NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18261 | 2dk4 | 11355 | 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 -20.315 2.297 -23.024 2 HA2 GLY 1 1HA GLY 1 -18.578 3.796 -21.157 3 HA3 GLY 1 2HA GLY 1 -19.172 2.167 -20.899 4 H SER 2 H SER 2 -17.015 4.199 -22.934 5 HA SER 2 HA SER 2 -15.364 1.848 -23.276 6 HB2 SER 2 1HB SER 2 -16.732 3.362 -25.449 7 HB3 SER 2 2HB SER 2 -15.031 3.048 -25.730 8 HG SER 2 HG SER 2 -17.203 1.270 -25.685 9 H SER 3 H SER 3 -13.111 2.557 -24.197 10 HA SER 3 HA SER 3 -12.536 5.323 -23.659 11 HB2 SER 3 1HB SER 3 -12.282 4.196 -21.447 12 HB3 SER 3 2HB SER 3 -11.142 3.066 -22.151 13 HG SER 3 HG SER 3 -10.211 5.480 -22.811 14 H GLY 4 H GLY 4 -10.978 2.066 -24.162 15 HA2 GLY 4 1HA GLY 4 -9.980 2.828 -26.739 16 HA3 GLY 4 2HA GLY 4 -8.727 2.830 -25.514 17 H SER 5 H SER 5 -9.131 1.012 -27.876 18 HA SER 5 HA SER 5 -8.867 -1.428 -26.366 19 HB2 SER 5 1HB SER 5 -10.920 -0.986 -28.560 20 HB3 SER 5 2HB SER 5 -10.310 -2.589 -28.202 21 HG SER 5 HG SER 5 -11.235 -2.550 -26.176 22 H SER 6 H SER 6 -6.599 -1.162 -26.945 23 HA SER 6 HA SER 6 -6.062 -2.245 -29.526 24 HB2 SER 6 1HB SER 6 -6.192 0.353 -29.747 25 HB3 SER 6 2HB SER 6 -4.687 0.377 -28.848 26 HG SER 6 HG SER 6 -4.331 -1.462 -30.757 27 H GLY 7 H GLY 7 -4.489 -0.417 -26.791 28 HA2 GLY 7 1HA GLY 7 -3.253 -1.625 -25.132 29 HA3 GLY 7 2HA GLY 7 -2.748 -2.765 -26.364 30 H THR 8 H THR 8 -1.140 -0.999 -24.501 31 HA THR 8 HA THR 8 0.628 0.051 -26.558 32 HB THR 8 HB THR 8 -0.606 1.718 -24.305 33 HG1 THR 8 1HG THR 8 -1.083 2.965 -26.379 34 HG21 THR 8 1HG2 THR 8 1.771 2.357 -24.534 35 HG22 THR 8 2HG2 THR 8 1.621 2.361 -26.308 36 HG23 THR 8 3HG2 THR 8 0.760 3.581 -25.338 37 H SER 9 H SER 9 0.162 -0.028 -22.956 38 HA SER 9 HA SER 9 1.484 -0.663 -21.357 39 HB2 SER 9 1HB SER 9 1.354 -2.817 -22.928 40 HB3 SER 9 2HB SER 9 3.061 -2.496 -23.164 41 HG SER 9 HG SER 9 3.505 -3.099 -21.136 42 H SER 10 H SER 10 2.475 1.509 -21.360 43 HA SER 10 HA SER 10 5.267 1.338 -21.514 44 HB2 SER 10 1HB SER 10 4.478 1.723 -23.983 45 HB3 SER 10 2HB SER 10 4.108 3.356 -23.462 46 HG SER 10 HG SER 10 6.421 2.601 -24.333 47 H ASN 11 H ASN 11 6.282 3.515 -20.855 48 HA ASN 11 HA ASN 11 5.212 4.469 -18.626 49 HB2 ASN 11 1HB ASN 11 7.086 5.594 -20.681 50 HB3 ASN 11 2HB ASN 11 6.429 6.765 -19.555 51 HD21 ASN 11 1HD2 ASN 11 8.745 4.396 -20.096 52 HD22 ASN 11 2HD2 ASN 11 9.376 4.211 -18.493 53 HA PRO 12 HA PRO 12 1.766 6.827 -20.039 54 HB2 PRO 12 1HB PRO 12 0.955 7.855 -17.641 55 HB3 PRO 12 2HB PRO 12 0.512 6.253 -18.195 56 HG2 PRO 12 1HG PRO 12 2.493 7.022 -16.139 57 HG3 PRO 12 2HG PRO 12 1.737 5.464 -16.406 58 HD2 PRO 12 1HD PRO 12 4.407 6.222 -17.129 59 HD3 PRO 12 2HD PRO 12 3.612 4.704 -17.499 60 H VAL 13 H VAL 13 4.124 8.325 -17.922 61 HA VAL 13 HA VAL 13 4.741 10.466 -17.744 62 HB VAL 13 HB VAL 13 5.984 9.548 -19.669 63 HG11 VAL 13 1HG1 VAL 13 5.270 10.479 -21.963 64 HG12 VAL 13 2HG1 VAL 13 4.374 9.084 -21.316 65 HG13 VAL 13 3HG1 VAL 13 3.670 10.716 -21.221 66 HG21 VAL 13 1HG2 VAL 13 5.484 12.373 -19.111 67 HG22 VAL 13 2HG2 VAL 13 7.019 11.514 -19.383 68 HG23 VAL 13 3HG2 VAL 13 6.069 12.101 -20.770 69 H LEU 14 H LEU 14 1.951 10.246 -17.450 70 HA LEU 14 HA LEU 14 1.206 12.907 -18.154 71 HB2 LEU 14 1HB LEU 14 0.688 11.057 -20.107 72 HB3 LEU 14 2HB LEU 14 -0.811 11.045 -19.199 73 HG LEU 14 HG LEU 14 -1.038 12.602 -20.993 74 HD11 LEU 14 1HD1 LEU 14 -2.264 13.756 -19.539 75 HD12 LEU 14 2HD1 LEU 14 -1.099 13.483 -18.221 76 HD13 LEU 14 3HD1 LEU 14 -0.864 14.839 -19.350 77 HD21 LEU 14 1HD2 LEU 14 1.183 14.375 -20.073 78 HD22 LEU 14 2HD2 LEU 14 1.588 12.928 -21.028 79 HD23 LEU 14 3HD2 LEU 14 0.483 14.154 -21.695 80 H GLU 15 H GLU 15 0.061 13.689 -16.461 81 HA GLU 15 HA GLU 15 -1.292 13.770 -14.752 82 HB2 GLU 15 1HB GLU 15 -2.572 11.899 -16.222 83 HB3 GLU 15 2HB GLU 15 -2.147 10.892 -14.853 84 HG2 GLU 15 1HG GLU 15 -4.003 11.731 -13.837 85 HG3 GLU 15 2HG GLU 15 -3.078 13.202 -13.605 86 H LEU 16 H LEU 16 -1.428 13.032 -12.423 87 HA LEU 16 HA LEU 16 0.566 11.058 -11.686 88 HB2 LEU 16 1HB LEU 16 0.836 13.990 -11.248 89 HB3 LEU 16 2HB LEU 16 1.310 12.925 -9.939 90 HG LEU 16 HG LEU 16 2.376 12.527 -12.733 91 HD11 LEU 16 1HD1 LEU 16 4.425 13.803 -11.513 92 HD12 LEU 16 2HD1 LEU 16 3.243 14.601 -12.579 93 HD13 LEU 16 3HD1 LEU 16 3.042 14.677 -10.812 94 HD21 LEU 16 1HD2 LEU 16 4.204 11.943 -10.594 95 HD22 LEU 16 2HD2 LEU 16 2.650 11.127 -10.297 96 HD23 LEU 16 3HD2 LEU 16 3.518 10.858 -11.827 97 H GLU 17 H GLU 17 -0.749 9.689 -10.583 98 HA GLU 17 HA GLU 17 -2.105 8.939 -9.062 99 HB2 GLU 17 1HB GLU 17 -1.617 11.618 -7.687 100 HB3 GLU 17 2HB GLU 17 -2.439 10.265 -6.935 101 HG2 GLU 17 1HG GLU 17 -0.448 9.351 -6.364 102 HG3 GLU 17 2HG GLU 17 0.002 9.242 -8.054 103 H LEU 18 H LEU 18 -4.303 8.630 -9.176 104 HA LEU 18 HA LEU 18 -6.193 10.638 -8.947 105 HB2 LEU 18 1HB LEU 18 -4.961 10.614 -11.511 106 HB3 LEU 18 2HB LEU 18 -6.592 10.003 -11.701 107 HG LEU 18 HG LEU 18 -5.950 12.603 -10.288 108 HD11 LEU 18 1HD1 LEU 18 -7.025 13.447 -12.591 109 HD12 LEU 18 2HD1 LEU 18 -5.273 13.251 -12.351 110 HD13 LEU 18 3HD1 LEU 18 -6.203 11.984 -13.185 111 HD21 LEU 18 1HD2 LEU 18 -8.120 11.502 -9.750 112 HD22 LEU 18 2HD2 LEU 18 -8.287 13.099 -10.516 113 HD23 LEU 18 3HD2 LEU 18 -8.560 11.622 -11.470 114 H ALA 19 H ALA 19 -8.212 9.520 -10.692 115 HA ALA 19 HA ALA 19 -8.560 6.989 -9.287 116 HB1 ALA 19 1HB ALA 19 -10.256 9.185 -10.185 117 HB2 ALA 19 2HB ALA 19 -10.874 7.616 -10.755 118 HB3 ALA 19 3HB ALA 19 -10.605 7.889 -9.017 119 H GLU 20 H GLU 20 -6.563 6.784 -11.181 120 HA GLU 20 HA GLU 20 -7.938 5.192 -13.184 121 HB2 GLU 20 1HB GLU 20 -6.650 7.625 -13.762 122 HB3 GLU 20 2HB GLU 20 -5.473 6.410 -14.221 123 HG2 GLU 20 1HG GLU 20 -6.639 6.055 -16.130 124 HG3 GLU 20 2HG GLU 20 -7.962 5.422 -15.172 125 H GLU 21 H GLU 21 -7.402 3.194 -12.294 126 HA GLU 21 HA GLU 21 -4.553 2.783 -11.827 127 HB2 GLU 21 1HB GLU 21 -5.365 0.802 -10.415 128 HB3 GLU 21 2HB GLU 21 -5.694 2.398 -9.771 129 HG2 GLU 21 1HG GLU 21 -7.995 2.275 -10.247 130 HG3 GLU 21 2HG GLU 21 -7.776 1.126 -11.552 131 H LYS 22 H LYS 22 -6.654 2.498 -14.257 132 HA LYS 22 HA LYS 22 -6.750 -0.187 -14.936 133 HB2 LYS 22 1HB LYS 22 -7.794 2.071 -15.956 134 HB3 LYS 22 2HB LYS 22 -6.486 1.846 -17.099 135 HG2 LYS 22 1HG LYS 22 -7.501 0.053 -18.078 136 HG3 LYS 22 2HG LYS 22 -7.872 -0.688 -16.534 137 HD2 LYS 22 1HD LYS 22 -9.892 0.612 -16.277 138 HD3 LYS 22 2HD LYS 22 -9.446 1.702 -17.574 139 HE2 LYS 22 1HE LYS 22 -9.765 -1.258 -18.154 140 HE3 LYS 22 2HE LYS 22 -11.189 -0.245 -18.027 141 HZ1 LYS 22 1HZ LYS 22 -9.916 -0.526 -20.260 142 HZ2 LYS 22 2HZ LYS 22 -10.625 0.894 -19.877 143 HZ3 LYS 22 3HZ LYS 22 -9.014 0.708 -19.685 144 H LEU 23 H LEU 23 -5.546 -0.374 -17.510 145 HA LEU 23 HA LEU 23 -3.670 -1.097 -18.423 146 HB2 LEU 23 1HB LEU 23 -3.027 1.497 -17.245 147 HB3 LEU 23 2HB LEU 23 -1.616 0.479 -17.454 148 HG LEU 23 HG LEU 23 -3.240 0.398 -19.844 149 HD11 LEU 23 1HD1 LEU 23 -2.632 2.878 -20.419 150 HD12 LEU 23 2HD1 LEU 23 -4.136 2.498 -19.546 151 HD13 LEU 23 3HD1 LEU 23 -2.717 3.101 -18.655 152 HD21 LEU 23 1HD2 LEU 23 -0.431 0.887 -19.041 153 HD22 LEU 23 2HD2 LEU 23 -1.105 -0.155 -20.317 154 HD23 LEU 23 3HD2 LEU 23 -0.942 1.596 -20.591 155 HA PRO 24 HA PRO 24 -1.644 -3.775 -15.713 156 HB2 PRO 24 1HB PRO 24 0.708 -4.343 -16.985 157 HB3 PRO 24 2HB PRO 24 -0.823 -5.070 -17.431 158 HG2 PRO 24 1HG PRO 24 0.692 -2.944 -18.817 159 HG3 PRO 24 2HG PRO 24 -0.586 -3.966 -19.442 160 HD2 PRO 24 1HD PRO 24 -0.819 -1.220 -18.647 161 HD3 PRO 24 2HD PRO 24 -2.120 -2.276 -19.162 162 H MET 25 H MET 25 0.911 -4.315 -14.934 163 HA MET 25 HA MET 25 1.260 -2.567 -12.920 164 HB2 MET 25 1HB MET 25 2.541 -4.835 -13.891 165 HB3 MET 25 2HB MET 25 3.788 -3.628 -14.136 166 HG2 MET 25 1HG MET 25 3.320 -2.910 -11.664 167 HG3 MET 25 2HG MET 25 2.449 -4.424 -11.520 168 HE1 MET 25 1HE MET 25 3.511 -5.360 -9.914 169 HE2 MET 25 2HE MET 25 4.957 -6.383 -10.083 170 HE3 MET 25 3HE MET 25 5.113 -4.715 -9.481 171 H THR 26 H THR 26 1.324 -0.351 -13.147 172 HA THR 26 HA THR 26 2.973 0.764 -15.284 173 HB THR 26 HB THR 26 1.790 2.908 -14.334 174 HG1 THR 26 1HG THR 26 0.750 2.308 -12.468 175 HG21 THR 26 1HG2 THR 26 -0.562 1.487 -15.069 176 HG22 THR 26 2HG2 THR 26 0.449 2.488 -16.138 177 HG23 THR 26 3HG2 THR 26 0.752 0.739 -16.008 178 H LEU 27 H LEU 27 2.806 0.465 -11.733 179 HA LEU 27 HA LEU 27 5.311 1.987 -11.608 180 HB2 LEU 27 1HB LEU 27 3.670 1.318 -9.203 181 HB3 LEU 27 2HB LEU 27 4.774 2.652 -9.470 182 HG LEU 27 HG LEU 27 2.142 2.429 -10.939 183 HD11 LEU 27 1HD1 LEU 27 1.830 4.374 -8.967 184 HD12 LEU 27 2HD1 LEU 27 1.063 2.769 -9.025 185 HD13 LEU 27 3HD1 LEU 27 2.582 2.997 -8.125 186 HD21 LEU 27 1HD2 LEU 27 4.133 4.654 -10.479 187 HD22 LEU 27 2HD2 LEU 27 3.568 3.964 -12.020 188 HD23 LEU 27 3HD2 LEU 27 2.466 4.950 -11.029 189 H SER 28 H SER 28 7.136 0.812 -11.446 190 HA SER 28 HA SER 28 6.954 -1.967 -11.012 191 HB2 SER 28 1HB SER 28 9.352 -0.090 -11.180 192 HB3 SER 28 2HB SER 28 9.486 -1.836 -11.108 193 HG SER 28 HG SER 28 8.730 -2.040 -13.151 194 H ARG 29 H ARG 29 8.531 -3.048 -9.325 195 HA ARG 29 HA ARG 29 7.624 -2.736 -6.878 196 HB2 ARG 29 1HB ARG 29 9.985 -3.560 -6.102 197 HB3 ARG 29 2HB ARG 29 9.099 -4.562 -7.234 198 HG2 ARG 29 1HG ARG 29 10.957 -4.468 -8.547 199 HG3 ARG 29 2HG ARG 29 10.460 -2.834 -8.941 200 HD2 ARG 29 1HD ARG 29 11.733 -2.251 -6.646 201 HD3 ARG 29 2HD ARG 29 12.566 -3.756 -6.982 202 HE ARG 29 HE ARG 29 12.437 -1.982 -9.307 203 HH11 ARG 29 2HH2 ARG 29 14.238 -2.771 -6.389 204 HH12 ARG 29 1HH2 ARG 29 15.721 -2.085 -6.965 205 HH21 ARG 29 2HH1 ARG 29 14.392 -1.076 -10.067 206 HH22 ARG 29 1HH1 ARG 29 15.809 -1.114 -9.072 207 H GLN 30 H GLN 30 10.632 -1.101 -8.123 208 HA GLN 30 HA GLN 30 11.151 0.323 -5.831 209 HB2 GLN 30 1HB GLN 30 12.617 -0.026 -7.923 210 HB3 GLN 30 2HB GLN 30 11.741 1.305 -8.650 211 HG2 GLN 30 1HG GLN 30 12.531 2.876 -7.021 212 HG3 GLN 30 2HG GLN 30 13.028 1.612 -5.914 213 HE21 GLN 30 1HE2 GLN 30 13.664 3.105 -9.043 214 HE22 GLN 30 2HE2 GLN 30 15.344 2.698 -9.162 215 H GLU 31 H GLU 31 9.162 1.171 -8.729 216 HA GLU 31 HA GLU 31 8.630 3.772 -7.943 217 HB2 GLU 31 1HB GLU 31 8.246 2.660 -10.227 218 HB3 GLU 31 2HB GLU 31 6.770 1.987 -9.564 219 HG2 GLU 31 1HG GLU 31 6.240 4.072 -10.738 220 HG3 GLU 31 2HG GLU 31 5.963 4.297 -9.022 221 H VAL 32 H VAL 32 7.412 0.679 -6.816 222 HA VAL 32 HA VAL 32 5.091 1.917 -5.579 223 HB VAL 32 HB VAL 32 6.074 -0.868 -6.059 224 HG11 VAL 32 1HG1 VAL 32 5.546 -1.135 -3.788 225 HG12 VAL 32 2HG1 VAL 32 4.173 -0.005 -3.877 226 HG13 VAL 32 3HG1 VAL 32 4.055 -1.611 -4.635 227 HG21 VAL 32 1HG2 VAL 32 4.342 0.727 -7.414 228 HG22 VAL 32 2HG2 VAL 32 4.276 -1.052 -7.422 229 HG23 VAL 32 3HG2 VAL 32 3.217 -0.126 -6.330 230 H ILE 33 H ILE 33 8.358 0.716 -4.856 231 HA ILE 33 HA ILE 33 7.988 0.629 -2.049 232 HB ILE 33 HB ILE 33 10.347 0.588 -3.902 233 HG12 ILE 33 1HG1 ILE 33 9.520 -1.479 -1.867 234 HG13 ILE 33 2HG1 ILE 33 8.752 -1.400 -3.440 235 HG21 ILE 33 1HG2 ILE 33 10.354 1.372 -1.092 236 HG22 ILE 33 2HG2 ILE 33 11.361 -0.061 -1.409 237 HG23 ILE 33 3HG2 ILE 33 11.649 1.446 -2.311 238 HD11 ILE 33 1HD1 ILE 33 10.636 -2.978 -3.513 239 HD12 ILE 33 2HD1 ILE 33 11.003 -1.568 -4.536 240 HD13 ILE 33 3HD1 ILE 33 11.745 -1.717 -2.925 241 H ARG 34 H ARG 34 9.249 3.075 -4.384 242 HA ARG 34 HA ARG 34 10.248 4.886 -2.709 243 HB2 ARG 34 1HB ARG 34 9.674 4.881 -5.356 244 HB3 ARG 34 2HB ARG 34 8.371 5.928 -4.831 245 HG2 ARG 34 1HG ARG 34 9.979 7.558 -5.103 246 HG3 ARG 34 2HG ARG 34 10.383 7.108 -3.458 247 HD2 ARG 34 1HD ARG 34 12.270 5.839 -4.119 248 HD3 ARG 34 2HD ARG 34 11.664 5.589 -5.745 249 HE ARG 34 HE ARG 34 11.976 8.326 -5.648 250 HH11 ARG 34 2HH2 ARG 34 14.115 5.640 -4.877 251 HH12 ARG 34 1HH2 ARG 34 15.559 6.508 -5.281 252 HH21 ARG 34 2HH1 ARG 34 13.880 9.471 -6.180 253 HH22 ARG 34 1HH1 ARG 34 15.424 8.702 -6.027 254 H ARG 35 H ARG 35 6.779 4.907 -3.843 255 HA ARG 35 HA ARG 35 5.967 6.876 -2.125 256 HB2 ARG 35 1HB ARG 35 4.486 4.565 -3.450 257 HB3 ARG 35 2HB ARG 35 3.633 5.738 -2.467 258 HG2 ARG 35 1HG ARG 35 3.707 7.315 -4.108 259 HG3 ARG 35 2HG ARG 35 5.425 7.078 -4.364 260 HD2 ARG 35 1HD ARG 35 5.074 5.301 -5.931 261 HD3 ARG 35 2HD ARG 35 3.423 5.038 -5.403 262 HE ARG 35 HE ARG 35 2.733 6.705 -6.881 263 HH11 ARG 35 2HH2 ARG 35 6.149 7.171 -6.179 264 HH12 ARG 35 1HH2 ARG 35 6.336 8.468 -7.311 265 HH21 ARG 35 2HH1 ARG 35 2.978 8.417 -8.374 266 HH22 ARG 35 1HH1 ARG 35 4.520 9.182 -8.568 267 H LEU 36 H LEU 36 5.368 3.289 -1.824 268 HA LEU 36 HA LEU 36 4.225 3.182 0.596 269 HB2 LEU 36 1HB LEU 36 6.302 1.360 -0.612 270 HB3 LEU 36 2HB LEU 36 5.434 0.975 0.861 271 HG LEU 36 HG LEU 36 4.118 1.502 -1.818 272 HD11 LEU 36 1HD1 LEU 36 4.562 -1.166 -0.456 273 HD12 LEU 36 2HD1 LEU 36 3.821 -0.868 -2.046 274 HD13 LEU 36 3HD1 LEU 36 5.552 -0.537 -1.795 275 HD21 LEU 36 1HD2 LEU 36 2.148 0.405 -0.683 276 HD22 LEU 36 2HD2 LEU 36 3.029 0.593 0.853 277 HD23 LEU 36 3HD2 LEU 36 2.576 2.030 -0.095 278 H ARG 37 H ARG 37 7.768 3.503 -0.051 279 HA ARG 37 HA ARG 37 8.584 3.342 2.546 280 HB2 ARG 37 1HB ARG 37 9.661 4.371 -0.010 281 HB3 ARG 37 2HB ARG 37 10.305 5.238 1.371 282 HG2 ARG 37 1HG ARG 37 11.177 3.228 2.369 283 HG3 ARG 37 2HG ARG 37 10.226 2.196 1.319 284 HD2 ARG 37 1HD ARG 37 11.948 2.129 -0.156 285 HD3 ARG 37 2HD ARG 37 11.786 3.855 -0.413 286 HE ARG 37 HE ARG 37 13.767 2.516 1.291 287 HH11 ARG 37 2HH2 ARG 37 12.118 5.547 0.597 288 HH12 ARG 37 1HH2 ARG 37 13.353 6.530 1.310 289 HH21 ARG 37 2HH1 ARG 37 15.396 3.813 2.233 290 HH22 ARG 37 1HH1 ARG 37 15.230 5.537 2.247 291 H GLU 38 H GLU 38 8.064 6.381 0.592 292 HA GLU 38 HA GLU 38 8.367 8.105 2.704 293 HB2 GLU 38 1HB GLU 38 7.019 8.258 0.011 294 HB3 GLU 38 2HB GLU 38 6.765 9.575 1.140 295 HG2 GLU 38 1HG GLU 38 9.565 8.984 1.217 296 HG3 GLU 38 2HG GLU 38 9.112 8.989 -0.476 297 H ARG 39 H ARG 39 5.820 5.864 2.036 298 HA ARG 39 HA ARG 39 3.887 7.411 3.498 299 HB2 ARG 39 1HB ARG 39 3.681 4.601 2.300 300 HB3 ARG 39 2HB ARG 39 2.341 5.518 2.958 301 HG2 ARG 39 1HG ARG 39 3.762 7.152 1.011 302 HG3 ARG 39 2HG ARG 39 3.373 5.602 0.292 303 HD2 ARG 39 1HD ARG 39 1.136 6.072 0.218 304 HD3 ARG 39 2HD ARG 39 1.118 6.674 1.863 305 HE ARG 39 HE ARG 39 1.533 8.263 -0.584 306 HH11 ARG 39 2HH2 ARG 39 1.785 8.170 2.924 307 HH12 ARG 39 1HH2 ARG 39 1.790 9.893 3.097 308 HH21 ARG 39 2HH1 ARG 39 1.540 10.536 -0.357 309 HH22 ARG 39 1HH1 ARG 39 1.650 11.248 1.218 310 H GLY 40 H GLY 40 6.392 5.114 4.066 311 HA2 GLY 40 1HA GLY 40 7.105 4.335 6.095 312 HA3 GLY 40 2HA GLY 40 5.598 4.832 6.838 313 H GLU 41 H GLU 41 5.017 3.136 3.900 314 HA GLU 41 HA GLU 41 3.980 0.943 5.388 315 HB2 GLU 41 1HB GLU 41 4.103 1.335 2.366 316 HB3 GLU 41 