 H LEU 38 H LEU 38 -0.108 5.284 -11.826 262 HA LEU 38 HA LEU 38 -0.354 2.485 -11.595 263 HB2 LEU 38 1HB LEU 38 -2.106 4.829 -11.114 264 HB3 LEU 38 2HB LEU 38 -2.880 3.252 -11.250 265 HG LEU 38 HG LEU 38 -0.663 3.851 -9.299 266 HD11 LEU 38 1HD1 LEU 38 -2.365 4.076 -7.597 267 HD12 LEU 38 2HD1 LEU 38 -3.635 3.842 -8.798 268 HD13 LEU 38 3HD1 LEU 38 -2.617 5.280 -8.860 269 HD21 LEU 38 3HD2 LEU 38 -1.201 1.466 -10.051 270 HD22 LEU 38 1HD2 LEU 38 -2.717 1.667 -9.171 271 HD23 LEU 38 2HD2 LEU 38 -1.179 1.791 -8.317 272 H ARG 39 H ARG 39 -1.550 0.990 -12.727 273 HA ARG 39 HA ARG 39 -2.304 1.797 -15.441 274 HB2 ARG 39 1HB ARG 39 -0.668 -0.102 -15.008 275 HB3 ARG 39 2HB ARG 39 -2.039 -1.019 -14.397 276 HG2 ARG 39 1HG ARG 39 -1.991 -1.744 -16.556 277 HG3 ARG 39 2HG ARG 39 -3.091 -0.373 -16.715 278 HD2 ARG 39 1HD ARG 39 -0.993 0.999 -17.246 279 HD3 ARG 39 2HD ARG 39 -0.192 -0.555 -17.472 280 HE ARG 39 HE ARG 39 -2.560 -0.512 -18.982 281 HH11 ARG 39 1HH1 ARG 39 0.601 0.945 -18.903 282 HH12 ARG 39 2HH1 ARG 39 0.672 1.193 -20.616 283 HH21 ARG 39 1HH2 ARG 39 -2.478 -0.190 -21.239 284 HH22 ARG 39 2HH2 ARG 39 -1.080 0.548 -21.944 285 H ARG 40 H ARG 40 -4.334 1.530 -16.251 286 HA ARG 40 HA ARG 40 -6.510 1.496 -14.466 287 HB2 ARG 40 1HB ARG 40 -6.680 2.624 -16.598 288 HB3 ARG 40 2HB ARG 40 -6.412 1.116 -17.461 289 HG2 ARG 40 1HG ARG 40 -8.528 0.252 -16.713 290 HG3 ARG 40 2HG ARG 40 -8.785 1.671 -15.695 291 HD2 ARG 40 1HD ARG 40 -10.024 2.259 -17.526 292 HD3 ARG 40 2HD ARG 40 -8.464 2.948 -17.973 293 HE ARG 40 HE ARG 40 -9.791 0.692 -19.201 294 HH11 ARG 40 1HH1 ARG 40 -6.811 2.440 -18.776 295 HH12 ARG 40 2HH1 ARG 40 -6.090 1.821 -20.225 296 HH21 ARG 40 1HH2 ARG 40 -8.853 -0.130 -21.110 297 HH22 ARG 40 2HH2 ARG 40 -7.252 0.360 -21.552 298 H ASN 41 H ASN 41 -8.104 -0.052 -14.078 299 HA ASN 41 HA ASN 41 -8.699 -2.166 -13.416 300 HB2 ASN 41 1HB ASN 41 -9.121 -3.681 -15.322 301 HB3 ASN 41 2HB ASN 41 -9.678 -2.042 -15.647 302 HD21 ASN 41 1HD2 ASN 41 -9.279 -1.413 -17.627 303 HD22 ASN 41 2HD2 ASN 41 -7.909 -1.850 -18.585 304 H GLU 42 H GLU 42 -6.167 -1.810 -12.600 305 HA GLU 42 HA GLU 42 -4.971 -4.450 -13.066 306 HB2 GLU 42 1HB GLU 42 -3.698 -1.782 -13.404 307 HB3 GLU 42 2HB GLU 42 -2.729 -3.055 -12.677 308 HG2 GLU 42 1HG GLU 42 -4.032 -3.082 -15.385 309 HG3 GLU 42 2HG GLU 42 -2.308 -3.016 -15.025 310 H GLU 43 H GLU 43 -4.111 -5.431 -11.284 311 HA GLU 43 HA GLU 43 -4.896 -4.379 -8.729 312 HB2 GLU 43 1HB GLU 43 -3.554 -6.909 -9.639 313 HB3 GLU 43 2HB GLU 43 -3.662 -6.511 -7.930 314 HG2 GLU 43 1HG GLU 43 -6.047 -6.526 -8.003 315 HG3 GLU 43 2HG GLU 43 -6.042 -6.681 -9.759 316 H TYR 44 H TYR 44 -3.377 -4.310 -6.878 317 HA TYR 44 HA TYR 44 -0.581 -3.897 -7.437 318 HB2 TYR 44 1HB TYR 44 -2.413 -1.589 -6.833 319 HB3 TYR 44 2HB TYR 44 -0.708 -1.534 -6.403 320 HD1 TYR 44 2HD TYR 44 1.009 -1.423 -8.129 321 HD2 TYR 44 1HD TYR 44 -3.121 -1.505 -9.151 322 HE1 TYR 44 2HE TYR 44 1.564 -0.687 -10.409 323 HE2 TYR 44 1HE TYR 44 -2.576 -0.770 -11.434 324 HH TYR 44 HH TYR 44 -0.477 -0.926 -12.966 325 H CYS 45 H CYS 45 0.561 -4.519 -5.724 326 HA CYS 45 HA CYS 45 -0.800 -5.172 -3.267 327 HB2 CYS 45 1HB CYS 45 0.980 -6.609 -4.325 328 HB3 CYS 45 2HB CYS 45 2.154 -5.384 -3.862 329 HG CYS 45 HG CYS 45 2.249 -5.907 -1.283 330 H LEU 46 H LEU 46 -1.063 -3.804 -1.643 331 HA LEU 46 HA LEU 46 0.212 -1.262 -1.561 332 HB2 LEU 46 1HB LEU 46 -2.059 -1.672 -0.710 333 HB3 LEU 46 2HB LEU 46 -1.384 -2.679 0.569 334 HG LEU 46 HG LEU 46 -0.124 -0.587 1.317 335 HD11 LEU 46 1HD1 LEU 46 -1.768 0.480 -0.881 336 HD12 LEU 46 2HD1 LEU 46 -0.241 1.059 -0.216 337 HD13 LEU 46 3HD1 LEU 46 -1.757 1.430 0.605 338 HD21 LEU 46 3HD2 LEU 46 -2.645 -1.596 1.925 339 HD22 LEU 46 1HD2 LEU 46 -2.881 0.145 1.768 340 HD23 LEU 46 2HD2 LEU 46 -1.683 -0.483 2.899 341 H LEU 47 H LEU 47 2.089 -0.701 -0.682 342 HA LEU 47 HA LEU 47 3.564 -2.680 0.873 343 HB2 LEU 47 1HB LEU 47 4.438 -0.027 -0.262 344 HB3 LEU 47 2HB LEU 47 5.487 -1.196 0.539 345 HG LEU 47 HG LEU 47 3.996 -1.755 -2.022 346 HD11 LEU 47 1HD1 LEU 47 5.620 -0.813 -3.223 347 HD12 LEU 47 2HD1 LEU 47 6.886 -1.477 -2.190 348 HD13 LEU 47 3HD1 LEU 47 6.076 0.024 -1.739 349 HD21 LEU 47 3HD2 LEU 47 5.960 -3.241 -0.337 350 HD22 LEU 47 1HD2 LEU 47 5.954 -3.484 -2.084 351 HD23 LEU 47 2HD2 LEU 47 4.501 -3.819 -1.142 352 H ASP 48 H ASP 48 2.923 0.825 1.089 353 HA ASP 48 HA ASP 48 2.583 0.538 3.978 354 HB2 ASP 48 1HB ASP 48 4.800 1.197 4.082 355 HB3 ASP 48 2HB ASP 48 4.691 2.164 2.614 356 H SER 49 H SER 49 1.301 2.134 4.934 357 HA SER 49 HA SER 49 -0.035 3.965 3.050 358 HB2 SER 49 1HB SER 49 -2.054 3.624 4.659 359 HB3 SER 49 2HB SER 49 -1.702 2.380 3.461 360 HG SER 49 HG SER 49 -1.127 2.367 6.230 361 H SER 50 H SER 50 2.225 4.534 4.739 362 HA SER 50 HA SER 50 1.659 5.738 7.160 363 HB2 SER 50 1HB SER 50 3.943 5.400 6.207 364 HB3 SER 50 2HB SER 50 3.648 6.755 5.117 365 HG SER 50 HG SER 50 4.703 7.564 6.886 366 H GLU 51 H GLU 51 1.263 7.009 3.900 367 HA GLU 51 HA GLU 51 0.203 9.515 4.995 368 HB2 GLU 51 1HB GLU 51 1.359 8.708 2.368 369 HB3 GLU 51 2HB GLU 51 0.172 10.005 2.384 370 HG2 GLU 51 1HG GLU 51 2.760 9.939 3.918 371 HG3 GLU 51 2HG GLU 51 2.416 10.899 2.481 372 H ILE 52 H ILE 52 -1.613 10.414 3.407 373 HA ILE 52 HA ILE 52 -3.672 8.312 3.287 374 HB ILE 52 HB ILE 52 -4.030 11.293 3.618 375 HG12 ILE 52 1HG1 ILE 52 -4.463 9.017 5.564 376 HG13 ILE 52 2HG1 ILE 52 -3.146 10.182 5.628 377 HG21 ILE 52 1HG2 ILE 52 -5.797 9.893 2.340 378 HG22 ILE 52 2HG2 ILE 52 -6.198 9.260 3.936 379 HG23 ILE 52 3HG2 ILE 52 -6.325 10.989 3.617 380 HD11 ILE 52 3HD1 ILE 52 -4.395 11.563 6.811 381 HD12 ILE 52 1HD1 ILE 52 -5.623 11.586 5.546 382 HD13 ILE 52 2HD1 ILE 52 -5.685 10.361 6.813 383 H HIS 53 H HIS 53 -2.945 11.445 1.736 384 HA HIS 53 HA HIS 53 -4.450 10.930 -0.588 385 HB2 HIS 53 1HB HIS 53 -2.059 12.765 -0.463 386 HB3 HIS 53 2HB HIS 53 -3.486 12.909 -1.485 387 HD1 HIS 53 1HD HIS 53 -5.769 13.483 -0.145 388 HD2 HIS 53 2HD HIS 53 -2.202 14.142 1.880 389 HE1 HIS 53 1HE HIS 53 -6.353 15.011 1.765 390 HE2 HIS 53 2HE HIS 53 -4.164 15.463 2.926 391 H TRP 54 H TRP 54 -0.974 10.618 0.072 392 HA TRP 54 HA TRP 54 -0.660 9.207 -2.484 393 HB2 TRP 54 1HB TRP 54 1.503 10.246 -0.644 394 HB3 TRP 54 2HB TRP 54 1.714 9.628 -2.279 395 HD1 TRP 54 HD TRP 54 1.218 12.789 -0.425 396 HE1 TRP 54 1HE TRP 54 0.766 14.729 -2.055 397 HE3 TRP 54 3HE TRP 54 0.345 10.089 -4.677 398 HZ2 TRP 54 2HZ TRP 54 0.124 15.069 -4.783 399 HZ3 TRP 54 3HZ TRP 54 -0.182 11.298 -6.755 400 HH2 TRP 54 HH TRP 54 -0.290 13.736 -6.804 401 H TRP 55 H TRP 55 -0.848 7.075 -2.353 402 HA TRP 55 HA TRP 55 0.030 5.719 0.103 403 HB2 TRP 55 1HB TRP 55 -2.058 5.130 -1.946 404 HB3 TRP 55 2HB TRP 55 -1.291 3.771 -1.129 405 HD1 TRP 55 HD TRP 55 -1.437 6.537 1.268 406 HE1 TRP 55 1HE TRP 55 -3.436 6.268 2.868 407 HE3 TRP 55 3HE TRP 55 -4.021 2.924 -1.263 408 HZ2 TRP 55 2HZ TRP 55 -5.795 4.728 3.034 409 HZ3 TRP 55 3HZ TRP 55 -6.140 2.107 -0.315 410 HH2 TRP 55 HH TRP 55 -7.007 2.991 1.789 411 H ARG 56 H ARG 56 1.508 4.070 0.051 412 HA ARG 56 HA ARG 56 3.099 3.883 -2.390 413 HB2 ARG 56 1HB ARG 56 4.023 4.308 0.003 414 HB3 ARG 56 2HB ARG 56 3.807 2.576 0.217 415 HG2 ARG 56 1HG ARG 56 5.379 2.067 -1.457 416 HG3 ARG 56 2HG ARG 56 5.382 3.724 -2.065 417 HD2 ARG 56 1HD ARG 56 6.525 4.516 -0.138 418 HD3 ARG 56 2HD ARG 56 6.289 2.987 0.708 419 HE ARG 56 HE ARG 56 8.309 3.595 -1.263 420 HH11 ARG 56 1HH1 ARG 56 6.555 1.101 0.418 421 HH12 ARG 56 2HH1 ARG 56 7.766 -0.110 0.153 422 HH21 ARG 56 1HH2 ARG 56 9.910 2.010 -1.618 423 HH22 ARG 56 2HH2 ARG 56 9.674 0.408 -1.004 424 H VAL 57 H VAL 57 2.941 2.213 -3.725 425 HA VAL 57 HA VAL 57 2.140 -0.404 -2.678 426 HB VAL 57 HB VAL 57 0.495 -0.788 -4.343 427 HG11 VAL 57 1HG1 VAL 57 0.004 0.810 -2.343 428 HG12 VAL 57 2HG1 VAL 57 -0.163 2.031 -3.606 429 HG13 VAL 57 3HG1 VAL 57 -1.197 0.601 -3.617 430 HG21 VAL 57 3HG2 VAL 57 0.631 0.122 -6.364 431 HG22 VAL 57 1HG2 VAL 57 0.261 1.707 -5.685 432 HG23 VAL 57 2HG2 VAL 57 1.936 1.169 -5.804 433 H GLN 58 H GLN 58 2.323 -2.088 -4.526 434 HA GLN 58 HA GLN 58 4.635 -1.458 -6.231 435 HB2 GLN 58 1HB GLN 58 5.334 -2.716 -4.190 436 HB3 GLN 58 2HB GLN 58 4.286 -4.035 -4.693 437 HG2 GLN 58 1HG GLN 58 5.633 -4.601 -6.482 438 HG3 GLN 58 2HG GLN 58 6.399 -3.014 -6.537 439 HE21 GLN 58 1HE2 GLN 58 8.272 -2.726 -5.509 440 HE22 GLN 58 2HE2 GLN 58 9.024 -3.883 -4.470 441 H ASP 59 H ASP 59 4.526 -2.203 -8.275 442 HA ASP 59 HA ASP 59 2.042 -3.335 -9.175 443 HB2 ASP 59 1HB ASP 59 3.352 -1.609 -10.449 444 HB3 ASP 59 2HB ASP 59 4.555 -2.851 -10.784 445 H ARG 60 H ARG 60 2.185 -5.162 -10.866 446 HA ARG 60 HA ARG 60 3.129 -7.485 -9.527 447 HB2 ARG 60 1HB ARG 60 2.357 -8.675 -11.582 448 HB3 ARG 60 2HB ARG 60 1.136 -7.639 -10.857 449 HG2 ARG 60 1HG ARG 60 1.361 -6.015 -12.548 450 HG3 ARG 60 2HG ARG 60 2.857 -6.738 -13.145 451 HD2 ARG 60 1HD ARG 60 1.405 -7.564 -14.694 452 HD3 ARG 60 2HD ARG 60 1.279 -8.835 -13.479 453 HE ARG 60 HE ARG 60 -0.747 -6.898 -14.197 454 HH11 ARG 60 1HH1 ARG 60 0.353 -9.240 -11.868 455 HH12 ARG 60 2HH1 ARG 60 -1.216 -9.480 -11.174 456 HH21 ARG 60 1HH2 ARG 60 -2.818 -7.206 -13.291 457 HH22 ARG 60 2HH2 ARG 60 -3.019 -8.323 -11.985 458 H ASN 61 H ASN 61 4.382 -5.465 -12.080 459 HA ASN 61 HA ASN 61 6.346 -7.296 -13.027 460 HB2 ASN 61 1HB ASN 61 5.850 -4.359 -13.352 461 HB3 ASN 61 2HB ASN 61 7.391 -5.037 -13.869 462 HD21 ASN 61 1HD2 ASN 61 3.983 -4.889 -14.448 463 HD22 ASN 61 2HD2 ASN 61 4.000 -5.676 -15.986 464 H GLY 62 H GLY 62 6.379 -4.645 -10.678 465 HA2 GLY 62 1HA GLY 62 7.877 -5.295 -8.711 466 HA3 GLY 62 2HA GLY 62 9.128 -5.414 -9.940 467 H HIS 63 H HIS 63 6.653 -2.964 -10.092 468 HA HIS 63 HA HIS 63 8.718 -0.938 -9.555 469 HB2 HIS 63 1HB HIS 63 6.113 -0.410 -10.967 470 HB3 HIS 63 2HB HIS 63 7.602 0.530 -11.023 471 HD1 HIS 63 1HD HIS 63 6.384 -0.233 -13.656 472 HD2 HIS 63 2HD HIS 63 9.107 -2.657 -11.662 473 HE1 HIS 63 1HE HIS 63 7.390 -1.710 -15.425 474 HE2 HIS 63 2HE HIS 63 8.972 -3.226 -14.182 475 H GLU 64 H GLU 64 7.833 1.155 -8.652 476 HA GLU 64 HA GLU 64 5.445 1.040 -7.075 477 HB2 GLU 64 1HB GLU 64 6.853 1.474 -4.917 478 HB3 GLU 64 2HB GLU 64 6.555 -0.173 -5.453 479 HG2 GLU 64 1HG GLU 64 8.794 -0.239 -4.973 480 HG3 GLU 64 2HG GLU 64 8.814 0.103 -6.702 481 H GLY 65 H GLY 65 5.285 3.030 -5.630 482 HA2 GLY 65 1HA GLY 65 6.858 5.248 -5.681 483 HA3 GLY 65 2HA GLY 65 6.018 5.316 -7.223 484 H TYR 66 H TYR 66 5.638 7.372 -5.550 485 HA TYR 66 HA TYR 66 3.393 6.988 -3.811 486 HB2 TYR 66 1HB TYR 66 4.828 9.432 -4.839 487 HB3 TYR 66 2HB TYR 66 3.395 9.548 -3.823 488 HD1 TYR 66 1HD TYR 66 3.801 7.416 -1.873 489 HD2 TYR 66 2HD TYR 66 6.613 10.141 -3.537 490 HE1 TYR 66 1HE TYR 66 5.202 7.188 0.135 491 HE2 TYR 66 2HE TYR 66 8.023 9.919 -1.534 492 HH TYR 66 HH TYR 66 8.385 8.671 0.334 493 H VAL 67 H VAL 67 1.394 6.665 -4.502 494 HA VAL 67 HA VAL 67 0.482 8.107 -6.904 495 HB VAL 67 HB VAL 67 -1.086 6.129 -7.255 496 HG11 VAL 67 1HG1 VAL 67 0.425 6.123 -8.927 497 HG12 VAL 67 2HG1 VAL 67 1.796 6.310 -7.831 498 HG13 VAL 67 3HG1 VAL 67 1.068 4.721 -8.072 499 HG21 VAL 67 3HG2 VAL 67 -0.072 5.282 -4.853 500 HG22 VAL 67 1HG2 VAL 67 -0.945 4.276 -6.008 501 HG23 VAL 67 2HG2 VAL 67 0.818 4.296 -6.013 502 HA PRO 68 HA PRO 68 -2.867 9.626 -4.504 503 HB2 PRO 68 1HB PRO 68 -4.814 9.812 -6.387 504 HB3 PRO 68 2HB PRO 68 -3.429 10.910 -6.325 505 HG2 PRO 68 1HG PRO 68 -3.862 8.504 -8.052 506 HG3 PRO 68 2HG PRO 68 -3.199 10.089 -8.488 507 HD2 PRO 68 1HD PRO 68 -1.631 7.931 -8.024 508 HD3 PRO 68 2HD PRO 68 -1.112 9.587 -7.648 509 H SER 69 H SER 69 -3.728 8.300 -3.017 510 HA SER 69 HA SER 69 -4.625 5.727 -3.300 511 HB2 SER 69 1HB SER 69 -5.802 6.005 -1.208 512 HB3 SER 69 2HB SER 69 -4.313 6.946 -1.134 513 HG SER 69 HG SER 69 -6.969 7.820 -1.349 514 H SER 70 H SER 70 -6.182 8.631 -4.309 515 HA SER 70 HA SER 70 -8.858 7.888 -4.348 516 HB2 SER 70 1HB SER 70 -7.200 9.758 -5.998 517 HB3 SER 70 2HB SER 70 -8.862 9.427 -6.487 518 HG SER 70 HG SER 70 -9.115 11.072 -5.125 519 H TYR 71 H TYR 71 -6.319 7.282 -6.740 520 HA TYR 71 HA TYR 71 -8.014 6.017 -8.633 521 HB2 TYR 71 1HB TYR 71 -5.028 6.029 -8.223 522 HB3 TYR 71 2HB TYR 71 -5.788 5.100 -9.510 523 HD1 TYR 71 1HD TYR 71 -6.454 8.529 -8.182 524 HD2 TYR 71 2HD TYR 71 -5.344 6.142 -11.525 525 HE1 TYR 71 1HE TYR 71 -6.470 10.532 -9.610 526 HE2 TYR 71 2HE TYR 71 -5.356 8.138 -12.961 527 HH TYR 71 HH TYR 71 -6.810 10.938 -12.205 528 H LEU 72 H LEU 72 -5.897 4.792 -6.069 529 HA LEU 72 HA LEU 72 -6.327 2.048 -6.623 530 HB2 LEU 72 1HB LEU 72 -5.436 3.465 -4.120 531 HB3 LEU 72 2HB LEU 72 -5.459 1.712 -4.302 532 HG LEU 72 HG LEU 72 -3.812 3.585 -5.999 533 HD11 LEU 72 1HD1 LEU 72 -3.148 2.032 -3.517 534 HD12 LEU 72 2HD1 LEU 72 -2.891 3.745 -3.846 535 HD13 LEU 72 3HD1 LEU 72 -1.916 2.531 -4.676 536 HD21 LEU 72 3HD2 LEU 72 -3.498 1.818 -7.301 537 HD22 LEU 72 1HD2 LEU 72 -4.536 0.838 -6.265 538 HD23 LEU 72 2HD2 LEU 72 -2.807 0.948 -5.930 539 H VAL 73 H VAL 73 -7.626 0.532 -5.546 540 HA VAL 73 HA VAL 73 -9.671 1.499 -3.714 541 HB VAL 73 HB VAL 73 -11.542 0.908 -4.964 542 HG11 VAL 73 1HG1 VAL 73 -9.668 1.939 -7.086 543 HG12 VAL 73 2HG1 VAL 73 -11.416 2.164 -6.994 544 HG13 VAL 73 3HG1 VAL 73 -10.362 2.941 -5.812 545 HG21 VAL 73 3HG2 VAL 73 -11.125 -0.247 -7.289 546 HG22 VAL 73 1HG2 VAL 73 -9.639 -0.785 -6.508 547 HG23 VAL 73 2HG2 VAL 73 -11.203 -1.199 -5.807 548 H GLU 74 H GLU 74 -10.250 -0.003 -2.246 549 HA GLU 74 HA GLU 74 -8.776 -2.400 -2.030 550 HB2 GLU 74 1HB GLU 74 -10.003 -0.952 -0.216 551 HB3 GLU 74 2HB GLU 74 -11.361 -2.010 -0.572 552 HG2 GLU 74 1HG GLU 74 -9.570 -3.894 -0.207 553 HG3 GLU 74 2HG GLU 74 -8.756 -2.631 0.715 554 H LYS 75 H LYS 75 -9.052 -4.237 -3.087 555 HA LYS 75 HA LYS 75 -10.905 -4.856 -4.963 556 HB2 LYS 75 1HB LYS 75 -8.881 -6.203 -4.427 557 HB3 LYS 75 2HB LYS 75 -9.727 -6.863 -3.033 558 HG2 LYS 75 1HG LYS 75 -10.103 -8.523 -4.540 559 HG3 LYS 75 2HG LYS 75 -11.516 -7.513 -4.854 560 HD2 LYS 75 1HD LYS 75 -10.659 -6.705 -6.844 561 HD3 LYS 75 2HD LYS 75 -8.990 -7.044 -6.382 562 HE2 LYS 75 1HE LYS 75 -9.454 -8.672 -7.980 563 HE3 LYS 75 2HE LYS 75 -9.694 -9.517 -6.452 564 HZ1 LYS 75 3HZ LYS 75 -11.581 -8.940 -8.528 565 HZ2 LYS 75 1HZ LYS 75 -12.141 -8.467 -7.003 566 HZ3 LYS 75 2HZ LYS 75 -11.672 -10.069 -7.272 567 H SER 76 H SER 76 -13.045 -4.890 -4.906 568 HA SER 76 HA SER 76 -14.371 -5.930 -2.487 569 HB2 SER 76 1HB SER 76 -15.550 -3.932 -4.426 570 HB3 SER 76 2HB SER 76 -16.188 -4.406 -2.852 571 HG SER 76 HG SER 76 -14.913 -2.350 -3.058 572 HA PRO 77 HA PRO 77 -15.421 -8.839 -5.895 573 HB2 PRO 77 1HB PRO 77 -15.439 -11.033 -4.296 574 HB3 PRO 77 2HB PRO 77 -13.964 -10.390 -5.028 575 HG2 PRO 77 1HG PRO 77 -15.017 -10.021 -2.250 576 HG3 PRO 77 2HG PRO 77 -13.357 -10.343 -2.784 577 HD2 PRO 77 1HD PRO 77 -14.213 -7.866 -2.101 578 HD3 PRO 77 2HD PRO 77 -12.976 -8.140 -3.345 579 H ASN 78 H ASN 78 -16.723 -8.532 -2.622 580 HA ASN 78 HA ASN 78 -19.005 -9.964 -2.652 581 HB2 ASN 78 1HB ASN 78 -18.220 -8.374 -0.847 582 HB3 ASN 78 2HB ASN 78 -18.976 -7.076 -1.766 583 HD21 ASN 78 1HD2 ASN 78 -19.710 -7.662 0.825 584 HD22 ASN 78 2HD2 ASN 78 -21.320 -8.290 0.831 585 H ASN 79 H ASN 79 -18.784 -6.655 -3.967 586 HA ASN 79 HA ASN 79 -20.465 -7.287 -6.184 587 HB2 ASN 79 1HB ASN 79 -22.247 -7.140 -4.568 588 HB3 ASN 79 2HB ASN 79 -21.614 -5.623 -3.936 589 HD21 ASN 79 1HD2 ASN 79 -22.301 -3.775 -4.795 590 HD22 ASN 79 2HD2 ASN 79 -23.288 -3.640 -6.206 591 H LEU 80 H LEU 80 -20.874 -5.375 -7.559 592 HA LEU 80 HA LEU 80 -18.536 -3.705 -7.634 593 HB2 LEU 80 1HB LEU 80 -21.005 -3.683 -9.364 594 HB3 LEU 80 2HB LEU 80 -19.510 -2.810 -9.694 595 HG LEU 80 HG LEU 80 -18.440 -5.189 -9.657 596 HD11 LEU 80 1HD1 LEU 80 -21.329 -5.744 -9.630 597 HD12 LEU 80 2HD1 LEU 80 -19.971 -6.746 -9.119 598 HD13 LEU 80 3HD1 LEU 80 -20.390 -6.636 -10.828 599 HD21 LEU 80 3HD2 LEU 80 -19.117 -5.445 -12.097 600 HD22 LEU 80 1HD2 LEU 80 -18.360 -3.921 -11.633 601 HD23 LEU 80 2HD2 LEU 80 -20.108 -4.005 -11.858 602 H GLU 81 H GLU 81 -18.321 -1.663 -6.957 603 HA GLU 81 HA GLU 81 -20.560 -0.427 -5.580 604 HB2 GLU 81 1HB GLU 81 -17.617 0.165 -5.743 605 HB3 GLU 81 2HB GLU 81 -18.740 1.325 -5.048 606 HG2 GLU 81 1HG GLU 81 -19.404 -0.254 -3.360 607 HG3 GLU 81 2HG GLU 81 -18.414 -1.511 -4.100 608 H THR 82 H THR 82 -21.033 -0.536 -8.282 609 HA THR 82 HA THR 82 -20.251 1.896 -9.587 610 HB THR 82 HB THR 82 -22.459 -0.018 -10.362 611 HG1 THR 82 1HG THR 82 -20.114 -0.765 -10.170 612 HG21 THR 82 3HG2 THR 82 -22.714 2.041 -11.540 613 HG22 THR 82 1HG2 THR 82 -21.963 0.898 -12.653 614 HG23 THR 82 2HG2 THR 82 -20.984 2.138 -11.868 615 H TYR 83 H TYR 83 -21.675 3.595 -10.244 616 HA TYR 83 HA TYR 83 -23.341 4.539 -8.163 617 HB2 TYR 83 1HB TYR 83 -22.028 5.803 -10.079 618 HB3 TYR 83 2HB TYR 83 -23.563 5.650 -10.928 619 HD1 TYR 83 2HD TYR 83 -22.418 6.583 -7.486 620 HD2 TYR 83 1HD TYR 83 -24.937 7.488 -10.794 621 HE1 TYR 83 2HE TYR 83 -23.269 8.557 -6.291 622 HE2 TYR 83 1HE TYR 83 -25.794 9.465 -9.608 623 HH TYR 83 HH TYR 83 -26.019 10.205 -7.187 624 H GLU 84 H GLU 84 -25.612 5.466 -8.846 625 HA GLU 84 HA GLU 84 -27.121 3.572 -10.466 626 HB2 GLU 84 1HB GLU 84 -28.827 3.374 -8.588 627 HB3 GLU 84 2HB GLU 84 -27.331 2.472 -8.390 628 HG2 GLU 84 1HG GLU 84 -26.504 4.449 -7.023 629 HG3 GLU 84 2HG GLU 84 -28.179 4.996 -7.013 630 H TRP 85 H TRP 85 -28.043 4.926 -11.865 631 HA TRP 85 HA TRP 85 -29.911 6.897 -10.908 632 HB2 TRP 85 1HB TRP 85 -28.102 8.386 -10.823 633 HB3 TRP 85 2HB TRP 85 -27.349 7.698 -12.259 634 HD1 TRP 85 HD TRP 85 -28.376 8.436 -14.652 635 HE1 TRP 85 1HE TRP 85 -29.697 10.534 -15.346 636 HE3 TRP 85 3HE TRP 85 -29.799 10.067 -10.021 637 HZ2 TRP 85 2HZ TRP 85 -31.150 12.606 -14.095 638 HZ3 TRP 85 3HZ TRP 85 -31.153 12.116 -9.856 639 HH2 TRP 85 HH TRP 85 -31.812 13.357 -11.852 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -23.160 -39.696 -21.428 2 HA2 GLY 1 1HA GLY 1 -24.193 -39.625 -24.189 3 HA3 GLY 1 2HA GLY 1 -25.148 -38.970 -22.867 4 H SER 2 H SER 2 -24.876 -36.894 -22.334 5 HA SER 2 HA SER 2 -22.936 -35.344 -23.830 6 HB2 SER 2 1HB SER 2 -25.449 -34.760 -23.255 7 HB3 SER 2 2HB SER 2 -24.734 -34.120 -21.775 8 HG SER 2 HG SER 2 -24.534 -32.427 -23.057 9 H SER 3 H SER 3 -21.039 -34.676 -23.081 10 HA SER 3 HA SER 3 -20.256 -35.317 -20.379 11 HB2 SER 3 1HB SER 3 -18.812 -35.513 -22.518 12 HB3 SER 3 2HB SER 3 -18.567 -33.776 -22.337 13 HG SER 3 HG SER 3 -18.022 -34.511 -20.025 14 H GLY 4 H GLY 4 -20.441 -32.340 -22.330 15 HA2 GLY 4 1HA GLY 4 -21.585 -30.457 -21.118 16 HA3 GLY 4 2HA GLY 4 -20.481 -30.817 -19.798 17 H SER 5 H SER 5 -20.256 -28.362 -20.339 18 HA SER 5 HA SER 5 -17.901 -28.112 -22.083 19 HB2 SER 5 1HB SER 5 -18.706 -25.852 -22.751 20 HB3 SER 5 2HB SER 5 -19.769 -27.148 -23.300 21 HG SER 5 HG SER 5 -21.283 -26.117 -22.289 22 H SER 6 H SER 6 -16.196 -27.370 -21.022 23 HA SER 6 HA SER 6 -16.600 -25.511 -18.785 24 HB2 SER 6 1HB SER 6 -14.954 -26.698 -17.430 25 HB3 SER 6 2HB SER 6 -16.271 -27.787 -17.863 26 HG SER 6 HG SER 6 -13.734 -28.196 -18.250 27 H GLY 7 H GLY 7 -14.696 -24.247 -18.243 28 HA2 GLY 7 1HA GLY 7 -12.383 -24.294 -19.923 29 HA3 GLY 7 2HA GLY 7 -13.492 -23.012 -20.386 30 H GLU 8 H GLU 8 -11.182 -24.102 -18.062 31 HA GLU 8 HA GLU 8 -11.169 -21.428 -16.874 32 HB2 GLU 8 1HB GLU 8 -10.935 -22.376 -14.608 33 HB3 GLU 8 2HB GLU 8 -12.490 -22.759 -15.333 34 HG2 GLU 8 1HG GLU 8 -11.784 -24.726 -14.278 35 HG3 GLU 8 2HG GLU 8 -11.486 -24.980 -15.997 36 H ASP 9 H ASP 9 -9.181 -21.179 -15.419 37 HA ASP 9 HA ASP 9 -6.900 -22.420 -16.800 38 HB2 ASP 9 1HB ASP 9 -6.986 -19.854 -15.197 39 HB3 ASP 9 2HB ASP 9 -5.597 -20.477 -16.082 40 H ASN 10 H ASN 10 -7.702 -21.139 -13.565 41 HA ASN 10 HA ASN 10 -6.663 -23.547 -12.332 42 HB2 ASN 10 1HB ASN 10 -4.748 -21.826 -12.719 43 HB3 ASN 10 2HB ASN 10 -5.495 -20.946 -11.389 44 HD21 ASN 10 1HD2 ASN 10 -4.436 -24.224 -12.230 45 HD22 ASN 10 2HD2 ASN 10 -3.783 -24.596 -10.674 46 H ARG 11 H ARG 11 -7.451 -23.900 -10.272 47 HA ARG 11 HA ARG 11 -9.769 -22.333 -9.555 48 HB2 ARG 11 1HB ARG 11 -8.545 -24.751 -8.212 49 HB3 ARG 11 2HB ARG 11 -10.107 -24.044 -7.818 50 HG2 ARG 11 1HG ARG 11 -9.411 -25.159 -10.524 51 HG3 ARG 11 2HG ARG 11 -10.207 -26.083 -9.247 52 HD2 ARG 11 1HD ARG 11 -11.848 -24.018 -9.254 53 HD3 ARG 11 2HD ARG 11 -11.239 -23.831 -10.898 54 HE ARG 11 HE ARG 11 -11.942 -26.472 -10.692 55 HH11 ARG 11 1HH1 ARG 11 -13.563 -23.418 -10.280 56 HH12 ARG 11 2HH1 ARG 11 -15.111 -24.026 -10.763 57 HH21 ARG 11 1HH2 ARG 11 -13.976 -27.284 -11.331 58 HH22 ARG 11 2HH2 ARG 11 -15.345 -26.226 -11.360 59 H ARG 12 H ARG 12 -7.496 -20.783 -9.349 60 HA ARG 12 HA ARG 12 -7.621 -20.021 -6.569 61 HB2 ARG 12 1HB ARG 12 -5.839 -21.668 -6.463 62 HB3 ARG 12 2HB ARG 12 -5.006 -20.896 -7.805 63 HG2 ARG 12 1HG ARG 12 -3.814 -20.020 -6.089 64 HG3 ARG 12 2HG ARG 12 -5.096 -18.810 -6.176 65 HD2 ARG 12 1HD ARG 12 -4.964 -19.320 -3.905 66 HD3 ARG 12 2HD ARG 12 -6.328 -20.281 -4.474 67 HE ARG 12 HE ARG 12 -3.933 -21.783 -4.607 68 HH11 ARG 12 1HH1 ARG 12 -6.271 -20.543 -2.344 69 HH12 ARG 12 2HH1 ARG 12 -5.998 -21.794 -1.177 70 HH21 ARG 12 1HH2 ARG 12 -3.565 -23.435 -3.078 71 HH22 ARG 12 2HH2 ARG 12 -4.458 -23.438 -1.595 72 HA PRO 13 HA PRO 13 -7.297 -16.077 -8.515 73 HB2 PRO 13 1HB PRO 13 -6.813 -14.584 -6.299 74 HB3 PRO 13 2HB PRO 13 -8.404 -15.256 -6.676 75 HG2 PRO 13 1HG PRO 13 -6.312 -16.281 -4.796 76 HG3 PRO 13 2HG PRO 13 -8.067 -16.172 -4.566 77 HD2 PRO 13 1HD PRO 13 -6.826 -18.485 -5.232 78 HD3 PRO 13 2HD PRO 13 -8.472 -18.094 -5.772 79 H LEU 14 H LEU 14 -5.783 -14.245 -8.720 80 HA LEU 14 HA LEU 14 -3.105 -15.168 -9.028 81 HB2 LEU 14 1HB LEU 14 -4.580 -12.647 -9.545 82 HB3 LEU 14 2HB LEU 14 -2.825 -12.551 -9.417 83 HG LEU 14 HG LEU 14 -4.119 -14.501 -11.290 84 HD11 LEU 14 1HD1 LEU 14 -3.268 -11.821 -12.260 85 HD12 LEU 14 2HD1 LEU 14 -4.866 -11.994 -11.536 86 HD13 LEU 14 3HD1 LEU 14 -4.429 -12.957 -12.947 87 HD21 LEU 14 3HD2 LEU 14 -1.756 -13.310 -12.279 88 HD22 LEU 14 1HD2 LEU 14 -2.000 -14.972 -11.741 89 HD23 LEU 14 2HD2 LEU 14 -1.460 -13.745 -10.595 90 H TRP 15 H TRP 15 -4.562 -12.653 -6.966 91 HA TRP 15 HA TRP 15 -2.120 -12.585 -5.359 92 HB2 TRP 15 1HB TRP 15 -4.565 -10.845 -5.028 93 HB3 TRP 15 2HB TRP 15 -2.938 -10.549 -4.421 94 HD1 TRP 15 HD TRP 15 -4.973 -10.458 -7.678 95 HE1 TRP 15 1HE TRP 15 -3.724 -8.981 -9.376 96 HE3 TRP 15 3HE TRP 15 -0.668 -9.652 -5.041 97 HZ2 TRP 15 2HZ TRP 15 -1.242 -7.651 -9.572 98 HZ3 TRP 15 3HZ TRP 15 1.095 -8.267 -6.056 99 HH2 TRP 15 HH TRP 15 0.812 -7.288 -8.274 100 H GLU 16 H GLU 16 -2.874 -11.992 -2.893 101 HA GLU 16 HA GLU 16 -4.593 -14.237 -2.063 102 HB2 GLU 16 1HB GLU 16 -1.974 -13.263 -0.998 103 HB3 GLU 16 2HB GLU 16 -3.118 -14.016 0.104 104 HG2 GLU 16 1HG GLU 16 -3.171 -15.894 -1.714 105 HG3 GLU 16 2HG GLU 16 -1.615 -15.204 -2.172 106 HA PRO 17 HA PRO 17 -7.120 -11.391 0.126 107 HB2 PRO 17 1HB PRO 17 -7.968 -12.946 2.183 108 HB3 PRO 17 2HB PRO 17 -8.539 -13.154 0.524 109 HG2 PRO 17 1HG PRO 17 -6.436 -14.682 2.008 110 HG3 PRO 17 2HG PRO 17 -7.714 -15.288 0.938 111 HD2 PRO 17 1HD PRO 17 -5.150 -14.985 0.120 112 HD3 PRO 17 2HD PRO 17 -6.533 -14.770 -0.973 113 H GLU 18 H GLU 18 -4.568 -13.065 1.857 114 HA GLU 18 HA GLU 18 -4.698 -11.603 4.266 115 HB2 GLU 18 1HB GLU 18 -3.400 -13.781 3.692 116 HB3 GLU 18 2HB GLU 18 -2.128 -12.690 3.160 117 HG2 GLU 18 1HG GLU 18 -1.700 -11.929 5.283 118 HG3 GLU 18 2HG GLU 18 -3.313 -12.330 5.868 119 H GLU 19 H GLU 19 -3.071 -11.019 1.205 120 HA GLU 19 HA GLU 19 -1.734 -8.654 2.235 121 HB2 GLU 19 1HB GLU 19 -1.711 -10.116 -0.385 122 HB3 GLU 19 2HB GLU 19 -1.072 -8.482 -0.278 123 HG2 GLU 19 1HG GLU 19 -0.143 -10.623 1.593 124 HG3 GLU 19 2HG GLU 19 0.541 -10.462 -0.023 125 H THR 20 H THR 20 -2.170 -6.550 1.624 126 HA THR 20 HA THR 20 -4.907 -6.031 0.863 127 HB THR 20 HB THR 20 -2.717 -4.015 1.387 128 HG1 THR 20 1HG THR 20 -3.100 -5.466 3.179 129 HG21 THR 20 3HG2 THR 20 -5.725 -3.850 1.307 130 HG22 THR 20 1HG2 THR 20 -4.564 -2.966 0.318 131 HG23 THR 20 2HG2 THR 20 -4.712 -2.606 2.038 132 H VAL 21 H VAL 21 -5.125 -6.571 -1.290 133 HA VAL 21 HA VAL 21 -3.355 -5.282 -3.231 134 HB VAL 21 HB VAL 21 -5.490 -7.385 -3.612 135 HG11 VAL 21 1HG1 VAL 21 -3.927 -5.760 -5.529 136 HG12 VAL 21 2HG1 VAL 21 -4.097 -7.479 -5.891 137 HG13 VAL 21 3HG1 VAL 21 -5.532 -6.473 -5.688 138 HG21 VAL 21 3HG2 VAL 21 -2.648 -7.476 -2.987 139 HG22 VAL 21 1HG2 VAL 21 -3.871 -8.743 -2.888 140 HG23 VAL 21 2HG2 VAL 21 -3.065 -8.413 -4.422 141 H VAL 22 H VAL 22 -3.926 -3.456 -4.196 142 HA VAL 22 HA VAL 22 -6.773 -2.699 -4.204 143 HB VAL 22 HB VAL 22 -5.769 -0.349 -4.640 144 HG11 VAL 22 1HG1 VAL 22 -5.692 0.102 -2.282 145 HG12 VAL 22 2HG1 VAL 22 -6.944 -1.105 -2.584 146 HG13 VAL 22 3HG1 VAL 22 -5.384 -1.597 -1.923 147 HG21 VAL 22 3HG2 VAL 22 -3.553 0.014 -3.711 148 HG22 VAL 22 1HG2 VAL 22 -3.392 -1.709 -3.376 149 HG23 VAL 22 2HG2 VAL 22 -3.474 -1.139 -5.043 150 H ILE 23 H ILE 23 -7.444 -1.312 -6.052 151 HA ILE 23 HA ILE 23 -6.010 -2.009 -8.528 152 HB ILE 23 HB ILE 23 -9.013 -1.870 -8.353 153 HG12 ILE 23 1HG1 ILE 23 -7.362 -4.399 -8.387 154 HG13 ILE 23 2HG1 ILE 23 -8.015 -3.700 -6.909 155 HG21 ILE 23 1HG2 ILE 23 -8.239 -3.533 -10.426 156 HG22 ILE 23 2HG2 ILE 23 -8.789 -1.864 -10.568 157 HG23 ILE 23 3HG2 ILE 23 -7.064 -2.218 -10.468 158 HD11 ILE 23 3HD1 ILE 23 -10.172 -3.855 -8.669 159 HD12 ILE 23 1HD1 ILE 23 -9.290 -5.370 -8.862 160 HD13 ILE 23 2HD1 ILE 23 -9.853 -4.874 -7.265 161 H ALA 24 H ALA 24 -6.115 -0.503 -10.213 162 HA ALA 24 HA ALA 24 -6.710 2.217 -9.330 163 HB1 ALA 24 3HB ALA 24 -5.264 2.977 -10.993 164 HB2 ALA 24 1HB ALA 24 -4.509 1.485 -10.430 165 HB3 ALA 24 2HB ALA 24 -5.422 1.497 -11.940 166 H LEU 25 H LEU 25 -8.389 3.369 -10.047 167 HA LEU 25 HA LEU 25 -10.337 2.127 -11.752 168 HB2 LEU 25 1HB LEU 25 -10.255 4.919 -10.617 169 HB3 LEU 25 2HB LEU 25 -11.650 4.150 -11.372 170 HG LEU 25 HG LEU 25 -10.422 2.875 -8.971 171 HD11 LEU 25 1HD1 LEU 25 -12.492 5.021 -8.683 172 HD12 LEU 25 2HD1 LEU 25 -10.771 5.394 -8.604 173 HD13 LEU 25 3HD1 LEU 25 -11.483 4.273 -7.445 174 HD21 LEU 25 3HD2 LEU 25 -13.331 3.138 -9.334 175 HD22 LEU 25 1HD2 LEU 25 -12.364 1.740 -8.865 176 HD23 LEU 25 2HD2 LEU 25 -12.492 2.193 -10.565 177 H TYR 26 H TYR 26 -8.030 4.779 -12.033 178 HA TYR 26 HA TYR 26 -8.554 4.823 -14.930 179 HB2 TYR 26 1HB TYR 26 -7.673 7.284 -13.451 180 HB3 TYR 26 2HB TYR 26 -8.450 7.159 -15.025 181 HD1 TYR 26 2HD TYR 26 -9.046 6.793 -11.382 182 HD2 TYR 26 1HD TYR 26 -10.792 7.293 -15.230 183 HE1 TYR 26 2HE TYR 26 -11.230 7.208 -10.330 184 HE2 TYR 26 1HE TYR 26 -12.981 7.712 -14.188 185 HH TYR 26 HH TYR 26 -13.496 7.278 -10.758 186 H ASP 27 H ASP 27 -6.729 5.532 -16.236 187 HA ASP 27 HA ASP 27 -4.268 4.377 -15.284 188 HB2 ASP 27 1HB ASP 27 -3.433 4.904 -17.567 189 HB3 ASP 27 2HB ASP 27 -4.927 3.970 -17.579 190 H TYR 28 H TYR 28 -3.148 5.564 -13.858 191 HA TYR 28 HA TYR 28 -2.989 8.445 -14.102 192 HB2 TYR 28 1HB TYR 28 -3.193 7.320 -11.889 193 HB3 TYR 28 2HB TYR 28 -1.598 6.617 -12.134 194 HD1 TYR 28 2HD TYR 28 -3.090 10.034 -12.483 195 HD2 TYR 28 1HD TYR 28 0.040 7.636 -10.885 196 HE1 TYR 28 2HE TYR 28 -2.061 12.041 -11.502 197 HE2 TYR 28 1HE TYR 28 1.077 9.637 -9.899 198 HH TYR 28 HH TYR 28 -0.104 12.149 -9.166 199 H GLN 29 H GLN 29 -0.907 9.569 -14.075 200 HA GLN 29 HA GLN 29 1.430 8.152 -14.991 201 HB2 GLN 29 1HB GLN 29 1.649 9.260 -17.119 202 HB3 GLN 29 2HB GLN 29 0.093 8.442 -17.069 203 HG2 GLN 29 1HG GLN 29 -0.919 10.650 -16.412 204 HG3 GLN 29 2HG GLN 29 0.641 11.381 -16.790 205 HE21 GLN 29 1HE2 GLN 29 0.414 12.436 -18.630 206 HE22 GLN 29 2HE2 GLN 29 -0.309 11.816 -20.071 207 H THR 30 H THR 30 3.314 9.316 -14.725 208 HA THR 30 HA THR 30 3.092 12.114 -13.882 209 HB THR 30 HB THR 30 3.146 11.214 -11.749 210 HG1 THR 30 1HG THR 30 5.107 11.826 -11.000 211 HG21 THR 30 3HG2 THR 30 3.325 8.938 -11.901 212 HG22 THR 30 1HG2 THR 30 4.940 9.312 -11.303 213 HG23 THR 30 2HG2 THR 30 4.685 9.009 -13.021 214 H ASN 31 H ASN 31 5.251 13.176 -13.734 215 HA ASN 31 HA ASN 31 6.981 12.165 -15.881 216 HB2 ASN 31 1HB ASN 31 6.043 14.410 -16.224 217 HB3 ASN 31 2HB ASN 31 6.765 14.948 -14.711 218 HD21 ASN 31 1HD2 ASN 31 7.700 13.354 -17.739 219 HD22 ASN 31 2HD2 ASN 31 9.184 14.217 -17.934 220 H ASP 32 H ASP 32 6.826 12.353 -12.554 221 HA ASP 32 HA ASP 32 9.739 12.520 -12.232 222 HB2 ASP 32 1HB ASP 32 7.484 12.683 -10.226 223 HB3 ASP 32 2HB ASP 32 9.188 12.646 -9.778 224 HA PRO 33 HA PRO 33 10.162 8.192 -11.616 225 HB2 PRO 33 1HB PRO 33 12.293 8.147 -9.936 226 HB3 PRO 33 2HB PRO 33 12.432 8.546 -11.652 227 HG2 PRO 33 1HG PRO 33 12.316 10.376 -9.286 228 HG3 PRO 33 2HG PRO 33 13.362 10.460 -10.715 229 HD2 PRO 33 1HD PRO 33 11.147 11.992 -10.440 230 HD3 PRO 33 2HD PRO 33 11.718 11.415 -12.018 231 H GLN 34 H GLN 34 10.469 10.092 -8.613 232 HA GLN 34 HA GLN 34 10.002 8.174 -6.731 233 HB2 GLN 34 1HB GLN 34 8.909 9.991 -5.373 234 HB3 GLN 34 2HB GLN 34 10.491 10.396 -6.025 235 HG2 GLN 34 1HG GLN 34 9.212 11.491 -7.949 236 HG3 GLN 34 2HG GLN 34 7.799 11.370 -6.902 237 HE21 GLN 34 1HE2 GLN 34 7.685 13.655 -6.909 238 HE22 GLN 34 2HE2 GLN 34 8.736 14.598 -5.915 239 H GLU 35 H GLU 35 7.547 9.947 -8.584 240 HA GLU 35 HA GLU 35 5.383 8.476 -7.375 241 HB2 GLU 35 1HB GLU 35 5.635 10.655 -9.385 242 HB3 GLU 35 2HB GLU 35 4.177 9.675 -9.434 243 HG2 GLU 35 1HG GLU 35 3.495 11.328 -8.034 244 HG3 GLU 35 2HG GLU 35 4.140 10.185 -6.858 245 H LEU 36 H LEU 36 3.973 7.041 -8.464 246 HA LEU 36 HA LEU 36 5.229 5.661 -10.743 247 HB2 LEU 36 1HB LEU 36 5.173 4.256 -8.800 248 HB3 LEU 36 2HB LEU 36 3.466 4.606 -8.540 249 HG LEU 36 HG LEU 36 3.274 3.500 -10.953 250 HD11 LEU 36 1HD1 LEU 36 4.930 2.118 -11.585 251 HD12 LEU 36 2HD1 LEU 36 5.333 1.666 -9.929 252 HD13 LEU 36 3HD1 LEU 36 5.931 3.184 -10.599 253 HD21 LEU 36 3HD2 LEU 36 2.141 1.951 -9.819 254 HD22 LEU 36 1HD2 LEU 36 2.676 2.778 -8.356 255 HD23 LEU 36 2HD2 LEU 36 3.586 1.398 -8.972 256 H ALA 37 H ALA 37 3.959 5.013 -12.477 257 HA ALA 37 HA ALA 37 1.459 6.497 -12.766 258 HB1 ALA 37 3HB ALA 37 3.082 6.801 -14.528 259 HB2 ALA 37 1HB ALA 37 3.155 5.061 -14.804 260 HB3 ALA 37 2HB ALA 37 1.675 5.950 -15.165 261 H LEU 38 H LEU 38 -0.163 5.355 -11.838 262 HA LEU 38 HA LEU 38 -0.391 2.557 -11.798 263 HB2 LEU 38 1HB LEU 38 -2.415 4.756 -11.479 264 HB3 LEU 38 2HB LEU 38 -2.834 3.052 -11.316 265 HG LEU 38 HG LEU 38 -0.794 4.473 -9.607 266 HD11 LEU 38 1HD1 LEU 38 -2.842 5.468 -9.042 267 HD12 LEU 38 2HD1 LEU 38 -2.610 4.191 -7.848 268 HD13 LEU 38 3HD1 LEU 38 -3.722 3.947 -9.195 269 HD21 LEU 38 3HD2 LEU 38 -1.566 1.703 -9.965 270 HD22 LEU 38 1HD2 LEU 38 -1.780 2.239 -8.298 271 HD23 LEU 38 2HD2 LEU 38 -0.205 2.392 -9.077 272 H ARG 39 H ARG 39 -1.969 1.214 -12.888 273 HA ARG 39 HA ARG 39 -2.518 2.141 -15.631 274 HB2 ARG 39 1HB ARG 39 -0.813 0.337 -15.466 275 HB3 ARG 39 2HB ARG 39 -2.022 -0.696 -14.714 276 HG2 ARG 39 1HG ARG 39 -2.037 -1.378 -16.925 277 HG3 ARG 39 2HG ARG 39 -3.405 -0.265 -16.839 278 HD2 ARG 39 1HD ARG 39 -2.096 1.499 -17.818 279 HD3 ARG 39 2HD ARG 39 -0.640 0.508 -17.757 280 HE ARG 39 HE ARG 39 -2.724 -0.711 -19.284 281 HH11 ARG 39 1HH1 ARG 39 -0.173 1.655 -19.383 282 HH12 ARG 39 2HH1 ARG 39 0.044 1.541 -21.098 283 HH21 ARG 39 1HH2 ARG 39 -2.449 -0.870 -21.543 284 HH22 ARG 39 2HH2 ARG 39 -1.252 0.105 -22.326 285 H ARG 40 H ARG 40 -4.552 2.003 -16.389 286 HA ARG 40 HA ARG 40 -6.715 1.676 -14.643 287 HB2 ARG 40 1HB ARG 40 -6.809 2.984 -16.735 288 HB3 ARG 40 2HB ARG 40 -6.714 1.492 -17.660 289 HG2 ARG 40 1HG ARG 40 -8.864 0.867 -17.134 290 HG3 ARG 40 2HG ARG 40 -8.897 1.838 -15.661 291 HD2 ARG 40 1HD ARG 40 -10.302 2.945 -17.201 292 HD3 ARG 40 2HD ARG 40 -8.804 3.873 -17.156 293 HE ARG 40 HE ARG 40 -8.544 2.054 -19.224 294 HH11 ARG 40 1HH1 ARG 40 -10.624 4.720 -18.394 295 HH12 ARG 40 2HH1 ARG 40 -10.942 5.155 -20.041 296 HH21 ARG 40 1HH2 ARG 40 -8.955 2.617 -21.396 297 HH22 ARG 40 2HH2 ARG 40 -9.992 3.957 -21.748 298 H ASN 41 H ASN 41 -7.859 -0.038 -13.990 299 HA ASN 41 HA ASN 41 -8.569 -2.182 -13.723 300 HB2 ASN 41 1HB ASN 41 -7.745 -2.755 -16.562 301 HB3 ASN 41 2HB ASN 41 -9.067 -3.463 -15.639 302 HD21 ASN 41 1HD2 ASN 41 -10.082 -1.039 -14.576 303 HD22 ASN 41 2HD2 ASN 41 -10.821 -0.170 -15.874 304 H GLU 42 H GLU 42 -6.200 -1.811 -12.635 305 HA GLU 42 HA GLU 42 -4.852 -4.354 -13.088 306 HB2 GLU 42 1HB GLU 42 -3.588 -1.664 -13.443 307 HB3 GLU 42 2HB GLU 42 -2.624 -2.993 -12.816 308 HG2 GLU 42 1HG GLU 42 -4.202 -3.338 -15.326 309 HG3 GLU 42 2HG GLU 42 -2.647 -2.509 -15.355 310 H GLU 43 H GLU 43 -4.385 -5.316 -11.218 311 HA GLU 43 HA GLU 43 -4.981 -4.012 -8.743 312 HB2 GLU 43 1HB GLU 43 -3.606 -6.675 -9.067 313 HB3 GLU 43 2HB GLU 43 -4.574 -6.118 -7.709 314 HG2 GLU 43 1HG GLU 43 -6.059 -7.501 -8.744 315 HG3 GLU 43 2HG GLU 43 -6.465 -5.966 -9.509 316 H TYR 44 H TYR 44 -3.431 -4.150 -6.869 317 HA TYR 44 HA TYR 44 -0.617 -4.027 -7.496 318 HB2 TYR 44 1HB TYR 44 -2.153 -1.553 -6.704 319 HB3 TYR 44 2HB TYR 44 -0.411 -1.697 -6.501 320 HD1 TYR 44 1HD TYR 44 -3.131 -1.655 -9.011 321 HD2 TYR 44 2HD TYR 44 1.061 -1.394 -8.333 322 HE1 TYR 44 1HE TYR 44 -2.807 -0.917 -11.335 323 HE2 TYR 44 2HE TYR 44 1.396 -0.654 -10.654 324 HH TYR 44 HH TYR 44 0.033 0.469 -12.444 325 H CYS 45 H CYS 45 0.637 -4.464 -5.749 326 HA CYS 45 HA CYS 45 -0.741 -5.218 -3.311 327 HB2 CYS 45 1HB CYS 45 1.192 -6.486 -4.576 328 HB3 CYS 45 2HB CYS 45 2.226 -5.418 -3.635 329 HG CYS 45 HG CYS 45 0.349 -8.025 -2.617 330 H LEU 46 H LEU 46 -1.093 -3.738 -1.800 331 HA LEU 46 HA LEU 46 0.198 -1.250 -1.642 332 HB2 LEU 46 1HB LEU 46 -2.020 -1.667 -0.720 333 HB3 LEU 46 2HB LEU 46 -1.326 -2.755 0.481 334 HG LEU 46 HG LEU 46 -0.069 -0.786 1.399 335 HD11 LEU 46 1HD1 LEU 46 -1.442 1.399 0.721 336 HD12 LEU 46 2HD1 LEU 46 -1.532 0.527 -0.809 337 HD13 LEU 46 3HD1 LEU 46 0.038 0.904 -0.101 338 HD21 LEU 46 3HD2 LEU 46 -3.008 -1.158 1.465 339 HD22 LEU 46 1HD2 LEU 46 -2.361 0.314 2.189 340 HD23 LEU 46 2HD2 LEU 46 -1.820 -1.263 2.765 341 H LEU 47 H LEU 47 1.967 -0.546 -0.591 342 HA LEU 47 HA LEU 47 3.571 -2.557 0.823 343 HB2 LEU 47 1HB LEU 47 4.313 0.066 -0.458 344 HB3 LEU 47 2HB LEU 47 5.432 -0.913 0.489 345 HG LEU 47 HG LEU 47 4.088 -1.815 -2.058 346 HD11 LEU 47 1HD1 LEU 47 6.964 -1.481 -2.126 347 HD12 LEU 47 2HD1 LEU 47 6.127 0.037 -1.803 348 HD13 LEU 47 3HD1 LEU 47 5.731 -0.899 -3.244 349 HD21 LEU 47 3HD2 LEU 47 4.672 -3.829 -1.285 350 HD22 LEU 47 1HD2 LEU 47 5.683 -3.147 -0.011 351 HD23 LEU 47 2HD2 LEU 47 6.329 -3.341 -1.641 352 H ASP 48 H ASP 48 3.078 0.972 1.047 353 HA ASP 48 HA ASP 48 2.738 0.678 3.945 354 HB2 ASP 48 1HB ASP 48 4.733 2.444 2.540 355 HB3 ASP 48 2HB ASP 48 4.149 2.821 4.159 356 H SER 49 H SER 49 1.484 2.281 4.932 357 HA SER 49 HA SER 49 0.078 4.083 3.071 358 HB2 SER 49 1HB SER 49 -1.932 3.782 4.549 359 HB3 SER 49 2HB SER 49 -1.448 2.322 3.687 360 HG SER 49 HG SER 49 -1.252 2.937 6.411 361 H SER 50 H SER 50 2.321 4.982 4.319 362 HA SER 50 HA SER 50 1.944 6.150 6.848 363 HB2 SER 50 1HB SER 50 4.140 5.838 5.602 364 HB3 SER 50 2HB SER 50 3.711 7.272 4.670 365 HG SER 50 HG SER 50 3.650 8.441 6.619 366 H GLU 51 H GLU 51 1.584 7.522 3.585 367 HA GLU 51 HA GLU 51 0.381 9.928 4.709 368 HB2 GLU 51 1HB GLU 51 1.500 9.151 2.064 369 HB3 GLU 51 2HB GLU 51 0.244 10.381 2.081 370 HG2 GLU 51 1HG GLU 51 2.639 10.599 3.860 371 HG3 GLU 51 2HG GLU 51 2.697 11.122 2.178 372 H ILE 52 H ILE 52 -1.612 10.781 3.618 373 HA ILE 52 HA ILE 52 -3.587 8.632 3.480 374 HB ILE 52 HB ILE 52 -3.976 11.621 3.678 375 HG12 ILE 52 1HG1 ILE 52 -4.637 9.621 5.815 376 HG13 ILE 52 2HG1 ILE 52 -2.992 10.225 5.654 377 HG21 ILE 52 1HG2 ILE 52 -5.903 9.330 3.544 378 HG22 ILE 52 2HG2 ILE 52 -6.334 10.841 4.344 379 HG23 ILE 52 3HG2 ILE 52 -5.906 10.840 2.633 380 HD11 ILE 52 3HD1 ILE 52 -5.225 11.428 6.933 381 HD12 ILE 52 1HD1 ILE 52 -3.555 11.989 6.852 382 HD13 ILE 52 2HD1 ILE 52 -4.705 12.461 5.601 383 H HIS 53 H HIS 53 -2.893 11.655 1.712 384 HA HIS 53 HA HIS 53 -4.517 10.966 -0.512 385 HB2 HIS 53 1HB HIS 53 -2.230 12.933 -0.558 386 HB3 HIS 53 2HB HIS 53 -3.692 12.946 -1.541 387 HD1 HIS 53 1HD HIS 53 -5.946 13.557 -0.235 388 HD2 HIS 53 2HD HIS 53 -2.402 14.321 1.794 389 HE1 HIS 53 1HE HIS 53 -6.565 15.120 1.635 390 HE2 HIS 53 2HE HIS 53 -4.391 15.636 2.797 391 H TRP 54 H TRP 54 -1.089 10.615 0.207 392 HA TRP 54 HA TRP 54 -0.715 9.256 -2.375 393 HB2 TRP 54 1HB TRP 54 1.385 10.351 -0.491 394 HB3 TRP 54 2HB TRP 54 1.679 9.645 -2.078 395 HD1 TRP 54 HD TRP 54 1.236 12.902 -0.460 396 HE1 TRP 54 1HE TRP 54 0.798 14.746 -2.202 397 HE3 TRP 54 3HE TRP 54 0.214 9.962 -4.516 398 HZ2 TRP 54 2HZ TRP 54 0.110 14.930 -4.933 399 HZ3 TRP 54 3HZ TRP 54 -0.325 11.051 -6.656 400 HH2 TRP 54 HH TRP 54 -0.376 13.483 -6.858 401 H TRP 55 H TRP 55 -0.515 7.120 -2.395 402 HA TRP 55 HA TRP 55 0.205 5.762 0.121 403 HB2 TRP 55 1HB TRP 55 -1.867 5.154 -1.939 404 HB3 TRP 55 2HB TRP 55 -1.085 3.803 -1.124 405 HD1 TRP 55 HD TRP 55 -1.347 6.644 1.218 406 HE1 TRP 55 1HE TRP 55 -3.323 6.307 2.833 407 HE3 TRP 55 3HE TRP 55 -3.709 2.797 -1.181 408 HZ2 TRP 55 2HZ TRP 55 -5.583 4.631 3.060 409 HZ3 TRP 55 3HZ TRP 55 -5.772 1.883 -0.199 410 HH2 TRP 55 HH TRP 55 -6.687 2.783 1.878 411 H ARG 56 H ARG 56 1.723 4.157 0.068 412 HA ARG 56 HA ARG 56 3.316 4.000 -2.373 413 HB2 ARG 56 1HB ARG 56 4.290 4.463 -0.050 414 HB3 ARG 56 2HB ARG 56 3.994 2.763 0.288 415 HG2 ARG 56 1HG ARG 56 5.465 2.112 -1.518 416 HG3 ARG 56 2HG ARG 56 5.709 3.804 -1.957 417 HD2 ARG 56 1HD ARG 56 6.978 4.243 -0.065 418 HD3 ARG 56 2HD ARG 56 6.324 2.861 0.814 419 HE ARG 56 HE ARG 56 7.843 2.101 -1.492 420 HH11 ARG 56 1HH1 ARG 56 8.044 3.026 1.858 421 HH12 ARG 56 2HH1 ARG 56 9.553 2.219 2.126 422 HH21 ARG 56 1HH2 ARG 56 9.831 1.035 -1.153 423 HH22 ARG 56 2HH2 ARG 56 10.570 1.088 0.412 424 H VAL 57 H VAL 57 2.786 2.457 -3.770 425 HA VAL 57 HA VAL 57 2.199 -0.231 -2.725 426 HB VAL 57 HB VAL 57 0.514 -0.604 -4.386 427 HG11 VAL 57 1HG1 VAL 57 0.083 0.846 -2.238 428 HG12 VAL 57 2HG1 VAL 57 -0.259 2.107 -3.425 429 HG13 VAL 57 3HG1 VAL 57 -1.186 0.607 -3.438 430 HG21 VAL 57 3HG2 VAL 57 1.538 1.951 -5.511 431 HG22 VAL 57 1HG2 VAL 57 1.067 0.461 -6.329 432 HG23 VAL 57 2HG2 VAL 57 -0.169 1.569 -5.732 433 H GLN 58 H GLN 58 2.409 -1.917 -4.505 434 HA GLN 58 HA GLN 58 4.636 -1.218 -6.301 435 HB2 GLN 58 1HB GLN 58 5.324 -2.589 -4.312 436 HB3 GLN 58 2HB GLN 58 4.280 -3.873 -4.906 437 HG2 GLN 58 1HG GLN 58 5.632 -4.300 -6.740 438 HG3 GLN 58 2HG GLN 58 6.418 -2.724 -6.650 439 HE21 GLN 58 1HE2 GLN 58 7.836 -2.348 -4.805 440 HE22 GLN 58 2HE2 GLN 58 8.731 -3.676 -4.156 441 H ASP 59 H ASP 59 4.745 -2.344 -8.285 442 HA ASP 59 HA ASP 59 2.134 -3.187 -9.258 443 HB2 ASP 59 1HB ASP 59 3.144 -1.667 -10.733 444 HB3 ASP 59 2HB ASP 59 4.724 -2.433 -10.584 445 H ARG 60 H ARG 60 2.095 -5.057 -10.830 446 HA ARG 60 HA ARG 60 2.807 -7.420 -9.518 447 HB2 ARG 60 1HB ARG 60 0.989 -7.406 -11.095 448 HB3 ARG 60 2HB ARG 60 2.061 -6.919 -12.401 449 HG2 ARG 60 1HG ARG 60 3.129 -9.038 -12.429 450 HG3 ARG 60 2HG ARG 60 2.337 -9.525 -10.929 451 HD2 ARG 60 1HD ARG 60 0.333 -9.929 -11.957 452 HD3 ARG 60 2HD ARG 60 0.627 -8.746 -13.232 453 HE ARG 60 HE ARG 60 2.465 -10.756 -13.634 454 HH11 ARG 60 1HH1 ARG 60 -1.004 -10.486 -13.509 455 HH12 ARG 60 2HH1 ARG 60 -1.276 -11.788 -14.619 456 HH21 ARG 60 1HH2 ARG 60 2.120 -12.472 -15.097 457 HH22 ARG 60 2HH2 ARG 60 0.501 -12.918 -15.521 458 H ASN 61 H ASN 61 4.422 -5.621 -12.082 459 HA ASN 61 HA ASN 61 6.406 -7.590 -12.613 460 HB2 ASN 61 1HB ASN 61 6.319 -4.621 -13.182 461 HB3 ASN 61 2HB ASN 61 7.595 -5.691 -13.754 462 HD21 ASN 61 1HD2 ASN 61 7.027 -7.385 -15.216 463 HD22 ASN 61 2HD2 ASN 61 5.650 -7.218 -16.245 464 H GLY 62 H GLY 62 6.364 -4.633 -10.642 465 HA2 GLY 62 1HA GLY 62 7.622 -5.159 -8.443 466 HA3 GLY 62 2HA GLY 62 8.981 -5.389 -9.534 467 H HIS 63 H HIS 63 6.517 -2.949 -10.024 468 HA HIS 63 HA HIS 63 8.547 -0.890 -9.459 469 HB2 HIS 63 1HB HIS 63 6.177 -0.435 -11.248 470 HB3 HIS 63 2HB HIS 63 7.716 0.421 -11.212 471 HD1 HIS 63 1HD HIS 63 6.282 -1.072 -13.704 472 HD2 HIS 63 2HD HIS 63 9.580 -2.361 -11.532 473 HE1 HIS 63 1HE HIS 63 7.521 -2.640 -15.231 474 HE2 HIS 63 2HE HIS 63 9.466 -3.473 -13.865 475 H GLU 64 H GLU 64 8.159 0.344 -7.753 476 HA GLU 64 HA GLU 64 5.362 0.725 -6.903 477 HB2 GLU 64 1HB GLU 64 6.470 1.097 -4.588 478 HB3 GLU 64 2HB GLU 64 6.262 -0.546 -5.178 479 HG2 GLU 64 1HG GLU 64 8.423 -0.479 -4.294 480 HG3 GLU 64 2HG GLU 64 8.638 -0.386 -6.041 481 H GLY 65 H GLY 65 5.205 2.719 -5.383 482 HA2 GLY 65 1HA GLY 65 6.910 4.868 -5.415 483 HA3 GLY 65 2HA GLY 65 6.027 4.985 -6.930 484 H TYR 66 H TYR 66 5.267 7.034 -6.043 485 HA TYR 66 HA TYR 66 3.230 6.749 -3.950 486 HB2 TYR 66 1HB TYR 66 4.657 9.158 -5.075 487 HB3 TYR 66 2HB TYR 66 3.274 9.289 -3.994 488 HD1 TYR 66 1HD TYR 66 3.717 7.287 -1.981 489 HD2 TYR 66 2HD TYR 66 6.560 9.784 -3.925 490 HE1 TYR 66 1HE TYR 66 5.212 7.086 -0.038 491 HE2 TYR 66 2HE TYR 66 8.064 9.589 -1.989 492 HH TYR 66 HH TYR 66 7.165 8.643 0.948 493 H VAL 67 H VAL 67 1.156 6.685 -4.484 494 HA VAL 67 HA VAL 67 0.266 8.013 -6.947 495 HB VAL 67 HB VAL 67 -1.299 6.069 -7.335 496 HG11 VAL 67 1HG1 VAL 67 0.734 4.575 -8.141 497 HG12 VAL 67 2HG1 VAL 67 0.340 6.109 -8.921 498 HG13 VAL 67 3HG1 VAL 67 1.644 6.030 -7.734 499 HG21 VAL 67 3HG2 VAL 67 0.060 3.929 -6.319 500 HG22 VAL 67 1HG2 VAL 67 0.163 5.092 -4.996 501 HG23 VAL 67 2HG2 VAL 67 -1.412 4.614 -5.630 502 HA PRO 68 HA PRO 68 -3.021 9.569 -4.483 503 HB2 PRO 68 1HB PRO 68 -4.961 9.860 -6.360 504 HB3 PRO 68 2HB PRO 68 -3.548 10.918 -6.267 505 HG2 PRO 68 1HG PRO 68 -4.043 8.573 -8.061 506 HG3 PRO 68 2HG PRO 68 -3.337 10.152 -8.453 507 HD2 PRO 68 1HD PRO 68 -1.828 7.940 -8.050 508 HD3 PRO 68 2HD PRO 68 -1.265 9.570 -7.627 509 H SER 69 H SER 69 -3.955 8.257 -3.034 510 HA SER 69 HA SER 69 -4.873 5.710 -3.313 511 HB2 SER 69 1HB SER 69 -6.242 6.077 -1.320 512 HB3 SER 69 2HB SER 69 -4.688 6.893 -1.149 513 HG SER 69 HG SER 69 -7.193 8.051 -1.798 514 H SER 70 H SER 70 -6.586 8.675 -4.102 515 HA SER 70 HA SER 70 -9.169 7.883 -4.392 516 HB2 SER 70 1HB SER 70 -7.568 9.626 -6.278 517 HB3 SER 70 2HB SER 70 -9.327 9.501 -6.294 518 HG SER 70 HG SER 70 -7.663 10.831 -4.546 519 H TYR 71 H TYR 71 -6.553 7.336 -6.725 520 HA TYR 71 HA TYR 71 -8.185 6.007 -8.634 521 HB2 TYR 71 1HB TYR 71 -5.213 6.196 -8.207 522 HB3 TYR 71 2HB TYR 71 -5.890 5.166 -9.463 523 HD1 TYR 71 1HD TYR 71 -6.994 8.539 -8.329 524 HD2 TYR 71 2HD TYR 71 -5.310 6.209 -11.465 525 HE1 TYR 71 1HE TYR 71 -7.133 10.478 -9.836 526 HE2 TYR 71 2HE TYR 71 -5.442 8.141 -12.980 527 HH TYR 71 HH TYR 71 -5.594 10.531 -12.907 528 H LEU 72 H LEU 72 -6.057 4.885 -6.037 529 HA LEU 72 HA LEU 72 -6.356 2.120 -6.597 530 HB2 LEU 72 1HB LEU 72 -5.606 3.499 -4.024 531 HB3 LEU 72 2HB LEU 72 -5.413 1.779 -4.357 532 HG LEU 72 HG LEU 72 -3.965 4.026 -5.757 533 HD11 LEU 72 1HD1 LEU 72 -3.336 2.310 -3.434 534 HD12 LEU 72 2HD1 LEU 72 -2.815 3.952 -3.810 535 HD13 LEU 72 3HD1 LEU 72 -2.042 2.579 -4.603 536 HD21 LEU 72 3HD2 LEU 72 -2.648 1.683 -6.298 537 HD22 LEU 72 1HD2 LEU 72 -3.742 2.524 -7.396 538 HD23 LEU 72 2HD2 LEU 72 -4.344 1.204 -6.393 539 H VAL 73 H VAL 73 -7.712 0.592 -5.732 540 HA VAL 73 HA VAL 73 -9.812 1.499 -3.895 541 HB VAL 73 HB VAL 73 -11.585 0.642 -5.167 542 HG11 VAL 73 1HG1 VAL 73 -11.616 2.022 -7.020 543 HG12 VAL 73 2HG1 VAL 73 -10.343 2.755 -6.042 544 HG13 VAL 73 3HG1 VAL 73 -9.923 1.717 -7.406 545 HG21 VAL 73 3HG2 VAL 73 -9.454 -0.818 -6.672 546 HG22 VAL 73 1HG2 VAL 73 -10.926 -1.439 -5.926 547 HG23 VAL 73 2HG2 VAL 73 -11.019 -0.518 -7.427 548 H GLU 74 H GLU 74 -10.374 0.039 -2.371 549 HA GLU 74 HA GLU 74 -8.739 -2.216 -1.930 550 HB2 GLU 74 1HB GLU 74 -10.221 -0.758 -0.297 551 HB3 GLU 74 2HB GLU 74 -11.421 -1.998 -0.633 552 HG2 GLU 74 1HG GLU 74 -9.414 -3.604 -0.043 553 HG3 GLU 74 2HG GLU 74 -8.856 -2.187 0.844 554 H LYS 75 H LYS 75 -8.770 -3.955 -3.196 555 HA LYS 75 HA LYS 75 -10.787 -4.788 -4.888 556 HB2 LYS 75 1HB LYS 75 -8.436 -5.609 -4.918 557 HB3 LYS 75 2HB LYS 75 -8.789 -6.579 -3.493 558 HG2 LYS 75 1HG LYS 75 -10.018 -8.101 -4.659 559 HG3 LYS 75 2HG LYS 75 -10.526 -6.927 -5.875 560 HD2 LYS 75 1HD LYS 75 -8.008 -6.924 -6.534 561 HD3 LYS 75 2HD LYS 75 -7.965 -8.462 -5.671 562 HE2 LYS 75 1HE LYS 75 -10.032 -9.043 -7.130 563 HE3 LYS 75 2HE LYS 75 -9.469 -7.720 -8.150 564 HZ1 LYS 75 3HZ LYS 75 -7.519 -9.746 -7.349 565 HZ2 LYS 75 1HZ LYS 75 -7.635 -8.868 -8.790 566 HZ3 LYS 75 2HZ LYS 75 -8.665 -10.181 -8.516 567 H SER 76 H SER 76 -12.744 -5.595 -4.560 568 HA SER 76 HA SER 76 -13.330 -6.839 -1.956 569 HB2 SER 76 1HB SER 76 -15.514 -5.875 -3.751 570 HB3 SER 76 2HB SER 76 -15.445 -5.917 -1.990 571 HG SER 76 HG SER 76 -14.802 -3.911 -3.674 572 HA PRO 77 HA PRO 77 -13.566 -10.305 -4.979 573 HB2 PRO 77 1HB PRO 77 -12.599 -12.159 -3.248 574 HB3 PRO 77 2HB PRO 77 -11.554 -11.118 -4.222 575 HG2 PRO 77 1HG PRO 77 -12.370 -10.833 -1.356 576 HG3 PRO 77 2HG PRO 77 -10.775 -10.596 -2.094 577 HD2 PRO 77 1HD PRO 77 -12.412 -8.532 -1.469 578 HD3 PRO 77 2HD PRO 77 -11.301 -8.484 -2.852 579 H ASN 78 H ASN 78 -14.614 -9.994 -1.636 580 HA ASN 78 HA ASN 78 -16.177 -12.189 -1.241 581 HB2 ASN 78 1HB ASN 78 -16.633 -9.314 -0.463 582 HB3 ASN 78 2HB ASN 78 -17.733 -10.593 0.042 583 HD21 ASN 78 1HD2 ASN 78 -14.363 -9.569 0.125 584 HD22 ASN 78 2HD2 ASN 78 -13.975 -10.348 1.617 585 H ASN 79 H ASN 79 -17.052 -9.286 -3.075 586 HA ASN 79 HA ASN 79 -19.176 -10.839 -4.373 587 HB2 ASN 79 1HB ASN 79 -19.443 -8.092 -3.152 588 HB3 ASN 79 2HB ASN 79 -20.568 -8.704 -4.361 589 HD21 ASN 79 1HD2 ASN 79 -20.099 -8.328 -1.156 590 HD22 ASN 79 2HD2 ASN 79 -21.120 -9.585 -0.554 591 H LEU 80 H LEU 80 -18.902 -10.833 -6.497 592 HA LEU 80 HA LEU 80 -17.306 -8.689 -7.711 593 HB2 LEU 80 1HB LEU 80 -16.870 -11.284 -7.911 594 HB3 LEU 80 2HB LEU 80 -18.073 -11.155 -9.192 595 HG LEU 80 HG LEU 80 -15.930 -11.048 -10.211 596 HD11 LEU 80 1HD1 LEU 80 -16.898 -8.204 -10.014 597 HD12 LEU 80 2HD1 LEU 80 -17.680 -9.445 -10.992 598 HD13 LEU 80 3HD1 LEU 80 -16.024 -8.956 -11.348 599 HD21 LEU 80 3HD2 LEU 80 -14.106 -10.071 -9.345 600 HD22 LEU 80 1HD2 LEU 80 -15.033 -10.050 -7.845 601 HD23 LEU 80 2HD2 LEU 80 -14.985 -8.616 -8.872 602 H GLU 81 H GLU 81 -18.482 -7.094 -8.539 603 HA GLU 81 HA GLU 81 -20.913 -7.795 -10.048 604 HB2 GLU 81 1HB GLU 81 -21.794 -5.540 -9.376 605 HB3 GLU 81 2HB GLU 81 -21.649 -6.697 -8.061 606 HG2 GLU 81 1HG GLU 81 -20.763 -4.868 -7.055 607 HG3 GLU 81 2HG GLU 81 -19.299 -5.548 -7.763 608 H THR 82 H THR 82 -18.628 -7.803 -11.421 609 HA THR 82 HA THR 82 -18.912 -5.463 -13.135 610 HB THR 82 HB THR 82 -16.369 -5.319 -13.316 611 HG1 THR 82 1HG THR 82 -15.611 -7.038 -12.208 612 HG21 THR 82 3HG2 THR 82 -17.867 -3.670 -12.145 613 HG22 THR 82 1HG2 THR 82 -16.211 -3.727 -11.544 614 HG23 THR 82 2HG2 THR 82 -17.504 -4.515 -10.640 615 H TYR 83 H TYR 83 -17.518 -5.754 -15.162 616 HA TYR 83 HA TYR 83 -16.993 -8.526 -15.861 617 HB2 TYR 83 1HB TYR 83 -18.996 -6.866 -17.405 618 HB3 TYR 83 2HB TYR 83 -18.437 -8.477 -17.841 619 HD1 TYR 83 1HD TYR 83 -19.012 -10.412 -16.339 620 HD2 TYR 83 2HD TYR 83 -20.762 -6.563 -15.864 621 HE1 TYR 83 1HE TYR 83 -20.822 -11.407 -15.004 622 HE2 TYR 83 2HE TYR 83 -22.577 -7.547 -14.526 623 HH TYR 83 HH TYR 83 -22.623 -11.012 -13.760 624 H GLU 84 H GLU 84 -15.586 -8.770 -17.587 625 HA GLU 84 HA GLU 84 -14.429 -6.266 -18.624 626 HB2 GLU 84 1HB GLU 84 -12.940 -7.552 -17.100 627 HB3 GLU 84 2HB GLU 84 -13.022 -8.910 -18.213 628 HG2 GLU 84 1HG GLU 84 -11.726 -7.869 -19.798 629 HG3 GLU 84 2HG GLU 84 -12.126 -6.253 -19.219 630 H TRP 85 H TRP 85 -15.572 -6.113 -20.518 631 HA TRP 85 HA TRP 85 -15.687 -8.403 -22.312 632 HB2 TRP 85 1HB TRP 85 -17.315 -7.248 -23.510 633 HB3 TRP 85 2HB TRP 85 -17.587 -6.680 -21.865 634 HD1 TRP 85 HD TRP 85 -16.643 -4.165 -21.291 635 HE1 TRP 85 1HE TRP 85 -16.386 -2.114 -22.824 636 HE3 TRP 85 3HE TRP 85 -16.818 -6.515 -25.828 637 HZ2 TRP 85 2HZ TRP 85 -16.272 -1.564 -25.590 638 HZ3 TRP 85 3HZ TRP 85 -16.628 -5.154 -27.869 639 HH2 TRP 85 HH TRP 85 -16.362 -2.730 -27.750 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -35.698 -29.463 -6.885 2 HA2 GLY 1 1HA GLY 1 -35.589 -32.030 -6.118 3 HA3 GLY 1 2HA GLY 1 -36.690 -32.126 -7.485 4 H SER 2 H SER 2 -33.453 -32.053 -6.495 5 HA SER 2 HA SER 2 -32.488 -32.619 -9.098 6 HB2 SER 2 1HB SER 2 -31.016 -30.626 -9.357 7 HB3 SER 2 2HB SER 2 -32.731 -30.229 -9.464 8 HG SER 2 HG SER 2 -32.194 -28.800 -8.005 9 H SER 3 H SER 3 -30.005 -32.634 -9.098 10 HA SER 3 HA SER 3 -29.171 -34.019 -6.708 11 HB2 SER 3 1HB SER 3 -27.832 -33.472 -9.358 12 HB3 SER 3 2HB SER 3 -27.007 -34.290 -8.032 13 HG SER 3 HG SER 3 -28.129 -35.651 -9.639 14 H GLY 4 H GLY 4 -27.926 -31.224 -8.548 15 HA2 GLY 4 1HA GLY 4 -27.367 -29.175 -7.379 16 HA3 GLY 4 2HA GLY 4 -26.891 -30.155 -6.000 17 H SER 5 H SER 5 -26.071 -29.716 -9.441 18 HA SER 5 HA SER 5 -23.679 -30.880 -9.686 19 HB2 SER 5 1HB SER 5 -24.709 -29.493 -11.449 20 HB3 SER 5 2HB SER 5 -24.237 -28.037 -10.572 21 HG SER 5 HG SER 5 -22.079 -28.592 -10.893 22 H SER 6 H SER 6 -21.833 -30.922 -8.603 23 HA SER 6 HA SER 6 -21.161 -28.626 -6.883 24 HB2 SER 6 1HB SER 6 -21.614 -30.787 -5.707 25 HB3 SER 6 2HB SER 6 -20.245 -31.494 -6.565 26 HG SER 6 HG SER 6 -19.498 -30.788 -4.601 27 H GLY 7 H GLY 7 -18.754 -28.412 -6.471 28 HA2 GLY 7 1HA GLY 7 -16.585 -29.219 -7.640 29 HA3 GLY 7 2HA GLY 7 -17.385 -28.578 -9.068 30 H GLU 8 H GLU 8 -14.948 -27.858 -7.254 31 HA GLU 8 HA GLU 8 -15.469 -24.969 -7.353 32 HB2 GLU 8 1HB GLU 8 -14.553 -26.589 -5.024 33 HB3 GLU 8 2HB GLU 8 -13.857 -24.990 -5.241 34 HG2 GLU 8 1HG GLU 8 -15.623 -24.484 -3.900 35 HG3 GLU 8 2HG GLU 8 -16.369 -24.277 -5.484 36 H ASP 9 H ASP 9 -14.010 -23.972 -8.561 37 HA ASP 9 HA ASP 9 -11.743 -25.302 -9.620 38 HB2 ASP 9 1HB ASP 9 -11.239 -23.206 -10.722 39 HB3 ASP 9 2HB ASP 9 -12.976 -23.491 -10.797 40 H ASN 10 H ASN 10 -10.463 -25.983 -7.890 41 HA ASN 10 HA ASN 10 -9.532 -24.257 -5.846 42 HB2 ASN 10 1HB ASN 10 -9.592 -26.765 -5.721 43 HB3 ASN 10 2HB ASN 10 -8.220 -26.800 -6.824 44 HD21 ASN 10 1HD2 ASN 10 -8.839 -27.364 -3.818 45 HD22 ASN 10 2HD2 ASN 10 -7.456 -26.697 -3.025 46 H ARG 11 H ARG 11 -8.823 -22.399 -7.028 47 HA ARG 11 HA ARG 11 -6.161 -22.753 -8.242 48 HB2 ARG 11 1HB ARG 11 -8.479 -21.058 -9.079 49 HB3 ARG 11 2HB ARG 11 -6.847 -20.492 -9.405 50 HG2 ARG 11 1HG ARG 11 -7.719 -23.236 -10.224 51 HG3 ARG 11 2HG ARG 11 -8.074 -21.824 -11.221 52 HD2 ARG 11 1HD ARG 11 -5.798 -21.367 -11.574 53 HD3 ARG 11 2HD ARG 11 -5.296 -22.419 -10.251 54 HE ARG 11 HE ARG 11 -5.471 -24.239 -11.657 55 HH11 ARG 11 1HH1 ARG 11 -6.811 -21.412 -13.184 56 HH12 ARG 11 2HH1 ARG 11 -6.929 -22.152 -14.746 57 HH21 ARG 11 1HH2 ARG 11 -5.621 -25.224 -13.709 58 HH22 ARG 11 2HH2 ARG 11 -6.253 -24.320 -15.043 59 H ARG 12 H ARG 12 -4.583 -21.218 -7.761 60 HA ARG 12 HA ARG 12 -5.084 -19.726 -5.295 61 HB2 ARG 12 1HB ARG 12 -3.101 -21.369 -5.704 62 HB3 ARG 12 2HB ARG 12 -2.390 -20.019 -6.579 63 HG2 ARG 12 1HG ARG 12 -2.428 -18.648 -4.610 64 HG3 ARG 12 2HG ARG 12 -3.317 -19.885 -3.719 65 HD2 ARG 12 1HD ARG 12 -1.042 -20.045 -3.052 66 HD3 ARG 12 2HD ARG 12 -1.370 -21.421 -4.105 67 HE ARG 12 HE ARG 12 -0.346 -19.289 -5.632 68 HH11 ARG 12 1HH1 ARG 12 0.645 -21.630 -3.254 69 HH12 ARG 12 2HH1 ARG 12 2.290 -21.676 -3.794 70 HH21 ARG 12 1HH2 ARG 12 1.817 -19.340 -6.353 71 HH22 ARG 12 2HH2 ARG 12 2.956 -20.372 -5.557 72 HA PRO 13 HA PRO 13 -5.214 -15.859 -7.407 73 HB2 PRO 13 1HB PRO 13 -4.647 -14.237 -5.306 74 HB3 PRO 13 2HB PRO 13 -6.211 -15.035 -5.509 75 HG2 PRO 13 1HG PRO 13 -3.891 -15.824 -3.789 76 HG3 PRO 13 2HG PRO 13 -5.622 -15.828 -3.404 77 HD2 PRO 13 1HD PRO 13 -4.278 -18.076 -4.089 78 HD3 PRO 13 2HD PRO 13 -5.989 -17.826 -4.492 79 H LEU 14 H LEU 14 -3.859 -14.172 -8.137 80 HA LEU 14 HA LEU 14 -1.156 -14.859 -8.502 81 HB2 LEU 14 1HB LEU 14 -2.798 -12.425 -9.043 82 HB3 LEU 14 2HB LEU 14 -1.046 -12.348 -9.223 83 HG LEU 14 HG LEU 14 -1.414 -14.441 -10.757 84 HD11 LEU 14 1HD1 LEU 14 -3.484 -14.669 -11.774 85 HD12 LEU 14 2HD1 LEU 14 -4.034 -13.079 -11.245 86 HD13 LEU 14 3HD1 LEU 14 -3.906 -14.399 -10.083 87 HD21 LEU 14 3HD2 LEU 14 -0.693 -12.942 -12.223 88 HD22 LEU 14 1HD2 LEU 14 -1.241 -11.633 -11.175 89 HD23 LEU 14 2HD2 LEU 14 -2.333 -12.311 -12.383 90 H TRP 15 H TRP 15 -2.764 -12.717 -6.226 91 HA TRP 15 HA TRP 15 -0.158 -12.156 -4.973 92 HB2 TRP 15 1HB TRP 15 -2.664 -10.610 -4.376 93 HB3 TRP 15 2HB TRP 15 -0.985 -10.109 -4.197 94 HD1 TRP 15 HD TRP 15 -3.256 -11.134 -7.190 95 HE1 TRP 15 1HE TRP 15 -2.766 -9.516 -9.131 96 HE3 TRP 15 3HE TRP 15 0.358 -8.276 -4.974 97 HZ2 TRP 15 2HZ TRP 15 -1.072 -7.320 -9.654 98 HZ3 TRP 15 3HZ TRP 15 1.363 -6.437 -6.263 99 HH2 TRP 15 HH TRP 15 0.662 -5.971 -8.555 100 H GLU 16 H GLU 16 -0.427 -11.721 -2.520 101 HA GLU 16 HA GLU 16 -1.446 -14.142 -1.364 102 HB2 GLU 16 1HB GLU 16 0.010 -11.745 -0.295 103 HB3 GLU 16 2HB GLU 16 -0.691 -12.924 0.804 104 HG2 GLU 16 1HG GLU 16 0.659 -14.680 -0.156 105 HG3 GLU 16 2HG GLU 16 1.304 -13.562 -1.356 106 HA PRO 17 HA PRO 17 -5.450 -12.751 -0.189 107 HB2 PRO 17 1HB PRO 17 -5.899 -14.417 1.907 108 HB3 PRO 17 2HB PRO 17 -5.933 -14.959 0.224 109 HG2 PRO 17 1HG PRO 17 -3.739 -15.196 2.247 110 HG3 PRO 17 2HG PRO 17 -4.321 -16.399 1.081 111 HD2 PRO 17 1HD PRO 17 -2.085 -14.930 0.664 112 HD3 PRO 17 2HD PRO 17 -3.135 -15.469 -0.663 113 H GLU 18 H GLU 18 -2.986 -13.078 2.334 114 HA GLU 18 HA GLU 18 -4.382 -11.423 4.211 115 HB2 GLU 18 1HB GLU 18 -2.144 -11.457 5.412 116 HB3 GLU 18 2HB GLU 18 -2.914 -13.016 5.155 117 HG2 GLU 18 1HG GLU 18 -0.977 -12.073 3.118 118 HG3 GLU 18 2HG GLU 18 -0.350 -12.618 4.673 119 H GLU 19 H GLU 19 -2.550 -10.802 1.448 120 HA GLU 19 HA GLU 19 -1.508 -8.247 2.331 121 HB2 GLU 19 1HB GLU 19 -1.374 -9.834 -0.204 122 HB3 GLU 19 2HB GLU 19 -0.995 -8.118 -0.241 123 HG2 GLU 19 1HG GLU 19 0.390 -10.263 1.345 124 HG3 GLU 19 2HG GLU 19 1.040 -9.325 0.001 125 H THR 20 H THR 20 -2.195 -6.231 1.635 126 HA THR 20 HA THR 20 -5.002 -6.069 0.958 127 HB THR 20 HB THR 20 -3.001 -3.856 1.455 128 HG1 THR 20 1HG THR 20 -4.367 -3.808 3.480 129 HG21 THR 20 3HG2 THR 20 -5.684 -3.811 0.445 130 HG22 THR 20 1HG2 THR 20 -4.587 -2.463 0.743 131 HG23 THR 20 2HG2 THR 20 -5.638 -3.046 2.033 132 H VAL 21 H VAL 21 -5.386 -6.527 -1.147 133 HA VAL 21 HA VAL 21 -3.692 -5.393 -3.226 134 HB VAL 21 HB VAL 21 -6.052 -7.270 -3.352 135 HG11 VAL 21 1HG1 VAL 21 -4.765 -7.326 -5.809 136 HG12 VAL 21 2HG1 VAL 21 -6.338 -6.606 -5.460 137 HG13 VAL 21 3HG1 VAL 21 -4.882 -5.611 -5.417 138 HG21 VAL 21 3HG2 VAL 21 -4.129 -8.710 -4.372 139 HG22 VAL 21 1HG2 VAL 21 -3.086 -7.578 -3.511 140 HG23 VAL 21 2HG2 VAL 21 -4.269 -8.539 -2.623 141 H VAL 22 H VAL 22 -4.200 -3.686 -4.461 142 HA VAL 22 HA VAL 22 -6.926 -2.586 -4.259 143 HB VAL 22 HB VAL 22 -5.729 -0.313 -4.608 144 HG11 VAL 22 1HG1 VAL 22 -5.472 -1.680 -1.933 145 HG12 VAL 22 2HG1 VAL 22 -5.639 0.050 -2.235 146 HG13 VAL 22 3HG1 VAL 22 -6.980 -1.041 -2.586 147 HG21 VAL 22 3HG2 VAL 22 -3.504 -1.262 -5.025 148 HG22 VAL 22 1HG2 VAL 22 -3.501 -0.170 -3.640 149 HG23 VAL 22 2HG2 VAL 22 -3.481 -1.916 -3.388 150 H ILE 23 H ILE 23 -7.795 -1.680 -6.105 151 HA ILE 23 HA ILE 23 -6.259 -2.142 -8.577 152 HB ILE 23 HB ILE 23 -9.264 -2.089 -8.296 153 HG12 ILE 23 1HG1 ILE 23 -7.676 -4.567 -8.859 154 HG13 ILE 23 2HG1 ILE 23 -7.874 -4.025 -7.196 155 HG21 ILE 23 1HG2 ILE 23 -7.705 -3.218 -10.590 156 HG22 ILE 23 2HG2 ILE 23 -9.388 -2.697 -10.537 157 HG23 ILE 23 3HG2 ILE 23 -8.094 -1.500 -10.514 158 HD11 ILE 23 3HD1 ILE 23 -9.712 -5.428 -8.901 159 HD12 ILE 23 1HD1 ILE 23 -9.786 -5.134 -7.164 160 HD13 ILE 23 2HD1 ILE 23 -10.429 -3.938 -8.290 161 H ALA 24 H ALA 24 -6.259 -0.587 -10.181 162 HA ALA 24 HA ALA 24 -6.886 2.108 -9.281 163 HB1 ALA 24 3HB ALA 24 -5.365 1.050 -11.652 164 HB2 ALA 24 1HB ALA 24 -5.699 2.763 -11.403 165 HB3 ALA 24 2HB ALA 24 -4.726 1.875 -10.230 166 H LEU 25 H LEU 25 -8.593 3.252 -9.930 167 HA LEU 25 HA LEU 25 -10.599 2.068 -11.569 168 HB2 LEU 25 1HB LEU 25 -10.373 4.923 -10.630 169 HB3 LEU 25 2HB LEU 25 -11.826 4.131 -11.236 170 HG LEU 25 HG LEU 25 -10.460 3.067 -8.797 171 HD11 LEU 25 1HD1 LEU 25 -12.641 4.964 -8.319 172 HD12 LEU 25 2HD1 LEU 25 -11.142 5.696 -8.889 173 HD13 LEU 25 3HD1 LEU 25 -11.140 4.706 -7.429 174 HD21 LEU 25 3HD2 LEU 25 -12.169 1.657 -9.481 175 HD22 LEU 25 1HD2 LEU 25 -13.198 2.991 -10.004 176 HD23 LEU 25 2HD2 LEU 25 -12.965 2.679 -8.284 177 H TYR 26 H TYR 26 -8.130 4.520 -12.071 178 HA TYR 26 HA TYR 26 -8.806 4.509 -14.938 179 HB2 TYR 26 1HB TYR 26 -7.609 6.902 -13.562 180 HB3 TYR 26 2HB TYR 26 -8.411 6.823 -15.127 181 HD1 TYR 26 2HD TYR 26 -8.953 6.789 -11.477 182 HD2 TYR 26 1HD TYR 26 -10.779 7.033 -15.312 183 HE1 TYR 26 2HE TYR 26 -11.068 7.466 -10.420 184 HE2 TYR 26 1HE TYR 26 -12.899 7.712 -14.266 185 HH TYR 26 HH TYR 26 -13.120 8.671 -11.016 186 H ASP 27 H ASP 27 -6.836 5.561 -16.179 187 HA ASP 27 HA ASP 27 -4.503 3.975 -15.405 188 HB2 ASP 27 1HB ASP 27 -3.753 4.244 -17.694 189 HB3 ASP 27 2HB ASP 27 -5.433 3.715 -17.693 190 H TYR 28 H TYR 28 -3.117 5.021 -14.130 191 HA TYR 28 HA TYR 28 -2.740 7.895 -14.417 192 HB2 TYR 28 1HB TYR 28 -3.009 6.996 -12.160 193 HB3 TYR 28 2HB TYR 28 -1.619 5.942 -12.396 194 HD1 TYR 28 2HD TYR 28 -2.617 9.519 -12.243 195 HD2 TYR 28 1HD TYR 28 0.540 6.690 -11.883 196 HE1 TYR 28 2HE TYR 28 -1.139 11.287 -11.384 197 HE2 TYR 28 1HE TYR 28 2.027 8.450 -11.021 198 HH TYR 28 HH TYR 28 2.277 10.676 -10.741 199 H GLN 29 H GLN 29 -0.900 8.865 -15.121 200 HA GLN 29 HA GLN 29 1.333 7.126 -15.924 201 HB2 GLN 29 1HB GLN 29 -0.195 9.110 -17.540 202 HB3 GLN 29 2HB GLN 29 1.534 8.971 -17.825 203 HG2 GLN 29 1HG GLN 29 1.296 6.620 -18.333 204 HG3 GLN 29 2HG GLN 29 -0.425 6.690 -17.956 205 HE21 GLN 29 1HE2 GLN 29 -1.404 6.346 -19.834 206 HE22 GLN 29 2HE2 GLN 29 -1.120 7.233 -21.290 207 H THR 30 H THR 30 3.365 7.909 -15.585 208 HA THR 30 HA THR 30 3.799 10.683 -14.891 209 HB THR 30 HB THR 30 3.102 9.841 -12.727 210 HG1 THR 30 1HG THR 30 4.812 10.659 -11.658 211 HG21 THR 30 3HG2 THR 30 3.464 7.496 -12.918 212 HG22 THR 30 1HG2 THR 30 4.507 8.064 -11.615 213 HG23 THR 30 2HG2 THR 30 5.189 7.720 -13.205 214 H ASN 31 H ASN 31 6.014 11.270 -14.847 215 HA ASN 31 HA ASN 31 7.811 9.225 -15.976 216 HB2 ASN 31 1HB ASN 31 7.337 12.072 -16.719 217 HB3 ASN 31 2HB ASN 31 8.978 11.450 -16.862 218 HD21 ASN 31 1HD2 ASN 31 5.644 10.572 -17.685 219 HD22 ASN 31 2HD2 ASN 31 6.022 9.900 -19.231 220 H ASP 32 H ASP 32 7.379 9.916 -13.160 221 HA ASP 32 HA ASP 32 10.057 10.959 -12.505 222 HB2 ASP 32 1HB ASP 32 7.445 11.160 -11.014 223 HB3 ASP 32 2HB ASP 32 8.995 11.442 -10.226 224 HA PRO 33 HA PRO 33 11.050 7.016 -10.825 225 HB2 PRO 33 1HB PRO 33 13.008 7.760 -9.098 226 HB3 PRO 33 2HB PRO 33 13.236 7.723 -10.850 227 HG2 PRO 33 1HG PRO 33 12.640 10.052 -9.066 228 HG3 PRO 33 2HG PRO 33 13.785 9.941 -10.416 229 HD2 PRO 33 1HD PRO 33 11.350 11.100 -10.661 230 HD3 PRO 33 2HD PRO 33 12.138 10.242 -12.000 231 H GLN 34 H GLN 34 10.235 9.695 -8.707 232 HA GLN 34 HA GLN 34 9.929 8.053 -6.368 233 HB2 GLN 34 1HB GLN 34 9.091 10.069 -5.298 234 HB3 GLN 34 2HB GLN 34 10.552 10.432 -6.208 235 HG2 GLN 34 1HG GLN 34 9.082 11.241 -8.066 236 HG3 GLN 34 2HG GLN 34 7.715 11.068 -6.966 237 HE21 GLN 34 1HE2 GLN 34 7.911 12.244 -4.886 238 HE22 GLN 34 2HE2 GLN 34 8.650 13.806 -4.911 239 H GLU 35 H GLU 35 7.824 9.387 -8.849 240 HA GLU 35 HA GLU 35 5.451 8.343 -7.523 241 HB2 GLU 35 1HB GLU 35 5.873 9.988 -10.012 242 HB3 GLU 35 2HB GLU 35 4.303 9.325 -9.581 243 HG2 GLU 35 1HG GLU 35 4.075 10.696 -7.742 244 HG3 GLU 35 2HG GLU 35 5.811 10.970 -7.603 245 H LEU 36 H LEU 36 4.238 6.642 -8.238 246 HA LEU 36 HA LEU 36 5.510 4.926 -10.247 247 HB2 LEU 36 1HB LEU 36 5.166 3.923 -8.066 248 HB3 LEU 36 2HB LEU 36 3.448 4.312 -8.135 249 HG LEU 36 HG LEU 36 3.247 2.759 -10.078 250 HD11 LEU 36 1HD1 LEU 36 5.441 2.677 -10.942 251 HD12 LEU 36 2HD1 LEU 36 5.121 1.076 -10.275 252 HD13 LEU 36 3HD1 LEU 36 6.121 2.220 -9.380 253 HD21 LEU 36 3HD2 LEU 36 2.471 1.586 -8.333 254 HD22 LEU 36 1HD2 LEU 36 3.821 2.048 -7.297 255 HD23 LEU 36 2HD2 LEU 36 4.002 0.715 -8.438 256 H ALA 37 H ALA 37 4.296 3.951 -11.906 257 HA ALA 37 HA ALA 37 1.946 5.513 -12.698 258 HB1 ALA 37 3HB ALA 37 2.929 3.611 -14.662 259 HB2 ALA 37 1HB ALA 37 2.679 5.352 -14.796 260 HB3 ALA 37 2HB ALA 37 4.180 4.727 -14.112 261 H LEU 38 H LEU 38 -0.022 4.685 -12.499 262 HA LEU 38 HA LEU 38 -0.332 1.855 -11.884 263 HB2 LEU 38 1HB LEU 38 -2.297 4.140 -11.852 264 HB3 LEU 38 2HB LEU 38 -2.681 2.482 -11.394 265 HG LEU 38 HG LEU 38 -0.848 4.402 -9.969 266 HD11 LEU 38 1HD1 LEU 38 -2.414 4.088 -8.126 267 HD12 LEU 38 2HD1 LEU 38 -3.388 3.013 -9.128 268 HD13 LEU 38 3HD1 LEU 38 -3.231 4.716 -9.556 269 HD21 LEU 38 3HD2 LEU 38 -0.569 2.542 -8.327 270 HD22 LEU 38 1HD2 LEU 38 0.220 2.266 -9.881 271 HD23 LEU 38 2HD2 LEU 38 -1.304 1.459 -9.510 272 H ARG 39 H ARG 39 -2.563 0.971 -12.804 273 HA ARG 39 HA ARG 39 -2.809 1.644 -15.644 274 HB2 ARG 39 1HB ARG 39 -1.232 -0.225 -15.530 275 HB3 ARG 39 2HB ARG 39 -2.385 -1.154 -14.582 276 HG2 ARG 39 1HG ARG 39 -2.462 -1.944 -16.826 277 HG3 ARG 39 2HG ARG 39 -3.953 -1.053 -16.513 278 HD2 ARG 39 1HD ARG 39 -3.158 0.845 -17.718 279 HD3 ARG 39 2HD ARG 39 -1.537 0.162 -17.838 280 HE ARG 39 HE ARG 39 -3.802 -0.439 -19.506 281 HH11 ARG 39 1HH1 ARG 39 -0.742 -1.582 -18.304 282 HH12 ARG 39 2HH1 ARG 39 -0.475 -2.661 -19.633 283 HH21 ARG 39 1HH2 ARG 39 -3.463 -1.856 -21.260 284 HH22 ARG 39 2HH2 ARG 39 -2.023 -2.816 -21.314 285 H ARG 40 H ARG 40 -4.845 1.467 -16.451 286 HA ARG 40 HA ARG 40 -7.010 1.346 -14.637 287 HB2 ARG 40 1HB ARG 40 -7.055 2.659 -16.727 288 HB3 ARG 40 2HB ARG 40 -7.050 1.164 -17.654 289 HG2 ARG 40 1HG ARG 40 -9.209 0.556 -16.767 290 HG3 ARG 40 2HG ARG 40 -9.206 1.972 -15.714 291 HD2 ARG 40 1HD ARG 40 -10.470 2.767 -17.445 292 HD3 ARG 40 2HD ARG 40 -8.864 3.245 -17.995 293 HE ARG 40 HE ARG 40 -9.465 0.675 -18.971 294 HH11 ARG 40 1HH1 ARG 40 -10.371 4.008 -19.403 295 HH12 ARG 40 2HH1 ARG 40 -10.825 3.806 -21.063 296 HH21 ARG 40 1HH2 ARG 40 -10.060 0.396 -21.156 297 HH22 ARG 40 2HH2 ARG 40 -10.649 1.750 -22.058 298 H ASN 41 H ASN 41 -8.010 -0.362 -13.816 299 HA ASN 41 HA ASN 41 -8.928 -2.441 -13.605 300 HB2 ASN 41 1HB ASN 41 -8.110 -3.058 -16.439 301 HB3 ASN 41 2HB ASN 41 -9.443 -3.742 -15.514 302 HD21 ASN 41 1HD2 ASN 41 -9.512 -2.502 -18.115 303 HD22 ASN 41 2HD2 ASN 41 -10.584 -1.153 -17.993 304 H GLU 42 H GLU 42 -6.426 -2.043 -12.639 305 HA GLU 42 HA GLU 42 -5.223 -4.687 -13.006 306 HB2 GLU 42 1HB GLU 42 -3.887 -2.049 -13.426 307 HB3 GLU 42 2HB GLU 42 -2.955 -3.358 -12.713 308 HG2 GLU 42 1HG GLU 42 -4.374 -3.446 -15.365 309 HG3 GLU 42 2HG GLU 42 -2.640 -3.246 -15.121 310 H GLU 43 H GLU 43 -4.373 -5.577 -11.170 311 HA GLU 43 HA GLU 43 -5.082 -4.278 -8.681 312 HB2 GLU 43 1HB GLU 43 -4.101 -7.021 -9.418 313 HB3 GLU 43 2HB GLU 43 -4.126 -6.495 -7.741 314 HG2 GLU 43 1HG GLU 43 -6.496 -6.184 -7.805 315 HG3 GLU 43 2HG GLU 43 -6.535 -6.487 -9.541 316 H TYR 44 H TYR 44 -3.623 -3.957 -6.932 317 HA TYR 44 HA TYR 44 -0.774 -4.097 -7.461 318 HB2 TYR 44 1HB TYR 44 -2.196 -1.470 -7.000 319 HB3 TYR 44 2HB TYR 44 -0.453 -1.680 -6.872 320 HD1 TYR 44 1HD TYR 44 -3.304 -1.961 -9.238 321 HD2 TYR 44 2HD TYR 44 0.908 -1.563 -8.782 322 HE1 TYR 44 1HE TYR 44 -3.086 -1.556 -11.654 323 HE2 TYR 44 2HE TYR 44 1.137 -1.156 -11.196 324 HH TYR 44 HH TYR 44 -0.960 -1.929 -13.398 325 H CYS 45 H CYS 45 0.268 -4.658 -5.665 326 HA CYS 45 HA CYS 45 -1.142 -4.937 -3.197 327 HB2 CYS 45 1HB CYS 45 0.841 -6.344 -4.214 328 HB3 CYS 45 2HB CYS 45 1.836 -5.169 -3.364 329 HG CYS 45 HG CYS 45 0.092 -5.811 -0.968 330 H LEU 46 H LEU 46 -1.050 -3.732 -1.371 331 HA LEU 46 HA LEU 46 0.116 -1.082 -1.608 332 HB2 LEU 46 1HB LEU 46 -2.119 -1.166 -0.788 333 HB3 LEU 46 2HB LEU 46 -1.688 -2.364 0.431 334 HG LEU 46 HG LEU 46 -0.269 -0.595 1.519 335 HD11 LEU 46 1HD1 LEU 46 -0.557 1.688 0.937 336 HD12 LEU 46 2HD1 LEU 46 -1.815 1.300 -0.235 337 HD13 LEU 46 3HD1 LEU 46 -0.145 0.828 -0.546 338 HD21 LEU 46 3HD2 LEU 46 -2.073 0.320 2.720 339 HD22 LEU 46 1HD2 LEU 46 -2.635 -1.258 2.167 340 HD23 LEU 46 2HD2 LEU 46 -3.160 0.206 1.335 341 H LEU 47 H LEU 47 2.206 -0.904 -1.117 342 HA LEU 47 HA LEU 47 3.584 -2.663 0.634 343 HB2 LEU 47 1HB LEU 47 4.394 0.050 -0.403 344 HB3 LEU 47 2HB LEU 47 5.466 -1.114 0.371 345 HG LEU 47 HG LEU 47 4.026 -1.610 -2.232 346 HD11 LEU 47 1HD1 LEU 47 6.919 -1.293 -2.318 347 HD12 LEU 47 2HD1 LEU 47 6.073 0.181 -1.848 348 HD13 LEU 47 3HD1 LEU 47 5.670 -0.620 -3.367 349 HD21 LEU 47 3HD2 LEU 47 4.951 -3.654 -2.246 350 HD22 LEU 47 1HD2 LEU 47 5.089 -3.421 -0.503 351 HD23 LEU 47 2HD2 LEU 47 6.468 -3.083 -1.549 352 H ASP 48 H ASP 48 3.219 0.867 0.976 353 HA ASP 48 HA ASP 48 2.770 0.459 3.855 354 HB2 ASP 48 1HB ASP 48 5.130 1.323 3.048 355 HB3 ASP 48 2HB ASP 48 4.281 2.860 2.914 356 H SER 49 H SER 49 1.715 2.297 4.925 357 HA SER 49 HA SER 49 0.065 3.890 3.079 358 HB2 SER 49 1HB SER 49 -1.875 3.557 4.511 359 HB3 SER 49 2HB SER 49 -1.239 1.990 4.012 360 HG SER 49 HG SER 49 0.010 2.302 6.151 361 H SER 50 H SER 50 2.482 4.654 4.429 362 HA SER 50 HA SER 50 2.265 5.989 6.804 363 HB2 SER 50 1HB SER 50 4.006 7.545 5.937 364 HB3 SER 50 2HB SER 50 4.375 5.852 5.610 365 HG SER 50 HG SER 50 4.255 6.241 3.547 366 H GLU 51 H GLU 51 1.300 7.169 3.605 367 HA GLU 51 HA GLU 51 0.010 9.474 4.899 368 HB2 GLU 51 1HB GLU 51 1.222 9.035 2.216 369 HB3 GLU 51 2HB GLU 51 -0.154 10.126 2.317 370 HG2 GLU 51 1HG GLU 51 1.061 11.402 4.067 371 HG3 GLU 51 2HG GLU 51 2.460 10.367 3.785 372 H ILE 52 H ILE 52 -1.912 10.221 3.278 373 HA ILE 52 HA ILE 52 -3.701 7.887 3.129 374 HB ILE 52 HB ILE 52 -4.411 10.796 3.523 375 HG12 ILE 52 1HG1 ILE 52 -4.682 8.459 5.424 376 HG13 ILE 52 2HG1 ILE 52 -3.385 9.647 5.490 377 HG21 ILE 52 1HG2 ILE 52 -6.659 10.220 3.520 378 HG22 ILE 52 2HG2 ILE 52 -6.004 9.258 2.196 379 HG23 ILE 52 3HG2 ILE 52 -6.323 8.506 3.759 380 HD11 ILE 52 3HD1 ILE 52 -4.744 10.611 6.994 381 HD12 ILE 52 1HD1 ILE 52 -5.506 11.284 5.553 382 HD13 ILE 52 2HD1 ILE 52 -6.194 9.858 6.330 383 H HIS 53 H HIS 53 -3.214 11.076 1.603 384 HA HIS 53 HA HIS 53 -4.697 10.420 -0.728 385 HB2 HIS 53 1HB HIS 53 -2.574 12.541 -0.690 386 HB3 HIS 53 2HB HIS 53 -4.127 12.542 -1.520 387 HD1 HIS 53 1HD HIS 53 -6.238 13.095 -0.068 388 HD2 HIS 53 2HD HIS 53 -2.603 13.533 1.894 389 HE1 HIS 53 1HE HIS 53 -6.751 14.415 2.010 390 HE2 HIS 53 2HE HIS 53 -4.523 14.741 3.138 391 H TRP 54 H TRP 54 -1.281 10.287 0.109 392 HA TRP 54 HA TRP 54 -0.745 9.042 -2.508 393 HB2 TRP 54 1HB TRP 54 1.251 10.393 -0.680 394 HB3 TRP 54 2HB TRP 54 1.554 9.782 -2.304 395 HD1 TRP 54 HD TRP 54 0.519 12.858 -0.486 396 HE1 TRP 54 1HE TRP 54 -0.147 14.696 -2.159 397 HE3 TRP 54 3HE TRP 54 0.285 10.036 -4.742 398 HZ2 TRP 54 2HZ TRP 54 -0.700 14.921 -4.918 399 HZ3 TRP 54 3HZ TRP 54 -0.320 11.139 -6.857 400 HH2 TRP 54 HH TRP 54 -0.802 13.531 -6.940 401 H TRP 55 H TRP 55 -0.792 6.900 -2.270 402 HA TRP 55 HA TRP 55 0.369 5.716 0.155 403 HB2 TRP 55 1HB TRP 55 -1.746 4.854 -1.764 404 HB3 TRP 55 2HB TRP 55 -0.793 3.605 -0.968 405 HD1 TRP 55 HD TRP 55 -1.073 6.354 1.415 406 HE1 TRP 55 1HE TRP 55 -2.956 5.924 3.116 407 HE3 TRP 55 3HE TRP 55 -3.468 2.521 -0.975 408 HZ2 TRP 55 2HZ TRP 55 -5.164 4.189 3.408 409 HZ3 TRP 55 3HZ TRP 55 -5.458 1.532 0.083 410 HH2 TRP 55 HH TRP 55 -6.286 2.350 2.229 411 H ARG 56 H ARG 56 1.696 3.798 -0.063 412 HA ARG 56 HA ARG 56 3.353 3.917 -2.486 413 HB2 ARG 56 1HB ARG 56 4.300 4.258 -0.101 414 HB3 ARG 56 2HB ARG 56 4.123 2.516 0.059 415 HG2 ARG 56 1HG ARG 56 5.537 2.269 -1.990 416 HG3 ARG 56 2HG ARG 56 5.834 4.007 -1.913 417 HD2 ARG 56 1HD ARG 56 6.894 3.802 0.219 418 HD3 ARG 56 2HD ARG 56 6.411 2.111 0.354 419 HE ARG 56 HE ARG 56 7.923 2.240 -1.927 420 HH11 ARG 56 1HH1 ARG 56 8.403 3.029 1.429 421 HH12 ARG 56 2HH1 ARG 56 10.104 2.699 1.399 422 HH21 ARG 56 1HH2 ARG 56 10.161 1.801 -1.980 423 HH22 ARG 56 2HH2 ARG 56 11.102 2.001 -0.541 424 H VAL 57 H VAL 57 3.100 2.363 -3.936 425 HA VAL 57 HA VAL 57 2.355 -0.332 -3.012 426 HB VAL 57 HB VAL 57 0.953 -0.643 -4.979 427 HG11 VAL 57 1HG1 VAL 57 -0.209 1.871 -4.020 428 HG12 VAL 57 2HG1 VAL 57 -0.853 0.229 -3.971 429 HG13 VAL 57 3HG1 VAL 57 0.296 0.764 -2.744 430 HG21 VAL 57 3HG2 VAL 57 1.147 2.274 -5.617 431 HG22 VAL 57 1HG2 VAL 57 2.315 1.135 -6.287 432 HG23 VAL 57 2HG2 VAL 57 0.596 0.941 -6.633 433 H GLN 58 H GLN 58 2.619 -1.901 -5.018 434 HA GLN 58 HA GLN 58 5.094 -1.242 -6.452 435 HB2 GLN 58 1HB GLN 58 5.763 -2.551 -4.516 436 HB3 GLN 58 2HB GLN 58 4.573 -3.786 -4.905 437 HG2 GLN 58 1HG GLN 58 5.765 -4.361 -6.919 438 HG3 GLN 58 2HG GLN 58 6.911 -3.048 -6.650 439 HE21 GLN 58 1HE2 GLN 58 8.489 -3.264 -5.084 440 HE22 GLN 58 2HE2 GLN 58 8.868 -4.780 -4.349 441 H ASP 59 H ASP 59 4.603 -1.341 -8.536 442 HA ASP 59 HA ASP 59 2.378 -2.626 -9.635 443 HB2 ASP 59 1HB ASP 59 4.968 -1.769 -10.941 444 HB3 ASP 59 2HB ASP 59 3.538 -2.290 -11.827 445 H ARG 60 H ARG 60 2.152 -4.519 -10.858 446 HA ARG 60 HA ARG 60 3.271 -6.825 -9.867 447 HB2 ARG 60 1HB ARG 60 2.273 -7.982 -11.675 448 HB3 ARG 60 2HB ARG 60 1.241 -6.591 -11.371 449 HG2 ARG 60 1HG ARG 60 3.388 -6.305 -13.398 450 HG3 ARG 60 2HG ARG 60 1.979 -7.285 -13.808 451 HD2 ARG 60 1HD ARG 60 0.501 -5.455 -13.436 452 HD3 ARG 60 2HD ARG 60 1.787 -4.486 -12.717 453 HE ARG 60 HE ARG 60 2.743 -4.894 -15.175 454 HH11 ARG 60 1HH1 ARG 60 -0.411 -3.913 -14.076 455 HH12 ARG 60 2HH1 ARG 60 -0.756 -2.975 -15.492 456 HH21 ARG 60 1HH2 ARG 60 2.301 -3.662 -17.043 457 HH22 ARG 60 2HH2 ARG 60 0.787 -2.834 -17.179 458 H ASN 61 H ASN 61 4.687 -4.553 -11.988 459 HA ASN 61 HA ASN 61 6.575 -6.353 -13.200 460 HB2 ASN 61 1HB ASN 61 6.271 -3.356 -13.154 461 HB3 ASN 61 2HB ASN 61 7.682 -4.126 -13.875 462 HD21 ASN 61 1HD2 ASN 61 5.976 -2.538 -15.339 463 HD22 ASN 61 2HD2 ASN 61 5.134 -3.514 -16.489 464 H GLY 62 H GLY 62 6.750 -3.812 -10.711 465 HA2 GLY 62 1HA GLY 62 8.130 -4.685 -8.729 466 HA3 GLY 62 2HA GLY 62 9.395 -4.856 -9.938 467 H HIS 63 H HIS 63 7.120 -2.207 -9.986 468 HA HIS 63 HA HIS 63 9.293 -0.397 -9.154 469 HB2 HIS 63 1HB HIS 63 7.112 0.556 -10.958 470 HB3 HIS 63 2HB HIS 63 8.782 1.100 -10.836 471 HD1 HIS 63 1HD HIS 63 7.173 0.167 -13.474 472 HD2 HIS 63 2HD HIS 63 10.074 -1.967 -11.403 473 HE1 HIS 63 1HE HIS 63 8.123 -1.464 -15.136 474 HE2 HIS 63 2HE HIS 63 9.816 -2.801 -13.837 475 H GLU 64 H GLU 64 8.889 0.750 -7.387 476 HA GLU 64 HA GLU 64 6.101 1.005 -6.490 477 HB2 GLU 64 1HB GLU 64 8.507 1.515 -4.764 478 HB3 GLU 64 2HB GLU 64 6.872 1.095 -4.274 479 HG2 GLU 64 1HG GLU 64 7.171 -1.131 -4.665 480 HG3 GLU 64 2HG GLU 64 8.394 -0.863 -5.906 481 H GLY 65 H GLY 65 5.692 3.032 -5.146 482 HA2 GLY 65 1HA GLY 65 7.131 5.373 -5.312 483 HA3 GLY 65 2HA GLY 65 6.208 5.300 -6.806 484 H TYR 66 H TYR 66 5.284 7.317 -5.912 485 HA TYR 66 HA TYR 66 3.232 6.803 -3.869 486 HB2 TYR 66 1HB TYR 66 4.475 9.391 -4.815 487 HB3 TYR 66 2HB TYR 66 3.128 9.303 -3.686 488 HD1 TYR 66 1HD TYR 66 3.762 7.288 -1.804 489 HD2 TYR 66 2HD TYR 66 6.418 9.992 -3.737 490 HE1 TYR 66 1HE TYR 66 5.341 7.065 0.068 491 HE2 TYR 66 2HE TYR 66 8.005 9.775 -1.871 492 HH TYR 66 HH TYR 66 7.750 7.358 0.489 493 H VAL 67 H VAL 67 1.186 6.658 -4.486 494 HA VAL 67 HA VAL 67 0.347 8.005 -6.965 495 HB VAL 67 HB VAL 67 -1.265 5.987 -7.211 496 HG11 VAL 67 1HG1 VAL 67 0.265 6.330 -8.930 497 HG12 VAL 67 2HG1 VAL 67 1.655 6.028 -7.885 498 HG13 VAL 67 3HG1 VAL 67 0.622 4.690 -8.391 499 HG21 VAL 67 3HG2 VAL 67 -0.363 3.867 -6.399 500 HG22 VAL 67 1HG2 VAL 67 0.936 4.730 -5.574 501 HG23 VAL 67 2HG2 VAL 67 -0.737 4.951 -5.060 502 HA PRO 68 HA PRO 68 -3.043 9.583 -4.664 503 HB2 PRO 68 1HB PRO 68 -4.956 9.730 -6.585 504 HB3 PRO 68 2HB PRO 68 -3.570 10.825 -6.524 505 HG2 PRO 68 1HG PRO 68 -3.979 8.381 -8.202 506 HG3 PRO 68 2HG PRO 68 -3.303 9.954 -8.663 507 HD2 PRO 68 1HD PRO 68 -1.749 7.804 -8.122 508 HD3 PRO 68 2HD PRO 68 -1.233 9.467 -7.775 509 H SER 69 H SER 69 -3.855 8.225 -3.161 510 HA SER 69 HA SER 69 -4.763 5.676 -3.378 511 HB2 SER 69 1HB SER 69 -5.903 5.970 -1.315 512 HB3 SER 69 2HB SER 69 -4.555 7.106 -1.272 513 HG SER 69 HG SER 69 -6.578 8.025 -0.608 514 H SER 70 H SER 70 -6.488 8.599 -4.247 515 HA SER 70 HA SER 70 -9.084 7.803 -4.439 516 HB2 SER 70 1HB SER 70 -8.398 10.057 -5.031 517 HB3 SER 70 2HB SER 70 -7.529 9.456 -6.443 518 HG SER 70 HG SER 70 -9.417 10.024 -7.298 519 H TYR 71 H TYR 71 -6.617 7.325 -6.965 520 HA TYR 71 HA TYR 71 -8.248 5.894 -8.740 521 HB2 TYR 71 1HB TYR 71 -5.271 6.039 -8.341 522 HB3 TYR 71 2HB TYR 71 -5.971 4.967 -9.548 523 HD1 TYR 71 1HD TYR 71 -6.938 8.424 -8.533 524 HD2 TYR 71 2HD TYR 71 -5.467 5.890 -11.617 525 HE1 TYR 71 1HE TYR 71 -7.056 10.299 -10.121 526 HE2 TYR 71 2HE TYR 71 -5.580 7.758 -13.214 527 HH TYR 71 HH TYR 71 -5.535 10.621 -12.703 528 H LEU 72 H LEU 72 -6.076 4.775 -6.170 529 HA LEU 72 HA LEU 72 -6.438 2.014 -6.632 530 HB2 LEU 72 1HB LEU 72 -5.692 3.467 -4.098 531 HB3 LEU 72 2HB LEU 72 -5.544 1.730 -4.354 532 HG LEU 72 HG LEU 72 -4.013 3.879 -5.817 533 HD11 LEU 72 1HD1 LEU 72 -3.101 3.746 -3.668 534 HD12 LEU 72 2HD1 LEU 72 -2.083 2.689 -4.645 535 HD13 LEU 72 3HD1 LEU 72 -3.314 1.996 -3.588 536 HD21 LEU 72 3HD2 LEU 72 -4.404 2.024 -7.293 537 HD22 LEU 72 1HD2 LEU 72 -3.939 0.874 -6.040 538 HD23 LEU 72 2HD2 LEU 72 -2.732 1.959 -6.732 539 H VAL 73 H VAL 73 -7.686 0.485 -5.488 540 HA VAL 73 HA VAL 73 -9.813 1.455 -3.753 541 HB VAL 73 HB VAL 73 -11.628 0.726 -5.013 542 HG11 VAL 73 1HG1 VAL 73 -9.689 1.785 -7.067 543 HG12 VAL 73 2HG1 VAL 73 -11.451 1.820 -7.174 544 HG13 VAL 73 3HG1 VAL 73 -10.623 2.768 -5.938 545 HG21 VAL 73 3HG2 VAL 73 -9.654 -0.810 -6.693 546 HG22 VAL 73 1HG2 VAL 73 -10.903 -1.459 -5.629 547 HG23 VAL 73 2HG2 VAL 73 -11.357 -0.621 -7.114 548 H GLU 74 H GLU 74 -10.267 0.036 -2.182 549 HA GLU 74 HA GLU 74 -8.749 -2.338 -1.910 550 HB2 GLU 74 1HB GLU 74 -9.892 -0.778 -0.118 551 HB3 GLU 74 2HB GLU 74 -11.238 -1.892 -0.317 552 HG2 GLU 74 1HG GLU 74 -9.533 -3.744 0.119 553 HG3 GLU 74 2HG GLU 74 -8.477 -2.456 0.696 554 H LYS 75 H LYS 75 -9.067 -4.114 -3.068 555 HA LYS 75 HA LYS 75 -11.211 -4.791 -4.624 556 HB2 LYS 75 1HB LYS 75 -9.139 -6.005 -4.789 557 HB3 LYS 75 2HB LYS 75 -9.304 -6.607 -3.145 558 HG2 LYS 75 1HG LYS 75 -9.995 -8.443 -4.284 559 HG3 LYS 75 2HG LYS 75 -11.544 -7.614 -4.119 560 HD2 LYS 75 1HD LYS 75 -11.428 -6.778 -6.342 561 HD3 LYS 75 2HD LYS 75 -9.743 -7.278 -6.510 562 HE2 LYS 75 1HE LYS 75 -10.301 -9.528 -6.691 563 HE3 LYS 75 2HE LYS 75 -11.881 -9.297 -5.945 564 HZ1 LYS 75 3HZ LYS 75 -12.582 -9.387 -8.061 565 HZ2 LYS 75 1HZ LYS 75 -11.075 -8.970 -8.708 566 HZ3 LYS 75 2HZ LYS 75 -12.105 -7.765 -8.119 567 H SER 76 H SER 76 -13.269 -5.206 -4.207 568 HA SER 76 HA SER 76 -14.430 -5.331 -1.711 569 HB2 SER 76 1HB SER 76 -16.436 -6.138 -2.809 570 HB3 SER 76 2HB SER 76 -15.649 -4.957 -3.856 571 HG SER 76 HG SER 76 -15.930 -6.543 -5.247 572 HA PRO 77 HA PRO 77 -13.514 -9.325 -0.107 573 HB2 PRO 77 1HB PRO 77 -15.596 -9.589 1.615 574 HB3 PRO 77 2HB PRO 77 -14.230 -8.510 1.919 575 HG2 PRO 77 1HG PRO 77 -16.950 -7.867 0.847 576 HG3 PRO 77 2HG PRO 77 -15.984 -6.989 2.047 577 HD2 PRO 77 1HD PRO 77 -16.146 -6.213 -0.542 578 HD3 PRO 77 2HD PRO 77 -14.688 -5.964 0.441 579 H ASN 78 H ASN 78 -16.640 -8.633 -1.525 580 HA ASN 78 HA ASN 78 -17.187 -11.498 -1.830 581 HB2 ASN 78 1HB ASN 78 -19.120 -10.485 -1.009 582 HB3 ASN 78 2HB ASN 78 -18.888 -9.031 -1.975 583 HD21 ASN 78 1HD2 ASN 78 -20.521 -11.930 -1.710 584 HD22 ASN 78 2HD2 ASN 78 -21.179 -12.008 -3.305 585 H ASN 79 H ASN 79 -17.108 -12.501 -3.755 586 HA ASN 79 HA ASN 79 -16.408 -10.864 -6.098 587 HB2 ASN 79 1HB ASN 79 -14.629 -12.366 -5.641 588 HB3 ASN 79 2HB ASN 79 -15.734 -13.708 -5.356 589 HD21 ASN 79 1HD2 ASN 79 -16.791 -14.662 -7.143 590 HD22 ASN 79 2HD2 ASN 79 -16.132 -14.533 -8.735 591 H LEU 80 H LEU 80 -17.576 -10.994 -7.947 592 HA LEU 80 HA LEU 80 -19.930 -12.766 -7.905 593 HB2 LEU 80 1HB LEU 80 -19.546 -9.949 -8.765 594 HB3 LEU 80 2HB LEU 80 -20.697 -10.936 -9.663 595 HG LEU 80 HG LEU 80 -20.822 -10.480 -6.684 596 HD11 LEU 80 1HD1 LEU 80 -21.739 -8.851 -8.947 597 HD12 LEU 80 2HD1 LEU 80 -21.439 -8.403 -7.268 598 HD13 LEU 80 3HD1 LEU 80 -22.959 -9.177 -7.716 599 HD21 LEU 80 3HD2 LEU 80 -22.539 -11.895 -8.683 600 HD22 LEU 80 1HD2 LEU 80 -23.256 -11.191 -7.234 601 HD23 LEU 80 2HD2 LEU 80 -22.005 -12.426 -7.088 602 H GLU 81 H GLU 81 -20.805 -13.111 -10.224 603 HA GLU 81 HA GLU 81 -20.525 -14.126 -12.241 604 HB2 GLU 81 1HB GLU 81 -19.506 -11.809 -12.669 605 HB3 GLU 81 2HB GLU 81 -17.944 -12.603 -12.524 606 HG2 GLU 81 1HG GLU 81 -18.686 -14.169 -14.340 607 HG3 GLU 81 2HG GLU 81 -20.084 -13.119 -14.567 608 H THR 82 H THR 82 -19.655 -15.581 -10.057 609 HA THR 82 HA THR 82 -17.082 -16.597 -10.102 610 HB THR 82 HB THR 82 -19.605 -18.154 -9.502 611 HG1 THR 82 1HG THR 82 -19.466 -16.318 -8.189 612 HG21 THR 82 3HG2 THR 82 -16.715 -18.614 -8.765 613 HG22 THR 82 1HG2 THR 82 -17.750 -19.657 -9.738 614 HG23 THR 82 2HG2 THR 82 -18.070 -19.458 -8.015 615 H TYR 83 H TYR 83 -16.086 -18.342 -11.109 616 HA TYR 83 HA TYR 83 -17.354 -19.183 -13.627 617 HB2 TYR 83 1HB TYR 83 -14.439 -19.017 -12.844 618 HB3 TYR 83 2HB TYR 83 -15.013 -19.714 -14.355 619 HD1 TYR 83 1HD TYR 83 -16.071 -18.270 -16.061 620 HD2 TYR 83 2HD TYR 83 -14.342 -16.647 -12.529 621 HE1 TYR 83 1HE TYR 83 -16.048 -16.042 -17.103 622 HE2 TYR 83 2HE TYR 83 -14.316 -14.415 -13.560 623 HH TYR 83 HH TYR 83 -15.274 -13.176 -15.295 624 H GLU 84 H GLU 84 -18.481 -20.980 -12.988 625 HA GLU 84 HA GLU 84 -16.852 -23.227 -12.003 626 HB2 GLU 84 1HB GLU 84 -18.673 -22.112 -10.438 627 HB3 GLU 84 2HB GLU 84 -19.769 -23.109 -11.384 628 HG2 GLU 84 1HG GLU 84 -17.343 -24.281 -10.083 629 HG3 GLU 84 2HG GLU 84 -18.844 -24.047 -9.188 630 H TRP 85 H TRP 85 -16.526 -24.157 -13.995 631 HA TRP 85 HA TRP 85 -18.706 -25.697 -15.043 632 HB2 TRP 85 1HB TRP 85 -19.329 -23.889 -16.359 633 HB3 TRP 85 2HB TRP 85 -17.675 -23.309 -16.526 634 HD1 TRP 85 HD TRP 85 -16.141 -24.503 -18.397 635 HE1 TRP 85 1HE TRP 85 -16.768 -25.816 -20.519 636 HE3 TRP 85 3HE TRP 85 -21.043 -25.480 -17.326 637 HZ2 TRP 85 2HZ TRP 85 -19.041 -27.096 -21.597 638 HZ3 TRP 85 3HZ TRP 85 -22.375 -26.754 -18.956 639 HH2 TRP 85 HH TRP 85 -21.393 -27.544 -21.047 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -43.510 -29.782 -0.190 2 HA2 GLY 1 1HA GLY 1 -42.423 -27.762 1.596 3 HA3 GLY 1 2HA GLY 1 -42.114 -29.428 2.062 4 H SER 2 H SER 2 -40.324 -27.198 1.157 5 HA SER 2 HA SER 2 -38.782 -28.800 -0.723 6 HB2 SER 2 1HB SER 2 -39.712 -25.984 -1.299 7 HB3 SER 2 2HB SER 2 -38.355 -26.735 -2.137 8 HG SER 2 HG SER 2 -40.122 -28.508 -2.406 9 H SER 3 H SER 3 -36.558 -28.300 -0.752 10 HA SER 3 HA SER 3 -35.584 -26.236 1.055 11 HB2 SER 3 1HB SER 3 -35.961 -28.468 2.319 12 HB3 SER 3 2HB SER 3 -34.551 -29.039 1.426 13 HG SER 3 HG SER 3 -33.304 -27.843 2.636 14 H GLY 4 H GLY 4 -33.075 -26.304 1.059 15 HA2 GLY 4 1HA GLY 4 -31.311 -27.369 -0.557 16 HA3 GLY 4 2HA GLY 4 -32.267 -26.504 -1.751 17 H SER 5 H SER 5 -29.619 -26.329 0.258 18 HA SER 5 HA SER 5 -29.547 -23.395 0.003 19 HB2 SER 5 1HB SER 5 -29.879 -23.987 2.355 20 HB3 SER 5 2HB SER 5 -28.474 -25.051 2.300 21 HG SER 5 HG SER 5 -28.194 -22.815 3.148 22 H SER 6 H SER 6 -28.391 -23.606 -1.952 23 HA SER 6 HA SER 6 -25.599 -24.476 -1.593 24 HB2 SER 6 1HB SER 6 -27.205 -24.660 -4.153 25 HB3 SER 6 2HB SER 6 -25.549 -25.216 -3.909 26 HG SER 6 HG SER 6 -27.507 -26.737 -3.700 27 H GLY 7 H GLY 7 -24.265 -22.801 -1.658 28 HA2 GLY 7 1HA GLY 7 -24.935 -20.557 -3.461 29 HA3 GLY 7 2HA GLY 7 -24.240 -20.311 -1.866 30 H GLU 8 H GLU 8 -22.071 -20.356 -1.621 31 HA GLU 8 HA GLU 8 -20.485 -20.546 -4.050 32 HB2 GLU 8 1HB GLU 8 -20.082 -19.418 -1.325 33 HB3 GLU 8 2HB GLU 8 -18.653 -19.921 -2.217 34 HG2 GLU 8 1HG GLU 8 -19.088 -17.564 -2.546 35 HG3 GLU 8 2HG GLU 8 -19.276 -18.450 -4.059 36 H ASP 9 H ASP 9 -19.454 -22.329 -4.629 37 HA ASP 9 HA ASP 9 -19.369 -24.633 -2.944 38 HB2 ASP 9 1HB ASP 9 -18.170 -25.690 -4.820 39 HB3 ASP 9 2HB ASP 9 -19.625 -24.858 -5.362 40 H ASN 10 H ASN 10 -16.803 -22.615 -4.383 41 HA ASN 10 HA ASN 10 -15.215 -22.797 -1.995 42 HB2 ASN 10 1HB ASN 10 -13.497 -24.168 -2.691 43 HB3 ASN 10 2HB ASN 10 -14.862 -24.956 -3.476 44 HD21 ASN 10 1HD2 ASN 10 -12.203 -22.716 -3.966 45 HD22 ASN 10 2HD2 ASN 10 -12.053 -22.976 -5.668 46 H ARG 11 H ARG 11 -13.470 -21.338 -1.976 47 HA ARG 11 HA ARG 11 -13.079 -19.669 -4.343 48 HB2 ARG 11 1HB ARG 11 -13.457 -17.610 -3.177 49 HB3 ARG 11 2HB ARG 11 -14.873 -18.626 -2.945 50 HG2 ARG 11 1HG ARG 11 -14.416 -18.990 -0.716 51 HG3 ARG 11 2HG ARG 11 -12.698 -18.633 -0.904 52 HD2 ARG 11 1HD ARG 11 -13.385 -16.714 0.128 53 HD3 ARG 11 2HD ARG 11 -13.618 -16.251 -1.557 54 HE ARG 11 HE ARG 11 -15.988 -17.407 -0.630 55 HH11 ARG 11 1HH1 ARG 11 -14.042 -14.569 -0.101 56 HH12 ARG 11 2HH1 ARG 11 -15.384 -13.576 0.363 57 HH21 ARG 11 1HH2 ARG 11 -17.763 -16.110 -0.021 58 HH22 ARG 11 2HH2 ARG 11 -17.499 -14.454 0.409 59 H ARG 12 H ARG 12 -11.061 -18.750 -4.493 60 HA ARG 12 HA ARG 12 -9.205 -19.228 -2.262 61 HB2 ARG 12 1HB ARG 12 -8.761 -19.852 -5.183 62 HB3 ARG 12 2HB ARG 12 -7.459 -19.772 -4.003 63 HG2 ARG 12 1HG ARG 12 -8.582 -21.561 -2.711 64 HG3 ARG 12 2HG ARG 12 -9.781 -21.686 -4.000 65 HD2 ARG 12 1HD ARG 12 -6.879 -21.883 -4.668 66 HD3 ARG 12 2HD ARG 12 -7.698 -23.272 -3.956 67 HE ARG 12 HE ARG 12 -7.909 -22.377 -6.634 68 HH11 ARG 12 1HH1 ARG 12 -9.780 -23.754 -4.041 69 HH12 ARG 12 2HH1 ARG 12 -10.913 -24.530 -5.096 70 HH21 ARG 12 1HH2 ARG 12 -9.396 -23.394 -8.034 71 HH22 ARG 12 2HH2 ARG 12 -10.693 -24.325 -7.367 72 HA PRO 13 HA PRO 13 -7.982 -15.043 -2.815 73 HB2 PRO 13 1HB PRO 13 -5.439 -15.158 -1.871 74 HB3 PRO 13 2HB PRO 13 -6.858 -15.252 -0.822 75 HG2 PRO 13 1HG PRO 13 -5.133 -17.459 -1.876 76 HG3 PRO 13 2HG PRO 13 -5.796 -17.239 -0.246 77 HD2 PRO 13 1HD PRO 13 -6.903 -18.923 -2.054 78 HD3 PRO 13 2HD PRO 13 -7.867 -18.055 -0.843 79 H LEU 14 H LEU 14 -7.097 -13.785 -4.370 80 HA LEU 14 HA LEU 14 -5.898 -15.031 -6.641 81 HB2 LEU 14 1HB LEU 14 -6.443 -12.166 -5.910 82 HB3 LEU 14 2HB LEU 14 -5.657 -12.627 -7.419 83 HG LEU 14 HG LEU 14 -7.775 -14.078 -7.791 84 HD11 LEU 14 1HD1 LEU 14 -8.541 -12.363 -5.487 85 HD12 LEU 14 2HD1 LEU 14 -9.004 -14.021 -5.868 86 HD13 LEU 14 3HD1 LEU 14 -9.740 -12.677 -6.741 87 HD21 LEU 14 3HD2 LEU 14 -7.407 -11.147 -8.114 88 HD22 LEU 14 1HD2 LEU 14 -8.987 -11.835 -8.488 89 HD23 LEU 14 2HD2 LEU 14 -7.552 -12.413 -9.335 90 H TRP 15 H TRP 15 -4.723 -12.639 -4.276 91 HA TRP 15 HA TRP 15 -1.978 -13.228 -5.144 92 HB2 TRP 15 1HB TRP 15 -3.191 -10.872 -3.705 93 HB3 TRP 15 2HB TRP 15 -1.450 -11.130 -3.777 94 HD1 TRP 15 HD TRP 15 -4.224 -11.238 -6.509 95 HE1 TRP 15 1HE TRP 15 -3.416 -9.819 -8.499 96 HE3 TRP 15 3HE TRP 15 0.267 -9.679 -4.625 97 HZ2 TRP 15 2HZ TRP 15 -1.172 -8.248 -9.180 98 HZ3 TRP 15 3HZ TRP 15 1.684 -8.221 -6.010 99 HH2 TRP 15 HH TRP 15 0.978 -7.522 -8.240 100 H GLU 16 H GLU 16 -3.606 -12.361 -2.085 101 HA GLU 16 HA GLU 16 -2.590 -14.687 -0.752 102 HB2 GLU 16 1HB GLU 16 -1.237 -12.055 -0.455 103 HB3 GLU 16 2HB GLU 16 -1.473 -13.010 1.002 104 HG2 GLU 16 1HG GLU 16 -0.434 -14.927 -0.421 105 HG3 GLU 16 2HG GLU 16 0.189 -13.599 -1.399 106 HA PRO 17 HA PRO 17 -6.147 -13.887 1.706 107 HB2 PRO 17 1HB PRO 17 -5.526 -15.362 3.899 108 HB3 PRO 17 2HB PRO 17 -6.010 -16.085 2.361 109 HG2 PRO 17 1HG PRO 17 -3.266 -15.713 3.498 110 HG3 PRO 17 2HG PRO 17 -3.951 -17.121 2.665 111 HD2 PRO 17 1HD PRO 17 -2.326 -15.343 1.428 112 HD3 PRO 17 2HD PRO 17 -3.627 -16.200 0.577 113 H GLU 18 H GLU 18 -2.961 -13.462 3.180 114 HA GLU 18 HA GLU 18 -4.116 -11.510 5.051 115 HB2 GLU 18 1HB GLU 18 -2.103 -11.785 6.383 116 HB3 GLU 18 2HB GLU 18 -2.834 -13.353 6.069 117 HG2 GLU 18 1HG GLU 18 -1.132 -14.035 4.708 118 HG3 GLU 18 2HG GLU 18 -0.708 -12.392 4.230 119 H GLU 19 H GLU 19 -3.938 -10.607 2.497 120 HA GLU 19 HA GLU 19 -1.868 -8.559 2.746 121 HB2 GLU 19 1HB GLU 19 -2.118 -10.532 0.525 122 HB3 GLU 19 2HB GLU 19 -1.667 -8.882 0.117 123 HG2 GLU 19 1HG GLU 19 -0.198 -10.283 2.293 124 HG3 GLU 19 2HG GLU 19 0.150 -10.693 0.614 125 H THR 20 H THR 20 -2.318 -6.626 1.594 126 HA THR 20 HA THR 20 -5.175 -6.299 0.998 127 HB THR 20 HB THR 20 -3.089 -4.213 1.664 128 HG1 THR 20 1HG THR 20 -3.912 -5.634 3.392 129 HG21 THR 20 3HG2 THR 20 -6.064 -3.922 1.227 130 HG22 THR 20 1HG2 THR 20 -4.799 -3.329 0.152 131 HG23 THR 20 2HG2 THR 20 -4.973 -2.647 1.769 132 H VAL 21 H VAL 21 -5.629 -6.465 -1.099 133 HA VAL 21 HA VAL 21 -3.704 -5.417 -3.060 134 HB VAL 21 HB VAL 21 -6.009 -7.329 -3.463 135 HG11 VAL 21 1HG1 VAL 21 -4.057 -7.206 -5.590 136 HG12 VAL 21 2HG1 VAL 21 -5.813 -7.056 -5.664 137 HG13 VAL 21 3HG1 VAL 21 -4.819 -5.639 -5.324 138 HG21 VAL 21 3HG2 VAL 21 -4.009 -8.200 -2.219 139 HG22 VAL 21 1HG2 VAL 21 -4.377 -9.043 -3.724 140 HG23 VAL 21 2HG2 VAL 21 -3.054 -7.878 -3.666 141 H VAL 22 H VAL 22 -4.180 -3.682 -4.255 142 HA VAL 22 HA VAL 22 -6.949 -2.671 -4.184 143 HB VAL 22 HB VAL 22 -5.992 -0.396 -4.451 144 HG11 VAL 22 1HG1 VAL 22 -6.651 -1.003 -2.261 145 HG12 VAL 22 2HG1 VAL 22 -5.220 -2.009 -2.031 146 HG13 VAL 22 3HG1 VAL 22 -5.062 -0.254 -2.107 147 HG21 VAL 22 3HG2 VAL 22 -3.888 -0.688 -5.408 148 HG22 VAL 22 1HG2 VAL 22 -3.519 -0.234 -3.744 149 HG23 VAL 22 2HG2 VAL 22 -3.421 -1.924 -4.240 150 H ILE 23 H ILE 23 -7.512 -1.258 -6.049 151 HA ILE 23 HA ILE 23 -6.075 -1.983 -8.507 152 HB ILE 23 HB ILE 23 -9.085 -1.984 -8.316 153 HG12 ILE 23 1HG1 ILE 23 -7.481 -4.484 -8.675 154 HG13 ILE 23 2HG1 ILE 23 -7.698 -3.838 -7.051 155 HG21 ILE 23 1HG2 ILE 23 -7.416 -1.751 -10.496 156 HG22 ILE 23 2HG2 ILE 23 -7.818 -3.467 -10.470 157 HG23 ILE 23 3HG2 ILE 23 -9.104 -2.262 -10.529 158 HD11 ILE 23 3HD1 ILE 23 -9.340 -5.590 -7.751 159 HD12 ILE 23 1HD1 ILE 23 -10.048 -4.080 -7.181 160 HD13 ILE 23 2HD1 ILE 23 -9.983 -4.426 -8.909 161 H ALA 24 H ALA 24 -6.026 -0.429 -10.087 162 HA ALA 24 HA ALA 24 -6.807 2.244 -9.252 163 HB1 ALA 24 3HB ALA 24 -5.500 1.799 -11.872 164 HB2 ALA 24 1HB ALA 24 -5.205 3.037 -10.651 165 HB3 ALA 24 2HB ALA 24 -4.569 1.407 -10.426 166 H LEU 25 H LEU 25 -8.520 3.318 -10.002 167 HA LEU 25 HA LEU 25 -10.387 2.036 -11.737 168 HB2 LEU 25 1HB LEU 25 -10.344 4.885 -10.753 169 HB3 LEU 25 2HB LEU 25 -11.721 4.052 -11.471 170 HG LEU 25 HG LEU 25 -10.496 2.951 -8.982 171 HD11 LEU 25 1HD1 LEU 25 -12.469 5.229 -9.029 172 HD12 LEU 25 2HD1 LEU 25 -10.774 5.361 -8.564 173 HD13 LEU 25 3HD1 LEU 25 -11.877 4.377 -7.603 174 HD21 LEU 25 3HD2 LEU 25 -12.531 1.919 -8.700 175 HD22 LEU 25 1HD2 LEU 25 -12.416 1.965 -10.460 176 HD23 LEU 25 2HD2 LEU 25 -13.406 3.152 -9.610 177 H TYR 26 H TYR 26 -8.015 4.604 -12.099 178 HA TYR 26 HA TYR 26 -8.561 4.603 -14.994 179 HB2 TYR 26 1HB TYR 26 -7.474 7.006 -13.549 180 HB3 TYR 26 2HB TYR 26 -8.231 6.926 -15.136 181 HD1 TYR 26 2HD TYR 26 -8.829 6.997 -11.517 182 HD2 TYR 26 1HD TYR 26 -10.639 6.914 -15.367 183 HE1 TYR 26 2HE TYR 26 -10.988 7.608 -10.509 184 HE2 TYR 26 1HE TYR 26 -12.802 7.525 -14.370 185 HH TYR 26 HH TYR 26 -13.752 8.447 -12.454 186 H ASP 27 H ASP 27 -6.752 4.921 -16.370 187 HA ASP 27 HA ASP 27 -4.349 3.702 -15.375 188 HB2 ASP 27 1HB ASP 27 -5.226 3.221 -17.637 189 HB3 ASP 27 2HB ASP 27 -4.921 4.894 -18.096 190 H TYR 28 H TYR 28 -3.348 5.063 -13.940 191 HA TYR 28 HA TYR 28 -2.896 7.835 -14.531 192 HB2 TYR 28 1HB TYR 28 -3.165 6.854 -12.212 193 HB3 TYR 28 2HB TYR 28 -1.545 6.187 -12.391 194 HD1 TYR 28 2HD TYR 28 -3.388 9.426 -12.557 195 HD2 TYR 28 1HD TYR 28 0.287 7.450 -11.728 196 HE1 TYR 28 2HE TYR 28 -2.434 11.548 -11.759 197 HE2 TYR 28 1HE TYR 28 1.251 9.566 -10.926 198 HH TYR 28 HH TYR 28 0.102 12.476 -11.584 199 H GLN 29 H GLN 29 -1.124 8.792 -15.365 200 HA GLN 29 HA GLN 29 1.101 7.032 -16.157 201 HB2 GLN 29 1HB GLN 29 -0.255 9.301 -17.555 202 HB3 GLN 29 2HB GLN 29 1.442 8.985 -17.888 203 HG2 GLN 29 1HG GLN 29 0.985 6.847 -18.749 204 HG3 GLN 29 2HG GLN 29 -0.651 6.848 -18.094 205 HE21 GLN 29 1HE2 GLN 29 -2.166 8.395 -19.011 206 HE22 GLN 29 2HE2 GLN 29 -2.019 8.826 -20.677 207 H THR 30 H THR 30 3.045 7.469 -15.352 208 HA THR 30 HA THR 30 4.028 10.084 -14.876 209 HB THR 30 HB THR 30 2.460 9.847 -12.928 210 HG1 THR 30 1HG THR 30 5.211 10.326 -12.746 211 HG21 THR 30 3HG2 THR 30 2.708 8.245 -11.307 212 HG22 THR 30 1HG2 THR 30 4.424 8.019 -11.638 213 HG23 THR 30 2HG2 THR 30 3.218 7.321 -12.719 214 H ASN 31 H ASN 31 6.035 9.740 -15.569 215 HA ASN 31 HA ASN 31 7.398 7.246 -14.868 216 HB2 ASN 31 1HB ASN 31 9.075 7.982 -16.572 217 HB3 ASN 31 2HB ASN 31 7.450 7.776 -17.219 218 HD21 ASN 31 1HD2 ASN 31 7.985 9.131 -18.958 219 HD22 ASN 31 2HD2 ASN 31 8.061 10.847 -18.772 220 H ASP 32 H ASP 32 7.000 9.245 -12.852 221 HA ASP 32 HA ASP 32 9.651 10.423 -12.483 222 HB2 ASP 32 1HB ASP 32 8.642 11.659 -10.628 223 HB3 ASP 32 2HB ASP 32 7.694 11.863 -12.098 224 HA PRO 33 HA PRO 33 10.999 7.307 -9.691 225 HB2 PRO 33 1HB PRO 33 12.773 8.746 -8.224 226 HB3 PRO 33 2HB PRO 33 13.090 8.239 -9.887 227 HG2 PRO 33 1HG PRO 33 12.148 10.889 -8.863 228 HG3 PRO 33 2HG PRO 33 13.363 10.538 -10.106 229 HD2 PRO 33 1HD PRO 33 10.828 11.272 -10.712 230 HD3 PRO 33 2HD PRO 33 11.773 10.170 -11.734 231 H GLN 34 H GLN 34 9.295 10.079 -8.689 232 HA GLN 34 HA GLN 34 9.237 9.293 -5.882 233 HB2 GLN 34 1HB GLN 34 8.231 11.675 -7.409 234 HB3 GLN 34 2HB GLN 34 7.662 11.349 -5.778 235 HG2 GLN 34 1HG GLN 34 10.582 11.533 -6.426 236 HG3 GLN 34 2HG GLN 34 9.613 12.959 -6.056 237 HE21 GLN 34 1HE2 GLN 34 11.217 13.112 -4.299 238 HE22 GLN 34 2HE2 GLN 34 10.893 12.271 -2.825 239 H GLU 35 H GLU 35 7.049 9.614 -8.648 240 HA GLU 35 HA GLU 35 5.017 8.115 -7.131 241 HB2 GLU 35 1HB GLU 35 4.643 9.889 -9.551 242 HB3 GLU 35 2HB GLU 35 3.365 9.051 -8.682 243 HG2 GLU 35 1HG GLU 35 3.726 10.388 -6.731 244 HG3 GLU 35 2HG GLU 35 5.154 11.130 -7.450 245 H LEU 36 H LEU 36 3.635 6.663 -8.477 246 HA LEU 36 HA LEU 36 5.251 5.338 -10.554 247 HB2 LEU 36 1HB LEU 36 5.165 3.927 -8.637 248 HB3 LEU 36 2HB LEU 36 3.427 4.168 -8.467 249 HG LEU 36 HG LEU 36 3.335 3.012 -10.813 250 HD11 LEU 36 1HD1 LEU 36 6.108 2.551 -9.912 251 HD12 LEU 36 2HD1 LEU 36 5.433 2.600 -11.540 252 HD13 LEU 36 3HD1 LEU 36 5.246 1.152 -10.552 253 HD21 LEU 36 3HD2 LEU 36 3.645 0.752 -9.385 254 HD22 LEU 36 1HD2 LEU 36 2.220 1.787 -9.283 255 HD23 LEU 36 2HD2 LEU 36 3.500 1.927 -8.077 256 H ALA 37 H ALA 37 4.193 4.516 -12.368 257 HA ALA 37 HA ALA 37 1.734 5.891 -13.039 258 HB1 ALA 37 3HB ALA 37 3.417 4.026 -14.708 259 HB2 ALA 37 1HB ALA 37 2.102 5.047 -15.288 260 HB3 ALA 37 2HB ALA 37 3.576 5.781 -14.655 261 H LEU 38 H LEU 38 -0.044 4.998 -12.156 262 HA LEU 38 HA LEU 38 -0.361 2.175 -11.808 263 HB2 LEU 38 1HB LEU 38 -2.189 4.532 -11.474 264 HB3 LEU 38 2HB LEU 38 -2.758 2.877 -11.266 265 HG LEU 38 HG LEU 38 -0.460 3.987 -9.677 266 HD11 LEU 38 1HD1 LEU 38 -3.390 4.049 -8.973 267 HD12 LEU 38 2HD1 LEU 38 -2.362 5.446 -9.289 268 HD13 LEU 38 3HD1 LEU 38 -2.062 4.432 -7.878 269 HD21 LEU 38 3HD2 LEU 38 -1.072 1.466 -9.932 270 HD22 LEU 38 1HD2 LEU 38 -2.376 1.866 -8.814 271 HD23 LEU 38 2HD2 LEU 38 -0.698 2.126 -8.339 272 H ARG 39 H ARG 39 -1.859 0.807 -12.844 273 HA ARG 39 HA ARG 39 -2.517 1.653 -15.583 274 HB2 ARG 39 1HB ARG 39 -0.995 -0.395 -15.035 275 HB3 ARG 39 2HB ARG 39 -2.514 -1.204 -14.676 276 HG2 ARG 39 1HG ARG 39 -2.252 0.229 -17.266 277 HG3 ARG 39 2HG ARG 39 -1.428 -1.318 -17.064 278 HD2 ARG 39 1HD ARG 39 -3.705 -2.163 -16.198 279 HD3 ARG 39 2HD ARG 39 -4.362 -0.714 -16.957 280 HE ARG 39 HE ARG 39 -3.326 -3.063 -18.285 281 HH11 ARG 39 1HH1 ARG 39 -4.191 0.297 -18.576 282 HH12 ARG 39 2HH1 ARG 39 -4.400 0.229 -20.294 283 HH21 ARG 39 1HH2 ARG 39 -3.599 -3.166 -20.547 284 HH22 ARG 39 2HH2 ARG 39 -4.064 -1.742 -21.414 285 H ARG 40 H ARG 40 -4.555 1.228 -16.454 286 HA ARG 40 HA ARG 40 -6.736 1.517 -14.707 287 HB2 ARG 40 1HB ARG 40 -6.942 2.322 -16.945 288 HB3 ARG 40 2HB ARG 40 -6.579 0.738 -17.616 289 HG2 ARG 40 1HG ARG 40 -8.681 -0.078 -17.193 290 HG3 ARG 40 2HG ARG 40 -8.971 1.056 -15.873 291 HD2 ARG 40 1HD ARG 40 -9.177 2.884 -17.470 292 HD3 ARG 40 2HD ARG 40 -8.837 1.776 -18.799 293 HE ARG 40 HE ARG 40 -11.009 0.710 -17.504 294 HH11 ARG 40 1HH1 ARG 40 -10.252 3.732 -19.057 295 HH12 ARG 40 2HH1 ARG 40 -11.885 4.040 -19.546 296 HH21 ARG 40 1HH2 ARG 40 -13.163 1.103 -18.143 297 HH22 ARG 40 2HH2 ARG 40 -13.540 2.544 -19.025 298 H ASN 41 H ASN 41 -8.241 0.103 -13.916 299 HA ASN 41 HA ASN 41 -8.797 -1.886 -12.897 300 HB2 ASN 41 1HB ASN 41 -8.768 -2.660 -15.823 301 HB3 ASN 41 2HB ASN 41 -9.576 -3.568 -14.548 302 HD21 ASN 41 1HD2 ASN 41 -10.225 -1.669 -17.002 303 HD22 ASN 41 2HD2 ASN 41 -11.596 -0.799 -16.411 304 H GLU 42 H GLU 42 -6.166 -1.636 -12.501 305 HA GLU 42 HA GLU 42 -5.110 -4.329 -13.064 306 HB2 GLU 42 1HB GLU 42 -3.629 -3.045 -14.273 307 HB3 GLU 42 2HB GLU 42 -3.795 -1.657 -13.207 308 HG2 GLU 42 1HG GLU 42 -1.593 -2.548 -12.971 309 HG3 GLU 42 2HG GLU 42 -2.494 -2.872 -11.491 310 H GLU 43 H GLU 43 -4.020 -5.386 -11.407 311 HA GLU 43 HA GLU 43 -4.784 -4.562 -8.747 312 HB2 GLU 43 1HB GLU 43 -3.333 -6.986 -9.805 313 HB3 GLU 43 2HB GLU 43 -3.637 -6.722 -8.094 314 HG2 GLU 43 1HG GLU 43 -5.969 -6.886 -8.379 315 HG3 GLU 43 2HG GLU 43 -5.838 -6.765 -10.133 316 H TYR 44 H TYR 44 -3.348 -4.240 -6.998 317 HA TYR 44 HA TYR 44 -0.516 -3.942 -7.543 318 HB2 TYR 44 1HB TYR 44 -2.318 -1.607 -6.934 319 HB3 TYR 44 2HB TYR 44 -0.598 -1.569 -6.562 320 HD1 TYR 44 2HD TYR 44 1.046 -1.917 -8.476 321 HD2 TYR 44 1HD TYR 44 -3.087 -1.124 -9.098 322 HE1 TYR 44 2HE TYR 44 1.534 -1.215 -10.782 323 HE2 TYR 44 1HE TYR 44 -2.611 -0.420 -11.406 324 HH TYR 44 HH TYR 44 0.291 0.418 -12.511 325 H CYS 45 H CYS 45 0.636 -4.513 -5.814 326 HA CYS 45 HA CYS 45 -0.741 -5.132 -3.350 327 HB2 CYS 45 1HB CYS 45 1.632 -5.882 -2.674 328 HB3 CYS 45 2HB CYS 45 0.814 -6.781 -3.946 329 HG CYS 45 HG CYS 45 3.102 -6.733 -5.190 330 H LEU 46 H LEU 46 -1.002 -3.711 -1.772 331 HA LEU 46 HA LEU 46 0.312 -1.196 -1.723 332 HB2 LEU 46 1HB LEU 46 -1.892 -1.346 -0.845 333 HB3 LEU 46 2HB LEU 46 -1.427 -2.631 0.268 334 HG LEU 46 HG LEU 46 -0.045 -0.996 1.513 335 HD11 LEU 46 1HD1 LEU 46 -1.381 1.311 0.291 336 HD12 LEU 46 2HD1 LEU 46 -0.171 0.530 -0.726 337 HD13 LEU 46 3HD1 LEU 46 0.275 1.128 0.871 338 HD21 LEU 46 3HD2 LEU 46 -2.930 -1.076 1.324 339 HD22 LEU 46 1HD2 LEU 46 -2.358 0.491 1.898 340 HD23 LEU 46 2HD2 LEU 46 -1.894 -0.983 2.749 341 H LEU 47 H LEU 47 2.132 -0.565 -0.743 342 HA LEU 47 HA LEU 47 3.628 -2.562 0.783 343 HB2 LEU 47 1HB LEU 47 4.503 0.082 -0.371 344 HB3 LEU 47 2HB LEU 47 5.551 -1.076 0.445 345 HG LEU 47 HG LEU 47 4.075 -1.644 -2.123 346 HD11 LEU 47 1HD1 LEU 47 6.421 -0.070 -1.662 347 HD12 LEU 47 2HD1 LEU 47 5.611 -0.449 -3.182 348 HD13 LEU 47 3HD1 LEU 47 6.849 -1.534 -2.549 349 HD21 LEU 47 3HD2 LEU 47 6.164 -3.342 -2.037 350 HD22 LEU 47 1HD2 LEU 47 4.556 -3.735 -1.427 351 HD23 LEU 47 2HD2 LEU 47 5.813 -3.193 -0.314 352 H ASP 48 H ASP 48 3.069 0.959 0.977 353 HA ASP 48 HA ASP 48 2.536 0.722 3.824 354 HB2 ASP 48 1HB ASP 48 4.845 1.027 4.058 355 HB3 ASP 48 2HB ASP 48 4.934 2.130 2.688 356 H SER 49 H SER 49 0.920 2.032 4.363 357 HA SER 49 HA SER 49 0.232 4.216 2.520 358 HB2 SER 49 1HB SER 49 -1.418 2.527 4.388 359 HB3 SER 49 2HB SER 49 -2.025 4.063 3.769 360 HG SER 49 HG SER 49 -2.676 2.719 2.235 361 H SER 50 H SER 50 2.289 4.575 4.435 362 HA SER 50 HA SER 50 1.732 5.634 6.866 363 HB2 SER 50 1HB SER 50 3.743 6.312 4.777 364 HB3 SER 50 2HB SER 50 3.568 7.432 6.128 365 HG SER 50 HG SER 50 3.762 4.699 6.685 366 H GLU 51 H GLU 51 1.281 7.241 3.749 367 HA GLU 51 HA GLU 51 0.091 9.551 5.096 368 HB2 GLU 51 1HB GLU 51 1.032 9.057 2.281 369 HB3 GLU 51 2HB GLU 51 0.023 10.440 2.681 370 HG2 GLU 51 1HG GLU 51 2.616 9.872 4.081 371 HG3 GLU 51 2HG GLU 51 2.515 10.835 2.608 372 H ILE 52 H ILE 52 -1.762 10.496 3.492 373 HA ILE 52 HA ILE 52 -3.765 8.343 3.348 374 HB ILE 52 HB ILE 52 -4.203 11.313 3.687 375 HG12 ILE 52 1HG1 ILE 52 -4.738 9.103 5.674 376 HG13 ILE 52 2HG1 ILE 52 -3.242 10.031 5.655 377 HG21 ILE 52 1HG2 ILE 52 -6.544 10.106 4.357 378 HG22 ILE 52 2HG2 ILE 52 -6.196 10.819 2.782 379 HG23 ILE 52 3HG2 ILE 52 -5.991 9.085 3.029 380 HD11 ILE 52 3HD1 ILE 52 -5.452 11.829 5.634 381 HD12 ILE 52 1HD1 ILE 52 -5.663 10.657 6.935 382 HD13 ILE 52 2HD1 ILE 52 -4.191 11.626 6.849 383 H HIS 53 H HIS 53 -2.856 11.402 1.760 384 HA HIS 53 HA HIS 53 -4.434 10.888 -0.559 385 HB2 HIS 53 1HB HIS 53 -2.100 12.784 -0.491 386 HB3 HIS 53 2HB HIS 53 -3.600 12.916 -1.404 387 HD1 HIS 53 1HD HIS 53 -5.741 13.640 -0.039 388 HD2 HIS 53 2HD HIS 53 -2.146 13.900 2.028 389 HE1 HIS 53 1HE HIS 53 -6.225 15.068 1.974 390 HE2 HIS 53 2HE HIS 53 -4.015 15.282 3.164 391 H TRP 54 H TRP 54 -1.036 10.455 0.276 392 HA TRP 54 HA TRP 54 -0.603 9.164 -2.333 393 HB2 TRP 54 1HB TRP 54 1.509 10.142 -0.404 394 HB3 TRP 54 2HB TRP 54 1.749 9.606 -2.065 395 HD1 TRP 54 HD TRP 54 1.477 12.678 -0.135 396 HE1 TRP 54 1HE TRP 54 0.951 14.694 -1.647 397 HE3 TRP 54 3HE TRP 54 0.063 10.175 -4.362 398 HZ2 TRP 54 2HZ TRP 54 0.054 15.160 -4.282 399 HZ3 TRP 54 3HZ TRP 54 -0.615 11.480 -6.335 400 HH2 TRP 54 HH TRP 54 -0.620 13.921 -6.293 401 H TRP 55 H TRP 55 -0.710 7.025 -2.283 402 HA TRP 55 HA TRP 55 0.112 5.628 0.175 403 HB2 TRP 55 1HB TRP 55 -2.032 5.124 -1.827 404 HB3 TRP 55 2HB TRP 55 -1.251 3.720 -1.106 405 HD1 TRP 55 HD TRP 55 -1.284 6.368 1.425 406 HE1 TRP 55 1HE TRP 55 -3.226 6.038 3.081 407 HE3 TRP 55 3HE TRP 55 -3.991 2.901 -1.180 408 HZ2 TRP 55 2HZ TRP 55 -5.593 4.509 3.260 409 HZ3 TRP 55 3HZ TRP 55 -6.082 2.055 -0.196 410 HH2 TRP 55 HH TRP 55 -6.864 2.844 1.978 411 H ARG 56 H ARG 56 1.781 4.252 0.108 412 HA ARG 56 HA ARG 56 3.278 4.007 -2.349 413 HB2 ARG 56 1HB ARG 56 4.398 4.398 -0.176 414 HB3 ARG 56 2HB ARG 56 3.831 2.830 0.380 415 HG2 ARG 56 1HG ARG 56 5.131 1.735 -1.376 416 HG3 ARG 56 2HG ARG 56 5.702 3.311 -1.930 417 HD2 ARG 56 1HD ARG 56 7.449 2.666 -0.588 418 HD3 ARG 56 2HD ARG 56 6.463 3.569 0.562 419 HE ARG 56 HE ARG 56 5.550 1.065 0.876 420 HH11 ARG 56 1HH1 ARG 56 8.771 2.383 0.801 421 HH12 ARG 56 2HH1 ARG 56 9.425 1.187 1.870 422 HH21 ARG 56 1HH2 ARG 56 6.400 -0.515 2.285 423 HH22 ARG 56 2HH2 ARG 56 8.076 -0.461 2.713 424 H VAL 57 H VAL 57 2.880 2.477 -3.792 425 HA VAL 57 HA VAL 57 2.031 -0.178 -2.837 426 HB VAL 57 HB VAL 57 0.590 -0.446 -4.761 427 HG11 VAL 57 1HG1 VAL 57 -0.356 0.580 -2.744 428 HG12 VAL 57 2HG1 VAL 57 0.029 2.179 -3.383 429 HG13 VAL 57 3HG1 VAL 57 -1.151 1.159 -4.207 430 HG21 VAL 57 3HG2 VAL 57 0.691 2.353 -5.635 431 HG22 VAL 57 1HG2 VAL 57 2.147 1.420 -5.980 432 HG23 VAL 57 2HG2 VAL 57 0.584 0.869 -6.583 433 H GLN 58 H GLN 58 2.299 -1.844 -4.684 434 HA GLN 58 HA GLN 58 4.696 -1.287 -6.277 435 HB2 GLN 58 1HB GLN 58 5.574 -2.358 -4.320 436 HB3 GLN 58 2HB GLN 58 4.332 -3.602 -4.375 437 HG2 GLN 58 1HG GLN 58 5.300 -4.330 -6.572 438 HG3 GLN 58 2HG GLN 58 6.637 -3.223 -6.264 439 HE21 GLN 58 1HE2 GLN 58 7.676 -3.527 -4.068 440 HE22 GLN 58 2HE2 GLN 58 7.957 -5.157 -3.569 441 H ASP 59 H ASP 59 4.742 -2.257 -8.248 442 HA ASP 59 HA ASP 59 2.290 -3.421 -9.195 443 HB2 ASP 59 1HB ASP 59 3.712 -1.844 -10.537 444 HB3 ASP 59 2HB ASP 59 4.907 -3.129 -10.679 445 H ARG 60 H ARG 60 2.263 -5.443 -10.469 446 HA ARG 60 HA ARG 60 3.115 -7.627 -8.947 447 HB2 ARG 60 1HB ARG 60 1.232 -7.823 -10.445 448 HB3 ARG 60 2HB ARG 60 2.250 -7.478 -11.837 449 HG2 ARG 60 1HG ARG 60 1.914 -9.788 -11.893 450 HG3 ARG 60 2HG ARG 60 3.533 -9.586 -11.219 451 HD2 ARG 60 1HD ARG 60 2.219 -9.609 -8.937 452 HD3 ARG 60 2HD ARG 60 1.015 -10.469 -9.897 453 HE ARG 60 HE ARG 60 3.292 -11.799 -10.461 454 HH11 ARG 60 1HH1 ARG 60 1.777 -10.851 -7.474 455 HH12 ARG 60 2HH1 ARG 60 2.396 -12.200 -6.580 456 HH21 ARG 60 1HH2 ARG 60 4.114 -13.579 -9.295 457 HH22 ARG 60 2HH2 ARG 60 3.726 -13.750 -7.617 458 H ASN 61 H ASN 61 4.680 -5.874 -11.510 459 HA ASN 61 HA ASN 61 6.681 -7.884 -12.005 460 HB2 ASN 61 1HB ASN 61 6.151 -5.108 -12.978 461 HB3 ASN 61 2HB ASN 61 7.769 -5.774 -13.178 462 HD21 ASN 61 1HD2 ASN 61 5.018 -5.290 -14.755 463 HD22 ASN 61 2HD2 ASN 61 5.024 -6.634 -15.841 464 H GLY 62 H GLY 62 6.648 -4.679 -10.447 465 HA2 GLY 62 1HA GLY 62 7.985 -4.993 -8.207 466 HA3 GLY 62 2HA GLY 62 9.308 -5.208 -9.343 467 H HIS 63 H HIS 63 6.618 -2.986 -9.785 468 HA HIS 63 HA HIS 63 8.541 -0.762 -9.631 469 HB2 HIS 63 1HB HIS 63 5.878 -0.688 -11.043 470 HB3 HIS 63 2HB HIS 63 7.239 0.414 -11.232 471 HD1 HIS 63 1HD HIS 63 5.872 -1.187 -13.585 472 HD2 HIS 63 2HD HIS 63 9.390 -2.243 -11.643 473 HE1 HIS 63 1HE HIS 63 7.126 -2.642 -15.208 474 HE2 HIS 63 2HE HIS 63 9.212 -3.338 -13.979 475 H GLU 64 H GLU 64 8.366 0.506 -7.916 476 HA GLU 64 HA GLU 64 5.762 0.682 -6.553 477 HB2 GLU 64 1HB GLU 64 8.384 1.421 -5.288 478 HB3 GLU 64 2HB GLU 64 6.872 0.981 -4.507 479 HG2 GLU 64 1HG GLU 64 7.216 -1.258 -4.778 480 HG3 GLU 64 2HG GLU 64 8.219 -1.043 -6.212 481 H GLY 65 H GLY 65 5.779 2.842 -5.133 482 HA2 GLY 65 1HA GLY 65 6.886 5.190 -5.603 483 HA3 GLY 65 2HA GLY 65 6.000 4.987 -7.107 484 H TYR 66 H TYR 66 5.461 7.147 -5.555 485 HA TYR 66 HA TYR 66 3.184 6.577 -3.857 486 HB2 TYR 66 1HB TYR 66 4.498 9.170 -4.685 487 HB3 TYR 66 2HB TYR 66 3.113 9.074 -3.602 488 HD1 TYR 66 1HD TYR 66 3.585 7.110 -1.694 489 HD2 TYR 66 2HD TYR 66 6.479 9.582 -3.596 490 HE1 TYR 66 1HE TYR 66 5.098 6.801 0.220 491 HE2 TYR 66 2HE TYR 66 8.001 9.279 -1.688 492 HH TYR 66 HH TYR 66 7.713 8.708 0.822 493 H VAL 67 H VAL 67 1.077 6.873 -4.349 494 HA VAL 67 HA VAL 67 0.346 8.207 -6.842 495 HB VAL 67 HB VAL 67 -1.259 6.270 -7.322 496 HG11 VAL 67 1HG1 VAL 67 0.712 4.908 -8.345 497 HG12 VAL 67 2HG1 VAL 67 0.398 6.552 -8.905 498 HG13 VAL 67 3HG1 VAL 67 1.697 6.245 -7.753 499 HG21 VAL 67 3HG2 VAL 67 -1.287 4.687 -5.738 500 HG22 VAL 67 1HG2 VAL 67 0.213 4.119 -6.472 501 HG23 VAL 67 2HG2 VAL 67 0.267 5.194 -5.075 502 HA PRO 68 HA PRO 68 -3.082 9.678 -4.528 503 HB2 PRO 68 1HB PRO 68 -4.964 9.934 -6.468 504 HB3 PRO 68 2HB PRO 68 -3.573 11.017 -6.329 505 HG2 PRO 68 1HG PRO 68 -3.969 8.664 -8.137 506 HG3 PRO 68 2HG PRO 68 -3.278 10.255 -8.506 507 HD2 PRO 68 1HD PRO 68 -1.744 8.070 -8.052 508 HD3 PRO 68 2HD PRO 68 -1.224 9.710 -7.613 509 H SER 69 H SER 69 -3.932 8.257 -3.109 510 HA SER 69 HA SER 69 -4.838 5.726 -3.449 511 HB2 SER 69 1HB SER 69 -6.152 5.989 -1.439 512 HB3 SER 69 2HB SER 69 -4.686 6.955 -1.269 513 HG SER 69 HG SER 69 -6.336 8.264 -0.650 514 H SER 70 H SER 70 -6.605 8.687 -4.157 515 HA SER 70 HA SER 70 -9.166 7.887 -4.490 516 HB2 SER 70 1HB SER 70 -9.231 9.471 -6.498 517 HB3 SER 70 2HB SER 70 -8.653 10.150 -4.976 518 HG SER 70 HG SER 70 -7.151 10.773 -6.410 519 H TYR 71 H TYR 71 -6.529 7.328 -6.790 520 HA TYR 71 HA TYR 71 -8.134 6.031 -8.737 521 HB2 TYR 71 1HB TYR 71 -5.167 6.129 -8.231 522 HB3 TYR 71 2HB TYR 71 -5.850 5.153 -9.527 523 HD1 TYR 71 1HD TYR 71 -6.519 8.607 -8.250 524 HD2 TYR 71 2HD TYR 71 -5.529 6.147 -11.578 525 HE1 TYR 71 1HE TYR 71 -6.553 10.584 -9.714 526 HE2 TYR 71 2HE TYR 71 -5.559 8.117 -13.050 527 HH TYR 71 HH TYR 71 -6.956 10.682 -12.662 528 H LEU 72 H LEU 72 -6.035 4.833 -6.140 529 HA LEU 72 HA LEU 72 -6.445 2.084 -6.708 530 HB2 LEU 72 1HB LEU 72 -5.650 3.362 -4.097 531 HB3 LEU 72 2HB LEU 72 -5.430 1.672 -4.546 532 HG LEU 72 HG LEU 72 -4.026 4.047 -5.768 533 HD11 LEU 72 1HD1 LEU 72 -3.158 3.574 -3.589 534 HD12 LEU 72 2HD1 LEU 72 -2.019 2.956 -4.784 535 HD13 LEU 72 3HD1 LEU 72 -3.094 1.846 -3.934 536 HD21 LEU 72 3HD2 LEU 72 -4.253 2.510 -7.519 537 HD22 LEU 72 1HD2 LEU 72 -4.025 1.124 -6.452 538 HD23 LEU 72 2HD2 LEU 72 -2.660 2.170 -6.841 539 H VAL 73 H VAL 73 -7.731 0.559 -5.632 540 HA VAL 73 HA VAL 73 -9.793 1.542 -3.813 541 HB VAL 73 HB VAL 73 -11.637 0.813 -5.047 542 HG11 VAL 73 1HG1 VAL 73 -11.633 2.177 -6.913 543 HG12 VAL 73 2HG1 VAL 73 -10.295 2.839 -5.972 544 HG13 VAL 73 3HG1 VAL 73 -9.971 1.770 -7.337 545 HG21 VAL 73 3HG2 VAL 73 -9.678 -0.673 -6.786 546 HG22 VAL 73 1HG2 VAL 73 -10.923 -1.348 -5.736 547 HG23 VAL 73 2HG2 VAL 73 -11.381 -0.471 -7.195 548 H GLU 74 H GLU 74 -10.289 0.106 -2.262 549 HA GLU 74 HA GLU 74 -8.767 -2.243 -1.946 550 HB2 GLU 74 1HB GLU 74 -9.969 -0.768 -0.175 551 HB3 GLU 74 2HB GLU 74 -11.362 -1.788 -0.509 552 HG2 GLU 74 1HG GLU 74 -9.598 -3.712 -0.097 553 HG3 GLU 74 2HG GLU 74 -8.806 -2.446 0.839 554 H LYS 75 H LYS 75 -8.967 -3.983 -3.189 555 HA LYS 75 HA LYS 75 -11.136 -4.675 -4.772 556 HB2 LYS 75 1HB LYS 75 -8.812 -5.597 -4.945 557 HB3 LYS 75 2HB LYS 75 -9.162 -6.611 -3.552 558 HG2 LYS 75 1HG LYS 75 -11.015 -7.644 -4.829 559 HG3 LYS 75 2HG LYS 75 -10.525 -6.696 -6.235 560 HD2 LYS 75 1HD LYS 75 -8.234 -7.751 -5.969 561 HD3 LYS 75 2HD LYS 75 -8.984 -8.860 -4.820 562 HE2 LYS 75 1HE LYS 75 -9.018 -9.990 -6.881 563 HE3 LYS 75 2HE LYS 75 -10.659 -9.386 -6.658 564 HZ1 LYS 75 3HZ LYS 75 -9.051 -7.484 -8.022 565 HZ2 LYS 75 1HZ LYS 75 -10.501 -8.205 -8.511 566 HZ3 LYS 75 2HZ LYS 75 -9.026 -8.968 -8.832 567 H SER 76 H SER 76 -13.107 -5.366 -4.300 568 HA SER 76 HA SER 76 -13.989 -5.909 -1.694 569 HB2 SER 76 1HB SER 76 -15.168 -6.249 -4.424 570 HB3 SER 76 2HB SER 76 -15.988 -6.978 -3.044 571 HG SER 76 HG SER 76 -16.830 -5.018 -2.997 572 HA PRO 77 HA PRO 77 -13.059 -10.140 -0.991 573 HB2 PRO 77 1HB PRO 77 -15.208 -10.919 0.473 574 HB3 PRO 77 2HB PRO 77 -13.944 -9.862 1.111 575 HG2 PRO 77 1HG PRO 77 -16.640 -9.147 0.024 576 HG3 PRO 77 2HG PRO 77 -15.809 -8.518 1.459 577 HD2 PRO 77 1HD PRO 77 -15.883 -7.172 -0.889 578 HD3 PRO 77 2HD PRO 77 -14.504 -7.073 0.225 579 H ASN 78 H ASN 78 -15.685 -9.194 -2.895 580 HA ASN 78 HA ASN 78 -17.163 -11.452 -3.372 581 HB2 ASN 78 1HB ASN 78 -17.910 -9.590 -4.536 582 HB3 ASN 78 2HB ASN 78 -16.300 -9.181 -5.121 583 HD21 ASN 78 1HD2 ASN 78 -15.499 -10.187 -6.946 584 HD22 ASN 78 2HD2 ASN 78 -16.500 -11.102 -8.016 585 H ASN 79 H ASN 79 -17.059 -13.131 -4.942 586 HA ASN 79 HA ASN 79 -14.318 -13.795 -5.797 587 HB2 ASN 79 1HB ASN 79 -15.081 -15.241 -3.949 588 HB3 ASN 79 2HB ASN 79 -16.479 -15.719 -4.908 589 HD21 ASN 79 1HD2 ASN 79 -13.033 -15.975 -4.533 590 HD22 ASN 79 2HD2 ASN 79 -12.816 -17.328 -5.586 591 H LEU 80 H LEU 80 -14.028 -14.251 -7.893 592 HA LEU 80 HA LEU 80 -16.379 -14.873 -9.541 593 HB2 LEU 80 1HB LEU 80 -15.537 -13.406 -11.305 594 HB3 LEU 80 2HB LEU 80 -15.917 -12.517 -9.831 595 HG LEU 80 HG LEU 80 -13.358 -12.756 -9.366 596 HD11 LEU 80 1HD1 LEU 80 -13.444 -14.140 -11.724 597 HD12 LEU 80 2HD1 LEU 80 -12.004 -13.408 -11.017 598 HD13 LEU 80 3HD1 LEU 80 -12.924 -12.536 -12.243 599 HD21 LEU 80 3HD2 LEU 80 -14.497 -10.881 -11.436 600 HD22 LEU 80 1HD2 LEU 80 -12.967 -10.653 -10.588 601 HD23 LEU 80 2HD2 LEU 80 -14.485 -10.639 -9.689 602 H GLU 81 H GLU 81 -15.689 -15.662 -11.765 603 HA GLU 81 HA GLU 81 -13.830 -17.814 -11.404 604 HB2 GLU 81 1HB GLU 81 -15.671 -16.919 -13.575 605 HB3 GLU 81 2HB GLU 81 -14.365 -18.019 -13.993 606 HG2 GLU 81 1HG GLU 81 -16.139 -18.654 -11.683 607 HG3 GLU 81 2HG GLU 81 -16.706 -18.940 -13.327 608 H THR 82 H THR 82 -11.775 -17.021 -11.160 609 HA THR 82 HA THR 82 -10.696 -15.317 -13.292 610 HB THR 82 HB THR 82 -10.314 -14.493 -11.028 611 HG1 THR 82 1HG THR 82 -8.632 -13.922 -12.288 612 HG21 THR 82 3HG2 THR 82 -8.656 -15.831 -9.605 613 HG22 THR 82 1HG2 THR 82 -9.085 -17.206 -10.622 614 HG23 THR 82 2HG2 THR 82 -10.323 -16.401 -9.658 615 H TYR 83 H TYR 83 -8.905 -15.902 -14.491 616 HA TYR 83 HA TYR 83 -8.559 -18.669 -14.992 617 HB2 TYR 83 1HB TYR 83 -6.742 -16.422 -15.878 618 HB3 TYR 83 2HB TYR 83 -6.926 -18.002 -16.632 619 HD1 TYR 83 1HD TYR 83 -9.508 -18.530 -17.263 620 HD2 TYR 83 2HD TYR 83 -7.763 -14.662 -16.948 621 HE1 TYR 83 1HE TYR 83 -11.257 -17.627 -18.738 622 HE2 TYR 83 2HE TYR 83 -9.509 -13.748 -18.421 623 HH TYR 83 HH TYR 83 -12.046 -15.835 -19.777 624 H GLU 84 H GLU 84 -6.613 -19.915 -14.796 625 HA GLU 84 HA GLU 84 -5.090 -19.208 -12.387 626 HB2 GLU 84 1HB GLU 84 -4.545 -21.610 -12.254 627 HB3 GLU 84 2HB GLU 84 -6.278 -21.319 -12.232 628 HG2 GLU 84 1HG GLU 84 -6.348 -21.859 -14.650 629 HG3 GLU 84 2HG GLU 84 -4.639 -22.281 -14.563 630 H TRP 85 H TRP 85 -4.352 -17.916 -14.724 631 HA TRP 85 HA TRP 85 -1.886 -19.304 -15.534 632 HB2 TRP 85 1HB TRP 85 -3.716 -18.462 -17.229 633 HB3 TRP 85 2HB TRP 85 -2.932 -16.903 -16.983 634 HD1 TRP 85 HD TRP 85 -1.064 -16.417 -18.651 635 HE1 TRP 85 1HE TRP 85 0.512 -17.818 -20.127 636 HE3 TRP 85 3HE TRP 85 -2.489 -21.092 -17.151 637 HZ2 TRP 85 2HZ TRP 85 1.076 -20.544 -20.594 638 HZ3 TRP 85 3HZ TRP 85 -1.382 -23.043 -18.162 639 HH2 TRP 85 HH TRP 85 0.363 -22.773 -19.848 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -24.416 -34.287 -29.346 2 HA2 GLY 1 1HA GLY 1 -25.812 -31.880 -29.232 3 HA3 GLY 1 2HA GLY 1 -24.830 -32.530 -27.929 4 H SER 2 H SER 2 -25.256 -29.750 -28.975 5 HA SER 2 HA SER 2 -22.556 -29.057 -29.859 6 HB2 SER 2 1HB SER 2 -25.202 -27.668 -29.891 7 HB3 SER 2 2HB SER 2 -23.736 -26.688 -29.888 8 HG SER 2 HG SER 2 -23.181 -28.361 -31.681 9 H SER 3 H SER 3 -24.891 -28.110 -27.344 10 HA SER 3 HA SER 3 -22.832 -26.704 -25.867 11 HB2 SER 3 1HB SER 3 -24.700 -26.267 -24.242 12 HB3 SER 3 2HB SER 3 -25.020 -25.696 -25.880 13 HG SER 3 HG SER 3 -26.153 -27.841 -24.481 14 H GLY 4 H GLY 4 -22.228 -27.206 -23.702 15 HA2 GLY 4 1HA GLY 4 -22.909 -29.154 -22.011 16 HA3 GLY 4 2HA GLY 4 -22.068 -30.076 -23.247 17 H SER 5 H SER 5 -21.353 -26.850 -21.956 18 HA SER 5 HA SER 5 -18.707 -27.870 -21.161 19 HB2 SER 5 1HB SER 5 -19.517 -25.073 -21.990 20 HB3 SER 5 2HB SER 5 -17.904 -25.540 -21.451 21 HG SER 5 HG SER 5 -18.178 -25.511 -23.764 22 H SER 6 H SER 6 -19.556 -28.524 -19.105 23 HA SER 6 HA SER 6 -20.972 -27.128 -17.266 24 HB2 SER 6 1HB SER 6 -19.830 -29.445 -17.069 25 HB3 SER 6 2HB SER 6 -18.465 -28.551 -16.401 26 HG SER 6 HG SER 6 -21.108 -28.713 -15.398 27 H GLY 7 H GLY 7 -17.421 -26.933 -17.587 28 HA2 GLY 7 1HA GLY 7 -16.191 -24.909 -17.503 29 HA3 GLY 7 2HA GLY 7 -17.561 -24.139 -16.717 30 H GLU 8 H GLU 8 -15.133 -26.683 -16.170 31 HA GLU 8 HA GLU 8 -15.257 -26.107 -13.296 32 HB2 GLU 8 1HB GLU 8 -14.141 -28.432 -14.858 33 HB3 GLU 8 2HB GLU 8 -13.829 -28.209 -13.143 34 HG2 GLU 8 1HG GLU 8 -16.552 -28.498 -14.392 35 HG3 GLU 8 2HG GLU 8 -15.660 -29.777 -13.569 36 H ASP 9 H ASP 9 -14.058 -24.204 -13.236 37 HA ASP 9 HA ASP 9 -11.201 -24.506 -13.895 38 HB2 ASP 9 1HB ASP 9 -13.037 -22.142 -14.146 39 HB3 ASP 9 2HB ASP 9 -11.301 -21.909 -13.958 40 H ASN 10 H ASN 10 -10.407 -25.137 -11.943 41 HA ASN 10 HA ASN 10 -11.135 -23.615 -9.556 42 HB2 ASN 10 1HB ASN 10 -9.440 -26.108 -9.836 43 HB3 ASN 10 2HB ASN 10 -9.940 -25.370 -8.317 44 HD21 ASN 10 1HD2 ASN 10 -11.657 -26.211 -7.398 45 HD22 ASN 10 2HD2 ASN 10 -12.909 -27.097 -8.193 46 H ARG 11 H ARG 11 -9.652 -22.193 -11.442 47 HA ARG 11 HA ARG 11 -6.863 -22.243 -10.826 48 HB2 ARG 11 1HB ARG 11 -8.151 -21.312 -12.930 49 HB3 ARG 11 2HB ARG 11 -8.192 -19.830 -11.985 50 HG2 ARG 11 1HG ARG 11 -5.883 -19.589 -12.026 51 HG3 ARG 11 2HG ARG 11 -5.618 -21.287 -12.429 52 HD2 ARG 11 1HD ARG 11 -7.088 -19.483 -14.313 53 HD3 ARG 11 2HD ARG 11 -5.325 -19.483 -14.267 54 HE ARG 11 HE ARG 11 -6.966 -21.413 -15.505 55 HH11 ARG 11 1HH1 ARG 11 -4.078 -21.138 -13.581 56 HH12 ARG 11 2HH1 ARG 11 -3.364 -22.586 -14.211 57 HH21 ARG 11 1HH2 ARG 11 -6.037 -23.321 -16.342 58 HH22 ARG 11 2HH2 ARG 11 -4.479 -23.826 -15.781 59 H ARG 12 H ARG 12 -5.702 -20.342 -9.938 60 HA ARG 12 HA ARG 12 -7.245 -19.033 -7.796 61 HB2 ARG 12 1HB ARG 12 -4.562 -20.376 -7.694 62 HB3 ARG 12 2HB ARG 12 -4.961 -19.095 -6.558 63 HG2 ARG 12 1HG ARG 12 -6.672 -21.536 -6.927 64 HG3 ARG 12 2HG ARG 12 -5.349 -21.451 -5.762 65 HD2 ARG 12 1HD ARG 12 -6.408 -19.733 -4.538 66 HD3 ARG 12 2HD ARG 12 -7.569 -19.426 -5.829 67 HE ARG 12 HE ARG 12 -8.032 -22.014 -5.099 68 HH11 ARG 12 1HH1 ARG 12 -7.946 -18.963 -3.423 69 HH12 ARG 12 2HH1 ARG 12 -9.117 -19.434 -2.236 70 HH21 ARG 12 1HH2 ARG 12 -9.574 -22.645 -3.542 71 HH22 ARG 12 2HH2 ARG 12 -10.042 -21.529 -2.304 72 HA PRO 13 HA PRO 13 -5.689 -15.182 -9.215 73 HB2 PRO 13 1HB PRO 13 -5.475 -13.802 -6.887 74 HB3 PRO 13 2HB PRO 13 -7.030 -14.191 -7.634 75 HG2 PRO 13 1HG PRO 13 -5.613 -15.565 -5.383 76 HG3 PRO 13 2HG PRO 13 -7.332 -15.158 -5.541 77 HD2 PRO 13 1HD PRO 13 -6.374 -17.647 -6.013 78 HD3 PRO 13 2HD PRO 13 -7.768 -16.979 -6.886 79 H LEU 14 H LEU 14 -3.844 -13.809 -9.268 80 HA LEU 14 HA LEU 14 -1.383 -15.137 -8.880 81 HB2 LEU 14 1HB LEU 14 -2.158 -12.340 -9.613 82 HB3 LEU 14 2HB LEU 14 -0.470 -12.749 -9.311 83 HG LEU 14 HG LEU 14 -2.148 -14.179 -11.361 84 HD11 LEU 14 1HD1 LEU 14 -2.045 -12.420 -12.702 85 HD12 LEU 14 2HD1 LEU 14 -0.285 -12.438 -12.584 86 HD13 LEU 14 3HD1 LEU 14 -1.235 -11.487 -11.443 87 HD21 LEU 14 3HD2 LEU 14 0.747 -13.902 -11.695 88 HD22 LEU 14 1HD2 LEU 14 -0.289 -15.318 -11.876 89 HD23 LEU 14 2HD2 LEU 14 0.266 -14.831 -10.274 90 H TRP 15 H TRP 15 -2.853 -12.371 -7.189 91 HA TRP 15 HA TRP 15 -0.764 -12.354 -5.196 92 HB2 TRP 15 1HB TRP 15 -3.319 -10.846 -4.842 93 HB3 TRP 15 2HB TRP 15 -1.671 -10.367 -4.447 94 HD1 TRP 15 HD TRP 15 -3.919 -10.817 -7.569 95 HE1 TRP 15 1HE TRP 15 -3.125 -9.153 -9.365 96 HE3 TRP 15 3HE TRP 15 0.154 -8.894 -5.150 97 HZ2 TRP 15 2HZ TRP 15 -1.046 -7.275 -9.711 98 HZ3 TRP 15 3HZ TRP 15 1.492 -7.168 -6.283 99 HH2 TRP 15 HH TRP 15 0.903 -6.377 -8.517 100 H GLU 16 H GLU 16 -1.530 -12.224 -2.820 101 HA GLU 16 HA GLU 16 -3.145 -14.619 -2.320 102 HB2 GLU 16 1HB GLU 16 -1.014 -13.190 -0.765 103 HB3 GLU 16 2HB GLU 16 -2.136 -14.267 0.057 104 HG2 GLU 16 1HG GLU 16 -0.738 -15.277 -2.359 105 HG3 GLU 16 2HG GLU 16 0.181 -15.111 -0.864 106 HA PRO 17 HA PRO 17 -6.488 -12.432 -0.508 107 HB2 PRO 17 1HB PRO 17 -7.199 -14.084 1.526 108 HB3 PRO 17 2HB PRO 17 -7.498 -14.468 -0.173 109 HG2 PRO 17 1HG PRO 17 -5.297 -15.413 1.622 110 HG3 PRO 17 2HG PRO 17 -6.259 -16.334 0.451 111 HD2 PRO 17 1HD PRO 17 -3.755 -15.457 -0.089 112 HD3 PRO 17 2HD PRO 17 -5.005 -15.606 -1.341 113 H GLU 18 H GLU 18 -3.626 -13.012 1.255 114 HA GLU 18 HA GLU 18 -4.468 -11.621 3.648 115 HB2 GLU 18 1HB GLU 18 -2.272 -12.048 4.487 116 HB3 GLU 18 2HB GLU 18 -2.809 -13.504 3.661 117 HG2 GLU 18 1HG GLU 18 -1.487 -12.872 1.700 118 HG3 GLU 18 2HG GLU 18 -0.931 -11.431 2.550 119 H GLU 19 H GLU 19 -2.289 -11.010 0.913 120 HA GLU 19 HA GLU 19 -1.514 -8.417 1.771 121 HB2 GLU 19 1HB GLU 19 -0.905 -8.207 -0.752 122 HB3 GLU 19 2HB GLU 19 -0.021 -9.340 0.260 123 HG2 GLU 19 1HG GLU 19 -1.186 -11.191 -0.623 124 HG3 GLU 19 2HG GLU 19 -2.386 -10.158 -1.397 125 H THR 20 H THR 20 -2.432 -6.475 1.475 126 HA THR 20 HA THR 20 -5.146 -6.313 0.635 127 HB THR 20 HB THR 20 -3.208 -4.049 1.153 128 HG1 THR 20 1HG THR 20 -3.446 -5.397 2.981 129 HG21 THR 20 3HG2 THR 20 -5.726 -3.220 1.874 130 HG22 THR 20 1HG2 THR 20 -6.035 -4.165 0.418 131 HG23 THR 20 2HG2 THR 20 -4.907 -2.810 0.368 132 H VAL 21 H VAL 21 -5.336 -6.897 -1.510 133 HA VAL 21 HA VAL 21 -3.731 -5.594 -3.536 134 HB VAL 21 HB VAL 21 -5.999 -7.575 -3.732 135 HG11 VAL 21 1HG1 VAL 21 -6.246 -7.041 -5.871 136 HG12 VAL 21 2HG1 VAL 21 -5.014 -5.787 -5.722 137 HG13 VAL 21 3HG1 VAL 21 -4.550 -7.433 -6.154 138 HG21 VAL 21 3HG2 VAL 21 -4.017 -8.595 -2.886 139 HG22 VAL 21 1HG2 VAL 21 -4.155 -9.046 -4.585 140 HG23 VAL 21 2HG2 VAL 21 -3.015 -7.793 -4.095 141 H VAL 22 H VAL 22 -4.216 -3.695 -4.397 142 HA VAL 22 HA VAL 22 -7.018 -2.782 -4.313 143 HB VAL 22 HB VAL 22 -6.062 -0.468 -4.482 144 HG11 VAL 22 1HG1 VAL 22 -5.462 -2.204 -2.103 145 HG12 VAL 22 2HG1 VAL 22 -5.237 -0.453 -2.080 146 HG13 VAL 22 3HG1 VAL 22 -6.840 -1.135 -2.361 147 HG21 VAL 22 3HG2 VAL 22 -3.493 -1.006 -3.388 148 HG22 VAL 22 1HG2 VAL 22 -3.661 -1.920 -4.888 149 HG23 VAL 22 2HG2 VAL 22 -3.898 -0.173 -4.889 150 H ILE 23 H ILE 23 -7.826 -1.597 -6.107 151 HA ILE 23 HA ILE 23 -6.354 -2.088 -8.613 152 HB ILE 23 HB ILE 23 -9.352 -1.907 -8.405 153 HG12 ILE 23 1HG1 ILE 23 -9.089 -4.492 -8.789 154 HG13 ILE 23 2HG1 ILE 23 -7.521 -4.249 -8.027 155 HG21 ILE 23 1HG2 ILE 23 -8.223 -3.501 -10.541 156 HG22 ILE 23 2HG2 ILE 23 -9.356 -2.152 -10.617 157 HG23 ILE 23 3HG2 ILE 23 -7.620 -1.844 -10.567 158 HD11 ILE 23 3HD1 ILE 23 -10.072 -3.324 -6.755 159 HD12 ILE 23 1HD1 ILE 23 -9.441 -4.956 -6.535 160 HD13 ILE 23 2HD1 ILE 23 -8.493 -3.565 -6.009 161 H ALA 24 H ALA 24 -6.333 -0.486 -10.170 162 HA ALA 24 HA ALA 24 -6.914 2.192 -9.185 163 HB1 ALA 24 3HB ALA 24 -5.546 2.993 -10.969 164 HB2 ALA 24 1HB ALA 24 -4.720 1.618 -10.235 165 HB3 ALA 24 2HB ALA 24 -5.570 1.421 -11.768 166 H LEU 25 H LEU 25 -8.504 3.478 -9.917 167 HA LEU 25 HA LEU 25 -10.506 2.337 -11.648 168 HB2 LEU 25 1HB LEU 25 -10.402 5.108 -10.474 169 HB3 LEU 25 2HB LEU 25 -11.815 4.284 -11.130 170 HG LEU 25 HG LEU 25 -10.396 3.112 -8.778 171 HD11 LEU 25 1HD1 LEU 25 -12.497 4.631 -7.759 172 HD12 LEU 25 2HD1 LEU 25 -11.618 5.721 -8.831 173 HD13 LEU 25 3HD1 LEU 25 -10.770 4.901 -7.520 174 HD21 LEU 25 3HD2 LEU 25 -13.341 3.228 -9.105 175 HD22 LEU 25 1HD2 LEU 25 -12.319 1.939 -8.470 176 HD23 LEU 25 2HD2 LEU 25 -12.435 2.194 -10.211 177 H TYR 26 H TYR 26 -7.978 4.734 -11.869 178 HA TYR 26 HA TYR 26 -8.526 4.971 -14.741 179 HB2 TYR 26 1HB TYR 26 -7.632 7.388 -13.209 180 HB3 TYR 26 2HB TYR 26 -8.439 7.298 -14.770 181 HD1 TYR 26 2HD TYR 26 -8.904 7.242 -11.136 182 HD2 TYR 26 1HD TYR 26 -10.849 7.077 -14.917 183 HE1 TYR 26 2HE TYR 26 -11.065 7.652 -10.036 184 HE2 TYR 26 1HE TYR 26 -13.015 7.489 -13.827 185 HH TYR 26 HH TYR 26 -13.350 7.499 -10.351 186 H ASP 27 H ASP 27 -6.677 5.640 -16.003 187 HA ASP 27 HA ASP 27 -4.245 4.457 -15.031 188 HB2 ASP 27 1HB ASP 27 -5.153 4.346 -17.424 189 HB3 ASP 27 2HB ASP 27 -4.553 5.992 -17.606 190 H TYR 28 H TYR 28 -3.060 5.568 -13.612 191 HA TYR 28 HA TYR 28 -2.891 8.462 -13.758 192 HB2 TYR 28 1HB TYR 28 -3.141 7.352 -11.571 193 HB3 TYR 28 2HB TYR 28 -1.605 6.529 -11.818 194 HD1 TYR 28 2HD TYR 28 -2.913 10.034 -11.960 195 HD2 TYR 28 1HD TYR 28 0.195 7.417 -10.697 196 HE1 TYR 28 2HE TYR 28 -1.735 11.936 -10.936 197 HE2 TYR 28 1HE TYR 28 1.381 9.312 -9.669 198 HH TYR 28 HH TYR 28 0.582 11.682 -8.714 199 H GLN 29 H GLN 29 -1.077 9.638 -14.241 200 HA GLN 29 HA GLN 29 1.373 8.210 -14.951 201 HB2 GLN 29 1HB GLN 29 1.542 9.157 -17.115 202 HB3 GLN 29 2HB GLN 29 -0.090 8.511 -17.000 203 HG2 GLN 29 1HG GLN 29 -0.717 10.920 -16.275 204 HG3 GLN 29 2HG GLN 29 0.822 11.352 -17.019 205 HE21 GLN 29 1HE2 GLN 29 -0.497 12.608 -18.479 206 HE22 GLN 29 2HE2 GLN 29 -1.230 11.838 -19.840 207 H THR 30 H THR 30 3.067 9.187 -14.077 208 HA THR 30 HA THR 30 2.836 12.042 -13.387 209 HB THR 30 HB THR 30 3.071 10.918 -11.345 210 HG1 THR 30 1HG THR 30 4.788 11.987 -10.694 211 HG21 THR 30 3HG2 THR 30 4.758 9.156 -10.945 212 HG22 THR 30 1HG2 THR 30 5.204 9.224 -12.649 213 HG23 THR 30 2HG2 THR 30 3.586 8.700 -12.181 214 H ASN 31 H ASN 31 4.801 13.317 -13.481 215 HA ASN 31 HA ASN 31 6.445 12.544 -15.769 216 HB2 ASN 31 1HB ASN 31 6.369 15.208 -14.340 217 HB3 ASN 31 2HB ASN 31 7.064 14.868 -15.922 218 HD21 ASN 31 1HD2 ASN 31 4.298 15.782 -14.208 219 HD22 ASN 31 2HD2 ASN 31 3.184 15.788 -15.529 220 H ASP 32 H ASP 32 6.587 12.518 -12.414 221 HA ASP 32 HA ASP 32 9.518 12.715 -12.377 222 HB2 ASP 32 1HB ASP 32 7.477 12.817 -10.151 223 HB3 ASP 32 2HB ASP 32 9.216 12.769 -9.876 224 HA PRO 33 HA PRO 33 10.012 8.376 -11.918 225 HB2 PRO 33 1HB PRO 33 12.286 8.294 -10.438 226 HB3 PRO 33 2HB PRO 33 12.268 8.743 -12.148 227 HG2 PRO 33 1HG PRO 33 12.361 10.503 -9.728 228 HG3 PRO 33 2HG PRO 33 13.274 10.634 -11.243 229 HD2 PRO 33 1HD PRO 33 11.088 12.146 -10.724 230 HD3 PRO 33 2HD PRO 33 11.516 11.617 -12.364 231 H GLN 34 H GLN 34 10.497 10.234 -8.918 232 HA GLN 34 HA GLN 34 10.262 8.279 -7.030 233 HB2 GLN 34 1HB GLN 34 9.488 11.150 -7.110 234 HB3 GLN 34 2HB GLN 34 8.892 10.188 -5.763 235 HG2 GLN 34 1HG GLN 34 11.725 10.808 -6.512 236 HG3 GLN 34 2HG GLN 34 10.881 11.143 -5.001 237 HE21 GLN 34 1HE2 GLN 34 13.108 9.206 -6.421 238 HE22 GLN 34 2HE2 GLN 34 13.025 7.839 -5.367 239 H GLU 35 H GLU 35 7.608 9.921 -8.713 240 HA GLU 35 HA GLU 35 5.621 8.304 -7.363 241 HB2 GLU 35 1HB GLU 35 5.510 10.498 -9.413 242 HB3 GLU 35 2HB GLU 35 4.088 9.527 -9.058 243 