2HB GLU 41 3.087 0.192 3.220 317 HG2 GLU 41 1HG GLU 41 2.790 2.981 4.189 318 HG3 GLU 41 2HG GLU 41 2.351 2.781 2.505 319 HA PRO 42 HA PRO 42 7.254 -1.827 4.730 320 HB2 PRO 42 1HB PRO 42 5.993 -4.251 4.649 321 HB3 PRO 42 2HB PRO 42 6.335 -3.398 6.141 322 HG2 PRO 42 1HG PRO 42 3.755 -3.707 4.732 323 HG3 PRO 42 2HG PRO 42 4.048 -3.243 6.396 324 HD2 PRO 42 1HD PRO 42 3.322 -1.506 4.233 325 HD3 PRO 42 2HD PRO 42 3.728 -1.028 5.869 326 H ILE 43 H ILE 43 8.558 -1.874 3.023 327 HA ILE 43 HA ILE 43 7.515 -1.895 0.448 328 HB ILE 43 HB ILE 43 9.907 -2.461 -0.171 329 HG12 ILE 43 1HG1 ILE 43 10.482 -2.038 2.764 330 HG13 ILE 43 2HG1 ILE 43 10.296 -3.641 2.080 331 HG21 ILE 43 1HG2 ILE 43 9.330 -0.080 1.611 332 HG22 ILE 43 2HG2 ILE 43 10.732 -0.237 0.526 333 HG23 ILE 43 3HG2 ILE 43 9.086 -0.187 -0.149 334 HD11 ILE 43 1HD1 ILE 43 12.594 -1.887 1.964 335 HD12 ILE 43 2HD1 ILE 43 12.448 -3.565 1.388 336 HD13 ILE 43 3HD1 ILE 43 12.028 -2.214 0.308 337 H ARG 44 H ARG 44 8.064 -4.472 2.754 338 HA ARG 44 HA ARG 44 6.981 -6.291 0.834 339 HB2 ARG 44 1HB ARG 44 9.409 -6.550 0.423 340 HB3 ARG 44 2HB ARG 44 9.709 -6.768 2.136 341 HG2 ARG 44 1HG ARG 44 9.687 -8.963 1.064 342 HG3 ARG 44 2HG ARG 44 8.286 -8.839 2.109 343 HD2 ARG 44 1HD ARG 44 6.785 -8.804 0.339 344 HD3 ARG 44 2HD ARG 44 7.874 -7.921 -0.713 345 HE ARG 44 HE ARG 44 7.682 -10.826 -0.449 346 HH11 ARG 44 2HH2 ARG 44 9.803 -8.170 -1.359 347 HH12 ARG 44 1HH2 ARG 44 10.799 -9.148 -2.385 348 HH21 ARG 44 2HH1 ARG 44 8.995 -12.117 -1.802 349 HH22 ARG 44 1HH1 ARG 44 10.337 -11.408 -2.638 350 H LEU 45 H LEU 45 5.294 -7.163 1.998 351 HA LEU 45 HA LEU 45 5.356 -7.155 4.848 352 HB2 LEU 45 1HB LEU 45 3.415 -7.847 2.702 353 HB3 LEU 45 2HB LEU 45 3.164 -8.568 4.280 354 HG LEU 45 HG LEU 45 3.633 -5.621 4.179 355 HD11 LEU 45 1HD1 LEU 45 2.105 -5.489 2.486 356 HD12 LEU 45 2HD1 LEU 45 1.289 -7.003 2.946 357 HD13 LEU 45 3HD1 LEU 45 1.006 -5.518 3.886 358 HD21 LEU 45 1HD2 LEU 45 3.175 -5.993 6.330 359 HD22 LEU 45 2HD2 LEU 45 1.480 -6.167 5.818 360 HD23 LEU 45 3HD2 LEU 45 2.506 -7.609 6.002 361 H PHE 46 H PHE 46 4.180 -9.535 5.632 362 HA PHE 46 HA PHE 46 6.458 -11.293 5.409 363 HB2 PHE 46 1HB PHE 46 5.236 -10.702 7.571 364 HB3 PHE 46 2HB PHE 46 3.781 -11.434 6.923 365 HD1 PHE 46 1HD PHE 46 7.370 -12.442 7.274 366 HD2 PHE 46 2HD PHE 46 3.293 -13.491 7.814 367 HE1 PHE 46 1HE PHE 46 8.066 -14.661 8.217 368 HE2 PHE 46 2HE PHE 46 3.990 -15.710 8.757 369 HZ PHE 46 HZ PHE 46 6.367 -16.269 8.947 370 H GLY 47 H GLY 47 5.866 -11.567 2.974 371 HA2 GLY 47 1HA GLY 47 5.468 -13.708 1.875 372 HA3 GLY 47 2HA GLY 47 3.954 -13.816 2.751 373 H GLU 48 H GLU 48 5.584 -11.121 0.926 374 HA GLU 48 HA GLU 48 3.140 -10.977 -0.662 375 HB2 GLU 48 1HB GLU 48 4.561 -8.902 0.885 376 HB3 GLU 48 2HB GLU 48 4.267 -8.423 -0.775 377 HG2 GLU 48 1HG GLU 48 1.828 -9.182 -0.441 378 HG3 GLU 48 2HG GLU 48 2.195 -9.343 1.265 379 H THR 49 H THR 49 3.531 -9.847 -2.862 380 HA THR 49 HA THR 49 6.255 -10.395 -3.823 381 HB THR 49 HB THR 49 4.685 -12.310 -4.340 382 HG1 THR 49 1HG THR 49 5.139 -12.011 -6.734 383 HG21 THR 49 1HG2 THR 49 3.260 -10.134 -5.962 384 HG22 THR 49 2HG2 THR 49 2.980 -11.883 -6.140 385 HG23 THR 49 3HG2 THR 49 2.551 -11.063 -4.619 386 H ASP 50 H ASP 50 6.358 -9.497 -6.252 387 HA ASP 50 HA ASP 50 6.390 -6.817 -6.032 388 HB2 ASP 50 1HB ASP 50 5.999 -8.590 -8.480 389 HB3 ASP 50 2HB ASP 50 6.240 -6.861 -8.624 390 H TYR 51 H TYR 51 3.801 -8.955 -7.415 391 HA TYR 51 HA TYR 51 2.090 -6.919 -8.263 392 HB2 TYR 51 1HB TYR 51 2.243 -9.613 -8.493 393 HB3 TYR 51 2HB TYR 51 1.217 -9.596 -7.073 394 HD1 TYR 51 2HD TYR 51 1.305 -7.655 -10.295 395 HD2 TYR 51 1HD TYR 51 -1.002 -10.012 -7.570 396 HE1 TYR 51 2HE TYR 51 -0.744 -7.370 -11.772 397 HE2 TYR 51 1HE TYR 51 -3.044 -9.718 -9.057 398 HH TYR 51 HH TYR 51 -3.382 -9.271 -11.580 399 H ASP 52 H ASP 52 1.804 -9.020 -5.302 400 HA ASP 52 HA ASP 52 -0.291 -7.824 -4.169 401 HB2 ASP 52 1HB ASP 52 1.662 -9.637 -3.370 402 HB3 ASP 52 2HB ASP 52 1.924 -8.318 -2.246 403 H ALA 53 H ALA 53 3.215 -6.945 -3.664 404 HA ALA 53 HA ALA 53 2.762 -4.744 -2.031 405 HB1 ALA 53 1HB ALA 53 5.075 -4.176 -2.561 406 HB2 ALA 53 2HB ALA 53 4.929 -5.940 -2.378 407 HB3 ALA 53 3HB ALA 53 5.034 -5.220 -4.002 408 H PHE 54 H PHE 54 3.132 -5.006 -5.626 409 HA PHE 54 HA PHE 54 2.997 -2.309 -6.181 410 HB2 PHE 54 1HB PHE 54 3.576 -3.874 -7.924 411 HB3 PHE 54 2HB PHE 54 2.226 -4.925 -7.544 412 HD1 PHE 54 2HD PHE 54 2.696 -1.367 -8.606 413 HD2 PHE 54 1HD PHE 54 0.573 -5.003 -9.134 414 HE1 PHE 54 2HE PHE 54 1.359 -0.318 -10.453 415 HE2 PHE 54 1HE PHE 54 -0.764 -3.955 -10.981 416 HZ PHE 54 HZ PHE 54 -0.355 -1.625 -11.618 417 H GLN 55 H GLN 55 0.281 -4.729 -6.372 418 HA GLN 55 HA GLN 55 -1.688 -2.947 -6.912 419 HB2 GLN 55 1HB GLN 55 -1.803 -5.510 -5.266 420 HB3 GLN 55 2HB GLN 55 -3.228 -4.662 -5.834 421 HG2 GLN 55 1HG GLN 55 -1.055 -5.400 -7.813 422 HG3 GLN 55 2HG GLN 55 -2.181 -6.631 -7.278 423 HE21 GLN 55 1HE2 GLN 55 -4.465 -6.244 -7.521 424 HE22 GLN 55 2HE2 GLN 55 -5.059 -5.283 -8.834 425 H ARG 56 H ARG 56 -0.466 -4.016 -3.674 426 HA ARG 56 HA ARG 56 -2.250 -2.797 -2.091 427 HB2 ARG 56 1HB ARG 56 -0.078 -4.175 -1.537 428 HB3 ARG 56 2HB ARG 56 0.731 -2.621 -1.492 429 HG2 ARG 56 1HG ARG 56 -0.641 -1.835 0.327 430 HG3 ARG 56 2HG ARG 56 -1.803 -3.130 0.116 431 HD2 ARG 56 1HD ARG 56 1.027 -3.973 0.664 432 HD3 ARG 56 2HD ARG 56 0.182 -3.198 1.989 433 HE ARG 56 HE ARG 56 -0.313 -5.857 0.974 434 HH11 ARG 56 2HH2 ARG 56 -1.959 -3.069 2.354 435 HH12 ARG 56 1HH2 ARG 56 -3.263 -4.003 3.008 436 HH21 ARG 56 2HH1 ARG 56 -2.034 -7.088 1.836 437 HH22 ARG 56 1HH1 ARG 56 -3.306 -6.304 2.712 438 H LEU 57 H LEU 57 0.889 -1.324 -3.227 439 HA LEU 57 HA LEU 57 0.316 1.222 -2.215 440 HB2 LEU 57 1HB LEU 57 2.557 0.561 -2.635 441 HB3 LEU 57 2HB LEU 57 2.219 0.206 -4.318 442 HG LEU 57 HG LEU 57 3.503 2.359 -3.741 443 HD11 LEU 57 1HD1 LEU 57 3.050 2.965 -5.834 444 HD12 LEU 57 2HD1 LEU 57 1.861 1.641 -5.861 445 HD13 LEU 57 3HD1 LEU 57 1.342 3.296 -5.456 446 HD21 LEU 57 1HD2 LEU 57 0.706 3.170 -2.928 447 HD22 LEU 57 2HD2 LEU 57 2.207 3.268 -1.978 448 HD23 LEU 57 3HD2 LEU 57 1.971 4.337 -3.381 449 H ARG 58 H ARG 58 -0.035 -0.200 -5.531 450 HA ARG 58 HA ARG 58 -0.853 1.959 -6.860 451 HB2 ARG 58 1HB ARG 58 -1.029 -0.882 -7.187 452 HB3 ARG 58 2HB ARG 58 -2.624 -0.255 -7.553 453 HG2 ARG 58 1HG ARG 58 -0.140 1.038 -8.738 454 HG3 ARG 58 2HG ARG 58 -0.849 -0.381 -9.482 455 HD2 ARG 58 1HD ARG 58 -3.098 1.184 -9.117 456 HD3 ARG 58 2HD ARG 58 -1.881 2.417 -9.377 457 HE ARG 58 HE ARG 58 -1.884 1.820 -11.625 458 HH11 ARG 58 2HH2 ARG 58 -2.816 -0.998 -9.734 459 HH12 ARG 58 1HH2 ARG 58 -3.058 -2.007 -11.120 460 HH21 ARG 58 2HH1 ARG 58 -2.204 0.488 -13.455 461 HH22 ARG 58 1HH1 ARG 58 -2.708 -1.156 -13.251 462 H LYS 59 H LYS 59 -2.539 0.283 -4.265 463 HA LYS 59 HA LYS 59 -5.061 1.581 -4.910 464 HB2 LYS 59 1HB LYS 59 -4.465 -0.894 -3.886 465 HB3 LYS 59 2HB LYS 59 -4.840 0.000 -2.427 466 HG2 LYS 59 1HG LYS 59 -6.993 0.771 -3.469 467 HG3 LYS 59 2HG LYS 59 -6.620 -0.159 -4.907 468 HD2 LYS 59 1HD LYS 59 -6.660 -2.260 -3.628 469 HD3 LYS 59 2HD LYS 59 -6.840 -1.387 -2.119 470 HE2 LYS 59 1HE LYS 59 -9.001 -0.366 -3.279 471 HE3 LYS 59 2HE LYS 59 -8.865 -1.749 -4.347 472 HZ1 LYS 59 1HZ LYS 59 -8.547 -2.530 -1.664 473 HZ2 LYS 59 2HZ LYS 59 -9.952 -1.719 -1.849 474 HZ3 LYS 59 3HZ LYS 59 -9.645 -3.040 -2.760 475 H ILE 60 H ILE 60 -2.326 1.698 -2.612 476 HA ILE 60 HA ILE 60 -3.516 3.404 -0.751 477 HB ILE 60 HB ILE 60 -0.672 2.811 -1.528 478 HG12 ILE 60 1HG1 ILE 60 -2.405 2.066 0.845 479 HG13 ILE 60 2HG1 ILE 60 -1.863 1.002 -0.438 480 HG21 ILE 60 1HG2 ILE 60 0.144 4.114 0.292 481 HG22 ILE 60 2HG2 ILE 60 -0.888 5.172 -0.699 482 HG23 ILE 60 3HG2 ILE 60 -1.504 4.510 0.834 483 HD11 ILE 60 1HD1 ILE 60 0.008 2.497 1.456 484 HD12 ILE 60 2HD1 ILE 60 -0.478 0.795 1.642 485 HD13 ILE 60 3HD1 ILE 60 0.484 1.297 0.231 486 H GLU 61 H GLU 61 -1.618 4.041 -3.758 487 HA GLU 61 HA GLU 61 -1.415 6.746 -3.483 488 HB2 GLU 61 1HB GLU 61 -1.744 5.047 -5.992 489 HB3 GLU 61 2HB GLU 61 -1.308 6.744 -6.033 490 HG2 GLU 61 1HG GLU 61 0.270 4.693 -4.419 491 HG3 GLU 61 2HG GLU 61 0.641 5.055 -6.093 492 H ILE 62 H ILE 62 -4.225 4.752 -4.242 493 HA ILE 62 HA ILE 62 -5.744 6.899 -5.366 494 HB ILE 62 HB ILE 62 -6.537 4.158 -4.374 495 HG12 ILE 62 1HG1 ILE 62 -6.001 5.150 -7.190 496 HG13 ILE 62 2HG1 ILE 62 -4.905 4.164 -6.242 497 HG21 ILE 62 1HG2 ILE 62 -8.305 5.259 -6.353 498 HG22 ILE 62 2HG2 ILE 62 -8.664 4.687 -4.707 499 HG23 ILE 62 3HG2 ILE 62 -8.178 6.378 -4.975 500 HD11 ILE 62 1HD1 ILE 62 -7.772 3.317 -6.836 501 HD12 ILE 62 2HD1 ILE 62 -6.393 2.881 -7.874 502 HD13 ILE 62 3HD1 ILE 62 -6.455 2.310 -6.189 503 H LEU 63 H LEU 63 -5.920 5.017 -2.258 504 HA LEU 63 HA LEU 63 -7.843 6.591 -1.069 505 HB2 LEU 63 1HB LEU 63 -5.554 5.145 0.271 506 HB3 LEU 63 2HB LEU 63 -7.050 5.655 1.029 507 HG LEU 63 HG LEU 63 -7.288 3.856 -1.336 508 HD11 LEU 63 1HD1 LEU 63 -5.726 3.164 1.049 509 HD12 LEU 63 2HD1 LEU 63 -7.049 2.027 0.697 510 HD13 LEU 63 3HD1 LEU 63 -5.818 2.371 -0.542 511 HD21 LEU 63 1HD2 LEU 63 -9.339 4.467 -0.395 512 HD22 LEU 63 2HD2 LEU 63 -9.027 2.840 0.255 513 HD23 LEU 63 3HD2 LEU 63 -8.743 4.273 1.271 514 H THR 64 H THR 64 -4.265 6.769 -0.429 515 HA THR 64 HA THR 64 -4.668 9.649 0.055 516 HB THR 64 HB THR 64 -2.446 8.005 1.308 517 HG1 THR 64 1HG THR 64 -4.065 7.519 2.979 518 HG21 THR 64 1HG2 THR 64 -3.577 10.670 1.612 519 HG22 THR 64 2HG2 THR 64 -3.824 9.751 3.116 520 HG23 THR 64 3HG2 THR 64 -2.183 9.959 2.460 521 HA PRO 65 HA PRO 65 -1.976 9.548 -3.455 522 HB2 PRO 65 1HB PRO 65 -2.909 11.840 -4.614 523 HB3 PRO 65 2HB PRO 65 -3.556 10.252 -4.974 524 HG2 PRO 65 1HG PRO 65 -4.735 12.403 -3.323 525 HG3 PRO 65 2HG PRO 65 -5.523 11.010 -4.037 526 HD2 PRO 65 1HD PRO 65 -4.786 11.341 -1.285 527 HD3 PRO 65 2HD PRO 65 -5.467 9.905 -2.022 528 H GLU 66 H GLU 66 -2.788 12.472 -1.657 529 HA GLU 66 HA GLU 66 -0.074 12.758 -0.945 530 HB2 GLU 66 1HB GLU 66 -0.994 14.102 -3.364 531 HB3 GLU 66 2HB GLU 66 -0.524 15.286 -2.161 532 HG2 GLU 66 1HG GLU 66 1.670 14.124 -1.868 533 HG3 GLU 66 2HG GLU 66 1.200 12.929 -3.060 534 H VAL 67 H VAL 67 -1.245 12.619 1.117 535 HA VAL 67 HA VAL 67 -2.492 13.392 2.806 536 HB VAL 67 HB VAL 67 -0.976 15.890 2.026 537 HG11 VAL 67 1HG1 VAL 67 -1.568 16.861 3.977 538 HG12 VAL 67 2HG1 VAL 67 -2.948 15.738 3.908 539 HG13 VAL 67 3HG1 VAL 67 -1.513 15.326 4.878 540 HG21 VAL 67 1HG2 VAL 67 0.174 13.515 2.489 541 HG22 VAL 67 2HG2 VAL 67 0.897 15.051 3.026 542 HG23 VAL 67 3HG2 VAL 67 -0.025 14.052 4.175 543 H ASN 68 H ASN 68 -4.615 13.149 1.933 544 HA ASN 68 HA ASN 68 -5.948 15.641 1.704 545 HB2 ASN 68 1HB ASN 68 -5.034 14.732 -0.707 546 HB3 ASN 68 2HB ASN 68 -6.532 13.825 -0.629 547 HD21 ASN 68 1HD2 ASN 68 -8.296 14.756 -1.329 548 HD22 ASN 68 2HD2 ASN 68 -8.572 16.453 -1.543 549 H LYS 69 H LYS 69 -7.120 14.782 3.549 550 HA LYS 69 HA LYS 69 -8.080 12.268 3.887 551 HB2 LYS 69 1HB LYS 69 -9.638 13.214 5.457 552 HB3 LYS 69 2HB LYS 69 -8.127 14.095 5.556 553 HG2 LYS 69 1HG LYS 69 -9.916 15.285 3.552 554 HG3 LYS 69 2HG LYS 69 -10.696 15.190 5.118 555 HD2 LYS 69 1HD LYS 69 -9.064 16.551 6.168 556 HD3 LYS 69 2HD LYS 69 -7.854 16.223 4.944 557 HE2 LYS 69 1HE LYS 69 -8.445 18.242 4.059 558 HE3 LYS 69 2HE LYS 69 -9.851 17.408 3.428 559 HZ1 LYS 69 1HZ LYS 69 -10.008 19.481 5.027 560 HZ2 LYS 69 2HZ LYS 69 -11.165 18.331 4.969 561 HZ3 LYS 69 3HZ LYS 69 -10.045 18.303 6.157 562 H GLY 70 H GLY 70 -9.917 11.080 3.297 563 HA2 GLY 70 1HA GLY 70 -12.227 11.662 2.211 564 HA3 GLY 70 2HA GLY 70 -11.199 12.027 0.840 565 H SER 71 H SER 71 -13.263 9.826 1.359 566 HA SER 71 HA SER 71 -11.528 7.513 1.213 567 HB2 SER 71 1HB SER 71 -14.366 8.011 1.963 568 HB3 SER 71 2HB SER 71 -14.098 6.527 1.070 569 HG SER 71 HG SER 71 -12.668 5.786 2.660 570 H GLY 72 H GLY 72 -10.916 6.788 -0.790 571 HA2 GLY 72 1HA GLY 72 -11.740 7.860 -3.192 572 HA3 GLY 72 2HA GLY 72 -10.983 6.294 -2.982 573 HA PRO 73 HA PRO 73 -15.493 5.904 -4.138 574 HB2 PRO 73 1HB PRO 73 -15.442 5.887 -6.870 575 HB3 PRO 73 2HB PRO 73 -15.864 7.304 -5.929 576 HG2 PRO 73 1HG PRO 73 -13.357 6.726 -7.385 577 HG3 PRO 73 2HG PRO 73 -13.962 8.266 -6.809 578 HD2 PRO 73 1HD PRO 73 -11.886 6.685 -5.620 579 HD3 PRO 73 2HD PRO 73 -12.571 8.166 -4.982 580 H SER 74 H SER 74 -16.614 4.082 -5.377 581 HA SER 74 HA SER 74 -14.854 1.836 -4.981 582 HB2 SER 74 1HB SER 74 -17.005 0.512 -5.314 583 HB3 SER 74 2HB SER 74 -17.001 1.598 -3.939 584 HG SER 74 HG SER 74 -18.969 1.861 -5.066 585 H SER 75 H SER 75 -13.489 2.140 -6.885 586 HA SER 75 HA SER 75 -12.873 1.687 -8.917 587 HB2 SER 75 1HB SER 75 -14.139 -0.437 -8.646 588 HB3 SER 75 2HB SER 75 -15.594 0.342 -9.235 589 HG SER 75 HG SER 75 -13.280 0.504 -10.888 590 H GLY 76 H GLY 76 -13.052 2.526 -11.146 591 HA2 GLY 76 1HA GLY 76 -14.600 4.956 -11.245 592 HA3 GLY 76 2HA GLY 76 -13.455 4.361 -12.430 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -28.675 46.356 -24.150 2 HA2 GLY 1 1HA GLY 1 -26.574 45.258 -25.594 3 HA3 GLY 1 2HA GLY 1 -25.888 45.841 -24.090 4 H SER 2 H SER 2 -25.915 43.087 -24.704 5 HA SER 2 HA SER 2 -27.014 42.067 -22.398 6 HB2 SER 2 1HB SER 2 -29.027 42.415 -24.292 7 HB3 SER 2 2HB SER 2 -28.573 40.739 -24.534 8 HG SER 2 HG SER 2 -28.683 40.962 -21.907 9 H SER 3 H SER 3 -26.657 39.652 -22.262 10 HA SER 3 HA SER 3 -25.668 38.179 -24.347 11 HB2 SER 3 1HB SER 3 -23.206 38.115 -23.707 12 HB3 SER 3 2HB SER 3 -23.730 39.583 -24.507 13 HG SER 3 HG SER 3 -24.119 40.041 -21.905 14 H GLY 4 H GLY 4 -24.471 36.121 -23.458 15 HA2 GLY 4 1HA GLY 4 -24.526 35.600 -20.669 16 HA3 GLY 4 2HA GLY 4 -25.975 34.976 -21.432 17 H SER 5 H SER 5 -24.486 33.044 -20.360 18 HA SER 5 HA SER 5 -23.861 31.433 -22.499 19 HB2 SER 5 1HB SER 5 -21.796 33.174 -22.236 20 HB3 SER 5 2HB SER 5 -21.278 31.972 -21.071 21 HG SER 5 HG SER 5 -21.365 30.351 -22.716 22 H SER 6 H SER 6 -23.467 29.241 -21.777 23 HA SER 6 HA SER 6 -22.788 28.721 -19.104 24 HB2 SER 6 1HB SER 6 -25.556 29.263 -19.575 25 HB3 SER 6 2HB SER 6 -25.425 27.532 -19.338 26 HG SER 6 HG SER 6 -25.549 28.196 -17.265 27 H GLY 7 H GLY 7 -22.778 26.306 -18.684 28 HA2 GLY 7 1HA GLY 7 -23.411 24.507 -20.811 29 HA3 GLY 7 2HA GLY 7 -21.696 24.861 -20.755 30 H THR 8 H THR 8 -21.775 22.391 -20.276 31 HA THR 8 HA THR 8 -22.163 21.992 -17.383 32 HB THR 8 HB THR 8 -22.506 19.598 -18.023 33 HG1 THR 8 1HG THR 8 -22.543 19.258 -20.409 34 HG21 THR 8 1HG2 THR 8 -24.125 21.571 -19.719 35 HG22 THR 8 2HG2 THR 8 -24.549 19.857 -19.494 36 HG23 THR 8 3HG2 THR 8 -24.564 20.968 -18.103 37 H SER 9 H SER 9 -20.362 21.992 -16.209 38 HA SER 9 HA SER 9 -18.236 20.347 -16.835 39 HB2 SER 9 1HB SER 9 -18.123 22.902 -18.170 40 HB3 SER 