HG2 GLU 35 1HG GLU 35 3.819 11.356 -7.681 244 HG3 GLU 35 2HG GLU 35 4.537 10.161 -6.604 245 H LEU 36 H LEU 36 4.330 6.735 -8.308 246 HA LEU 36 HA LEU 36 5.453 5.533 -10.737 247 HB2 LEU 36 1HB LEU 36 5.438 4.037 -8.884 248 HB3 LEU 36 2HB LEU 36 3.757 4.416 -8.517 249 HG LEU 36 HG LEU 36 3.381 3.407 -10.937 250 HD11 LEU 36 1HD1 LEU 36 5.726 3.052 -11.433 251 HD12 LEU 36 2HD1 LEU 36 4.887 1.505 -11.317 252 HD13 LEU 36 3HD1 LEU 36 5.904 2.058 -9.986 253 HD21 LEU 36 3HD2 LEU 36 2.276 2.533 -9.025 254 HD22 LEU 36 1HD2 LEU 36 3.781 1.887 -8.370 255 HD23 LEU 36 2HD2 LEU 36 3.074 1.176 -9.821 256 H ALA 37 H ALA 37 4.105 4.823 -12.428 257 HA ALA 37 HA ALA 37 1.623 6.361 -12.657 258 HB1 ALA 37 3HB ALA 37 1.857 6.257 -14.972 259 HB2 ALA 37 1HB ALA 37 3.516 6.421 -14.396 260 HB3 ALA 37 2HB ALA 37 2.909 4.843 -14.899 261 H LEU 38 H LEU 38 -0.039 5.242 -11.811 262 HA LEU 38 HA LEU 38 -0.263 2.431 -11.787 263 HB2 LEU 38 1HB LEU 38 -2.192 4.677 -11.335 264 HB3 LEU 38 2HB LEU 38 -2.744 3.003 -11.349 265 HG LEU 38 HG LEU 38 -0.602 4.028 -9.494 266 HD11 LEU 38 1HD1 LEU 38 -2.518 5.255 -8.888 267 HD12 LEU 38 2HD1 LEU 38 -2.458 3.886 -7.777 268 HD13 LEU 38 3HD1 LEU 38 -3.582 3.870 -9.137 269 HD21 LEU 38 3HD2 LEU 38 -2.313 1.667 -8.941 270 HD22 LEU 38 1HD2 LEU 38 -0.629 1.975 -8.513 271 HD23 LEU 38 2HD2 LEU 38 -1.047 1.498 -10.159 272 H ARG 39 H ARG 39 -2.012 1.180 -12.832 273 HA ARG 39 HA ARG 39 -2.504 2.128 -15.579 274 HB2 ARG 39 1HB ARG 39 -0.870 0.272 -15.471 275 HB3 ARG 39 2HB ARG 39 -2.077 -0.722 -14.667 276 HG2 ARG 39 1HG ARG 39 -2.293 -1.450 -16.819 277 HG3 ARG 39 2HG ARG 39 -3.503 -0.166 -16.793 278 HD2 ARG 39 1HD ARG 39 -2.325 0.223 -18.766 279 HD3 ARG 39 2HD ARG 39 -1.611 1.357 -17.620 280 HE ARG 39 HE ARG 39 -0.203 -1.124 -17.700 281 HH11 ARG 39 1HH1 ARG 39 -0.623 1.922 -19.334 282 HH12 ARG 39 2HH1 ARG 39 0.959 1.908 -20.042 283 HH21 ARG 39 1HH2 ARG 39 1.881 -1.153 -18.626 284 HH22 ARG 39 2HH2 ARG 39 2.382 0.159 -19.639 285 H ARG 40 H ARG 40 -4.512 1.749 -16.486 286 HA ARG 40 HA ARG 40 -6.705 1.628 -14.696 287 HB2 ARG 40 1HB ARG 40 -6.804 2.878 -16.799 288 HB3 ARG 40 2HB ARG 40 -6.647 1.381 -17.708 289 HG2 ARG 40 1HG ARG 40 -8.801 0.743 -17.302 290 HG3 ARG 40 2HG ARG 40 -8.891 1.627 -15.777 291 HD2 ARG 40 1HD ARG 40 -10.198 2.977 -17.067 292 HD3 ARG 40 2HD ARG 40 -8.626 3.708 -17.386 293 HE ARG 40 HE ARG 40 -8.764 2.983 -19.556 294 HH11 ARG 40 1HH1 ARG 40 -11.161 1.341 -17.638 295 HH12 ARG 40 2HH1 ARG 40 -11.947 0.619 -19.003 296 HH21 ARG 40 1HH2 ARG 40 -9.789 2.038 -21.361 297 HH22 ARG 40 2HH2 ARG 40 -11.165 1.015 -21.120 298 H ASN 41 H ASN 41 -7.968 -0.024 -14.065 299 HA ASN 41 HA ASN 41 -8.696 -2.149 -13.711 300 HB2 ASN 41 1HB ASN 41 -8.151 -2.119 -16.649 301 HB3 ASN 41 2HB ASN 41 -8.512 -3.659 -15.875 302 HD21 ASN 41 1HD2 ASN 41 -9.813 -0.585 -14.843 303 HD22 ASN 41 2HD2 ASN 41 -11.449 -0.907 -15.294 304 H GLU 42 H GLU 42 -6.281 -1.756 -12.663 305 HA GLU 42 HA GLU 42 -4.969 -4.340 -13.075 306 HB2 GLU 42 1HB GLU 42 -3.739 -1.652 -13.403 307 HB3 GLU 42 2HB GLU 42 -2.778 -2.886 -12.602 308 HG2 GLU 42 1HG GLU 42 -4.085 -3.349 -15.262 309 HG3 GLU 42 2HG GLU 42 -2.482 -2.632 -15.105 310 H GLU 43 H GLU 43 -4.085 -5.244 -11.243 311 HA GLU 43 HA GLU 43 -4.905 -4.005 -8.734 312 HB2 GLU 43 1HB GLU 43 -3.807 -6.768 -9.284 313 HB3 GLU 43 2HB GLU 43 -4.417 -6.200 -7.736 314 HG2 GLU 43 1HG GLU 43 -6.253 -7.298 -8.491 315 HG3 GLU 43 2HG GLU 43 -6.576 -5.697 -9.155 316 H TYR 44 H TYR 44 -3.460 -3.951 -6.895 317 HA TYR 44 HA TYR 44 -0.608 -4.099 -7.450 318 HB2 TYR 44 1HB TYR 44 -1.957 -1.544 -6.557 319 HB3 TYR 44 2HB TYR 44 -0.216 -1.805 -6.582 320 HD1 TYR 44 1HD TYR 44 -3.196 -1.865 -8.825 321 HD2 TYR 44 2HD TYR 44 0.998 -1.233 -8.478 322 HE1 TYR 44 1HE TYR 44 -3.122 -1.104 -11.163 323 HE2 TYR 44 2HE TYR 44 1.082 -0.470 -10.814 324 HH TYR 44 HH TYR 44 -0.271 0.334 -12.539 325 H CYS 45 H CYS 45 0.670 -4.310 -5.608 326 HA CYS 45 HA CYS 45 -0.787 -5.164 -3.240 327 HB2 CYS 45 1HB CYS 45 0.977 -6.620 -4.120 328 HB3 CYS 45 2HB CYS 45 2.158 -5.332 -3.915 329 HG CYS 45 HG CYS 45 1.966 -5.306 -1.119 330 H LEU 46 H LEU 46 -1.141 -3.835 -1.601 331 HA LEU 46 HA LEU 46 0.080 -1.264 -1.435 332 HB2 LEU 46 1HB LEU 46 -2.187 -1.550 -0.706 333 HB3 LEU 46 2HB LEU 46 -1.704 -2.781 0.460 334 HG LEU 46 HG LEU 46 -0.508 -1.060 1.751 335 HD11 LEU 46 1HD1 LEU 46 0.100 0.533 0.116 336 HD12 LEU 46 2HD1 LEU 46 -1.049 1.338 1.183 337 HD13 LEU 46 3HD1 LEU 46 -1.573 0.755 -0.397 338 HD21 LEU 46 3HD2 LEU 46 -2.401 -0.880 2.891 339 HD22 LEU 46 1HD2 LEU 46 -3.307 -1.386 1.464 340 HD23 LEU 46 2HD2 LEU 46 -2.991 0.326 1.747 341 H LEU 47 H LEU 47 2.003 -0.811 -0.612 342 HA LEU 47 HA LEU 47 3.317 -2.740 1.136 343 HB2 LEU 47 1HB LEU 47 4.290 -0.291 -0.316 344 HB3 LEU 47 2HB LEU 47 5.292 -1.200 0.814 345 HG LEU 47 HG LEU 47 4.050 -2.656 -1.468 346 HD11 LEU 47 1HD1 LEU 47 4.953 -1.258 -2.956 347 HD12 LEU 47 2HD1 LEU 47 6.502 -1.932 -2.449 348 HD13 LEU 47 3HD1 LEU 47 5.917 -0.431 -1.732 349 HD21 LEU 47 3HD2 LEU 47 5.254 -3.969 0.109 350 HD22 LEU 47 1HD2 LEU 47 6.618 -2.850 0.093 351 HD23 LEU 47 2HD2 LEU 47 6.263 -3.829 -1.331 352 H ASP 48 H ASP 48 3.145 0.824 1.093 353 HA ASP 48 HA ASP 48 2.629 0.758 3.986 354 HB2 ASP 48 1HB ASP 48 5.072 1.279 3.314 355 HB3 ASP 48 2HB ASP 48 4.439 2.829 2.769 356 H SER 49 H SER 49 0.809 1.790 4.431 357 HA SER 49 HA SER 49 -0.173 3.816 2.548 358 HB2 SER 49 1HB SER 49 -2.373 3.452 3.581 359 HB3 SER 49 2HB SER 49 -1.687 1.931 3.009 360 HG SER 49 HG SER 49 -1.470 1.254 5.016 361 H SER 50 H SER 50 1.907 4.322 4.555 362 HA SER 50 HA SER 50 1.232 5.524 6.873 363 HB2 SER 50 1HB SER 50 3.183 6.497 4.781 364 HB3 SER 50 2HB SER 50 3.068 7.207 6.391 365 HG SER 50 HG SER 50 3.912 5.439 7.255 366 H GLU 51 H GLU 51 1.253 7.259 3.753 367 HA GLU 51 HA GLU 51 -0.212 9.471 4.889 368 HB2 GLU 51 1HB GLU 51 1.044 8.856 2.261 369 HB3 GLU 51 2HB GLU 51 -0.249 10.046 2.285 370 HG2 GLU 51 1HG GLU 51 0.950 11.462 3.746 371 HG3 GLU 51 2HG GLU 51 2.138 10.208 4.098 372 H ILE 52 H ILE 52 -2.045 10.306 3.245 373 HA ILE 52 HA ILE 52 -3.966 8.082 3.037 374 HB ILE 52 HB ILE 52 -4.530 11.018 3.469 375 HG12 ILE 52 1HG1 ILE 52 -4.918 8.676 5.345 376 HG13 ILE 52 2HG1 ILE 52 -3.572 9.807 5.432 377 HG21 ILE 52 1HG2 ILE 52 -6.260 8.679 2.867 378 HG22 ILE 52 2HG2 ILE 52 -6.858 9.884 4.005 379 HG23 ILE 52 3HG2 ILE 52 -6.417 10.363 2.366 380 HD11 ILE 52 3HD1 ILE 52 -5.443 11.600 5.595 381 HD12 ILE 52 1HD1 ILE 52 -6.449 10.233 6.076 382 HD13 ILE 52 2HD1 ILE 52 -5.011 10.643 7.012 383 H HIS 53 H HIS 53 -3.064 11.185 1.546 384 HA HIS 53 HA HIS 53 -4.594 10.655 -0.828 385 HB2 HIS 53 1HB HIS 53 -2.439 12.743 -0.575 386 HB3 HIS 53 2HB HIS 53 -3.877 12.772 -1.592 387 HD1 HIS 53 1HD HIS 53 -6.183 13.172 -0.318 388 HD2 HIS 53 2HD HIS 53 -2.746 13.850 1.914 389 HE1 HIS 53 1HE HIS 53 -6.931 14.505 1.679 390 HE2 HIS 53 2HE HIS 53 -4.821 14.977 2.971 391 H TRP 54 H TRP 54 -1.272 10.277 0.192 392 HA TRP 54 HA TRP 54 -0.623 9.182 -2.466 393 HB2 TRP 54 1HB TRP 54 1.269 10.383 -0.432 394 HB3 TRP 54 2HB TRP 54 1.721 9.742 -2.009 395 HD1 TRP 54 HD TRP 54 0.855 12.907 -0.356 396 HE1 TRP 54 1HE TRP 54 0.390 14.751 -2.091 397 HE3 TRP 54 3HE TRP 54 0.454 10.000 -4.541 398 HZ2 TRP 54 2HZ TRP 54 -0.085 14.946 -4.866 399 HZ3 TRP 54 3HZ TRP 54 -0.007 11.093 -6.697 400 HH2 TRP 54 HH TRP 54 -0.271 13.515 -6.854 401 H TRP 55 H TRP 55 -0.787 7.035 -2.366 402 HA TRP 55 HA TRP 55 0.163 5.655 0.049 403 HB2 TRP 55 1HB TRP 55 -1.873 5.001 -2.039 404 HB3 TRP 55 2HB TRP 55 -1.055 3.676 -1.216 405 HD1 TRP 55 HD TRP 55 -1.304 6.309 1.268 406 HE1 TRP 55 1HE TRP 55 -3.345 5.974 2.800 407 HE3 TRP 55 3HE TRP 55 -3.843 2.846 -1.507 408 HZ2 TRP 55 2HZ TRP 55 -5.716 4.444 2.829 409 HZ3 TRP 55 3HZ TRP 55 -5.990 1.997 -0.655 410 HH2 TRP 55 HH TRP 55 -6.905 2.780 1.468 411 H ARG 56 H ARG 56 1.671 4.013 -0.066 412 HA ARG 56 HA ARG 56 3.254 3.966 -2.533 413 HB2 ARG 56 1HB ARG 56 4.191 4.488 -0.149 414 HB3 ARG 56 2HB ARG 56 4.147 2.742 0.052 415 HG2 ARG 56 1HG ARG 56 5.545 2.540 -2.001 416 HG3 ARG 56 2HG ARG 56 5.698 4.298 -2.001 417 HD2 ARG 56 1HD ARG 56 6.688 4.191 0.248 418 HD3 ARG 56 2HD ARG 56 6.571 2.432 0.202 419 HE ARG 56 HE ARG 56 8.001 3.235 -2.046 420 HH11 ARG 56 1HH1 ARG 56 8.334 3.289 1.419 421 HH12 ARG 56 2HH1 ARG 56 10.065 3.215 1.384 422 HH21 ARG 56 1HH2 ARG 56 10.279 3.138 -2.105 423 HH22 ARG 56 2HH2 ARG 56 11.170 3.130 -0.621 424 H VAL 57 H VAL 57 2.832 2.349 -3.877 425 HA VAL 57 HA VAL 57 2.399 -0.335 -2.754 426 HB VAL 57 HB VAL 57 0.722 -0.840 -4.416 427 HG11 VAL 57 1HG1 VAL 57 0.282 0.621 -2.227 428 HG12 VAL 57 2HG1 VAL 57 -0.309 1.758 -3.440 429 HG13 VAL 57 3HG1 VAL 57 -1.010 0.143 -3.328 430 HG21 VAL 57 3HG2 VAL 57 0.781 2.019 -5.337 431 HG22 VAL 57 1HG2 VAL 57 1.741 0.763 -6.119 432 HG23 VAL 57 2HG2 VAL 57 -0.018 0.638 -6.086 433 H GLN 58 H GLN 58 2.714 -2.065 -4.440 434 HA GLN 58 HA GLN 58 4.880 -1.293 -6.283 435 HB2 GLN 58 1HB GLN 58 5.759 -2.606 -4.435 436 HB3 GLN 58 2HB GLN 58 4.553 -3.855 -4.714 437 HG2 GLN 58 1HG GLN 58 5.545 -4.318 -6.902 438 HG3 GLN 58 2HG GLN 58 6.763 -3.078 -6.604 439 HE21 GLN 58 1HE2 GLN 58 7.542 -3.490 -4.090 440 HE22 GLN 58 2HE2 GLN 58 8.223 -5.066 -3.895 441 H ASP 59 H ASP 59 4.578 -1.737 -8.366 442 HA ASP 59 HA ASP 59 2.139 -2.915 -9.261 443 HB2 ASP 59 1HB ASP 59 3.311 -2.705 -11.548 444 HB3 ASP 59 2HB ASP 59 2.962 -1.223 -10.662 445 H ARG 60 H ARG 60 2.488 -4.523 -11.278 446 HA ARG 60 HA ARG 60 3.320 -6.980 -10.090 447 HB2 ARG 60 1HB ARG 60 2.632 -8.005 -12.193 448 HB3 ARG 60 2HB ARG 60 1.420 -6.855 -11.643 449 HG2 ARG 60 1HG ARG 60 2.121 -5.238 -13.256 450 HG3 ARG 60 2HG ARG 60 3.512 -6.225 -13.711 451 HD2 ARG 60 1HD ARG 60 2.131 -7.875 -14.702 452 HD3 ARG 60 2HD ARG 60 0.674 -7.184 -13.989 453 HE ARG 60 HE ARG 60 1.773 -5.216 -15.590 454 HH11 ARG 60 1HH1 ARG 60 0.495 -8.429 -15.992 455 HH12 ARG 60 2HH1 ARG 60 -0.058 -8.148 -17.610 456 HH21 ARG 60 1HH2 ARG 60 1.050 -4.833 -17.720 457 HH22 ARG 60 2HH2 ARG 60 0.259 -6.103 -18.592 458 H ASN 61 H ASN 61 4.832 -4.628 -12.109 459 HA ASN 61 HA ASN 61 6.830 -6.317 -13.236 460 HB2 ASN 61 1HB ASN 61 6.533 -3.336 -12.948 461 HB3 ASN 61 2HB ASN 61 8.007 -4.046 -13.602 462 HD21 ASN 61 1HD2 ASN 61 7.517 -2.903 -15.545 463 HD22 ASN 61 2HD2 ASN 61 6.369 -3.545 -16.666 464 H GLY 62 H GLY 62 6.680 -4.223 -10.388 465 HA2 GLY 62 1HA GLY 62 7.936 -5.220 -8.445 466 HA3 GLY 62 2HA GLY 62 9.297 -5.311 -9.553 467 H HIS 63 H HIS 63 7.461 -2.559 -10.130 468 HA HIS 63 HA HIS 63 9.468 -0.912 -8.774 469 HB2 HIS 63 1HB HIS 63 7.438 0.214 -10.661 470 HB3 HIS 63 2HB HIS 63 9.094 0.734 -10.363 471 HD1 HIS 63 1HD HIS 63 7.606 -0.100 -13.158 472 HD2 HIS 63 2HD HIS 63 10.521 -2.193 -11.065 473 HE1 HIS 63 1HE HIS 63 8.712 -1.591 -14.855 474 HE2 HIS 63 2HE HIS 63 10.414 -2.910 -13.548 475 H GLU 64 H GLU 64 8.618 1.254 -7.959 476 HA GLU 64 HA GLU 64 5.933 1.075 -6.821 477 HB2 GLU 64 1HB GLU 64 8.367 1.638 -5.120 478 HB3 GLU 64 2HB GLU 64 6.698 1.565 -4.573 479 HG2 GLU 64 1HG GLU 64 6.587 -0.764 -4.886 480 HG3 GLU 64 2HG GLU 64 8.080 -0.786 -5.823 481 H GLY 65 H GLY 65 5.470 3.184 -5.540 482 HA2 GLY 65 1HA GLY 65 6.811 5.559 -5.900 483 HA3 GLY 65 2HA GLY 65 5.865 5.349 -7.366 484 H TYR 66 H TYR 66 5.586 7.440 -5.414 485 HA TYR 66 HA TYR 66 3.352 6.927 -3.731 486 HB2 TYR 66 1HB TYR 66 4.633 9.478 -4.709 487 HB3 TYR 66 2HB TYR 66 3.251 9.466 -3.619 488 HD1 TYR 66 1HD TYR 66 3.808 7.379 -1.729 489 HD2 TYR 66 2HD TYR 66 6.510 10.127 -3.532 490 HE1 TYR 66 1HE TYR 66 5.323 7.142 0.194 491 HE2 TYR 66 2HE TYR 66 8.033 9.897 -1.614 492 HH TYR 66 HH TYR 66 7.113 8.143 1.263 493 H VAL 67 H VAL 67 1.546 6.203 -4.720 494 HA VAL 67 HA VAL 67 0.518 7.711 -7.026 495 HB VAL 67 HB VAL 67 -1.083 5.718 -7.202 496 HG11 VAL 67 1HG1 VAL 67 0.454 5.783 -8.901 497 HG12 VAL 67 2HG1 VAL 67 1.835 5.725 -7.804 498 HG13 VAL 67 3HG1 VAL 67 0.901 4.264 -8.127 499 HG21 VAL 67 3HG2 VAL 67 0.006 5.019 -4.792 500 HG22 VAL 67 1HG2 VAL 67 -0.875 3.932 -5.866 501 HG23 VAL 67 2HG2 VAL 67 0.888 3.983 -5.914 502 HA PRO 68 HA PRO 68 -2.758 9.443 -4.665 503 HB2 PRO 68 1HB PRO 68 -4.676 9.660 -6.575 504 HB3 PRO 68 2HB PRO 68 -3.251 10.704 -6.521 505 HG2 PRO 68 1HG PRO 68 -3.759 8.276 -8.198 506 HG3 PRO 68 2HG PRO 68 -3.029 9.824 -8.663 507 HD2 PRO 68 1HD PRO 68 -1.551 7.618 -8.131 508 HD3 PRO 68 2HD PRO 68 -0.972 9.261 -7.787 509 H SER 69 H SER 69 -3.474 7.983 -3.170 510 HA SER 69 HA SER 69 -4.526 5.515 -3.404 511 HB2 SER 69 1HB SER 69 -5.672 5.844 -1.321 512 HB3 SER 69 2HB SER 69 -4.204 6.819 -1.267 513 HG SER 69 HG SER 69 -5.472 8.438 -0.890 514 H SER 70 H SER 70 -6.353 8.529 -3.813 515 HA SER 70 HA SER 70 -8.904 7.768 -4.070 516 HB2 SER 70 1HB SER 70 -7.340 9.602 -5.888 517 HB3 SER 70 2HB SER 70 -9.089 9.412 -6.015 518 HG SER 70 HG SER 70 -9.272 10.147 -3.885 519 H TYR 71 H TYR 71 -6.478 7.348 -6.635 520 HA TYR 71 HA TYR 71 -8.205 6.096 -8.479 521 HB2 TYR 71 1HB TYR 71 -5.214 6.161 -8.161 522 HB3 TYR 71 2HB TYR 71 -5.974 5.198 -9.423 523 HD1 TYR 71 1HD TYR 71 -7.010 8.541 -8.171 524 HD2 TYR 71 2HD TYR 71 -5.331 6.311 -11.382 525 HE1 TYR 71 1HE TYR 71 -7.132 10.533 -9.609 526 HE2 TYR 71 2HE TYR 71 -5.448 8.297 -12.829 527 HH TYR 71 HH TYR 71 -7.266 10.765 -12.421 528 H LEU 72 H LEU 72 -5.947 4.772 -6.081 529 HA LEU 72 HA LEU 72 -6.479 2.052 -6.709 530 HB2 LEU 72 1HB LEU 72 -5.303 3.350 -4.259 531 HB3 LEU 72 2HB LEU 72 -5.384 1.607 -4.506 532 HG LEU 72 HG LEU 72 -3.796 3.592 -6.131 533 HD11 LEU 72 1HD1 LEU 72 -2.542 3.252 -4.237 534 HD12 LEU 72 2HD1 LEU 72 -1.961 1.945 -5.268 535 HD13 LEU 72 3HD1 LEU 72 -3.141 1.610 -4.001 536 HD21 LEU 72 3HD2 LEU 72 -2.928 1.176 -6.937 537 HD22 LEU 72 1HD2 LEU 72 -4.172 2.099 -7.780 538 HD23 LEU 72 2HD2 LEU 72 -4.632 0.814 -6.662 539 H VAL 73 H VAL 73 -7.860 0.593 -5.787 540 HA VAL 73 HA VAL 73 -9.712 1.587 -3.729 541 HB VAL 73 HB VAL 73 -11.619 0.713 -4.822 542 HG11 VAL 73 1HG1 VAL 73 -10.304 1.811 -7.239 543 HG12 VAL 73 2HG1 VAL 73 -11.840 2.245 -6.485 544 HG13 VAL 73 3HG1 VAL 73 -10.322 2.827 -5.798 545 HG21 VAL 73 3HG2 VAL 73 -10.565 -1.364 -5.635 546 HG22 VAL 73 1HG2 VAL 73 -11.555 -0.583 -6.868 547 HG23 VAL 73 2HG2 VAL 73 -9.798 -0.446 -6.931 548 H GLU 74 H GLU 74 -10.225 0.160 -2.150 549 HA GLU 74 HA GLU 74 -8.635 -2.163 -1.834 550 HB2 GLU 74 1HB GLU 74 -9.700 -0.659 -0.027 551 HB3 GLU 74 2HB GLU 74 -11.150 -1.620 -0.278 552 HG2 GLU 74 1HG GLU 74 -9.479 -3.620 0.087 553 HG3 GLU 74 2HG GLU 74 -8.551 -2.385 0.935 554 H LYS 75 H LYS 75 -8.899 -3.956 -2.981 555 HA LYS 75 HA LYS 75 -10.947 -4.747 -4.561 556 HB2 LYS 75 1HB LYS 75 -8.898 -5.989 -4.547 557 HB3 LYS 75 2HB LYS 75 -9.131 -6.465 -2.870 558 HG2 LYS 75 1HG LYS 75 -9.787 -8.382 -3.885 559 HG3 LYS 75 2HG LYS 75 -11.337 -7.537 -3.866 560 HD2 LYS 75 1HD LYS 75 -9.532 -7.116 -6.193 561 HD3 LYS 75 2HD LYS 75 -10.388 -8.655 -6.069 562 HE2 LYS 75 1HE LYS 75 -11.880 -6.090 -5.716 563 HE3 LYS 75 2HE LYS 75 -11.471 -6.646 -7.338 564 HZ1 LYS 75 3HZ LYS 75 -12.786 -8.476 -5.443 565 HZ2 LYS 75 1HZ LYS 75 -12.804 -8.496 -7.135 566 HZ3 LYS 75 2HZ LYS 75 -13.706 -7.339 -6.294 567 H SER 76 H SER 76 -13.045 -4.653 -4.032 568 HA SER 76 HA SER 76 -14.055 -5.233 -1.439 569 HB2 SER 76 1HB SER 76 -16.255 -4.924 -2.426 570 HB3 SER 76 2HB SER 76 -15.163 -3.683 -3.041 571 HG SER 76 HG SER 76 -15.434 -6.071 -4.478 572 HA PRO 77 HA PRO 77 -14.317 -9.631 -1.691 573 HB2 PRO 77 1HB PRO 77 -16.067 -10.021 0.348 574 HB3 PRO 77 2HB PRO 77 -14.370 -9.597 0.606 575 HG2 PRO 77 1HG PRO 77 -16.790 -7.836 0.655 576 HG3 PRO 77 2HG PRO 77 -15.401 -7.859 1.756 577 HD2 PRO 77 1HD PRO 77 -15.652 -6.040 -0.234 578 HD3 PRO 77 2HD PRO 77 -14.076 -6.647 0.312 579 H ASN 78 H ASN 78 -16.954 -7.491 -2.182 580 HA ASN 78 HA ASN 78 -19.152 -9.111 -2.448 581 HB2 ASN 78 1HB ASN 78 -18.266 -6.680 -3.981 582 HB3 ASN 78 2HB ASN 78 -19.776 -7.494 -4.377 583 HD21 ASN 78 1HD2 ASN 78 -21.530 -7.022 -3.234 584 HD22 ASN 78 2HD2 ASN 78 -21.555 -6.077 -1.787 585 H ASN 79 H ASN 79 -17.098 -8.175 -5.213 586 HA ASN 79 HA ASN 79 -17.548 -10.857 -6.339 587 HB2 ASN 79 1HB ASN 79 -18.973 -9.461 -7.623 588 HB3 ASN 79 2HB ASN 79 -17.762 -8.186 -7.722 589 HD21 ASN 79 1HD2 ASN 79 -18.134 -8.252 -10.006 590 HD22 ASN 79 2HD2 ASN 79 -17.352 -9.451 -10.974 591 H LEU 80 H LEU 80 -15.720 -11.900 -6.746 592 HA LEU 80 HA LEU 80 -13.196 -10.475 -6.654 593 HB2 LEU 80 1HB LEU 80 -14.064 -13.307 -6.509 594 HB3 LEU 80 2HB LEU 80 -12.436 -12.988 -7.102 595 HG LEU 80 HG LEU 80 -12.309 -13.475 -4.766 596 HD11 LEU 80 1HD1 LEU 80 -12.066 -10.560 -4.526 597 HD12 LEU 80 2HD1 LEU 80 -11.228 -11.269 -5.906 598 HD13 LEU 80 3HD1 LEU 80 -10.867 -11.828 -4.273 599 HD21 LEU 80 3HD2 LEU 80 -14.772 -11.991 -4.667 600 HD22 LEU 80 1HD2 LEU 80 -13.623 -11.366 -3.483 601 HD23 LEU 80 2HD2 LEU 80 -14.065 -13.074 -3.467 602 H GLU 81 H GLU 81 -12.117 -9.808 -8.383 603 HA GLU 81 HA GLU 81 -12.772 -11.014 -10.991 604 HB2 GLU 81 1HB GLU 81 -11.919 -8.183 -10.362 605 HB3 GLU 81 2HB GLU 81 -12.118 -8.828 -11.985 606 HG2 GLU 81 1HG GLU 81 -14.512 -9.361 -11.299 607 HG3 GLU 81 2HG GLU 81 -14.218 -8.316 -9.910 608 H THR 82 H THR 82 -11.174 -12.505 -11.194 609 HA THR 82 HA THR 82 -8.408 -11.726 -10.673 610 HB THR 82 HB THR 82 -9.564 -14.412 -11.448 611 HG1 THR 82 1HG THR 82 -9.637 -14.801 -9.342 612 HG21 THR 82 3HG2 THR 82 -6.767 -13.643 -10.607 613 HG22 THR 82 1HG2 THR 82 -7.261 -14.208 -12.202 614 HG23 THR 82 2HG2 THR 82 -7.349 -15.294 -10.815 615 H TYR 83 H TYR 83 -6.829 -11.609 -12.221 616 HA TYR 83 HA TYR 83 -7.608 -12.084 -15.011 617 HB2 TYR 83 1HB TYR 83 -6.230 -9.591 -13.990 618 HB3 TYR 83 2HB TYR 83 -6.510 -9.977 -15.684 619 HD1 TYR 83 1HD TYR 83 -9.097 -10.585 -16.180 620 HD2 TYR 83 2HD TYR 83 -7.692 -8.102 -13.023 621 HE1 TYR 83 1HE TYR 83 -11.297 -9.490 -16.070 622 HE2 TYR 83 2HE TYR 83 -9.889 -7.002 -12.904 623 HH TYR 83 HH TYR 83 -12.000 -7.020 -13.626 624 H GLU 84 H GLU 84 -6.180 -13.327 -16.014 625 HA GLU 84 HA GLU 84 -3.457 -13.504 -14.911 626 HB2 GLU 84 1HB GLU 84 -3.513 -15.702 -16.351 627 HB3 GLU 84 2HB GLU 84 -4.249 -15.658 -14.755 628 HG2 GLU 84 1HG GLU 84 -6.437 -15.349 -15.733 629 HG3 GLU 84 2HG GLU 84 -5.731 -15.279 -17.347 630 H TRP 85 H TRP 85 -2.326 -12.005 -16.043 631 HA TRP 85 HA TRP 85 -2.689 -11.493 -18.813 632 HB2 TRP 85 1HB TRP 85 -0.401 -10.810 -16.956 633 HB3 TRP 85 2HB TRP 85 -0.566 -10.199 -18.600 634 HD1 TRP 85 HD TRP 85 -1.842 -9.671 -15.077 635 HE1 TRP 85 1HE TRP 85 -3.351 -7.587 -15.025 636 HE3 TRP 85 3HE TRP 85 -2.245 -8.837 -20.104 637 HZ2 TRP 85 2HZ TRP 85 -4.553 -5.822 -16.872 638 HZ3 TRP 85 3HZ TRP 85 -3.594 -6.930 -20.879 639 HH2 TRP 85 HH TRP 85 -4.723 -5.455 -19.295 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -24.256 -31.813 -36.660 2 HA2 GLY 1 1HA GLY 1 -25.649 -30.725 -34.449 3 HA3 GLY 1 2HA GLY 1 -24.785 -32.171 -33.948 4 H SER 2 H SER 2 -24.567 -28.847 -34.562 5 HA SER 2 HA SER 2 -21.627 -28.958 -34.370 6 HB2 SER 2 1HB SER 2 -23.432 -26.947 -35.716 7 HB3 SER 2 2HB SER 2 -21.741 -26.605 -35.353 8 HG SER 2 HG SER 2 -22.797 -28.058 -37.370 9 H SER 3 H SER 3 -21.027 -28.591 -32.341 10 HA SER 3 HA SER 3 -21.923 -26.179 -31.007 11 HB2 SER 3 1HB SER 3 -22.606 -28.932 -30.043 12 HB3 SER 3 2HB SER 3 -22.275 -27.663 -28.863 13 HG SER 3 HG SER 3 -24.107 -26.735 -29.348 14 H GLY 4 H GLY 4 -20.073 -25.240 -30.459 15 HA2 GLY 4 1HA GLY 4 -17.684 -26.806 -29.993 16 HA3 GLY 4 2HA GLY 4 -17.799 -25.052 -30.010 17 H SER 5 H SER 5 -17.116 -27.601 -28.091 18 HA SER 5 HA SER 5 -17.862 -26.108 -25.666 19 HB2 SER 5 1HB SER 5 -18.232 -29.013 -26.289 20 HB3 SER 5 2HB SER 5 -17.898 -28.532 -24.626 21 HG SER 5 HG SER 5 -20.175 -28.630 -25.252 22 H SER 6 H SER 6 -15.435 -25.791 -26.968 23 HA SER 6 HA SER 6 -13.513 -27.395 -25.445 24 HB2 SER 6 1HB SER 6 -13.117 -25.497 -27.770 25 HB3 SER 6 2HB SER 6 -11.818 -26.372 -26.960 26 HG SER 6 HG SER 6 -13.109 -28.314 -27.515 27 H GLY 7 H GLY 7 -12.689 -26.616 -23.627 28 HA2 GLY 7 1HA GLY 7 -11.358 -24.418 -23.033 29 HA3 GLY 7 2HA GLY 7 -12.991 -23.769 -23.030 30 H GLU 8 H GLU 8 -11.205 -26.552 -21.690 31 HA GLU 8 HA GLU 8 -12.614 -26.079 -19.145 32 HB2 GLU 8 1HB GLU 8 -11.740 -28.732 -20.303 33 HB3 GLU 8 2HB GLU 8 -12.477 -28.505 -18.723 34 HG2 GLU 8 1HG GLU 8 -13.913 -27.533 -21.143 35 HG3 GLU 8 2HG GLU 8 -13.904 -29.258 -20.779 36 H ASP 9 H ASP 9 -11.198 -25.181 -17.797 37 HA ASP 9 HA ASP 9 -8.906 -26.575 -16.911 38 HB2 ASP 9 1HB ASP 9 -8.518 -24.454 -18.964 39 HB3 ASP 9 2HB ASP 9 -7.380 -24.502 -17.620 40 H ASN 10 H ASN 10 -8.604 -26.019 -14.855 41 HA ASN 10 HA ASN 10 -9.981 -23.692 -13.808 42 HB2 ASN 10 1HB ASN 10 -9.944 -26.024 -12.730 43 HB3 ASN 10 2HB ASN 10 -8.310 -25.624 -12.210 44 HD21 ASN 10 1HD2 ASN 10 -8.053 -24.493 -10.404 45 HD22 ASN 10 2HD2 ASN 10 -9.321 -23.722 -9.520 46 H ARG 11 H ARG 11 -9.036 -21.782 -13.612 47 HA ARG 11 HA ARG 11 -6.128 -21.591 -13.711 48 HB2 ARG 11 1HB ARG 11 -8.384 -19.655 -14.092 49 HB3 ARG 11 2HB ARG 11 -6.772 -19.053 -13.728 50 HG2 ARG 11 1HG ARG 11 -7.312 -20.938 -16.001 51 HG3 ARG 11 2HG ARG 11 -7.416 -19.185 -16.169 52 HD2 ARG 11 1HD ARG 11 -5.117 -18.914 -15.626 53 HD3 ARG 11 2HD ARG 11 -4.974 -20.597 -15.120 54 HE ARG 11 HE ARG 11 -5.754 -20.316 -17.862 55 HH11 ARG 11 1HH1 ARG 11 -3.051 -20.350 -15.669 56 HH12 ARG 11 2HH1 ARG 11 -1.909 -20.835 -16.878 57 HH21 ARG 11 1HH2 ARG 11 -4.260 -20.955 -19.463 58 HH22 ARG 11 2HH2 ARG 11 -2.597 -21.178 -19.036 59 H ARG 12 H ARG 12 -5.109 -19.885 -12.282 60 HA ARG 12 HA ARG 12 -6.248 -20.058 -9.569 61 HB2 ARG 12 1HB ARG 12 -3.494 -20.507 -10.588 62 HB3 ARG 12 2HB ARG 12 -3.646 -19.689 -9.038 63 HG2 ARG 12 1HG ARG 12 -3.385 -22.019 -8.626 64 HG3 ARG 12 2HG ARG 12 -5.054 -21.584 -8.251 65 HD2 ARG 12 1HD ARG 12 -5.441 -23.461 -9.480 66 HD3 ARG 12 2HD ARG 12 -5.406 -22.277 -10.786 67 HE ARG 12 HE ARG 12 -3.400 -24.296 -10.200 68 HH11 ARG 12 1HH1 ARG 12 -4.288 -21.457 -12.008 69 HH12 ARG 12 2HH1 ARG 12 -3.091 -21.705 -13.236 70 HH21 ARG 12 1HH2 ARG 12 -1.820 -24.634 -11.810 71 HH22 ARG 12 2HH2 ARG 12 -1.688 -23.513 -13.123 72 HA PRO 13 HA PRO 13 -6.180 -15.674 -9.333 73 HB2 PRO 13 1HB PRO 13 -5.725 -15.312 -6.681 74 HB3 PRO 13 2HB PRO 13 -7.267 -15.891 -7.320 75 HG2 PRO 13 1HG PRO 13 -5.010 -17.448 -6.120 76 HG3 PRO 13 2HG PRO 13 -6.755 -17.628 -5.862 77 HD2 PRO 13 1HD PRO 13 -5.351 -19.252 -7.513 78 HD3 PRO 13 2HD PRO 13 -7.048 -18.821 -7.812 79 H LEU 14 H LEU 14 -4.828 -13.840 -8.977 80 HA LEU 14 HA LEU 14 -2.017 -14.436 -9.288 81 HB2 LEU 14 1HB LEU 14 -3.373 -11.749 -9.172 82 HB3 LEU 14 2HB LEU 14 -1.754 -12.094 -9.776 83 HG LEU 14 HG LEU 14 -4.100 -13.379 -11.099 84 HD11 LEU 14 1HD1 LEU 14 -4.428 -10.829 -10.750 85 HD12 LEU 14 2HD1 LEU 14 -4.672 -11.526 -12.351 86 HD13 LEU 14 3HD1 LEU 14 -3.172 -10.678 -11.978 87 HD21 LEU 14 3HD2 LEU 14 -2.645 -13.793 -12.766 88 HD22 LEU 14 1HD2 LEU 14 -1.433 -13.541 -11.509 89 HD23 LEU 14 2HD2 LEU 14 -1.851 -12.225 -12.606 90 H TRP 15 H TRP 15 -3.896 -12.314 -7.120 91 HA TRP 15 HA TRP 15 -1.673 -12.386 -5.212 92 HB2 TRP 15 1HB TRP 15 -4.110 -10.684 -4.838 93 HB3 TRP 15 2HB TRP 15 -2.451 -10.383 -4.331 94 HD1 TRP 15 HD TRP 15 -4.584 -10.388 -7.558 95 HE1 TRP 15 1HE TRP 15 -3.535 -8.715 -9.209 96 HE3 TRP 15 3HE TRP 15 -0.423 -9.105 -4.880 97 HZ2 TRP 15 2HZ TRP 15 -1.246 -7.070 -9.357 98 HZ3 TRP 15 3HZ TRP 15 1.146 -7.475 -5.847 99 HH2 TRP 15 HH TRP 15 0.742 -6.480 -8.039 100 H GLU 16 H GLU 16 -2.581 -12.177 -2.822 101 HA GLU 16 HA GLU 16 -4.353 -14.494 -2.453 102 HB2 GLU 16 1HB GLU 16 -2.198 -13.299 -0.718 103 HB3 GLU 16 2HB GLU 16 -3.357 -14.467 -0.100 104 HG2 GLU 16 1HG GLU 16 -2.610 -16.039 -1.888 105 HG3 GLU 16 2HG GLU 16 -1.339 -14.884 -2.289 106 HA PRO 17 HA PRO 17 -7.509 -12.066 -0.609 107 HB2 PRO 17 1HB PRO 17 -8.476 -13.782 1.260 108 HB3 PRO 17 2HB PRO 17 -8.750 -13.995 -0.473 109 HG2 PRO 17 1HG PRO 17 -6.738 -15.320 1.304 110 HG3 PRO 17 2HG PRO 17 -7.749 -16.032 0.033 111 HD2 PRO 17 1HD PRO 17 -5.144 -15.404 -0.358 112 HD3 PRO 17 2HD PRO 17 -6.353 -15.313 -1.654 113 H GLU 18 H GLU 18 -4.934 -13.324 1.346 114 HA GLU 18 HA GLU 18 -5.683 -11.882 3.727 115 HB2 GLU 18 1HB GLU 18 -3.169 -13.377 2.970 116 HB3 GLU 18 2HB GLU 18 -3.421 -12.617 4.535 117 HG2 GLU 18 1HG GLU 18 -5.578 -14.068 4.589 118 HG3 GLU 18 2HG GLU 18 -4.742 -15.019 3.363 119 H GLU 19 H GLU 19 -3.269 -11.533 1.157 120 HA GLU 19 HA GLU 19 -2.121 -9.159 2.263 121 HB2 GLU 19 1HB GLU 19 -1.933 -10.339 -0.514 122 HB3 GLU 19 2HB GLU 19 -0.970 -8.988 0.068 123 HG2 GLU 19 1HG GLU 19 -0.881 -11.853 0.943 124 HG3 GLU 19 2HG GLU 19 0.407 -10.877 0.241 125 H THR 20 H THR 20 -2.632 -7.075 1.924 126 HA THR 20 HA THR 20 -5.166 -6.373 0.920 127 HB THR 20 HB THR 20 -2.829 -4.497 1.299 128 HG1 THR 20 1HG THR 20 -4.795 -5.191 3.235 129 HG21 THR 20 3HG2 THR 20 -4.315 -2.976 0.616 130 HG22 THR 20 1HG2 THR 20 -5.203 -3.292 2.106 131 HG23 THR 20 2HG2 THR 20 -5.627 -4.154 0.627 132 H VAL 21 H VAL 21 -5.781 -6.365 -1.134 133 HA VAL 21 HA VAL 21 -3.825 -5.552 -3.186 134 HB VAL 21 HB VAL 21 -6.141 -7.470 -3.481 135 HG11 VAL 21 1HG1 VAL 21 -5.165 -5.830 -5.422 136 HG12 VAL 21 2HG1 VAL 21 -4.164 -7.268 -5.635 137 HG13 VAL 21 3HG1 VAL 21 -5.921 -7.396 -5.713 138 HG21 VAL 21 3HG2 VAL 21 -3.480 -7.872 -2.603 139 HG22 VAL 21 1HG2 VAL 21 -4.719 -9.083 -2.934 140 HG23 VAL 21 2HG2 VAL 21 -3.620 -8.572 -4.215 141 H VAL 22 H VAL 22 -4.287 -3.753 -4.259 142 HA VAL 22 HA VAL 22 -7.073 -2.787 -4.243 143 HB VAL 22 HB VAL 22 -6.031 -0.500 -4.595 144 HG11 VAL 22 1HG1 VAL 22 -5.312 -1.790 -1.972 145 HG12 VAL 22 2HG1 VAL 22 -5.772 -0.112 -2.268 146 HG13 VAL 22 3HG1 VAL 22 -6.967 -1.398 -2.437 147 HG21 VAL 22 3HG2 VAL 22 -3.542 -1.717 -3.448 148 HG22 VAL 22 1HG2 VAL 22 -3.775 -1.578 -5.191 149 HG23 VAL 22 2HG2 VAL 22 -3.763 -0.130 -4.185 150 H ILE 23 H ILE 23 -7.577 -1.301 -6.105 151 HA ILE 23 HA ILE 23 -6.167 -2.101 -8.558 152 HB ILE 23 HB ILE 23 -9.162 -1.837 -8.465 153 HG12 ILE 23 1HG1 ILE 23 -8.908 -4.470 -8.678 154 HG13 ILE 23 2HG1 ILE 23 -7.429 -4.168 -7.774 155 HG21 ILE 23 1HG2 ILE 23 -7.682 -1.709 -10.603 156 HG22 ILE 23 2HG2 ILE 23 -7.584 -3.459 -10.413 157 HG23 ILE 23 3HG2 ILE 23 -9.154 -2.681 -10.613 158 HD11 ILE 23 3HD1 ILE 23 -9.397 -4.764 -6.380 159 HD12 ILE 23 1HD1 ILE 23 -8.648 -3.223 -5.960 160 HD13 ILE 23 2HD1 ILE 23 -10.149 -3.251 -6.887 161 H ALA 24 H ALA 24 -6.110 -0.577 -10.201 162 HA ALA 24 HA ALA 24 -6.651 2.155 -9.344 163 HB1 ALA 24 3HB ALA 24 -5.150 1.081 -11.728 164 HB2 ALA 24 1HB ALA 24 -5.331 2.791 -11.335 165 HB3 ALA 24 2HB ALA 24 -4.454 1.722 -10.240 166 H LEU 25 H LEU 25 -8.633 2.899 -9.737 167 HA LEU 25 HA LEU 25 -10.473 1.884 -11.552 168 HB2 LEU 25 1HB LEU 25 -10.277 4.710 -10.522 169 HB3 LEU 25 2HB LEU 25 -11.705 3.971 -11.243 170 HG LEU 25 HG LEU 25 -10.473 2.831 -8.758 171 HD11 LEU 25 1HD1 LEU 25 -10.913 4.729 -7.677 172 HD12 LEU 25 2HD1 LEU 25 -12.615 4.329 -7.903 173 HD13 LEU 25 3HD1 LEU 25 -11.803 5.402 -9.043 174 HD21 LEU 25 3HD2 LEU 25 -13.332 2.887 -9.704 175 HD22 LEU 25 1HD2 LEU 25 -12.638 1.908 -8.411 176 HD23 LEU 25 2HD2 LEU 25 -12.200 1.590 -10.090 177 H TYR 26 H TYR 26 -8.131 4.503 -11.942 178 HA TYR 26 HA TYR 26 -8.656 4.426 -14.840 179 HB2 TYR 26 1HB TYR 26 -7.668 6.926 -13.521 180 HB3 TYR 26 2HB TYR 26 -8.557 6.738 -15.028 181 HD1 TYR 26 1HD TYR 26 -10.992 6.409 -15.002 182 HD2 TYR 26 2HD TYR 26 -8.813 7.096 -11.413 183 HE1 TYR 26 1HE TYR 26 -13.092 6.938 -13.835 184 HE2 TYR 26 2HE TYR 26 -10.906 7.625 -10.236 185 HH TYR 26 HH TYR 26 -13.529 6.887 -10.722 186 H ASP 27 H ASP 27 -6.814 5.095 -16.174 187 HA ASP 27 HA ASP 27 -4.380 3.889 -15.204 188 HB2 ASP 27 1HB ASP 27 -5.170 3.497 -17.509 189 HB3 ASP 27 2HB ASP 27 -4.970 5.212 -17.861 190 H TYR 28 H TYR 28 -3.264 5.107 -13.791 191 HA TYR 28 HA TYR 28 -2.978 7.968 -14.208 192 HB2 TYR 28 1HB TYR 28 -3.377 7.111 -11.937 193 HB3 TYR 28 2HB TYR 28 -1.883 6.185 -12.021 194 HD1 TYR 28 2HD TYR 28 -3.251 9.630 -11.994 195 HD2 TYR 28 1HD TYR 28 0.190 7.179 -11.489 196 HE1 TYR 28 2HE TYR 28 -2.014 11.560 -11.104 197 HE2 TYR 28 1HE TYR 28 1.437 9.103 -10.598 198 HH TYR 28 HH TYR 28 0.663 12.146 -11.009 199 H GLN 29 H GLN 29 -1.094 9.023 -14.703 200 HA GLN 29 HA GLN 29 1.266 7.372 -15.291 201 HB2 GLN 29 1HB GLN 29 1.642 8.798 -17.322 202 HB3 GLN 29 2HB GLN 29 0.252 7.725 -17.424 203 HG2 GLN 29 1HG GLN 29 -0.688 9.620 -18.234 204 HG3 GLN 29 2HG GLN 29 -1.011 9.858 -16.517 205 HE21 GLN 29 1HE2 GLN 29 -1.155 12.090 -17.675 206 HE22 GLN 29 2HE2 GLN 29 0.278 13.049 -17.572 207 H THR 30 H THR 30 3.279 8.470 -15.202 208 HA THR 30 HA THR 30 3.513 11.215 -14.522 209 HB THR 30 HB THR 30 2.596 10.388 -12.373 210 HG1 THR 30 1HG THR 30 4.550 11.146 -11.122 211 HG21 THR 30 3HG2 THR 30 5.161 8.809 -12.171 212 HG22 THR 30 1HG2 THR 30 3.582 8.106 -12.520 213 HG23 THR 30 2HG2 THR 30 3.872 8.898 -10.971 214 H ASN 31 H ASN 31 5.606 11.917 -14.679 215 HA ASN 31 HA ASN 31 7.620 9.843 -15.242 216 HB2 ASN 31 1HB ASN 31 6.835 11.590 -17.040 217 HB3 ASN 31 2HB ASN 31 7.917 12.676 -16.172 218 HD21 ASN 31 1HD2 ASN 31 7.869 11.125 -18.856 219 HD22 ASN 31 2HD2 ASN 31 9.476 10.501 -18.962 220 H ASP 32 H ASP 32 7.022 10.752 -12.600 221 HA ASP 32 HA ASP 32 9.368 12.387 -11.928 222 HB2 ASP 32 1HB ASP 32 6.807 11.786 -10.465 223 HB3 ASP 32 2HB ASP 32 8.209 12.443 -9.627 224 HA PRO 33 HA PRO 33 11.521 8.927 -10.282 225 HB2 PRO 33 1HB PRO 33 13.063 10.177 -8.430 226 HB3 PRO 33 2HB PRO 33 13.357 10.303 -10.168 227 HG2 PRO 33 1HG PRO 33 11.969 12.223 -8.338 228 HG3 PRO 33 2HG PRO 33 13.137 12.555 -9.630 229 HD2 PRO 33 1HD PRO 33 10.469 12.875 -9.961 230 HD3 PRO 33 2HD PRO 33 11.544 12.386 -11.287 231 H GLN 34 H GLN 34 9.700 11.043 -8.183 232 HA GLN 34 HA GLN 34 9.651 8.960 -6.107 233 HB2 GLN 34 1HB GLN 34 8.941 10.692 -4.558 234 HB3 GLN 34 2HB GLN 34 10.422 11.182 -5.369 235 HG2 GLN 34 1HG GLN 34 7.826 12.053 -6.520 236 HG3 GLN 34 2HG GLN 34 8.409 12.840 -5.054 237 HE21 GLN 34 1HE2 GLN 34 10.824 13.431 -5.212 238 HE22 GLN 34 2HE2 GLN 34 11.296 14.225 -6.672 239 H GLU 35 H GLU 35 8.108 8.750 -8.514 240 HA GLU 35 HA GLU 35 5.480 8.480 -7.307 241 HB2 GLU 35 1HB GLU 35 5.814 9.977 -9.910 242 HB3 GLU 35 2HB GLU 35 4.307 9.654 -9.064 243 HG2 GLU 35 1HG GLU 35 5.250 11.008 -7.148 244 HG3 GLU 35 2HG GLU 35 6.525 11.508 -8.258 245 H LEU 36 H LEU 36 3.950 7.369 -8.901 246 HA LEU 36 HA LEU 36 5.382 5.624 -10.768 247 HB2 LEU 36 1HB LEU 36 5.270 4.382 -8.699 248 HB3 LEU 36 2HB LEU 36 3.540 4.693 -8.572 249 HG LEU 36 HG LEU 36 3.422 3.397 -10.832 250 HD11 LEU 36 1HD1 LEU 36 5.298 2.500 -11.591 251 HD12 LEU 36 2HD1 LEU 36 5.493 1.606 -10.084 252 HD13 LEU 36 3HD1 LEU 36 6.189 3.217 -10.248 253 HD21 LEU 36 3HD2 LEU 36 3.957 2.038 -8.193 254 HD22 LEU 36 1HD2 LEU 36 3.183 1.290 -9.590 255 HD23 LEU 36 2HD2 LEU 36 2.400 2.639 -8.767 256 H ALA 37 H ALA 37 4.073 4.693 -12.399 257 HA ALA 37 HA ALA 37 1.574 6.170 -12.845 258 HB1 ALA 37 3HB ALA 37 3.078 6.531 -14.628 259 HB2 ALA 37 1HB ALA 37 3.481 4.817 -14.735 260 HB3 ALA 37 2HB ALA 37 1.884 5.381 -15.230 261 H LEU 38 H LEU 38 -0.162 5.083 -12.177 262 HA LEU 38 HA LEU 38 -0.224 2.209 -12.077 263 HB2 LEU 38 1HB LEU 38 -2.360 4.271 -11.562 264 HB3 LEU 38 2HB LEU 38 -2.547 2.542 -11.279 265 HG LEU 38 HG LEU 38 -0.530 4.289 -9.872 266 HD11 LEU 38 1HD1 LEU 38 -3.238 3.324 -8.969 267 HD12 LEU 38 2HD1 LEU 38 -2.752 4.994 -9.252 268 HD13 LEU 38 3HD1 LEU 38 -2.032 4.079 -7.927 269 HD21 LEU 38 3HD2 LEU 38 -1.367 1.800 -8.622 270 HD22 LEU 38 1HD2 LEU 38 0.253 2.437 -8.908 271 HD23 LEU 38 2HD2 LEU 38 -0.585 1.552 -10.184 272 H ARG 39 H ARG 39 -1.874 0.905 -13.115 273 HA ARG 39 HA ARG 39 -2.559 1.941 -15.785 274 HB2 ARG 39 1HB ARG 39 -0.990 0.075 -15.858 275 HB3 ARG 39 2HB ARG 39 -2.079 -0.904 -14.885 276 HG2 ARG 39 1HG ARG 39 -3.536 -1.260 -16.621 277 HG3 ARG 39 2HG ARG 39 -3.054 0.212 -17.467 278 HD2 ARG 39 1HD ARG 39 -0.900 -0.818 -18.016 279 HD3 ARG 39 2HD ARG 39 -1.393 -2.289 -17.179 280 HE ARG 39 HE ARG 39 -2.571 -2.884 -19.037 281 HH11 ARG 39 1HH1 ARG 39 -2.001 0.549 -19.134 282 HH12 ARG 39 2HH1 ARG 39 -2.674 0.748 -20.718 283 HH21 ARG 39 1HH2 ARG 39 -3.459 -2.635 -21.124 284 HH22 ARG 39 2HH2 ARG 39 -3.504 -1.064 -21.849 285 H ARG 40 H ARG 40 -4.617 1.681 -16.586 286 HA ARG 40 HA ARG 40 -6.727 1.551 -14.703 287 HB2 ARG 40 1HB ARG 40 -6.926 2.887 -16.724 288 HB3 ARG 40 2HB ARG 40 -6.777 1.447 -17.723 289 HG2 ARG 40 1HG ARG 40 -8.888 0.607 -16.869 290 HG3 ARG 40 2HG ARG 40 -9.031 2.009 -15.807 291 HD2 ARG 40 1HD ARG 40 -8.910 2.110 -18.819 292 HD3 ARG 40 2HD ARG 40 -10.385 2.220 -17.859 293 HE ARG 40 HE ARG 40 -9.830 4.386 -17.287 294 HH11 ARG 40 1HH1 ARG 40 -7.170 2.857 -18.933 295 HH12 ARG 40 2HH1 ARG 40 -6.286 4.331 -19.149 296 HH21 ARG 40 1HH2 ARG 40 -8.675 6.333 -17.565 297 HH22 ARG 40 2HH2 ARG 40 -7.142 6.308 -18.369 298 H ASN 41 H ASN 41 -7.836 -0.130 -13.944 299 HA ASN 41 HA ASN 41 -8.729 -2.217 -13.725 300 HB2 ASN 41 1HB ASN 41 -7.822 -2.810 -16.543 301 HB3 ASN 41 2HB ASN 41 -9.131 -3.573 -15.645 302 HD21 ASN 41 1HD2 ASN 41 -9.190 -2.275 -18.238 303 HD22 ASN 41 2HD2 ASN 41 -10.348 -0.999 -18.116 304 H GLU 42 H GLU 42 -6.085 -1.656 -12.909 305 HA GLU 42 HA GLU 42 -4.886 -4.331 -13.173 306 HB2 GLU 42 1HB GLU 42 -3.636 -1.655 -13.528 307 HB3 GLU 42 2HB GLU 42 -2.685 -2.889 -12.714 308 HG2 GLU 42 1HG GLU 42 -3.819 -2.975 -15.493 309 HG3 GLU 42 2HG GLU 42 -2.123 -2.961 -15.012 310 H GLU 43 H GLU 43 -4.164 -5.268 -11.321 311 HA GLU 43 HA GLU 43 -4.901 -3.950 -8.833 312 HB2 GLU 43 1HB GLU 43 -3.944 -6.770 -9.355 313 HB3 GLU 43 2HB GLU 43 -4.507 -6.158 -7.807 314 HG2 GLU 43 1HG GLU 43 -6.395 -7.187 -8.551 315 HG3 GLU 43 2HG GLU 43 -6.658 -5.562 -9.181 316 H TYR 44 H TYR 44 -3.478 -3.812 -7.027 317 HA TYR 44 HA TYR 44 -0.624 -4.131 -7.565 318 HB2 TYR 44 1HB TYR 44 -1.923 -1.528 -6.750 319 HB3 TYR 44 2HB TYR 44 -0.194 -1.836 -6.625 320 HD1 TYR 44 1HD TYR 44 -2.999 -1.681 -9.059 321 HD2 TYR 44 2HD TYR 44 1.211 -1.499 -8.470 322 HE1 TYR 44 1HE TYR 44 -2.709 -0.961 -11.393 323 HE2 TYR 44 2HE TYR 44 1.512 -0.778 -10.802 324 HH TYR 44 HH TYR 44 0.479 -0.095 -12.667 325 H CYS 45 H CYS 45 0.693 -3.841 -5.579 326 HA CYS 45 HA CYS 45 -0.800 -4.827 -3.248 327 HB2 CYS 45 1HB CYS 45 1.201 -6.097 -4.392 328 HB3 CYS 45 2HB CYS 45 2.182 -4.979 -3.452 329 HG CYS 45 HG CYS 45 0.826 -7.779 -2.502 330 H LEU 46 H LEU 46 -1.187 -3.385 -1.715 331 HA LEU 46 HA LEU 46 0.068 -0.850 -1.595 332 HB2 LEU 46 1HB LEU 46 -2.145 -1.014 -0.792 333 HB3 LEU 46 2HB LEU 46 -1.735 -2.347 0.285 334 HG LEU 46 HG LEU 46 -0.334 -0.700 1.592 335 HD11 LEU 46 1HD1 LEU 46 -1.878 1.310 -0.039 336 HD12 LEU 46 2HD1 LEU 46 -0.150 0.989 -0.187 337 HD13 LEU 46 3HD1 LEU 46 -0.798 1.656 1.312 338 HD21 LEU 46 3HD2 LEU 46 -2.095 -0.245 2.960 339 HD22 LEU 46 1HD2 LEU 46 -2.859 -1.446 1.920 340 HD23 LEU 46 2HD2 LEU 46 -3.138 0.272 1.635 341 H LEU 47 H LEU 47 2.165 -0.668 -1.111 342 HA LEU 47 HA LEU 47 3.566 -2.469 0.585 343 HB2 LEU 47 1HB LEU 47 4.248 0.199 -0.612 344 HB3 LEU 47 2HB LEU 47 5.358 -0.655 0.458 345 HG LEU 47 HG LEU 47 4.376 -1.556 -2.247 346 HD11 LEU 47 1HD1 LEU 47 6.925 -0.441 -1.179 347 HD12 LEU 47 2HD1 LEU 47 6.083 -0.086 -2.687 348 HD13 LEU 47 3HD1 LEU 47 6.977 -1.596 -2.511 349 HD21 LEU 47 3HD2 LEU 47 4.622 -3.627 -1.431 350 HD22 LEU 47 1HD2 LEU 47 5.477 -3.064 0.005 351 HD23 LEU 47 2HD2 LEU 47 6.352 -3.291 -1.510 352 H ASP 48 H ASP 48 2.926 1.019 1.001 353 HA ASP 48 HA ASP 48 2.394 0.563 3.833 354 HB2 ASP 48 1HB ASP 48 4.870 1.061 3.506 355 HB3 ASP 48 2HB ASP 48 4.381 2.672 2.986 356 H SER 49 H SER 49 1.146 2.170 4.810 357 HA SER 49 HA SER 49 -0.056 4.087 2.923 358 HB2 SER 49 1HB SER 49 -2.058 3.997 4.434 359 HB3 SER 49 2HB SER 49 -1.691 2.465 3.641 360 HG SER 49 HG SER 49 -1.078 1.618 5.514 361 H SER 50 H SER 50 2.347 4.541 4.494 362 HA SER 50 HA SER 50 2.209 5.866 6.829 363 HB2 SER 50 1HB SER 50 4.246 5.618 5.362 364 HB3 SER 50 2HB SER 50 3.680 7.018 4.451 365 HG SER 50 HG SER 50 5.089 7.747 6.009 366 H GLU 51 H GLU 51 1.364 7.280 3.682 367 HA GLU 51 HA GLU 51 0.172 9.570 5.085 368 HB2 GLU 51 1HB GLU 51 1.350 9.184 2.380 369 HB3 GLU 51 2HB GLU 51 0.034 10.339 2.533 370 HG2 GLU 51 1HG GLU 51 2.644 10.383 4.029 371 HG3 GLU 51 2HG GLU 51 2.151 11.467 2.729 372 H ILE 52 H ILE 52 -1.729 10.493 3.567 373 HA ILE 52 HA ILE 52 -3.641 8.269 3.321 374 HB ILE 52 HB ILE 52 -4.188 11.200 3.803 375 HG12 ILE 52 1HG1 ILE 52 -4.602 8.848 5.657 376 HG13 ILE 52 2HG1 ILE 52 -3.196 9.906 5.719 377 HG21 ILE 52 1HG2 ILE 52 -6.200 8.986 3.977 378 HG22 ILE 52 2HG2 ILE 52 -6.470 10.723 3.847 379 HG23 ILE 52 3HG2 ILE 52 -5.879 9.817 2.455 380 HD11 ILE 52 3HD1 ILE 52 -4.324 11.552 6.740 381 HD12 ILE 52 1HD1 ILE 52 -5.794 11.269 5.808 382 HD13 ILE 52 2HD1 ILE 52 -5.419 10.246 7.196 383 H HIS 53 H HIS 53 -2.995 11.478 1.898 384 HA HIS 53 HA HIS 53 -4.528 11.012 -0.434 385 HB2 HIS 53 1HB HIS 53 -2.222 12.940 -0.311 386 HB3 HIS 53 2HB HIS 53 -3.731 13.086 -1.207 387 HD1 HIS 53 1HD HIS 53 -5.853 13.781 0.166 388 HD2 HIS 53 2HD HIS 53 -2.285 13.881 2.292 389 HE1 HIS 53 1HE HIS 53 -6.348 15.098 2.251 390 HE2 HIS 53 2HE HIS 53 -4.153 15.217 3.480 391 H TRP 54 H TRP 54 -1.245 10.281 0.446 392 HA TRP 54 HA TRP 54 -0.809 9.178 -2.252 393 HB2 TRP 54 1HB TRP 54 1.279 10.305 -0.374 394 HB3 TRP 54 2HB TRP 54 1.591 9.603 -1.959 395 HD1 TRP 54 HD TRP 54 1.038 12.851 -0.343 396 HE1 TRP 54 1HE TRP 54 0.560 14.679 -2.092 397 HE3 TRP 54 3HE TRP 54 0.150 9.876 -4.405 398 HZ2 TRP 54 2HZ TRP 54 -0.106 14.838 -4.830 399 HZ3 TRP 54 3HZ TRP 54 -0.402 10.945 -6.552 400 HH2 TRP 54 HH TRP 54 -0.527 13.375 -6.757 401 H TRP 55 H TRP 55 -0.583 7.047 -2.321 402 HA TRP 55 HA TRP 55 0.229 5.646 0.143 403 HB2 TRP 55 1HB TRP 55 -1.841 4.993 -1.921 404 HB3 TRP 55 2HB TRP 55 -1.052 3.685 -1.045 405 HD1 TRP 55 HD TRP 55 -1.215 6.350 1.378 406 HE1 TRP 55 1HE TRP 55 -3.280 6.140 2.899 407 HE3 TRP 55 3HE TRP 55 -3.909 2.988 -1.374 408 HZ2 TRP 55 2HZ TRP 55 -5.728 4.734 2.929 409 HZ3 TRP 55 3HZ TRP 55 -6.103 2.262 -0.529 410 HH2 TRP 55 HH TRP 55 -6.992 3.118 1.578 411 H ARG 56 H ARG 56 1.616 3.867 -0.042 412 HA ARG 56 HA ARG 56 3.248 3.897 -2.473 413 HB2 ARG 56 1HB ARG 56 4.224 4.191 -0.122 414 HB3 ARG 56 2HB ARG 56 3.908 2.475 0.099 415 HG2 ARG 56 1HG ARG 56 5.410 1.895 -1.658 416 HG3 ARG 56 2HG ARG 56 5.587 3.584 -2.136 417 HD2 ARG 56 1HD ARG 56 6.739 4.108 -0.110 418 HD3 ARG 56 2HD ARG 56 6.378 2.522 0.569 419 HE ARG 56 HE ARG 56 7.809 2.120 -1.783 420 HH11 ARG 56 1HH1 ARG 56 8.292 3.538 1.360 421 HH12 ARG 56 2HH1 ARG 56 9.993 3.208 1.391 422 HH21 ARG 56 1HH2 ARG 56 10.047 1.680 -1.754 423 HH22 ARG 56 2HH2 ARG 56 10.990 2.152 -0.381 424 H VAL 57 H VAL 57 3.182 2.292 -3.900 425 HA VAL 57 HA VAL 57 2.233 -0.352 -3.038 426 HB VAL 57 HB VAL 57 0.831 -0.612 -4.969 427 HG11 VAL 57 1HG1 VAL 57 0.222 0.974 -2.863 428 HG12 VAL 57 2HG1 VAL 57 -0.104 2.070 -4.207 429 HG13 VAL 57 3HG1 VAL 57 -0.925 0.511 -4.120 430 HG21 VAL 57 3HG2 VAL 57 0.790 2.063 -6.009 431 HG22 VAL 57 1HG2 VAL 57 2.430 1.416 -6.065 432 HG23 VAL 57 2HG2 VAL 57 1.111 0.544 -6.847 433 H GLN 58 H GLN 58 2.588 -1.985 -4.896 434 HA GLN 58 HA GLN 58 5.048 -1.370 -6.374 435 HB2 GLN 58 1HB GLN 58 5.751 -2.538 -4.363 436 HB3 GLN 58 2HB GLN 58 4.582 -3.817 -4.662 437 HG2 GLN 58 1HG GLN 58 5.857 -4.130 -6.889 438 HG3 GLN 58 2HG GLN 58 7.139 -3.226 -6.086 439 HE21 GLN 58 1HE2 GLN 58 8.497 -4.302 -4.825 440 HE22 GLN 58 2HE2 GLN 58 8.285 -5.925 -4.273 441 H ASP 59 H ASP 59 4.442 -1.534 -8.432 442 HA ASP 59 HA ASP 59 2.287 -2.839 -9.502 443 HB2 ASP 59 1HB ASP 59 3.621 -1.280 -10.804 444 HB3 ASP 59 2HB ASP 59 4.992 -2.387 -10.779 445 H ARG 60 H ARG 60 2.367 -4.737 -11.067 446 HA ARG 60 HA ARG 60 3.015 -7.074 -9.621 447 HB2 ARG 60 1HB ARG 60 2.319 -8.284 -11.638 448 HB3 ARG 60 2HB ARG 60 1.178 -7.010 -11.229 449 HG2 ARG 60 1HG ARG 60 2.126 -5.583 -12.955 450 HG3 ARG 60 2HG ARG 60 3.309 -6.833 -13.349 451 HD2 ARG 60 1HD ARG 60 1.606 -8.309 -14.120 452 HD3 ARG 60 2HD ARG 60 0.333 -7.267 -13.486 453 HE ARG 60 HE ARG 60 1.844 -5.814 -15.346 454 HH11 ARG 60 1HH1 ARG 60 -0.381 -8.488 -15.223 455 HH12 ARG 60 2HH1 ARG 60 -0.986 -8.228 -16.825 456 HH21 ARG 60 1HH2 ARG 60 1.055 -5.460 -17.457 457 HH22 ARG 60 2HH2 ARG 60 -0.168 -6.505 -18.095 458 H ASN 61 H ASN 61 4.660 -5.302 -12.163 459 HA ASN 61 HA ASN 61 6.613 -7.315 -12.695 460 HB2 ASN 61 1HB ASN 61 6.407 -4.384 -13.365 461 HB3 ASN 61 2HB ASN 61 7.836 -5.328 -13.778 462 HD21 ASN 61 1HD2 ASN 61 7.241 -4.714 -15.969 463 HD22 ASN 61 2HD2 ASN 61 6.082 -5.671 -16.820 464 H GLY 62 H GLY 62 6.684 -4.252 -10.875 465 HA2 GLY 62 1HA GLY 62 7.931 -4.794 -8.635 466 HA3 GLY 62 2HA GLY 62 9.277 -5.016 -9.742 467 H HIS 63 H HIS 63 6.724 -2.599 -10.023 468 HA HIS 63 HA HIS 63 8.784 -0.519 -9.704 469 HB2 HIS 63 1HB HIS 63 6.155 -0.112 -11.109 470 HB3 HIS 63 2HB HIS 63 7.637 0.828 -11.257 471 HD1 HIS 63 1HD HIS 63 6.009 -0.574 -13.627 472 HD2 HIS 63 2HD HIS 63 9.520 -1.939 -11.875 473 HE1 HIS 63 1HE HIS 63 7.088 -2.055 -15.349 474 HE2 HIS 63 2HE HIS 63 9.168 -2.937 -14.235 475 H GLU 64 H GLU 64 8.654 0.675 -7.931 476 HA GLU 64 HA GLU 64 6.068 0.847 -6.538 477 HB2 GLU 64 1HB GLU 64 8.879 1.170 -5.475 478 HB3 GLU 64 2HB GLU 64 7.419 1.406 -4.524 479 HG2 GLU 64 1HG GLU 64 6.957 -0.823 -4.414 480 HG3 GLU 64 2HG GLU 64 7.765 -1.180 -5.939 481 H GLY 65 H GLY 65 5.828 2.913 -5.213 482 HA2 GLY 65 1HA GLY 65 7.071 5.291 -5.570 483 HA3 GLY 65 2HA GLY 65 6.109 5.139 -7.033 484 H TYR 66 H TYR 66 5.349 7.234 -5.877 485 HA TYR 66 HA TYR 66 3.262 6.630 -3.908 486 HB2 TYR 66 1HB TYR 66 4.581 9.213 -4.742 487 HB3 TYR 66 2HB TYR 66 3.161 9.161 -3.703 488 HD1 TYR 66 1HD TYR 66 3.562 7.157 -1.784 489 HD2 TYR 66 2HD TYR 66 6.505 9.660 -3.566 490 HE1 TYR 66 1HE TYR 66 5.008 6.846 0.181 491 HE2 TYR 66 2HE TYR 66 7.960 9.355 -1.607 492 HH TYR 66 HH TYR 66 7.239 8.630 1.123 493 H VAL 67 H VAL 67 1.218 6.484 -4.531 494 HA VAL 67 HA VAL 67 0.370 7.918 -6.961 495 HB VAL 67 HB VAL 67 -1.234 5.989 -7.343 496 HG11 VAL 67 1HG1 VAL 67 1.712 5.916 -7.747 497 HG12 VAL 67 2HG1 VAL 67 0.768 4.489 -8.181 498 HG13 VAL 67 3HG1 VAL 67 0.412 6.045 -8.931 499 HG21 VAL 67 3HG2 VAL 67 0.670 4.558 -5.491 500 HG22 VAL 67 1HG2 VAL 67 -0.997 4.987 -5.106 501 HG23 VAL 67 2HG2 VAL 67 -0.659 3.832 -6.395 502 HA PRO 68 HA PRO 68 -2.957 9.532 -4.592 503 HB2 PRO 68 1HB PRO 68 -4.881 9.765 -6.493 504 HB3 PRO 68 2HB PRO 68 -3.469 10.826 -6.421 505 HG2 PRO 68 1HG PRO 68 -3.951 8.427 -8.146 506 HG3 PRO 68 2HG PRO 68 -3.241 9.994 -8.580 507 HD2 PRO 68 1HD PRO 68 -1.735 7.796 -8.098 508 HD3 PRO 68 2HD PRO 68 -1.176 9.438 -7.721 509 H SER 69 H SER 69 -3.856 8.224 -3.110 510 HA SER 69 HA SER 69 -4.798 5.682 -3.347 511 HB2 SER 69 1HB SER 69 -6.183 6.113 -1.353 512 HB3 SER 69 2HB SER 69 -4.580 6.829 -1.191 513 HG SER 69 HG SER 69 -6.872 8.251 -2.070 514 H SER 70 H SER 70 -6.467 8.644 -4.203 515 HA SER 70 HA SER 70 -9.072 7.876 -4.431 516 HB2 SER 70 1HB SER 70 -7.557 9.517 -6.477 517 HB3 SER 70 2HB SER 70 -9.304 9.518 -6.231 518 HG SER 70 HG SER 70 -8.959 10.996 -4.794 519 H TYR 71 H TYR 71 -6.441 7.141 -6.668 520 HA TYR 71 HA TYR 71 -8.109 5.849 -8.593 521 HB2 TYR 71 1HB TYR 71 -5.132 5.945 -8.150 522 HB3 TYR 71 2HB TYR 71 -5.846 4.941 -9.407 523 HD1 TYR 71 1HD TYR 71 -6.353 8.445 -8.186 524 HD2 TYR 71 2HD TYR 71 -5.682 5.868 -11.504 525 HE1 TYR 71 1HE TYR 71 -6.406 10.386 -9.696 526 HE2 TYR 71 2HE TYR 71 -5.732 7.802 -13.023 527 HH TYR 71 HH TYR 71 -6.346 10.004 -13.181 528 H LEU 72 H LEU 72 -6.013 4.729 -5.967 529 HA LEU 72 HA LEU 72 -6.428 1.959 -6.468 530 HB2 LEU 72 1HB LEU 72 -5.530 3.370 -3.959 531 HB3 LEU 72 2HB LEU 72 -5.434 1.633 -4.243 532 HG LEU 72 HG LEU 72 -3.928 3.757 -5.770 533 HD11 LEU 72 1HD1 LEU 72 -3.131 3.472 -3.474 534 HD12 LEU 72 2HD1 LEU 72 -1.961 2.872 -4.649 535 HD13 LEU 72 3HD1 LEU 72 -2.967 1.738 -3.747 536 HD21 LEU 72 3HD2 LEU 72 -4.436 0.919 -6.258 537 HD22 LEU 72 1HD2 LEU 72 -2.727 1.354 -6.268 538 HD23 LEU 72 2HD2 LEU 72 -3.851 2.174 -7.352 539 H VAL 73 H VAL 73 -7.815 0.511 -5.515 540 HA VAL 73 HA VAL 73 -9.783 1.520 -3.597 541 HB VAL 73 HB VAL 73 -11.670 0.876 -4.801 542 HG11 VAL 73 1HG1 VAL 73 -9.984 1.763 -7.110 543 HG12 VAL 73 2HG1 VAL 73 -11.642 2.209 -6.700 544 HG13 VAL 73 3HG1 VAL 73 -10.296 2.848 -5.756 545 HG21 VAL 73 3HG2 VAL 73 -9.803 -0.711 -6.549 546 HG22 VAL 73 1HG2 VAL 73 -11.083 -1.313 -5.495 547 HG23 VAL 73 2HG2 VAL 73 -11.493 -0.421 -6.960 548 H GLU 74 H GLU 74 -10.331 0.071 -2.067 549 HA GLU 74 HA GLU 74 -8.852 -2.314 -1.787 550 HB2 GLU 74 1HB GLU 74 -10.082 -0.800 -0.017 551 HB3 GLU 74 2HB GLU 74 -11.420 -1.901 -0.311 552 HG2 GLU 74 1HG GLU 74 -9.703 -3.763 0.147 553 HG3 GLU 74 2HG GLU 74 -8.734 -2.478 0.865 554 H LYS 75 H LYS 75 -9.113 -4.117 -2.908 555 HA LYS 75 HA LYS 75 -11.079 -4.786 -4.660 556 HB2 LYS 75 1HB LYS 75 -8.987 -6.051 -4.396 557 HB3 LYS 75 2HB LYS 75 -9.577 -6.713 -2.877 558 HG2 LYS 75 1HG LYS 75 -10.010 -8.429 -4.340 559 HG3 LYS 75 2HG LYS 75 -11.555 -7.575 -4.327 560 HD2 LYS 75 1HD LYS 75 -10.777 -6.332 -6.363 561 HD3 LYS 75 2HD LYS 75 -9.383 -7.414 -6.412 562 HE2 LYS 75 1HE LYS 75 -10.968 -8.330 -7.902 563 HE3 LYS 75 2HE LYS 75 -11.038 -9.327 -6.449 564 HZ1 LYS 75 3HZ LYS 75 -13.208 -8.940 -6.447 565 HZ2 LYS 75 1HZ LYS 75 -13.086 -7.767 -7.660 566 HZ3 LYS 75 2HZ LYS 75 -12.876 -7.332 -6.039 567 H SER 76 H SER 76 -13.203 -4.652 -4.279 568 HA SER 76 HA SER 76 -14.580 -4.867 -1.937 569 HB2 SER 76 1HB SER 76 -15.600 -5.900 -4.592 570 HB3 SER 76 2HB SER 76 -16.572 -5.319 -3.240 571 HG SER 76 HG SER 76 -14.834 -3.826 -4.907 572 HA PRO 77 HA PRO 77 -14.358 -9.042 -0.577 573 HB2 PRO 77 1HB PRO 77 -16.645 -9.164 0.881 574 HB3 PRO 77 2HB PRO 77 -15.209 -8.284 1.418 575 HG2 PRO 77 1HG PRO 77 -17.693 -7.241 0.113 576 HG3 PRO 77 2HG PRO 77 -16.781 -6.571 1.478 577 HD2 PRO 77 1HD PRO 77 -16.547 -5.608 -1.042 578 HD3 PRO 77 2HD PRO 77 -15.196 -5.608 0.110 579 H ASN 78 H ASN 78 -16.907 -7.877 -2.559 580 HA ASN 78 HA ASN 78 -17.879 -10.616 -3.027 581 HB2 ASN 78 1HB ASN 78 -19.245 -8.056 -3.867 582 HB3 ASN 78 2HB ASN 78 -19.930 -9.678 -3.825 583 HD21 ASN 78 1HD2 ASN 78 -21.289 -7.723 -2.613 584 HD22 ASN 78 2HD2 ASN 78 -21.187 -7.872 -0.894 585 H ASN 79 H ASN 79 -16.432 -11.361 -4.527 586 HA ASN 79 HA ASN 79 -15.359 -9.911 -6.663 587 HB2 ASN 79 1HB ASN 79 -14.497 -11.938 -7.441 588 HB3 ASN 79 2HB ASN 79 -14.693 -12.233 -5.716 589 HD21 ASN 79 1HD2 ASN 79 -16.546 -13.436 -5.020 590 HD22 ASN 79 2HD2 ASN 79 -17.272 -14.591 -6.080 591 H LEU 80 H LEU 80 -16.289 -9.098 -8.412 592 HA LEU 80 HA LEU 80 -18.931 -10.061 -9.208 593 HB2 LEU 80 1HB LEU 80 -17.413 -7.684 -10.262 594 HB3 LEU 80 2HB LEU 80 -19.125 -8.041 -10.483 595 HG LEU 80 HG LEU 80 -19.101 -7.879 -7.827 596 HD11 LEU 80 1HD1 LEU 80 -17.288 -5.629 -8.200 597 HD12 LEU 80 2HD1 LEU 80 -16.499 -7.198 -8.357 598 HD13 LEU 80 3HD1 LEU 80 -17.389 -6.802 -6.887 599 HD21 LEU 80 3HD2 LEU 80 -19.061 -5.356 -9.456 600 HD22 LEU 80 1HD2 LEU 80 -20.046 -5.744 -8.045 601 HD23 LEU 80 2HD2 LEU 80 -20.366 -6.536 -9.589 602 H GLU 81 H GLU 81 -19.393 -10.911 -11.197 603 HA GLU 81 HA GLU 81 -17.131 -11.320 -13.036 604 HB2 GLU 81 1HB GLU 81 -19.037 -13.329 -11.904 605 HB3 GLU 81 2HB GLU 81 -18.408 -13.567 -13.529 606 HG2 GLU 81 1HG GLU 81 -16.152 -13.598 -12.713 607 HG3 GLU 81 2HG GLU 81 -16.693 -13.178 -11.089 608 H THR 82 H THR 82 -17.807 -9.725 -14.446 609 HA THR 82 HA THR 82 -20.518 -9.707 -15.456 610 HB THR 82 HB THR 82 -18.185 -8.099 -16.500 611 HG1 THR 82 1HG THR 82 -19.362 -6.491 -14.997 612 HG21 THR 82 3HG2 THR 82 -20.294 -6.504 -16.781 613 HG22 THR 82 1HG2 THR 82 -21.138 -8.051 -16.841 614 HG23 THR 82 2HG2 THR 82 -19.859 -7.698 -18.004 615 H TYR 83 H TYR 83 -18.670 -12.027 -15.926 616 HA TYR 83 HA TYR 83 -18.909 -12.081 -18.861 617 HB2 TYR 83 1HB TYR 83 -16.707 -13.269 -17.163 618 HB3 TYR 83 2HB TYR 83 -16.913 -13.582 -18.883 619 HD1 TYR 83 1HD TYR 83 -17.064 -11.387 -20.372 620 HD2 TYR 83 2HD TYR 83 -15.245 -11.599 -16.532 621 HE1 TYR 83 1HE TYR 83 -15.730 -9.388 -20.900 622 HE2 TYR 83 2HE TYR 83 -13.907 -9.601 -17.048 623 HH TYR 83 HH TYR 83 -13.183 -8.268 -18.779 624 H GLU 84 H GLU 84 -20.930 -13.101 -18.720 625 HA GLU 84 HA GLU 84 -21.140 -15.631 -17.314 626 HB2 GLU 84 1HB GLU 84 -23.474 -15.604 -18.003 627 HB3 GLU 84 2HB GLU 84 -23.030 -14.058 -17.294 628 HG2 GLU 84 1HG GLU 84 -22.594 -13.372 -19.772 629 HG3 GLU 84 2HG GLU 84 -23.656 -14.733 -20.126 630 H TRP 85 H TRP 85 -19.813 -17.061 -18.382 631 HA TRP 85 HA TRP 85 -19.836 -17.358 -21.226 632 HB2 TRP 85 1HB TRP 85 -18.615 -18.902 -18.956 633 HB3 TRP 85 2HB TRP 85 -18.592 -19.551 -20.593 634 HD1 TRP 85 HD TRP 85 -17.912 -15.910 -19.429 635 HE1 TRP 85 1HE TRP 85 -15.593 -15.221 -20.308 636 HE3 TRP 85 3HE TRP 85 -16.519 -20.328 -21.592 637 HZ2 TRP 85 2HZ TRP 85 -13.456 -16.396 -21.731 638 HZ3 TRP 85 3HZ TRP 85 -14.322 -20.462 -22.691 639 HH2 TRP 85 HH TRP 85 -12.824 -18.535 -22.759 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -0.790 -42.582 -27.303 2 HA2 GLY 1 1HA GLY 1 -2.417 -43.339 -25.000 3 HA3 GLY 1 2HA GLY 1 -0.675 -43.338 -24.765 4 H SER 2 H SER 2 -1.945 -41.738 -23.128 5 HA SER 2 HA SER 2 -1.088 -39.110 -23.956 6 HB2 SER 2 1HB SER 2 -3.997 -39.625 -23.294 7 HB3 SER 2 2HB SER 2 -3.267 -38.027 -23.450 8 HG SER 2 HG SER 2 -4.194 -38.552 -25.404 9 H SER 3 H SER 3 -1.040 -37.583 -22.189 10 HA SER 3 HA SER 3 -1.187 -38.866 -19.541 11 HB2 SER 3 1HB SER 3 0.885 -36.842 -20.418 12 HB3 SER 3 2HB SER 3 0.811 -37.667 -18.861 13 HG SER 3 HG SER 3 1.005 -39.659 -20.154 14 H GLY 4 H GLY 4 -1.846 -37.585 -17.807 15 HA2 GLY 4 1HA GLY 4 -2.786 -34.874 -18.480 16 HA3 GLY 4 2HA GLY 4 -3.875 -36.021 -17.715 17 H SER 5 H SER 5 -0.506 -34.972 -17.188 18 HA SER 5 HA SER 5 -0.884 -35.104 -14.325 19 HB2 SER 5 1HB SER 5 1.249 -35.835 -15.011 20 HB3 SER 5 2HB SER 5 1.463 -34.468 -16.104 21 HG SER 5 HG SER 5 1.154 -34.005 -13.353 22 H SER 6 H SER 6 -2.439 -33.491 -13.954 23 HA SER 6 HA SER 6 -1.313 -30.817 -13.762 24 HB2 SER 6 1HB SER 6 -3.786 -31.461 -15.369 25 HB3 SER 6 2HB SER 6 -3.456 -29.846 -14.744 26 HG SER 6 HG SER 6 -1.841 -31.349 -16.530 27 H GLY 7 H GLY 7 -1.953 -29.790 -11.954 28 HA2 GLY 7 1HA GLY 7 -3.672 -31.224 -10.123 29 HA3 GLY 7 2HA GLY 7 -2.780 -29.749 -9.782 30 H GLU 8 H GLU 8 -3.668 -27.724 -10.534 31 HA GLU 8 HA GLU 8 -6.599 -27.799 -10.545 32 HB2 GLU 8 1HB GLU 8 -4.625 -25.615 -9.885 33 HB3 GLU 8 2HB GLU 8 -6.351 -25.322 -10.046 34 HG2 GLU 8 1HG GLU 8 -5.129 -27.270 -8.106 35 HG3 GLU 8 2HG GLU 8 -5.593 -25.616 -7.710 36 H ASP 9 H ASP 9 -5.417 -28.510 -12.938 37 HA ASP 9 HA ASP 9 -5.549 -28.093 -15.170 38 HB2 ASP 9 1HB ASP 9 -7.472 -26.138 -14.016 39 HB3 ASP 9 2HB ASP 9 -6.986 -25.900 -15.692 40 H ASN 10 H ASN 10 -3.363 -27.028 -13.618 41 HA ASN 10 HA ASN 10 -1.549 -25.677 -13.851 42 HB2 ASN 10 1HB ASN 10 -2.709 -25.712 -16.610 43 HB3 ASN 10 2HB ASN 10 -1.372 -24.621 -16.259 44 HD21 ASN 10 1HD2 ASN 10 -1.658 -27.105 -17.920 45 HD22 ASN 10 2HD2 ASN 10 -0.354 -28.117 -17.409 46 H ARG 11 H ARG 11 -3.620 -24.502 -12.522 47 HA ARG 11 HA ARG 11 -3.503 -21.714 -13.469 48 HB2 ARG 11 1HB ARG 11 -5.769 -23.285 -12.306 49 HB3 ARG 11 2HB ARG 11 -5.691 -21.551 -12.025 50 HG2 ARG 11 1HG ARG 11 -5.404 -22.545 -14.811 51 HG3 ARG 11 2HG ARG 11 -7.004 -22.557 -14.067 52 HD2 ARG 11 1HD ARG 11 -6.482 -20.115 -13.429 53 HD3 ARG 11 2HD ARG 11 -5.208 -20.227 -14.643 54 HE ARG 11 HE ARG 11 -7.770 -21.069 -15.616 55 HH11 ARG 11 1HH1 ARG 11 -5.711 -18.323 -15.033 56 HH12 ARG 11 2HH1 ARG 11 -6.471 -17.334 -16.235 57 HH21 ARG 11 1HH2 ARG 11 -8.779 -19.776 -17.201 58 HH22 ARG 11 2HH2 ARG 11 -8.216 -18.161 -17.467 59 H ARG 12 H ARG 12 -3.358 -20.082 -11.864 60 HA ARG 12 HA ARG 12 -3.116 -20.691 -9.093 61 HB2 ARG 12 1HB ARG 12 -0.933 -21.547 -10.178 62 HB3 ARG 12 2HB ARG 12 -0.528 -19.846 -10.368 63 HG2 ARG 12 1HG ARG 12 -0.601 -19.502 -7.996 64 HG3 ARG 12 2HG ARG 12 -1.201 -21.142 -7.737 65 HD2 ARG 12 1HD ARG 12 1.147 -21.090 -7.235 66 HD3 ARG 12 2HD ARG 12 0.903 -22.011 -8.719 67 HE ARG 12 HE ARG 12 1.417 -19.474 -9.575 68 HH11 ARG 12 1HH1 ARG 12 3.062 -21.752 -7.519 69 HH12 ARG 12 2HH1 ARG 12 4.644 -21.172 -7.921 70 HH21 ARG 12 1HH2 ARG 12 3.494 -18.701 -10.112 71 HH22 ARG 12 2HH2 ARG 12 4.889 -19.435 -9.396 72 HA PRO 13 HA PRO 13 -4.072 -16.388 -9.024 73 HB2 PRO 13 1HB PRO 13 -3.635 -15.927 -6.384 74 HB3 PRO 13 2HB PRO 13 -5.049 -16.800 -6.986 75 HG2 PRO 13 1HG PRO 13 -2.505 -17.879 -5.836 76 HG3 PRO 13 2HG PRO 13 -4.175 -18.394 -5.536 77 HD2 PRO 13 1HD PRO 13 -2.520 -19.724 -7.217 78 HD3 PRO 13 2HD PRO 13 -4.274 -19.634 -7.476 79 H LEU 14 H LEU 14 -3.102 -14.297 -8.215 80 HA LEU 14 HA LEU 14 -0.194 -14.376 -8.628 81 HB2 LEU 14 1HB LEU 14 -2.276 -12.274 -9.120 82 HB3 LEU 14 2HB LEU 14 -0.562 -11.869 -9.044 83 HG LEU 14 HG LEU 14 -0.421 -13.794 -10.872 84 HD11 LEU 14 1HD1 LEU 14 -3.186 -13.539 -10.538 85 HD12 LEU 14 2HD1 LEU 14 -2.333 -14.412 -11.810 86 HD13 LEU 14 3HD1 LEU 14 -2.811 -12.734 -12.062 87 HD21 LEU 14 3HD2 LEU 14 0.059 -12.124 -12.315 88 HD22 LEU 14 1HD2 LEU 14 -0.071 -11.132 -10.863 89 HD23 LEU 14 2HD2 LEU 14 -1.436 -11.250 -11.974 90 H TRP 15 H TRP 15 -2.642 -12.597 -6.744 91 HA TRP 15 HA TRP 15 -0.579 -11.954 -4.762 92 HB2 TRP 15 1HB TRP 15 -3.372 -10.885 -4.621 93 HB3 TRP 15 2HB TRP 15 -1.862 -10.139 -4.104 94 HD1 TRP 15 HD TRP 15 -4.084 -10.592 -7.167 95 HE1 TRP 15 1HE TRP 15 -3.282 -8.995 -9.019 96 HE3 TRP 15 3HE TRP 15 0.241 -8.941 -4.998 97 HZ2 TRP 15 2HZ TRP 15 -1.104 -7.265 -9.498 98 HZ3 TRP 15 3HZ TRP 15 1.627 -7.316 -6.220 99 HH2 TRP 15 HH TRP 15 0.967 -6.497 -8.423 100 H GLU 16 H GLU 16 -1.840 -11.696 -2.458 101 HA GLU 16 HA GLU 16 -3.052 -14.336 -1.956 102 HB2 GLU 16 1HB GLU 16 -1.255 -12.714 -0.144 103 HB3 GLU 16 2HB GLU 16 -2.039 -14.223 0.302 104 HG2 GLU 16 1HG GLU 16 -0.723 -15.476 -1.176 105 HG3 GLU 16 2HG GLU 16 -0.188 -14.040 -2.048 106 HA PRO 17 HA PRO 17 -6.570 -12.298 -0.289 107 HB2 PRO 17 1HB PRO 17 -7.408 -14.168 1.492 108 HB3 PRO 17 2HB PRO 17 -7.579 -14.362 -0.257 109 HG2 PRO 17 1HG PRO 17 -5.504 -15.493 1.581 110 HG3 PRO 17 2HG PRO 17 -6.367 -16.282 0.248 111 HD2 PRO 17 1HD PRO 17 -3.840 -15.343 -0.007 112 HD3 PRO 17 2HD PRO 17 -4.994 -15.356 -1.356 113 H GLU 18 H GLU 18 -3.771 -12.832 1.475 114 HA GLU 18 HA GLU 18 -4.836 -11.726 3.962 115 HB2 GLU 18 1HB GLU 18 -3.352 -13.618 4.215 116 HB3 GLU 18 2HB GLU 18 -2.113 -12.824 3.252 117 HG2 GLU 18 1HG GLU 18 -1.322 -12.450 5.358 118 HG3 GLU 18 2HG GLU 18 -2.271 -10.987 5.102 119 H GLU 19 H GLU 19 -2.629 -10.948 1.335 120 HA GLU 19 HA GLU 19 -1.730 -8.491 2.512 121 HB2 GLU 19 1HB GLU 19 -1.525 -9.483 -0.337 122 HB3 GLU 19 2HB GLU 19 -0.680 -8.088 0.319 123 HG2 GLU 19 1HG GLU 19 -0.341 -10.906 1.315 124 HG3 GLU 19 2HG GLU 19 0.719 -10.119 0.146 125 H THR 20 H THR 20 -2.235 -6.380 1.851 126 HA THR 20 HA THR 20 -4.990 -6.036 1.054 127 HB THR 20 HB THR 20 -2.898 -3.954 1.717 128 HG1 THR 20 1HG THR 20 -3.266 -4.864 3.627 129 HG21 THR 20 3HG2 THR 20 -4.868 -2.480 2.065 130 HG22 THR 20 1HG2 THR 20 -5.894 -3.749 1.398 131 HG23 THR 20 2HG2 THR 20 -4.667 -2.985 0.388 132 H VAL 21 H VAL 21 -5.358 -6.324 -1.072 133 HA VAL 21 HA VAL 21 -3.531 -5.103 -3.013 134 HB VAL 21 HB VAL 21 -5.798 -7.050 -3.461 135 HG11 VAL 21 1HG1 VAL 21 -5.684 -6.457 -5.598 136 HG12 VAL 21 2HG1 VAL 21 -4.346 -5.356 -5.269 137 HG13 VAL 21 3HG1 VAL 21 -4.025 -7.053 -5.631 138 HG21 VAL 21 3HG2 VAL 21 -2.987 -7.795 -3.988 139 HG22 VAL 21 1HG2 VAL 21 -3.459 -7.649 -2.295 140 HG23 VAL 21 2HG2 VAL 21 -4.319 -8.763 -3.359 141 H VAL 22 H VAL 22 -4.205 -3.613 -4.529 142 HA VAL 22 HA VAL 22 -6.972 -2.654 -4.376 143 HB VAL 22 HB VAL 22 -6.045 -0.281 -4.510 144 HG11 VAL 22 1HG1 VAL 22 -7.180 -0.903 -2.545 145 HG12 VAL 22 2HG1 VAL 22 -5.872 -1.970 -2.029 146 HG13 VAL 22 3HG1 VAL 22 -5.649 -0.220 -1.998 147 HG21 VAL 22 3HG2 VAL 22 -3.582 -1.735 -3.561 148 HG22 VAL 22 1HG2 VAL 22 -3.749 -0.729 -5.000 149 HG23 VAL 22 2HG2 VAL 22 -3.823 0.004 -3.398 150 H ILE 23 H ILE 23 -7.807 -1.943 -6.282 151 HA ILE 23 HA ILE 23 -6.067 -2.204 -8.635 152 HB ILE 23 HB ILE 23 -9.077 -2.126 -8.660 153 HG12 ILE 23 1HG1 ILE 23 -8.581 -4.726 -9.040 154 HG13 ILE 23 2HG1 ILE 23 -7.210 -4.349 -8.003 155 HG21 ILE 23 1HG2 ILE 23 -8.953 -2.733 -10.857 156 HG22 ILE 23 2HG2 ILE 23 -7.461 -1.804 -10.722 157 HG23 ILE 23 3HG2 ILE 23 -7.411 -3.565 -10.655 158 HD11 ILE 23 3HD1 ILE 23 -9.815 -4.956 -7.226 159 HD12 ILE 23 1HD1 ILE 23 -8.495 -4.385 -6.205 160 HD13 ILE 23 2HD1 ILE 23 -9.620 -3.230 -6.920 161 H ALA 24 H ALA 24 -6.012 -0.629 -10.230 162 HA ALA 24 HA ALA 24 -6.709 2.046 -9.321 163 HB1 ALA 24 3HB ALA 24 -5.083 1.064 -11.658 164 HB2 ALA 24 1HB ALA 24 -5.408 2.766 -11.330 165 HB3 ALA 24 2HB ALA 24 -4.493 1.804 -10.170 166 H LEU 25 H LEU 25 -8.459 3.106 -9.971 167 HA LEU 25 HA LEU 25 -10.347 1.955 -11.741 168 HB2 LEU 25 1HB LEU 25 -10.182 4.798 -10.751 169 HB3 LEU 25 2HB LEU 25 -11.597 4.021 -11.457 170 HG LEU 25 HG LEU 25 -10.374 2.914 -8.961 171 HD11 LEU 25 1HD1 LEU 25 -11.916 4.342 -7.660 172 HD12 LEU 25 2HD1 LEU 25 -12.265 5.255 -9.127 173 HD13 LEU 25 3HD1 LEU 25 -10.634 5.254 -8.456 174 HD21 LEU 25 3HD2 LEU 25 -13.194 3.013 -10.030 175 HD22 LEU 25 1HD2 LEU 25 -12.669 2.197 -8.557 176 HD23 LEU 25 2HD2 LEU 25 -12.099 1.633 -10.129 177 H TYR 26 H TYR 26 -7.821 4.351 -12.129 178 HA TYR 26 HA TYR 26 -8.352 4.348 -15.021 179 HB2 TYR 26 1HB TYR 26 -7.306 6.820 -13.692 180 HB3 TYR 26 2HB TYR 26 -8.165 6.656 -15.219 181 HD1 TYR 26 2HD TYR 26 -8.547 6.741 -11.555 182 HD2 TYR 26 1HD TYR 26 -10.555 6.709 -15.306 183 HE1 TYR 26 2HE TYR 26 -10.649 7.347 -10.429 184 HE2 TYR 26 1HE TYR 26 -12.662 7.315 -14.190 185 HH TYR 26 HH TYR 26 -12.794 8.417 -10.988 186 H ASP 27 H ASP 27 -6.393 5.310 -16.220 187 HA ASP 27 HA ASP 27 -4.023 3.939 -15.203 188 HB2 ASP 27 1HB ASP 27 -3.194 4.593 -17.601 189 HB3 ASP 27 2HB ASP 27 -4.347 3.277 -17.399 190 H TYR 28 H TYR 28 -3.826 5.705 -13.562 191 HA TYR 28 HA TYR 28 -3.357 8.347 -13.981 192 HB2 TYR 28 1HB TYR 28 -3.300 7.313 -11.762 193 HB3 TYR 28 2HB TYR 28 -1.772 6.531 -12.151 194 HD1 TYR 28 2HD TYR 28 -3.009 10.031 -12.606 195 HD2 TYR 28 1HD TYR 28 -0.091 7.464 -10.874 196 HE1 TYR 28 2HE TYR 28 -1.794 11.994 -11.757 197 HE2 TYR 28 1HE TYR 28 1.131 9.419 -10.019 198 HH TYR 28 HH TYR 28 0.544 12.557 -11.069 199 H GLN 29 H GLN 29 -1.586 9.655 -14.481 200 HA GLN 29 HA GLN 29 0.609 8.288 -15.895 201 HB2 GLN 29 1HB GLN 29 -1.028 10.670 -16.638 202 HB3 GLN 29 2HB GLN 29 0.656 10.623 -17.139 203 HG2 GLN 29 1HG GLN 29 0.329 8.857 -18.564 204 HG3 GLN 29 2HG GLN 29 -1.079 8.267 -17.682 205 HE21 GLN 29 1HE2 GLN 29 -2.999 9.738 -17.746 206 HE22 GLN 29 2HE2 GLN 29 -3.347 10.516 -19.249 207 H THR 30 H THR 30 2.610 8.721 -15.225 208 HA THR 30 HA THR 30 3.434 11.235 -14.190 209 HB THR 30 HB THR 30 2.277 10.568 -12.180 210 HG1 THR 30 1HG THR 30 4.154 11.574 -11.644 211 HG21 THR 30 3HG2 THR 30 3.207 7.959 -12.903 212 HG22 THR 30 1HG2 THR 30 2.028 8.413 -11.672 213 HG23 THR 30 2HG2 THR 30 3.743 8.336 -11.266 214 H ASN 31 H ASN 31 5.396 11.354 -15.049 215 HA ASN 31 HA ASN 31 7.024 8.924 -15.250 216 HB2 ASN 31 1HB ASN 31 7.443 11.613 -16.575 217 HB3 ASN 31 2HB ASN 31 8.341 10.134 -16.905 218 HD21 ASN 31 1HD2 ASN 31 5.646 12.006 -17.686 219 HD22 ASN 31 2HD2 ASN 31 4.875 10.894 -18.759 220 H ASP 32 H ASP 32 6.746 10.149 -12.713 221 HA ASP 32 HA ASP 32 9.380 11.391 -12.297 222 HB2 ASP 32 1HB ASP 32 8.464 12.142 -10.116 223 HB3 ASP 32 2HB ASP 32 7.543 12.754 -11.487 224 HA PRO 33 HA PRO 33 10.854 7.746 -10.323 225 HB2 PRO 33 1HB PRO 33 12.801 8.844 -8.781 226 HB3 PRO 33 2HB PRO 33 12.951 8.662 -10.533 227 HG2 PRO 33 1HG PRO 33 12.198 11.081 -8.939 228 HG3 PRO 33 2HG PRO 33 13.284 10.955 -10.335 229 HD2 PRO 33 1HD PRO 33 10.733 11.837 -10.549 230 HD3 PRO 33 2HD PRO 33 11.545 10.936 -11.846 231 H GLN 34 H GLN 34 9.291 10.267 -8.682 232 HA GLN 34 HA GLN 34 9.476 8.976 -6.071 233 HB2 GLN 34 1HB GLN 34 8.103 11.538 -6.904 234 HB3 GLN 34 2HB GLN 34 8.232 10.943 -5.254 235 HG2 GLN 34 1HG GLN 34 9.968 12.393 -5.249 236 HG3 GLN 34 2HG GLN 34 10.809 10.958 -5.832 237 HE21 GLN 34 1HE2 GLN 34 12.029 13.204 -6.372 238 HE22 GLN 34 2HE2 GLN 34 11.840 13.677 -8.022 239 H GLU 35 H GLU 35 7.057 9.838 -8.511 240 HA GLU 35 HA GLU 35 5.107 8.146 -7.102 241 HB2 GLU 35 1HB GLU 35 4.462 10.052 -9.341 242 HB3 GLU 35 2HB GLU 35 3.372 9.367 -8.143 243 HG2 GLU 35 1HG GLU 35 4.114 10.791 -6.466 244 HG3 GLU 35 2HG GLU 35 5.608 11.173 -7.319 245 H LEU 36 H LEU 36 3.806 6.682 -8.326 246 HA LEU 36 HA LEU 36 5.180 5.695 -10.733 247 HB2 LEU 36 1HB LEU 36 5.153 4.125 -8.879 248 HB3 LEU 36 2HB LEU 36 3.398 4.251 -8.775 249 HG LEU 36 HG LEU 36 3.585 3.395 -11.291 250 HD11 LEU 36 1HD1 LEU 36 6.217 3.317 -10.625 251 HD12 LEU 36 2HD1 LEU 36 5.464 2.317 -11.866 252 HD13 LEU 36 3HD1 LEU 36 5.712 1.671 -10.244 253 HD21 LEU 36 3HD2 LEU 36 2.244 2.101 -9.987 254 HD22 LEU 36 1HD2 LEU 36 3.423 1.998 -8.679 255 HD23 LEU 36 2HD2 LEU 36 3.621 1.007 -10.125 256 H ALA 37 H ALA 37 3.932 4.949 -12.507 257 HA ALA 37 HA ALA 37 1.423 6.410 -12.814 258 HB1 ALA 37 3HB ALA 37 1.662 5.918 -15.201 259 HB2 ALA 37 1HB ALA 37 3.107 6.691 -14.548 260 HB3 ALA 37 2HB ALA 37 3.098 4.954 -14.857 261 H LEU 38 H LEU 38 -0.205 5.264 -11.902 262 HA LEU 38 HA LEU 38 -0.429 2.467 -11.856 263 HB2 LEU 38 1HB LEU 38 -2.492 4.643 -11.609 264 HB3 LEU 38 2HB LEU 38 -2.864 2.935 -11.389 265 HG LEU 38 HG LEU 38 -0.765 4.303 -9.734 266 HD11 LEU 38 1HD1 LEU 38 -3.742 4.344 -9.391 267 HD12 LEU 38 2HD1 LEU 38 -2.589 5.672 -9.263 268 HD13 LEU 38 3HD1 LEU 38 -2.655 4.437 -8.005 269 HD21 LEU 38 3HD2 LEU 38 -0.720 1.918 -9.622 270 HD22 LEU 38 1HD2 LEU 38 -2.469 1.840 -9.406 271 HD23 LEU 38 2HD2 LEU 38 -1.453 2.512 -8.131 272 H ARG 39 H ARG 39 -2.145 1.179 -12.915 273 HA ARG 39 HA ARG 39 -2.621 2.077 -15.681 274 HB2 ARG 39 1HB ARG 39 -0.912 0.351 -15.676 275 HB3 ARG 39 2HB ARG 39 -1.936 -0.701 -14.708 276 HG2 ARG 39 1HG ARG 39 -2.298 -1.590 -16.769 277 HG3 ARG 39 2HG ARG 39 -3.590 -0.389 -16.733 278 HD2 ARG 39 1HD ARG 39 -2.060 1.192 -17.900 279 HD3 ARG 39 2HD ARG 39 -0.890 -0.118 -18.046 280 HE ARG 39 HE ARG 39 -3.360 -0.949 -19.106 281 HH11 ARG 39 1HH1 ARG 39 -0.725 1.221 -19.790 282 HH12 ARG 39 2HH1 ARG 39 -0.944 1.156 -21.507 283 HH21 ARG 39 1HH2 ARG 39 -3.660 -1.043 -21.365 284 HH22 ARG 39 2HH2 ARG 39 -2.615 -0.132 -22.402 285 H ARG 40 H ARG 40 -4.591 1.560 -16.615 286 HA ARG 40 HA ARG 40 -6.804 1.376 -14.873 287 HB2 ARG 40 1HB ARG 40 -6.928 2.489 -17.053 288 HB3 ARG 40 2HB ARG 40 -6.670 0.950 -17.863 289 HG2 ARG 40 1HG ARG 40 -8.780 0.136 -17.219 290 HG3 ARG 40 2HG ARG 40 -9.000 1.426 -16.034 291 HD2 ARG 40 1HD ARG 40 -9.492 3.002 -17.644 292 HD3 ARG 40 2HD ARG 40 -8.635 2.125 -18.911 293 HE ARG 40 HE ARG 40 -10.675 0.470 -18.348 294 HH11 ARG 40 1HH1 ARG 40 -10.544 3.883 -19.023 295 HH12 ARG 40 2HH1 ARG 40 -12.119 3.934 -19.742 296 HH21 ARG 40 1HH2 ARG 40 -12.751 0.525 -19.293 297 HH22 ARG 40 2HH2 ARG 40 -13.374 2.024 -19.894 298 H ASN 41 H ASN 41 -7.873 -0.319 -14.072 299 HA ASN 41 HA ASN 41 -8.499 -2.457 -13.617 300 HB2 ASN 41 1HB ASN 41 -7.991 -2.534 -16.554 301 HB3 ASN 41 2HB ASN 41 -8.179 -4.070 -15.714 302 HD21 ASN 41 1HD2 ASN 41 -9.976 -3.590 -17.564 303 HD22 ASN 41 2HD2 ASN 41 -11.498 -3.132 -16.888 304 H GLU 42 H GLU 42 -5.943 -1.697 -12.836 305 HA GLU 42 HA GLU 42 -4.506 -4.257 -13.053 306 HB2 GLU 42 1HB GLU 42 -3.500 -1.485 -13.450 307 HB3 GLU 42 2HB GLU 42 -2.444 -2.619 -12.621 308 HG2 GLU 42 1HG GLU 42 -3.524 -2.775 -15.411 309 HG3 GLU 42 2HG GLU 42 -1.844 -2.734 -14.881 310 H GLU 43 H GLU 43 -3.965 -5.169 -11.169 311 HA GLU 43 HA GLU 43 -4.748 -3.862 -8.717 312 HB2 GLU 43 1HB GLU 43 -3.455 -6.566 -9.108 313 HB3 GLU 43 2HB GLU 43 -4.246 -5.988 -7.648 314 HG2 GLU 43 1HG GLU 43 -5.901 -7.275 -8.540 315 HG3 GLU 43 2HG GLU 43 -6.305 -5.708 -9.238 316 H TYR 44 H TYR 44 -3.332 -3.744 -6.838 317 HA TYR 44 HA TYR 44 -0.472 -3.764 -7.319 318 HB2 TYR 44 1HB TYR 44 -2.005 -1.232 -6.735 319 HB3 TYR 44 2HB TYR 44 -0.277 -1.388 -6.436 320 HD1 TYR 44 1HD TYR 44 -2.870 -1.397 -9.070 321 HD2 TYR 44 2HD TYR 44 1.295 -1.247 -8.213 322 HE1 TYR 44 1HE TYR 44 -2.417 -0.788 -11.409 323 HE2 TYR 44 2HE TYR 44 1.759 -0.636 -10.550 324 HH TYR 44 HH TYR 44 0.498 -1.014 -12.836 325 H CYS 45 H CYS 45 0.571 -4.422 -5.552 326 HA CYS 45 HA CYS 45 -0.873 -5.004 -3.160 327 HB2 CYS 45 1HB CYS 45 1.013 -6.164 -2.472 328 HB3 CYS 45 2HB CYS 45 1.180 -6.227 -4.222 329 HG CYS 45 HG CYS 45 3.456 -5.423 -2.223 330 H LEU 46 H LEU 46 -1.050 -3.864 -1.331 331 HA LEU 46 HA LEU 46 -0.048 -1.170 -1.261 332 HB2 LEU 46 1HB LEU 46 -2.280 -1.712 -0.440 333 HB3 LEU 46 2HB LEU 46 -1.581 -2.761 0.792 334 HG LEU 46 HG LEU 46 -0.582 -0.830 1.891 335 HD11 LEU 46 1HD1 LEU 46 -1.761 0.657 -0.433 336 HD12 LEU 46 2HD1 LEU 46 -0.102 0.676 0.163 337 HD13 LEU 46 3HD1 LEU 46 -1.382 1.455 1.093 338 HD21 LEU 46 3HD2 LEU 46 -2.512 -0.079 2.915 339 HD22 LEU 46 1HD2 LEU 46 -3.044 -1.600 2.199 340 HD23 LEU 46 2HD2 LEU 46 -3.434 -0.071 1.411 341 H LEU 47 H LEU 47 2.058 -0.907 -0.842 342 HA LEU 47 HA LEU 47 3.523 -2.657 0.895 343 HB2 LEU 47 1HB LEU 47 4.308 -0.011 -0.318 344 HB3 LEU 47 2HB LEU 47 5.401 -1.141 0.479 345 HG LEU 47 HG LEU 47 3.850 -1.840 -2.005 346 HD11 LEU 47 1HD1 LEU 47 6.311 -1.532 -2.947 347 HD12 LEU 47 2HD1 LEU 47 6.371 -0.319 -1.669 348 HD13 LEU 47 3HD1 LEU 47 5.140 -0.213 -2.926 349 HD21 LEU 47 3HD2 LEU 47 4.731 -3.677 -0.572 350 HD22 LEU 47 1HD2 LEU 47 6.354 -3.039 -0.833 351 HD23 LEU 47 2HD2 LEU 47 5.414 -3.643 -2.198 352 H ASP 48 H ASP 48 3.176 0.887 1.046 353 HA ASP 48 HA ASP 48 2.687 0.668 3.929 354 HB2 ASP 48 1HB ASP 48 4.922 2.133 2.581 355 HB3 ASP 48 2HB ASP 48 4.225 2.801 4.054 356 H SER 49 H SER 49 1.096 1.951 4.621 357 HA SER 49 HA SER 49 0.062 3.973 2.752 358 HB2 SER 49 1HB SER 49 -2.086 3.726 3.935 359 HB3 SER 49 2HB SER 49 -1.522 2.181 3.299 360 HG SER 49 HG SER 49 -1.449 3.107 5.972 361 H SER 50 H SER 50 2.285 4.438 4.557 362 HA SER 50 HA SER 50 1.805 5.664 6.930 363 HB2 SER 50 1HB SER 50 4.011 5.439 5.563 364 HB3 SER 50 2HB SER 50 3.594 7.037 4.943 365 HG SER 50 HG SER 50 4.933 7.078 6.840 366 H GLU 51 H GLU 51 1.485 7.189 3.734 367 HA GLU 51 HA GLU 51 0.311 9.564 4.932 368 HB2 GLU 51 1HB GLU 51 1.303 8.812 2.225 369 HB3 GLU 51 2HB GLU 51 0.086 10.077 2.330 370 HG2 GLU 51 1HG GLU 51 2.515 10.219 4.054 371 HG3 GLU 51 2HG GLU 51 2.613 10.680 2.356 372 H ILE 52 H ILE 52 -1.622 10.446 3.461 373 HA ILE 52 HA ILE 52 -3.656 8.318 3.497 374 HB ILE 52 HB ILE 52 -4.041 11.301 3.784 375 HG12 ILE 52 1HG1 ILE 52 -4.462 9.155 5.866 376 HG13 ILE 52 2HG1 ILE 52 -2.960 10.060 5.719 377 HG21 ILE 52 1HG2 ILE 52 -5.858 9.199 3.090 378 HG22 ILE 52 2HG2 ILE 52 -6.303 9.882 4.653 379 HG23 ILE 52 3HG2 ILE 52 -6.161 10.929 3.242 380 HD11 ILE 52 3HD1 ILE 52 -5.080 10.750 7.282 381 HD12 ILE 52 1HD1 ILE 52 -3.813 11.848 6.736 382 HD13 ILE 52 2HD1 ILE 52 -5.334 11.747 5.849 383 H HIS 53 H HIS 53 -2.855 11.347 1.793 384 HA HIS 53 HA HIS 53 -4.540 10.707 -0.436 385 HB2 HIS 53 1HB HIS 53 -2.355 12.781 -0.440 386 HB3 HIS 53 2HB HIS 53 -3.855 12.773 -1.363 387 HD1 HIS 53 1HD HIS 53 -6.090 13.100 0.147 388 HD2 HIS 53 2HD HIS 53 -2.475 14.177 1.890 389 HE1 HIS 53 1HE HIS 53 -6.694 14.581 2.088 390 HE2 HIS 53 2HE HIS 53 -4.488 15.289 3.075 391 H TRP 54 H TRP 54 -1.218 10.183 0.408 392 HA TRP 54 HA TRP 54 -0.736 9.058 -2.273 393 HB2 TRP 54 1HB TRP 54 1.354 10.098 -0.351 394 HB3 TRP 54 2HB TRP 54 1.616 9.554 -2.005 395 HD1 TRP 54 HD TRP 54 1.218 12.633 -0.099 396 HE1 TRP 54 1HE TRP 54 0.637 14.616 -1.634 397 HE3 TRP 54 3HE TRP 54 -0.054 10.046 -4.321 398 HZ2 TRP 54 2HZ TRP 54 -0.244 15.029 -4.284 399 HZ3 TRP 54 3HZ TRP 54 -0.755 11.310 -6.313 400 HH2 TRP 54 HH TRP 54 -0.848 13.750 -6.292 401 H TRP 55 H TRP 55 -0.552 6.925 -2.340 402 HA TRP 55 HA TRP 55 0.280 5.513 0.110 403 HB2 TRP 55 1HB TRP 55 -1.827 4.878 -1.923 404 HB3 TRP 55 2HB TRP 55 -1.036 3.564 -1.057 405 HD1 TRP 55 HD TRP 55 -1.134 6.221 1.374 406 HE1 TRP 55 1HE TRP 55 -3.182 6.033 2.922 407 HE3 TRP 55 3HE TRP 55 -3.913 2.908 -1.354 408 HZ2 TRP 55 2HZ TRP 55 -5.649 4.662 2.979 409 HZ3 TRP 55 3HZ TRP 55 -6.105 2.208 -0.482 410 HH2 TRP 55 HH TRP 55 -6.953 3.068 1.640 411 H ARG 56 H ARG 56 1.746 3.839 -0.066 412 HA ARG 56 HA ARG 56 3.275 3.802 -2.557 413 HB2 ARG 56 1HB ARG 56 4.329 4.184 -0.256 414 HB3 ARG 56 2HB ARG 56 4.046 2.473 0.034 415 HG2 ARG 56 1HG ARG 56 5.349 2.074 -2.126 416 HG3 ARG 56 2HG ARG 56 5.863 3.755 -1.974 417 HD2 ARG 56 1HD ARG 56 6.555 3.114 0.415 418 HD3 ARG 56 2HD ARG 56 6.409 1.446 -0.138 419 HE ARG 56 HE ARG 56 8.004 2.687 -1.994 420 HH11 ARG 56 1HH1 ARG 56 8.109 2.161 1.446 421 HH12 ARG 56 2HH1 ARG 56 9.839 2.134 1.520 422 HH21 ARG 56 1HH2 ARG 56 10.283 2.654 -1.909 423 HH22 ARG 56 2HH2 ARG 56 11.075 2.416 -0.388 424 H VAL 57 H VAL 57 2.932 2.239 -3.979 425 HA VAL 57 HA VAL 57 2.252 -0.449 -3.002 426 HB VAL 57 HB VAL 57 0.627 -0.774 -4.758 427 HG11 VAL 57 1HG1 VAL 57 -0.115 1.862 -3.539 428 HG12 VAL 57 2HG1 VAL 57 -1.133 0.455 -3.854 429 HG13 VAL 57 3HG1 VAL 57 0.051 0.414 -2.547 430 HG21 VAL 57 3HG2 VAL 57 0.274 0.605 -6.521 431 HG22 VAL 57 1HG2 VAL 57 0.583 2.065 -5.580 432 HG23 VAL 57 2HG2 VAL 57 1.932 1.094 -6.171 433 H GLN 58 H GLN 58 2.551 -2.125 -4.736 434 HA GLN 58 HA GLN 58 4.826 -1.408 -6.466 435 HB2 GLN 58 1HB GLN 58 5.372 -2.877 -4.488 436 HB3 GLN 58 2HB GLN 58 4.352 -4.113 -5.212 437 HG2 GLN 58 1HG GLN 58 5.789 -4.254 -7.129 438 HG3 GLN 58 2HG GLN 58 6.756 -2.898 -6.551 439 HE21 GLN 58 1HE2 GLN 58 7.650 -3.250 -4.282 440 HE22 GLN 58 2HE2 GLN 58 8.339 -4.803 -3.971 441 H ASP 59 H ASP 59 4.832 -2.139 -8.549 442 HA ASP 59 HA ASP 59 2.301 -2.934 -9.647 443 HB2 ASP 59 1HB ASP 59 3.986 -1.371 -10.742 444 HB3 ASP 59 2HB ASP 59 4.933 -2.808 -11.117 445 H ARG 60 H ARG 60 2.189 -4.755 -11.256 446 HA ARG 60 HA ARG 60 2.897 -7.187 -9.952 447 HB2 ARG 60 1HB ARG 60 1.529 -8.234 -11.475 448 HB3 ARG 60 2HB ARG 60 0.883 -6.600 -11.544 449 HG2 ARG 60 1HG ARG 60 2.537 -6.271 -13.496 450 HG3 ARG 60 2HG ARG 60 2.593 -8.034 -13.530 451 HD2 ARG 60 1HD ARG 60 -0.058 -6.674 -13.476 452 HD3 ARG 60 2HD ARG 60 0.855 -6.700 -14.985 453 HE ARG 60 HE ARG 60 -0.448 -8.928 -13.699 454 HH11 ARG 60 1HH1 ARG 60 1.980 -7.925 -15.983 455 HH12 ARG 60 2HH1 ARG 60 1.970 -9.425 -16.851 456 HH21 ARG 60 1HH2 ARG 60 -0.471 -10.907 -14.834 457 HH22 ARG 60 2HH2 ARG 60 0.574 -11.120 -16.197 458 H ASN 61 H ASN 61 4.701 -5.135 -11.805 459 HA ASN 61 HA ASN 61 6.353 -7.304 -12.913 460 HB2 ASN 61 1HB ASN 61 5.855 -4.477 -13.761 461 HB3 ASN 61 2HB ASN 61 7.394 -5.232 -14.168 462 HD21 ASN 61 1HD2 ASN 61 5.053 -4.359 -15.798 463 HD22 ASN 61 2HD2 ASN 61 4.637 -5.742 -16.747 464 H GLY 62 H GLY 62 6.417 -4.359 -10.976 465 HA2 GLY 62 1HA GLY 62 8.034 -4.737 -9.017 466 HA3 GLY 62 2HA GLY 62 9.230 -4.907 -10.293 467 H HIS 63 H HIS 63 6.532 -2.620 -10.061 468 HA HIS 63 HA HIS 63 8.507 -0.435 -9.971 469 HB2 HIS 63 1HB HIS 63 5.854 -0.034 -11.286 470 HB3 HIS 63 2HB HIS 63 7.389 0.771 -11.596 471 HD1 HIS 63 1HD HIS 63 5.423 -0.726 -13.692 472 HD2 HIS 63 2HD HIS 63 9.066 -2.079 -12.221 473 HE1 HIS 63 1HE HIS 63 6.270 -2.367 -15.399 474 HE2 HIS 63 2HE HIS 63 8.434 -3.235 -14.446 475 H GLU 64 H GLU 64 8.350 0.732 -8.184 476 HA GLU 64 HA GLU 64 5.753 0.845 -6.800 477 HB2 GLU 64 1HB GLU 64 8.390 1.475 -5.504 478 HB3 GLU 64 2HB GLU 64 6.875 1.009 -4.744 479 HG2 GLU 64 1HG GLU 64 7.180 -1.217 -5.169 480 HG3 GLU 64 2HG GLU 64 8.204 -0.921 -6.573 481 H GLY 65 H GLY 65 5.502 2.885 -5.433 482 HA2 GLY 65 1HA GLY 65 6.734 5.270 -5.711 483 HA3 GLY 65 2HA GLY 65 5.822 5.148 -7.208 484 H TYR 66 H TYR 66 5.384 7.189 -5.380 485 HA TYR 66 HA TYR 66 3.101 6.523 -3.744 486 HB2 TYR 66 1HB TYR 66 4.414 9.166 -4.398 487 HB3 TYR 66 2HB TYR 66 3.060 8.985 -3.288 488 HD1 TYR 66 1HD TYR 66 3.579 6.876 -1.557 489 HD2 TYR 66 2HD TYR 66 6.426 9.490 -3.336 490 HE1 TYR 66 1HE TYR 66 5.144 6.415 0.284 491 HE2 TYR 66 2HE TYR 66 7.999 9.035 -1.501 492 HH TYR 66 HH TYR 66 8.385 7.867 0.347 493 H VAL 67 H VAL 67 1.123 6.318 -4.531 494 HA VAL 67 HA VAL 67 0.346 7.969 -6.847 495 HB VAL 67 HB VAL 67 -1.365 6.034 -7.210 496 HG11 VAL 67 1HG1 VAL 67 -0.076 6.047 -9.031 497 HG12 VAL 67 2HG1 VAL 67 1.368 6.454 -8.102 498 HG13 VAL 67 3HG1 VAL 67 0.859 4.772 -8.250 499 HG21 VAL 67 3HG2 VAL 67 -0.443 4.974 -5.004 500 HG22 VAL 67 1HG2 VAL 67 -0.883 3.945 -6.368 501 HG23 VAL 67 2HG2 VAL 67 0.810 4.337 -6.069 502 HA PRO 68 HA PRO 68 -3.034 9.535 -4.527 503 HB2 PRO 68 1HB PRO 68 -4.949 9.772 -6.437 504 HB3 PRO 68 2HB PRO 68 -3.541 10.837 -6.352 505 HG2 PRO 68 1HG PRO 68 -4.006 8.446 -8.092 506 HG3 PRO 68 2HG PRO 68 -3.299 10.016 -8.514 507 HD2 PRO 68 1HD PRO 68 -1.789 7.821 -8.035 508 HD3 PRO 68 2HD PRO 68 -1.236 9.463 -7.647 509 H SER 69 H SER 69 -3.687 7.983 -3.081 510 HA SER 69 HA SER 69 -4.704 5.523 -3.366 511 HB2 SER 69 1HB SER 69 -6.004 5.853 -1.320 512 HB3 SER 69 2HB SER 69 -4.443 6.662 -1.187 513 HG SER 69 HG SER 69 -5.432 8.614 -1.510 514 H SER 70 H SER 70 -6.417 8.500 -4.081 515 HA SER 70 HA SER 70 -9.018 7.735 -4.279 516 HB2 SER 70 1HB SER 70 -7.403 9.520 -6.100 517 HB3 SER 70 2HB SER 70 -9.146 9.321 -6.280 518 HG SER 70 HG SER 70 -8.899 11.046 -4.956 519 H TYR 71 H TYR 71 -6.551 7.286 -6.804 520 HA TYR 71 HA TYR 71 -8.239 5.951 -8.626 521 HB2 TYR 71 1HB TYR 71 -5.249 6.071 -8.295 522 HB3 TYR 71 2HB TYR 71 -5.996 5.088 -9.550 523 HD1 TYR 71 1HD TYR 71 -6.862 8.488 -8.274 524 HD2 TYR 71 2HD TYR 71 -5.568 6.134 -11.574 525 HE1 TYR 71 1HE TYR 71 -7.002 10.464 -9.731 526 HE2 TYR 71 2HE TYR 71 -5.703 8.104 -13.040 527 HH TYR 71 HH TYR 71 -5.914 10.356 -13.082 528 H LEU 72 H LEU 72 -5.986 4.745 -6.166 529 HA LEU 72 HA LEU 72 -6.427 1.996 -6.733 530 HB2 LEU 72 1HB LEU 72 -5.382 3.350 -4.250 531 HB3 LEU 72 2HB LEU 72 -5.339 1.612 -4.543 532 HG LEU 72 HG LEU 72 -3.913 3.664 -6.233 533 HD11 LEU 72 1HD1 LEU 72 -1.941 2.317 -5.035 534 HD12 LEU 72 2HD1 LEU 72 -3.149 2.250 -3.752 535 HD13 LEU 72 3HD1 LEU 72 -2.619 3.809 -4.383 536 HD21 LEU 72 3HD2 LEU 72 -4.480 0.859 -6.555 537 HD22 LEU 72 1HD2 LEU 72 -2.742 1.139 -6.457 538 HD23 LEU 72 2HD2 LEU 72 -3.704 1.983 -7.671 539 H VAL 73 H VAL 73 -7.959 0.630 -6.045 540 HA VAL 73 HA VAL 73 -9.849 1.594 -3.997 541 HB VAL 73 HB VAL 73 -11.682 0.725 -5.143 542 HG11 VAL 73 1HG1 VAL 73 -11.723 2.221 -6.793 543 HG12 VAL 73 2HG1 VAL 73 -10.022 2.526 -6.439 544 HG13 VAL 73 3HG1 VAL 73 -10.469 1.369 -7.693 545 HG21 VAL 73 3HG2 VAL 73 -11.330 -0.700 -7.246 546 HG22 VAL 73 1HG2 VAL 73 -9.680 -0.917 -6.660 547 HG23 VAL 73 2HG2 VAL 73 -11.043 -1.461 -5.681 548 H GLU 74 H GLU 74 -10.325 0.244 -2.354 549 HA GLU 74 HA GLU 74 -8.694 -1.862 -1.657 550 HB2 GLU 74 1HB GLU 74 -10.398 -0.581 -0.228 551 HB3 GLU 74 2HB GLU 74 -11.583 -1.737 -0.819 552 HG2 GLU 74 1HG GLU 74 -9.759 -3.465 0.019 553 HG3 GLU 74 2HG GLU 74 -9.335 -2.116 1.071 554 H LYS 75 H LYS 75 -8.342 -3.665 -2.767 555 HA LYS 75 HA LYS 75 -10.180 -4.795 -4.601 556 HB2 LYS 75 1HB LYS 75 -7.612 -5.015 -4.526 557 HB3 LYS 75 2HB LYS 75 -7.891 -6.302 -3.360 558 HG2 LYS 75 1HG LYS 75 -9.364 -6.412 -5.934 559 HG3 LYS 75 2HG LYS 75 -7.639 -6.786 -5.940 560 HD2 LYS 75 1HD LYS 75 -8.058 -8.437 -4.122 561 HD3 LYS 75 2HD LYS 75 -9.787 -8.130 -4.302 562 HE2 LYS 75 1HE LYS 75 -8.153 -8.899 -6.683 563 HE3 LYS 75 2HE LYS 75 -8.675 -10.138 -5.543 564 HZ1 LYS 75 3HZ LYS 75 -10.132 -9.269 -7.623 565 HZ2 LYS 75 1HZ LYS 75 -10.758 -8.318 -6.371 566 HZ3 LYS 75 2HZ LYS 75 -10.780 -10.005 -6.245 567 H SER 76 H SER 76 -11.883 -6.042 -4.230 568 HA SER 76 HA SER 76 -11.869 -8.036 -2.147 569 HB2 SER 76 1HB SER 76 -13.588 -7.205 -0.791 570 HB3 SER 76 2HB SER 76 -12.613 -5.772 -1.115 571 HG SER 76 HG SER 76 -15.125 -5.928 -1.494 572 HA PRO 77 HA PRO 77 -14.418 -10.085 -5.084 573 HB2 PRO 77 1HB PRO 77 -15.616 -11.903 -3.462 574 HB3 PRO 77 2HB PRO 77 -13.921 -12.021 -3.950 575 HG2 PRO 77 1HG PRO 77 -15.090 -10.980 -1.398 576 HG3 PRO 77 2HG PRO 77 -13.679 -12.027 -1.637 577 HD2 PRO 77 1HD PRO 77 -13.458 -9.370 -1.164 578 HD3 PRO 77 2HD PRO 77 -12.301 -10.259 -2.175 579 H ASN 78 H ASN 78 -15.793 -8.627 -2.231 580 HA ASN 78 HA ASN 78 -18.143 -7.845 -3.688 581 HB2 ASN 78 1HB ASN 78 -19.786 -9.031 -2.547 582 HB3 ASN 78 2HB ASN 78 -18.524 -10.245 -2.734 583 HD21 ASN 78 1HD2 ASN 78 -17.576 -11.096 -0.967 584 HD22 ASN 78 2HD2 ASN 78 -17.994 -10.678 0.656 585 H ASN 79 H ASN 79 -18.805 -5.909 -2.992 586 HA ASN 79 HA ASN 79 -17.467 -4.297 -1.286 587 HB2 ASN 79 1HB ASN 79 -20.365 -4.361 -2.062 588 HB3 ASN 79 2HB ASN 79 -19.791 -3.159 -0.910 589 HD21 ASN 79 1HD2 ASN 79 -20.831 -2.961 -3.690 590 HD22 ASN 79 2HD2 ASN 79 -19.631 -2.064 -4.551 591 H LEU 80 H LEU 80 -17.408 -3.824 0.870 592 HA LEU 80 HA LEU 80 -17.916 -5.835 2.728 593 HB2 LEU 80 1HB LEU 80 -17.542 -4.092 4.440 594 HB3 LEU 80 2HB LEU 80 -16.305 -4.125 3.184 595 HG LEU 80 HG LEU 80 -17.669 -2.204 2.116 596 HD11 LEU 80 1HD1 LEU 80 -19.417 -1.382 3.204 597 HD12 LEU 80 2HD1 LEU 80 -18.477 -1.208 4.685 598 HD13 LEU 80 3HD1 LEU 80 -19.293 -2.731 4.333 599 HD21 LEU 80 3HD2 LEU 80 -16.154 -0.758 2.987 600 HD22 LEU 80 1HD2 LEU 80 -15.431 -2.258 3.569 601 HD23 LEU 80 2HD2 LEU 80 -16.435 -1.287 4.647 602 H GLU 81 H GLU 81 -19.428 -5.950 4.469 603 HA GLU 81 HA GLU 81 -21.950 -4.510 3.983 604 HB2 GLU 81 1HB GLU 81 -21.558 -7.441 4.582 605 HB3 GLU 81 2HB GLU 81 -23.105 -6.627 4.769 606 HG2 GLU 81 1HG GLU 81 -23.245 -6.168 2.449 607 HG3 GLU 81 2HG GLU 81 -21.573 -6.661 2.186 608 H THR 82 H THR 82 -21.214 -3.056 5.644 609 HA THR 82 HA THR 82 -21.825 -4.077 8.321 610 HB THR 82 HB THR 82 -19.961 -2.754 9.294 611 HG1 THR 82 1HG THR 82 -19.532 -2.212 6.579 612 HG21 THR 82 3HG2 THR 82 -18.844 -4.708 7.302 613 HG22 THR 82 1HG2 THR 82 -19.825 -5.235 8.668 614 HG23 THR 82 2HG2 THR 82 -18.305 -4.386 8.949 615 H TYR 83 H TYR 83 -23.564 -2.946 8.890 616 HA TYR 83 HA TYR 83 -23.456 -0.024 8.669 617 HB2 TYR 83 1HB TYR 83 -25.786 -1.757 7.828 618 HB3 TYR 83 2HB TYR 83 -25.871 -0.010 8.023 619 HD1 TYR 83 2HD TYR 83 -24.466 -2.743 5.998 620 HD2 TYR 83 1HD TYR 83 -24.937 1.469 6.377 621 HE1 TYR 83 2HE TYR 83 -23.703 -2.455 3.678 622 HE2 TYR 83 1HE TYR 83 -24.177 1.769 4.057 623 HH TYR 83 HH TYR 83 -22.509 -0.180 2.402 624 H GLU 84 H GLU 84 -23.915 0.936 10.535 625 HA GLU 84 HA GLU 84 -25.300 -0.636 12.604 626 HB2 GLU 84 1HB GLU 84 -22.937 0.031 13.080 627 HB3 GLU 84 2HB GLU 84 -23.442 1.713 13.003 628 HG2 GLU 84 1HG GLU 84 -24.966 1.338 14.879 629 HG3 GLU 84 2HG GLU 84 -24.440 -0.342 14.962 630 H TRP 85 H TRP 85 -27.391 -0.033 11.967 631 HA TRP 85 HA TRP 85 -28.060 2.811 12.038 632 HB2 TRP 85 1HB TRP 85 -30.030 2.286 10.907 633 HB3 TRP 85 2HB TRP 85 -28.891 1.111 10.256 634 HD1 TRP 85 HD TRP 85 -32.090 1.376 12.251 635 HE1 TRP 85 1HE TRP 85 -33.012 -0.986 12.698 636 HE3 TRP 85 3HE TRP 85 -28.082 -1.373 10.665 637 HZ2 TRP 85 2HZ TRP 85 -32.153 -3.660 12.417 638 HZ3 TRP 85 3HZ TRP 85 -28.213 -3.827 10.788 639 HH2 TRP 85 HH TRP 85 -30.206 -4.945 11.647 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -25.312 -33.907 -2.206 2 HA2 GLY 1 1HA GLY 1 -26.895 -35.600 -2.547 3 HA3 GLY 1 2HA GLY 1 -28.026 -34.716 -1.534 4 H SER 2 H SER 2 -26.302 -34.220 -4.619 5 HA SER 2 HA SER 2 -28.877 -33.500 -5.835 6 HB2 SER 2 1HB SER 2 -27.587 -31.433 -5.259 7 HB3 SER 2 2HB SER 2 -26.299 -31.991 -6.327 8 HG SER 2 HG SER 2 -27.783 -30.529 -7.341 9 H SER 3 H SER 3 -29.266 -34.627 -7.617 10 HA SER 3 HA SER 3 -27.250 -36.353 -8.719 11 HB2 SER 3 1HB SER 3 -29.557 -37.135 -8.535 12 HB3 SER 3 2HB SER 3 -30.103 -35.833 -9.592 13 HG SER 3 HG SER 3 -29.861 -37.512 -10.942 14 H GLY 4 H GLY 4 -25.740 -35.562 -10.033 15 HA2 GLY 4 1HA GLY 4 -25.045 -34.808 -12.159 16 HA3 GLY 4 2HA GLY 4 -26.595 -34.003 -12.354 17 H SER 5 H SER 5 -23.942 -32.927 -12.815 18 HA SER 5 HA SER 5 -24.263 -30.445 -11.428 19 HB2 SER 5 1HB SER 5 -22.064 -30.430 -10.316 20 HB3 SER 5 