9 2HB SER 9 -16.868 22.877 -16.948 41 HG SER 9 HG SER 9 -16.074 21.997 -18.931 42 H SER 10 H SER 10 -16.285 20.864 -15.270 43 HA SER 10 HA SER 10 -15.538 21.279 -13.273 44 HB2 SER 10 1HB SER 10 -16.538 23.676 -13.922 45 HB3 SER 10 2HB SER 10 -17.665 23.317 -12.628 46 HG SER 10 HG SER 10 -14.785 23.182 -12.340 47 H ASN 11 H ASN 11 -16.517 21.605 -10.753 48 HA ASN 11 HA ASN 11 -17.585 20.637 -9.135 49 HB2 ASN 11 1HB ASN 11 -19.615 21.645 -10.393 50 HB3 ASN 11 2HB ASN 11 -19.886 20.048 -11.062 51 HD21 ASN 11 1HD2 ASN 11 -21.712 21.432 -9.465 52 HD22 ASN 11 2HD2 ASN 11 -21.955 20.578 -7.978 53 HA PRO 12 HA PRO 12 -16.534 16.471 -10.409 54 HB2 PRO 12 1HB PRO 12 -15.354 15.704 -8.066 55 HB3 PRO 12 2HB PRO 12 -14.479 16.479 -9.371 56 HG2 PRO 12 1HG PRO 12 -15.362 17.626 -6.794 57 HG3 PRO 12 2HG PRO 12 -14.147 18.228 -7.904 58 HD2 PRO 12 1HD PRO 12 -16.811 19.235 -7.564 59 HD3 PRO 12 2HD PRO 12 -15.636 19.760 -8.753 60 H VAL 13 H VAL 13 -19.106 16.808 -10.194 61 HA VAL 13 HA VAL 13 -19.871 14.910 -8.086 62 HB VAL 13 HB VAL 13 -20.738 17.355 -8.170 63 HG11 VAL 13 1HG1 VAL 13 -22.118 18.016 -9.812 64 HG12 VAL 13 2HG1 VAL 13 -21.498 16.619 -10.725 65 HG13 VAL 13 3HG1 VAL 13 -23.013 16.477 -9.801 66 HG21 VAL 13 1HG2 VAL 13 -22.979 16.593 -7.341 67 HG22 VAL 13 2HG2 VAL 13 -22.558 14.946 -7.867 68 HG23 VAL 13 3HG2 VAL 13 -21.599 15.748 -6.600 69 H LEU 14 H LEU 14 -21.680 13.405 -8.682 70 HA LEU 14 HA LEU 14 -22.538 11.837 -9.976 71 HB2 LEU 14 1HB LEU 14 -22.416 14.175 -11.785 72 HB3 LEU 14 2HB LEU 14 -22.612 12.616 -12.563 73 HG LEU 14 HG LEU 14 -24.407 13.369 -10.272 74 HD11 LEU 14 1HD1 LEU 14 -25.430 15.014 -11.348 75 HD12 LEU 14 2HD1 LEU 14 -24.174 14.938 -12.608 76 HD13 LEU 14 3HD1 LEU 14 -25.667 13.983 -12.780 77 HD21 LEU 14 1HD2 LEU 14 -24.167 11.136 -11.951 78 HD22 LEU 14 2HD2 LEU 14 -25.479 11.500 -10.805 79 HD23 LEU 14 3HD2 LEU 14 -25.622 11.997 -12.508 80 H GLU 15 H GLU 15 -20.962 10.264 -9.648 81 HA GLU 15 HA GLU 15 -19.073 10.068 -11.856 82 HB2 GLU 15 1HB GLU 15 -18.535 9.843 -8.887 83 HB3 GLU 15 2HB GLU 15 -17.548 8.933 -10.014 84 HG2 GLU 15 1HG GLU 15 -18.010 11.863 -10.578 85 HG3 GLU 15 2HG GLU 15 -16.901 11.437 -9.289 86 H LEU 16 H LEU 16 -18.123 7.694 -11.926 87 HA LEU 16 HA LEU 16 -19.984 5.734 -10.894 88 HB2 LEU 16 1HB LEU 16 -19.831 6.536 -13.752 89 HB3 LEU 16 2HB LEU 16 -19.935 4.822 -13.405 90 HG LEU 16 HG LEU 16 -21.897 6.801 -12.241 91 HD11 LEU 16 1HD1 LEU 16 -22.944 7.084 -14.176 92 HD12 LEU 16 2HD1 LEU 16 -21.577 6.283 -14.987 93 HD13 LEU 16 3HD1 LEU 16 -22.987 5.329 -14.468 94 HD21 LEU 16 1HD2 LEU 16 -21.975 3.806 -12.687 95 HD22 LEU 16 2HD2 LEU 16 -21.881 4.667 -11.132 96 HD23 LEU 16 3HD2 LEU 16 -23.351 4.786 -12.129 97 H GLU 17 H GLU 17 -18.554 4.480 -9.806 98 HA GLU 17 HA GLU 17 -15.893 4.233 -10.752 99 HB2 GLU 17 1HB GLU 17 -17.459 3.100 -8.420 100 HB3 GLU 17 2HB GLU 17 -15.865 2.471 -8.788 101 HG2 GLU 17 1HG GLU 17 -14.809 4.352 -8.025 102 HG3 GLU 17 2HG GLU 17 -15.948 5.427 -8.810 103 H LEU 18 H LEU 18 -14.883 1.899 -10.871 104 HA LEU 18 HA LEU 18 -16.646 -0.157 -11.767 105 HB2 LEU 18 1HB LEU 18 -16.076 1.687 -13.686 106 HB3 LEU 18 2HB LEU 18 -14.759 0.554 -13.918 107 HG LEU 18 HG LEU 18 -16.853 -1.175 -13.786 108 HD11 LEU 18 1HD1 LEU 18 -18.288 1.042 -13.693 109 HD12 LEU 18 2HD1 LEU 18 -18.060 0.989 -15.458 110 HD13 LEU 18 3HD1 LEU 18 -18.828 -0.380 -14.618 111 HD21 LEU 18 1HD2 LEU 18 -16.440 -0.002 -16.470 112 HD22 LEU 18 2HD2 LEU 18 -14.967 -0.504 -15.607 113 HD23 LEU 18 3HD2 LEU 18 -16.269 -1.681 -15.902 114 H ALA 19 H ALA 19 -15.330 -2.141 -12.427 115 HA ALA 19 HA ALA 19 -12.579 -2.060 -11.525 116 HB1 ALA 19 1HB ALA 19 -14.615 -3.901 -10.211 117 HB2 ALA 19 2HB ALA 19 -12.885 -3.749 -9.818 118 HB3 ALA 19 3HB ALA 19 -13.999 -2.405 -9.470 119 H GLU 20 H GLU 20 -12.399 -4.967 -11.313 120 HA GLU 20 HA GLU 20 -12.093 -6.720 -12.554 121 HB2 GLU 20 1HB GLU 20 -14.725 -6.103 -13.014 122 HB3 GLU 20 2HB GLU 20 -14.112 -6.076 -14.655 123 HG2 GLU 20 1HG GLU 20 -12.948 -8.368 -13.945 124 HG3 GLU 20 2HG GLU 20 -14.177 -8.380 -12.695 125 H GLU 21 H GLU 21 -11.525 -7.484 -14.942 126 HA GLU 21 HA GLU 21 -9.932 -7.242 -16.439 127 HB2 GLU 21 1HB GLU 21 -12.083 -6.497 -17.565 128 HB3 GLU 21 2HB GLU 21 -11.602 -4.835 -17.285 129 HG2 GLU 21 1HG GLU 21 -10.017 -4.871 -18.949 130 HG3 GLU 21 2HG GLU 21 -9.480 -6.490 -18.545 131 H LYS 22 H LYS 22 -9.342 -5.845 -13.903 132 HA LYS 22 HA LYS 22 -8.403 -3.300 -14.161 133 HB2 LYS 22 1HB LYS 22 -7.043 -3.754 -12.249 134 HB3 LYS 22 2HB LYS 22 -8.536 -4.655 -12.073 135 HG2 LYS 22 1HG LYS 22 -7.484 -6.736 -12.661 136 HG3 LYS 22 2HG LYS 22 -6.072 -5.933 -13.319 137 HD2 LYS 22 1HD LYS 22 -5.346 -5.219 -11.100 138 HD3 LYS 22 2HD LYS 22 -6.855 -5.740 -10.376 139 HE2 LYS 22 1HE LYS 22 -5.822 -8.020 -11.756 140 HE3 LYS 22 2HE LYS 22 -4.456 -7.303 -10.925 141 HZ1 LYS 22 1HZ LYS 22 -7.021 -7.828 -9.600 142 HZ2 LYS 22 2HZ LYS 22 -5.782 -8.892 -9.601 143 HZ3 LYS 22 3HZ LYS 22 -5.604 -7.432 -8.892 144 H LEU 23 H LEU 23 -5.914 -2.714 -14.105 145 HA LEU 23 HA LEU 23 -4.846 -3.819 -16.584 146 HB2 LEU 23 1HB LEU 23 -4.604 -1.240 -15.114 147 HB3 LEU 23 2HB LEU 23 -3.238 -1.759 -16.083 148 HG LEU 23 HG LEU 23 -5.606 -2.067 -17.662 149 HD11 LEU 23 1HD1 LEU 23 -6.613 -0.440 -16.083 150 HD12 LEU 23 2HD1 LEU 23 -5.328 0.718 -16.501 151 HD13 LEU 23 3HD1 LEU 23 -6.479 0.179 -17.747 152 HD21 LEU 23 1HD2 LEU 23 -3.184 -0.263 -17.798 153 HD22 LEU 23 2HD2 LEU 23 -3.485 -1.780 -18.680 154 HD23 LEU 23 3HD2 LEU 23 -4.433 -0.324 -19.065 155 HA PRO 24 HA PRO 24 -1.636 -5.851 -14.540 156 HB2 PRO 24 1HB PRO 24 0.396 -5.760 -16.365 157 HB3 PRO 24 2HB PRO 24 -0.940 -6.889 -16.474 158 HG2 PRO 24 1HG PRO 24 -0.447 -4.443 -18.058 159 HG3 PRO 24 2HG PRO 24 -1.511 -5.788 -18.418 160 HD2 PRO 24 1HD PRO 24 -2.281 -3.204 -17.437 161 HD3 PRO 24 2HD PRO 24 -3.330 -4.586 -17.686 162 H MET 25 H MET 25 1.100 -5.630 -14.476 163 HA MET 25 HA MET 25 1.353 -3.677 -12.549 164 HB2 MET 25 1HB MET 25 3.150 -5.474 -14.149 165 HB3 MET 25 2HB MET 25 3.947 -4.086 -13.436 166 HG2 MET 25 1HG MET 25 2.525 -4.881 -11.265 167 HG3 MET 25 2HG MET 25 2.635 -6.429 -12.078 168 HE1 MET 25 1HE MET 25 3.498 -7.063 -10.032 169 HE2 MET 25 2HE MET 25 5.193 -7.594 -10.149 170 HE3 MET 25 3HE MET 25 4.764 -6.207 -9.118 171 H THR 26 H THR 26 1.516 -1.482 -12.679 172 HA THR 26 HA THR 26 2.394 -0.367 -15.260 173 HB THR 26 HB THR 26 0.851 1.430 -14.844 174 HG1 THR 26 1HG THR 26 0.676 0.210 -12.179 175 HG21 THR 26 1HG2 THR 26 -1.284 0.388 -14.472 176 HG22 THR 26 2HG2 THR 26 -0.288 -0.892 -15.206 177 HG23 THR 26 3HG2 THR 26 -0.569 -0.882 -13.449 178 H LEU 27 H LEU 27 2.832 -0.384 -11.728 179 HA LEU 27 HA LEU 27 5.017 1.539 -12.102 180 HB2 LEU 27 1HB LEU 27 3.853 0.769 -9.448 181 HB3 LEU 27 2HB LEU 27 4.752 2.207 -9.890 182 HG LEU 27 HG LEU 27 1.986 1.622 -10.965 183 HD11 LEU 27 1HD1 LEU 27 2.336 1.853 -8.343 184 HD12 LEU 27 2HD1 LEU 27 2.375 3.585 -8.752 185 HD13 LEU 27 3HD1 LEU 27 0.956 2.600 -9.183 186 HD21 LEU 27 1HD2 LEU 27 3.931 3.836 -11.215 187 HD22 LEU 27 2HD2 LEU 27 2.654 3.287 -12.326 188 HD23 LEU 27 3HD2 LEU 27 2.240 4.315 -10.933 189 H SER 28 H SER 28 7.119 0.961 -11.624 190 HA SER 28 HA SER 28 7.590 -1.824 -11.481 191 HB2 SER 28 1HB SER 28 9.578 0.474 -11.221 192 HB3 SER 28 2HB SER 28 9.970 -1.193 -11.592 193 HG SER 28 HG SER 28 8.052 -0.142 -13.326 194 H ARG 29 H ARG 29 9.128 -2.793 -9.797 195 HA ARG 29 HA ARG 29 8.112 -2.780 -7.370 196 HB2 ARG 29 1HB ARG 29 10.534 -3.376 -6.566 197 HB3 ARG 29 2HB ARG 29 9.805 -4.388 -7.797 198 HG2 ARG 29 1HG ARG 29 10.995 -2.398 -9.333 199 HG3 ARG 29 2HG ARG 29 12.123 -2.541 -7.999 200 HD2 ARG 29 1HD ARG 29 11.200 -5.166 -9.035 201 HD3 ARG 29 2HD ARG 29 12.047 -4.209 -10.235 202 HE ARG 29 HE ARG 29 13.393 -4.294 -7.625 203 HH11 ARG 29 2HH2 ARG 29 13.046 -5.845 -10.764 204 HH12 ARG 29 1HH2 ARG 29 14.588 -6.632 -10.689 205 HH21 ARG 29 2HH1 ARG 29 15.427 -5.332 -7.524 206 HH22 ARG 29 1HH1 ARG 29 15.951 -6.338 -8.833 207 H GLN 30 H GLN 30 10.988 -0.754 -8.330 208 HA GLN 30 HA GLN 30 11.270 0.547 -5.948 209 HB2 GLN 30 1HB GLN 30 12.519 0.607 -8.403 210 HB3 GLN 30 2HB GLN 30 11.775 2.194 -8.376 211 HG2 GLN 30 1HG GLN 30 13.242 2.964 -6.815 212 HG3 GLN 30 2HG GLN 30 12.990 1.572 -5.780 213 HE21 GLN 30 1HE2 GLN 30 15.341 3.189 -7.031 214 HE22 GLN 30 2HE2 GLN 30 16.475 1.973 -7.517 215 H GLU 31 H GLU 31 9.279 1.466 -8.833 216 HA GLU 31 HA GLU 31 8.409 3.880 -7.871 217 HB2 GLU 31 1HB GLU 31 8.118 2.869 -10.210 218 HB3 GLU 31 2HB GLU 31 6.753 1.973 -9.574 219 HG2 GLU 31 1HG GLU 31 5.810 3.957 -10.525 220 HG3 GLU 31 2HG GLU 31 5.779 4.221 -8.793 221 H VAL 32 H VAL 32 7.602 0.619 -6.879 222 HA VAL 32 HA VAL 32 5.182 1.529 -5.534 223 HB VAL 32 HB VAL 32 6.435 -1.188 -5.957 224 HG11 VAL 32 1HG1 VAL 32 4.763 -2.205 -4.711 225 HG12 VAL 32 2HG1 VAL 32 5.108 -0.752 -3.742 226 HG13 VAL 32 3HG1 VAL 32 3.683 -0.793 -4.807 227 HG21 VAL 32 1HG2 VAL 32 5.280 0.058 -7.886 228 HG22 VAL 32 2HG2 VAL 32 4.735 -1.599 -7.531 229 HG23 VAL 32 3HG2 VAL 32 3.767 -0.208 -6.985 230 H ILE 33 H ILE 33 8.570 0.629 -4.983 231 HA ILE 33 HA ILE 33 8.266 0.312 -2.170 232 HB ILE 33 HB ILE 33 10.614 0.580 -4.032 233 HG12 ILE 33 1HG1 ILE 33 9.707 -1.747 -2.318 234 HG13 ILE 33 2HG1 ILE 33 9.228 -1.526 -3.989 235 HG21 ILE 33 1HG2 ILE 33 11.960 1.138 -2.364 236 HG22 ILE 33 2HG2 ILE 33 10.586 1.174 -1.233 237 HG23 ILE 33 3HG2 ILE 33 11.484 -0.340 -1.495 238 HD11 ILE 33 1HD1 ILE 33 11.275 -3.028 -3.585 239 HD12 ILE 33 2HD1 ILE 33 11.488 -1.728 -4.782 240 HD13 ILE 33 3HD1 ILE 33 12.153 -1.545 -3.141 241 H ARG 34 H ARG 34 9.073 2.980 -4.420 242 HA ARG 34 HA ARG 34 10.073 4.754 -2.630 243 HB2 ARG 34 1HB ARG 34 9.523 4.848 -5.275 244 HB3 ARG 34 2HB ARG 34 8.135 5.761 -4.717 245 HG2 ARG 34 1HG ARG 34 9.573 7.391 -3.588 246 HG3 ARG 34 2HG ARG 34 11.000 6.420 -3.893 247 HD2 ARG 34 1HD ARG 34 10.216 6.679 -6.453 248 HD3 ARG 34 2HD ARG 34 9.395 8.095 -5.828 249 HE ARG 34 HE ARG 34 12.206 7.877 -4.992 250 HH11 ARG 34 2HH2 ARG 34 9.979 9.118 -7.417 251 HH12 ARG 34 1HH2 ARG 34 11.071 10.338 -7.981 252 HH21 ARG 34 2HH1 ARG 34 13.648 9.487 -5.735 253 HH22 ARG 34 1HH1 ARG 34 13.172 10.550 -7.018 254 H ARG 35 H ARG 35 6.644 4.839 -3.872 255 HA ARG 35 HA ARG 35 5.677 6.583 -2.077 256 HB2 ARG 35 1HB ARG 35 4.387 4.194 -3.456 257 HB3 ARG 35 2HB ARG 35 3.438 5.238 -2.417 258 HG2 ARG 35 1HG ARG 35 3.334 6.875 -3.995 259 HG3 ARG 35 2HG ARG 35 5.065 6.829 -4.262 260 HD2 ARG 35 1HD ARG 35 4.888 5.074 -5.891 261 HD3 ARG 35 2HD ARG 35 3.262 4.654 -5.391 262 HE ARG 35 HE ARG 35 2.422 6.372 -6.743 263 HH11 ARG 35 2HH2 ARG 35 5.867 6.878 -6.238 264 HH12 ARG 35 1HH2 ARG 35 5.972 8.182 -7.374 265 HH21 ARG 35 2HH1 ARG 35 2.560 8.091 -8.243 266 HH22 ARG 35 1HH1 ARG 35 4.078 8.876 -8.522 267 H LEU 36 H LEU 36 5.306 2.961 -1.818 268 HA LEU 36 HA LEU 36 4.200 2.741 0.603 269 HB2 LEU 36 1HB LEU 36 6.405 1.089 -0.625 270 HB3 LEU 36 2HB LEU 36 5.563 0.624 0.839 271 HG LEU 36 HG LEU 36 4.225 1.086 -1.841 272 HD11 LEU 36 1HD1 LEU 36 5.792 -0.849 -1.830 273 HD12 LEU 36 2HD1 LEU 36 4.849 -1.555 -0.496 274 HD13 LEU 36 3HD1 LEU 36 4.090 -1.300 -2.085 275 HD21 LEU 36 1HD2 LEU 36 2.631 1.490 -0.139 276 HD22 LEU 36 2HD2 LEU 36 2.334 -0.167 -0.718 277 HD23 LEU 36 3HD2 LEU 36 3.188 0.098 0.821 278 H ARG 37 H ARG 37 7.756 3.150 0.002 279 HA ARG 37 HA ARG 37 8.462 3.143 2.651 280 HB2 ARG 37 1HB ARG 37 9.668 4.132 0.088 281 HB3 ARG 37 2HB ARG 37 10.354 4.805 1.554 282 HG2 ARG 37 1HG ARG 37 10.332 2.223 2.326 283 HG3 ARG 37 2HG ARG 37 10.349 1.945 0.596 284 HD2 ARG 37 1HD ARG 37 12.433 3.117 0.312 285 HD3 ARG 37 2HD ARG 37 12.325 3.864 1.894 286 HE ARG 37 HE ARG 37 12.327 1.133 2.444 287 HH11 ARG 37 2HH2 ARG 37 14.468 3.314 0.700 288 HH12 ARG 37 1HH2 ARG 37 15.893 2.388 1.035 289 HH21 ARG 37 2HH1 ARG 37 14.207 -0.089 2.886 290 HH22 ARG 37 1HH1 ARG 37 15.743 0.440 2.287 291 H GLU 38 H GLU 38 8.002 6.000 0.429 292 HA GLU 38 HA GLU 38 8.345 7.940 2.299 293 HB2 GLU 38 1HB GLU 38 6.583 7.858 -0.181 294 HB3 GLU 38 2HB GLU 38 6.817 9.323 0.752 295 HG2 GLU 38 1HG GLU 38 9.373 7.974 0.161 296 HG3 GLU 38 2HG GLU 38 8.490 8.372 -1.299 297 H ARG 39 H ARG 39 5.559 5.816 1.731 298 HA ARG 39 HA ARG 39 3.845 7.428 3.337 299 HB2 ARG 39 1HB ARG 39 3.459 4.574 2.299 300 HB3 ARG 39 2HB ARG 39 2.198 5.589 2.972 301 HG2 ARG 39 1HG ARG 39 3.563 7.060 0.873 302 HG3 ARG 39 2HG ARG 39 3.111 5.484 0.255 303 HD2 ARG 39 1HD ARG 39 0.882 5.998 0.253 304 HD3 ARG 39 2HD ARG 39 0.950 6.693 1.860 305 HE ARG 39 HE ARG 39 1.227 8.132 -0.682 306 HH11 ARG 39 2HH2 ARG 39 1.867 8.224 2.777 307 HH12 ARG 39 1HH2 ARG 39 1.971 9.952 2.841 308 HH21 ARG 39 2HH1 ARG 39 1.364 10.412 -0.598 309 HH22 ARG 39 1HH1 ARG 39 1.683 11.205 0.909 310 H GLY 40 H GLY 40 6.213 4.909 3.786 311 HA2 GLY 40 1HA GLY 40 7.057 4.286 5.850 312 HA3 GLY 40 2HA GLY 40 5.577 4.797 6.635 313 H GLU 41 H GLU 41 4.830 3.056 3.782 314 HA GLU 41 HA GLU 41 3.881 0.888 5.353 315 HB2 GLU 41 1HB GLU 41 3.870 1.225 2.321 316 HB3 GLU 41 2HB GLU 41 2.899 0.090 3.237 317 HG2 GLU 41 1HG GLU 41 2.646 2.916 4.141 318 HG3 GLU 41 2HG GLU 41 2.084 2.633 2.505 319 HA PRO 42 HA PRO 42 7.121 -1.900 4.610 320 HB2 PRO 42 1HB PRO 42 5.858 -4.323 4.632 321 HB3 PRO 42 2HB PRO 42 6.264 -3.441 6.090 322 HG2 PRO 42 1HG PRO 42 3.625 -3.775 4.800 323 HG3 PRO 42 2HG PRO 42 3.990 -3.278 6.441 324 HD2 PRO 42 1HD PRO 42 3.171 -1.583 4.276 325 HD3 PRO 42 2HD PRO 42 3.648 -1.074 5.883 326 H ILE 43 H ILE 43 8.368 -2.046 2.866 327 HA ILE 43 HA ILE 43 7.183 -2.129 0.332 328 HB ILE 43 HB ILE 43 9.481 -2.459 -0.466 329 HG12 ILE 43 1HG1 ILE 43 10.538 -2.343 2.331 330 HG13 ILE 43 2HG1 ILE 43 9.994 -3.892 1.717 331 HG21 ILE 43 1HG2 ILE 43 8.968 -0.358 1.643 332 HG22 ILE 43 2HG2 ILE 43 10.436 -0.377 0.636 333 HG23 ILE 43 3HG2 ILE 43 8.835 -0.217 -0.126 334 HD11 ILE 43 1HD1 ILE 43 11.624 -3.965 0.033 335 HD12 ILE 43 2HD1 ILE 43 11.797 -2.195 -0.017 336 HD13 ILE 43 3HD1 ILE 43 12.499 -3.120 1.332 337 H ARG 44 H ARG 44 7.691 -4.574 2.711 338 HA ARG 44 HA ARG 44 6.839 -6.513 0.771 339 HB2 ARG 44 1HB ARG 44 9.396 -6.613 0.901 340 HB3 ARG 44 2HB ARG 44 9.238 -7.071 2.585 341 HG2 ARG 44 1HG ARG 44 9.500 -9.072 1.143 342 HG3 ARG 44 2HG ARG 44 7.948 -9.087 1.958 343 HD2 ARG 44 1HD ARG 44 6.810 -9.027 -0.016 344 HD3 ARG 44 2HD ARG 44 7.747 -7.665 -0.598 345 HE ARG 44 HE ARG 44 9.171 -10.247 -0.646 346 HH11 ARG 44 2HH2 ARG 44 7.179 -7.965 -2.437 347 HH12 ARG 44 1HH2 ARG 44 7.657 -8.569 -3.988 348 HH21 ARG 44 2HH1 ARG 44 9.802 -11.044 -2.692 349 HH22 ARG 44 1HH1 ARG 44 9.159 -10.332 -4.134 350 H LEU 45 H LEU 45 4.916 -7.088 1.769 351 HA LEU 45 HA LEU 45 4.735 -7.109 4.631 352 HB2 LEU 45 1HB LEU 45 2.892 -7.396 2.320 353 HB3 LEU 45 2HB LEU 45 2.405 -8.154 3.823 354 HG LEU 45 HG LEU 45 3.029 -5.750 4.811 355 HD11 LEU 45 1HD1 LEU 45 2.060 -4.076 3.070 356 HD12 LEU 45 2HD1 LEU 45 3.770 -4.561 2.970 357 HD13 LEU 45 3HD1 LEU 45 2.571 -5.294 1.877 358 HD21 LEU 45 1HD2 LEU 45 0.687 -7.162 4.213 359 HD22 LEU 45 2HD2 LEU 45 0.862 -5.762 5.298 360 HD23 LEU 45 3HD2 LEU 45 0.413 -5.517 3.593 361 H PHE 46 H PHE 46 3.292 -9.241 5.397 362 HA PHE 46 HA PHE 46 5.144 -11.238 5.682 363 HB2 PHE 46 1HB PHE 46 2.237 -10.729 6.078 364 HB3 PHE 46 2HB PHE 46 2.564 -12.429 5.804 365 HD1 PHE 46 1HD PHE 46 3.446 -9.559 7.974 366 HD2 PHE 46 2HD PHE 46 3.461 -13.777 7.514 367 HE1 PHE 46 1HE PHE 46 4.117 -9.819 10.379 368 HE2 PHE 46 2HE PHE 46 4.131 -14.037 9.919 369 HZ PHE 46 HZ PHE 46 4.451 -12.055 11.323 370 H GLY 47 H GLY 47 6.139 -11.930 3.746 371 HA2 GLY 47 1HA GLY 47 6.390 -13.197 1.908 372 HA3 GLY 47 2HA GLY 47 4.957 -14.075 2.406 373 H GLU 48 H GLU 48 5.694 -10.732 1.155 374 HA GLU 48 HA GLU 48 3.353 -11.033 -0.540 375 HB2 GLU 48 1HB GLU 48 4.497 -8.831 0.980 376 HB3 GLU 48 2HB GLU 48 4.361 -8.375 -0.707 377 HG2 GLU 48 1HG GLU 48 1.933 -9.456 -0.502 378 HG3 GLU 48 2HG GLU 48 2.172 -9.199 1.215 379 H THR 49 H THR 49 3.598 -9.792 -2.760 380 HA THR 49 HA THR 49 6.304 -10.233 -3.820 381 HB THR 49 HB THR 49 4.704 -12.179 -4.282 382 HG1 THR 49 1HG THR 49 5.431 -10.460 -6.545 383 HG21 THR 49 1HG2 THR 49 2.615 -10.802 -4.638 384 HG22 THR 49 2HG2 THR 49 3.381 -10.070 -6.068 385 HG23 THR 49 3HG2 THR 49 3.010 -11.811 -6.051 386 H ASP 50 H ASP 50 6.721 -9.068 -5.870 387 HA ASP 50 HA ASP 50 6.419 -6.465 -5.660 388 HB2 ASP 50 1HB ASP 50 6.099 -7.801 -8.376 389 HB3 ASP 50 2HB ASP 50 6.894 -6.280 -8.025 390 H TYR 51 H TYR 51 4.121 -8.747 -7.296 391 HA TYR 51 HA TYR 51 2.333 -6.852 -8.268 392 HB2 TYR 51 1HB TYR 51 2.702 -9.568 -8.352 393 HB3 TYR 51 2HB TYR 51 1.472 -9.531 -7.105 394 HD1 TYR 51 1HD TYR 51 -0.476 -7.610 -7.884 395 HD2 TYR 51 2HD TYR 51 1.825 -10.196 -10.399 396 HE1 TYR 51 1HE TYR 51 -2.277 -7.485 -9.673 397 HE2 TYR 51 2HE TYR 51 0.015 -10.062 -12.180 398 HH TYR 51 HH TYR 51 -1.784 -8.313 -12.787 399 H ASP 52 H ASP 52 2.219 -8.782 -5.187 400 HA ASP 52 HA ASP 52 -0.115 -7.663 -4.276 401 HB2 ASP 52 1HB ASP 52 1.769 -9.517 -3.363 402 HB3 ASP 52 2HB ASP 52 1.893 -8.237 -2.173 403 H ALA 53 H ALA 53 3.366 -6.829 -3.602 404 HA ALA 53 HA ALA 53 2.838 -4.673 -1.905 405 HB1 ALA 53 1HB ALA 53 5.004 -5.914 -2.156 406 HB2 ALA 53 2HB ALA 53 5.231 -5.121 -3.733 407 HB3 ALA 53 3HB ALA 53 5.187 -4.146 -2.245 408 H PHE 54 H PHE 54 2.815 -5.045 -5.434 409 HA PHE 54 HA PHE 54 2.954 -2.252 -5.961 410 HB2 PHE 54 1HB PHE 54 3.637 -3.771 -7.705 411 HB3 PHE 54 2HB PHE 54 2.287 -4.850 -7.412 412 HD1 PHE 54 2HD PHE 54 2.777 -1.273 -8.401 413 HD2 PHE 54 1HD PHE 54 0.691 -4.909 -9.060 414 HE1 PHE 54 2HE PHE 54 1.514 -0.206 -10.289 415 HE2 PHE 54 1HE PHE 54 -0.572 -3.842 -10.949 416 HZ PHE 54 HZ PHE 54 -0.145 -1.503 -11.541 417 H GLN 55 H GLN 55 0.289 -4.724 -6.160 418 HA GLN 55 HA GLN 55 -1.690 -2.975 -6.836 419 HB2 GLN 55 1HB GLN 55 -1.815 -5.525 -5.172 420 HB3 GLN 55 2HB GLN 55 -3.237 -4.705 -5.783 421 HG2 GLN 55 1HG GLN 55 -1.004 -5.409 -7.704 422 HG3 GLN 55 2HG GLN 55 -2.110 -6.666 -7.184 423 HE21 GLN 55 1HE2 GLN 55 -4.321 -6.507 -7.640 424 HE22 GLN 55 2HE2 GLN 55 -4.937 -5.512 -8.918 425 H ARG 56 H ARG 56 -0.520 -3.953 -3.555 426 HA ARG 56 HA ARG 56 -2.398 -2.747 -2.050 427 HB2 ARG 56 1HB ARG 56 -0.227 -4.103 -1.409 428 HB3 ARG 56 2HB ARG 56 0.550 -2.535 -1.325 429 HG2 ARG 56 1HG ARG 56 -0.926 -1.777 0.426 430 HG3 ARG 56 2HG ARG 56 -2.042 -3.103 0.167 431 HD2 ARG 56 1HD ARG 56 0.821 -3.740 0.918 432 HD3 ARG 56 2HD ARG 56 -0.275 -3.185 2.168 433 HE ARG 56 HE ARG 56 -0.279 -5.794 0.942 434 HH11 ARG 56 2HH2 ARG 56 -2.465 -3.341 2.202 435 HH12 ARG 56 1HH2 ARG 56 -3.713 -4.475 2.598 436 HH21 ARG 56 2HH1 ARG 56 -1.926 -7.290 1.464 437 HH22 ARG 56 1HH1 ARG 56 -3.405 -6.736 2.176 438 H LEU 57 H LEU 57 0.761 -1.274 -3.124 439 HA LEU 57 HA LEU 57 0.182 1.275 -2.138 440 HB2 LEU 57 1HB LEU 57 2.424 0.614 -2.557 441 HB3 LEU 57 2HB LEU 57 2.085 0.250 -4.237 442 HG LEU 57 HG LEU 57 3.368 2.406 -3.675 443 HD11 LEU 57 1HD1 LEU 57 1.528 3.579 -5.405 444 HD12 LEU 57 2HD1 LEU 57 2.950 2.606 -5.850 445 HD13 LEU 57 3HD1 LEU 57 1.356 1.830 -5.690 446 HD21 LEU 57 1HD2 LEU 57 0.574 3.219 -2.856 447 HD22 LEU 57 2HD2 LEU 57 2.080 3.325 -1.913 448 HD23 LEU 57 3HD2 LEU 57 1.836 4.386 -3.321 449 H ARG 58 H ARG 58 -0.164 -0.157 -5.451 450 HA ARG 58 HA ARG 58 -0.990 2.001 -6.782 451 HB2 ARG 58 1HB ARG 58 -1.099 -0.820 -7.140 452 HB3 ARG 58 2HB ARG 58 -2.734 -0.266 -7.438 453 HG2 ARG 58 1HG ARG 58 -0.349 1.127 -8.713 454 HG3 ARG 58 2HG ARG 58 -1.061 -0.297 -9.445 455 HD2 ARG 58 1HD ARG 58 -3.133 1.643 -8.680 456 HD3 ARG 58 2HD ARG 58 -1.945 2.375 -9.740 457 HE ARG 58 HE ARG 58 -2.442 -0.014 -11.006 458 HH11 ARG 58 2HH2 ARG 58 -4.562 2.504 -9.762 459 HH12 ARG 58 1HH2 ARG 58 -5.808 2.208 -10.928 460 HH21 ARG 58 2HH1 ARG 58 -4.086 -0.405 -12.544 461 HH22 ARG 58 1HH1 ARG 58 -5.535 0.543 -12.521 462 H LYS 59 H LYS 59 -2.669 0.316 -4.190 463 HA LYS 59 HA LYS 59 -5.198 1.596 -4.840 464 HB2 LYS 59 1HB LYS 59 -4.585 -0.874 -3.810 465 HB3 LYS 59 2HB LYS 59 -4.977 0.021 -2.356 466 HG2 LYS 59 1HG LYS 59 -7.115 0.806 -3.492 467 HG3 LYS 59 2HG LYS 59 -6.734 -0.248 -4.839 468 HD2 LYS 59 1HD LYS 59 -6.864 -2.233 -3.437 469 HD3 LYS 59 2HD LYS 59 -6.939 -1.271 -1.974 470 HE2 LYS 59 1HE LYS 59 -9.126 -0.269 -2.840 471 HE3 LYS 59 2HE LYS 59 -9.066 -1.419 -4.161 472 HZ1 LYS 59 1HZ LYS 59 -9.583 -1.887 -1.365 473 HZ2 LYS 59 2HZ LYS 59 -10.209 -2.628 -2.678 474 HZ3 LYS 59 3HZ LYS 59 -8.726 -3.043 -2.136 475 H ILE 60 H ILE 60 -2.465 1.735 -2.541 476 HA ILE 60 HA ILE 60 -3.674 3.438 -0.685 477 HB ILE 60 HB ILE 60 -0.827 2.844 -1.444 478 HG12 ILE 60 1HG1 ILE 60 -2.621 2.083 0.872 479 HG13 ILE 60 2HG1 ILE 60 -1.942 1.027 -0.351 480 HG21 ILE 60 1HG2 ILE 60 -0.859 5.156 -0.678 481 HG22 ILE 60 2HG2 ILE 60 -1.767 4.679 0.777 482 HG23 ILE 60 3HG2 ILE 60 -0.102 4.097 0.537 483 HD11 ILE 60 1HD1 ILE 60 -0.653 2.205 2.068 484 HD12 ILE 60 2HD1 ILE 60 -0.343 0.653 1.254 485 HD13 ILE 60 3HD1 ILE 60 0.360 2.154 0.606 486 H GLU 61 H GLU 61 -1.754 4.076 -3.678 487 HA GLU 61 HA GLU 61 -1.534 6.769 -3.424 488 HB2 GLU 61 1HB GLU 61 -1.926 5.058 -5.914 489 HB3 GLU 61 2HB GLU 61 -1.504 6.758 -5.986 490 HG2 GLU 61 1HG GLU 61 0.127 4.703 -4.424 491 HG3 GLU 61 2HG GLU 61 0.469 5.129 -6.089 492 H ILE 62 H ILE 62 -4.332 4.809 -4.517 493 HA ILE 62 HA ILE 62 -5.859 6.902 -5.543 494 HB ILE 62 HB ILE 62 -6.704 4.299 -4.265 495 HG12 ILE 62 1HG1 ILE 62 -6.315 4.942 -7.200 496 HG13 ILE 62 2HG1 ILE 62 -5.096 4.167 -6.208 497 HG21 ILE 62 1HG2 ILE 62 -8.283 6.509 -5.094 498 HG22 ILE 62 2HG2 ILE 62 -8.502 5.210 -6.291 499 HG23 ILE 62 3HG2 ILE 62 -8.816 4.895 -4.568 500 HD11 ILE 62 1HD1 ILE 62 -6.307 2.394 -7.291 501 HD12 ILE 62 2HD1 ILE 62 -6.864 2.405 -5.601 502 HD13 ILE 62 3HD1 ILE 62 -7.877 3.122 -6.877 503 H LEU 63 H LEU 63 -5.862 5.386 -2.241 504 HA LEU 63 HA LEU 63 -7.772 6.919 -1.077 505 HB2 LEU 63 1HB LEU 63 -5.277 5.603 -0.101 506 HB3 LEU 63 2HB LEU 63 -6.147 6.660 0.993 507 HG LEU 63 HG LEU 63 -6.653 4.148 1.069 508 HD11 LEU 63 1HD1 LEU 63 -8.784 6.280 0.893 509 HD12 LEU 63 2HD1 LEU 63 -9.145 4.604 1.371 510 HD13 LEU 63 3HD1 LEU 63 -8.016 5.582 2.339 511 HD21 LEU 63 1HD2 LEU 63 -8.164 4.866 -1.457 512 HD22 LEU 63 2HD2 LEU 63 -6.839 3.690 -1.290 513 HD23 LEU 63 3HD2 LEU 63 -8.408 3.380 -0.509 514 H THR 64 H THR 64 -4.221 7.683 -0.863 515 HA THR 64 HA THR 64 -4.528 10.226 0.149 516 HB THR 64 HB THR 64 -2.410 8.892 -1.603 517 HG1 THR 64 1HG THR 64 -1.498 8.681 0.528 518 HG21 THR 64 1HG2 THR 64 -0.935 10.700 -1.242 519 HG22 THR 64 2HG2 THR 64 -2.459 11.565 -1.554 520 HG23 THR 64 3HG2 THR 64 -1.893 11.334 0.117 521 HA PRO 65 HA PRO 65 -6.068 12.596 -3.084 522 HB2 PRO 65 1HB PRO 65 -5.404 15.100 -2.212 523 HB3 PRO 65 2HB PRO 65 -6.800 14.220 -1.624 524 HG2 PRO 65 1HG PRO 65 -4.215 14.708 -0.276 525 HG3 PRO 65 2HG PRO 65 -5.744 14.218 0.426 526 HD2 PRO 65 1HD PRO 65 -3.470 12.543 -0.074 527 HD3 PRO 65 2HD PRO 65 -5.038 12.032 0.520 528 H GLU 66 H GLU 66 -5.179 15.006 -4.148 529 HA GLU 66 HA GLU 66 -3.825 15.766 -5.664 530 HB2 GLU 66 1HB GLU 66 -2.082 14.806 -3.587 531 HB3 GLU 66 2HB GLU 66 -1.313 14.453 -5.122 532 HG2 GLU 66 1HG GLU 66 -1.446 16.781 -5.823 533 HG3 GLU 66 2HG GLU 66 -2.492 17.191 -4.478 534 H VAL 67 H VAL 67 -4.091 15.133 -7.757 535 HA VAL 67 HA VAL 67 -4.231 13.840 -9.548 536 HB VAL 67 HB VAL 67 -1.724 12.667 -8.330 537 HG11 VAL 67 1HG1 VAL 67 -2.421 12.625 -11.268 538 HG12 VAL 67 2HG1 VAL 67 -1.194 11.681 -10.391 539 HG13 VAL 67 3HG1 VAL 67 -2.922 11.311 -10.176 540 HG21 VAL 67 1HG2 VAL 67 -2.081 15.242 -9.025 541 HG22 VAL 67 2HG2 VAL 67 -0.535 14.385 -9.233 542 HG23 VAL 67 3HG2 VAL 67 -1.640 14.574 -10.615 543 H ASN 68 H ASN 68 -6.122 12.682 -9.424 544 HA ASN 68 HA ASN 68 -5.830 10.040 -8.236 545 HB2 ASN 68 1HB ASN 68 -7.708 12.170 -7.514 546 HB3 ASN 68 2HB ASN 68 -8.593 10.775 -8.099 547 HD21 ASN 68 1HD2 ASN 68 -9.415 10.099 -6.202 548 HD22 ASN 68 2HD2 ASN 68 -8.487 9.479 -4.877 549 H LYS 69 H LYS 69 -5.435 9.287 -10.474 550 HA LYS 69 HA LYS 69 -7.670 9.683 -12.314 551 HB2 LYS 69 1HB LYS 69 -4.980 9.924 -12.721 552 HB3 LYS 69 2HB LYS 69 -5.240 8.270 -13.235 553 HG2 LYS 69 1HG LYS 69 -7.417 9.646 -14.360 554 HG3 LYS 69 2HG LYS 69 -6.095 10.784 -14.520 555 HD2 LYS 69 1HD LYS 69 -5.540 9.607 -16.394 556 HD3 LYS 69 2HD LYS 69 -4.863 8.427 -15.288 557 HE2 LYS 69 1HE LYS 69 -6.709 6.980 -15.470 558 HE3 LYS 69 2HE LYS 69 -7.818 8.270 -15.892 559 HZ1 LYS 69 1HZ LYS 69 -5.738 7.119 -17.615 560 HZ2 LYS 69 2HZ LYS 69 -7.355 7.016 -17.817 561 HZ3 LYS 69 3HZ LYS 69 -6.598 8.450 -18.011 562 H GLY 70 H GLY 70 -9.091 8.071 -12.780 563 HA2 GLY 70 1HA GLY 70 -8.506 5.347 -12.799 564 HA3 GLY 70 2HA GLY 70 -9.120 5.728 -11.203 565 H SER 71 H SER 71 -9.854 5.740 -14.705 566 HA SER 71 HA SER 71 -12.478 5.027 -14.295 567 HB2 SER 71 1HB SER 71 -12.001 7.919 -14.167 568 HB3 SER 71 2HB SER 71 -13.094 7.516 -15.476 569 HG SER 71 HG SER 71 -14.621 6.874 -14.075 570 H GLY 72 H GLY 72 -13.556 4.609 -16.353 571 HA2 GLY 72 1HA GLY 72 -12.786 5.542 -18.834 572 HA3 GLY 72 2HA GLY 72 -11.747 4.169 -18.506 573 HA PRO 73 HA PRO 73 -16.022 2.830 -19.824 574 HB2 PRO 73 1HB PRO 73 -15.805 2.653 -22.542 575 HB3 PRO 73 2HB PRO 73 -16.545 4.016 -21.727 576 HG2 PRO 73 1HG PRO 73 -13.892 3.847 -23.018 577 HG3 PRO 73 2HG PRO 73 -14.813 5.274 -22.585 578 HD2 PRO 73 1HD PRO 73 -12.548 4.204 -21.188 579 HD3 PRO 73 2HD PRO 73 -13.540 5.560 -20.692 580 H SER 74 H SER 74 -16.729 0.721 -20.694 581 HA SER 74 HA SER 74 -14.375 -0.998 -20.814 582 HB2 SER 74 1HB SER 74 -15.589 -1.240 -18.654 583 HB3 SER 74 2HB SER 74 -17.069 -1.608 -19.518 584 HG SER 74 HG SER 74 -16.325 -3.599 -20.074 585 H SER 75 H SER 75 -14.205 -1.851 -22.852 586 HA SER 75 HA SER 75 -16.686 -2.188 -24.327 587 HB2 SER 75 1HB SER 75 -15.012 -0.779 -25.433 588 HB3 SER 75 2HB SER 75 -13.785 -2.017 -25.251 589 HG SER 75 HG SER 75 -14.539 -2.236 -27.347 590 H GLY 76 H GLY 76 -17.447 -4.229 -23.689 591 HA2 GLY 76 1HA GLY 76 -15.830 -6.446 -23.119 592 HA3 GLY 76 2HA GLY 76 -17.537 -6.468 -23.515 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -7.689 27.563 11.169 2 HA2 GLY 1 1HA GLY 1 -6.225 25.179 11.760 3 HA3 GLY 1 2HA GLY 1 -6.924 25.130 10.154 4 H SER 2 H SER 2 -4.594 25.117 9.454 5 HA SER 2 HA SER 2 -3.742 27.869 9.138 6 HB2 SER 2 1HB SER 2 -1.339 27.113 9.484 7 HB3 SER 2 2HB SER 2 -2.323 27.143 10.934 8 HG SER 2 HG SER 2 -0.921 25.090 10.047 9 H SER 3 H SER 3 -2.887 24.421 8.318 10 HA SER 3 HA SER 3 -2.538 23.418 6.425 11 HB2 SER 3 1HB SER 3 -3.828 25.782 4.998 12 HB3 SER 3 2HB SER 3 -3.657 24.152 4.378 13 HG SER 3 HG SER 3 -5.757 24.283 5.153 14 H GLY 4 H GLY 4 -1.313 23.642 4.195 15 HA2 GLY 4 1HA GLY 4 0.811 25.670 4.556 16 HA3 GLY 4 2HA GLY 4 1.052 24.059 3.909 17 H SER 5 H SER 5 1.830 24.634 1.855 18 HA SER 5 HA SER 5 -0.204 25.439 0.035 19 HB2 SER 5 1HB SER 5 1.168 27.540 1.097 20 HB3 SER 5 2HB SER 5 2.252 27.133 -0.218 21 HG SER 5 HG SER 5 0.684 28.662 -0.936 22 H SER 6 H SER 6 0.174 24.472 -1.971 23 HA SER 6 HA SER 6 2.726 24.006 -2.959 24 HB2 SER 6 1HB SER 6 1.560 21.861 -1.254 25 HB3 SER 6 2HB SER 6 2.153 21.314 -2.810 26 HG SER 6 HG SER 6 3.713 21.405 -0.902 27 H GLY 7 H GLY 7 2.043 24.574 -5.013 28 HA2 GLY 7 1HA GLY 7 1.000 24.425 -6.997 29 HA3 GLY 7 2HA GLY 7 0.596 22.769 -6.592 30 H THR 8 H THR 8 -1.355 23.731 -7.995 31 HA THR 8 HA THR 8 -3.506 24.075 -6.123 32 HB THR 8 HB THR 8 -2.824 26.298 -8.121 33 HG1 THR 8 1HG THR 8 -2.020 27.263 -6.259 34 HG21 THR 8 1HG2 THR 8 -5.336 25.808 -7.500 35 HG22 THR 8 2HG2 THR 8 -4.877 26.368 -5.873 36 HG23 THR 8 3HG2 THR 8 -4.726 27.464 -7.267 37 H SER 9 H SER 9 -3.890 21.947 -7.063 38 HA SER 9 HA SER 9 -4.929 20.603 -8.411 39 HB2 SER 9 1HB SER 9 -6.684 22.500 -8.183 40 HB3 SER 9 2HB SER 9 -6.209 22.988 -9.797 41 HG SER 9 HG SER 9 -7.517 21.476 -10.537 42 H SER 10 H SER 10 -5.368 20.088 -10.922 43 HA SER 10 HA SER 10 -4.063 21.423 -12.891 44 HB2 SER 10 1HB SER 10 -2.001 19.919 -13.170 45 HB3 SER 10 2HB SER 10 -1.918 21.126 -11.902 46 HG SER 10 HG SER 10 -1.208 19.227 -10.954 47 H ASN 11 H ASN 11 -4.061 17.989 -11.662 48 HA ASN 11 HA ASN 11 -6.143 17.237 -13.341 49 HB2 ASN 11 1HB ASN 11 -3.618 17.350 -14.668 50 HB3 ASN 11 2HB ASN 11 -3.885 15.649 -14.342 51 HD21 ASN 11 1HD2 ASN 11 -3.832 16.873 -16.886 52 HD22 ASN 11 2HD2 ASN 11 -5.381 16.686 -17.639 53 HA PRO 12 HA PRO 12 -5.387 14.306 -10.070 54 HB2 PRO 12 1HB PRO 12 -7.951 13.386 -9.847 55 HB3 PRO 12 2HB PRO 12 -7.360 14.793 -8.987 56 HG2 PRO 12 1HG PRO 12 -9.128 14.675 -11.353 57 HG3 PRO 12 2HG PRO 12 -8.873 16.003 -10.239 58 HD2 PRO 12 1HD PRO 12 -7.796 15.751 -12.885 59 HD3 PRO 12 2HD PRO 12 -7.448 17.021 -11.728 60 H VAL 13 H VAL 13 -7.380 13.479 -12.856 61 HA VAL 13 HA VAL 13 -7.604 11.530 -13.922 62 HB VAL 13 HB VAL 13 -5.529 12.584 -14.797 63 HG11 VAL 13 1HG1 VAL 13 -3.368 11.326 -14.208 64 HG12 VAL 13 2HG1 VAL 13 -3.987 12.495 -13.018 65 HG13 VAL 13 3HG1 VAL 13 -4.240 10.751 -12.767 66 HG21 VAL 13 1HG2 VAL 13 -6.119 10.896 -16.210 67 HG22 VAL 13 2HG2 VAL 13 -4.586 10.209 -15.623 68 HG23 VAL 13 3HG2 VAL 13 -6.131 9.667 -14.923 69 H LEU 14 H LEU 14 -7.998 11.241 -11.110 70 HA LEU 14 HA LEU 14 -7.080 8.476 -10.826 71 HB2 LEU 14 1HB LEU 14 -5.670 10.067 -9.489 72 HB3 LEU 14 2HB LEU 14 -7.104 10.482 -8.571 73 HG LEU 14 HG LEU 14 -6.921 7.650 -8.534 74 HD11 LEU 14 1HD1 LEU 14 -4.466 8.301 -9.197 75 HD12 LEU 14 2HD1 LEU 14 -4.333 8.726 -7.473 76 HD13 LEU 14 3HD1 LEU 14 -4.776 7.069 -7.949 77 HD21 LEU 14 1HD2 LEU 14 -7.576 9.643 -6.814 78 HD22 LEU 14 2HD2 LEU 14 -7.312 7.949 -6.339 79 HD23 LEU 14 3HD2 LEU 14 -6.002 9.140 -6.153 80 H GLU 15 H GLU 15 -8.954 7.375 -11.149 81 HA GLU 15 HA GLU 15 -11.236 8.341 -9.607 82 HB2 GLU 15 1HB GLU 15 -11.076 8.120 -12.392 83 HB3 GLU 15 2HB GLU 15 -11.908 6.650 -11.928 84 HG2 GLU 15 1HG GLU 15 -13.622 7.913 -10.721 85 HG3 GLU 15 2HG GLU 15 -12.730 9.409 -10.916 86 H LEU 16 H LEU 16 -12.839 6.521 -9.054 87 HA LEU 16 HA LEU 16 -11.403 3.982 -8.736 88 HB2 LEU 16 1HB LEU 16 -12.217 3.759 -6.501 89 HB3 LEU 16 2HB LEU 16 -11.308 5.249 -6.651 90 HG LEU 16 HG LEU 16 -14.156 5.684 -7.104 91 HD11 LEU 16 1HD1 LEU 16 -14.948 4.217 -5.600 92 HD12 LEU 16 2HD1 LEU 16 -13.363 3.994 -4.821 93 HD13 LEU 16 3HD1 LEU 16 -14.368 5.403 -4.407 94 HD21 LEU 16 1HD2 LEU 16 -13.661 7.667 -6.211 95 HD22 LEU 16 2HD2 LEU 16 -12.926 6.934 -4.766 96 HD23 LEU 16 3HD2 LEU 16 -11.964 7.131 -6.250 97 H GLU 17 H GLU 17 -14.027 3.270 -7.139 98 HA GLU 17 HA GLU 17 -15.913 2.280 -7.555 99 HB2 GLU 17 1HB GLU 17 -15.983 4.333 -9.784 100 HB3 GLU 17 2HB GLU 17 -17.266 3.148 -9.637 101 HG2 GLU 17 1HG GLU 17 -17.162 3.963 -7.045 102 HG3 GLU 17 2HG GLU 17 -16.556 5.422 -7.804 103 H LEU 18 H LEU 18 -16.816 0.459 -8.729 104 HA LEU 18 HA LEU 18 -16.697 -1.352 -9.983 105 HB2 LEU 18 1HB LEU 18 -16.935 -0.856 -12.111 106 HB3 LEU 18 2HB LEU 18 -16.462 0.789 -11.734 107 HG LEU 18 HG LEU 18 -14.024 -0.093 -12.066 108 HD11 LEU 18 1HD1 LEU 18 -13.799 -2.231 -12.609 109 HD12 LEU 18 2HD1 LEU 18 -15.563 -2.438 -12.724 110 HD13 LEU 18 3HD1 LEU 18 -14.637 -1.892 -14.142 111 HD21 LEU 18 1HD2 LEU 18 -15.879 0.270 -14.435 112 HD22 LEU 18 2HD2 LEU 18 -15.152 1.579 -13.473 113 HD23 LEU 18 3HD2 LEU 18 -14.113 0.491 -14.424 114 H ALA 19 H ALA 19 -15.268 -3.125 -10.635 115 HA ALA 19 HA ALA 19 -12.437 -2.680 -10.223 116 HB1 ALA 19 1HB ALA 19 -13.237 -3.046 -7.940 117 HB2 ALA 19 2HB ALA 19 -14.101 -4.515 -8.452 118 HB3 ALA 19 3HB ALA 19 -12.322 -4.469 -8.492 119 H GLU 20 H GLU 20 -11.552 -5.289 -10.181 120 HA GLU 20 HA GLU 20 -11.383 -7.165 -11.301 121 HB2 GLU 20 1HB GLU 20 -14.076 -6.929 -11.367 122 HB3 GLU 20 2HB GLU 20 -13.764 -6.734 -13.080 123 HG2 GLU 20 1HG GLU 20 -13.348 -8.951 -13.332 124 HG3 GLU 20 2HG GLU 20 -12.154 -8.931 -12.050 125 H GLU 21 H GLU 21 -11.089 -7.939 -13.750 126 HA GLU 21 HA GLU 21 -9.728 -7.579 -15.444 127 HB2 GLU 21 1HB GLU 21 -12.158 -5.877 -15.856 128 HB3 GLU 21 2HB GLU 21 -10.843 -5.638 -16.989 129 HG2 GLU 21 1HG GLU 21 -10.828 -8.036 -17.558 130 HG3 GLU 21 2HG GLU 21 -12.024 -8.375 -16.323 131 H LYS 22 H LYS 22 -8.910 -6.093 -13.053 132 HA LYS 22 HA LYS 22 -8.280 -3.450 -13.564 133 HB2 LYS 22 1HB LYS 22 -7.831 -5.352 -11.535 134 HB3 LYS 22 2HB LYS 22 -6.239 -4.781 -11.994 135 HG2 LYS 22 1HG LYS 22 -6.826 -3.149 -10.435 136 HG3 LYS 22 2HG LYS 22 -7.381 -2.380 -11.909 137 HD2 LYS 22 1HD LYS 22 -9.635 -2.731 -11.423 138 HD3 LYS 22 2HD LYS 22 -9.328 -4.200 -10.519 139 HE2 LYS 22 1HE LYS 22 -9.562 -2.959 -8.629 140 HE3 LYS 22 2HE LYS 22 -8.007 -2.244 -9.004 141 HZ1 LYS 22 1HZ LYS 22 -9.637 -0.551 -8.751 142 HZ2 LYS 22 2HZ LYS 22 -9.194 -0.586 -10.323 143 HZ3 LYS 22 3HZ LYS 22 -10.625 -1.225 -9.863 144 H LEU 23 H LEU 23 -6.106 -2.495 -14.039 145 HA LEU 23 HA LEU 23 -5.125 -3.624 -16.456 146 HB2 LEU 23 1HB LEU 23 -4.559 -1.191 -14.811 147 HB3 LEU 23 2HB LEU 23 -3.417 -1.667 -16.053 148 HG LEU 23 HG LEU 23 -6.074 -1.709 -17.161 149 HD11 LEU 23 1HD1 LEU 23 -6.278 0.901 -16.989 150 HD12 LEU 23 2HD1 LEU 23 -6.960 -0.150 -15.725 151 HD13 LEU 23 3HD1 LEU 23 -5.399 0.663 -15.460 152 HD21 LEU 23 1HD2 LEU 23 -3.568 -0.098 -17.680 153 HD22 LEU 23 2HD2 LEU 23 -4.174 -1.517 -18.567 154 HD23 LEU 23 3HD2 LEU 23 -5.042 0.033 -18.670 155 HA PRO 24 HA PRO 24 -1.810 -5.911 -14.910 156 HB2 PRO 24 1HB PRO 24 0.016 -5.765 -16.938 157 HB3 PRO 24 2HB PRO 24 -1.370 -6.837 -16.972 158 HG2 PRO 24 1HG PRO 24 -0.949 -4.305 -18.439 159 HG3 PRO 24 2HG PRO 24 -2.101 -5.584 -18.765 160 HD2 PRO 24 1HD PRO 24 -2.651 -3.049 -17.539 161 HD3 PRO 24 2HD PRO 24 -3.778 -4.373 -17.761 162 H MET 25 H MET 25 0.594 -6.001 -14.373 163 HA MET 25 HA MET 25 1.172 -4.052 -12.667 164 HB2 MET 25 1HB MET 25 2.535 -6.227 -13.919 165 HB3 MET 25 2HB MET 25 3.610 -4.857 -14.116 166 HG2 MET 25 1HG MET 25 3.121 -4.419 -11.551 167 HG3 MET 25 2HG MET 25 2.575 -6.084 -11.539 168 HE1 MET 25 1HE MET 25 5.018 -6.491 -9.665 169 HE2 MET 25 2HE MET 25 6.326 -5.382 -10.139 170 HE3 MET 25 3HE MET 25 4.672 -4.763 -9.918 171 H THR 26 H THR 26 2.296 -2.043 -12.625 172 HA THR 26 HA THR 26 3.028 -0.923 -15.231 173 HB THR 26 HB THR 26 1.794 1.199 -14.479 174 HG1 THR 26 1HG THR 26 0.583 0.955 -12.584 175 HG21 THR 26 1HG2 THR 26 0.069 0.441 -15.769 176 HG22 THR 26 2HG2 THR 26 0.675 -1.222 -15.584 177 HG23 THR 26 3HG2 THR 26 -0.497 -0.567 -14.415 178 H LEU 27 H LEU 27 3.035 -0.553 -11.637 179 HA LEU 27 HA LEU 27 5.528 0.943 -11.914 180 HB2 LEU 27 1HB LEU 27 4.050 0.493 -9.345 181 HB3 LEU 27 2HB LEU 27 5.149 1.787 -9.782 182 HG LEU 27 HG LEU 27 2.543 1.518 -11.250 183 HD11 LEU 27 1HD1 LEU 27 1.369 1.697 -9.364 184 HD12 LEU 27 2HD1 LEU 27 2.821 2.028 -8.389 185 HD13 LEU 27 3HD1 LEU 27 2.007 3.355 -9.252 186 HD21 LEU 27 1HD2 LEU 27 2.771 4.019 -11.286 187 HD22 LEU 27 2HD2 LEU 27 4.376 3.819 -10.541 188 HD23 LEU 27 3HD2 LEU 27 4.048 3.130 -12.150 189 H SER 28 H SER 28 7.493 0.171 -11.181 190 HA SER 28 HA SER 28 7.561 -2.648 -10.758 191 HB2 SER 28 1HB SER 28 9.659 -0.477 -11.056 192 HB3 SER 28 2HB SER 28 10.118 -2.093 -10.557 193 HG SER 28 HG SER 28 8.733 -2.728 -12.575 194 H ARG 29 H ARG 29 9.041 -3.535 -8.921 195 HA ARG 29 HA ARG 29 7.959 -3.152 -6.552 196 HB2 ARG 29 1HB ARG 29 10.290 -3.834 -5.588 197 HB3 ARG 29 2HB ARG 29 9.536 -4.922 -6.736 198 HG2 ARG 29 1HG ARG 29 11.496 -4.793 -7.893 199 HG3 ARG 29 2HG ARG 29 10.926 -3.225 -8.431 200 HD2 ARG 29 1HD ARG 29 12.912 -2.497 -7.516 201 HD3 ARG 29 2HD ARG 29 11.983 -2.485 -6.030 202 HE ARG 29 HE ARG 29 12.895 -5.079 -6.114 203 HH11 ARG 29 2HH2 ARG 29 14.513 -1.972 -6.453 204 HH12 ARG 29 1HH2 ARG 29 16.019 -2.543 -5.814 205 HH21 ARG 29 2HH1 ARG 29 14.881 -5.832 -5.271 206 HH22 ARG 29 1HH1 ARG 29 16.229 -4.753 -5.137 207 H GLN 30 H GLN 30 10.976 -1.449 -7.682 208 HA GLN 30 HA GLN 30 11.253 0.119 -5.436 209 HB2 GLN 30 1HB GLN 30 12.843 -0.318 -7.488 210 HB3 GLN 30 2HB GLN 30 12.058 1.080 -8.194 211 HG2 GLN 30 1HG GLN 30 13.153 2.535 -6.817 212 HG3 GLN 30 2HG GLN 30 12.837 1.563 -5.393 213 HE21 GLN 30 1HE2 GLN 30 14.093 -0.508 -5.243 214 HE22 GLN 30 2HE2 GLN 30 15.772 -0.472 -5.669 215 H GLU 31 H GLU 31 9.452 0.671 -8.513 216 HA GLU 31 HA GLU 31 8.800 3.307 -8.018 217 HB2 GLU 31 1HB GLU 31 8.546 1.964 -10.188 218 HB3 GLU 31 2HB GLU 31 7.070 1.299 -9.518 219 HG2 GLU 31 1HG GLU 31 6.357 3.173 -10.815 220 HG3 GLU 31 2HG GLU 31 6.282 3.727 -9.154 221 H VAL 32 H VAL 32 7.611 0.310 -6.627 222 HA VAL 32 HA VAL 32 5.234 1.636 -5.588 223 HB VAL 32 HB VAL 32 6.224 -1.211 -5.654 224 HG11 VAL 32 1HG1 VAL 32 4.567 -0.025 -3.642 225 HG12 VAL 32 2HG1 VAL 32 3.562 -1.102 -4.641 226 HG13 VAL 32 3HG1 VAL 32 5.026 -1.732 -3.849 227 HG21 VAL 32 1HG2 VAL 32 4.639 -1.594 -7.253 228 HG22 VAL 32 2HG2 VAL 32 3.525 -0.365 -6.608 229 HG23 VAL 32 3HG2 VAL 32 4.934 0.131 -7.576 230 H ILE 33 H ILE 33 8.454 0.427 -4.664 231 HA ILE 33 HA ILE 33 8.002 0.531 -1.879 232 HB ILE 33 HB ILE 33 10.433 0.428 -3.640 233 HG12 ILE 33 1HG1 ILE 33 9.307 -1.544 -1.632 234 HG13 ILE 33 2HG1 ILE 33 8.984 -1.587 -3.353 235 HG21 ILE 33 1HG2 ILE 33 11.713 1.265 -2.031 236 HG22 ILE 33 2HG2 ILE 33 10.331 1.391 -0.917 237 HG23 ILE 33 3HG2 ILE 33 11.258 -0.125 -1.017 238 HD11 ILE 33 1HD1 ILE 33 10.810 -3.108 -2.963 239 HD12 ILE 33 2HD1 ILE 33 11.519 -1.665 -3.727 240 HD13 ILE 33 3HD1 ILE 33 11.679 -1.912 -1.972 241 H ARG 34 H ARG 34 9.110 2.881 -4.352 242 HA ARG 34 HA ARG 34 10.108 4.795 -2.733 243 HB2 ARG 34 1HB ARG 34 9.622 4.616 -5.398 244 HB3 ARG 34 2HB ARG 34 8.299 5.685 -4.976 245 HG2 ARG 34 1HG ARG 34 9.810 7.382 -5.123 246 HG3 ARG 34 2HG ARG 34 10.427 6.820 -3.581 247 HD2 ARG 34 1HD ARG 34 12.302 5.843 -4.525 248 HD3 ARG 34 2HD ARG 34 11.446 5.330 -5.965 249 HE ARG 34 HE ARG 34 12.936 7.783 -5.652 250 HH11 ARG 34 2HH2 ARG 34 10.060 6.475 -7.202 251 HH12 ARG 34 1HH2 ARG 34 10.062 7.643 -8.481 252 HH21 ARG 34 2HH1 ARG 34 12.940 9.324 -7.340 253 HH22 ARG 34 1HH1 ARG 34 11.711 9.274 -8.560 254 H ARG 35 H ARG 35 6.716 4.843 -4.078 255 HA ARG 35 HA ARG 35 5.791 6.842 -2.516 256 HB2 ARG 35 1HB ARG 35 4.383 4.383 -3.649 257 HB3 ARG 35 2HB ARG 35 3.493 5.657 -2.841 258 HG2 ARG 35 1HG ARG 35 3.405 6.678 -4.875 259 HG3 ARG 35 2HG ARG 35 5.081 7.110 -4.601 260 HD2 ARG 35 1HD ARG 35 5.860 5.111 -5.797 261 HD3 ARG 35 2HD ARG 35 4.227 4.489 -5.918 262 HE ARG 35 HE ARG 35 5.434 6.511 -7.621 263 HH11 ARG 35 2HH2 ARG 35 2.370 5.433 -6.266 264 HH12 ARG 35 1HH2 ARG 35 1.418 6.131 -7.533 265 HH21 ARG 35 2HH1 ARG 35 4.178 7.432 -9.293 266 HH22 ARG 35 1HH1 ARG 35 2.453 7.276 -9.267 267 H LEU 36 H LEU 36 5.309 3.274 -1.918 268 HA LEU 36 HA LEU 36 4.067 3.331 0.456 269 HB2 LEU 36 1HB LEU 36 6.291 1.499 -0.445 270 HB3 LEU 36 2HB LEU 36 5.288 1.202 0.961 271 HG LEU 36 HG LEU 36 4.169 1.521 -1.834 272 HD11 LEU 36 1HD1 LEU 36 5.052 -0.983 -0.384 273 HD12 LEU 36 2HD1 LEU 36 3.946 -0.987 -1.778 274 HD13 LEU 36 3HD1 LEU 36 5.605 -0.369 -1.961 275 HD21 LEU 36 1HD2 LEU 36 2.261 0.204 -0.743 276 HD22 LEU 36 2HD2 LEU 36 3.009 0.649 0.810 277 HD23 LEU 36 3HD2 LEU 36 2.444 1.919 -0.302 278 H ARG 37 H ARG 37 7.692 3.275 0.133 279 HA ARG 37 HA ARG 37 8.284 3.581 2.726 280 HB2 ARG 37 1HB ARG 37 9.599 4.332 0.149 281 HB3 ARG 37 2HB ARG 37 10.228 5.167 1.556 282 HG2 ARG 37 1HG ARG 37 10.152 2.661 2.589 283 HG3 ARG 37 2HG ARG 37 10.296 2.232 0.896 284 HD2 ARG 37 1HD ARG 37 12.351 3.569 0.671 285 HD3 ARG 37 2HD ARG 37 12.170 4.198 2.297 286 HE ARG 37 HE ARG 37 12.186 1.424 2.628 287 HH11 ARG 37 2HH2 ARG 37 14.372 3.791 1.213 288 HH12 ARG 37 1HH2 ARG 37 15.798 2.869 1.557 289 HH21 ARG 37 2HH1 ARG 37 14.067 0.207 3.081 290 HH22 ARG 37 1HH1 ARG 37 15.623 0.817 2.627 291 H GLU 38 H GLU 38 7.773 6.255 0.307 292 HA GLU 38 HA GLU 38 8.139 8.319 2.092 293 HB2 GLU 38 1HB GLU 38 6.898 7.977 -0.602 294 HB3 GLU 38 2HB GLU 38 6.392 9.403 0.282 295 HG2 GLU 38 1HG GLU 38 9.031 9.641 0.738 296 HG3 GLU 38 2HG GLU 38 9.144 8.661 -0.711 297 H ARG 39 H ARG 39 5.434 6.119 1.607 298 HA ARG 39 HA ARG 39 3.630 7.869 2.984 299 HB2 ARG 39 1HB ARG 39 3.265 4.979 2.041 300 HB3 ARG 39 2HB ARG 39 1.982 6.014 2.635 301 HG2 ARG 39 1HG ARG 39 3.429 7.419 0.544 302 HG3 ARG 39 2HG ARG 39 2.992 5.826 -0.042 303 HD2 ARG 39 1HD ARG 39 0.910 6.652 -0.441 304 HD3 ARG 39 2HD ARG 39 0.669 6.683 1.294 305 HE ARG 39 HE ARG 39 1.294 8.987 -0.435 306 HH11 ARG 39 2HH2 ARG 39 1.135 7.754 2.857 307 HH12 ARG 39 1HH2 ARG 39 1.038 9.327 3.578 308 HH21 ARG 39 2HH1 ARG 39 1.166 11.062 0.515 309 HH22 ARG 39 1HH1 ARG 39 1.056 11.221 2.236 310 H GLY 40 H GLY 40 6.058 5.586 3.765 311 HA2 GLY 40 1HA GLY 40 6.745 4.970 5.857 312 HA3 GLY 40 2HA GLY 40 5.239 5.547 6.543 313 H GLU 41 H GLU 41 4.612 3.634 3.766 314 HA GLU 41 HA GLU 41 3.532 1.591 5.411 315 HB2 GLU 41 1HB GLU 41 3.746 1.658 2.371 316 HB3 GLU 41 2HB GLU 41 2.650 0.674 3.321 317 HG2 GLU 41 1HG GLU 41 2.574 3.660 3.741 318 HG3 GLU 41 2HG GLU 41 1.887 3.030 2.257 319 HA PRO 42 HA PRO 42 6.770 -1.281 5.103 320 HB2 PRO 42 1HB PRO 42 5.466 -3.680 5.215 321 HB3 PRO 42 2HB PRO 42 5.787 -2.697 6.630 322 HG2 PRO 42 1HG PRO 42 3.237 -3.094 5.188 323 HG3 PRO 42 2HG PRO 42 3.498 -2.481 6.809 324 HD2 PRO 42 1HD PRO 42 2.858 -0.943 4.474 325 HD3 PRO 42 2HD PRO 42 3.232 -0.320 6.069 326 H ILE 43 H ILE 43 8.116 -1.516 3.444 327 HA ILE 43 HA ILE 43 7.151 -1.745 0.854 328 HB ILE 43 HB ILE 43 9.459 -2.224 0.252 329 HG12 ILE 43 1HG1 ILE 43 10.507 -2.097 3.006 330 HG13 ILE 43 2HG1 ILE 43 9.631 -3.570 2.639 331 HG21 ILE 43 1HG2 ILE 43 9.176 0.044 0.457 332 HG22 ILE 43 2HG2 ILE 43 8.810 -0.041 2.197 333 HG23 ILE 43 3HG2 ILE 43 10.485 -0.236 1.629 334 HD11 ILE 43 1HD1 ILE 43 12.167 -2.509 1.419 335 HD12 ILE 43 2HD1 ILE 43 11.735 -4.176 1.867 336 HD13 ILE 43 3HD1 ILE 43 11.079 -3.457 0.377 337 H ARG 44 H ARG 44 7.740 -4.161 3.371 338 HA ARG 44 HA ARG 44 6.668 -6.114 1.531 339 HB2 ARG 44 1HB ARG 44 9.329 -6.164 1.899 340 HB3 ARG 44 2HB ARG 44 8.896 -6.979 3.388 341 HG2 ARG 44 1HG ARG 44 9.312 -8.580 1.502 342 HG3 ARG 44 2HG ARG 44 7.697 -8.730 2.167 343 HD2 ARG 44 1HD ARG 44 6.713 -8.099 0.203 344 HD3 ARG 44 2HD ARG 44 7.793 -6.734 0.001 345 HE ARG 44 HE ARG 44 9.072 -8.030 -1.455 346 HH11 ARG 44 2HH2 ARG 44 7.239 -10.181 0.641 347 HH12 ARG 44 1HH2 ARG 44 7.764 -11.622 -0.165 348 HH21 ARG 44 2HH1 ARG 44 9.765 -9.930 -2.518 349 HH22 ARG 44 1HH1 ARG 44 9.211 -11.478 -1.974 350 H LEU 45 H LEU 45 4.734 -6.562 2.572 351 HA LEU 45 HA LEU 45 4.506 -6.383 5.399 352 HB2 LEU 45 1HB LEU 45 2.731 -7.044 3.102 353 HB3 LEU 45 2HB LEU 45 2.238 -7.581 4.695 354 HG LEU 45 HG LEU 45 2.740 -5.053 5.340 355 HD11 LEU 45 1HD1 LEU 45 1.776 -3.713 3.276 356 HD12 LEU 45 2HD1 LEU 45 3.519 -4.031 3.449 357 HD13 LEU 45 3HD1 LEU 45 2.534 -5.036 2.358 358 HD21 LEU 45 1HD2 LEU 45 0.184 -5.368 3.850 359 HD22 LEU 45 2HD2 LEU 45 0.524 -6.537 5.149 360 HD23 LEU 45 3HD2 LEU 45 0.492 -4.794 5.506 361 H PHE 46 H PHE 46 3.604 -9.225 3.349 362 HA PHE 46 HA PHE 46 5.398 -10.904 4.850 363 HB2 PHE 46 1HB PHE 46 3.030 -10.466 6.047 364 HB3 PHE 46 2HB PHE 46 2.409 -11.540 4.809 365 HD1 PHE 46 2HD PHE 46 4.173 -13.702 4.552 366 HD2 PHE 46 1HD PHE 46 3.281 -11.511 8.075 367 HE1 PHE 46 2HE PHE 46 4.817 -15.685 5.948 368 HE2 PHE 46 1HE PHE 46 3.926 -13.494 9.471 369 HZ PHE 46 HZ PHE 46 4.686 -15.558 8.391 370 H GLY 47 H GLY 47 6.335 -11.404 2.812 371 HA2 GLY 47 1HA GLY 47 6.586 -12.684 0.977 372 HA3 GLY 47 2HA GLY 47 5.121 -13.541 1.412 373 H GLU 48 H GLU 48 5.179 -9.997 0.980 374 HA GLU 48 HA GLU 48 3.147 -10.233 -0.979 375 HB2 GLU 48 1HB GLU 48 4.387 -8.098 0.642 376 HB3 GLU 48 2HB GLU 48 3.954 -7.562 -0.970 377 HG2 GLU 48 1HG GLU 48 1.697 -8.986 -0.317 378 HG3 GLU 48 2HG GLU 48 2.189 -8.445 1.276 379 H THR 49 H THR 49 3.542 -10.696 -3.097 380 HA THR 49 HA THR 49 6.172 -10.365 -4.183 381 HB THR 49 HB THR 49 4.520 -12.260 -4.667 382 HG1 THR 49 1HG THR 49 5.272 -10.547 -6.925 383 HG21 THR 49 1HG2 THR 49 2.820 -11.839 -6.404 384 HG22 THR 49 2HG2 THR 49 2.476 -10.794 -5.005 385 HG23 THR 49 3HG2 THR 49 3.258 -10.115 -6.452 386 H ASP 50 H ASP 50 6.581 -9.222 -6.272 387 HA ASP 50 HA ASP 50 6.392 -6.607 -6.034 388 HB2 ASP 50 1HB ASP 50 6.023 -8.042 -8.704 389 HB3 ASP 50 2HB ASP 50 6.689 -6.437 -8.481 390 H TYR 51 H TYR 51 3.981 -8.774 -7.672 391 HA TYR 