2HB SER 5 -23.096 -31.709 -9.676 21 HG SER 5 HG SER 5 -21.718 -33.135 -10.367 22 H SER 6 H SER 6 -23.045 -28.765 -12.339 23 HA SER 6 HA SER 6 -22.205 -29.261 -15.046 24 HB2 SER 6 1HB SER 6 -22.246 -26.723 -13.397 25 HB3 SER 6 2HB SER 6 -21.845 -26.794 -15.113 26 HG SER 6 HG SER 6 -24.001 -26.314 -14.968 27 H GLY 7 H GLY 7 -20.270 -30.174 -15.355 28 HA2 GLY 7 1HA GLY 7 -18.064 -29.742 -13.558 29 HA3 GLY 7 2HA GLY 7 -18.037 -30.693 -15.036 30 H GLU 8 H GLU 8 -16.677 -28.114 -13.613 31 HA GLU 8 HA GLU 8 -15.509 -27.158 -16.015 32 HB2 GLU 8 1HB GLU 8 -17.775 -26.051 -16.078 33 HB3 GLU 8 2HB GLU 8 -17.317 -25.185 -14.619 34 HG2 GLU 8 1HG GLU 8 -16.838 -23.663 -16.278 35 HG3 GLU 8 2HG GLU 8 -15.272 -24.418 -15.990 36 H ASP 9 H ASP 9 -13.526 -26.496 -15.518 37 HA ASP 9 HA ASP 9 -12.884 -25.970 -12.721 38 HB2 ASP 9 1HB ASP 9 -11.221 -26.586 -15.155 39 HB3 ASP 9 2HB ASP 9 -10.490 -26.010 -13.659 40 H ASN 10 H ASN 10 -11.510 -24.173 -12.125 41 HA ASN 10 HA ASN 10 -11.670 -21.881 -13.960 42 HB2 ASN 10 1HB ASN 10 -12.102 -20.466 -11.876 43 HB3 ASN 10 2HB ASN 10 -13.444 -21.448 -12.456 44 HD21 ASN 10 1HD2 ASN 10 -11.475 -20.682 -9.838 45 HD22 ASN 10 2HD2 ASN 10 -12.005 -21.920 -8.755 46 H ARG 11 H ARG 11 -10.082 -20.237 -13.614 47 HA ARG 11 HA ARG 11 -7.564 -21.322 -12.702 48 HB2 ARG 11 1HB ARG 11 -8.364 -18.769 -14.081 49 HB3 ARG 11 2HB ARG 11 -6.731 -19.017 -13.478 50 HG2 ARG 11 1HG ARG 11 -6.502 -19.688 -15.651 51 HG3 ARG 11 2HG ARG 11 -6.871 -21.226 -14.868 52 HD2 ARG 11 1HD ARG 11 -8.214 -21.104 -16.823 53 HD3 ARG 11 2HD ARG 11 -9.281 -20.828 -15.447 54 HE ARG 11 HE ARG 11 -9.620 -18.667 -16.169 55 HH11 ARG 11 1HH1 ARG 11 -7.032 -20.133 -17.977 56 HH12 ARG 11 2HH1 ARG 11 -6.960 -18.863 -19.154 57 HH21 ARG 11 1HH2 ARG 11 -9.535 -16.989 -17.713 58 HH22 ARG 11 2HH2 ARG 11 -8.384 -17.075 -19.002 59 H ARG 12 H ARG 12 -6.430 -20.743 -10.921 60 HA ARG 12 HA ARG 12 -7.811 -19.528 -8.761 61 HB2 ARG 12 1HB ARG 12 -5.028 -20.538 -9.196 62 HB3 ARG 12 2HB ARG 12 -5.377 -19.567 -7.773 63 HG2 ARG 12 1HG ARG 12 -5.647 -21.733 -7.012 64 HG3 ARG 12 2HG ARG 12 -7.300 -21.233 -7.375 65 HD2 ARG 12 1HD ARG 12 -6.917 -22.283 -9.675 66 HD3 ARG 12 2HD ARG 12 -5.497 -23.041 -8.955 67 HE ARG 12 HE ARG 12 -7.410 -23.737 -7.225 68 HH11 ARG 12 1HH1 ARG 12 -7.306 -23.843 -10.704 69 HH12 ARG 12 2HH1 ARG 12 -8.359 -25.214 -10.823 70 HH21 ARG 12 1HH2 ARG 12 -8.797 -25.542 -7.370 71 HH22 ARG 12 2HH2 ARG 12 -9.207 -26.179 -8.926 72 HA PRO 13 HA PRO 13 -6.825 -15.270 -9.144 73 HB2 PRO 13 1HB PRO 13 -6.407 -14.552 -6.559 74 HB3 PRO 13 2HB PRO 13 -8.009 -14.928 -7.204 75 HG2 PRO 13 1HG PRO 13 -6.154 -16.656 -5.613 76 HG3 PRO 13 2HG PRO 13 -7.908 -16.454 -5.453 77 HD2 PRO 13 1HD PRO 13 -6.795 -18.574 -6.718 78 HD3 PRO 13 2HD PRO 13 -8.359 -17.886 -7.201 79 H LEU 14 H LEU 14 -5.141 -13.733 -9.093 80 HA LEU 14 HA LEU 14 -2.506 -14.871 -9.126 81 HB2 LEU 14 1HB LEU 14 -3.516 -12.063 -9.529 82 HB3 LEU 14 2HB LEU 14 -1.819 -12.519 -9.667 83 HG LEU 14 HG LEU 14 -2.684 -14.198 -11.454 84 HD11 LEU 14 1HD1 LEU 14 -4.670 -12.631 -12.537 85 HD12 LEU 14 2HD1 LEU 14 -5.074 -12.669 -10.821 86 HD13 LEU 14 3HD1 LEU 14 -4.896 -14.176 -11.718 87 HD21 LEU 14 3HD2 LEU 14 -1.703 -12.794 -12.875 88 HD22 LEU 14 1HD2 LEU 14 -1.599 -11.650 -11.537 89 HD23 LEU 14 2HD2 LEU 14 -2.961 -11.576 -12.656 90 H TRP 15 H TRP 15 -4.170 -12.431 -7.152 91 HA TRP 15 HA TRP 15 -1.910 -12.369 -5.303 92 HB2 TRP 15 1HB TRP 15 -4.449 -10.781 -5.004 93 HB3 TRP 15 2HB TRP 15 -2.839 -10.406 -4.396 94 HD1 TRP 15 HD TRP 15 -5.106 -9.791 -7.306 95 HE1 TRP 15 1HE TRP 15 -3.885 -8.389 -9.086 96 HE3 TRP 15 3HE TRP 15 -0.350 -10.092 -5.454 97 HZ2 TRP 15 2HZ TRP 15 -1.253 -7.525 -9.633 98 HZ3 TRP 15 3HZ TRP 15 1.462 -8.950 -6.665 99 HH2 TRP 15 HH TRP 15 1.017 -7.694 -8.712 100 H GLU 16 H GLU 16 -2.856 -12.016 -2.888 101 HA GLU 16 HA GLU 16 -4.470 -14.422 -2.357 102 HB2 GLU 16 1HB GLU 16 -2.143 -13.194 -0.943 103 HB3 GLU 16 2HB GLU 16 -3.329 -14.084 0.001 104 HG2 GLU 16 1HG GLU 16 -1.788 -15.168 -2.347 105 HG3 GLU 16 2HG GLU 16 -1.434 -15.479 -0.648 106 HA PRO 17 HA PRO 17 -7.580 -12.071 -0.346 107 HB2 PRO 17 1HB PRO 17 -8.246 -13.666 1.748 108 HB3 PRO 17 2HB PRO 17 -8.666 -14.052 0.075 109 HG2 PRO 17 1HG PRO 17 -6.409 -15.085 1.748 110 HG3 PRO 17 2HG PRO 17 -7.484 -15.970 0.649 111 HD2 PRO 17 1HD PRO 17 -4.977 -15.223 -0.052 112 HD3 PRO 17 2HD PRO 17 -6.306 -15.324 -1.224 113 H GLU 18 H GLU 18 -5.155 -13.394 1.895 114 HA GLU 18 HA GLU 18 -5.669 -11.591 4.003 115 HB2 GLU 18 1HB GLU 18 -3.464 -12.293 4.867 116 HB3 GLU 18 2HB GLU 18 -4.464 -13.658 4.392 117 HG2 GLU 18 1HG GLU 18 -3.196 -13.516 2.152 118 HG3 GLU 18 2HG GLU 18 -2.031 -12.552 3.058 119 H GLU 19 H GLU 19 -3.280 -11.543 1.377 120 HA GLU 19 HA GLU 19 -2.019 -9.141 2.163 121 HB2 GLU 19 1HB GLU 19 -2.077 -10.813 -0.296 122 HB3 GLU 19 2HB GLU 19 -1.505 -9.159 -0.458 123 HG2 GLU 19 1HG GLU 19 0.336 -10.700 -0.103 124 HG3 GLU 19 2HG GLU 19 0.192 -9.560 1.234 125 H THR 20 H THR 20 -2.599 -7.080 1.938 126 HA THR 20 HA THR 20 -5.179 -6.417 0.890 127 HB THR 20 HB THR 20 -2.961 -4.606 1.864 128 HG1 THR 20 1HG THR 20 -3.901 -6.078 3.431 129 HG21 THR 20 3HG2 THR 20 -5.838 -3.820 1.787 130 HG22 THR 20 1HG2 THR 20 -4.886 -3.718 0.307 131 HG23 THR 20 2HG2 THR 20 -4.394 -2.809 1.736 132 H VAL 21 H VAL 21 -5.471 -6.435 -1.254 133 HA VAL 21 HA VAL 21 -3.450 -5.109 -2.942 134 HB VAL 21 HB VAL 21 -5.432 -7.245 -3.741 135 HG11 VAL 21 1HG1 VAL 21 -4.589 -7.141 -5.912 136 HG12 VAL 21 2HG1 VAL 21 -4.739 -5.445 -5.445 137 HG13 VAL 21 3HG1 VAL 21 -3.161 -6.233 -5.416 138 HG21 VAL 21 3HG2 VAL 21 -3.060 -8.357 -4.226 139 HG22 VAL 21 1HG2 VAL 21 -2.595 -7.310 -2.885 140 HG23 VAL 21 2HG2 VAL 21 -3.872 -8.506 -2.668 141 H VAL 22 H VAL 22 -4.054 -3.442 -4.208 142 HA VAL 22 HA VAL 22 -6.914 -2.724 -4.222 143 HB VAL 22 HB VAL 22 -6.100 -0.353 -4.543 144 HG11 VAL 22 1HG1 VAL 22 -5.518 -0.071 -2.119 145 HG12 VAL 22 2HG1 VAL 22 -6.991 -0.992 -2.427 146 HG13 VAL 22 3HG1 VAL 22 -5.501 -1.829 -1.986 147 HG21 VAL 22 3HG2 VAL 22 -3.787 0.089 -3.687 148 HG22 VAL 22 1HG2 VAL 22 -3.483 -1.645 -3.797 149 HG23 VAL 22 2HG2 VAL 22 -3.851 -0.720 -5.253 150 H ILE 23 H ILE 23 -7.486 -1.243 -6.093 151 HA ILE 23 HA ILE 23 -5.998 -1.971 -8.524 152 HB ILE 23 HB ILE 23 -9.008 -1.874 -8.417 153 HG12 ILE 23 1HG1 ILE 23 -8.595 -4.468 -8.756 154 HG13 ILE 23 2HG1 ILE 23 -7.107 -4.117 -7.883 155 HG21 ILE 23 1HG2 ILE 23 -8.988 -2.603 -10.603 156 HG22 ILE 23 2HG2 ILE 23 -7.577 -1.547 -10.569 157 HG23 ILE 23 3HG2 ILE 23 -7.371 -3.295 -10.469 158 HD11 ILE 23 3HD1 ILE 23 -8.920 -4.894 -6.423 159 HD12 ILE 23 1HD1 ILE 23 -8.363 -3.273 -6.009 160 HD13 ILE 23 2HD1 ILE 23 -9.876 -3.488 -6.890 161 H ALA 24 H ALA 24 -5.971 -0.445 -10.160 162 HA ALA 24 HA ALA 24 -6.607 2.263 -9.317 163 HB1 ALA 24 3HB ALA 24 -5.202 3.006 -11.057 164 HB2 ALA 24 1HB ALA 24 -4.410 1.582 -10.382 165 HB3 ALA 24 2HB ALA 24 -5.299 1.461 -11.901 166 H LEU 25 H LEU 25 -8.305 3.402 -10.001 167 HA LEU 25 HA LEU 25 -10.250 2.181 -11.721 168 HB2 LEU 25 1HB LEU 25 -10.176 4.963 -10.564 169 HB3 LEU 25 2HB LEU 25 -11.571 4.187 -11.309 170 HG LEU 25 HG LEU 25 -10.310 2.916 -8.922 171 HD11 LEU 25 1HD1 LEU 25 -12.469 4.638 -8.152 172 HD12 LEU 25 2HD1 LEU 25 -11.173 5.582 -8.887 173 HD13 LEU 25 3HD1 LEU 25 -10.831 4.540 -7.507 174 HD21 LEU 25 3HD2 LEU 25 -12.149 1.865 -10.276 175 HD22 LEU 25 1HD2 LEU 25 -13.196 3.178 -9.738 176 HD23 LEU 25 2HD2 LEU 25 -12.499 2.067 -8.559 177 H TYR 26 H TYR 26 -7.994 4.889 -11.961 178 HA TYR 26 HA TYR 26 -8.447 4.901 -14.868 179 HB2 TYR 26 1HB TYR 26 -7.763 7.433 -13.415 180 HB3 TYR 26 2HB TYR 26 -8.529 7.226 -14.986 181 HD1 TYR 26 2HD TYR 26 -9.075 7.099 -11.343 182 HD2 TYR 26 1HD TYR 26 -10.900 6.988 -15.185 183 HE1 TYR 26 2HE TYR 26 -11.282 7.386 -10.296 184 HE2 TYR 26 1HE TYR 26 -13.112 7.275 -14.149 185 HH TYR 26 HH TYR 26 -13.465 7.578 -10.625 186 H ASP 27 H ASP 27 -6.625 5.837 -16.095 187 HA ASP 27 HA ASP 27 -4.140 4.759 -15.137 188 HB2 ASP 27 1HB ASP 27 -4.542 6.414 -17.630 189 HB3 ASP 27 2HB ASP 27 -3.275 5.232 -17.309 190 H TYR 28 H TYR 28 -2.878 5.821 -13.769 191 HA TYR 28 HA TYR 28 -2.900 8.750 -13.768 192 HB2 TYR 28 1HB TYR 28 -3.306 7.755 -11.607 193 HB3 TYR 28 2HB TYR 28 -1.868 6.750 -11.750 194 HD1 TYR 28 2HD TYR 28 -3.071 10.207 -11.273 195 HD2 TYR 28 1HD TYR 28 0.288 7.598 -11.193 196 HE1 TYR 28 2HE TYR 28 -1.748 11.955 -10.157 197 HE2 TYR 28 1HE TYR 28 1.621 9.337 -10.076 198 HH TYR 28 HH TYR 28 0.593 12.574 -9.845 199 H GLN 29 H GLN 29 -1.177 9.943 -14.341 200 HA GLN 29 HA GLN 29 1.353 8.541 -14.888 201 HB2 GLN 29 1HB GLN 29 -0.233 10.371 -16.630 202 HB3 GLN 29 2HB GLN 29 1.522 10.444 -16.726 203 HG2 GLN 29 1HG GLN 29 1.674 8.192 -17.418 204 HG3 GLN 29 2HG GLN 29 -0.013 7.880 -17.013 205 HE21 GLN 29 1HE2 GLN 29 -1.458 8.022 -18.582 206 HE22 GLN 29 2HE2 GLN 29 -1.203 8.755 -20.126 207 H THR 30 H THR 30 3.266 9.816 -14.711 208 HA THR 30 HA THR 30 3.052 12.471 -13.554 209 HB THR 30 HB THR 30 2.866 11.128 -11.552 210 HG1 THR 30 1HG THR 30 4.540 12.978 -11.838 211 HG21 THR 30 3HG2 THR 30 4.830 9.629 -10.940 212 HG22 THR 30 1HG2 THR 30 5.286 9.707 -12.641 213 HG23 THR 30 2HG2 THR 30 3.730 9.020 -12.176 214 H ASN 31 H ASN 31 5.020 13.635 -13.567 215 HA ASN 31 HA ASN 31 6.884 12.693 -15.580 216 HB2 ASN 31 1HB ASN 31 6.036 15.012 -15.657 217 HB3 ASN 31 2HB ASN 31 6.792 15.330 -14.098 218 HD21 ASN 31 1HD2 ASN 31 8.052 16.971 -14.979 219 HD22 ASN 31 2HD2 ASN 31 9.416 16.636 -15.986 220 H ASP 32 H ASP 32 6.759 13.194 -12.139 221 HA ASP 32 HA ASP 32 9.615 12.955 -11.778 222 HB2 ASP 32 1HB ASP 32 7.503 12.755 -9.632 223 HB3 ASP 32 2HB ASP 32 9.192 13.218 -9.449 224 HA PRO 33 HA PRO 33 9.821 8.564 -11.600 225 HB2 PRO 33 1HB PRO 33 12.062 8.295 -10.092 226 HB3 PRO 33 2HB PRO 33 12.098 8.814 -11.781 227 HG2 PRO 33 1HG PRO 33 12.247 10.466 -9.289 228 HG3 PRO 33 2HG PRO 33 13.191 10.608 -10.783 229 HD2 PRO 33 1HD PRO 33 11.083 12.216 -10.234 230 HD3 PRO 33 2HD PRO 33 11.509 11.733 -11.888 231 H GLN 34 H GLN 34 10.336 10.280 -8.523 232 HA GLN 34 HA GLN 34 9.994 8.289 -6.702 233 HB2 GLN 34 1HB GLN 34 9.244 11.173 -6.715 234 HB3 GLN 34 2HB GLN 34 8.648 10.172 -5.398 235 HG2 GLN 34 1HG GLN 34 11.067 9.444 -5.077 236 HG3 GLN 34 2HG GLN 34 11.486 10.793 -6.132 237 HE21 GLN 34 1HE2 GLN 34 12.620 11.081 -3.879 238 HE22 GLN 34 2HE2 GLN 34 11.800 12.160 -2.807 239 H GLU 35 H GLU 35 7.419 10.026 -8.411 240 HA GLU 35 HA GLU 35 5.367 8.406 -7.161 241 HB2 GLU 35 1HB GLU 35 5.383 10.717 -9.063 242 HB3 GLU 35 2HB GLU 35 3.938 9.725 -8.926 243 HG2 GLU 35 1HG GLU 35 3.577 11.479 -7.445 244 HG3 GLU 35 2HG GLU 35 4.094 10.144 -6.417 245 H LEU 36 H LEU 36 4.299 6.725 -8.061 246 HA LEU 36 HA LEU 36 5.366 5.680 -10.573 247 HB2 LEU 36 1HB LEU 36 5.358 4.174 -8.678 248 HB3 LEU 36 2HB LEU 36 3.627 4.420 -8.457 249 HG LEU 36 HG LEU 36 3.508 3.448 -10.901 250 HD11 LEU 36 1HD1 LEU 36 6.246 3.255 -10.418 251 HD12 LEU 36 2HD1 LEU 36 5.337 2.502 -11.728 252 HD13 LEU 36 3HD1 LEU 36 5.628 1.614 -10.233 253 HD21 LEU 36 3HD2 LEU 36 3.524 1.111 -9.788 254 HD22 LEU 36 1HD2 LEU 36 2.349 2.311 -9.248 255 HD23 LEU 36 2HD2 LEU 36 3.800 2.007 -8.293 256 H ALA 37 H ALA 37 4.086 5.140 -12.330 257 HA ALA 37 HA ALA 37 1.562 6.594 -12.488 258 HB1 ALA 37 3HB ALA 37 2.729 7.130 -14.371 259 HB2 ALA 37 1HB ALA 37 3.523 5.558 -14.462 260 HB3 ALA 37 2HB ALA 37 1.843 5.729 -14.972 261 H LEU 38 H LEU 38 -0.099 5.446 -11.683 262 HA LEU 38 HA LEU 38 -0.328 2.665 -11.615 263 HB2 LEU 38 1HB LEU 38 -2.412 4.834 -11.552 264 HB3 LEU 38 2HB LEU 38 -2.794 3.129 -11.321 265 HG LEU 38 HG LEU 38 -0.906 4.685 -9.558 266 HD11 LEU 38 1HD1 LEU 38 -3.236 4.025 -8.157 267 HD12 LEU 38 2HD1 LEU 38 -3.775 4.732 -9.680 268 HD13 LEU 38 3HD1 LEU 38 -2.682 5.632 -8.628 269 HD21 LEU 38 3HD2 LEU 38 -2.262 2.307 -8.536 270 HD22 LEU 38 1HD2 LEU 38 -0.568 2.786 -8.426 271 HD23 LEU 38 2HD2 LEU 38 -1.164 1.981 -9.878 272 H ARG 39 H ARG 39 -2.235 1.482 -12.696 273 HA ARG 39 HA ARG 39 -2.478 2.267 -15.517 274 HB2 ARG 39 1HB ARG 39 -0.726 0.402 -14.948 275 HB3 ARG 39 2HB ARG 39 -2.148 -0.619 -14.788 276 HG2 ARG 39 1HG ARG 39 -1.884 1.028 -17.243 277 HG3 ARG 39 2HG ARG 39 -0.848 -0.390 -17.068 278 HD2 ARG 39 1HD ARG 39 -2.601 -1.853 -17.172 279 HD3 ARG 39 2HD ARG 39 -3.743 -0.700 -16.481 280 HE ARG 39 HE ARG 39 -4.254 -0.001 -18.597 281 HH11 ARG 39 1HH1 ARG 39 -1.257 -1.770 -18.682 282 HH12 ARG 39 2HH1 ARG 39 -1.157 -1.775 -20.412 283 HH21 ARG 39 1HH2 ARG 39 -4.134 -0.000 -20.875 284 HH22 ARG 39 2HH2 ARG 39 -2.794 -0.767 -21.658 285 H ARG 40 H ARG 40 -4.454 1.964 -16.405 286 HA ARG 40 HA ARG 40 -6.688 1.597 -14.752 287 HB2 ARG 40 1HB ARG 40 -6.766 2.844 -16.867 288 HB3 ARG 40 2HB ARG 40 -6.499 1.353 -17.760 289 HG2 ARG 40 1HG ARG 40 -8.623 0.538 -17.277 290 HG3 ARG 40 2HG ARG 40 -8.844 1.649 -15.923 291 HD2 ARG 40 1HD ARG 40 -9.324 3.439 -17.299 292 HD3 ARG 40 2HD ARG 40 -8.475 2.739 -18.677 293 HE ARG 40 HE ARG 40 -11.219 2.301 -17.919 294 HH11 ARG 40 1HH1 ARG 40 -8.486 1.063 -19.685 295 HH12 ARG 40 2HH1 ARG 40 -9.449 0.102 -20.758 296 HH21 ARG 40 1HH2 ARG 40 -12.497 1.040 -19.325 297 HH22 ARG 40 2HH2 ARG 40 -11.731 0.091 -20.553 298 H ASN 41 H ASN 41 -7.767 -0.152 -14.090 299 HA ASN 41 HA ASN 41 -8.365 -2.323 -13.770 300 HB2 ASN 41 1HB ASN 41 -7.595 -2.536 -16.688 301 HB3 ASN 41 2HB ASN 41 -8.415 -3.804 -15.782 302 HD21 ASN 41 1HD2 ASN 41 -9.437 -2.601 -18.091 303 HD22 ASN 41 2HD2 ASN 41 -10.873 -1.740 -17.665 304 H GLU 42 H GLU 42 -6.009 -1.802 -12.684 305 HA GLU 42 HA GLU 42 -4.547 -4.297 -13.064 306 HB2 GLU 42 1HB GLU 42 -3.452 -1.572 -13.549 307 HB3 GLU 42 2HB GLU 42 -2.412 -2.733 -12.735 308 HG2 GLU 42 1HG GLU 42 -3.789 -3.374 -15.319 309 HG3 GLU 42 2HG GLU 42 -2.227 -2.560 -15.262 310 H GLU 43 H GLU 43 -4.005 -5.195 -11.176 311 HA GLU 43 HA GLU 43 -4.686 -3.849 -8.730 312 HB2 GLU 43 1HB GLU 43 -3.397 -6.549 -9.161 313 HB3 GLU 43 2HB GLU 43 -4.065 -5.960 -7.646 314 HG2 GLU 43 1HG GLU 43 -5.790 -7.248 -8.389 315 HG3 GLU 43 2HG GLU 43 -6.245 -5.686 -9.066 316 H TYR 44 H TYR 44 -3.191 -3.794 -6.865 317 HA TYR 44 HA TYR 44 -0.357 -3.707 -7.467 318 HB2 TYR 44 1HB TYR 44 -1.932 -1.237 -6.742 319 HB3 TYR 44 2HB TYR 44 -0.189 -1.352 -6.527 320 HD1 TYR 44 1HD TYR 44 -2.895 -1.414 -9.053 321 HD2 TYR 44 2HD TYR 44 1.287 -1.061 -8.355 322 HE1 TYR 44 1HE TYR 44 -2.569 -0.726 -11.391 323 HE2 TYR 44 2HE TYR 44 1.624 -0.370 -10.691 324 HH TYR 44 HH TYR 44 0.066 -0.865 -12.998 325 H CYS 45 H CYS 45 0.756 -4.426 -5.774 326 HA CYS 45 HA CYS 45 -0.573 -5.068 -3.329 327 HB2 CYS 45 1HB CYS 45 2.183 -5.425 -4.420 328 HB3 CYS 45 2HB CYS 45 1.944 -5.585 -2.684 329 HG CYS 45 HG CYS 45 1.135 -7.685 -5.147 330 H LEU 46 H LEU 46 -0.868 -3.786 -1.640 331 HA LEU 46 HA LEU 46 0.233 -1.172 -1.506 332 HB2 LEU 46 1HB LEU 46 -1.974 -1.776 -0.600 333 HB3 LEU 46 2HB LEU 46 -1.184 -2.762 0.629 334 HG LEU 46 HG LEU 46 -0.088 -0.648 1.457 335 HD11 LEU 46 1HD1 LEU 46 -0.262 0.827 -0.362 336 HD12 LEU 46 2HD1 LEU 46 -1.395 1.441 0.841 337 HD13 LEU 46 3HD1 LEU 46 -1.990 0.530 -0.546 338 HD21 LEU 46 3HD2 LEU 46 -2.176 0.159 2.573 339 HD22 LEU 46 1HD2 LEU 46 -1.910 -1.581 2.683 340 HD23 LEU 46 2HD2 LEU 46 -3.085 -0.940 1.535 341 H LEU 47 H LEU 47 2.145 -0.559 -0.760 342 HA LEU 47 HA LEU 47 3.775 -2.453 0.737 343 HB2 LEU 47 1HB LEU 47 4.435 0.245 -0.434 344 HB3 LEU 47 2HB LEU 47 5.588 -0.821 0.365 345 HG LEU 47 HG LEU 47 4.109 -1.466 -2.185 346 HD11 LEU 47 1HD1 LEU 47 6.547 0.031 -1.660 347 HD12 LEU 47 2HD1 LEU 47 5.597 -0.108 -3.139 348 HD13 LEU 47 3HD1 LEU 47 6.797 -1.338 -2.744 349 HD21 LEU 47 3HD2 LEU 47 4.742 -3.404 -0.754 350 HD22 LEU 47 1HD2 LEU 47 6.424 -2.891 -0.885 351 HD23 LEU 47 2HD2 LEU 47 5.538 -3.382 -2.328 352 H ASP 48 H ASP 48 2.759 0.950 1.032 353 HA ASP 48 HA ASP 48 2.273 0.714 3.823 354 HB2 ASP 48 1HB ASP 48 4.849 0.826 3.592 355 HB3 ASP 48 2HB ASP 48 4.591 2.521 3.187 356 H SER 49 H SER 49 0.624 2.036 4.155 357 HA SER 49 HA SER 49 0.122 4.228 2.326 358 HB2 SER 49 1HB SER 49 -1.448 2.769 4.395 359 HB3 SER 49 2HB SER 49 -1.928 4.426 4.028 360 HG SER 49 HG SER 49 -2.255 2.158 2.560 361 H SER 50 H SER 50 2.409 4.534 3.997 362 HA SER 50 HA SER 50 2.323 5.867 6.313 363 HB2 SER 50 1HB SER 50 3.887 6.777 3.885 364 HB3 SER 50 2HB SER 50 4.231 7.244 5.551 365 HG SER 50 HG SER 50 4.216 4.572 4.591 366 H GLU 51 H GLU 51 1.520 7.315 3.176 367 HA GLU 51 HA GLU 51 0.551 9.715 4.552 368 HB2 GLU 51 1HB GLU 51 1.480 9.119 1.790 369 HB3 GLU 51 2HB GLU 51 0.254 10.364 1.978 370 HG2 GLU 51 1HG GLU 51 1.777 11.441 3.672 371 HG3 GLU 51 2HG GLU 51 3.019 10.306 3.145 372 H ILE 52 H ILE 52 -1.489 10.683 3.677 373 HA ILE 52 HA ILE 52 -3.555 8.660 3.689 374 HB ILE 52 HB ILE 52 -3.799 11.667 3.537 375 HG12 ILE 52 1HG1 ILE 52 -4.670 11.038 5.999 376 HG13 ILE 52 2HG1 ILE 52 -3.504 9.738 5.778 377 HG21 ILE 52 1HG2 ILE 52 -5.820 10.852 2.722 378 HG22 ILE 52 2HG2 ILE 52 -5.810 9.466 3.810 379 HG23 ILE 52 3HG2 ILE 52 -6.137 11.079 4.441 380 HD11 ILE 52 3HD1 ILE 52 -2.602 11.741 6.924 381 HD12 ILE 52 1HD1 ILE 52 -1.729 11.301 5.456 382 HD13 ILE 52 2HD1 ILE 52 -2.861 12.655 5.439 383 H HIS 53 H HIS 53 -3.214 11.570 1.662 384 HA HIS 53 HA HIS 53 -4.790 10.571 -0.438 385 HB2 HIS 53 1HB HIS 53 -2.650 12.605 -0.941 386 HB3 HIS 53 2HB HIS 53 -4.293 12.538 -1.570 387 HD1 HIS 53 1HD HIS 53 -6.174 12.892 0.478 388 HD2 HIS 53 2HD HIS 53 -2.365 14.472 0.983 389 HE1 HIS 53 1HE HIS 53 -6.408 14.655 2.256 390 HE2 HIS 53 2HE HIS 53 -4.108 15.656 2.483 391 H TRP 54 H TRP 54 -1.283 10.627 0.040 392 HA TRP 54 HA TRP 54 -0.908 9.115 -2.436 393 HB2 TRP 54 1HB TRP 54 1.168 10.258 -0.555 394 HB3 TRP 54 2HB TRP 54 1.472 9.556 -2.141 395 HD1 TRP 54 HD TRP 54 0.795 12.800 -0.487 396 HE1 TRP 54 1HE TRP 54 0.394 14.638 -2.244 397 HE3 TRP 54 3HE TRP 54 0.250 9.856 -4.631 398 HZ2 TRP 54 2HZ TRP 54 -0.089 14.816 -5.019 399 HZ3 TRP 54 3HZ TRP 54 -0.180 10.938 -6.798 400 HH2 TRP 54 HH TRP 54 -0.346 13.367 -6.986 401 H TRP 55 H TRP 55 -0.870 6.977 -2.366 402 HA TRP 55 HA TRP 55 -0.045 5.666 0.141 403 HB2 TRP 55 1HB TRP 55 -2.168 5.038 -1.855 404 HB3 TRP 55 2HB TRP 55 -1.364 3.689 -1.057 405 HD1 TRP 55 HD TRP 55 -1.555 6.545 1.275 406 HE1 TRP 55 1HE TRP 55 -3.482 6.218 2.950 407 HE3 TRP 55 3HE TRP 55 -3.988 2.684 -1.030 408 HZ2 TRP 55 2HZ TRP 55 -5.735 4.544 3.254 409 HZ3 TRP 55 3HZ TRP 55 -6.021 1.777 0.019 410 HH2 TRP 55 HH TRP 55 -6.874 2.689 2.117 411 H ARG 56 H ARG 56 1.506 4.107 0.094 412 HA ARG 56 HA ARG 56 3.098 3.936 -2.323 413 HB2 ARG 56 1HB ARG 56 4.042 4.240 0.022 414 HB3 ARG 56 2HB ARG 56 3.633 2.553 0.302 415 HG2 ARG 56 1HG ARG 56 5.133 1.838 -1.422 416 HG3 ARG 56 2HG ARG 56 5.438 3.507 -1.908 417 HD2 ARG 56 1HD ARG 56 7.279 3.132 -0.605 418 HD3 ARG 56 2HD ARG 56 6.163 3.749 0.613 419 HE ARG 56 HE ARG 56 5.729 1.111 0.755 420 HH11 ARG 56 1HH1 ARG 56 8.669 2.975 0.713 421 HH12 ARG 56 2HH1 ARG 56 9.557 1.839 1.673 422 HH21 ARG 56 1HH2 ARG 56 6.887 -0.393 2.020 423 HH22 ARG 56 2HH2 ARG 56 8.543 -0.077 2.415 424 H VAL 57 H VAL 57 2.920 2.364 -3.768 425 HA VAL 57 HA VAL 57 2.109 -0.312 -2.912 426 HB VAL 57 HB VAL 57 0.463 -0.559 -4.659 427 HG11 VAL 57 1HG1 VAL 57 -1.259 0.535 -3.614 428 HG12 VAL 57 2HG1 VAL 57 -0.006 0.669 -2.379 429 HG13 VAL 57 3HG1 VAL 57 -0.348 2.035 -3.442 430 HG21 VAL 57 3HG2 VAL 57 1.518 0.944 -6.302 431 HG22 VAL 57 1HG2 VAL 57 -0.205 1.267 -6.107 432 HG23 VAL 57 2HG2 VAL 57 0.983 2.331 -5.354 433 H GLN 58 H GLN 58 2.419 -1.933 -4.671 434 HA GLN 58 HA GLN 58 4.570 -1.131 -6.514 435 HB2 GLN 58 1HB GLN 58 5.564 -2.363 -4.677 436 HB3 GLN 58 2HB GLN 58 4.394 -3.661 -4.872 437 HG2 GLN 58 1HG GLN 58 5.324 -4.239 -7.016 438 HG3 GLN 58 2HG GLN 58 6.427 -2.866 -6.942 439 HE21 GLN 58 1HE2 GLN 58 8.192 -2.941 -5.550 440 HE22 GLN 58 2HE2 GLN 58 8.757 -4.422 -4.864 441 H ASP 59 H ASP 59 4.527 -1.994 -8.551 442 HA ASP 59 HA ASP 59 2.011 -3.021 -9.459 443 HB2 ASP 59 1HB ASP 59 3.574 -1.451 -10.734 444 HB3 ASP 59 2HB ASP 59 4.551 -2.876 -11.078 445 H ARG 60 H ARG 60 2.054 -4.930 -11.057 446 HA ARG 60 HA ARG 60 2.758 -7.254 -9.602 447 HB2 ARG 60 1HB ARG 60 0.858 -7.379 -11.026 448 HB3 ARG 60 2HB ARG 60 1.776 -6.822 -12.418 449 HG2 ARG 60 1HG ARG 60 2.870 -8.874 -12.664 450 HG3 ARG 60 2HG ARG 60 2.427 -9.402 -11.040 451 HD2 ARG 60 1HD ARG 60 0.095 -9.556 -11.703 452 HD3 ARG 60 2HD ARG 60 0.495 -8.954 -13.312 453 HE ARG 60 HE ARG 60 1.128 -11.068 -13.879 454 HH11 ARG 60 1HH1 ARG 60 1.175 -10.790 -10.409 455 HH12 ARG 60 2HH1 ARG 60 1.530 -12.466 -10.149 456 HH21 ARG 60 1HH2 ARG 60 1.596 -13.277 -13.550 457 HH22 ARG 60 2HH2 ARG 60 1.770 -13.879 -11.936 458 H ASN 61 H ASN 61 4.237 -5.549 -12.300 459 HA ASN 61 HA ASN 61 6.173 -7.557 -12.882 460 HB2 ASN 61 1HB ASN 61 6.050 -4.614 -13.562 461 HB3 ASN 61 2HB ASN 61 7.302 -5.701 -14.156 462 HD21 ASN 61 1HD2 ASN 61 6.941 -6.718 -15.996 463 HD22 ASN 61 2HD2 ASN 61 5.407 -6.884 -16.774 464 H GLY 62 H GLY 62 6.380 -4.424 -11.190 465 HA2 GLY 62 1HA GLY 62 7.758 -4.960 -8.997 466 HA3 GLY 62 2HA GLY 62 9.031 -5.139 -10.195 467 H HIS 63 H HIS 63 6.399 -2.801 -10.322 468 HA HIS 63 HA HIS 63 8.394 -0.658 -9.981 469 HB2 HIS 63 1HB HIS 63 5.865 -0.307 -11.564 470 HB3 HIS 63 2HB HIS 63 7.358 0.624 -11.646 471 HD1 HIS 63 1HD HIS 63 5.944 -0.711 -14.126 472 HD2 HIS 63 2HD HIS 63 9.178 -2.278 -12.041 473 HE1 HIS 63 1HE HIS 63 7.094 -2.263 -15.736 474 HE2 HIS 63 2HE HIS 63 8.997 -3.264 -14.425 475 H GLU 64 H GLU 64 8.125 0.265 -8.060 476 HA GLU 64 HA GLU 64 5.382 0.643 -7.055 477 HB2 GLU 64 1HB GLU 64 6.477 0.843 -4.802 478 HB3 GLU 64 2HB GLU 64 6.596 -0.746 -5.544 479 HG2 GLU 64 1HG GLU 64 8.702 -0.287 -4.598 480 HG3 GLU 64 2HG GLU 64 8.885 -0.090 -6.340 481 H GLY 65 H GLY 65 5.342 2.569 -5.409 482 HA2 GLY 65 1HA GLY 65 6.945 4.757 -5.435 483 HA3 GLY 65 2HA GLY 65 6.052 4.910 -6.941 484 H TYR 66 H TYR 66 5.396 6.947 -5.799 485 HA TYR 66 HA TYR 66 3.302 6.520 -3.798 486 HB2 TYR 66 1HB TYR 66 4.735 9.006 -4.737 487 HB3 TYR 66 2HB TYR 66 3.366 9.044 -3.631 488 HD1 TYR 66 1HD TYR 66 3.643 7.396 -1.543 489 HD2 TYR 66 2HD TYR 66 6.847 9.028 -3.817 490 HE1 TYR 66 1HE TYR 66 5.164 7.041 0.357 491 HE2 TYR 66 2HE TYR 66 8.377 8.677 -1.923 492 HH TYR 66 HH TYR 66 7.966 6.716 0.436 493 H VAL 67 H VAL 67 1.322 6.209 -4.557 494 HA VAL 67 HA VAL 67 0.458 7.768 -6.907 495 HB VAL 67 HB VAL 67 -1.164 5.888 -7.340 496 HG11 VAL 67 1HG1 VAL 67 0.570 5.946 -8.859 497 HG12 VAL 67 2HG1 VAL 67 1.798 5.636 -7.631 498 HG13 VAL 67 3HG1 VAL 67 0.749 4.328 -8.181 499 HG21 VAL 67 3HG2 VAL 67 -1.251 4.700 -5.323 500 HG22 VAL 67 1HG2 VAL 67 -0.341 3.649 -6.408 501 HG23 VAL 67 2HG2 VAL 67 0.506 4.611 -5.196 502 HA PRO 68 HA PRO 68 -2.823 9.409 -4.493 503 HB2 PRO 68 1HB PRO 68 -4.754 9.704 -6.378 504 HB3 PRO 68 2HB PRO 68 -3.323 10.738 -6.300 505 HG2 PRO 68 1HG PRO 68 -3.859 8.374 -8.056 506 HG3 PRO 68 2HG PRO 68 -3.124 9.933 -8.472 507 HD2 PRO 68 1HD PRO 68 -1.655 7.701 -8.031 508 HD3 PRO 68 2HD PRO 68 -1.064 9.327 -7.635 509 H SER 69 H SER 69 -3.566 7.932 -3.039 510 HA SER 69 HA SER 69 -4.608 5.471 -3.317 511 HB2 SER 69 1HB SER 69 -5.861 5.805 -1.267 512 HB3 SER 69 2HB SER 69 -4.332 6.677 -1.151 513 HG SER 69 HG SER 69 -6.855 7.797 -1.816 514 H SER 70 H SER 70 -6.457 8.476 -3.704 515 HA SER 70 HA SER 70 -8.994 7.702 -4.024 516 HB2 SER 70 1HB SER 70 -9.238 9.408 -5.828 517 HB3 SER 70 2HB SER 70 -8.326 9.997 -4.438 518 HG SER 70 HG SER 70 -6.563 10.099 -5.620 519 H TYR 71 H TYR 71 -6.555 7.392 -6.598 520 HA TYR 71 HA TYR 71 -8.234 6.129 -8.466 521 HB2 TYR 71 1HB TYR 71 -5.256 6.274 -8.113 522 HB3 TYR 71 2HB TYR 71 -5.955 5.253 -9.365 523 HD1 TYR 71 1HD TYR 71 -6.959 8.637 -8.153 524 HD2 TYR 71 2HD TYR 71 -5.507 6.290 -11.392 525 HE1 TYR 71 1HE TYR 71 -7.134 10.590 -9.638 526 HE2 TYR 71 2HE TYR 71 -5.677 8.237 -12.885 527 HH TYR 71 HH TYR 71 -7.241 10.492 -12.798 528 H LEU 72 H LEU 72 -6.125 4.837 -5.944 529 HA LEU 72 HA LEU 72 -6.512 2.104 -6.654 530 HB2 LEU 72 1HB LEU 72 -5.609 3.325 -4.049 531 HB3 LEU 72 2HB LEU 72 -5.490 1.620 -4.476 532 HG LEU 72 HG LEU 72 -4.048 3.861 -5.892 533 HD11 LEU 72 1HD1 LEU 72 -2.200 2.197 -4.677 534 HD12 LEU 72 2HD1 LEU 72 -3.451 2.416 -3.455 535 HD13 LEU 72 3HD1 LEU 72 -2.654 3.821 -4.161 536 HD21 LEU 72 3HD2 LEU 72 -4.321 0.950 -6.349 537 HD22 LEU 72 1HD2 LEU 72 -2.711 1.643 -6.542 538 HD23 LEU 72 2HD2 LEU 72 -4.058 2.262 -7.498 539 H VAL 73 H VAL 73 -7.861 0.569 -5.768 540 HA VAL 73 HA VAL 73 -9.922 1.519 -3.896 541 HB VAL 73 HB VAL 73 -11.673 0.425 -5.103 542 HG11 VAL 73 1HG1 VAL 73 -11.856 2.296 -6.284 543 HG12 VAL 73 2HG1 VAL 73 -10.108 2.535 -6.241 544 HG13 VAL 73 3HG1 VAL 73 -10.837 1.576 -7.530 545 HG21 VAL 73 3HG2 VAL 73 -9.648 -0.431 -7.165 546 HG22 VAL 73 1HG2 VAL 73 -10.257 -1.481 -5.885 547 HG23 VAL 73 2HG2 VAL 73 -11.361 -0.846 -7.104 548 H GLU 74 H GLU 74 -10.600 0.062 -2.377 549 HA GLU 74 HA GLU 74 -8.883 -2.150 -1.838 550 HB2 GLU 74 1HB GLU 74 -10.245 -0.609 -0.208 551 HB3 GLU 74 2HB GLU 74 -11.520 -1.791 -0.469 552 HG2 GLU 74 1HG GLU 74 -9.665 -3.514 0.138 553 HG3 GLU 74 2HG GLU 74 -8.881 -2.118 0.875 554 H LYS 75 H LYS 75 -8.983 -3.863 -3.162 555 HA LYS 75 HA LYS 75 -10.932 -4.801 -4.762 556 HB2 LYS 75 1HB LYS 75 -8.579 -5.768 -4.247 557 HB3 LYS 75 2HB LYS 75 -9.418 -6.769 -3.070 558 HG2 LYS 75 1HG LYS 75 -10.531 -7.972 -4.679 559 HG3 LYS 75 2HG LYS 75 -10.410 -6.683 -5.879 560 HD2 LYS 75 1HD LYS 75 -8.922 -8.370 -6.596 561 HD3 LYS 75 2HD LYS 75 -7.910 -7.111 -5.882 562 HE2 LYS 75 1HE LYS 75 -8.179 -8.531 -3.709 563 HE3 LYS 75 2HE LYS 75 -8.595 -9.825 -4.832 564 HZ1 LYS 75 3HZ LYS 75 -6.487 -10.015 -5.513 565 HZ2 LYS 75 1HZ LYS 75 -6.094 -9.197 -4.085 566 HZ3 LYS 75 2HZ LYS 75 -6.220 -8.344 -5.540 567 H SER 76 H SER 76 -13.007 -5.232 -4.464 568 HA SER 76 HA SER 76 -13.843 -6.428 -1.902 569 HB2 SER 76 1HB SER 76 -14.671 -4.116 -2.193 570 HB3 SER 76 2HB SER 76 -15.456 -4.597 -3.697 571 HG SER 76 HG SER 76 -16.740 -4.588 -1.647 572 HA PRO 77 HA PRO 77 -15.319 -9.875 -4.208 573 HB2 PRO 77 1HB PRO 77 -17.139 -10.826 -2.433 574 HB3 PRO 77 2HB PRO 77 -15.395 -10.990 -2.201 575 HG2 PRO 77 1HG PRO 77 -17.284 -8.995 -1.014 576 HG3 PRO 77 2HG PRO 77 -15.963 -9.885 -0.235 577 HD2 PRO 77 1HD PRO 77 -15.711 -7.311 -1.035 578 HD3 PRO 77 2HD PRO 77 -14.351 -8.451 -1.045 579 H ASN 78 H ASN 78 -17.191 -7.159 -3.470 580 HA ASN 78 HA ASN 78 -19.779 -7.860 -4.141 581 HB2 ASN 78 1HB ASN 78 -18.858 -5.595 -3.343 582 HB3 ASN 78 2HB ASN 78 -18.536 -5.268 -5.043 583 HD21 ASN 78 1HD2 ASN 78 -19.992 -3.712 -5.438 584 HD22 ASN 78 2HD2 ASN 78 -21.701 -3.905 -5.282 585 H ASN 79 H ASN 79 -20.979 -7.405 -6.146 586 HA ASN 79 HA ASN 79 -21.396 -7.800 -8.347 587 HB2 ASN 79 1HB ASN 79 -18.562 -6.791 -8.679 588 HB3 ASN 79 2HB ASN 79 -19.731 -6.982 -9.982 589 HD21 ASN 79 1HD2 ASN 79 -18.415 -4.580 -9.234 590 HD22 ASN 79 2HD2 ASN 79 -19.629 -3.458 -8.730 591 H LEU 80 H LEU 80 -20.688 -10.023 -6.875 592 HA LEU 80 HA LEU 80 -18.827 -11.546 -8.540 593 HB2 LEU 80 1HB LEU 80 -18.930 -13.238 -6.809 594 HB3 LEU 80 2HB LEU 80 -18.539 -11.664 -6.121 595 HG LEU 80 HG LEU 80 -21.138 -11.600 -5.666 596 HD11 LEU 80 1HD1 LEU 80 -20.902 -14.131 -6.767 597 HD12 LEU 80 2HD1 LEU 80 -22.269 -13.505 -5.846 598 HD13 LEU 80 3HD1 LEU 80 -21.001 -14.419 -5.029 599 HD21 LEU 80 3HD2 LEU 80 -20.127 -11.455 -3.683 600 HD22 LEU 80 1HD2 LEU 80 -18.821 -12.534 -4.176 601 HD23 LEU 80 2HD2 LEU 80 -20.338 -13.204 -3.574 602 H GLU 81 H GLU 81 -19.413 -13.630 -9.370 603 HA GLU 81 HA GLU 81 -20.754 -15.103 -10.471 604 HB2 GLU 81 1HB GLU 81 -21.855 -15.205 -8.184 605 HB3 GLU 81 2HB GLU 81 -23.043 -14.066 -8.803 606 HG2 GLU 81 1HG GLU 81 -23.750 -15.636 -10.481 607 HG3 GLU 81 2HG GLU 81 -22.474 -16.759 -10.016 608 H THR 82 H THR 82 -20.290 -12.591 -11.616 609 HA THR 82 HA THR 82 -22.853 -11.879 -12.861 610 HB THR 82 HB THR 82 -20.322 -10.348 -13.342 611 HG1 THR 82 1HG THR 82 -21.317 -9.070 -11.423 612 HG21 THR 82 3HG2 THR 82 -21.730 -8.591 -13.887 613 HG22 THR 82 1HG2 THR 82 -23.062 -9.220 -12.919 614 HG23 THR 82 2HG2 THR 82 -22.651 -9.983 -14.456 615 H TYR 83 H TYR 83 -21.203 -14.280 -13.492 616 HA TYR 83 HA TYR 83 -20.548 -13.687 -16.300 617 HB2 TYR 83 1HB TYR 83 -19.618 -15.943 -14.515 618 HB3 TYR 83 2HB TYR 83 -19.233 -15.807 -16.227 619 HD1 TYR 83 1HD TYR 83 -17.697 -14.075 -17.022 620 HD2 TYR 83 2HD TYR 83 -18.538 -14.538 -12.877 621 HE1 TYR 83 1HE TYR 83 -15.736 -12.694 -16.476 622 HE2 TYR 83 2HE TYR 83 -16.580 -13.158 -12.320 623 HH TYR 83 HH TYR 83 -14.369 -12.009 -14.823 624 H GLU 84 H GLU 84 -22.641 -13.862 -17.118 625 HA GLU 84 HA GLU 84 -24.193 -16.254 -16.649 626 HB2 GLU 84 1HB GLU 84 -25.831 -15.232 -18.160 627 HB3 GLU 84 2HB GLU 84 -25.328 -14.106 -16.907 628 HG2 GLU 84 1HG GLU 84 -23.940 -14.066 -19.540 629 HG3 GLU 84 2HG GLU 84 -25.537 -13.336 -19.390 630 H TRP 85 H TRP 85 -21.733 -16.920 -17.708 631 HA TRP 85 HA TRP 85 -22.402 -17.719 -20.465 632 HB2 TRP 85 1HB TRP 85 -20.433 -16.227 -20.305 633 HB3 TRP 85 2HB TRP 85 -19.654 -17.394 -19.241 634 HD1 TRP 85 HD TRP 85 -20.149 -16.575 -22.856 635 HE1 TRP 85 1HE TRP 85 -19.021 -18.366 -24.321 636 HE3 TRP 85 3HE TRP 85 -19.174 -20.073 -19.257 637 HZ2 TRP 85 2HZ TRP 85 -17.871 -20.923 -23.995 638 HZ3 TRP 85 3HZ TRP 85 -18.057 -22.164 -19.917 639 HH2 TRP 85 HH TRP 85 -17.420 -22.578 -22.237 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -16.766 -37.667 -7.302 2 HA2 GLY 1 1HA GLY 1 -17.892 -36.219 -9.369 3 HA3 GLY 1 2HA GLY 1 -16.766 -37.549 -9.596 4 H SER 2 H SER 2 -20.176 -37.226 -8.594 5 HA SER 2 HA SER 2 -20.816 -39.498 -10.338 6 HB2 SER 2 1HB SER 2 -21.565 -39.843 -8.088 7 HB3 SER 2 2HB SER 2 -22.305 -38.243 -8.025 8 HG SER 2 HG SER 2 -23.852 -38.927 -9.482 9 H SER 3 H SER 3 -22.244 -39.347 -12.001 10 HA SER 3 HA SER 3 -22.552 -37.060 -13.446 11 HB2 SER 3 1HB SER 3 -24.234 -38.172 -14.719 12 HB3 SER 3 2HB SER 3 -23.144 -39.432 -14.143 13 HG SER 3 HG SER 3 -25.790 -38.972 -13.538 14 H GLY 4 H GLY 4 -23.739 -35.254 -13.352 15 HA2 GLY 4 1HA GLY 4 -26.291 -34.811 -12.608 16 HA3 GLY 4 2HA GLY 4 -25.462 -34.853 -11.059 17 H SER 5 H SER 5 -25.204 -32.854 -10.333 18 HA SER 5 HA SER 5 -25.435 -30.487 -11.613 19 HB2 SER 5 1HB SER 5 -23.689 -31.272 -9.293 20 HB3 SER 5 2HB SER 5 -23.713 -29.610 -9.882 21 HG SER 5 HG SER 5 -25.509 -29.360 -8.844 22 H SER 6 H SER 6 -24.133 -29.038 -12.712 23 HA SER 6 HA SER 6 -21.579 -30.124 -13.704 24 HB2 SER 6 1HB SER 6 -23.820 -28.749 -15.136 25 HB3 SER 6 2HB SER 6 -22.171 -28.540 -15.728 26 HG SER 6 HG SER 6 -22.069 -30.628 -16.243 27 H GLY 7 H GLY 7 -20.004 -29.045 -12.697 28 HA2 GLY 7 1HA GLY 7 -18.766 -26.892 -12.940 29 HA3 GLY 7 2HA GLY 7 -20.273 -26.108 -12.486 30 H GLU 8 H GLU 8 -18.048 -28.610 -11.259 31 HA GLU 8 HA GLU 8 -18.386 -27.430 -8.580 32 HB2 GLU 8 1HB GLU 8 -18.075 -30.329 -9.360 33 HB3 GLU 8 2HB GLU 8 -17.887 -29.750 -7.711 34 HG2 GLU 8 1HG GLU 8 -20.067 -30.456 -7.714 35 HG3 GLU 8 2HG GLU 8 -20.249 -28.740 -8.070 36 H ASP 9 H ASP 9 -16.558 -26.083 -9.049 37 HA ASP 9 HA ASP 9 -14.084 -27.279 -8.235 38 HB2 ASP 9 1HB ASP 9 -14.016 -25.931 -10.926 39 HB3 ASP 9 2HB ASP 9 -12.775 -26.922 -10.163 40 H ASN 10 H ASN 10 -12.417 -25.691 -7.817 41 HA ASN 10 HA ASN 10 -13.524 -22.980 -7.490 42 HB2 ASN 10 1HB ASN 10 -11.767 -24.648 -5.722 43 HB3 ASN 10 2HB ASN 10 -11.683 -22.892 -5.631 44 HD21 ASN 10 1HD2 ASN 10 -13.594 -21.733 -5.065 45 HD22 ASN 10 2HD2 ASN 10 -14.823 -22.492 -4.116 46 H ARG 11 H ARG 11 -11.681 -21.312 -7.216 47 HA ARG 11 HA ARG 11 -9.644 -21.837 -9.281 48 HB2 ARG 11 1HB ARG 11 -11.442 -19.514 -8.824 49 HB3 ARG 11 2HB ARG 11 -9.804 -19.166 -9.361 50 HG2 ARG 11 1HG ARG 11 -11.200 -19.288 -11.283 51 HG3 ARG 11 2HG ARG 11 -10.175 -20.724 -11.270 52 HD2 ARG 11 1HD ARG 11 -12.174 -21.717 -11.711 53 HD3 ARG 11 2HD ARG 11 -12.243 -21.726 -9.949 54 HE ARG 11 HE ARG 11 -13.811 -20.073 -11.754 55 HH11 ARG 11 1HH1 ARG 11 -12.819 -20.756 -8.487 56 HH12 ARG 11 2HH1 ARG 11 -14.152 -19.915 -7.768 57 HH21 ARG 11 1HH2 ARG 11 -15.571 -18.964 -10.819 58 HH22 ARG 11 2HH2 ARG 11 -15.718 -18.897 -9.095 59 H ARG 12 H ARG 12 -7.567 -21.032 -8.955 60 HA ARG 12 HA ARG 12 -6.785 -20.787 -6.204 61 HB2 ARG 12 1HB ARG 12 -5.378 -20.967 -8.825 62 HB3 ARG 12 2HB ARG 12 -4.496 -20.291 -7.462 63 HG2 ARG 12 1HG ARG 12 -4.434 -22.276 -6.336 64 HG3 ARG 12 2HG ARG 12 -5.924 -22.867 -7.075 65 HD2 ARG 12 1HD ARG 12 -4.621 -22.984 -9.251 66 HD3 ARG 12 2HD ARG 12 -3.171 -22.735 -8.279 67 HE ARG 12 HE ARG 12 -4.623 -25.155 -8.569 68 HH11 ARG 12 1HH1 ARG 12 -2.814 -23.278 -6.262 69 HH12 ARG 12 2HH1 ARG 12 -2.332 -24.654 -5.325 70 HH21 ARG 12 1HH2 ARG 12 -3.996 -26.973 -7.344 71 HH22 ARG 12 2HH2 ARG 12 -3.005 -26.755 -5.941 72 HA PRO 13 HA PRO 13 -6.864 -16.401 -5.844 73 HB2 PRO 13 1HB PRO 13 -5.041 -16.096 -3.856 74 HB3 PRO 13 2HB PRO 13 -6.666 -16.734 -3.579 75 HG2 PRO 13 1HG PRO 13 -4.079 -18.209 -3.890 76 HG3 PRO 13 2HG PRO 13 -5.393 -18.485 -2.731 77 HD2 PRO 13 1HD PRO 13 -5.080 -19.985 -4.964 78 HD3 PRO 13 2HD PRO 13 -6.674 -19.633 -4.265 79 H LEU 14 H LEU 14 -5.756 -14.599 -6.526 80 HA LEU 14 HA LEU 14 -3.400 -15.075 -8.124 81 HB2 LEU 14 1HB LEU 14 -5.035 -12.602 -7.595 82 HB3 LEU 14 2HB LEU 14 -3.633 -12.640 -8.662 83 HG LEU 14 HG LEU 14 -4.969 -14.514 -9.892 84 HD11 LEU 14 1HD1 LEU 14 -6.821 -13.740 -7.880 85 HD12 LEU 14 2HD1 LEU 14 -7.014 -14.939 -9.158 86 HD13 LEU 14 3HD1 LEU 14 -7.467 -13.260 -9.450 87 HD21 LEU 14 3HD2 LEU 14 -6.171 -11.821 -10.270 88 HD22 LEU 14 1HD2 LEU 14 -5.542 -12.958 -11.462 89 HD23 LEU 14 2HD2 LEU 14 -4.429 -11.999 -10.486 90 H TRP 15 H TRP 15 -4.142 -12.593 -5.669 91 HA TRP 15 HA TRP 15 -1.290 -12.505 -4.996 92 HB2 TRP 15 1HB TRP 15 -3.496 -10.598 -4.188 93 HB3 TRP 15 2HB TRP 15 -1.769 -10.370 -3.928 94 HD1 TRP 15 HD TRP 15 -4.135 -10.865 -6.976 95 HE1 TRP 15 1HE TRP 15 -3.272 -9.375 -8.889 96 HE3 TRP 15 3HE TRP 15 0.016 -8.940 -4.696 97 HZ2 TRP 15 2HZ TRP 15 -1.117 -7.616 -9.368 98 HZ3 TRP 15 3HZ TRP 15 1.426 -7.361 -5.951 99 HH2 TRP 15 HH TRP 15 0.869 -6.715 -8.239 100 H GLU 16 H GLU 16 -1.156 -11.681 -2.492 101 HA GLU 16 HA GLU 16 -1.878 -14.009 -0.987 102 HB2 GLU 16 1HB GLU 16 -0.441 -11.451 -0.340 103 HB3 GLU 16 2HB GLU 16 -0.891 -12.577 0.932 104 HG2 GLU 16 1HG GLU 16 0.457 -14.300 -0.011 105 HG3 GLU 16 2HG GLU 16 0.758 -13.344 -1.461 106 HA PRO 17 HA PRO 17 -5.754 -12.688 0.621 107 HB2 PRO 17 1HB PRO 17 -5.819 -14.179 2.888 108 HB3 PRO 17 2HB PRO 17 -6.055 -14.868 1.278 109 HG2 PRO 17 1HG PRO 17 -3.593 -14.833 2.980 110 HG3 PRO 17 2HG PRO 17 -4.265 -16.158 2.012 111 HD2 PRO 17 1HD PRO 17 -2.191 -14.639 1.162 112 HD3 PRO 17 2HD PRO 17 -3.384 -15.337 0.047 113 H GLU 18 H GLU 18 -3.149 -12.916 3.050 114 HA GLU 18 HA GLU 18 -4.303 -11.088 4.861 115 HB2 GLU 18 1HB GLU 18 -2.101 -11.039 5.929 116 HB3 GLU 18 2HB GLU 18 -2.578 -12.684 5.535 117 HG2 GLU 18 1HG GLU 18 -1.192 -12.419 3.425 118 HG3 GLU 18 2HG GLU 18 -0.537 -10.962 4.171 119 H GLU 19 H GLU 19 -1.902 -10.689 2.288 120 HA GLU 19 HA GLU 19 -1.289 -7.995 2.762 121 HB2 GLU 19 1HB GLU 19 -1.224 -9.634 0.228 122 HB3 GLU 19 2HB GLU 19 -0.622 -7.985 0.321 123 HG2 GLU 19 1HG GLU 19 0.379 -10.225 2.057 124 HG3 GLU 19 2HG GLU 19 1.116 -9.763 0.524 125 H THR 20 H THR 20 -2.010 -6.084 1.759 126 HA THR 20 HA THR 20 -4.848 -6.129 1.103 127 HB THR 20 HB THR 20 -2.989 -3.784 1.548 128 HG1 THR 20 1HG THR 20 -5.039 -4.814 3.238 129 HG21 THR 20 3HG2 THR 20 -5.885 -3.992 0.855 130 HG22 THR 20 1HG2 THR 20 -4.676 -2.837 0.296 131 HG23 THR 20 2HG2 THR 20 -5.350 -2.692 1.920 132 H VAL 21 H VAL 21 -5.475 -6.278 -0.940 133 HA VAL 21 HA VAL 21 -3.666 -5.374 -3.066 134 HB VAL 21 HB VAL 21 -6.083 -7.181 -3.182 135 HG11 VAL 21 1HG1 VAL 21 -4.421 -7.181 -5.539 136 HG12 VAL 21 2HG1 VAL 21 -6.163 -6.940 -5.392 137 HG13 VAL 21 3HG1 VAL 21 -5.064 -5.571 -5.218 138 HG21 VAL 21 3HG2 VAL 21 -4.559 -8.678 -2.495 139 HG22 VAL 21 1HG2 VAL 21 -3.949 -8.580 -4.147 140 HG23 VAL 21 2HG2 VAL 21 -3.203 -7.615 -2.873 141 H VAL 22 H VAL 22 -4.179 -3.753 -4.431 142 HA VAL 22 HA VAL 22 -6.875 -2.585 -4.240 143 HB VAL 22 HB VAL 22 -5.650 -0.342 -4.663 144 HG11 VAL 22 1HG1 VAL 22 -5.647 -1.769 -2.011 145 HG12 VAL 22 2HG1 VAL 22 -5.320 -0.044 -2.193 146 HG13 VAL 22 3HG1 VAL 22 -6.889 -0.699 -2.661 147 HG21 VAL 22 3HG2 VAL 22 -3.438 -1.509 -5.005 148 HG22 VAL 22 1HG2 VAL 22 -3.419 -0.148 -3.883 149 HG23 VAL 22 2HG2 VAL 22 -3.416 -1.800 -3.266 150 H ILE 23 H ILE 23 -7.592 -1.436 -6.107 151 HA ILE 23 HA ILE 23 -6.101 -2.099 -8.562 152 HB ILE 23 HB ILE 23 -9.108 -1.990 -8.317 153 HG12 ILE 23 1HG1 ILE 23 -7.536 -4.506 -8.768 154 HG13 ILE 23 2HG1 ILE 23 -7.796 -3.914 -7.131 155 HG21 ILE 23 1HG2 ILE 23 -7.261 -2.808 -10.551 156 HG22 ILE 23 2HG2 ILE 23 -8.999 -3.105 -10.547 157 HG23 ILE 23 3HG2 ILE 23 -8.386 -1.451 -10.532 158 HD11 ILE 23 3HD1 ILE 23 -10.285 -3.878 -8.487 159 HD12 ILE 23 1HD1 ILE 23 -9.528 -5.449 -8.750 160 HD13 ILE 23 2HD1 ILE 23 -9.789 -4.860 -7.108 161 H ALA 24 H ALA 24 -6.050 -0.574 -10.189 162 HA ALA 24 HA ALA 24 -6.605 2.148 -9.353 163 HB1 ALA 24 3HB ALA 24 -4.704 0.905 -11.038 164 HB2 ALA 24 1HB ALA 24 -5.632 2.034 -12.026 165 HB3 ALA 24 2HB ALA 24 -4.810 2.603 -10.573 166 H LEU 25 H LEU 25 -8.224 3.402 -10.064 167 HA LEU 25 HA LEU 25 -10.309 2.209 -11.649 168 HB2 LEU 25 1HB LEU 25 -10.045 4.995 -10.527 169 HB3 LEU 25 2HB LEU 25 -11.498 4.322 -11.262 170 HG LEU 25 HG LEU 25 -10.281 3.015 -8.859 171 HD11 LEU 25 1HD1 LEU 25 -12.232 5.310 -8.775 172 HD12 LEU 25 2HD1 LEU 25 -10.527 5.417 -8.339 173 HD13 LEU 25 3HD1 LEU 25 -11.614 4.393 -7.401 174 HD21 LEU 25 3HD2 LEU 25 -12.607 2.352 -8.476 175 HD22 LEU 25 1HD2 LEU 25 -12.036 1.835 -10.063 176 HD23 LEU 25 2HD2 LEU 25 -13.096 3.238 -9.922 177 H TYR 26 H TYR 26 -7.776 4.575 -12.114 178 HA TYR 26 HA TYR 26 -8.475 4.674 -14.967 179 HB2 TYR 26 1HB TYR 26 -7.319 7.104 -13.668 180 HB3 TYR 26 2HB TYR 26 -8.327 6.977 -15.105 181 HD1 TYR 26 2HD TYR 26 -8.322 7.087 -11.434 182 HD2 TYR 26 1HD TYR 26 -10.734 6.940 -14.937 183 HE1 TYR 26 2HE TYR 26 -10.297 7.678 -10.092 184 HE2 TYR 26 1HE TYR 26 -12.715 7.532 -13.605 185 HH TYR 26 HH TYR 26 -12.670 7.557 -10.156 186 H ASP 27 H ASP 27 -6.685 5.172 -16.379 187 HA ASP 27 HA ASP 27 -4.266 3.883 -15.528 188 HB2 ASP 27 1HB ASP 27 -5.101 3.550 -17.796 189 HB3 ASP 27 2HB ASP 27 -4.961 5.275 -18.123 190 H TYR 28 H TYR 28 -3.235 5.108 -13.998 191 HA TYR 28 HA TYR 28 -2.770 7.925 -14.394 192 HB2 TYR 28 1HB TYR 28 -3.118 7.054 -12.137 193 HB3 TYR 28 2HB TYR 28 -1.705 6.016 -12.301 194 HD1 TYR 28 2HD TYR 28 -2.714 9.604 -12.354 195 HD2 TYR 28 1HD TYR 28 0.377 6.780 -11.596 196 HE1 TYR 28 2HE TYR 28 -1.297 11.404 -11.461 197 HE2 TYR 28 1HE TYR 28 1.803 8.573 -10.699 198 HH TYR 28 HH TYR 28 1.903 10.719 -10.096 199 H GLN 29 H GLN 29 -0.828 8.930 -14.846 200 HA GLN 29 HA GLN 29 1.407 7.197 -15.649 201 HB2 GLN 29 1HB GLN 29 0.017 9.312 -17.238 202 HB3 GLN 29 2HB GLN 29 1.742 9.068 -17.472 203 HG2 GLN 29 1HG GLN 29 1.444 6.884 -18.255 204 HG3 GLN 29 2HG GLN 29 -0.205 6.797 -17.637 205 HE21 GLN 29 1HE2 GLN 29 1.417 6.858 -20.377 206 HE22 GLN 29 2HE2 GLN 29 0.328 7.731 -21.395 207 H THR 30 H THR 30 3.490 8.172 -15.564 208 HA THR 30 HA THR 30 3.890 10.825 -14.613 209 HB THR 30 HB THR 30 3.095 9.858 -12.507 210 HG1 THR 30 1HG THR 30 5.805 10.607 -12.772 211 HG21 THR 30 3HG2 THR 30 5.085 8.204 -11.599 212 HG22 THR 30 1HG2 THR 30 4.916 7.701 -13.280 213 HG23 THR 30 2HG2 THR 30 3.517 7.672 -12.207 214 H ASN 31 H ASN 31 6.027 11.453 -14.738 215 HA ASN 31 HA ASN 31 7.898 9.392 -15.703 216 HB2 ASN 31 1HB ASN 31 7.885 12.344 -16.371 217 HB3 ASN 31 2HB ASN 31 8.989 11.135 -17.021 218 HD21 ASN 31 1HD2 ASN 31 8.385 9.943 -18.732 219 HD22 ASN 31 2HD2 ASN 31 6.850 10.066 -19.516 220 H ASP 32 H ASP 32 7.584 9.863 -12.965 221 HA ASP 32 HA ASP 32 10.215 11.007 -12.323 222 HB2 ASP 32 1HB ASP 32 7.563 11.687 -11.148 223 HB3 ASP 32 2HB ASP 32 8.943 11.607 -10.057 224 HA PRO 33 HA PRO 33 10.918 7.221 -10.203 225 HB2 PRO 33 1HB PRO 33 12.781 8.036 -8.404 226 HB3 PRO 33 2HB PRO 33 13.130 7.840 -10.126 227 HG2 PRO 33 1HG PRO 33 12.513 10.335 -8.590 228 HG3 PRO 33 2HG PRO 33 13.743 10.065 -9.839 229 HD2 PRO 33 1HD PRO 33 11.385 11.290 -10.358 230 HD3 PRO 33 2HD PRO 33 12.226 10.291 -11.560 231 H GLN 34 H GLN 34 10.220 10.109 -8.294 232 HA GLN 34 HA GLN 34 9.667 8.724 -5.871 233 HB2 GLN 34 1HB GLN 34 8.973 10.802 -5.005 234 HB3 GLN 34 2HB GLN 34 10.254 11.190 -6.146 235 HG2 GLN 34 1HG GLN 34 8.253 11.473 -7.814 236 HG3 GLN 34 2HG GLN 34 7.330 11.699 -6.329 237 HE21 GLN 34 1HE2 GLN 34 7.627 13.529 -5.117 238 HE22 GLN 34 2HE2 GLN 34 8.550 14.883 -5.662 239 H GLU 35 H GLU 35 7.841 9.425 -8.725 240 HA GLU 35 HA GLU 35 5.401 8.422 -7.413 241 HB2 GLU 35 1HB GLU 35 5.754 10.263 -9.776 242 HB3 GLU 35 2HB GLU 35 4.218 9.505 -9.382 243 HG2 GLU 35 1HG GLU 35 4.184 10.616 -7.233 244 HG3 GLU 35 2HG GLU 35 5.767 11.323 -7.551 245 H LEU 36 H LEU 36 4.099 6.914 -8.540 246 HA LEU 36 HA LEU 36 5.531 5.443 -10.654 247 HB2 LEU 36 1HB LEU 36 5.537 4.073 -8.736 248 HB3 LEU 36 2HB LEU 36 3.858 4.458 -8.363 249 HG LEU 36 HG LEU 36 3.360 3.234 -10.608 250 HD11 LEU 36 1HD1 LEU 36 5.835 1.718 -9.911 251 HD12 LEU 36 2HD1 LEU 36 5.928 3.106 -10.994 252 HD13 LEU 36 3HD1 LEU 36 4.909 1.729 -11.412 253 HD21 LEU 36 3HD2 LEU 36 3.771 0.998 -9.149 254 HD22 LEU 36 1HD2 LEU 36 2.417 2.102 -8.907 255 HD23 LEU 36 2HD2 LEU 36 3.851 2.228 -7.887 256 H ALA 37 H ALA 37 4.298 4.519 -12.327 257 HA ALA 37 HA ALA 37 1.775 5.913 -12.813 258 HB1 ALA 37 3HB ALA 37 3.525 4.308 -14.672 259 HB2 ALA 37 1HB ALA 37 2.048 5.152 -15.138 260 HB3 ALA 37 2HB ALA 37 3.442 6.066 -14.563 261 H LEU 38 H LEU 38 -0.145 4.935 -12.727 262 HA LEU 38 HA LEU 38 -0.213 2.060 -12.201 263 HB2 LEU 38 1HB LEU 38 -2.367 4.154 -11.954 264 HB3 LEU 38 2HB LEU 38 -2.533 2.460 -11.500 265 HG LEU 38 HG LEU 38 -0.523 4.296 -10.216 266 HD11 LEU 38 1HD1 LEU 38 -3.313 3.661 -9.268 267 HD12 LEU 38 2HD1 LEU 38 -2.772 5.217 -9.897 268 HD13 LEU 38 3HD1 LEU 38 -2.097 4.591 -8.392 269 HD21 LEU 38 3HD2 LEU 38 0.140 2.428 -9.221 270 HD22 LEU 38 1HD2 LEU 38 -1.104 1.503 -10.061 271 HD23 LEU 38 2HD2 LEU 38 -1.465 2.260 -8.509 272 H ARG 39 H ARG 39 -2.117 0.854 -13.140 273 HA ARG 39 HA ARG 39 -2.586 1.698 -15.924 274 HB2 ARG 39 1HB ARG 39 -0.992 -0.280 -15.539 275 HB3 ARG 39 2HB ARG 39 -2.424 -1.179 -15.054 276 HG2 ARG 39 1HG ARG 39 -3.278 -1.239 -17.173 277 HG3 ARG 39 2HG ARG 39 -2.464 0.249 -17.660 278 HD2 ARG 39 1HD ARG 39 -1.190 -1.262 -18.796 279 HD3 ARG 39 2HD ARG 39 -0.308 -1.232 -17.269 280 HE ARG 39 HE ARG 39 -2.378 -3.234 -17.417 281 HH11 ARG 39 1HH1 ARG 39 0.970 -2.488 -18.009 282 HH12 ARG 39 2HH1 ARG 39 1.484 -4.141 -17.951 283 HH21 ARG 39 1HH2 ARG 39 -1.714 -5.415 -17.339 284 HH22 ARG 39 2HH2 ARG 39 -0.044 -5.806 -17.571 285 H ARG 40 H ARG 40 -4.595 1.135 -16.852 286 HA ARG 40 HA ARG 40 -6.783 1.231 -15.027 287 HB2 ARG 40 1HB ARG 40 -6.921 2.351 -17.180 288 HB3 ARG 40 2HB ARG 40 -6.712 0.820 -18.020 289 HG2 ARG 40 1HG ARG 40 -8.851 0.106 -17.530 290 HG3 ARG 40 2HG ARG 40 -9.003 1.185 -16.142 291 HD2 ARG 40 1HD ARG 40 -10.319 2.285 -17.656 292 HD3 ARG 40 2HD ARG 40 -8.763 3.047 -17.984 293 HE ARG 40 HE ARG 40 -8.987 0.831 -19.655 294 HH11 ARG 40 1HH1 ARG 40 -10.544 3.905 -19.159 295 HH12 ARG 40 2HH1 ARG 40 -11.017 4.080 -20.816 296 HH21 ARG 40 1HH2 ARG 40 -9.604 1.050 -21.840 297 HH22 ARG 40 2HH2 ARG 40 -10.483 2.456 -22.340 298 H ASN 41 H ASN 41 -7.831 -0.395 -14.096 299 HA ASN 41 HA ASN 41 -8.638 -2.472 -13.633 300 HB2 ASN 41 1HB ASN 41 -7.945 -3.225 -16.475 301 HB3 ASN 41 2HB ASN 41 -9.143 -3.979 -15.427 302 HD21 ASN 41 1HD2 ASN 41 -10.353 -3.501 -17.508 303 HD22 ASN 41 2HD2 ASN 41 -11.200 -1.997 -17.568 304 H GLU 42 H GLU 42 -6.084 -1.959 -12.840 305 HA GLU 42 HA GLU 42 -4.813 -4.592 -13.148 306 HB2 GLU 42 1HB GLU 42 -3.593 -1.885 -13.481 307 HB3 GLU 42 2HB GLU 42 -2.616 -3.173 -12.790 308 HG2 GLU 42 1HG GLU 42 -3.837 -3.012 -15.519 309 HG3 GLU 42 2HG GLU 42 -2.142 -3.205 -15.076 310 H GLU 43 H GLU 43 -4.211 -5.544 -11.292 311 HA GLU 43 HA GLU 43 -4.886 -4.233 -8.807 312 HB2 GLU 43 1HB GLU 43 -4.013 -7.011 -9.549 313 HB3 GLU 43 2HB GLU 43 -4.064 -6.500 -7.868 314 HG2 GLU 43 1HG GLU 43 -6.406 -6.119 -7.968 315 HG3 GLU 43 2HG GLU 43 -6.424 -6.321 -9.719 316 H TYR 44 H TYR 44 -3.442 -4.070 -6.998 317 HA TYR 44 HA TYR 44 -0.590 -4.260 -7.530 318 HB2 TYR 44 1HB TYR 44 -1.968 -1.653 -6.868 319 HB3 TYR 44 2HB TYR 44 -0.231 -1.904 -6.723 320 HD1 TYR 44 1HD TYR 44 -3.035 -1.936 -9.159 321 HD2 TYR 44 2HD TYR 44 1.173 -1.663 -8.589 322 HE1 TYR 44 1HE TYR 44 -2.758 -1.340 -11.529 323 HE2 TYR 44 2HE TYR 44 1.461 -1.066 -10.958 324 HH TYR 44 HH TYR 44 -0.238 0.094 -12.783 325 H CYS 45 H CYS 45 0.659 -4.457 -5.689 326 HA CYS 45 HA CYS 45 -0.824 -5.095 -3.268 327 HB2 CYS 45 1HB CYS 45 0.913 -6.646 -4.147 328 HB3 CYS 45 2HB CYS 45 2.129 -5.410 -3.847 329 HG CYS 45 HG CYS 45 1.615 -7.727 -1.902 330 H LEU 46 H LEU 46 -1.002 -3.759 -1.599 331 HA LEU 46 HA LEU 46 0.279 -1.198 -1.625 332 HB2 LEU 46 1HB LEU 46 -1.919 -1.234 -0.795 333 HB3 LEU 46 2HB LEU 46 -1.578 -2.590 0.278 334 HG LEU 46 HG LEU 46 -0.147 -1.073 1.639 335 HD11 LEU 46 1HD1 LEU 46 -0.773 1.424 1.220 336 HD12 LEU 46 2HD1 LEU 46 -1.062 0.872 -0.430 337 HD13 LEU 46 3HD1 LEU 46 0.530 0.670 0.301 338 HD21 LEU 46 3HD2 LEU 46 -1.976 -0.918 2.881 339 HD22 LEU 46 1HD2 LEU 46 -2.983 -1.190 1.459 340 HD23 LEU 46 2HD2 LEU 46 -2.518 0.451 1.909 341 H LEU 47 H LEU 47 2.255 -0.795 -0.910 342 HA LEU 47 HA LEU 47 3.646 -2.699 0.760 343 HB2 LEU 47 1HB LEU 47 4.532 -0.035 -0.336 344 HB3 LEU 47 2HB LEU 47 5.570 -1.208 0.471 345 HG LEU 47 HG LEU 47 4.113 -1.789 -2.101 346 HD11 LEU 47 1HD1 LEU 47 6.743 -0.470 -1.601 347 HD12 LEU 47 2HD1 LEU 47 5.511 -0.102 -2.807 348 HD13 LEU 47 3HD1 LEU 47 6.541 -1.520 -3.003 349 HD21 LEU 47 3HD2 LEU 47 5.300 -3.746 -2.185 350 HD22 LEU 47 1HD2 LEU 47 5.081 -3.584 -0.442 351 HD23 LEU 47 2HD2 LEU 47 6.613 -3.123 -1.184 352 H ASP 48 H ASP 48 2.920 0.785 0.998 353 HA ASP 48 HA ASP 48 2.539 0.478 3.873 354 HB2 ASP 48 1HB ASP 48 4.984 1.147 3.250 355 HB3 ASP 48 2HB ASP 48 4.281 2.730 2.926 356 H SER 49 H SER 49 1.138 1.957 4.767 357 HA SER 49 HA SER 49 -0.133 3.812 2.861 358 HB2 SER 49 1HB SER 49 -2.215 3.509 4.105 359 HB3 SER 49 2HB SER 49 -1.597 1.947 3.569 360 HG SER 49 HG SER 49 -1.354 1.368 5.577 361 H SER 50 H SER 50 2.150 4.496 4.416 362 HA SER 50 HA SER 50 1.754 5.739 6.825 363 HB2 SER 50 1HB SER 50 3.930 5.540 5.565 364 HB3 SER 50 2HB SER 50 3.420 6.922 4.595 365 HG SER 50 HG SER 50 4.178 6.806 7.284 366 H GLU 51 H GLU 51 1.407 7.285 3.629 367 HA GLU 51 HA GLU 51 0.072 9.561 4.846 368 HB2 GLU 51 1HB GLU 51 1.218 8.941 2.172 369 HB3 GLU 51 2HB GLU 51 -0.083 10.121 2.240 370 HG2 GLU 51 1HG GLU 51 2.492 10.267 3.791 371 HG3 GLU 51 2HG GLU 51 2.122 11.169 2.323 372 H ILE 52 H ILE 52 -1.909 10.402 3.589 373 HA ILE 52 HA ILE 52 -3.819 8.182 3.415 374 HB ILE 52 HB ILE 52 -4.351 11.139 3.727 375 HG12 ILE 52 1HG1 ILE 52 -4.873 9.060 5.824 376 HG13 ILE 52 2HG1 ILE 52 -3.258 9.737 5.649 377 HG21 ILE 52 1HG2 ILE 52 -6.062 8.861 3.126 378 HG22 ILE 52 2HG2 ILE 52 -6.591 9.772 4.540 379 HG23 ILE 52 3HG2 ILE 52 -6.387 10.589 2.991 380 HD11 ILE 52 3HD1 ILE 52 -4.925 11.947 5.678 381 HD12 ILE 52 1HD1 ILE 52 -5.608 10.859 6.887 382 HD13 ILE 52 2HD1 ILE 52 -3.920 11.359 7.002 383 H HIS 53 H HIS 53 -3.164 11.292 1.792 384 HA HIS 53 HA HIS 53 -4.763 10.665 -0.477 385 HB2 HIS 53 1HB HIS 53 -2.546 12.703 -0.448 386 HB3 HIS 53 2HB HIS 53 -4.042 12.727 -1.377 387 HD1 HIS 53 1HD HIS 53 -6.245 13.295 -0.022 388 HD2 HIS 53 2HD HIS 53 -2.685 13.865 2.042 389 HE1 HIS 53 1HE HIS 53 -6.841 14.715 1.966 390 HE2 HIS 53 2HE HIS 53 -4.656 15.118 3.153 391 H TRP 54 H TRP 54 -1.382 10.259 0.331 392 HA TRP 54 HA TRP 54 -0.928 9.060 -2.322 393 HB2 TRP 54 1HB TRP 54 1.133 10.188 -0.415 394 HB3 TRP 54 2HB TRP 54 1.442 9.552 -2.029 395 HD1 TRP 54 HD TRP 54 0.804 12.724 -0.276 396 HE1 TRP 54 1HE TRP 54 0.300 14.609 -1.954 397 HE3 TRP 54 3HE TRP 54 0.044 9.897 -4.467 398 HZ2 TRP 54 2HZ TRP 54 -0.335 14.864 -4.693 399 HZ3 TRP 54 3HZ TRP 54 -0.508 11.039 -6.576 400 HH2 TRP 54 HH TRP 54 -0.693 13.471 -6.684 401 H TRP 55 H TRP 55 -0.603 6.939 -2.402 402 HA TRP 55 HA TRP 55 0.186 5.554 0.077 403 HB2 TRP 55 1HB TRP 55 -1.879 4.886 -1.979 404 HB3 TRP 55 2HB TRP 55 -1.050 3.570 -1.152 405 HD1 TRP 55 HD TRP 55 -1.236 6.169 1.345 406 HE1 TRP 55 1HE TRP 55 -3.273 5.871 2.889 407 HE3 TRP 55 3HE TRP 55 -3.893 2.816 -1.455 408 HZ2 TRP 55 2HZ TRP 55 -5.687 4.408 2.917 409 HZ3 TRP 55 3HZ TRP 55 -6.056 2.017 -0.598 410 HH2 TRP 55 HH TRP 55 -6.933 2.797 1.543 411 H ARG 56 H ARG 56 1.711 3.936 -0.055 412 HA ARG 56 HA ARG 56 3.273 3.908 -2.529 413 HB2 ARG 56 1HB ARG 56 4.199 4.330 -0.112 414 HB3 ARG 56 2HB ARG 56 4.150 2.576 0.005 415 HG2 ARG 56 1HG ARG 56 5.621 2.382 -1.915 416 HG3 ARG 56 2HG ARG 56 5.633 4.137 -2.100 417 HD2 ARG 56 1HD ARG 56 6.758 4.419 -0.012 418 HD3 ARG 56 2HD ARG 56 6.555 2.715 0.390 419 HE ARG 56 HE ARG 56 8.037 3.139 -2.029 420 HH11 ARG 56 1HH1 ARG 56 8.239 2.969 1.442 421 HH12 ARG 56 2HH1 ARG 56 9.918 2.543 1.454 422 HH21 ARG 56 1HH2 ARG 56 10.248 2.579 -2.026 423 HH22 ARG 56 2HH2 ARG 56 11.060 2.322 -0.519 424 H VAL 57 H VAL 57 2.580 2.401 -3.917 425 HA VAL 57 HA VAL 57 2.106 -0.317 -2.875 426 HB VAL 57 HB VAL 57 0.508 -0.715 -4.617 427 HG11 VAL 57 1HG1 VAL 57 -0.271 2.005 -3.647 428 HG12 VAL 57 2HG1 VAL 57 -1.257 0.552 -3.816 429 HG13 VAL 57 3HG1 VAL 57 -0.082 0.674 -2.506 430 HG21 VAL 57 3HG2 VAL 57 1.653 0.629 -6.358 431 HG22 VAL 57 1HG2 VAL 57 -0.087 0.911 -6.294 432 HG23 VAL 57 2HG2 VAL 57 1.024 2.091 -5.598 433 H GLN 58 H GLN 58 2.445 -2.032 -4.579 434 HA GLN 58 HA GLN 58 4.731 -1.334 -6.301 435 HB2 GLN 58 1HB GLN 58 5.300 -2.671 -4.220 436 HB3 GLN 58 2HB GLN 58 4.373 -3.992 -4.919 437 HG2 GLN 58 1HG GLN 58 5.889 -4.292 -6.665 438 HG3 GLN 58 2HG GLN 58 6.623 -2.708 -6.419 439 HE21 GLN 58 1HE2 GLN 58 8.474 -2.664 -5.369 440 HE22 GLN 58 2HE2 GLN 58 9.086 -3.903 -4.332 441 H ASP 59 H ASP 59 4.785 -2.201 -8.333 442 HA ASP 59 HA ASP 59 2.285 -3.253 -9.336 443 HB2 ASP 59 1HB ASP 59 3.668 -1.513 -10.536 444 HB3 ASP 59 2HB ASP 59 4.840 -2.783 -10.878 445 H ARG 60 H ARG 60 2.295 -5.123 -10.853 446 HA ARG 60 HA ARG 60 3.212 -7.440 -9.576 447 HB2 ARG 60 1HB ARG 60 1.308 -7.530 -11.050 448 HB3 ARG 60 2HB ARG 60 2.281 -6.996 -12.414 449 HG2 ARG 60 1HG ARG 60 3.298 -9.044 -12.668 450 HG3 ARG 60 2HG ARG 60 3.005 -9.514 -10.992 451 HD2 ARG 60 1HD ARG 60 0.841 -10.154 -11.407 452 HD3 ARG 60 2HD ARG 60 0.668 -9.061 -12.779 453 HE ARG 60 HE ARG 60 2.539 -11.209 -13.207 454 HH11 ARG 60 1HH1 ARG 60 -0.786 -10.198 -13.419 455 HH12 ARG 60 2HH1 ARG 60 -1.198 -11.362 -14.634 456 HH21 ARG 60 1HH2 ARG 60 2.008 -12.746 -14.807 457 HH22 ARG 60 2HH2 ARG 60 0.391 -12.811 -15.423 458 H ASN 61 H ASN 61 4.697 -5.383 -11.951 459 HA ASN 61 HA ASN 61 6.714 -7.273 -12.732 460 HB2 ASN 61 1HB ASN 61 6.176 -4.380 -13.275 461 HB3 ASN 61 2HB ASN 61 7.777 -5.028 -13.619 462 HD21 ASN 61 1HD2 ASN 61 4.391 -5.175 -14.418 463 HD22 ASN 61 2HD2 ASN 61 4.579 -6.000 -15.924 464 H GLY 62 H GLY 62 6.648 -4.363 -10.683 465 HA2 GLY 62 1HA GLY 62 7.990 -4.910 -8.534 466 HA3 GLY 62 2HA GLY 62 9.317 -5.073 -9.675 467 H HIS 63 H HIS 63 6.735 -2.697 -9.913 468 HA HIS 63 HA HIS 63 8.712 -0.592 -9.327 469 HB2 HIS 63 1HB HIS 63 6.407 -0.074 -11.160 470 HB3 HIS 63 2HB HIS 63 7.993 0.690 -11.116 471 HD1 HIS 63 1HD HIS 63 6.520 -0.654 -13.643 472 HD2 HIS 63 2HD HIS 63 9.653 -2.243 -11.425 473 HE1 HIS 63 1HE HIS 63 7.659 -2.295 -15.170 474 HE2 HIS 63 2HE HIS 63 9.499 -3.306 -13.778 475 H GLU 64 H GLU 64 8.180 0.833 -7.795 476 HA GLU 64 HA GLU 64 5.357 1.018 -6.980 477 HB2 GLU 64 1HB GLU 64 6.427 1.459 -4.628 478 HB3 GLU 64 2HB GLU 64 6.179 -0.186 -5.195 479 HG2 GLU 64 1HG GLU 64 8.340 -0.085 -4.236 480 HG3 GLU 64 2HG GLU 64 8.548 -0.188 -5.984 481 H GLY 65 H GLY 65 5.220 2.988 -5.311 482 HA2 GLY 65 1HA GLY 65 6.801 5.194 -5.342 483 HA3 GLY 65 2HA GLY 65 5.951 5.298 -6.876 484 H TYR 66 H TYR 66 5.376 7.373 -5.587 485 HA TYR 66 HA TYR 66 3.191 6.961 -3.707 486 HB2 TYR 66 1HB TYR 66 4.594 9.450 -4.687 487 HB3 TYR 66 2HB TYR 66 3.226 9.480 -3.580 488 HD1 TYR 66 1HD TYR 66 3.860 7.178 -1.833 489 HD2 TYR 66 2HD TYR 66 6.383 10.223 -3.403 490 HE1 TYR 66 1HE TYR 66 5.391 6.883 0.070 491 HE2 TYR 66 2HE TYR 66 7.921 9.936 -1.505 492 HH TYR 66 HH TYR 66 7.390 7.418 0.926 493 H VAL 67 H VAL 67 1.326 6.412 -4.658 494 HA VAL 67 HA VAL 67 0.458 7.956 -7.013 495 HB VAL 67 HB VAL 67 -1.172 6.017 -7.334 496 HG11 VAL 67 1HG1 VAL 67 1.603 6.298 -8.026 497 HG12 VAL 67 2HG1 VAL 67 1.168 4.592 -7.912 498 HG13 VAL 67 3HG1 VAL 67 0.269 5.663 -8.988 499 HG21 VAL 67 3HG2 VAL 67 -0.920 5.034 -5.108 500 HG22 VAL 67 1HG2 VAL 67 -0.509 3.873 -6.371 501 HG23 VAL 67 2HG2 VAL 67 0.771 4.671 -5.456 502 HA PRO 68 HA PRO 68 -2.889 9.666 -4.742 503 HB2 PRO 68 1HB PRO 68 -4.771 9.884 -6.686 504 HB3 PRO 68 2HB PRO 68 -3.346 10.928 -6.606 505 HG2 PRO 68 1HG PRO 68 -3.824 8.501 -8.293 506 HG3 PRO 68 2HG PRO 68 -3.085 10.049 -8.743 507 HD2 PRO 68 1HD PRO 68 -1.619 7.842 -8.185 508 HD3 PRO 68 2HD PRO 68 -1.045 9.485 -7.830 509 H SER 69 H SER 69 -3.693 8.264 -3.254 510 HA SER 69 HA SER 69 -4.704 5.779 -3.465 511 HB2 SER 69 1HB SER 69 -5.834 6.105 -1.423 512 HB3 SER 69 2HB SER 69 -4.526 7.287 -1.383 513 HG SER 69 HG SER 69 -7.266 7.727 -1.943 514 H SER 70 H SER 70 -6.355 8.739 -4.375 515 HA SER 70 HA SER 70 -8.955 7.988 -4.641 516 HB2 SER 70 1HB SER 70 -7.346 9.598 -6.638 517 HB3 SER 70 2HB SER 70 -9.107 9.557 -6.553 518 HG SER 70 HG SER 70 -9.000 10.502 -4.523 519 H TYR 71 H TYR 71 -6.348 7.311 -6.952 520 HA TYR 71 HA TYR 71 -8.005 5.930 -8.803 521 HB2 TYR 71 1HB TYR 71 -5.030 6.113 -8.398 522 HB3 TYR 71 2HB TYR 71 -5.717 5.030 -9.603 523 HD1 TYR 71 1HD TYR 71 -6.730 8.478 -8.602 524 HD2 TYR 71 2HD TYR 71 -5.208 5.954 -11.671 525 HE1 TYR 71 1HE TYR 71 -6.864 10.346 -10.197 526 HE2 TYR 71 2HE TYR 71 -5.336 7.816 -13.273 527 HH TYR 71 HH TYR 71 -7.090 10.346 -13.015 528 H LEU 72 H LEU 72 -5.875 4.885 -6.175 529 HA LEU 72 HA LEU 72 -6.238 2.101 -6.631 530 HB2 LEU 72 1HB LEU 72 -5.278 3.661 -4.243 531 HB3 LEU 72 2HB LEU 72 -5.327 1.900 -4.290 532 HG LEU 72 HG LEU 72 -3.661 3.688 -6.061 533 HD11 LEU 72 1HD1 LEU 72 -3.004 1.923 -3.717 534 HD12 LEU 72 2HD1 LEU 72 -2.705 3.651 -3.898 535 HD13 LEU 72 3HD1 LEU 72 -1.793 2.493 -4.866 536 HD21 LEU 72 3HD2 LEU 72 -4.327 1.755 -7.312 537 HD22 LEU 72 1HD2 LEU 72 -3.946 0.689 -5.959 538 HD23 LEU 72 2HD2 LEU 72 -2.651 1.538 -6.804 539 H VAL 73 H VAL 73 -7.618 0.650 -5.690 540 HA VAL 73 HA VAL 73 -9.611 1.661 -3.791 541 HB VAL 73 HB VAL 73 -11.466 0.925 -4.985 542 HG11 VAL 73 1HG1 VAL 73 -9.960 2.830 -6.070 543 HG12 VAL 73 2HG1 VAL 73 -9.937 1.681 -7.409 544 HG13 VAL 73 3HG1 VAL 73 -11.474 2.295 -6.800 545 HG21 VAL 73 3HG2 VAL 73 -11.204 -0.447 -7.110 546 HG22 VAL 73 1HG2 VAL 73 -9.536 -0.715 -6.603 547 HG23 VAL 73 2HG2 VAL 73 -10.867 -1.272 -5.588 548 H GLU 74 H GLU 74 -10.048 0.278 -2.181 549 HA GLU 74 HA GLU 74 -8.537 -2.088 -1.869 550 HB2 GLU 74 1HB GLU 74 -9.660 -0.508 -0.099 551 HB3 GLU 74 2HB GLU 74 -11.031 -1.593 -0.290 552 HG2 GLU 74 1HG GLU 74 -9.156 -3.424 0.091 553 HG3 GLU 74 2HG GLU 74 -8.374 -2.082 0.924 554 H LYS 75 H LYS 75 -8.847 -3.834 -3.087 555 HA LYS 75 HA LYS 75 -11.043 -4.549 -4.559 556 HB2 LYS 75 1HB LYS 75 -8.932 -5.684 -4.837 557 HB3 LYS 75 2HB LYS 75 -9.018 -6.338 -3.207 558 HG2 LYS 75 1HG LYS 75 -9.700 -8.160 -4.371 559 HG3 LYS 75 2HG LYS 75 -11.265 -7.380 -4.131 560 HD2 LYS 75 1HD LYS 75 -11.305 -6.544 -6.329 561 HD3 LYS 75 2HD LYS 75 -9.582 -6.847 -6.564 562 HE2 LYS 75 1HE LYS 75 -10.607 -8.564 -7.757 563 HE3 LYS 75 2HE LYS 75 -10.184 -9.323 -6.223 564 HZ1 LYS 75 3HZ LYS 75 -12.312 -9.711 -5.778 565 HZ2 LYS 75 1HZ LYS 75 -12.656 -9.292 -7.381 566 HZ3 LYS 75 2HZ LYS 75 -12.779 -8.130 -6.159 567 H SER 76 H SER 76 -13.055 -4.493 -3.726 568 HA SER 76 HA SER 76 -13.807 -5.200 -1.132 569 HB2 SER 76 1HB SER 76 -15.386 -5.092 -3.704 570 HB3 SER 76 2HB SER 76 -16.130 -5.415 -2.138 571 HG SER 76 HG SER 76 -15.627 -3.398 -1.469 572 HA PRO 77 HA PRO 77 -13.708 -9.599 -1.114 573 HB2 PRO 77 1HB PRO 77 -15.506 -10.066 0.866 574 HB3 PRO 77 2HB PRO 77 -13.880 -9.443 1.172 575 HG2 PRO 77 1HG PRO 77 -16.475 -7.961 1.007 576 HG3 PRO 77 2HG PRO 77 -15.149 -7.768 2.168 577 HD2 PRO 77 1HD PRO 77 -15.494 -6.103 0.061 578 HD3 PRO 77 2HD PRO 77 -13.890 -6.500 0.712 579 H ASN 78 H ASN 78 -16.679 -7.842 -1.591 580 HA ASN 78 HA ASN 78 -17.849 -10.228 -2.866 581 HB2 ASN 78 1HB ASN 78 -19.302 -9.848 -1.091 582 HB3 ASN 78 2HB ASN 78 -19.100 -8.100 -1.166 583 HD21 ASN 78 1HD2 ASN 78 -20.968 -10.757 -2.112 584 HD22 ASN 78 2HD2 ASN 78 -22.074 -9.921 -3.144 585 H ASN 79 H ASN 79 -17.682 -10.008 -4.998 586 HA ASN 79 HA ASN 79 -17.237 -7.651 -6.400 587 HB2 ASN 79 1HB ASN 79 -18.387 -10.303 -7.261 588 HB3 ASN 79 2HB ASN 79 -18.100 -8.992 -8.401 589 HD21 ASN 79 1HD2 ASN 79 -15.860 -8.078 -8.348 590 HD22 ASN 79 2HD2 ASN 79 -14.557 -9.200 -8.178 591 H LEU 80 H LEU 80 -18.584 -6.387 -7.760 592 HA LEU 80 HA LEU 80 -21.293 -6.101 -6.709 593 HB2 LEU 80 1HB LEU 80 -19.710 -4.325 -8.561 594 HB3 LEU 80 2HB LEU 80 -21.297 -3.954 -7.891 595 HG LEU 80 HG LEU 80 -18.996 -4.470 -6.053 596 HD11 LEU 80 1HD1 LEU 80 -19.588 -1.726 -7.103 597 HD12 LEU 80 2HD1 LEU 80 -18.396 -2.769 -7.879 598 HD13 LEU 80 3HD1 LEU 80 -18.186 -2.292 -6.195 599 HD21 LEU 80 3HD2 LEU 80 -21.583 -4.057 -5.549 600 HD22 LEU 80 1HD2 LEU 80 -21.048 -2.378 -5.627 601 HD23 LEU 80 2HD2 LEU 80 -20.301 -3.489 -4.478 602 H GLU 81 H GLU 81 -21.445 -8.307 -8.029 603 HA GLU 81 HA GLU 81 -21.970 -7.915 -10.845 604 HB2 GLU 81 1HB GLU 81 -21.892 -10.236 -8.985 605 HB3 GLU 81 2HB GLU 81 -22.879 -10.390 -10.432 606 HG2 GLU 81 1HG GLU 81 -20.836 -9.684 -11.740 607 HG3 GLU 81 2HG GLU 81 -19.923 -9.907 -10.249 608 H THR 82 H THR 82 -23.651 -6.320 -10.624 609 HA THR 82 HA THR 82 -26.252 -7.441 -10.753 610 HB THR 82 HB THR 82 -26.070 -7.452 -8.312 611 HG1 THR 82 1HG THR 82 -27.777 -5.313 -9.083 612 HG21 THR 82 3HG2 THR 82 -24.516 -5.770 -7.793 613 HG22 THR 82 1HG2 THR 82 -26.050 -5.149 -7.187 614 HG23 THR 82 2HG2 THR 82 -25.397 -4.550 -8.712 615 H TYR 83 H TYR 83 -27.826 -5.946 -11.474 616 HA TYR 83 HA TYR 83 -26.863 -3.895 -13.117 617 HB2 TYR 83 1HB TYR 83 -29.588 -4.691 -12.158 618 HB3 TYR 83 2HB TYR 83 -29.387 -3.193 -13.060 619 HD1 TYR 83 2HD TYR 83 -28.958 -6.863 -13.232 620 HD2 TYR 83 1HD TYR 83 -29.083 -3.211 -15.411 621 HE1 TYR 83 2HE TYR 83 -29.029 -8.130 -15.339 622 HE2 TYR 83 1HE TYR 83 -29.156 -4.468 -17.524 623 HH TYR 83 HH TYR 83 -28.365 -7.648 -17.800 624 H GLU 84 H GLU 84 -26.168 -1.929 -12.637 625 HA GLU 84 HA GLU 84 -27.237 -0.602 -10.234 626 HB2 GLU 84 1HB GLU 84 -24.403 -0.762 -11.233 627 HB3 GLU 84 2HB GLU 84 -24.927 0.537 -10.170 628 HG2 GLU 84 1HG GLU 84 -25.369 -2.330 -9.438 629 HG3 GLU 84 2HG GLU 84 -23.826 -1.534 -9.135 630 H TRP 85 H TRP 85 -28.680 0.742 -11.210 631 HA TRP 85 HA TRP 85 -27.619 2.574 -13.259 632 HB2 TRP 85 1HB TRP 85 -29.659 2.599 -14.336 633 HB3 TRP 85 2HB TRP 85 -29.644 0.950 -13.717 634 HD1 TRP 85 HD TRP 85 -31.308 0.380 -11.692 635 HE1 TRP 85 1HE TRP 85 -33.434 1.557 -10.841 636 HE3 TRP 85 3HE TRP 85 -30.727 4.892 -14.024 637 HZ2 TRP 85 2HZ TRP 85 -34.697 4.065 -11.123 638 HZ3 TRP 85 3HZ TRP 85 -32.439 6.626 -13.682 639 HH2 TRP 85 HH TRP 85 -34.383 6.219 -12.261 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -21.582 -31.646 -28.734 2 HA2 GLY 1 1HA GLY 1 -20.155 -33.744 -29.090 3 HA3 GLY 1 2HA GLY 1 -19.270 -32.269 -28.731 4 H SER 2 H SER 2 -19.516 -35.435 -27.949 5 HA SER 2 HA SER 2 -18.957 -35.139 -25.106 6 HB2 SER 2 1HB SER 2 -19.202 -37.594 -26.860 7 HB3 SER 2 2HB SER 2 -18.893 -37.636 -25.124 8 HG SER 2 HG SER 2 -20.929 -36.194 -25.163 9 H SER 3 H SER 3 -17.358 -36.410 -28.014 10 HA SER 3 HA SER 3 -14.871 -36.844 -26.640 11 HB2 SER 3 1HB SER 3 -15.843 -38.046 -28.766 12 HB3 SER 3 2HB SER 3 -15.072 -36.714 -29.628 13 HG SER 3 HG SER 3 -13.199 -37.415 -28.121 14 H GLY 4 H GLY 4 -14.130 -34.918 -25.816 15 HA2 GLY 4 1HA GLY 4 -12.576 -33.277 -27.469 16 HA3 GLY 4 2HA GLY 4 -14.107 -32.459 -27.193 17 H SER 5 H SER 5 -12.695 -30.830 -26.188 18 HA SER 5 HA SER 5 -11.871 -31.583 -23.464 19 HB2 SER 5 1HB SER 5 -10.119 -30.635 -25.011 20 HB3 SER 5 2HB SER 5 -11.025 -29.122 -25.007 21 HG SER 5 HG SER 5 -9.660 -30.379 -22.885 22 H SER 6 H SER 6 -13.512 -31.195 -22.112 23 HA SER 6 HA SER 6 -15.466 -29.174 -22.518 24 HB2 SER 6 1HB SER 6 -15.975 -31.208 -21.253 25 HB3 SER 6 2HB SER 6 -14.792 -30.757 -20.026 26 HG SER 6 HG SER 6 -16.239 -28.701 -20.063 27 H GLY 7 H GLY 7 -12.810 -29.481 -20.158 28 HA2 GLY 7 1HA GLY 7 -11.701 -27.046 -20.220 29 HA3 GLY 7 2HA GLY 7 -13.178 -26.720 -19.325 30 H GLU 8 H GLU 8 -13.458 -27.628 -17.255 31 HA GLU 8 HA GLU 8 -12.766 -28.198 -15.164 32 HB2 GLU 8 1HB GLU 8 -12.371 -30.363 -16.545 33 HB3 GLU 8 2HB GLU 8 -10.668 -29.957 -16.394 34 HG2 GLU 8 1HG GLU 8 -11.481 -31.560 -14.691 35 HG3 GLU 8 2HG GLU 8 -10.769 -30.096 -14.016 36 H ASP 9 H ASP 9 -11.671 -25.856 -16.125 37 HA ASP 9 HA ASP 9 -8.839 -25.919 -15.391 38 HB2 ASP 9 1HB ASP 9 -8.782 -23.603 -16.243 39 HB3 ASP 9 2HB ASP 9 -9.396 -24.731 -17.448 40 H ASN 10 H ASN 10 -8.061 -24.025 -14.050 41 HA ASN 10 HA ASN 10 -9.859 -23.726 -11.746 42 HB2 ASN 10 1HB ASN 10 -6.920 -23.109 -11.678 43 HB3 ASN 10 2HB ASN 10 -7.980 -23.596 -10.359 44 HD21 ASN 10 1HD2 ASN 10 -5.649 -24.602 -12.497 45 HD22 ASN 10 2HD2 ASN 10 -5.860 -26.310 -12.345 46 H ARG 11 H ARG 11 -9.972 -21.692 -10.651 47 HA ARG 11 HA ARG 11 -9.308 -19.393 -12.371 48 HB2 ARG 11 1HB ARG 11 -11.329 -18.283 -11.443 49 HB3 ARG 11 2HB ARG 11 -11.698 -19.717 -12.391 50 HG2 ARG 11 1HG ARG 11 -12.436 -20.893 -10.587 51 HG3 ARG 11 2HG ARG 11 -11.380 -20.040 -9.460 52 HD2 ARG 11 1HD ARG 11 -12.842 -18.300 -9.194 53 HD3 ARG 11 2HD ARG 11 -13.539 -18.499 -10.801 54 HE ARG 11 HE ARG 11 -14.520 -19.609 -8.398 55 HH11 ARG 11 1HH1 ARG 11 -14.033 -20.382 -11.757 56 HH12 ARG 11 2HH1 ARG 11 -15.340 -21.518 -11.820 57 HH21 ARG 11 1HH2 ARG 11 -16.243 -21.102 -8.468 58 HH22 ARG 11 2HH2 ARG 11 -16.597 -21.926 -9.948 59 H ARG 12 H ARG 12 -7.581 -20.427 -10.387 60 HA ARG 12 HA ARG 12 -7.815 -19.100 -7.909 61 HB2 ARG 12 1HB ARG 12 -6.267 -21.071 -8.656 62 HB3 ARG 12 2HB ARG 12 -5.154 -19.785 -9.103 63 HG2 ARG 12 1HG ARG 12 -5.071 -18.986 -6.848 64 HG3 ARG 12 2HG ARG 12 -6.343 -20.107 -6.359 65 HD2 ARG 12 1HD ARG 12 -4.771 -21.960 -7.136 66 HD3 ARG 12 2HD ARG 12 -3.516 -20.721 -7.170 67 HE ARG 12 HE ARG 12 -4.595 -20.497 -4.684 68 HH11 ARG 12 1HH1 ARG 12 -3.230 -23.122 -6.518 69 HH12 ARG 12 2HH1 ARG 12 -2.643 -23.964 -5.122 70 HH21 ARG 12 1HH2 ARG 12 -3.826 -21.596 -2.839 71 HH22 ARG 12 2HH2 ARG 12 -2.983 -23.096 -3.030 72 HA PRO 13 HA PRO 13 -6.752 -14.960 -8.985 73 HB2 PRO 13 1HB PRO 13 -6.018 -14.082 -6.524 74 HB3 PRO 13 2HB PRO 13 -7.703 -14.362 -6.981 75 HG2 PRO 13 1HG PRO 13 -5.845 -16.120 -5.426 76 HG3 PRO 13 2HG PRO 13 -7.552 -15.749 -5.121 77 HD2 PRO 13 1HD PRO 13 -6.749 -18.053 -6.296 78 HD3 PRO 13 2HD PRO 13 -8.292 -17.267 -6.689 79 H LEU 14 H LEU 14 -4.959 -13.665 -9.368 80 HA LEU 14 HA LEU 14 -2.461 -14.987 -9.580 81 HB2 LEU 14 1HB LEU 14 -3.242 -12.097 -9.898 82 HB3 LEU 14 2HB LEU 14 -1.622 -12.709 -10.226 83 HG LEU 14 HG LEU 14 -4.066 -13.734 -11.652 84 HD11 LEU 14 1HD1 LEU 14 -2.244 -11.851 -13.014 85 HD12 LEU 14 2HD1 LEU 14 -3.356 -11.160 -11.832 86 HD13 LEU 14 3HD1 LEU 14 -3.983 -12.087 -13.195 87 HD21 LEU 14 3HD2 LEU 14 -2.005 -14.035 -13.341 88 HD22 LEU 14 1HD2 LEU 14 -2.482 -15.262 -12.168 89 HD23 LEU 14 2HD2 LEU 14 -1.148 -14.167 -11.805 90 H TRP 15 H TRP 15 -3.555 -12.295 -7.521 91 HA TRP 15 HA TRP 15 -1.110 -12.381 -5.977 92 HB2 TRP 15 1HB TRP 15 -3.582 -10.797 -5.296 93 HB3 TRP 15 2HB TRP 15 -1.911 -10.453 -4.860 94 HD1 TRP 15 HD TRP 15 -4.224 -10.414 -7.954 95 HE1 TRP 15 1HE TRP 15 -3.294 -8.692 -9.626 96 HE3 TRP 15 3HE TRP 15 0.093 -9.164 -5.516 97 HZ2 TRP 15 2HZ TRP 15 -1.030 -7.026 -9.879 98 HZ3 TRP 15 3HZ TRP 15 1.586 -7.498 -6.541 99 HH2 TRP 15 HH TRP 15 1.035 -6.453 -8.677 100 H GLU 16 H GLU 16 -1.732 -12.032 -3.428 101 HA GLU 16 HA GLU 16 -3.159 -14.503 -2.705 102 HB2 GLU 16 1HB GLU 16 -0.809 -13.091 -1.482 103 HB3 GLU 16 2HB GLU 16 -1.790 -14.189 -0.521 104 HG2 GLU 16 1HG GLU 16 -1.212 -16.038 -1.838 105 HG3 GLU 16 2HG GLU 16 -0.584 -15.023 -3.134 106 HA PRO 17 HA PRO 17 -6.203 -12.128 -0.595 107 HB2 PRO 17 1HB PRO 17 -7.063 -13.997 1.177 108 HB3 PRO 17 2HB PRO 17 -7.455 -14.054 -0.546 109 HG2 PRO 17 1HG PRO 17 -5.344 -15.543 0.966 110 HG3 PRO 17 2HG PRO 17 -6.447 -16.134 -0.291 111 HD2 PRO 17 1HD PRO 17 -3.867 -15.489 -0.801 112 HD3 PRO 17 2HD PRO 17 -5.160 -15.276 -1.999 113 H GLU 18 H GLU 18 -3.287 -12.997 0.731 114 HA GLU 18 HA GLU 18 -3.888 -12.121 3.442 115 HB2 GLU 18 1HB GLU 18 -2.309 -14.042 2.869 116 HB3 GLU 18 2HB GLU 18 -1.174 -12.814 2.328 117 HG2 GLU 18 1HG GLU 18 -1.363 -11.794 4.622 118 HG3 GLU 18 2HG GLU 18 -2.240 -13.246 5.101 119 H GLU 19 H GLU 19 -2.129 -11.031 0.589 120 HA GLU 19 HA GLU 19 -1.258 -8.604 1.929 121 HB2 GLU 19 1HB GLU 19 -0.769 -9.813 -0.772 122 HB3 GLU 19 2HB GLU 19 -0.401 -8.119 -0.484 123 HG2 GLU 19 1HG GLU 19 0.667 -10.251 1.321 124 HG3 GLU 19 2HG GLU 19 1.464 -9.860 -0.202 125 H THR 20 H THR 20 -2.047 -6.580 1.577 126 HA THR 20 HA THR 20 -4.725 -6.325 0.687 127 HB THR 20 HB THR 20 -2.688 -4.158 1.237 128 HG1 THR 20 1HG THR 20 -4.793 -4.973 2.947 129 HG21 THR 20 3HG2 THR 20 -5.482 -4.094 0.359 130 HG22 THR 20 1HG2 THR 20 -4.249 -2.834 0.306 131 HG23 THR 20 2HG2 THR 20 -5.157 -3.118 1.791 132 H VAL 21 H VAL 21 -5.173 -6.663 -1.412 133 HA VAL 21 HA VAL 21 -3.448 -5.474 -3.459 134 HB VAL 21 HB VAL 21 -5.663 -7.513 -3.644 135 HG11 VAL 21 1HG1 VAL 21 -4.541 -5.762 -5.688 136 HG12 VAL 21 2HG1 VAL 21 -4.434 -7.476 -6.097 137 HG13 VAL 21 3HG1 VAL 21 -5.999 -6.753 -5.720 138 HG21 VAL 21 3HG2 VAL 21 -2.681 -7.638 -4.054 139 HG22 VAL 21 1HG2 VAL 21 -3.636 -8.468 -2.826 140 HG23 VAL 21 2HG2 VAL 21 -3.788 -8.928 -4.521 141 H VAL 22 H VAL 22 -3.975 -3.602 -4.356 142 HA VAL 22 HA VAL 22 -6.801 -2.760 -4.305 143 HB VAL 22 HB VAL 22 -5.821 -0.404 -4.484 144 HG11 VAL 22 1HG1 VAL 22 -5.524 -2.075 -1.997 145 HG12 VAL 22 2HG1 VAL 22 -5.383 -0.316 -2.012 146 HG13 VAL 22 3HG1 VAL 22 -6.901 -1.084 -2.478 147 HG21 VAL 22 3HG2 VAL 22 -3.370 -1.689 -3.308 148 HG22 VAL 22 1HG2 VAL 22 -3.512 -1.318 -5.027 149 HG23 VAL 22 2HG2 VAL 22 -3.588 -0.020 -3.836 150 H ILE 23 H ILE 23 -7.661 -1.759 -6.127 151 HA ILE 23 HA ILE 23 -6.096 -2.147 -8.590 152 HB ILE 23 HB ILE 23 -9.098 -1.936 -8.395 153 HG12 ILE 23 1HG1 ILE 23 -8.736 -4.521 -8.964 154 HG13 ILE 23 2HG1 ILE 23 -7.264 -4.255 -8.035 155 HG21 ILE 23 1HG2 ILE 23 -8.781 -3.223 -10.633 156 HG22 ILE 23 2HG2 ILE 23 -8.546 -1.476 -10.588 157 HG23 ILE 23 3HG2 ILE 23 -7.151 -2.554 -10.573 158 HD11 ILE 23 3HD1 ILE 23 -8.886 -3.202 -6.296 159 HD12 ILE 23 1HD1 ILE 23 -10.107 -4.139 -7.156 160 HD13 ILE 23 2HD1 ILE 23 -8.728 -4.954 -6.416 161 H ALA 24 H ALA 24 -6.225 -0.578 -10.251 162 HA ALA 24 HA ALA 24 -6.723 2.124 -9.232 163 HB1 ALA 24 3HB ALA 24 -4.495 1.466 -10.236 164 HB2 ALA 24 1HB ALA 24 -5.320 1.413 -11.794 165 HB3 ALA 24 2HB ALA 24 -5.244 2.924 -10.887 166 H LEU 25 H LEU 25 -8.556 3.100 -9.754 167 HA LEU 25 HA LEU 25 -10.412 2.068 -11.607 168 HB2 LEU 25 1HB LEU 25 -10.263 4.852 -10.461 169 HB3 LEU 25 2HB LEU 25 -11.673 4.111 -11.215 170 HG LEU 25 HG LEU 25 -10.477 2.814 -8.810 171 HD11 LEU 25 1HD1 LEU 25 -12.358 5.165 -8.678 172 HD12 LEU 25 2HD1 LEU 25 -10.646 5.217 -8.260 173 HD13 LEU 25 3HD1 LEU 25 -11.752 4.214 -7.322 174 HD21 LEU 25 3HD2 LEU 25 -12.574 2.196 -10.405 175 HD22 LEU 25 1HD2 LEU 25 -13.378 3.146 -9.155 176 HD23 LEU 25 2HD2 LEU 25 -12.440 1.720 -8.712 177 H TYR 26 H TYR 26 -7.938 4.547 -11.849 178 HA TYR 26 HA TYR 26 -8.436 4.665 -14.745 179 HB2 TYR 26 1HB TYR 26 -7.506 7.090 -13.238 180 HB3 TYR 26 2HB TYR 26 -8.258 6.996 -14.827 181 HD1 TYR 26 1HD TYR 26 -10.686 6.703 -15.037 182 HD2 TYR 26 2HD TYR 26 -8.835 7.139 -11.231 183 HE1 TYR 26 1HE TYR 26 -12.878 7.185 -14.033 184 HE2 TYR 26 2HE TYR 26 -11.023 7.622 -10.216 185 HH TYR 26 HH TYR 26 -13.435 7.146 -10.728 186 H ASP 27 H ASP 27 -6.531 5.523 -15.957 187 HA ASP 27 HA ASP 27 -4.127 4.238 -14.958 188 HB2 ASP 27 1HB ASP 27 -4.582 3.727 -17.220 189 HB3 ASP 27 2HB ASP 27 -4.915 5.410 -17.619 190 H TYR 28 H TYR 28 -3.179 5.503 -13.434 191 HA TYR 28 HA TYR 28 -2.993 8.332 -13.607 192 HB2 TYR 28 1HB TYR 28 -2.909 7.124 -11.463 193 HB3 TYR 28 2HB TYR 28 -1.375 6.399 -11.932 194 HD1 TYR 28 2HD TYR 28 -2.914 9.794 -11.616 195 HD2 TYR 28 1HD TYR 28 0.551 7.374 -11.124 196 HE1 TYR 28 2HE TYR 28 -1.718 11.714 -10.650 197 HE2 TYR 28 1HE TYR 28 1.757 9.287 -10.156 198 HH TYR 28 HH TYR 28 0.724 11.639 -8.845 199 H GLN 29 H GLN 29 -1.388 9.637 -14.340 200 HA GLN 29 HA GLN 29 0.931 8.331 -15.604 201 HB2 GLN 29 1HB GLN 29 -0.941 10.399 -16.649 202 HB3 GLN 29 2HB GLN 29 0.753 10.519 -17.107 203 HG2 GLN 29 1HG GLN 29 0.706 8.350 -18.107 204 HG3 GLN 29 2HG GLN 29 -0.917 8.049 -17.491 205 HE21 GLN 29 1HE2 GLN 29 -2.367 8.139 -19.034 206 HE22 GLN 29 2HE2 GLN 29 -2.376 9.236 -20.369 207 H THR 30 H THR 30 2.893 9.121 -15.116 208 HA THR 30 HA THR 30 3.203 11.801 -14.051 209 HB THR 30 HB THR 30 2.664 10.502 -12.034 210 HG1 THR 30 1HG THR 30 4.498 12.181 -12.244 211 HG21 THR 30 3HG2 THR 30 3.864 8.403 -13.160 212 HG22 THR 30 1HG2 THR 30 3.691 8.563 -11.412 213 HG23 THR 30 2HG2 THR 30 5.215 8.992 -12.191 214 H ASN 31 H ASN 31 5.121 12.656 -14.607 215 HA ASN 31 HA ASN 31 7.046 10.892 -15.937 216 HB2 ASN 31 1HB ASN 31 6.790 13.908 -15.998 217 HB3 ASN 31 2HB ASN 31 7.960 12.966 -16.917 218 HD21 ASN 31 1HD2 ASN 31 7.405 12.301 -18.873 219 HD22 ASN 31 2HD2 ASN 31 5.806 12.321 -19.525 220 H ASP 32 H ASP 32 7.047 10.724 -13.178 221 HA ASP 32 HA ASP 32 9.629 11.979 -12.526 222 HB2 ASP 32 1HB ASP 32 7.111 11.887 -10.915 223 HB3 ASP 32 2HB ASP 32 8.660 11.833 -10.077 224 HA PRO 33 HA PRO 33 11.046 7.939 -11.552 225 HB2 PRO 33 1HB PRO 33 12.909 8.508 -9.661 226 HB3 PRO 33 2HB PRO 33 13.144 8.859 -11.378 227 HG2 PRO 33 1HG PRO 33 12.299 10.692 -9.167 228 HG3 PRO 33 2HG PRO 33 13.452 10.983 -10.483 229 HD2 PRO 33 1HD PRO 33 10.908 11.909 -10.544 230 HD3 PRO 33 2HD PRO 33 11.786 11.433 -12.011 231 H GLN 34 H GLN 34 10.534 9.969 -8.663 232 HA GLN 34 HA GLN 34 10.172 7.823 -6.872 233 HB2 GLN 34 1HB GLN 34 9.160 9.536 -5.377 234 HB3 GLN 34 2HB GLN 34 10.721 10.011 -6.032 235 HG2 GLN 34 1HG GLN 34 9.329 11.213 -7.845 236 HG3 GLN 34 2HG GLN 34 8.001 11.050 -6.697 237 HE21 GLN 34 1HE2 GLN 34 7.874 13.292 -6.461 238 HE22 GLN 34 2HE2 GLN 34 9.037 14.179 -5.542 239 H GLU 35 H GLU 35 7.857 9.809 -8.683 240 HA GLU 35 HA GLU 35 5.562 8.472 -7.628 241 HB2 GLU 35 1HB GLU 35 6.058 10.476 -9.787 242 HB3 GLU 35 2HB GLU 35 4.522 9.621 -9.767 243 HG2 GLU 35 1HG GLU 35 3.987 11.460 -8.537 244 HG3 GLU 35 2HG GLU 35 4.495 10.361 -7.256 245 H LEU 36 H LEU 36 4.339 6.851 -8.499 246 HA LEU 36 HA LEU 36 5.572 5.376 -10.722 247 HB2 LEU 36 1HB LEU 36 5.440 4.083 -8.713 248 HB3 LEU 36 2HB LEU 36 3.739 4.494 -8.502 249 HG LEU 36 HG LEU 36 3.554 3.252 -10.850 250 HD11 LEU 36 1HD1 LEU 36 5.597 2.474 -11.408 251 HD12 LEU 36 2HD1 LEU 36 5.146 1.156 -10.326 252 HD13 LEU 36 3HD1 LEU 36 6.172 2.466 -9.740 253 HD21 LEU 36 3HD2 LEU 36 2.206 2.508 -9.114 254 HD22 LEU 36 1HD2 LEU 36 3.579 2.157 -8.063 255 HD23 LEU 36 2HD2 LEU 36 3.232 1.111 -9.440 256 H ALA 37 H ALA 37 4.325 4.614 -12.436 257 HA ALA 37 HA ALA 37 1.883 6.145 -12.912 258 HB1 ALA 37 3HB ALA 37 3.045 4.363 -14.988 259 HB2 ALA 37 1HB ALA 37 2.287 5.948 -15.150 260 HB3 ALA 37 2HB ALA 37 3.937 5.816 -14.539 261 H LEU 38 H LEU 38 0.161 5.162 -12.009 262 HA LEU 38 HA LEU 38 -0.134 2.334 -11.834 263 HB2 LEU 38 1HB LEU 38 -2.136 4.560 -11.482 264 HB3 LEU 38 2HB LEU 38 -2.442 2.867 -11.100 265 HG LEU 38 HG LEU 38 -0.412 4.646 -9.749 266 HD11 LEU 38 1HD1 LEU 38 -2.432 5.377 -8.914 267 HD12 LEU 38 2HD1 LEU 38 -2.020 4.088 -7.783 268 HD13 LEU 38 3HD1 LEU 38 -3.192 3.793 -9.067 269 HD21 LEU 38 3HD2 LEU 38 -0.085 2.794 -8.219 270 HD22 LEU 38 1HD2 LEU 38 0.283 2.291 -9.868 271 HD23 LEU 38 2HD2 LEU 38 -1.242 1.814 -9.121 272 H ARG 39 H ARG 39 -1.457 0.954 -12.995 273 HA ARG 39 HA ARG 39 -2.217 1.933 -15.656 274 HB2 ARG 39 1HB ARG 39 -0.638 0.028 -15.539 275 HB3 ARG 39 2HB ARG 39 -1.859 -0.910 -14.689 276 HG2 ARG 39 1HG ARG 39 -1.895 -1.598 -16.953 277 HG3 ARG 39 2HG ARG 39 -3.340 -0.619 -16.689 278 HD2 ARG 39 1HD ARG 39 -2.610 0.294 -18.650 279 HD3 ARG 39 2HD ARG 39 -1.746 1.320 -17.505 280 HE ARG 39 HE ARG 39 -0.106 -0.851 -18.077 281 HH11 ARG 39 1HH1 ARG 39 -1.512 1.863 -19.743 282 HH12 ARG 39 2HH1 ARG 39 -0.225 1.988 -20.897 283 HH21 ARG 39 1HH2 ARG 39 1.594 -0.697 -19.590 284 HH22 ARG 39 2HH2 ARG 39 1.540 0.530 -20.810 285 H ARG 40 H ARG 40 -4.256 1.575 -16.511 286 HA ARG 40 HA ARG 40 -6.406 1.569 -14.661 287 HB2 ARG 40 1HB ARG 40 -6.471 2.761 -16.827 288 HB3 ARG 40 2HB ARG 40 -6.480 1.213 -17.662 289 HG2 ARG 40 1HG ARG 40 -8.641 0.705 -16.952 290 HG3 ARG 40 2HG ARG 40 -8.597 1.908 -15.661 291 HD2 ARG 40 1HD ARG 40 -9.871 3.035 -17.180 292 HD3 ARG 40 2HD ARG 40 -8.269 3.557 -17.700 293 HE ARG 40 HE ARG 40 -8.999 1.206 -19.073 294 HH11 ARG 40 1HH1 ARG 40 -9.753 4.601 -18.913 295 HH12 ARG 40 2HH1 ARG 40 -10.252 4.702 -20.569 296 HH21 ARG 40 1HH2 ARG 40 -9.654 1.326 -21.255 297 HH22 ARG 40 2HH2 ARG 40 -10.196 2.838 -21.900 298 H ASN 41 H ASN 41 -7.796 -0.010 -14.049 299 HA ASN 41 HA ASN 41 -8.546 -2.111 -13.599 300 HB2 ASN 41 1HB ASN 41 -8.124 -2.096 -16.546 301 HB3 ASN 41 2HB ASN 41 -8.413 -3.654 -15.777 302 HD21 ASN 41 1HD2 ASN 41 -10.151 -2.593 -17.629 303 HD22 ASN 41 2HD2 ASN 41 -11.637 -2.184 -16.847 304 H GLU 42 H GLU 42 -6.103 -1.795 -12.609 305 HA GLU 42 HA GLU 42 -4.903 -4.434 -12.987 306 HB2 GLU 42 1HB GLU 42 -3.512 -1.804 -13.347 307 HB3 GLU 42 2HB GLU 42 -2.617 -3.188 -12.735 308 HG2 GLU 42 1HG GLU 42 -4.227 -3.458 -15.230 309 HG3 GLU 42 2HG GLU 42 -2.653 -2.667 -15.281 310 H GLU 43 H GLU 43 -4.314 -5.377 -11.122 311 HA GLU 43 HA GLU 43 -4.942 -4.056 -8.653 312 HB2 GLU 43 1HB GLU 43 -3.983 -6.797 -9.402 313 HB3 GLU 43 2HB GLU 43 -3.955 -6.283 -7.721 314 HG2 GLU 43 1HG GLU 43 -6.282 -6.075 -7.624 315 HG3 GLU 43 2HG GLU 43 -6.442 -6.095 -9.379 316 H TYR 44 H TYR 44 -3.455 -3.950 -6.820 317 HA TYR 44 HA TYR 44 -0.619 -3.996 -7.354 318 HB2 TYR 44 1HB TYR 44 -2.099 -1.403 -6.927 319 HB3 TYR 44 2HB TYR 44 -0.378 -1.569 -6.602 320 HD1 TYR 44 1HD TYR 44 -2.952 -1.512 -9.219 321 HD2 TYR 44 2HD TYR 44 1.216 -1.758 -8.405 322 HE1 TYR 44 1HE TYR 44 -2.469 -1.061 -11.588 323 HE2 TYR 44 2HE TYR 44 1.711 -1.306 -10.771 324 HH TYR 44 HH TYR 44 0.469 -0.116 -12.717 325 H CYS 45 H CYS 45 0.371 -4.679 -5.578 326 HA CYS 45 HA CYS 45 -1.038 -5.021 -3.130 327 HB2 CYS 45 1HB CYS 45 0.791 -6.243 -2.413 328 HB3 CYS 45 2HB CYS 45 0.948 -6.390 -4.160 329 HG CYS 45 HG CYS 45 3.195 -5.441 -2.091 330 H LEU 46 H LEU 46 -0.995 -3.867 -1.274 331 HA LEU 46 HA LEU 46 0.068 -1.184 -1.405 332 HB2 LEU 46 1HB LEU 46 -2.139 -1.550 -0.475 333 HB3 LEU 46 2HB LEU 46 -1.469 -2.629 0.747 334 HG LEU 46 HG LEU 46 -0.253 -0.710 1.724 335 HD11 LEU 46 1HD1 LEU 46 -0.105 0.650 -0.313 336 HD12 LEU 46 2HD1 LEU 46 -0.802 1.549 1.034 337 HD13 LEU 46 3HD1 LEU 46 -1.845 0.928 -0.245 338 HD21 LEU 46 3HD2 LEU 46 -2.460 0.548 2.376 339 HD22 LEU 46 1HD2 LEU 46 -2.183 -1.114 2.897 340 HD23 LEU 46 2HD2 LEU 46 -3.226 -0.787 1.513 341 H LEU 47 H LEU 47 2.056 -0.679 -0.797 342 HA LEU 47 HA LEU 47 3.616 -2.508 0.818 343 HB2 LEU 47 1HB LEU 47 4.314 0.133 -0.456 344 HB3 LEU 47 2HB LEU 47 5.455 -0.900 0.403 345 HG LEU 47 HG LEU 47 3.996 -1.644 -2.132 346 HD11 LEU 47 1HD1 LEU 47 6.924 -1.349 -2.095 347 HD12 LEU 47 2HD1 LEU 47 6.001 0.148 -1.969 348 HD13 LEU 47 3HD1 LEU 47 5.752 -0.929 -3.344 349 HD21 LEU 47 3HD2 LEU 47 6.259 -3.246 -1.698 350 HD22 LEU 47 1HD2 LEU 47 4.564 -3.730 -1.635 351 HD23 LEU 47 2HD2 LEU 47 5.385 -3.202 -0.166 352 H ASP 48 H ASP 48 2.951 0.995 0.996 353 HA ASP 48 HA ASP 48 2.495 0.789 3.851 354 HB2 ASP 48 1HB ASP 48 4.994 1.051 3.531 355 HB3 ASP 48 2HB ASP 48 4.660 2.642 2.852 356 H SER 49 H SER 49 1.023 2.234 4.518 357 HA SER 49 HA SER 49 0.156 4.262 2.582 358 HB2 SER 49 1HB SER 49 -1.973 4.263 3.748 359 HB3 SER 49 2HB SER 49 -1.523 2.599 3.372 360 HG SER 49 HG SER 49 -1.483 3.933 5.854 361 H SER 50 H SER 50 2.476 4.602 4.322 362 HA SER 50 HA SER 50 2.315 5.975 6.602 363 HB2 SER 50 1HB SER 50 4.151 7.487 5.743 364 HB3 SER 50 2HB SER 50 4.444 5.762 5.525 365 HG SER 50 HG SER 50 3.834 5.974 3.366 366 H GLU 51 H GLU 51 1.543 7.372 3.432 367 HA GLU 51 HA GLU 51 0.464 9.749 4.768 368 HB2 GLU 51 1HB GLU 51 1.464 9.171 2.020 369 HB3 GLU 51 2HB GLU 51 0.234 10.414 2.207 370 HG2 GLU 51 1HG GLU 51 3.012 10.348 3.321 371 HG3 GLU 51 2HG GLU 51 2.268 11.556 2.277 372 H ILE 52 H ILE 52 -1.577 10.652 3.828 373 HA ILE 52 HA ILE 52 -3.553 8.523 3.679 374 HB ILE 52 HB ILE 52 -3.938 11.514 3.846 375 HG12 ILE 52 1HG1 ILE 52 -4.476 9.534 6.042 376 HG13 ILE 52 2HG1 ILE 52 -2.863 10.201 5.813 377 HG21 ILE 52 1HG2 ILE 52 -6.249 10.504 4.729 378 HG22 ILE 52 2HG2 ILE 52 -5.964 10.907 3.036 379 HG23 ILE 52 3HG2 ILE 52 -5.806 9.238 3.583 380 HD11 ILE 52 3HD1 ILE 52 -3.445 11.977 6.982 381 HD12 ILE 52 1HD1 ILE 52 -4.689 12.357 5.791 382 HD13 ILE 52 2HD1 ILE 52 -5.075 11.330 7.172 383 H HIS 53 H HIS 53 -2.770 11.479 1.844 384 HA HIS 53 HA HIS 53 -4.490 10.806 -0.330 385 HB2 HIS 53 1HB HIS 53 -2.182 12.736 -0.479 386 HB3 HIS 53 2HB HIS 53 -3.696 12.773 -1.379 387 HD1 HIS 53 1HD HIS 53 -5.883 13.281 0.173 388 HD2 HIS 53 2HD HIS 53 -2.172 14.292 1.744 389 HE1 HIS 53 1HE HIS 53 -6.360 14.905 2.034 390 HE2 HIS 53 2HE HIS 53 -4.095 15.568 2.913 391 H TRP 54 H TRP 54 -0.970 10.696 0.141 392 HA TRP 54 HA TRP 54 -0.687 9.233 -2.376 393 HB2 TRP 54 1HB TRP 54 1.481 10.237 -0.521 394 HB3 TRP 54 2HB TRP 54 1.693 9.628 -2.160 395 HD1 TRP 54 HD TRP 54 1.296 12.782 -0.305 396 HE1 TRP 54 1HE TRP 54 0.836 14.736 -1.916 397 HE3 TRP 54 3HE TRP 54 0.227 10.114 -4.533 398 HZ2 TRP 54 2HZ TRP 54 0.114 15.098 -4.621 399 HZ3 TRP 54 3HZ TRP 54 -0.339 11.340 -6.590 400 HH2 TRP 54 HH TRP 54 -0.394 13.781 -6.631 401 H TRP 55 H TRP 55 -0.579 7.093 -2.399 402 HA TRP 55 HA TRP 55 0.211 5.704 0.078 403 HB2 TRP 55 1HB TRP 55 -1.953 5.171 -1.899 404 HB3 TRP 55 2HB TRP 55 -1.157 3.782 -1.164 405 HD1 TRP 55 HD TRP 55 -1.208 6.492 1.313 406 HE1 TRP 55 1HE TRP 55 -3.128 6.163 2.995 407 HE3 TRP 55 3HE TRP 55 -3.866 2.909 -1.183 408 HZ2 TRP 55 2HZ TRP 55 -5.461 4.591 3.232 409 HZ3 TRP 55 3HZ TRP 55 -5.930 2.045 -0.160 410 HH2 TRP 55 HH TRP 55 -6.710 2.870 2.002 411 H ARG 56 H ARG 56 1.696 4.072 -0.036 412 HA ARG 56 HA ARG 56 3.229 3.922 -2.509 413 HB2 ARG 56 1HB ARG 56 4.180 4.227 -0.102 414 HB3 ARG 56 2HB ARG 56 3.948 2.489 0.027 415 HG2 ARG 56 1HG ARG 56 5.444 2.091 -1.801 416 HG3 ARG 56 2HG ARG 56 5.567 3.820 -2.132 417 HD2 ARG 56 1HD ARG 56 6.901 4.214 -0.301 418 HD3 ARG 56 2HD ARG 56 6.288 2.813 0.578 419 HE ARG 56 HE ARG 56 7.618 1.743 -1.544 420 HH11 ARG 56 1HH1 ARG 56 8.452 3.968 1.000 421 HH12 ARG 56 2HH1 ARG 56 10.120 3.500 1.040 422 HH21 ARG 56 1HH2 ARG 56 9.812 1.118 -1.501 423 HH22 ARG 56 2HH2 ARG 56 10.893 1.880 -0.383 424 H VAL 57 H VAL 57 2.852 2.375 -3.938 425 HA VAL 57 HA VAL 57 1.958 -0.259 -2.970 426 HB VAL 57 HB VAL 57 0.493 -0.522 -4.857 427 HG11 VAL 57 1HG1 VAL 57 -0.124 2.231 -3.840 428 HG12 VAL 57 2HG1 VAL 57 -1.235 0.914 -4.222 429 HG13 VAL 57 3HG1 VAL 57 -0.214 0.821 -2.786 430 HG21 VAL 57 3HG2 VAL 57 1.982 0.884 -6.378 431 HG22 VAL 57 1HG2 VAL 57 0.239 1.019 -6.613 432 HG23 VAL 57 2HG2 VAL 57 1.113 2.282 -5.745 433 H GLN 58 H GLN 58 2.218 -1.947 -4.787 434 HA GLN 58 HA GLN 58 4.715 -1.448 -6.262 435 HB2 GLN 58 1HB GLN 58 4.766 -2.944 -4.081 436 HB3 GLN 58 2HB GLN 58 4.148 -4.172 -5.178 437 HG2 GLN 58 1HG GLN 58 6.088 -4.294 -6.365 438 HG3 GLN 58 2HG GLN 58 6.535 -2.624 -6.019 439 HE21 GLN 58 1HE2 GLN 58 8.018 -2.277 -4.517 440 HE22 GLN 58 2HE2 GLN 58 8.581 -3.437 -3.368 441 H ASP 59 H ASP 59 4.798 -2.192 -8.319 442 HA ASP 59 HA ASP 59 2.325 -3.077 -9.508 443 HB2 ASP 59 1HB ASP 59 3.811 -1.422 -10.616 444 HB3 ASP 59 2HB ASP 59 5.032 -2.678 -10.797 445 H ARG 60 H ARG 60 2.409 -4.887 -11.158 446 HA ARG 60 HA ARG 60 2.854 -7.316 -9.913 447 HB2 ARG 60 1HB ARG 60 1.389 -7.135 -11.827 448 HB3 ARG 60 2HB ARG 60 2.733 -6.674 -12.863 449 HG2 ARG 60 1HG ARG 60 2.502 -8.877 -13.418 450 HG3 ARG 60 2HG ARG 60 3.698 -8.993 -12.125 451 HD2 ARG 60 1HD ARG 60 1.799 -9.391 -10.535 452 HD3 ARG 60 2HD ARG 60 0.734 -9.496 -11.936 453 HE ARG 60 HE ARG 60 1.562 -11.588 -12.371 454 HH11 ARG 60 1HH1 ARG 60 3.633 -9.982 -10.080 455 HH12 ARG 60 2HH1 ARG 60 4.574 -11.397 -9.741 456 HH21 ARG 60 1HH2 ARG 60 2.794 -13.458 -11.934 457 HH22 ARG 60 2HH2 ARG 60 4.096 -13.373 -10.797 458 H ASN 61 H ASN 61 4.982 -5.485 -12.053 459 HA ASN 61 HA ASN 61 7.009 -7.531 -12.078 460 HB2 ASN 61 1HB ASN 61 6.697 -4.807 -13.249 461 HB3 ASN 61 2HB ASN 61 8.331 -5.434 -13.054 462 HD21 ASN 61 1HD2 ASN 61 5.605 -5.372 -14.995 463 HD22 ASN 61 2HD2 ASN 61 6.031 -6.648 -16.080 464 H GLY 62 H GLY 62 6.412 -4.513 -10.367 465 HA2 GLY 62 1HA GLY 62 7.445 -4.827 -8.002 466 HA3 GLY 62 2HA GLY 62 8.946 -4.823 -8.915 467 H HIS 63 H HIS 63 7.158 -2.834 -10.674 468 HA HIS 63 HA HIS 63 8.479 -0.497 -9.898 469 HB2 HIS 63 1HB HIS 63 5.829 -0.519 -11.335 470 HB3 HIS 63 2HB HIS 63 7.146 0.639 -11.497 471 HD1 HIS 63 1HD HIS 63 5.839 -1.026 -13.863 472 HD2 HIS 63 2HD HIS 63 9.429 -1.874 -11.953 473 HE1 HIS 63 1HE HIS 63 7.167 -2.392 -15.504 474 HE2 HIS 63 2HE HIS 63 9.301 -2.965 -14.295 475 H GLU 64 H GLU 64 8.261 0.551 -8.040 476 HA GLU 64 HA GLU 64 5.554 0.850 -6.912 477 HB2 GLU 64 1HB GLU 64 6.799 1.084 -4.685 478 HB3 GLU 64 2HB GLU 64 6.671 -0.527 -5.376 479 HG2 GLU 64 1HG GLU 64 8.873 -0.373 -4.634 480 HG3 GLU 64 2HG GLU 64 8.971 -0.112 -6.374 481 H GLY 65 H GLY 65 5.360 2.792 -5.454 482 HA2 GLY 65 1HA GLY 65 7.053 4.955 -5.389 483 HA3 GLY 65 2HA GLY 65 6.189 5.113 -6.911 484 H TYR 66 H TYR 66 5.401 7.126 -5.966 485 HA TYR 66 HA TYR 66 3.342 6.758 -3.909 486 HB2 TYR 66 1HB TYR 66 4.687 9.250 -4.966 487 HB3 TYR 66 2HB TYR 66 3.368 9.265 -3.800 488 HD1 TYR 66 1HD TYR 66 3.999 7.178 -1.932 489 HD2 TYR 66 2HD TYR 66 6.637 9.876 -3.899 490 HE1 TYR 66 1HE TYR 66 5.616 6.927 -0.096 491 HE2 TYR 66 2HE TYR 66 8.261 9.631 -2.069 492 HH TYR 66 HH TYR 66 8.609 8.815 -0.012 493 H VAL 67 H VAL 67 1.246 6.844 -4.395 494 HA VAL 67 HA VAL 67 0.379 8.195 -6.844 495 HB VAL 67 HB VAL 67 -1.167 6.257 -7.326 496 HG11 VAL 67 1HG1 VAL 67 0.491 6.376 -8.890 497 HG12 VAL 67 2HG1 VAL 67 1.782 6.247 -7.694 498 HG13 VAL 67 3HG1 VAL 67 0.878 4.811 -8.176 499 HG21 VAL 67 3HG2 VAL 67 0.235 5.212 -4.994 500 HG22 VAL 67 1HG2 VAL 67 -1.287 4.702 -5.724 501 HG23 VAL 67 2HG2 VAL 67 0.242 4.100 -6.362 502 HA PRO 68 HA PRO 68 -2.959 9.616 -4.369 503 HB2 PRO 68 1HB PRO 68 -4.903 9.903 -6.243 504 HB3 PRO 68 2HB PRO 68 -3.513 10.989 -6.126 505 HG2 PRO 68 1HG PRO 68 -3.956 8.672 -7.969 506 HG3 PRO 68 2HG PRO 68 -3.284 10.273 -8.327 507 HD2 PRO 68 1HD PRO 68 -1.728 8.087 -7.967 508 HD3 PRO 68 2HD PRO 68 -1.201 9.720 -7.511 509 H SER 69 H SER 69 -3.829 8.224 -2.949 510 HA SER 69 HA SER 69 -4.703 5.676 -3.286 511 HB2 SER 69 1HB SER 69 -5.991 5.918 -1.260 512 HB3 SER 69 2HB SER 69 -4.540 6.909 -1.106 513 HG SER 69 HG SER 69 -5.847 8.712 -1.742 514 H SER 70 H SER 70 -6.526 8.622 -3.932 515 HA SER 70 HA SER 70 -9.074 7.796 -4.251 516 HB2 SER 70 1HB SER 70 -7.588 9.522 -6.246 517 HB3 SER 70 2HB SER 70 -9.336 9.471 -6.020 518 HG SER 70 HG SER 70 -8.707 10.034 -3.717 519 H TYR 71 H TYR 71 -6.489 7.338 -6.641 520 HA TYR 71 HA TYR 71 -8.097 6.013 -8.553 521 HB2 TYR 71 1HB TYR 71 -5.131 6.184 -8.091 522 HB3 TYR 71 2HB TYR 71 -5.792 5.150 -9.352 523 HD1 TYR 71 1HD TYR 71 -6.651 8.596 -8.178 524 HD2 TYR 71 2HD TYR 71 -5.442 6.116 -11.417 525 HE1 TYR 71 1HE TYR 71 -6.766 10.529 -9.694 526 HE2 TYR 71 2HE TYR 71 -5.552 8.043 -12.941 527 HH TYR 71 HH TYR 71 -6.175 11.294 -11.751 528 H LEU 72 H LEU 72 -6.034 4.848 -5.927 529 HA LEU 72 HA LEU 72 -6.344 2.089 -6.525 530 HB2 LEU 72 1HB LEU 72 -5.638 3.412 -3.910 531 HB3 LEU 72 2HB LEU 72 -5.419 1.707 -4.297 532 HG LEU 72 HG LEU 72 -3.970 4.021 -5.583 533 HD11 LEU 72 1HD1 LEU 72 -1.996 2.883 -4.486 534 HD12 LEU 72 2HD1 LEU 72 -3.168 1.976 -3.531 535 HD13 LEU 72 3HD1 LEU 72 -3.104 3.734 -3.409 536 HD21 LEU 72 3HD2 LEU 72 -2.612 1.757 -6.244 537 HD22 LEU 72 1HD2 LEU 72 -3.767 2.582 -7.291 538 HD23 LEU 72 2HD2 LEU 72 -4.285 1.202 -6.322 539 H VAL 73 H VAL 73 -7.654 0.535 -5.560 540 HA VAL 73 HA VAL 73 -9.749 1.406 -3.730 541 HB VAL 73 HB VAL 73 -11.579 0.798 -5.032 542 HG11 VAL 73 1HG1 VAL 73 -10.350 2.869 -5.814 543 HG12 VAL 73 2HG1 VAL 73 -9.744 1.888 -7.150 544 HG13 VAL 73 3HG1 VAL 73 -11.478 2.152 -6.964 545 HG21 VAL 73 3HG2 VAL 73 -11.010 -1.325 -5.847 546 HG22 VAL 73 1HG2 VAL 73 -11.238 -0.345 -7.295 547 HG23 VAL 73 2HG2 VAL 73 -9.610 -0.710 -6.726 548 H GLU 74 H GLU 74 -10.246 -0.123 -2.276 549 HA GLU 74 HA GLU 74 -8.749 -2.513 -2.139 550 HB2 GLU 74 1HB GLU 74 -9.966 -1.098 -0.277 551 HB3 GLU 74 2HB GLU 74 -11.298 -2.195 -0.611 552 HG2 GLU 74 1HG GLU 74 -9.464 -4.033 -0.305 553 HG3 GLU 74 2HG GLU 74 -8.631 -2.758 0.582 554 H LYS 75 H LYS 75 -9.024 -4.277 -3.316 555 HA LYS 75 HA LYS 75 -10.903 -4.892 -5.134 556 HB2 LYS 75 1HB LYS 75 -8.879 -6.253 -4.635 557 HB3 LYS 75 2HB LYS 75 -9.715 -6.932 -3.244 558 HG2 LYS 75 1HG LYS 75 -9.982 -8.548 -4.883 559 HG3 LYS 75 2HG LYS 75 -11.507 -7.661 -4.933 560 HD2 LYS 75 1HD LYS 75 -10.837 -6.464 -6.881 561 HD3 LYS 75 2HD LYS 75 -9.179 -7.055 -6.747 562 HE2 LYS 75 1HE LYS 75 -10.017 -8.434 -8.387 563 HE3 LYS 75 2HE LYS 75 -10.308 -9.402 -6.942 564 HZ1 LYS 75 3HZ LYS 75 -12.457 -7.599 -7.627 565 HZ2 LYS 75 1HZ LYS 75 -12.512 -9.230 -7.178 566 HZ3 LYS 75 2HZ LYS 75 -12.172 -8.804 -8.779 567 H SER 76 H SER 76 -13.042 -4.697 -4.946 568 HA SER 76 HA SER 76 -14.363 -5.627 -2.503 569 HB2 SER 76 1HB SER 76 -16.272 -4.338 -3.203 570 HB3 SER 76 2HB SER 76 -14.841 -3.328 -3.404 571 HG SER 76 HG SER 76 -16.364 -3.361 -5.212 572 HA PRO 77 HA PRO 77 -15.932 -9.280 -4.375 573 HB2 PRO 77 1HB PRO 77 -18.224 -9.595 -2.954 574 HB3 PRO 77 2HB PRO 77 -16.622 -9.895 -2.271 575 HG2 PRO 77 1HG PRO 77 -18.376 -7.484 -1.999 576 HG3 PRO 77 2HG PRO 77 -17.418 -8.316 -0.761 577 HD2 PRO 77 1HD PRO 77 -16.585 -6.034 -1.959 578 HD3 PRO 77 2HD PRO 77 -15.458 -7.291 -1.410 579 H ASN 78 H ASN 78 -17.283 -6.283 -4.844 580 HA ASN 78 HA ASN 78 -19.798 -6.507 -5.795 581 HB2 ASN 78 1HB ASN 78 -19.244 -4.766 -7.463 582 HB3 ASN 78 2HB ASN 78 -18.563 -4.409 -5.878 583 HD21 ASN 78 1HD2 ASN 78 -17.783 -3.543 -8.588 584 HD22 ASN 78 2HD2 ASN 78 -16.117 -3.972 -8.744 585 H ASN 79 H ASN 79 -20.850 -7.231 -7.614 586 HA ASN 79 HA ASN 79 -20.075 -9.552 -8.834 587 HB2 ASN 79 1HB ASN 79 -21.702 -8.903 -10.679 588 HB3 ASN 79 2HB ASN 79 -22.344 -8.880 -9.039 589 HD21 ASN 79 1HD2 ASN 79 -23.389 -7.129 -8.425 590 HD22 ASN 79 2HD2 ASN 79 -23.310 -5.582 -9.190 591 H LEU 80 H LEU 80 -18.215 -9.893 -9.868 592 HA LEU 80 HA LEU 80 -17.614 -8.265 -12.214 593 HB2 LEU 80 1HB LEU 80 -16.352 -7.374 -10.218 594 HB3 LEU 80 2HB LEU 80 -15.486 -8.908 -10.185 595 HG LEU 80 HG LEU 80 -14.712 -8.400 -12.525 596 HD11 LEU 80 1HD1 LEU 80 -16.553 -6.264 -12.226 597 HD12 LEU 80 2HD1 LEU 80 -15.559 -6.674 -13.623 598 HD13 LEU 80 3HD1 LEU 80 -14.937 -5.577 -12.390 599 HD21 LEU 80 3HD2 LEU 80 -13.195 -6.446 -11.632 600 HD22 LEU 80 1HD2 LEU 80 -13.036 -8.084 -10.999 601 HD23 LEU 80 2HD2 LEU 80 -13.940 -6.872 -10.090 602 H GLU 81 H GLU 81 -16.396 -9.331 -13.797 603 HA GLU 81 HA GLU 81 -16.468 -12.234 -13.573 604 HB2 GLU 81 1HB GLU 81 -15.991 -10.374 -15.902 605 HB3 GLU 81 2HB GLU 81 -15.868 -12.123 -16.028 606 HG2 GLU 81 1HG GLU 81 -18.282 -12.041 -14.997 607 HG3 GLU 81 2HG GLU 81 -18.268 -10.409 -15.663 608 H THR 82 H THR 82 -14.717 -12.607 -12.183 609 HA THR 82 HA THR 82 -12.062 -11.812 -13.133 610 HB THR 82 HB THR 82 -11.496 -13.059 -10.831 611 HG1 THR 82 1HG THR 82 -13.363 -13.562 -9.931 612 HG21 THR 82 3HG2 THR 82 -10.747 -10.963 -10.613 613 HG22 THR 82 1HG2 THR 82 -12.316 -10.579 -9.907 614 HG23 THR 82 2HG2 THR 82 -12.035 -10.318 -11.629 615 H TYR 83 H TYR 83 -14.076 -14.233 -13.775 616 HA TYR 83 HA TYR 83 -12.779 -16.622 -13.255 617 HB2 TYR 83 1HB TYR 83 -14.566 -15.722 -15.494 618 HB3 TYR 83 2HB TYR 83 -13.866 -17.337 -15.508 619 HD1 TYR 83 2HD TYR 83 -16.043 -15.052 -13.566 620 HD2 TYR 83 1HD TYR 83 -14.777 -19.067 -14.184 621 HE1 TYR 83 2HE TYR 83 -17.854 -15.842 -12.101 622 HE2 TYR 83 1HE TYR 83 -16.585 -19.868 -12.721 623 HH TYR 83 HH TYR 83 -18.562 -17.665 -10.868 624 H GLU 84 H GLU 84 -11.709 -18.039 -14.943 625 HA GLU 84 HA GLU 84 -9.859 -16.489 -16.622 626 HB2 GLU 84 1HB GLU 84 -8.901 -17.335 -14.372 627 HB3 GLU 84 2HB GLU 84 -8.952 -18.926 -15.116 628 HG2 GLU 84 1HG GLU 84 -7.631 -17.803 -17.035 629 HG3 GLU 84 2HG GLU 84 -7.283 -16.558 -15.837 630 H TRP 85 H TRP 85 -10.648 -17.023 -18.586 631 HA TRP 85 HA TRP 85 -11.850 -19.373 -19.379 632 HB2 TRP 85 1HB TRP 85 -10.069 -17.645 -21.110 633 HB3 TRP 85 2HB TRP 85 -11.345 -18.726 -21.664 634 HD1 TRP 85 HD TRP 85 -10.785 -15.200 -21.109 635 HE1 TRP 85 1HE TRP 85 -12.996 -13.915 -20.815 636 HE3 TRP 85 3HE TRP 85 -13.919 -19.155 -20.287 637 HZ2 TRP 85 2HZ TRP 85 -15.709 -14.501 -20.302 638 HZ3 TRP 85 3HZ TRP 85 -16.308 -18.706 -19.903 639 HH2 TRP 85 HH TRP 85 -17.182 -16.427 -19.910 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -11.272 -38.437 -24.283 2 HA2 GLY 1 1HA GLY 1 -9.264 -38.254 -26.363 3 HA3 GLY 1 2HA GLY 1 -10.597 -37.122 -26.535 4 H SER 2 H SER 2 -9.945 -35.176 -25.914 5 HA SER 2 HA SER 2 -8.215 -34.967 -23.541 6 HB2 SER 2 1HB SER 2 -7.163 -34.052 -25.528 7 HB3 SER 2 2HB SER 2 -8.582 -33.060 -25.864 8 HG SER 2 HG SER 2 -6.492 -32.564 -24.219 9 H SER 3 H SER 3 -9.747 -34.899 -21.934 10 HA SER 3 HA SER 3 -11.941 -32.998 -22.119 11 HB2 SER 3 1HB SER 3 -11.209 -34.900 -19.879 12 HB3 SER 3 2HB SER 3 -12.706 -33.977 -20.010 13 HG SER 3 HG SER 3 -12.324 -36.357 -20.914 14 H GLY 4 H GLY 4 -10.706 -31.055 -22.115 15 HA2 GLY 4 1HA GLY 4 -10.607 -29.361 -20.205 16 HA3 GLY 4 2HA GLY 4 -9.384 -30.441 -19.551 17 H SER 5 H SER 5 -10.046 -29.064 -22.774 18 HA SER 5 HA SER 5 -7.410 -28.906 -23.612 19 HB2 SER 5 1HB SER 5 -9.805 -27.215 -24.343 20 HB3 SER 5 2HB SER 5 -8.249 -27.080 -25.162 21 HG SER 5 HG SER 5 -8.534 -29.002 -26.066 22 H SER 6 H SER 6 -9.374 -26.363 -22.080 23 HA SER 6 HA SER 6 -6.866 -24.976 -21.389 24 HB2 SER 6 1HB SER 6 -9.583 -23.704 -21.789 25 HB3 SER 6 2HB SER 6 -8.059 -22.868 -21.494 26 HG SER 6 HG SER 6 -9.088 -23.561 -23.816 27 H GLY 7 H GLY 7 -6.420 -25.321 -19.313 28 HA2 GLY 7 1HA GLY 7 -8.468 -25.941 -17.390 29 HA3 GLY 7 2HA GLY 7 -6.748 -25.780 -17.069 30 H GLU 8 H GLU 8 -8.791 -24.796 -15.383 31 HA GLU 8 HA GLU 8 -8.974 -21.941 -15.828 32 HB2 GLU 8 1HB GLU 8 -10.726 -23.543 -14.712 33 HB3 GLU 8 2HB GLU 8 -9.766 -23.269 -13.264 34 HG2 GLU 8 1HG GLU 8 -10.288 -21.011 -13.190 35 HG3 GLU 8 2HG GLU 8 -10.766 -20.966 -14.886 36 H ASP 9 H ASP 9 -7.560 -24.071 -13.350 37 HA ASP 9 HA ASP 9 -5.798 -21.845 -12.564 38 HB2 ASP 9 1HB ASP 9 -7.015 -22.429 -10.647 39 HB3 ASP 9 2HB ASP 9 -6.945 -24.150 -11.014 40 H ASN 10 H ASN 10 -3.723 -22.013 -13.075 41 HA ASN 10 HA ASN 10 -2.648 -24.682 -13.705 42 HB2 ASN 10 1HB ASN 10 -0.890 -23.223 -14.976 43 HB3 ASN 10 2HB ASN 10 -2.469 -23.509 -15.702 44 HD21 ASN 10 1HD2 ASN 10 -0.237 -21.231 -15.248 45 HD22 ASN 10 2HD2 ASN 10 -1.227 -19.815 -15.224 46 H ARG 11 H ARG 11 -1.741 -21.510 -12.371 47 HA ARG 11 HA ARG 11 0.091 -22.898 -10.542 48 HB2 ARG 11 1HB ARG 11 0.694 -20.567 -12.335 49 HB3 ARG 11 2HB ARG 11 1.563 -20.771 -10.820 50 HG2 ARG 11 1HG ARG 11 1.989 -23.182 -11.717 51 HG3 ARG 11 2HG ARG 11 1.624 -22.449 -13.280 52 HD2 ARG 11 1HD ARG 11 3.937 -22.237 -13.101 53 HD3 ARG 11 2HD ARG 11 3.335 -20.655 -12.607 54 HE ARG 11 HE ARG 11 3.586 -22.201 -10.310 55 HH11 ARG 11 1HH1 ARG 11 5.633 -20.864 -12.789 56 HH12 ARG 11 2HH1 ARG 11 7.013 -20.715 -11.751 57 HH21 ARG 11 1HH2 ARG 11 5.395 -22.010 -8.935 58 HH22 ARG 11 2HH2 ARG 11 6.877 -21.368 -9.559 59 H ARG 12 H ARG 12 0.946 -21.062 -8.914 60 HA ARG 12 HA ARG 12 -1.427 -20.172 -7.547 61 HB2 ARG 12 1HB ARG 12 1.513 -20.081 -6.901 62 HB3 ARG 12 2HB ARG 12 0.318 -19.283 -5.887 63 HG2 ARG 12 1HG ARG 12 -0.822 -21.652 -5.933 64 HG3 ARG 12 2HG ARG 12 0.818 -22.181 -6.311 65 HD2 ARG 12 1HD ARG 12 -0.101 -20.637 -3.893 66 HD3 ARG 12 2HD ARG 12 0.523 -22.285 -3.938 67 HE ARG 12 HE ARG 12 2.049 -19.865 -3.897 68 HH11 ARG 12 1HH1 ARG 12 2.039 -23.188 -4.935 69 HH12 ARG 12 2HH1 ARG 12 3.766 -23.328 -4.938 70 HH21 ARG 12 1HH2 ARG 12 4.324 -20.037 -3.897 71 HH22 ARG 12 2HH2 ARG 12 5.064 -21.536 -4.346 72 HA PRO 13 HA PRO 13 -1.541 -16.028 -9.012 73 HB2 PRO 13 1HB PRO 13 -2.748 -14.829 -6.896 74 HB3 PRO 13 2HB PRO 13 -3.609 -15.887 -8.021 75 HG2 PRO 13 1HG PRO 13 -2.498 -16.506 -5.311 76 HG3 PRO 13 2HG PRO 13 -4.055 -16.977 -6.016 77 HD2 PRO 13 1HD PRO 13 -1.940 -18.663 -5.898 78 HD3 PRO 13 2HD PRO 13 -3.129 -18.714 -7.215 79 H LEU 14 H LEU 14 -0.302 -14.216 -8.962 80 HA LEU 14 HA LEU 14 2.096 -14.130 -7.601 81 HB2 LEU 14 1HB LEU 14 0.426 -12.014 -8.901 82 HB3 LEU 14 2HB LEU 14 1.924 -11.587 -8.075 83 HG LEU 14 HG LEU 14 1.943 -13.690 -10.203 84 HD11 LEU 14 1HD1 LEU 14 2.208 -12.090 -11.927 85 HD12 LEU 14 2HD1 LEU 14 2.238 -10.752 -10.779 86 HD13 LEU 14 3HD1 LEU 14 0.742 -11.645 -11.052 87 HD21 LEU 14 3HD2 LEU 14 4.216 -13.119 -10.407 88 HD22 LEU 14 1HD2 LEU 14 3.898 -13.152 -8.673 89 HD23 LEU 14 2HD2 LEU 14 4.002 -11.609 -9.521 90 H TRP 15 H TRP 15 -0.637 -11.940 -6.915 91 HA TRP 15 HA TRP 15 0.354 -11.021 -4.467 92 HB2 TRP 15 1HB TRP 15 -2.597 -11.213 -4.913 93 HB3 TRP 15 2HB TRP 15 -1.653 -9.893 -4.229 94 HD1 TRP 15 HD TRP 15 -3.249 -11.015 -7.404 95 HE1 TRP 15 1HE TRP 15 -2.681 -9.376 -9.306 96 HE3 TRP 15 3HE TRP 15 0.439 -8.335 -5.091 97 HZ2 TRP 15 2HZ TRP 15 -0.903 -7.232 -9.765 98 HZ3 TRP 15 3HZ TRP 15 1.523 -6.507 -6.331 99 HH2 TRP 15 HH TRP 15 0.864 -5.968 -8.619 100 H GLU 16 H GLU 16 -1.172 -11.303 -2.408 101 HA GLU 16 HA GLU 16 -1.547 -14.193 -1.979 102 HB2 GLU 16 1HB GLU 16 -0.091 -12.179 -0.308 103 HB3 GLU 16 2HB GLU 16 -0.869 -13.551 0.470 104 HG2 GLU 16 1HG GLU 16 0.923 -14.068 -1.841 105 HG3 GLU 16 2HG GLU 16 1.645 -13.637 -0.292 106 HA PRO 17 HA PRO 17 -5.533 -13.304 -0.378 107 HB2 PRO 17 1HB PRO 17 -5.767 -15.156 1.593 108 HB3 PRO 17 2HB PRO 17 -5.818 -15.570 -0.124 109 HG2 PRO 17 1HG PRO 17 -3.539 -15.773 1.806 110 HG3 PRO 17 2HG PRO 17 -4.063 -16.930 0.568 111 HD2 PRO 17 1HD PRO 17 -1.972 -15.249 0.200 112 HD3 PRO 17 2HD PRO 17 -3.022 -15.773 -1.132 113 H GLU 18 H GLU 18 -3.053 -13.747 2.134 114 HA GLU 18 HA GLU 18 -4.508 -12.229 4.085 115 HB2 GLU 18 1HB GLU 18 -2.166 -12.311 5.240 116 HB3 GLU 18 2HB GLU 18 -3.123 -13.778 5.097 117 HG2 GLU 18 1HG GLU 18 -1.201 -13.158 2.926 118 HG3 GLU 18 2HG GLU 18 -0.560 -13.706 4.474 119 H GLU 19 H GLU 19 -2.729 -11.381 1.392 120 HA GLU 19 HA GLU 19 -1.721 -8.882 2.511 121 HB2 GLU 19 1HB GLU 19 -1.412 -10.205 -0.180 122 HB3 GLU 19 2HB GLU 19 -0.855 -8.567 0.135 123 HG2 GLU 19 1HG GLU 19 0.577 -9.444 1.947 124 HG3 GLU 19 2HG GLU 19 0.077 -11.076 1.509 125 H THR 20 H THR 20 -2.291 -6.834 1.660 126 HA THR 20 HA THR 20 -5.067 -6.712 0.780 127 HB THR 20 HB THR 20 -3.198 -4.500 1.653 128 HG1 THR 20 1HG THR 20 -5.235 -5.976 2.974 129 HG21 THR 20 3HG2 THR 20 -5.414 -3.254 1.892 130 HG22 THR 20 1HG2 THR 20 -6.100 -4.508 0.861 131 HG23 THR 20 2HG2 THR 20 -4.799 -3.482 0.256 132 H VAL 21 H VAL 21 -5.443 -6.739 -1.335 133 HA VAL 21 HA VAL 21 -3.517 -5.435 -3.138 134 HB VAL 21 HB VAL 21 -5.611 -7.524 -3.752 135 HG11 VAL 21 1HG1 VAL 21 -5.194 -5.858 -5.577 136 HG12 VAL 21 2HG1 VAL 21 -3.517 -6.405 -5.606 137 HG13 VAL 21 3HG1 VAL 21 -4.819 -7.528 -6.000 138 HG21 VAL 21 3HG2 VAL 21 -2.960 -8.313 -4.418 139 HG22 VAL 21 1HG2 VAL 21 -2.971 -7.743 -2.749 140 HG23 VAL 21 2HG2 VAL 21 -4.064 -9.035 -3.247 141 H VAL 22 H VAL 22 -4.102 -3.708 -4.306 142 HA VAL 22 HA VAL 22 -6.933 -2.890 -4.215 143 HB VAL 22 HB VAL 22 -6.002 -0.556 -4.630 144 HG11 VAL 22 1HG1 VAL 22 -5.116 -0.524 -2.120 145 HG12 VAL 22 2HG1 VAL 22 -6.824 -0.718 -2.516 146 HG13 VAL 22 3HG1 VAL 22 -5.843 -2.130 -2.123 147 HG21 VAL 22 3HG2 VAL 22 -3.704 -1.576 -5.230 148 HG22 VAL 22 1HG2 VAL 22 -3.752 -0.086 -4.288 149 HG23 VAL 22 2HG2 VAL 22 -3.448 -1.627 -3.486 150 H ILE 23 H ILE 23 -7.468 -1.317 -6.066 151 HA ILE 23 HA ILE 23 -6.158 -2.147 -8.561 152 HB ILE 23 HB ILE 23 -9.154 -1.944 -8.277 153 HG12 ILE 23 1HG1 ILE 23 -7.727 -4.543 -8.682 154 HG13 ILE 23 2HG1 ILE 23 -7.859 -3.887 -7.054 155 HG21 ILE 23 1HG2 ILE 23 -7.330 -2.169 -10.505 156 HG22 ILE 23 2HG2 ILE 23 -8.468 -3.516 -10.466 157 HG23 ILE 23 3HG2 ILE 23 -9.066 -1.857 -10.498 158 HD11 ILE 23 3HD1 ILE 23 -10.420 -3.671 -7.973 159 HD12 ILE 23 1HD1 ILE 23 -9.867 -5.165 -8.730 160 HD13 ILE 23 2HD1 ILE 23 -9.792 -4.985 -6.977 161 H ALA 24 H ALA 24 -6.213 -0.641 -10.239 162 HA ALA 24 HA ALA 24 -6.664 2.100 -9.367 163 HB1 ALA 24 3HB ALA 24 -5.661 1.550 -12.093 164 HB2 ALA 24 1HB ALA 24 -5.125 2.735 -10.902 165 HB3 ALA 24 2HB ALA 24 -4.633 1.048 -10.751 166 H LEU 25 H LEU 25 -8.130 3.494 -10.245 167 HA LEU 25 HA LEU 25 -10.278 2.288 -11.795 168 HB2 LEU 25 1HB LEU 25 -10.113 5.068 -10.648 169 HB3 LEU 25 2HB LEU 25 -11.554 4.251 -11.251 170 HG LEU 25 HG LEU 25 -10.067 3.081 -8.939 171 HD11 LEU 25 1HD1 LEU 25 -11.158 4.456 -7.366 172 HD12 LEU 25 2HD1 LEU 25 -12.162 5.211 -8.603 173 HD13 LEU 25 3HD1 LEU 25 -10.433 5.552 -8.542 174 HD21 LEU 25 3HD2 LEU 25 -12.210 2.202 -8.368 175 HD22 LEU 25 1HD2 LEU 25 -11.957 1.914 -10.090 176 HD23 LEU 25 2HD2 LEU 25 -13.012 3.225 -9.561 177 H TYR 26 H TYR 26 -7.739 4.661 -12.125 178 HA TYR 26 HA TYR 26 -8.439 4.933 -14.966 179 HB2 TYR 26 1HB TYR 26 -7.300 7.247 -13.425 180 HB3 TYR 26 2HB TYR 26 -8.138 7.257 -14.973 181 HD1 TYR 26 2HD TYR 26 -8.568 7.026 -11.325 182 HD2 TYR 26 1HD TYR 26 -10.535 7.332 -15.085 183 HE1 TYR 26 2HE TYR 26 -10.673 7.565 -10.173 184 HE2 TYR 26 1HE TYR 26 -12.645 7.873 -13.944 185 HH TYR 26 HH TYR 26 -12.794 8.689 -10.648 186 H ASP 27 H ASP 27 -6.678 5.315 -16.377 187 HA ASP 27 HA ASP 27 -4.257 4.024 -15.564 188 HB2 ASP 27 1HB ASP 27 -3.561 4.885 -17.956 189 HB3 ASP 27 2HB ASP 27 -4.716 3.567 -17.777 190 H TYR 28 H TYR 28 -3.250 5.244 -13.997 191 HA TYR 28 HA TYR 28 -2.754 8.051 -14.348 192 HB2 TYR 28 1HB TYR 28 -3.048 6.922 -12.118 193 HB3 TYR 28 2HB TYR 28 -1.470 6.180 -12.351 194 HD1 TYR 28 2HD TYR 28 -3.165 9.484 -12.130 195 HD2 TYR 28 1HD TYR 28 0.473 7.316 -11.718 196 HE1 TYR 28 2HE TYR 28 -2.094 11.477 -11.165 197 HE2 TYR 28 1HE TYR 28 1.554 9.303 -10.751 198 HH TYR 28 HH TYR 28 0.505 11.500 -9.413 199 H GLN 29 H GLN 29 -0.641 9.022 -14.464 200 HA GLN 29 HA GLN 29 1.550 7.348 -15.390 201 HB2 GLN 29 1HB GLN 29 1.732 8.182 -17.519 202 HB3 GLN 29 2HB GLN 29 -0.016 8.205 -17.334 203 HG2 GLN 29 1HG GLN 29 0.400 10.633 -16.472 204 HG3 GLN 29 2HG GLN 29 1.918 10.468 -17.352 205 HE21 GLN 29 1HE2 GLN 29 -1.406 11.087 -17.563 206 HE22 GLN 29 2HE2 GLN 29 -1.527 11.175 -19.284 207 H THR 30 H THR 30 3.585 8.338 -15.249 208 HA THR 30 HA THR 30 3.967 11.069 -14.605 209 HB THR 30 HB THR 30 2.961 10.366 -12.459 210 HG1 THR 30 1HG THR 30 4.918 11.013 -11.174 211 HG21 THR 30 3HG2 THR 30 3.802 8.686 -11.117 212 HG22 THR 30 1HG2 THR 30 5.398 8.741 -11.865 213 HG23 THR 30 2HG2 THR 30 4.047 7.997 -12.722 214 H ASN 31 H ASN 31 5.894 11.463 -15.453 215 HA ASN 31 HA ASN 31 7.822 9.333 -15.793 216 HB2 ASN 31 1HB ASN 31 7.658 12.192 -16.714 217 HB3 ASN 31 2HB ASN 31 9.152 11.274 -16.878 218 HD21 ASN 31 1HD2 ASN 31 7.196 12.380 -18.846 219 HD22 ASN 31 2HD2 ASN 31 6.794 11.043 -19.864 220 H ASP 32 H ASP 32 7.450 9.801 -13.116 221 HA ASP 32 HA ASP 32 10.015 11.031 -12.352 222 HB2 ASP 32 1HB ASP 32 7.297 11.391 -11.170 223 HB3 ASP 32 2HB ASP 32 8.686 11.398 -10.086 224 HA PRO 33 HA PRO 33 10.959 7.141 -10.527 225 HB2 PRO 33 1HB PRO 33 12.836 7.946 -8.737 226 HB3 PRO 33 2HB PRO 33 13.140 7.864 -10.476 227 HG2 PRO 33 1HG PRO 33 12.452 10.235 -8.784 228 HG3 PRO 33 2HG PRO 33 13.654 10.096 -10.080 229 HD2 PRO 33 1HD PRO 33 11.225 11.230 -10.461 230 HD3 PRO 33 2HD PRO 33 12.076 10.342 -11.741 231 H GLN 34 H GLN 34 10.456 9.860 -8.286 232 HA GLN 34 HA GLN 34 9.939 8.290 -6.004 233 HB2 GLN 34 1HB GLN 34 8.837 10.389 -5.139 234 HB3 GLN 34 2HB GLN 34 10.499 10.578 -5.679 235 HG2 GLN 34 1HG GLN 34 9.868 11.720 -7.612 236 HG3 GLN 34 2HG GLN 34 8.195 11.177 -7.494 237 HE21 GLN 34 1HE2 GLN 34 8.112 13.631 -7.883 238 HE22 GLN 34 2HE2 GLN 34 7.971 14.604 -6.462 239 H GLU 35 H GLU 35 7.982 9.187 -8.713 240 HA GLU 35 HA GLU 35 5.570 8.193 -7.362 241 HB2 GLU 35 1HB GLU 35 5.867 9.777 -9.919 242 HB3 GLU 35 2HB GLU 35 4.337 9.217 -9.257 243 HG2 GLU 35 1HG GLU 35 4.457 10.672 -7.435 244 HG3 GLU 35 2HG GLU 35 6.179 10.966 -7.671 245 H LEU 36 H LEU 36 4.033 7.005 -8.904 246 HA LEU 36 HA LEU 36 5.525 5.223 -10.703 247 HB2 LEU 36 1HB LEU 36 5.247 4.076 -8.576 248 HB3 LEU 36 2HB LEU 36 3.512 4.379 -8.623 249 HG LEU 36 HG LEU 36 3.521 2.985 -10.777 250 HD11 LEU 36 1HD1 LEU 36 5.805 2.850 -11.311 251 HD12 LEU 36 2HD1 LEU 36 5.374 1.249 -10.712 252 HD13 LEU 36 3HD1 LEU 36 6.247 2.373 -9.671 253 HD21 LEU 36 3HD2 LEU 36 3.600 2.188 -7.972 254 HD22 LEU 36 1HD2 LEU 36 3.994 0.878 -9.086 255 HD23 LEU 36 2HD2 LEU 36 2.465 1.744 -9.248 256 H ALA 37 H ALA 37 4.292 4.268 -12.379 257 HA ALA 37 HA ALA 37 1.921 5.834 -13.079 258 HB1 ALA 37 3HB ALA 37 4.079 5.255 -14.571 259 HB2 ALA 37 1HB ALA 37 3.027 3.914 -15.026 260 HB3 ALA 37 2HB ALA 37 2.484 5.577 -15.250 261 H LEU 38 H LEU 38 0.128 4.949 -12.227 262 HA LEU 38 HA LEU 38 -0.232 2.156 -11.830 263 HB2 LEU 38 1HB LEU 38 -2.242 4.403 -11.850 264 HB3 LEU 38 2HB LEU 38 -2.561 2.762 -11.292 265 HG LEU 38 HG LEU 38 -0.665 4.745 -10.034 266 HD11 LEU 38 1HD1 LEU 38 -2.918 5.350 -9.557 267 HD12 LEU 38 2HD1 LEU 38 -2.272 4.543 -8.128 268 HD13 LEU 38 3HD1 LEU 38 -3.358 3.677 -9.214 269 HD21 LEU 38 3HD2 LEU 38 -0.860 2.826 -8.211 270 HD22 LEU 38 1HD2 LEU 38 0.373 2.799 -9.472 271 HD23 LEU 38 2HD2 LEU 38 -1.092 1.833 -9.650 272 H ARG 39 H ARG 39 -2.233 1.031 -12.732 273 HA ARG 39 HA ARG 39 -2.648 1.705 -15.562 274 HB2 ARG 39 1HB ARG 39 -0.933 -0.124 -15.263 275 HB3 ARG 39 2HB ARG 39 -2.212 -1.112 -14.570 276 HG2 ARG 39 1HG ARG 39 -2.141 -1.802 -16.778 277 HG3 ARG 39 2HG ARG 39 -3.470 -0.641 -16.765 278 HD2 ARG 39 1HD ARG 39 -2.309 0.049 -18.621 279 HD3 ARG 39 2HD ARG 39 -1.584 1.066 -17.377 280 HE ARG 39 HE ARG 39 0.400 0.054 -17.831 281 HH11 ARG 39 1HH1 ARG 39 -2.165 -2.114 -18.747 282 HH12 ARG 39 2HH1 ARG 39 -1.096 -3.322 -19.377 283 HH21 ARG 39 1HH2 ARG 39 1.819 -1.529 -18.658 284 HH22 ARG 39 2HH2 ARG 39 1.170 -2.989 -19.326 285 H ARG 40 H ARG 40 -4.697 1.473 -16.285 286 HA ARG 40 HA ARG 40 -6.810 1.250 -14.444 287 HB2 ARG 40 1HB ARG 40 -6.910 2.460 -16.628 288 HB3 ARG 40 2HB ARG 40 -6.958 0.902 -17.442 289 HG2 ARG 40 1HG ARG 40 -9.085 0.399 -16.593 290 HG3 ARG 40 2HG ARG 40 -8.991 1.676 -15.377 291 HD2 ARG 40 1HD ARG 40 -9.420 3.347 -16.906 292 HD3 ARG 40 2HD ARG 40 -8.835 2.393 -18.269 293 HE ARG 40 HE ARG 40 -11.043 1.048 -17.434 294 HH11 ARG 40 1HH1 ARG 40 -10.412 4.344 -18.357 295 HH12 ARG 40 2HH1 ARG 40 -12.010 4.616 -18.969 296 HH21 ARG 40 1HH2 ARG 40 -13.150 1.393 -18.235 297 HH22 ARG 40 2HH2 ARG 40 -13.567 2.937 -18.898 298 H ASN 41 H ASN 41 -8.349 -0.368 -14.111 299 HA ASN 41 HA ASN 41 -8.922 -2.524 -13.610 300 HB2 ASN 41 1HB ASN 41 -9.349 -3.914 -15.530 301 HB3 ASN 41 2HB ASN 41 -9.701 -2.246 -15.973 302 HD21 ASN 41 1HD2 ASN 41 -8.289 -1.150 -17.361 303 HD22 ASN 41 2HD2 ASN 41 -7.178 -2.000 -18.376 304 H GLU 42 H GLU 42 -6.490 -2.144 -12.615 305 HA GLU 42 HA GLU 42 -5.194 -4.724 -13.066 306 HB2 GLU 42 1HB GLU 42 -3.933 -2.042 -13.429 307 HB3 GLU 42 2HB GLU 42 -2.962 -3.343 -12.755 308 HG2 GLU 42 1HG GLU 42 -4.488 -3.700 -15.306 309 HG3 GLU 42 2HG GLU 42 -2.890 -2.956 -15.281 310 H GLU 43 H GLU 43 -4.246 -5.608 -11.260 311 HA GLU 43 HA GLU 43 -5.036 -4.436 -8.736 312 HB2 GLU 43 1HB GLU 43 -3.823 -7.064 -9.544 313 HB3 GLU 43 2HB GLU 43 -3.905 -6.588 -7.854 314 HG2 GLU 43 1HG GLU 43 -6.254 -6.577 -7.860 315 HG3 GLU 43 2HG GLU 43 -6.328 -6.633 -9.621 316 H TYR 44 H TYR 44 -3.541 -4.233 -6.927 317 HA TYR 44 HA TYR 44 -0.716 -4.032 -7.510 318 HB2 TYR 44 1HB TYR 44 -2.428 -1.605 -7.025 319 HB3 TYR 44 2HB TYR 44 -0.715 -1.611 -6.622 320 HD1 TYR 44 1HD TYR 44 -3.110 -2.043 -9.423 321 HD2 TYR 44 2HD TYR 44 0.915 -1.263 -8.286 322 HE1 TYR 44 1HE TYR 44 -2.569 -1.470 -11.753 323 HE2 TYR 44 2HE TYR 44 1.467 -0.686 -10.612 324 HH TYR 44 HH TYR 44 -1.000 -0.400 -13.070 325 H CYS 45 H CYS 45 0.463 -4.466 -5.746 326 HA CYS 45 HA CYS 45 -0.912 -5.022 -3.271 327 HB2 CYS 45 1HB CYS 45 0.962 -6.427 -4.303 328 HB3 CYS 45 2HB CYS 45 2.063 -5.180 -3.729 329 HG CYS 45 HG CYS 45 1.577 -7.718 -2.130 330 H LEU 46 H LEU 46 -0.992 -3.774 -1.513 331 HA LEU 46 HA LEU 46 0.181 -1.137 -1.614 332 HB2 LEU 46 1HB LEU 46 -2.087 -1.413 -0.803 333 HB3 LEU 46 2HB LEU 46 -1.523 -2.492 0.471 334 HG LEU 46 HG LEU 46 -0.320 -0.616 1.507 335 HD11 LEU 46 1HD1 LEU 46 -1.692 1.149 -0.505 336 HD12 LEU 46 2HD1 LEU 46 -0.011 0.638 -0.647 337 HD13 LEU 46 3HD1 LEU 46 -0.522 1.615 0.730 338 HD21 LEU 46 3HD2 LEU 46 -3.240 -0.690 1.117 339 HD22 LEU 46 1HD2 LEU 46 -2.590 0.804 1.792 340 HD23 LEU 46 2HD2 LEU 46 -2.288 -0.733 2.602 341 H LEU 47 H LEU 47 2.186 -0.760 -0.965 342 HA LEU 47 HA LEU 47 3.598 -2.607 0.732 343 HB2 LEU 47 1HB LEU 47 4.404 0.062 -0.413 344 HB3 LEU 47 2HB LEU 47 5.480 -1.023 0.466 345 HG LEU 47 HG LEU 47 4.160 -1.602 -2.186 346 HD11 LEU 47 1HD1 LEU 47 7.055 -1.592 -2.082 347 HD12 LEU 47 2HD1 LEU 47 6.368 -0.026 -1.653 348 HD13 LEU 47 3HD1 LEU 47 5.960 -0.774 -3.196 349 HD21 LEU 47 3HD2 LEU 47 6.020 -3.473 -2.002 350 HD22 LEU 47 1HD2 LEU 47 4.400 -3.708 -1.346 351 HD23 LEU 47 2HD2 LEU 47 5.727 -3.254 -0.276 352 H ASP 48 H ASP 48 2.908 0.887 0.979 353 HA ASP 48 HA ASP 48 2.267 0.622 3.778 354 HB2 ASP 48 1HB ASP 48 4.715 2.179 2.919 355 HB3 ASP 48 2HB ASP 48 3.991 2.250 4.524 356 H SER 49 H SER 49 1.232 2.456 4.636 357 HA SER 49 HA SER 49 0.349 4.373 2.586 358 HB2 SER 49 1HB SER 49 -1.677 4.660 3.883 359 HB3 SER 49 2HB SER 49 -1.407 2.936 3.630 360 HG SER 49 HG SER 49 -0.373 2.993 5.767 361 H SER 50 H SER 50 2.791 4.896 3.698 362 HA SER 50 HA SER 50 3.179 6.252 5.968 363 HB2 SER 50 1HB SER 50 4.689 6.032 3.832 364 HB3 SER 50 2HB SER 50 4.059 7.636 3.457 365 HG SER 50 HG SER 50 5.692 8.194 4.694 366 H GLU 51 H GLU 51 1.407 7.502 3.182 367 HA GLU 51 HA GLU 51 0.457 9.715 4.881 368 HB2 GLU 51 1HB GLU 51 1.332 9.704 2.018 369 HB3 GLU 51 2HB GLU 51 0.098 10.844 2.536 370 HG2 GLU 51 1HG GLU 51 2.696 10.622 4.001 371 HG3 GLU 51 2HG GLU 51 2.555 11.589 2.534 372 H ILE 52 H ILE 52 -1.600 10.711 3.652 373 HA ILE 52 HA ILE 52 -3.495 8.495 3.522 374 HB ILE 52 HB ILE 52 -4.015 11.468 3.638 375 HG12 ILE 52 1HG1 ILE 52 -4.435 9.462 5.847 376 HG13 ILE 52 2HG1 ILE 52 -2.911 10.321 5.653 377 HG21 ILE 52 1HG2 ILE 52 -6.028 10.825 2.878 378 HG22 ILE 52 2HG2 ILE 52 -5.747 9.130 3.273 379 HG23 ILE 52 3HG2 ILE 52 -6.275 10.252 4.527 380 HD11 ILE 52 3HD1 ILE 52 -5.416 11.212 6.793 381 HD12 ILE 52 1HD1 ILE 52 -3.794 11.885 6.952 382 HD13 ILE 52 2HD1 ILE 52 -4.800 12.325 5.572 383 H HIS 53 H HIS 53 -2.899 11.512 1.708 384 HA HIS 53 HA HIS 53 -4.494 10.758 -0.507 385 HB2 HIS 53 1HB HIS 53 -2.222 12.712 -0.711 386 HB3 HIS 53 2HB HIS 53 -3.785 12.747 -1.521 387 HD1 HIS 53 1HD HIS 53 -5.849 13.493 -0.040 388 HD2 HIS 53 2HD HIS 53 -2.117 14.021 1.708 389 HE1 HIS 53 1HE HIS 53 -6.228 15.052 1.897 390 HE2 HIS 53 2HE HIS 53 -3.942 15.424 2.887 391 H TRP 54 H TRP 54 -1.008 10.618 0.106 392 HA TRP 54 HA TRP 54 -0.623 9.199 -2.427 393 HB2 TRP 54 1HB TRP 54 1.436 10.235 -0.466 394 HB3 TRP 54 2HB TRP 54 1.771 9.546 -2.052 395 HD1 TRP 54 HD TRP 54 1.360 12.787 -0.417 396 HE1 TRP 54 1HE TRP 54 0.980 14.658 -2.143 397 HE3 TRP 54 3HE TRP 54 0.324 9.912 -4.515 398 HZ2 TRP 54 2HZ TRP 54 0.327 14.886 -4.880 399 HZ3 TRP 54 3HZ TRP 54 -0.168 11.034 -6.649 400 HH2 TRP 54 HH TRP 54 -0.167 13.470 -6.825 401 H TRP 55 H TRP 55 -0.446 7.061 -2.488 402 HA TRP 55 HA TRP 55 0.186 5.640 0.016 403 HB2 TRP 55 1HB TRP 55 -1.825 5.099 -2.122 404 HB3 TRP 55 2HB TRP 55 -1.082 3.723 -1.311 405 HD1 TRP 55 HD TRP 55 -1.329 6.427 1.147 406 HE1 TRP 55 1HE TRP 55 -3.384 6.112 2.664 407 HE3 TRP 55 3HE TRP 55 -3.802 2.870 -1.567 408 HZ2 TRP 55 2HZ TRP 55 -5.742 4.559 2.705 409 HZ3 TRP 55 3HZ TRP 55 -5.951 2.022 -0.719 410 HH2 TRP 55 HH TRP 55 -6.898 2.850 1.373 411 H ARG 56 H ARG 56 1.725 4.069 -0.016 412 HA ARG 56 HA ARG 56 3.383 3.938 -2.409 413 HB2 ARG 56 1HB ARG 56 4.331 4.351 -0.100 414 HB3 ARG 56 2HB ARG 56 3.924 2.684 0.282 415 HG2 ARG 56 1HG ARG 56 5.447 1.854 -1.344 416 HG3 ARG 56 2HG ARG 56 5.711 3.469 -2.004 417 HD2 ARG 56 1HD ARG 56 6.284 3.022 0.877 418 HD3 ARG 56 2HD ARG 56 7.408 2.349 -0.303 419 HE ARG 56 HE ARG 56 7.089 5.103 0.393 420 HH11 ARG 56 1HH1 ARG 56 7.977 2.928 -2.176 421 HH12 ARG 56 2HH1 ARG 56 8.979 4.085 -2.986 422 HH21 ARG 56 1HH2 ARG 56 8.406 6.636 -0.664 423 HH22 ARG 56 2HH2 ARG 56 9.224 6.194 -2.125 424 H VAL 57 H VAL 57 2.814 2.458 -3.865 425 HA VAL 57 HA VAL 57 2.048 -0.222 -2.902 426 HB VAL 57 HB VAL 57 0.707 -0.510 -4.917 427 HG11 VAL 57 1HG1 VAL 57 -0.098 0.717 -2.752 428 HG12 VAL 57 2HG1 VAL 57 -0.209 2.112 -3.827 429 HG13 VAL 57 3HG1 VAL 57 -1.135 0.652 -4.176 430 HG21 VAL 57 3HG2 VAL 57 2.231 1.316 -6.106 431 HG22 VAL 57 1HG2 VAL 57 0.595 0.955 -6.656 432 HG23 VAL 57 2HG2 VAL 57 0.892 2.363 -5.636 433 H GLN 58 H GLN 58 2.406 -1.922 -4.679 434 HA GLN 58 HA GLN 58 4.913 -1.382 -6.119 435 HB2 GLN 58 1HB GLN 58 5.411 -2.632 -4.059 436 HB3 GLN 58 2HB GLN 58 4.273 -3.882 -4.544 437 HG2 GLN 58 1HG GLN 58 5.635 -4.568 -6.340 438 HG3 GLN 58 2HG GLN 58 6.651 -3.133 -6.213 439 HE21 GLN 58 1HE2 GLN 58 8.312 -3.098 -4.781 440 HE22 GLN 58 2HE2 GLN 58 8.778 -4.452 -3.814 441 H ASP 59 H ASP 59 4.661 -1.713 -8.216 442 HA ASP 59 HA ASP 59 2.374 -2.911 -9.347 443 HB2 ASP 59 1HB ASP 59 4.015 -2.933 -11.441 444 HB3 ASP 59 2HB ASP 59 3.314 -1.437 -10.829 445 H ARG 60 H ARG 60 2.655 -4.691 -11.093 446 HA ARG 60 HA ARG 60 3.344 -7.085 -9.739 447 HB2 ARG 60 1HB ARG 60 2.774 -8.202 -11.854 448 HB3 ARG 60 2HB ARG 60 1.552 -7.026 -11.390 449 HG2 ARG 60 1HG ARG 60 2.542 -5.417 -12.976 450 HG3 ARG 60 2HG ARG 60 3.688 -6.661 -13.480 451 HD2 ARG 60 1HD ARG 60 1.629 -8.094 -13.979 452 HD3 ARG 60 2HD ARG 60 0.707 -6.598 -13.841 453 HE ARG 60 HE ARG 60 1.479 -5.991 -15.900 454 HH11 ARG 60 1HH1 ARG 60 3.546 -8.482 -14.619 455 HH12 ARG 60 2HH1 ARG 60 4.470 -8.646 -16.076 456 HH21 ARG 60 1HH2 ARG 60 2.688 -6.198 -17.823 457 HH22 ARG 60 2HH2 ARG 60 3.982 -7.346 -17.897 458 H ASN 61 H ASN 61 5.086 -4.944 -11.811 459 HA ASN 61 HA ASN 61 7.076 -6.812 -12.658 460 HB2 ASN 61 1HB ASN 61 6.967 -3.794 -12.649 461 HB3 ASN 61 2HB ASN 61 8.346 -4.697 -13.268 462 HD21 ASN 61 1HD2 ASN 61 7.649 -3.380 -15.188 463 HD22 ASN 61 2HD2 ASN 61 6.515 -4.114 -16.266 464 H GLY 62 H GLY 62 6.745 -4.549 -9.983 465 HA2 GLY 62 1HA GLY 62 7.936 -5.468 -7.935 466 HA3 GLY 62 2HA GLY 62 9.363 -5.452 -8.960 467 H HIS 63 H HIS 63 7.888 -2.864 -10.065 468 HA HIS 63 HA HIS 63 9.498 -1.059 -8.511 469 HB2 HIS 63 1HB HIS 63 7.451 -0.191 -10.532 470 HB3 HIS 63 2HB HIS 63 8.986 0.568 -10.119 471 HD1 HIS 63 1HD HIS 63 8.042 -0.287 -13.035 472 HD2 HIS 63 2HD HIS 63 10.690 -2.359 -10.595 473 HE1 HIS 63 1HE HIS 63 9.438 -1.684 -14.592 474 HE2 HIS 63 2HE HIS 63 10.976 -2.993 -13.086 475 H GLU 64 H GLU 64 8.294 1.179 -8.046 476 HA GLU 64 HA GLU 64 5.634 0.941 -7.013 477 HB2 GLU 64 1HB GLU 64 6.447 1.539 -4.631 478 HB3 GLU 64 2HB GLU 64 6.502 -0.142 -5.143 479 HG2 GLU 64 1HG GLU 64 8.535 0.239 -4.056 480 HG3 GLU 64 2HG GLU 64 8.918 0.276 -5.776 481 H GLY 65 H GLY 65 5.336 2.984 -5.394 482 HA2 GLY 65 1HA GLY 65 6.788 5.291 -5.586 483 HA3 GLY 65 2HA GLY 65 5.855 5.255 -7.075 484 H TYR 66 H TYR 66 5.447 7.341 -5.446 485 HA TYR 66 HA TYR 66 3.229 6.809 -3.661 486 HB2 TYR 66 1HB TYR 66 4.719 9.308 -4.445 487 HB3 TYR 66 2HB TYR 66 3.263 9.364 -3.458 488 HD1 TYR 66 1HD TYR 66 3.603 7.041 -1.704 489 HD2 TYR 66 2HD TYR 66 6.463 9.900 -3.026 490 HE1 TYR 66 1HE TYR 66 4.948 6.618 0.311 491 HE2 TYR 66 2HE TYR 66 7.817 9.485 -1.015 492 HH TYR 66 HH TYR 66 6.868 8.305 1.628 493 H VAL 67 H VAL 67 1.327 6.382 -4.581 494 HA VAL 67 HA VAL 67 0.462 8.065 -6.842 495 HB VAL 67 HB VAL 67 -1.204 6.125 -7.219 496 HG11 VAL 67 1HG1 VAL 67 1.681 6.258 -7.900 497 HG12 VAL 67 2HG1 VAL 67 0.805 4.783 -8.314 498 HG13 VAL 67 3HG1 VAL 67 0.265 6.338 -8.947 499 HG21 VAL 67 3HG2 VAL 67 0.931 4.584 -5.757 500 HG22 VAL 67 1HG2 VAL 67 -0.614 5.034 -5.033 501 HG23 VAL 67 2HG2 VAL 67 -0.575 3.967 -6.437 502 HA PRO 68 HA PRO 68 -2.899 9.604 -4.475 503 HB2 PRO 68 1HB PRO 68 -4.830 9.840 -6.370 504 HB3 PRO 68 2HB PRO 68 -3.427 10.913 -6.288 505 HG2 PRO 68 1HG PRO 68 -3.890 8.530 -8.040 506 HG3 PRO 68 2HG PRO 68 -3.196 10.107 -8.458 507 HD2 PRO 68 1HD PRO 68 -1.669 7.918 -8.003 508 HD3 PRO 68 2HD PRO 68 -1.124 9.561 -7.609 509 H SER 69 H SER 69 -3.701 8.197 -3.009 510 HA SER 69 HA SER 69 -4.651 5.675 -3.292 511 HB2 SER 69 1HB SER 69 -5.847 5.954 -1.228 512 HB3 SER 69 2HB SER 69 -4.401 6.959 -1.136 513 HG SER 69 HG SER 69 -5.706 8.551 -0.771 514 H SER 70 H SER 70 -6.208 8.588 -4.315 515 HA SER 70 HA SER 70 -8.870 7.830 -4.441 516 HB2 SER 70 1HB SER 70 -7.404 9.504 -6.493 517 HB3 SER 70 2HB SER 70 -9.137 9.521 -6.165 518 HG SER 70 HG SER 70 -7.037 10.641 -4.730 519 H TYR 71 H TYR 71 -6.270 7.243 -6.774 520 HA TYR 71 HA TYR 71 -7.907 5.973 -8.710 521 HB2 TYR 71 1HB TYR 71 -4.935 5.998 -8.214 522 HB3 TYR 71 2HB TYR 71 -5.650 5.051 -9.515 523 HD1 TYR 71 1HD TYR 71 -6.149 8.519 -8.193 524 HD2 TYR 71 2HD TYR 71 -5.383 6.048 -11.570 525 HE1 TYR 71 1HE TYR 71 -6.135 10.509 -9.638 526 HE2 TYR 71 2HE TYR 71 -5.366 8.031 -13.025 527 HH TYR 71 HH TYR 71 -6.017 11.269 -11.724 528 H LEU 72 H LEU 72 -5.818 4.729 -6.125 529 HA LEU 72 HA LEU 72 -6.362 1.988 -6.696 530 HB2 LEU 72 1HB LEU 72 -5.278 3.285 -4.200 531 HB3 LEU 72 2HB LEU 72 -5.277 1.554 -4.532 532 HG LEU 72 HG LEU 72 -3.758 3.641 -6.097 533 HD11 LEU 72 1HD1 LEU 72 -2.986 1.769 -3.892 534 HD12 LEU 72 2HD1 LEU 72 -2.630 3.486 -4.073 535 HD13 LEU 72 3HD1 LEU 72 -1.804 2.303 -5.087 536 HD21 LEU 72 3HD2 LEU 72 -4.446 0.871 -6.627 537 HD22 LEU 72 1HD2 LEU 72 -2.703 1.142 -6.615 538 HD23 LEU 72 2HD2 LEU 72 -3.734 2.085 -7.692 539 H VAL 73 H VAL 73 -7.832 0.612 -5.814 540 HA VAL 73 HA VAL 73 -9.663 1.668 -3.772 541 HB VAL 73 HB VAL 73 -11.601 1.056 -4.908 542 HG11 VAL 73 1HG1 VAL 73 -11.576 2.612 -6.515 543 HG12 VAL 73 2HG1 VAL 73 -9.876 2.826 -6.094 544 HG13 VAL 73 3HG1 VAL 73 -10.329 1.772 -7.435 545 HG21 VAL 73 3HG2 VAL 73 -9.851 -0.565 -6.751 546 HG22 VAL 73 1HG2 VAL 73 -11.021 -1.168 -5.576 547 HG23 VAL 73 2HG2 VAL 73 -11.576 -0.298 -7.006 548 H GLU 74 H GLU 74 -10.106 0.274 -2.175 549 HA GLU 74 HA GLU 74 -8.704 -2.141 -1.912 550 HB2 GLU 74 1HB GLU 74 -9.807 -0.609 -0.114 551 HB3 GLU 74 2HB GLU 74 -11.233 -1.599 -0.392 552 HG2 GLU 74 1HG GLU 74 -9.504 -3.561 -0.023 553 HG3 GLU 74 2HG GLU 74 -8.646 -2.307 0.870 554 H LYS 75 H LYS 75 -9.011 -3.814 -3.239 555 HA LYS 75 HA LYS 75 -11.192 -4.456 -4.758 556 HB2 LYS 75 1HB LYS 75 -8.994 -5.565 -4.929 557 HB3 LYS 75 2HB LYS 75 -9.317 -6.421 -3.427 558 HG2 LYS 75 1HG LYS 75 -10.804 -7.852 -4.396 559 HG3 LYS 75 2HG LYS 75 -11.277 -6.693 -5.641 560 HD2 LYS 75 1HD LYS 75 -8.988 -6.999 -6.642 561 HD3 LYS 75 2HD LYS 75 -8.751 -8.331 -5.509 562 HE2 LYS 75 1HE LYS 75 -9.488 -9.344 -7.494 563 HE3 LYS 75 2HE LYS 75 -10.908 -9.301 -6.450 564 HZ1 LYS 75 3HZ LYS 75 -11.755 -7.437 -7.639 565 HZ2 LYS 75 1HZ LYS 75 -11.333 -8.614 -8.778 566 HZ3 LYS 75 2HZ LYS 75 -10.331 -7.273 -8.537 567 H SER 76 H SER 76 -13.233 -4.565 -4.067 568 HA SER 76 HA SER 76 -14.010 -5.354 -1.466 569 HB2 SER 76 1HB SER 76 -15.389 -4.645 -3.992 570 HB3 SER 76 2HB SER 76 -16.308 -5.633 -2.856 571 HG SER 76 HG SER 76 -15.563 -2.998 -2.693 572 HA PRO 77 HA PRO 77 -15.455 -9.489 -3.496 573 HB2 PRO 77 1HB PRO 77 -14.696 -9.958 -6.060 574 HB3 PRO 77 2HB PRO 77 -16.197 -9.125 -5.639 575 HG2 PRO 77 1HG PRO 77 -13.569 -7.975 -6.495 576 HG3 PRO 77 2HG PRO 77 -15.207 -7.516 -6.995 577 HD2 PRO 77 1HD PRO 77 -13.803 -6.121 -5.147 578 HD3 PRO 77 2HD PRO 77 -15.571 -6.263 -5.095 579 H ASN 78 H ASN 78 -14.272 -11.075 -2.652 580 HA ASN 78 HA ASN 78 -11.505 -11.434 -3.575 581 HB2 ASN 78 1HB ASN 78 -11.288 -10.332 -1.451 582 HB3 ASN 78 2HB ASN 78 -12.467 -11.410 -0.710 583 HD21 ASN 78 1HD2 ASN 78 -11.672 -13.003 0.443 584 HD22 ASN 78 2HD2 ASN 78 -10.095 -13.690 0.284 585 H ASN 79 H ASN 79 -10.964 -13.484 -4.038 586 HA ASN 79 HA ASN 79 -12.786 -15.482 -4.439 587 HB2 ASN 79 1HB ASN 79 -10.586 -15.632 -5.400 588 HB3 ASN 79 2HB ASN 79 -9.839 -15.716 -3.807 589 HD21 ASN 79 1HD2 ASN 79 -9.018 -17.622 -5.290 590 HD22 ASN 79 2HD2 ASN 79 -9.810 -19.128 -4.991 591 H LEU 80 H LEU 80 -14.150 -16.333 -3.012 592 HA LEU 80 HA LEU 80 -13.549 -16.517 -0.217 593 HB2 LEU 80 1HB LEU 80 -15.851 -17.436 -1.913 594 HB3 LEU 80 2HB LEU 80 -15.754 -17.801 -0.192 595 HG LEU 80 HG LEU 80 -15.756 -15.004 -1.319 596 HD11 LEU 80 1HD1 LEU 80 -18.018 -14.894 -1.171 597 HD12 LEU 80 2HD1 LEU 80 -18.109 -16.113 0.100 598 HD13 LEU 80 3HD1 LEU 80 -17.862 -16.603 -1.576 599 HD21 LEU 80 3HD2 LEU 80 -14.967 -14.643 0.762 600 HD22 LEU 80 1HD2 LEU 80 -15.549 -16.193 1.369 601 HD23 LEU 80 2HD2 LEU 80 -16.661 -14.833 1.215 602 H GLU 81 H GLU 81 -11.813 -17.885 0.070 603 HA GLU 81 HA GLU 81 -12.339 -20.721 -0.523 604 HB2 GLU 81 1HB GLU 81 -10.600 -19.904 -2.028 605 HB3 GLU 81 2HB GLU 81 -9.681 -19.289 -0.662 606 HG2 GLU 81 1HG GLU 81 -8.670 -21.318 -1.334 607 HG3 GLU 81 2HG GLU 81 -9.517 -21.636 0.179 608 H THR 82 H THR 82 -13.094 -21.196 1.519 609 HA THR 82 HA THR 82 -11.805 -20.375 3.913 610 HB THR 82 HB THR 82 -14.180 -21.024 3.862 611 HG1 THR 82 1HG THR 82 -14.048 -22.394 5.770 612 HG21 THR 82 3HG2 THR 82 -13.713 -23.897 3.992 613 HG22 THR 82 1HG2 THR 82 -13.309 -23.210 2.419 614 HG23 THR 82 2HG2 THR 82 -14.926 -22.990 3.089 615 H TYR 83 H TYR 83 -10.879 -21.889 5.517 616 HA TYR 83 HA TYR 83 -9.492 -24.178 4.319 617 HB2 TYR 83 1HB TYR 83 -8.238 -21.793 5.629 618 HB3 TYR 83 2HB TYR 83 -7.466 -23.368 5.774 619 HD1 TYR 83 2HD TYR 83 -8.576 -20.796 3.359 620 HD2 TYR 83 1HD TYR 83 -6.251 -24.307 3.966 621 HE1 TYR 83 2HE TYR 83 -7.534 -20.479 1.154 622 HE2 TYR 83 1HE TYR 83 -5.201 -23.999 1.762 623 HH TYR 83 HH TYR 83 -4.909 -21.541 0.192 624 H GLU 84 H GLU 84 -8.320 -25.456 6.094 625 HA GLU 84 HA GLU 84 -9.356 -25.245 8.759 626 HB2 GLU 84 1HB GLU 84 -11.190 -26.350 7.288 627 HB3 GLU 84 2HB GLU 84 -10.140 -27.760 7.319 628 HG2 GLU 84 1HG GLU 84 -11.634 -28.128 9.056 629 HG3 GLU 84 2HG GLU 84 -10.188 -27.519 9.860 630 H TRP 85 H TRP 85 -7.667 -25.765 9.964 631 HA TRP 85 HA TRP 85 -6.071 -28.118 9.235 632 HB2 TRP 85 1HB TRP 85 -4.816 -26.180 8.448 633 HB3 TRP 85 2HB TRP 85 -4.950 -25.423 10.033 634 HD1 TRP 85 HD TRP 85 -3.709 -26.922 12.095 635 HE1 TRP 85 1HE TRP 85 -1.434 -28.124 11.998 636 HE3 TRP 85 3HE TRP 85 -3.205 -27.299 7.021 637 HZ2 TRP 85 2HZ TRP 85 0.339 -29.101 10.031 638 HZ3 TRP 85 3HZ TRP 85 -1.189 -28.381 6.113 639 HH2 TRP 85 HH TRP 85 0.545 -29.262 7.589
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