51 HA TYR 51 2.247 -6.784 -8.555 392 HB2 TYR 51 1HB TYR 51 2.525 -9.506 -8.743 393 HB3 TYR 51 2HB TYR 51 1.312 -9.473 -7.480 394 HD1 TYR 51 1HD TYR 51 -0.240 -7.027 -8.453 395 HD2 TYR 51 2HD TYR 51 1.264 -10.464 -10.511 396 HE1 TYR 51 1HE TYR 51 -2.058 -6.778 -10.212 397 HE2 TYR 51 2HE TYR 51 -0.560 -10.203 -12.263 398 HH TYR 51 HH TYR 51 -3.236 -8.221 -11.797 399 H ASP 52 H ASP 52 2.062 -8.853 -5.568 400 HA ASP 52 HA ASP 52 -0.205 -7.736 -4.566 401 HB2 ASP 52 1HB ASP 52 1.986 -9.394 -3.618 402 HB3 ASP 52 2HB ASP 52 1.561 -8.250 -2.361 403 H ALA 53 H ALA 53 3.275 -6.913 -3.843 404 HA ALA 53 HA ALA 53 2.767 -4.782 -2.142 405 HB1 ALA 53 1HB ALA 53 5.152 -4.117 -3.222 406 HB2 ALA 53 2HB ALA 53 4.961 -5.437 -2.045 407 HB3 ALA 53 3HB ALA 53 5.043 -5.802 -3.785 408 H PHE 54 H PHE 54 2.956 -4.999 -5.722 409 HA PHE 54 HA PHE 54 2.954 -2.230 -6.171 410 HB2 PHE 54 1HB PHE 54 3.593 -3.683 -7.976 411 HB3 PHE 54 2HB PHE 54 2.283 -4.802 -7.656 412 HD1 PHE 54 2HD PHE 54 2.574 -1.175 -8.534 413 HD2 PHE 54 1HD PHE 54 0.702 -4.901 -9.315 414 HE1 PHE 54 2HE PHE 54 1.220 -0.111 -10.360 415 HE2 PHE 54 1HE PHE 54 -0.653 -3.838 -11.141 416 HZ PHE 54 HZ PHE 54 -0.377 -1.456 -11.642 417 H GLN 55 H GLN 55 0.265 -4.652 -6.596 418 HA GLN 55 HA GLN 55 -1.698 -2.857 -7.093 419 HB2 GLN 55 1HB GLN 55 -1.850 -5.509 -5.597 420 HB3 GLN 55 2HB GLN 55 -3.260 -4.640 -6.169 421 HG2 GLN 55 1HG GLN 55 -1.026 -5.218 -8.123 422 HG3 GLN 55 2HG GLN 55 -2.105 -6.523 -7.674 423 HE21 GLN 55 1HE2 GLN 55 -4.171 -6.573 -8.379 424 HE22 GLN 55 2HE2 GLN 55 -4.863 -5.449 -9.501 425 H ARG 56 H ARG 56 -0.266 -3.813 -3.959 426 HA ARG 56 HA ARG 56 -2.211 -2.803 -2.317 427 HB2 ARG 56 1HB ARG 56 -0.050 -4.169 -1.768 428 HB3 ARG 56 2HB ARG 56 0.771 -2.622 -1.705 429 HG2 ARG 56 1HG ARG 56 -0.613 -1.845 0.120 430 HG3 ARG 56 2HG ARG 56 -1.755 -3.158 -0.089 431 HD2 ARG 56 1HD ARG 56 -0.276 -3.596 1.850 432 HD3 ARG 56 2HD ARG 56 -0.028 -4.807 0.608 433 HE ARG 56 HE ARG 56 2.167 -4.053 0.375 434 HH11 ARG 56 2HH2 ARG 56 0.247 -1.489 1.831 435 HH12 ARG 56 1HH2 ARG 56 1.604 -0.443 2.086 436 HH21 ARG 56 2HH1 ARG 56 3.958 -2.674 0.711 437 HH22 ARG 56 1HH1 ARG 56 3.729 -1.121 1.445 438 H LEU 57 H LEU 57 0.940 -1.226 -3.270 439 HA LEU 57 HA LEU 57 0.325 1.257 -2.188 440 HB2 LEU 57 1HB LEU 57 2.567 0.667 -2.670 441 HB3 LEU 57 2HB LEU 57 2.211 0.363 -4.358 442 HG LEU 57 HG LEU 57 3.467 2.513 -3.747 443 HD11 LEU 57 1HD1 LEU 57 2.965 2.708 -5.916 444 HD12 LEU 57 2HD1 LEU 57 1.324 2.055 -5.694 445 HD13 LEU 57 3HD1 LEU 57 1.647 3.776 -5.377 446 HD21 LEU 57 1HD2 LEU 57 2.205 3.318 -1.901 447 HD22 LEU 57 2HD2 LEU 57 1.943 4.454 -3.246 448 HD23 LEU 57 3HD2 LEU 57 0.685 3.266 -2.827 449 H ARG 58 H ARG 58 -0.080 -0.019 -5.556 450 HA ARG 58 HA ARG 58 -0.942 2.191 -6.772 451 HB2 ARG 58 1HB ARG 58 -1.016 -0.592 -7.275 452 HB3 ARG 58 2HB ARG 58 -2.683 -0.086 -7.457 453 HG2 ARG 58 1HG ARG 58 -0.731 1.758 -8.732 454 HG3 ARG 58 2HG ARG 58 -0.720 0.142 -9.411 455 HD2 ARG 58 1HD ARG 58 -3.366 1.556 -8.948 456 HD3 ARG 58 2HD ARG 58 -2.407 1.951 -10.361 457 HE ARG 58 HE ARG 58 -2.500 -0.846 -10.332 458 HH11 ARG 58 2HH2 ARG 58 -4.871 1.753 -10.426 459 HH12 ARG 58 1HH2 ARG 58 -6.043 0.824 -11.299 460 HH21 ARG 58 2HH1 ARG 58 -4.047 -2.072 -11.484 461 HH22 ARG 58 1HH1 ARG 58 -5.572 -1.366 -11.905 462 H LYS 59 H LYS 59 -2.557 0.390 -4.217 463 HA LYS 59 HA LYS 59 -5.103 1.687 -4.755 464 HB2 LYS 59 1HB LYS 59 -5.399 -0.573 -4.232 465 HB3 LYS 59 2HB LYS 59 -4.190 -0.552 -2.964 466 HG2 LYS 59 1HG LYS 59 -5.626 0.788 -1.510 467 HG3 LYS 59 2HG LYS 59 -6.780 1.053 -2.802 468 HD2 LYS 59 1HD LYS 59 -7.870 -0.853 -2.246 469 HD3 LYS 59 2HD LYS 59 -6.424 -1.790 -2.561 470 HE2 LYS 59 1HE LYS 59 -5.640 -1.517 -0.274 471 HE3 LYS 59 2HE LYS 59 -6.862 -0.308 0.069 472 HZ1 LYS 59 1HZ LYS 59 -8.300 -1.895 0.529 473 HZ2 LYS 59 2HZ LYS 59 -8.034 -2.690 -0.872 474 HZ3 LYS 59 3HZ LYS 59 -7.094 -2.992 0.429 475 H ILE 60 H ILE 60 -2.317 1.741 -2.521 476 HA ILE 60 HA ILE 60 -3.486 3.349 -0.559 477 HB ILE 60 HB ILE 60 -0.656 2.811 -1.419 478 HG12 ILE 60 1HG1 ILE 60 -2.336 1.965 0.957 479 HG13 ILE 60 2HG1 ILE 60 -1.802 0.954 -0.371 480 HG21 ILE 60 1HG2 ILE 60 -0.362 4.947 -0.560 481 HG22 ILE 60 2HG2 ILE 60 -1.653 4.753 0.650 482 HG23 ILE 60 3HG2 ILE 60 -0.101 3.907 0.861 483 HD11 ILE 60 1HD1 ILE 60 -0.020 0.449 0.952 484 HD12 ILE 60 2HD1 ILE 60 0.593 2.063 0.521 485 HD13 ILE 60 3HD1 ILE 60 -0.325 1.833 2.028 486 H GLU 61 H GLU 61 -1.656 4.135 -3.573 487 HA GLU 61 HA GLU 61 -1.430 6.811 -3.211 488 HB2 GLU 61 1HB GLU 61 -1.949 5.238 -5.769 489 HB3 GLU 61 2HB GLU 61 -1.480 6.926 -5.757 490 HG2 GLU 61 1HG GLU 61 0.150 4.763 -4.355 491 HG3 GLU 61 2HG GLU 61 0.429 5.219 -6.024 492 H ILE 62 H ILE 62 -4.309 4.890 -3.980 493 HA ILE 62 HA ILE 62 -5.845 7.171 -4.798 494 HB ILE 62 HB ILE 62 -6.701 4.356 -4.115 495 HG12 ILE 62 1HG1 ILE 62 -6.252 5.454 -6.890 496 HG13 ILE 62 2HG1 ILE 62 -4.951 4.706 -5.986 497 HG21 ILE 62 1HG2 ILE 62 -8.224 6.696 -4.608 498 HG22 ILE 62 2HG2 ILE 62 -8.358 5.662 -6.050 499 HG23 ILE 62 3HG2 ILE 62 -8.789 5.016 -4.449 500 HD11 ILE 62 1HD1 ILE 62 -7.053 2.898 -5.634 501 HD12 ILE 62 2HD1 ILE 62 -7.266 3.456 -7.311 502 HD13 ILE 62 3HD1 ILE 62 -5.722 2.729 -6.804 503 H LEU 63 H LEU 63 -5.703 4.982 -1.909 504 HA LEU 63 HA LEU 63 -7.676 6.224 -0.446 505 HB2 LEU 63 1HB LEU 63 -5.545 4.324 -0.025 506 HB3 LEU 63 2HB LEU 63 -5.690 5.388 1.360 507 HG LEU 63 HG LEU 63 -7.041 3.155 1.250 508 HD11 LEU 63 1HD1 LEU 63 -7.276 4.539 3.135 509 HD12 LEU 63 2HD1 LEU 63 -8.088 5.820 2.204 510 HD13 LEU 63 3HD1 LEU 63 -8.933 4.289 2.533 511 HD21 LEU 63 1HD2 LEU 63 -8.014 3.895 -1.031 512 HD22 LEU 63 2HD2 LEU 63 -9.090 3.123 0.158 513 HD23 LEU 63 3HD2 LEU 63 -9.122 4.890 -0.057 514 H THR 64 H THR 64 -4.106 6.728 0.037 515 HA THR 64 HA THR 64 -4.159 8.842 1.686 516 HB THR 64 HB THR 64 -2.386 8.142 -0.693 517 HG1 THR 64 1HG THR 64 -2.135 8.232 2.232 518 HG21 THR 64 1HG2 THR 64 -1.461 10.009 1.491 519 HG22 THR 64 2HG2 THR 64 -0.869 9.851 -0.180 520 HG23 THR 64 3HG2 THR 64 -2.392 10.713 0.147 521 HA PRO 65 HA PRO 65 -6.075 12.144 -0.278 522 HB2 PRO 65 1HB PRO 65 -5.155 14.224 1.238 523 HB3 PRO 65 2HB PRO 65 -6.477 13.187 1.735 524 HG2 PRO 65 1HG PRO 65 -3.685 13.224 2.705 525 HG3 PRO 65 2HG PRO 65 -5.100 12.516 3.459 526 HD2 PRO 65 1HD PRO 65 -3.023 11.120 2.057 527 HD3 PRO 65 2HD PRO 65 -4.495 10.428 2.710 528 H GLU 66 H GLU 66 -2.824 13.241 0.591 529 HA GLU 66 HA GLU 66 -1.235 14.102 -0.613 530 HB2 GLU 66 1HB GLU 66 -2.572 12.328 -2.534 531 HB3 GLU 66 2HB GLU 66 -1.812 13.687 -3.338 532 HG2 GLU 66 1HG GLU 66 0.257 13.124 -1.784 533 HG3 GLU 66 2HG GLU 66 -0.524 11.567 -1.593 534 H VAL 67 H VAL 67 -2.092 16.202 0.115 535 HA VAL 67 HA VAL 67 -3.041 18.207 -0.143 536 HB VAL 67 HB VAL 67 -0.914 18.370 -1.330 537 HG11 VAL 67 1HG1 VAL 67 -1.047 18.381 -3.902 538 HG12 VAL 67 2HG1 VAL 67 -1.026 16.803 -3.079 539 HG13 VAL 67 3HG1 VAL 67 -2.559 17.464 -3.698 540 HG21 VAL 67 1HG2 VAL 67 -1.803 20.473 -1.281 541 HG22 VAL 67 2HG2 VAL 67 -1.786 20.233 -3.045 542 HG23 VAL 67 3HG2 VAL 67 -3.292 19.987 -2.128 543 H ASN 68 H ASN 68 -5.058 16.429 -0.336 544 HA ASN 68 HA ASN 68 -6.401 16.872 -2.838 545 HB2 ASN 68 1HB ASN 68 -6.487 14.890 -0.732 546 HB3 ASN 68 2HB ASN 68 -8.088 15.591 -0.857 547 HD21 ASN 68 1HD2 ASN 68 -8.297 13.201 -1.480 548 HD22 ASN 68 2HD2 ASN 68 -8.266 12.835 -3.173 549 H LYS 69 H LYS 69 -8.547 17.932 -2.925 550 HA LYS 69 HA LYS 69 -8.906 19.826 -0.721 551 HB2 LYS 69 1HB LYS 69 -8.541 20.429 -3.284 552 HB3 LYS 69 2HB LYS 69 -10.265 20.129 -3.372 553 HG2 LYS 69 1HG LYS 69 -10.159 21.664 -1.094 554 HG3 LYS 69 2HG LYS 69 -8.788 22.317 -1.969 555 HD2 LYS 69 1HD LYS 69 -10.679 22.174 -3.983 556 HD3 LYS 69 2HD LYS 69 -11.695 22.503 -2.593 557 HE2 LYS 69 1HE LYS 69 -9.221 24.159 -2.718 558 HE3 LYS 69 2HE LYS 69 -10.338 24.432 -4.041 559 HZ1 LYS 69 1HZ LYS 69 -10.720 25.773 -2.005 560 HZ2 LYS 69 2HZ LYS 69 -12.033 24.958 -2.532 561 HZ3 LYS 69 3HZ LYS 69 -11.199 24.414 -1.237 562 H GLY 70 H GLY 70 -9.968 18.323 0.699 563 HA2 GLY 70 1HA GLY 70 -12.801 18.186 0.232 564 HA3 GLY 70 2HA GLY 70 -12.018 16.620 0.146 565 H SER 71 H SER 71 -12.763 15.686 2.060 566 HA SER 71 HA SER 71 -12.177 17.201 4.478 567 HB2 SER 71 1HB SER 71 -14.573 16.468 4.030 568 HB3 SER 71 2HB SER 71 -14.038 14.805 4.172 569 HG SER 71 HG SER 71 -13.144 16.285 6.324 570 H GLY 72 H GLY 72 -9.935 16.602 4.630 571 HA2 GLY 72 1HA GLY 72 -9.534 13.849 5.554 572 HA3 GLY 72 2HA GLY 72 -8.566 14.417 4.208 573 HA PRO 73 HA PRO 73 -6.182 15.696 7.765 574 HB2 PRO 73 1HB PRO 73 -3.719 15.225 6.677 575 HB3 PRO 73 2HB PRO 73 -4.604 14.026 7.600 576 HG2 PRO 73 1HG PRO 73 -4.195 14.182 4.677 577 HG3 PRO 73 2HG PRO 73 -4.692 12.808 5.644 578 HD2 PRO 73 1HD PRO 73 -6.374 14.444 3.995 579 HD3 PRO 73 2HD PRO 73 -6.888 13.144 5.052 580 H SER 74 H SER 74 -5.802 16.582 4.419 581 HA SER 74 HA SER 74 -5.215 18.447 3.465 582 HB2 SER 74 1HB SER 74 -7.323 19.095 4.862 583 HB3 SER 74 2HB SER 74 -6.210 19.958 5.905 584 HG SER 74 HG SER 74 -6.269 20.374 3.046 585 H SER 75 H SER 75 -2.951 18.421 3.370 586 HA SER 75 HA SER 75 -1.668 20.048 5.394 587 HB2 SER 75 1HB SER 75 -1.290 17.183 5.062 588 HB3 SER 75 2HB SER 75 0.208 18.015 4.695 589 HG SER 75 HG SER 75 0.087 19.082 6.764 590 H GLY 76 H GLY 76 -1.832 21.631 3.584 591 HA2 GLY 76 1HA GLY 76 0.390 22.231 2.260 592 HA3 GLY 76 2HA GLY 76 -0.295 21.030 1.184 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -43.223 4.656 -18.359 2 HA2 GLY 1 1HA GLY 1 -44.776 4.096 -16.087 3 HA3 GLY 1 2HA GLY 1 -43.085 3.995 -15.638 4 H SER 2 H SER 2 -43.988 5.928 -14.262 5 HA SER 2 HA SER 2 -42.894 8.245 -15.394 6 HB2 SER 2 1HB SER 2 -45.805 7.859 -15.649 7 HB3 SER 2 2HB SER 2 -45.408 9.331 -14.786 8 HG SER 2 HG SER 2 -45.546 9.384 -17.250 9 H SER 3 H SER 3 -42.927 10.083 -13.768 10 HA SER 3 HA SER 3 -44.074 9.765 -11.275 11 HB2 SER 3 1HB SER 3 -41.864 8.065 -11.564 12 HB3 SER 3 2HB SER 3 -41.194 9.453 -10.731 13 HG SER 3 HG SER 3 -42.113 8.736 -8.947 14 H GLY 4 H GLY 4 -43.161 11.466 -9.688 15 HA2 GLY 4 1HA GLY 4 -41.412 13.459 -10.877 16 HA3 GLY 4 2HA GLY 4 -43.081 13.949 -10.667 17 H SER 5 H SER 5 -41.411 15.466 -9.257 18 HA SER 5 HA SER 5 -42.206 15.044 -6.642 19 HB2 SER 5 1HB SER 5 -40.280 14.308 -5.501 20 HB3 SER 5 2HB SER 5 -40.319 13.275 -6.916 21 HG SER 5 HG SER 5 -38.501 15.325 -6.223 22 H SER 6 H SER 6 -41.493 16.857 -5.232 23 HA SER 6 HA SER 6 -40.375 19.009 -6.853 24 HB2 SER 6 1HB SER 6 -41.619 20.516 -5.179 25 HB3 SER 6 2HB SER 6 -42.607 19.630 -6.323 26 HG SER 6 HG SER 6 -43.406 18.358 -4.741 27 H GLY 7 H GLY 7 -38.328 19.596 -6.243 28 HA2 GLY 7 1HA GLY 7 -37.672 19.878 -3.444 29 HA3 GLY 7 2HA GLY 7 -36.839 18.559 -4.241 30 H THR 8 H THR 8 -35.300 20.615 -3.243 31 HA THR 8 HA THR 8 -34.305 21.816 -5.717 32 HB THR 8 HB THR 8 -35.800 23.495 -4.595 33 HG1 THR 8 1HG THR 8 -34.152 24.757 -5.357 34 HG21 THR 8 1HG2 THR 8 -35.607 24.070 -2.371 35 HG22 THR 8 2HG2 THR 8 -34.829 22.479 -2.195 36 HG23 THR 8 3HG2 THR 8 -33.833 23.939 -2.406 37 H SER 9 H SER 9 -33.056 19.679 -5.112 38 HA SER 9 HA SER 9 -30.781 20.612 -3.551 39 HB2 SER 9 1HB SER 9 -30.458 18.220 -2.797 40 HB3 SER 9 2HB SER 9 -31.888 18.994 -2.143 41 HG SER 9 HG SER 9 -32.440 16.897 -2.888 42 H SER 10 H SER 10 -28.751 19.150 -4.097 43 HA SER 10 HA SER 10 -28.841 18.699 -6.976 44 HB2 SER 10 1HB SER 10 -27.289 20.519 -5.756 45 HB3 SER 10 2HB SER 10 -26.247 19.133 -5.505 46 HG SER 10 HG SER 10 -26.513 20.615 -7.739 47 H ASN 11 H ASN 11 -26.974 17.690 -4.009 48 HA ASN 11 HA ASN 11 -26.234 15.768 -3.336 49 HB2 ASN 11 1HB ASN 11 -28.587 14.834 -5.018 50 HB3 ASN 11 2HB ASN 11 -27.516 13.640 -4.312 51 HD21 ASN 11 1HD2 ASN 11 -27.155 13.681 -2.010 52 HD22 ASN 11 2HD2 ASN 11 -28.402 14.218 -0.934 53 HA PRO 12 HA PRO 12 -23.703 15.111 -7.003 54 HB2 PRO 12 1HB PRO 12 -21.285 15.091 -5.729 55 HB3 PRO 12 2HB PRO 12 -22.020 16.548 -6.368 56 HG2 PRO 12 1HG PRO 12 -21.806 15.660 -3.557 57 HG3 PRO 12 2HG PRO 12 -22.139 17.264 -4.179 58 HD2 PRO 12 1HD PRO 12 -24.037 15.431 -3.053 59 HD3 PRO 12 2HD PRO 12 -24.386 16.987 -3.781 60 H VAL 13 H VAL 13 -23.214 13.471 -3.926 61 HA VAL 13 HA VAL 13 -22.716 11.360 -3.471 62 HB VAL 13 HB VAL 13 -25.063 11.295 -4.417 63 HG11 VAL 13 1HG1 VAL 13 -25.099 9.775 -6.564 64 HG12 VAL 13 2HG1 VAL 13 -24.926 11.541 -6.712 65 HG13 VAL 13 3HG1 VAL 13 -23.495 10.491 -6.851 66 HG21 VAL 13 1HG2 VAL 13 -23.557 9.359 -3.324 67 HG22 VAL 13 2HG2 VAL 13 -25.228 9.087 -3.872 68 HG23 VAL 13 3HG2 VAL 13 -23.863 8.611 -4.910 69 H LEU 14 H LEU 14 -21.938 9.108 -4.599 70 HA LEU 14 HA LEU 14 -20.369 9.508 -6.946 71 HB2 LEU 14 1HB LEU 14 -19.198 10.388 -4.604 72 HB3 LEU 14 2HB LEU 14 -18.565 8.763 -4.771 73 HG LEU 14 HG LEU 14 -18.344 9.952 -7.330 74 HD11 LEU 14 1HD1 LEU 14 -17.141 11.782 -5.245 75 HD12 LEU 14 2HD1 LEU 14 -17.170 11.988 -7.013 76 HD13 LEU 14 3HD1 LEU 14 -18.678 12.118 -6.077 77 HD21 LEU 14 1HD2 LEU 14 -16.047 9.478 -7.102 78 HD22 LEU 14 2HD2 LEU 14 -16.106 9.621 -5.329 79 HD23 LEU 14 3HD2 LEU 14 -16.889 8.242 -6.137 80 H GLU 15 H GLU 15 -20.436 7.602 -8.007 81 HA GLU 15 HA GLU 15 -21.632 5.397 -6.869 82 HB2 GLU 15 1HB GLU 15 -20.868 6.184 -9.417 83 HB3 GLU 15 2HB GLU 15 -19.797 4.827 -9.128 84 HG2 GLU 15 1HG GLU 15 -21.501 3.301 -9.221 85 HG3 GLU 15 2HG GLU 15 -22.570 4.292 -8.248 86 H LEU 16 H LEU 16 -20.600 3.130 -6.716 87 HA LEU 16 HA LEU 16 -17.878 3.373 -5.638 88 HB2 LEU 16 1HB LEU 16 -19.926 1.491 -4.509 89 HB3 LEU 16 2HB LEU 16 -18.402 2.008 -3.816 90 HG LEU 16 HG LEU 16 -20.230 4.248 -4.254 91 HD11 LEU 16 1HD1 LEU 16 -21.763 3.628 -2.375 92 HD12 LEU 16 2HD1 LEU 16 -21.999 2.687 -3.867 93 HD13 LEU 16 3HD1 LEU 16 -21.139 1.965 -2.486 94 HD21 LEU 16 1HD2 LEU 16 -18.052 3.855 -2.758 95 HD22 LEU 16 2HD2 LEU 16 -19.315 5.035 -2.331 96 HD23 LEU 16 3HD2 LEU 16 -19.290 3.436 -1.550 97 H GLU 17 H GLU 17 -18.360 0.306 -5.086 98 HA GLU 17 HA GLU 17 -17.601 -1.494 -6.064 99 HB2 GLU 17 1HB GLU 17 -19.401 -0.684 -8.387 100 HB3 GLU 17 2HB GLU 17 -18.922 -2.313 -7.952 101 HG2 GLU 17 1HG GLU 17 -20.124 -2.120 -5.788 102 HG3 GLU 17 2HG GLU 17 -20.547 -0.458 -6.147 103 H LEU 18 H LEU 18 -15.387 -0.725 -6.303 104 HA LEU 18 HA LEU 18 -14.724 0.219 -8.989 105 HB2 LEU 18 1HB LEU 18 -13.632 0.609 -6.290 106 HB3 LEU 18 2HB LEU 18 -12.417 0.316 -7.518 107 HG LEU 18 HG LEU 18 -12.969 2.732 -7.044 108 HD11 LEU 18 1HD1 LEU 18 -11.743 2.465 -8.973 109 HD12 LEU 18 2HD1 LEU 18 -13.005 1.500 -9.777 110 HD13 LEU 18 3HD1 LEU 18 -13.209 3.259 -9.597 111 HD21 LEU 18 1HD2 LEU 18 -15.322 2.709 -6.770 112 HD22 LEU 18 2HD2 LEU 18 -14.998 3.616 -8.267 113 HD23 LEU 18 3HD2 LEU 18 -15.575 1.934 -8.352 114 H ALA 19 H ALA 19 -12.554 -0.694 -9.858 115 HA ALA 19 HA ALA 19 -11.571 -3.138 -9.046 116 HB1 ALA 19 1HB ALA 19 -13.181 -3.847 -11.409 117 HB2 ALA 19 2HB ALA 19 -12.906 -4.751 -9.901 118 HB3 ALA 19 3HB ALA 19 -14.160 -3.490 -9.966 119 H GLU 20 H GLU 20 -9.646 -2.083 -9.666 120 HA GLU 20 HA GLU 20 -9.455 -1.574 -12.530 121 HB2 GLU 20 1HB GLU 20 -9.067 0.363 -10.912 122 HB3 GLU 20 2HB GLU 20 -7.641 -0.479 -10.340 123 HG2 GLU 20 1HG GLU 20 -6.501 0.534 -12.024 124 HG3 GLU 20 2HG GLU 20 -7.331 -0.547 -13.125 125 H GLU 21 H GLU 21 -9.310 -4.179 -12.165 126 HA GLU 21 HA GLU 21 -6.578 -4.882 -11.546 127 HB2 GLU 21 1HB GLU 21 -9.164 -6.221 -11.439 128 HB3 GLU 21 2HB GLU 21 -8.028 -7.189 -12.358 129 HG2 GLU 21 1HG GLU 21 -7.783 -7.843 -10.046 130 HG3 GLU 21 2HG GLU 21 -6.356 -6.913 -10.458 131 H LYS 22 H LYS 22 -6.973 -3.251 -13.882 132 HA LYS 22 HA LYS 22 -6.417 -5.212 -15.999 133 HB2 LYS 22 1HB LYS 22 -8.317 -3.093 -15.904 134 HB3 LYS 22 2HB LYS 22 -7.079 -2.624 -17.051 135 HG2 LYS 22 1HG LYS 22 -7.949 -5.474 -17.241 136 HG3 LYS 22 2HG LYS 22 -9.187 -4.299 -17.639 137 HD2 LYS 22 1HD LYS 22 -8.118 -3.617 -19.560 138 HD3 LYS 22 2HD LYS 22 -6.526 -3.707 -18.834 139 HE2 LYS 22 1HE LYS 22 -6.783 -6.287 -18.942 140 HE3 LYS 22 2HE LYS 22 -8.176 -6.004 -19.968 141 HZ1 LYS 22 1HZ LYS 22 -6.625 -4.601 -21.334 142 HZ2 LYS 22 2HZ LYS 22 -5.394 -5.265 -20.491 143 HZ3 LYS 22 3HZ LYS 22 -6.374 -6.214 -21.389 144 H LEU 23 H LEU 23 -4.948 -4.158 -17.783 145 HA LEU 23 HA LEU 23 -2.941 -3.415 -18.318 146 HB2 LEU 23 1HB LEU 23 -4.185 -1.317 -16.887 147 HB3 LEU 23 2HB LEU 23 -2.513 -1.355 -16.364 148 HG LEU 23 HG LEU 23 -2.151 -1.532 -19.043 149 HD11 LEU 23 1HD1 LEU 23 -3.766 -0.640 -20.331 150 HD12 LEU 23 2HD1 LEU 23 -4.834 -1.150 -19.002 151 HD13 LEU 23 3HD1 LEU 23 -4.264 0.534 -19.089 152 HD21 LEU 23 1HD2 LEU 23 -2.062 1.115 -18.845 153 HD22 LEU 23 2HD2 LEU 23 -2.245 0.741 -17.114 154 HD23 LEU 23 3HD2 LEU 23 -0.878 0.064 -18.032 155 HA PRO 24 HA PRO 24 -0.126 -5.339 -15.675 156 HB2 PRO 24 1HB PRO 24 2.276 -4.435 -16.616 157 HB3 PRO 24 2HB PRO 24 1.362 -5.714 -17.392 158 HG2 PRO 24 1HG PRO 24 1.687 -2.898 -18.230 159 HG3 PRO 24 2HG PRO 24 1.153 -4.271 -19.179 160 HD2 PRO 24 1HD PRO 24 -0.496 -2.196 -18.082 161 HD3 PRO 24 2HD PRO 24 -1.041 -3.629 -18.931 162 H MET 25 H MET 25 2.303 -4.685 -14.595 163 HA MET 25 HA MET 25 1.405 -3.134 -12.450 164 HB2 MET 25 1HB MET 25 4.101 -4.229 -13.371 165 HB3 MET 25 2HB MET 25 4.011 -3.214 -11.945 166 HG2 MET 25 1HG MET 25 2.551 -4.773 -10.803 167 HG3 MET 25 2HG MET 25 2.239 -5.673 -12.274 168 HE1 MET 25 1HE MET 25 6.057 -5.613 -9.766 169 HE2 MET 25 2HE MET 25 4.842 -4.323 -9.937 170 HE3 MET 25 3HE MET 25 4.444 -5.807 -9.039 171 H THR 26 H THR 26 0.667 -1.157 -13.606 172 HA THR 26 HA THR 26 2.099 0.488 -15.188 173 HB THR 26 HB THR 26 0.676 2.283 -14.224 174 HG1 THR 26 1HG THR 26 0.317 0.184 -12.200 175 HG21 THR 26 1HG2 THR 26 -0.376 0.091 -15.409 176 HG22 THR 26 2HG2 THR 26 -1.044 -0.157 -13.778 177 HG23 THR 26 3HG2 THR 26 -1.417 1.334 -14.675 178 H LEU 27 H LEU 27 2.657 -0.117 -11.727 179 HA LEU 27 HA LEU 27 4.906 1.766 -11.903 180 HB2 LEU 27 1HB LEU 27 3.713 0.879 -9.308 181 HB3 LEU 27 2HB LEU 27 4.643 2.318 -9.675 182 HG LEU 27 HG LEU 27 1.837 1.853 -10.712 183 HD11 LEU 27 1HD1 LEU 27 0.943 3.088 -8.912 184 HD12 LEU 27 2HD1 LEU 27 2.025 1.879 -8.179 185 HD13 LEU 27 3HD1 LEU 27 2.555 3.571 -8.333 186 HD21 LEU 27 1HD2 LEU 27 2.772 3.479 -12.068 187 HD22 LEU 27 2HD2 LEU 27 1.996 4.447 -10.792 188 HD23 LEU 27 3HD2 LEU 27 3.753 4.168 -10.753 189 H SER 28 H SER 28 6.963 1.050 -11.314 190 HA SER 28 HA SER 28 7.193 -1.812 -11.305 191 HB2 SER 28 1HB SER 28 9.616 -1.378 -11.587 192 HB3 SER 28 2HB SER 28 8.669 -0.496 -12.768 193 HG SER 28 HG SER 28 10.410 0.479 -10.904 194 H ARG 29 H ARG 29 8.872 -2.820 -9.732 195 HA ARG 29 HA ARG 29 8.053 -2.791 -7.253 196 HB2 ARG 29 1HB ARG 29 10.734 -3.107 -6.743 197 HB3 ARG 29 2HB ARG 29 9.729 -4.358 -7.447 198 HG2 ARG 29 1HG ARG 29 10.638 -4.104 -9.558 199 HG3 ARG 29 2HG ARG 29 10.822 -2.369 -9.392 200 HD2 ARG 29 1HD ARG 29 12.599 -3.460 -7.470 201 HD3 ARG 29 2HD ARG 29 12.778 -4.495 -8.872 202 HE ARG 29 HE ARG 29 12.766 -1.714 -9.670 203 HH11 ARG 29 2HH2 ARG 29 14.803 -4.175 -8.196 204 HH12 ARG 29 1HH2 ARG 29 16.285 -3.430 -8.696 205 HH21 ARG 29 2HH1 ARG 29 14.720 -0.730 -10.330 206 HH22 ARG 29 1HH1 ARG 29 16.237 -1.457 -9.919 207 H GLN 30 H GLN 30 10.944 -0.811 -8.277 208 HA GLN 30 HA GLN 30 11.280 0.538 -5.958 209 HB2 GLN 30 1HB GLN 30 12.812 0.604 -7.929 210 HB3 GLN 30 2HB GLN 30 11.671 1.623 -8.783 211 HG2 GLN 30 1HG GLN 30 12.006 2.933 -6.314 212 HG3 GLN 30 2HG GLN 30 13.614 2.344 -6.687 213 HE21 GLN 30 1HE2 GLN 30 14.818 3.692 -7.760 214 HE22 GLN 30 2HE2 GLN 30 14.311 4.866 -8.928 215 H GLU 31 H GLU 31 9.240 1.529 -8.796 216 HA GLU 31 HA GLU 31 8.373 3.903 -7.765 217 HB2 GLU 31 1HB GLU 31 8.028 2.922 -10.112 218 HB3 GLU 31 2HB GLU 31 6.671 2.028 -9.456 219 HG2 GLU 31 1HG GLU 31 5.716 4.028 -10.355 220 HG3 GLU 31 2HG GLU 31 5.736 4.275 -8.620 221 H VAL 32 H VAL 32 7.583 0.622 -6.816 222 HA VAL 32 HA VAL 32 5.200 1.511 -5.395 223 HB VAL 32 HB VAL 32 6.436 -1.197 -5.916 224 HG11 VAL 32 1HG1 VAL 32 5.229 -0.863 -3.642 225 HG12 VAL 32 2HG1 VAL 32 3.743 -0.788 -4.619 226 HG13 VAL 32 3HG1 VAL 32 4.765 -2.245 -4.663 227 HG21 VAL 32 1HG2 VAL 32 4.671 -1.572 -7.430 228 HG22 VAL 32 2HG2 VAL 32 3.731 -0.190 -6.817 229 HG23 VAL 32 3HG2 VAL 32 5.208 0.090 -7.770 230 H ILE 33 H ILE 33 8.610 0.733 -4.958 231 HA ILE 33 HA ILE 33 8.375 0.312 -2.137 232 HB ILE 33 HB ILE 33 10.672 0.622 -4.056 233 HG12 ILE 33 1HG1 ILE 33 10.088 -1.761 -2.322 234 HG13 ILE 33 2HG1 ILE 33 9.154 -1.504 -3.782 235 HG21 ILE 33 1HG2 ILE 33 10.714 1.174 -1.246 236 HG22 ILE 33 2HG2 ILE 33 11.620 -0.326 -1.559 237 HG23 ILE 33 3HG2 ILE 33 12.056 1.173 -2.416 238 HD11 ILE 33 1HD1 ILE 33 11.129 -1.554 -5.176 239 HD12 ILE 33 2HD1 ILE 33 12.202 -1.471 -3.758 240 HD13 ILE 33 3HD1 ILE 33 11.246 -2.940 -4.066 241 H ARG 34 H ARG 34 9.135 3.019 -4.363 242 HA ARG 34 HA ARG 34 10.144 4.764 -2.539 243 HB2 ARG 34 1HB ARG 34 10.048 5.157 -5.006 244 HB3 ARG 34 2HB ARG 34 8.310 5.361 -4.917 245 HG2 ARG 34 1HG ARG 34 9.596 7.109 -2.971 246 HG3 ARG 34 2HG ARG 34 10.318 7.358 -4.548 247 HD2 ARG 34 1HD ARG 34 8.074 7.726 -5.551 248 HD3 ARG 34 2HD ARG 34 7.308 7.394 -4.010 249 HE ARG 34 HE ARG 34 9.276 9.500 -3.731 250 HH11 ARG 34 2HH2 ARG 34 6.020 8.866 -4.906 251 HH12 ARG 34 1HH2 ARG 34 5.485 10.499 -4.685 252 HH21 ARG 34 2HH1 ARG 34 8.571 11.654 -3.440 253 HH22 ARG 34 1HH1 ARG 34 6.947 12.095 -3.846 254 H ARG 35 H ARG 35 6.742 4.966 -3.831 255 HA ARG 35 HA ARG 35 5.758 6.658 -2.024 256 HB2 ARG 35 1HB ARG 35 4.479 4.279 -3.426 257 HB3 ARG 35 2HB ARG 35 3.521 5.305 -2.377 258 HG2 ARG 35 1HG ARG 35 3.418 6.964 -3.932 259 HG3 ARG 35 2HG ARG 35 5.149 6.922 -4.202 260 HD2 ARG 35 1HD ARG 35 4.967 5.173 -5.845 261 HD3 ARG 35 2HD ARG 35 3.333 4.769 -5.357 262 HE ARG 35 HE ARG 35 2.507 6.579 -6.623 263 HH11 ARG 35 2HH2 ARG 35 6.011 6.782 -6.372 264 HH12 ARG 35 1HH2 ARG 35 6.151 8.035 -7.559 265 HH21 ARG 35 2HH1 ARG 35 2.691 8.232 -8.189 266 HH22 ARG 35 1HH1 ARG 35 4.250 8.866 -8.600 267 H LEU 36 H LEU 36 5.334 3.041 -1.778 268 HA LEU 36 HA LEU 36 4.239 2.840 0.653 269 HB2 LEU 36 1HB LEU 36 6.372 1.138 -0.627 270 HB3 LEU 36 2HB LEU 36 5.571 0.689 0.865 271 HG LEU 36 HG LEU 36 4.243 1.101 -1.827 272 HD11 LEU 36 1HD1 LEU 36 4.066 -1.202 -2.031 273 HD12 LEU 36 2HD1 LEU 36 5.695 -0.993 -1.344 274 HD13 LEU 36 3HD1 LEU 36 4.343 -1.485 -0.295 275 HD21 LEU 36 1HD2 LEU 36 3.094 0.576 0.907 276 HD22 LEU 36 2HD2 LEU 36 2.610 1.783 -0.308 277 HD23 LEU 36 3HD2 LEU 36 2.250 0.060 -0.572 278 H ARG 37 H ARG 37 7.730 3.421 -0.047 279 HA ARG 37 HA ARG 37 8.464 3.320 2.645 280 HB2 ARG 37 1HB ARG 37 9.720 4.218 0.064 281 HB3 ARG 37 2HB ARG 37 10.441 4.843 1.533 282 HG2 ARG 37 1HG ARG 37 10.207 2.226 2.256 283 HG3 ARG 37 2HG ARG 37 10.332 2.020 0.521 284 HD2 ARG 37 1HD ARG 37 12.464 3.228 0.459 285 HD3 ARG 37 2HD ARG 37 12.305 3.699 2.140 286 HE ARG 37 HE ARG 37 12.215 0.800 1.775 287 HH11 ARG 37 2HH2 ARG 37 14.349 3.573 2.141 288 HH12 ARG 37 1HH2 ARG 37 15.674 2.635 2.747 289 HH21 ARG 37 2HH1 ARG 37 13.962 -0.438 2.574 290 HH22 ARG 37 1HH1 ARG 37 15.452 0.338 2.995 291 H GLU 38 H GLU 38 7.908 6.070 0.326 292 HA GLU 38 HA GLU 38 8.374 8.066 2.180 293 HB2 GLU 38 1HB GLU 38 7.181 7.840 -0.529 294 HB3 GLU 38 2HB GLU 38 6.584 9.202 0.397 295 HG2 GLU 38 1HG GLU 38 9.404 9.136 0.840 296 HG3 GLU 38 2HG GLU 38 9.183 8.854 -0.875 297 H ARG 39 H ARG 39 5.821 5.783 1.984 298 HA ARG 39 HA ARG 39 3.977 7.578 3.303 299 HB2 ARG 39 1HB ARG 39 3.525 4.679 2.440 300 HB3 ARG 39 2HB ARG 39 2.289 5.826 2.917 301 HG2 ARG 39 1HG ARG 39 3.963 6.904 0.754 302 HG3 ARG 39 2HG ARG 39 3.248 5.370 0.299 303 HD2 ARG 39 1HD ARG 39 1.196 6.320 0.052 304 HD3 ARG 39 2HD ARG 39 1.253 6.995 1.668 305 HE ARG 39 HE ARG 39 2.942 8.664 0.259 306 HH11 ARG 39 2HH2 ARG 39 -0.359 7.566 -0.269 307 HH12 ARG 39 1HH2 ARG 39 -0.839 9.004 -1.109 308 HH21 ARG 39 2HH1 ARG 39 2.310 10.561 -0.848 309 HH22 ARG 39 1HH1 ARG 39 0.690 10.719 -1.440 310 H GLY 40 H GLY 40 6.365 5.163 3.942 311 HA2 GLY 40 1HA GLY 40 7.127 4.602 6.049 312 HA3 GLY 40 2HA GLY 40 5.606 5.105 6.758 313 H GLU 41 H GLU 41 4.750 3.343 4.037 314 HA GLU 41 HA GLU 41 3.979 1.143 5.650 315 HB2 GLU 41 1HB GLU 41 3.765 1.346 2.622 316 HB3 GLU 41 2HB GLU 41 2.772 0.385 3.700 317 HG2 GLU 41 1HG GLU 41 2.688 3.172 4.541 318 HG3 GLU 41 2HG GLU 41 2.311 3.070 2.832 319 HA PRO 42 HA PRO 42 7.209 -1.580 4.666 320 HB2 PRO 42 1HB PRO 42 5.994 -4.027 4.737 321 HB3 PRO 42 2HB PRO 42 6.475 -3.154 6.178 322 HG2 PRO 42 1HG PRO 42 3.766 -3.523 5.052 323 HG3 PRO 42 2HG PRO 42 4.225 -3.038 6.673 324 HD2 PRO 42 1HD PRO 42 3.241 -1.335 4.585 325 HD3 PRO 42 2HD PRO 42 3.809 -0.834 6.165 326 H ILE 43 H ILE 43 8.382 -1.826 2.880 327 HA ILE 43 HA ILE 43 7.042 -1.844 0.405 328 HB ILE 43 HB ILE 43 9.276 -2.130 -0.534 329 HG12 ILE 43 1HG1 ILE 43 10.511 -2.150 2.194 330 HG13 ILE 43 2HG1 ILE 43 9.930 -3.664 1.530 331 HG21 ILE 43 1HG2 ILE 43 10.305 -0.145 0.977 332 HG22 ILE 43 2HG2 ILE 43 9.030 0.093 -0.242 333 HG23 ILE 43 3HG2 ILE 43 8.599 -0.065 1.478 334 HD11 ILE 43 1HD1 ILE 43 11.398 -2.176 -0.509 335 HD12 ILE 43 2HD1 ILE 43 12.389 -2.389 0.954 336 HD13 ILE 43 3HD1 ILE 43 11.704 -3.809 0.129 337 H ARG 44 H ARG 44 7.729 -4.311 2.729 338 HA ARG 44 HA ARG 44 6.786 -6.239 0.807 339 HB2 ARG 44 1HB ARG 44 9.256 -6.477 0.738 340 HB3 ARG 44 2HB ARG 44 9.318 -6.620 2.484 341 HG2 ARG 44 1HG ARG 44 9.447 -8.846 1.352 342 HG3 ARG 44 2HG ARG 44 8.063 -8.728 2.421 343 HD2 ARG 44 1HD ARG 44 6.571 -8.948 0.700 344 HD3 ARG 44 2HD ARG 44 7.428 -7.800 -0.309 345 HE ARG 44 HE ARG 44 8.489 -9.587 -1.374 346 HH11 ARG 44 2HH2 ARG 44 7.284 -10.683 1.745 347 HH12 ARG 44 1HH2 ARG 44 7.710 -12.340 1.471 348 HH21 ARG 44 2HH1 ARG 44 9.051 -11.772 -1.736 349 HH22 ARG 44 1HH1 ARG 44 8.722 -12.963 -0.523 350 H LEU 45 H LEU 45 4.872 -6.764 1.860 351 HA LEU 45 HA LEU 45 4.791 -6.843 4.729 352 HB2 LEU 45 1HB LEU 45 2.856 -7.011 2.481 353 HB3 LEU 45 2HB LEU 45 2.399 -7.787 3.985 354 HG LEU 45 HG LEU 45 3.144 -5.427 4.999 355 HD11 LEU 45 1HD1 LEU 45 3.843 -4.207 3.170 356 HD12 LEU 45 2HD1 LEU 45 2.605 -4.898 2.094 357 HD13 LEU 45 3HD1 LEU 45 2.146 -3.694 3.322 358 HD21 LEU 45 1HD2 LEU 45 0.744 -6.755 4.500 359 HD22 LEU 45 2HD2 LEU 45 0.995 -5.349 5.563 360 HD23 LEU 45 3HD2 LEU 45 0.486 -5.109 3.875 361 H PHE 46 H PHE 46 3.153 -8.992 5.324 362 HA PHE 46 HA PHE 46 5.012 -11.058 5.506 363 HB2 PHE 46 1HB PHE 46 2.054 -10.572 5.959 364 HB3 PHE 46 2HB PHE 46 2.569 -12.247 5.944 365 HD1 PHE 46 1HD PHE 46 5.062 -12.329 7.321 366 HD2 PHE 46 2HD PHE 46 1.700 -9.866 8.118 367 HE1 PHE 46 1HE PHE 46 5.775 -12.133 9.720 368 HE2 PHE 46 2HE PHE 46 2.412 -9.670 10.517 369 HZ PHE 46 HZ PHE 46 4.441 -10.805 11.289 370 H GLY 47 H GLY 47 5.823 -11.740 3.485 371 HA2 GLY 47 1HA GLY 47 5.871 -12.999 1.624 372 HA3 GLY 47 2HA GLY 47 4.387 -13.758 2.166 373 H GLU 48 H GLU 48 5.355 -10.442 1.002 374 HA GLU 48 HA GLU 48 2.968 -10.533 -0.665 375 HB2 GLU 48 1HB GLU 48 4.221 -8.450 0.977 376 HB3 GLU 48 2HB GLU 48 3.962 -7.893 -0.665 377 HG2 GLU 48 1HG GLU 48 1.565 -9.155 -0.201 378 HG3 GLU 48 2HG GLU 48 1.959 -8.640 1.427 379 H THR 49 H THR 49 3.250 -10.792 -2.838 380 HA THR 49 HA THR 49 5.932 -10.715 -3.896 381 HB THR 49 HB THR 49 4.015 -12.434 -4.368 382 HG1 THR 49 1HG THR 49 5.536 -12.719 -5.947 383 HG21 THR 49 1HG2 THR 49 3.282 -10.171 -6.301 384 HG22 THR 49 2HG2 THR 49 2.641 -11.831 -6.360 385 HG23 THR 49 3HG2 THR 49 2.242 -10.771 -4.987 386 H ASP 50 H ASP 50 6.466 -9.557 -5.926 387 HA ASP 50 HA ASP 50 6.428 -6.942 -5.659 388 HB2 ASP 50 1HB ASP 50 6.476 -8.749 -8.053 389 HB3 ASP 50 2HB ASP 50 6.232 -7.046 -8.385 390 H TYR 51 H TYR 51 3.992 -8.868 -7.568 391 HA TYR 51 HA TYR 51 2.389 -6.759 -8.364 392 HB2 TYR 51 1HB TYR 51 2.523 -9.471 -8.700 393 HB3 TYR 51 2HB TYR 51 1.282 -9.451 -7.464 394 HD1 TYR 51 1HD TYR 51 -0.417 -7.205 -8.115 395 HD2 TYR 51 2HD TYR 51 1.553 -9.935 -10.756 396 HE1 TYR 51 1HE TYR 51 -2.177 -6.764 -9.896 397 HE2 TYR 51 2HE TYR 51 -0.214 -9.485 -12.528 398 HH TYR 51 HH TYR 51 -1.899 -7.134 -12.832 399 H ASP 52 H ASP 52 2.120 -8.876 -5.426 400 HA ASP 52 HA ASP 52 -0.182 -7.822 -4.450 401 HB2 ASP 52 1HB ASP 52 1.997 -9.452 -3.500 402 HB3 ASP 52 2HB ASP 52 1.652 -8.270 -2.253 403 H ALA 53 H ALA 53 3.253 -6.908 -3.610 404 HA ALA 53 HA ALA 53 2.643 -4.772 -1.963 405 HB1 ALA 53 1HB ALA 53 4.855 -5.870 -2.163 406 HB2 ALA 53 2HB ALA 53 5.045 -5.176 -3.791 407 HB3 ALA 53 3HB ALA 53 4.976 -4.106 -2.370 408 H PHE 54 H PHE 54 3.120 -4.941 -5.539 409 HA PHE 54 HA PHE 54 3.037 -2.227 -6.039 410 HB2 PHE 54 1HB PHE 54 3.632 -3.713 -7.826 411 HB3 PHE 54 2HB PHE 54 2.322 -4.819 -7.462 412 HD1 PHE 54 2HD PHE 54 2.673 -1.235 -8.481 413 HD2 PHE 54 1HD PHE 54 0.661 -4.929 -9.042 414 HE1 PHE 54 2HE PHE 54 1.297 -0.208 -10.312 415 HE2 PHE 54 1HE PHE 54 -0.715 -3.902 -10.873 416 HZ PHE 54 HZ PHE 54 -0.380 -1.553 -11.486 417 H GLN 55 H GLN 55 0.313 -4.638 -6.170 418 HA GLN 55 HA GLN 55 -1.647 -2.860 -6.801 419 HB2 GLN 55 1HB GLN 55 -1.810 -5.360 -5.062 420 HB3 GLN 55 2HB GLN 55 -3.207 -4.536 -5.724 421 HG2 GLN 55 1HG GLN 55 -1.019 -5.252 -7.658 422 HG3 GLN 55 2HG GLN 55 -1.962 -6.579 -7.009 423 HE21 GLN 55 1HE2 GLN 55 -4.312 -6.425 -7.134 424 HE22 GLN 55 2HE2 GLN 55 -5.052 -5.657 -8.499 425 H ARG 56 H ARG 56 -0.747 -4.030 -3.472 426 HA ARG 56 HA ARG 56 -2.440 -2.696 -1.976 427 HB2 ARG 56 1HB ARG 56 -0.308 -4.087 -1.335 428 HB3 ARG 56 2HB ARG 56 0.531 -2.549 -1.313 429 HG2 ARG 56 1HG ARG 56 -0.942 -1.677 0.424 430 HG3 ARG 56 2HG ARG 56 -2.022 -3.050 0.280 431 HD2 ARG 56 1HD ARG 56 0.882 -3.576 0.941 432 HD3 ARG 56 2HD ARG 56 -0.159 -2.951 2.205 433 HE ARG 56 HE ARG 56 -0.184 -5.638 1.156 434 HH11 ARG 56 2HH2 ARG 56 -2.334 -3.135 2.378 435 HH12 ARG 56 1HH2 ARG 56 -3.539 -4.256 2.919 436 HH21 ARG 56 2HH1 ARG 56 -1.773 -7.117 1.868 437 HH22 ARG 56 1HH1 ARG 56 -3.218 -6.536 2.627 438 H LEU 57 H LEU 57 0.744 -1.269 -3.044 439 HA LEU 57 HA LEU 57 0.191 1.292 -2.083 440 HB2 LEU 57 1HB LEU 57 2.425 0.600 -2.491 441 HB3 LEU 57 2HB LEU 57 2.088 0.231 -4.170 442 HG LEU 57 HG LEU 57 3.395 2.376 -3.610 443 HD11 LEU 57 1HD1 LEU 57 1.351 3.405 -5.351 444 HD12 LEU 57 2HD1 LEU 57 2.992 2.837 -5.740 445 HD13 LEU 57 3HD1 LEU 57 1.637 1.684 -5.704 446 HD21 LEU 57 1HD2 LEU 57 0.614 3.184 -2.765 447 HD22 LEU 57 2HD2 LEU 57 2.151 3.370 -1.888 448 HD23 LEU 57 3HD2 LEU 57 1.819 4.369 -3.323 449 H ARG 58 H ARG 58 -0.155 -0.149 -5.393 450 HA ARG 58 HA ARG 58 -0.955 2.015 -6.731 451 HB2 ARG 58 1HB ARG 58 -1.083 -0.806 -7.088 452 HB3 ARG 58 2HB ARG 58 -2.711 -0.239 -7.401 453 HG2 ARG 58 1HG ARG 58 -0.352 1.206 -8.645 454 HG3 ARG 58 2HG ARG 58 -0.936 -0.281 -9.364 455 HD2 ARG 58 1HD ARG 58 -3.275 1.253 -8.853 456 HD3 ARG 58 2HD ARG 58 -2.106 2.402 -9.474 457 HE ARG 58 HE ARG 58 -2.140 1.307 -11.560 458 HH11 ARG 58 2HH2 ARG 58 -3.789 -0.654 -9.149 459 HH12 ARG 58 1HH2 ARG 58 -4.437 -1.764 -10.309 460 HH21 ARG 58 2HH1 ARG 58 -2.995 -0.157 -13.092 461 HH22 ARG 58 1HH1 ARG 58 -3.983 -1.480 -12.567 462 H LYS 59 H LYS 59 -2.662 0.343 -4.148 463 HA LYS 59 HA LYS 59 -5.178 1.641 -4.815 464 HB2 LYS 59 1HB LYS 59 -5.463 -0.617 -4.208 465 HB3 LYS 59 2HB LYS 59 -4.353 -0.500 -2.857 466 HG2 LYS 59 1HG LYS 59 -6.669 -0.515 -2.026 467 HG3 LYS 59 2HG LYS 59 -5.928 1.035 -1.679 468 HD2 LYS 59 1HD LYS 59 -6.977 1.886 -3.880 469 HD3 LYS 59 2HD LYS 59 -7.892 0.392 -3.921 470 HE2 LYS 59 1HE LYS 59 -9.019 0.909 -1.839 471 HE3 LYS 59 2HE LYS 59 -7.916 2.223 -1.484 472 HZ1 LYS 59 1HZ LYS 59 -9.654 3.336 -2.372 473 HZ2 LYS 59 2HZ LYS 59 -8.807 3.090 -3.747 474 HZ3 LYS 59 3HZ LYS 59 -10.091 2.142 -3.397 475 H ILE 60 H ILE 60 -2.449 1.772 -2.517 476 HA ILE 60 HA ILE 60 -3.660 3.474 -0.658 477 HB ILE 60 HB ILE 60 -0.810 2.874 -1.407 478 HG12 ILE 60 1HG1 ILE 60 -2.583 2.120 0.932 479 HG13 ILE 60 2HG1 ILE 60 -1.991 1.061 -0.333 480 HG21 ILE 60 1HG2 ILE 60 -0.009 4.174 0.423 481 HG22 ILE 60 2HG2 ILE 60 -1.030 5.235 -0.578 482 HG23 ILE 60 3HG2 ILE 60 -1.662 4.572 0.948 483 HD11 ILE 60 1HD1 ILE 60 -0.201 2.580 1.621 484 HD12 ILE 60 2HD1 ILE 60 -0.660 0.867 1.779 485 HD13 ILE 60 3HD1 ILE 60 0.336 1.398 0.402 486 H GLU 61 H GLU 61 -1.724 4.105 -3.643 487 HA GLU 61 HA GLU 61 -1.514 6.806 -3.373 488 HB2 GLU 61 1HB GLU 61 -1.856 5.125 -5.893 489 HB3 GLU 61 2HB GLU 61 -1.374 6.810 -5.911 490 HG2 GLU 61 1HG GLU 61 0.132 4.666 -4.345 491 HG3 GLU 61 2HG GLU 61 0.545 5.117 -5.988 492 H ILE 62 H ILE 62 -4.272 4.820 -4.511 493 HA ILE 62 HA ILE 62 -5.778 6.976 -5.519 494 HB ILE 62 HB ILE 62 -6.605 4.241 -4.540 495 HG12 ILE 62 1HG1 ILE 62 -6.043 5.222 -7.354 496 HG13 ILE 62 2HG1 ILE 62 -4.933 4.270 -6.389 497 HG21 ILE 62 1HG2 ILE 62 -8.362 5.257 -6.530 498 HG22 ILE 62 2HG2 ILE 62 -8.716 4.842 -4.836 499 HG23 ILE 62 3HG2 ILE 62 -8.206 6.494 -5.258 500 HD11 ILE 62 1HD1 ILE 62 -6.584 3.073 -8.081 501 HD12 ILE 62 2HD1 ILE 62 -6.262 2.342 -6.491 502 HD13 ILE 62 3HD1 ILE 62 -7.759 3.266 -6.758 503 H LEU 63 H LEU 63 -5.991 5.125 -2.396 504 HA LEU 63 HA LEU 63 -7.971 6.455 -1.178 505 HB2 LEU 63 1HB LEU 63 -5.422 5.244 -0.213 506 HB3 LEU 63 2HB LEU 63 -6.387 6.162 0.926 507 HG LEU 63 HG LEU 63 -7.838 4.119 -0.676 508 HD11 LEU 63 1HD1 LEU 63 -6.314 3.103 1.690 509 HD12 LEU 63 2HD1 LEU 63 -6.971 2.228 0.286 510 HD13 LEU 63 3HD1 LEU 63 -5.495 3.208 0.113 511 HD21 LEU 63 1HD2 LEU 63 -8.029 5.444 1.965 512 HD22 LEU 63 2HD2 LEU 63 -9.302 4.953 0.822 513 HD23 LEU 63 3HD2 LEU 63 -8.559 3.746 1.899 514 H THR 64 H THR 64 -4.488 7.480 -0.923 515 HA THR 64 HA THR 64 -4.924 9.863 0.361 516 HB THR 64 HB THR 64 -2.844 8.864 -1.630 517 HG1 THR 64 1HG THR 64 -2.763 7.969 0.485 518 HG21 THR 64 1HG2 THR 64 -1.561 10.803 -1.410 519 HG22 THR 64 2HG2 THR 64 -3.178 11.547 -1.372 520 HG23 THR 64 3HG2 THR 64 -2.305 11.235 0.148 521 HA PRO 65 HA PRO 65 -6.885 12.440 -2.458 522 HB2 PRO 65 1HB PRO 65 -6.316 14.884 -1.376 523 HB3 PRO 65 2HB PRO 65 -7.592 13.844 -0.775 524 HG2 PRO 65 1HG PRO 65 -4.936 14.388 0.403 525 HG3 PRO 65 2HG PRO 65 -6.359 13.713 1.170 526 HD2 PRO 65 1HD PRO 65 -4.031 12.277 0.307 527 HD3 PRO 65 2HD PRO 65 -5.502 11.590 0.967 528 H GLU 66 H GLU 66 -6.278 14.991 -3.347 529 HA GLU 66 HA GLU 66 -5.216 15.885 -5.025 530 HB2 GLU 66 1HB GLU 66 -3.179 15.218 -3.016 531 HB3 GLU 66 2HB GLU 66 -2.484 15.344 -4.619 532 HG2 GLU 66 1HG GLU 66 -4.003 17.556 -4.740 533 HG3 GLU 66 2HG GLU 66 -3.902 17.456 -2.993 534 H VAL 67 H VAL 67 -6.107 14.426 -6.635 535 HA VAL 67 HA VAL 67 -4.160 13.228 -8.242 536 HB VAL 67 HB VAL 67 -4.149 11.543 -6.455 537 HG11 VAL 67 1HG1 VAL 67 -7.045 11.024 -7.207 538 HG12 VAL 67 2HG1 VAL 67 -6.077 10.147 -5.998 539 HG13 VAL 67 3HG1 VAL 67 -6.508 11.852 -5.725 540 HG21 VAL 67 1HG2 VAL 67 -4.995 10.927 -9.250 541 HG22 VAL 67 2HG2 VAL 67 -3.500 10.503 -8.382 542 HG23 VAL 67 3HG2 VAL 67 -4.997 9.588 -8.077 543 H ASN 68 H ASN 68 -4.970 13.077 -10.315 544 HA ASN 68 HA ASN 68 -7.868 13.133 -10.532 545 HB2 ASN 68 1HB ASN 68 -5.835 15.050 -11.703 546 HB3 ASN 68 2HB ASN 68 -7.258 14.678 -12.657 547 HD21 ASN 68 1HD2 ASN 68 -8.084 16.728 -12.502 548 HD22 ASN 68 2HD2 ASN 68 -8.782 17.381 -11.058 549 H LYS 69 H LYS 69 -8.651 12.130 -12.548 550 HA LYS 69 HA LYS 69 -6.810 11.221 -14.510 551 HB2 LYS 69 1HB LYS 69 -6.549 9.643 -12.434 552 HB3 LYS 69 2HB LYS 69 -8.075 8.968 -12.970 553 HG2 LYS 69 1HG LYS 69 -6.143 9.355 -15.183 554 HG3 LYS 69 2HG LYS 69 -5.553 8.265 -13.944 555 HD2 LYS 69 1HD LYS 69 -7.743 6.988 -14.102 556 HD3 LYS 69 2HD LYS 69 -8.208 8.025 -15.436 557 HE2 LYS 69 1HE LYS 69 -7.272 6.139 -16.524 558 HE3 LYS 69 2HE LYS 69 -5.962 7.303 -16.552 559 HZ1 LYS 69 1HZ LYS 69 -4.951 6.238 -14.738 560 HZ2 LYS 69 2HZ LYS 69 -6.254 5.305 -14.424 561 HZ3 LYS 69 3HZ LYS 69 -5.369 5.045 -15.772 562 H GLY 70 H GLY 70 -8.017 9.833 -16.183 563 HA2 GLY 70 1HA GLY 70 -10.408 11.150 -16.879 564 HA3 GLY 70 2HA GLY 70 -9.730 9.722 -17.636 565 H SER 71 H SER 71 -12.579 10.526 -16.764 566 HA SER 71 HA SER 71 -13.212 8.796 -14.636 567 HB2 SER 71 1HB SER 71 -14.490 10.890 -15.537 568 HB3 SER 71 2HB SER 71 -15.179 9.797 -16.722 569 HG SER 71 HG SER 71 -16.060 10.205 -14.256 570 H GLY 72 H GLY 72 -14.834 6.927 -14.900 571 HA2 GLY 72 1HA GLY 72 -14.464 5.519 -17.467 572 HA3 GLY 72 2HA GLY 72 -14.089 4.728 -15.949 573 HA PRO 73 HA PRO 73 -18.796 5.389 -16.309 574 HB2 PRO 73 1HB PRO 73 -19.811 5.669 -18.830 575 HB3 PRO 73 2HB PRO 73 -19.509 7.025 -17.762 576 HG2 PRO 73 1HG PRO 73 -17.958 6.140 -20.118 577 HG3 PRO 73 2HG PRO 73 -17.934 7.694 -19.308 578 HD2 PRO 73 1HD PRO 73 -15.967 5.617 -19.094 579 HD3 PRO 73 2HD PRO 73 -16.004 7.122 -18.197 580 H SER 74 H SER 74 -20.417 3.787 -16.402 581 HA SER 74 HA SER 74 -20.100 1.709 -18.262 582 HB2 SER 74 1HB SER 74 -18.289 1.445 -16.243 583 HB3 SER 74 2HB SER 74 -19.656 0.637 -15.502 584 HG SER 74 HG SER 74 -18.901 -0.016 -18.197 585 H SER 75 H SER 75 -22.228 1.212 -18.627 586 HA SER 75 HA SER 75 -24.178 1.907 -16.725 587 HB2 SER 75 1HB SER 75 -24.650 2.024 -19.123 588 HB3 SER 75 2HB SER 75 -24.323 0.313 -19.320 589 HG SER 75 HG SER 75 -26.600 0.688 -19.209 590 H GLY 76 H GLY 76 -23.888 0.714 -14.789 591 HA2 GLY 76 1HA GLY 76 -23.730 -1.111 -13.444 592 HA3 GLY 76 2HA GLY 76 -25.177 -1.576 -14.315 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -15.062 21.623 -1.140 2 HA2 GLY 1 1HA GLY 1 -13.762 19.490 -0.230 3 HA3 GLY 1 2HA GLY 1 -13.929 20.411 1.252 4 H SER 2 H SER 2 -15.432 18.168 -0.842 5 HA SER 2 HA SER 2 -17.637 17.930 0.829 6 HB2 SER 2 1HB SER 2 -19.454 18.604 -0.710 7 HB3 SER 2 2HB SER 2 -18.443 19.972 -0.288 8 HG SER 2 HG SER 2 -17.752 18.489 -2.626 9 H SER 3 H SER 3 -18.880 16.000 0.289 10 HA SER 3 HA SER 3 -19.151 14.003 -0.514 11 HB2 SER 3 1HB SER 3 -18.189 15.279 -3.110 12 HB3 SER 3 2HB SER 3 -18.820 13.647 -3.022 13 HG SER 3 HG SER 3 -20.684 14.984 -1.793 14 H GLY 4 H GLY 4 -17.972 11.985 -1.374 15 HA2 GLY 4 1HA GLY 4 -15.140 12.124 -1.760 16 HA3 GLY 4 2HA GLY 4 -15.555 11.606 -0.138 17 H SER 5 H SER 5 -15.182 10.642 -3.425 18 HA SER 5 HA SER 5 -15.627 7.960 -2.740 19 HB2 SER 5 1HB SER 5 -17.559 7.414 -4.021 20 HB3 SER 5 2HB SER 5 -18.012 8.838 -3.105 21 HG SER 5 HG SER 5 -18.127 8.524 -5.754 22 H SER 6 H SER 6 -15.534 6.582 -4.968 23 HA SER 6 HA SER 6 -13.144 7.241 -6.140 24 HB2 SER 6 1HB SER 6 -13.748 5.471 -7.828 25 HB3 SER 6 2HB SER 6 -13.958 4.961 -6.164 26 HG SER 6 HG SER 6 -15.763 4.461 -7.711 27 H GLY 7 H GLY 7 -16.450 7.297 -7.683 28 HA2 GLY 7 1HA GLY 7 -17.320 9.020 -8.958 29 HA3 GLY 7 2HA GLY 7 -15.735 9.757 -9.084 30 H THR 8 H THR 8 -17.755 6.997 -10.216 31 HA THR 8 HA THR 8 -15.966 6.765 -12.543 32 HB THR 8 HB THR 8 -17.026 4.456 -12.696 33 HG1 THR 8 1HG THR 8 -18.182 3.974 -10.563 34 HG21 THR 8 1HG2 THR 8 -16.188 4.500 -9.844 35 HG22 THR 8 2HG2 THR 8 -15.511 3.571 -11.204 36 HG23 THR 8 3HG2 THR 8 -15.013 5.260 -10.944 37 H SER 9 H SER 9 -17.426 5.696 -14.465 38 HA SER 9 HA SER 9 -18.663 6.415 -16.128 39 HB2 SER 9 1HB SER 9 -20.223 5.062 -14.608 40 HB3 SER 9 2HB SER 9 -20.870 6.586 -14.033 41 HG SER 9 HG SER 9 -22.129 5.678 -15.794 42 H SER 10 H SER 10 -17.259 8.554 -15.762 43 HA SER 10 HA SER 10 -19.111 10.683 -16.085 44 HB2 SER 10 1HB SER 10 -18.541 10.386 -13.508 45 HB3 SER 10 2HB SER 10 -17.033 11.165 -13.942 46 HG SER 10 HG SER 10 -19.254 12.473 -15.014 47 H ASN 11 H ASN 11 -17.051 12.773 -15.599 48 HA ASN 11 HA ASN 11 -14.871 11.945 -17.279 49 HB2 ASN 11 1HB ASN 11 -16.731 14.264 -18.026 50 HB3 ASN 11 2HB ASN 11 -15.219 13.905 -18.836 51 HD21 ASN 11 1HD2 ASN 11 -15.119 12.385 -20.364 52 HD22 ASN 11 2HD2 ASN 11 -16.435 11.387 -20.886 53 HA PRO 12 HA PRO 12 -13.551 14.856 -14.131 54 HB2 PRO 12 1HB PRO 12 -11.018 13.877 -13.826 55 HB3 PRO 12 2HB PRO 12 -12.389 13.291 -12.904 56 HG2 PRO 12 1HG PRO 12 -10.991 12.002 -15.167 57 HG3 PRO 12 2HG PRO 12 -12.057 11.278 -13.979 58 HD2 PRO 12 1HD PRO 12 -12.707 11.936 -16.694 59 HD3 PRO 12 2HD PRO 12 -13.803 11.320 -15.474 60 H VAL 13 H VAL 13 -11.826 13.982 -17.036 61 HA VAL 13 HA VAL 13 -10.356 15.164 -18.249 62 HB VAL 13 HB VAL 13 -12.875 15.991 -18.564 63 HG11 VAL 13 1HG1 VAL 13 -11.615 18.685 -18.341 64 HG12 VAL 13 2HG1 VAL 13 -13.313 18.189 -18.138 65 HG13 VAL 13 3HG1 VAL 13 -12.139 17.902 -16.831 66 HG21 VAL 13 1HG2 VAL 13 -10.978 17.700 -20.059 67 HG22 VAL 13 2HG2 VAL 13 -10.613 15.958 -20.086 68 HG23 VAL 13 3HG2 VAL 13 -12.197 16.544 -20.647 69 H LEU 14 H LEU 14 -9.848 15.272 -15.338 70 HA LEU 14 HA LEU 14 -7.950 17.370 -15.392 71 HB2 LEU 14 1HB LEU 14 -10.382 18.332 -14.766 72 HB3 LEU 14 2HB LEU 14 -9.865 17.817 -13.172 73 HG LEU 14 HG LEU 14 -7.766 19.187 -13.503 74 HD11 LEU 14 1HD1 LEU 14 -9.290 20.152 -15.935 75 HD12 LEU 14 2HD1 LEU 14 -7.908 21.007 -15.210 76 HD13 LEU 14 3HD1 LEU 14 -7.689 19.376 -15.888 77 HD21 LEU 14 1HD2 LEU 14 -10.527 20.319 -13.257 78 HD22 LEU 14 2HD2 LEU 14 -9.229 20.187 -12.046 79 HD23 LEU 14 3HD2 LEU 14 -9.134 21.426 -13.321 80 H GLU 15 H GLU 15 -6.233 16.684 -14.209 81 HA GLU 15 HA GLU 15 -6.006 14.255 -13.203 82 HB2 GLU 15 1HB GLU 15 -4.107 15.085 -11.848 83 HB3 GLU 15 2HB GLU 15 -4.125 15.825 -13.436 84 HG2 GLU 15 1HG GLU 15 -5.709 17.571 -11.927 85 HG3 GLU 15 2HG GLU 15 -4.482 17.073 -10.778 86 H LEU 16 H LEU 16 -7.097 13.090 -11.686 87 HA LEU 16 HA LEU 16 -7.412 14.017 -9.059 88 HB2 LEU 16 1HB LEU 16 -9.215 15.285 -9.281 89 HB3 LEU 16 2HB LEU 16 -9.526 14.730 -10.914 90 HG LEU 16 HG LEU 16 -10.515 12.615 -9.827 91 HD11 LEU 16 1HD1 LEU 16 -9.773 14.136 -7.458 92 HD12 LEU 16 2HD1 LEU 16 -11.500 13.703 -7.468 93 HD13 LEU 16 3HD1 LEU 16 -10.263 12.433 -7.623 94 HD21 LEU 16 1HD2 LEU 16 -12.699 13.773 -9.417 95 HD22 LEU 16 2HD2 LEU 16 -11.847 15.324 -9.609 96 HD23 LEU 16 3HD2 LEU 16 -11.919 14.175 -10.966 97 H GLU 17 H GLU 17 -7.232 12.195 -7.873 98 HA GLU 17 HA GLU 17 -6.966 9.749 -8.854 99 HB2 GLU 17 1HB GLU 17 -8.248 10.483 -6.185 100 HB3 GLU 17 2HB GLU 17 -7.605 8.899 -6.569 101 HG2 GLU 17 1HG GLU 17 -6.029 11.515 -6.497 102 HG3 GLU 17 2HG GLU 17 -5.930 10.216 -5.324 103 H LEU 18 H LEU 18 -8.328 7.773 -8.908 104 HA LEU 18 HA LEU 18 -11.174 8.138 -8.811 105 HB2 LEU 18 1HB LEU 18 -9.991 8.790 -11.189 106 HB3 LEU 18 2HB LEU 18 -10.355 7.094 -11.435 107 HG LEU 18 HG LEU 18 -12.686 8.248 -10.308 108 HD11 LEU 18 1HD1 LEU 18 -11.816 10.452 -10.899 109 HD12 LEU 18 2HD1 LEU 18 -11.588 9.923 -12.583 110 HD13 LEU 18 3HD1 LEU 18 -13.227 10.028 -11.898 111 HD21 LEU 18 1HD2 LEU 18 -13.113 6.516 -11.720 112 HD22 LEU 18 2HD2 LEU 18 -13.413 7.867 -12.839 113 HD23 LEU 18 3HD2 LEU 18 -11.859 7.001 -12.886 114 H ALA 19 H ALA 19 -11.578 5.739 -10.552 115 HA ALA 19 HA ALA 19 -10.328 3.759 -8.771 116 HB1 ALA 19 1HB ALA 19 -12.445 3.320 -8.127 117 HB2 ALA 19 2HB ALA 19 -13.130 4.326 -9.425 118 HB3 ALA 19 3HB ALA 19 -12.685 2.634 -9.752 119 H GLU 20 H GLU 20 -8.872 4.520 -10.951 120 HA GLU 20 HA GLU 20 -9.546 2.519 -12.959 121 HB2 GLU 20 1HB GLU 20 -9.013 5.193 -13.320 122 HB3 GLU 20 2HB GLU 20 -7.416 4.514 -13.560 123 HG2 GLU 20 1HG GLU 20 -9.299 2.827 -14.950 124 HG3 GLU 20 2HG GLU 20 -9.664 4.488 -15.373 125 H GLU 21 H GLU 21 -8.599 0.641 -12.124 126 HA GLU 21 HA GLU 21 -5.745 0.877 -11.565 127 HB2 GLU 21 1HB GLU 21 -6.119 -1.293 -10.234 128 HB3 GLU 21 2HB GLU 21 -6.779 0.176 -9.543 129 HG2 GLU 21 1HG GLU 21 -9.000 -0.408 -10.047 130 HG3 GLU 21 2HG GLU 21 -8.540 -1.438 -11.389 131 H LYS 22 H LYS 22 -7.197 0.512 -14.198 132 HA LYS 22 HA LYS 22 -6.868 -2.212 -14.933 133 HB2 LYS 22 1HB LYS 22 -8.146 0.041 -15.976 134 HB3 LYS 22 2HB LYS 22 -6.875 -0.297 -17.134 135 HG2 LYS 22 1HG LYS 22 -7.720 -2.829 -16.808 136 HG3 LYS 22 2HG LYS 22 -9.198 -2.035 -16.300 137 HD2 LYS 22 1HD LYS 22 -8.886 -0.608 -18.511 138 HD3 LYS 22 2HD LYS 22 -7.821 -1.911 -18.998 139 HE2 LYS 22 1HE LYS 22 -10.025 -3.312 -18.039 140 HE3 LYS 22 2HE LYS 22 -10.781 -1.892 -18.735 141 HZ1 LYS 22 1HZ LYS 22 -10.430 -2.754 -20.712 142 HZ2 LYS 22 2HZ LYS 22 -8.814 -2.770 -20.482 143 HZ3 LYS 22 3HZ LYS 22 -9.710 -4.069 -20.064 144 H LEU 23 H LEU 23 -5.513 -1.998 -17.431 145 HA LEU 23 HA LEU 23 -3.483 -2.220 -18.267 146 HB2 LEU 23 1HB LEU 23 -3.397 0.318 -16.786 147 HB3 LEU 23 2HB LEU 23 -1.822 -0.386 -17.098 148 HG LEU 23 HG LEU 23 -3.370 -0.511 -19.514 149 HD11 LEU 23 1HD1 LEU 23 -4.274 1.527 -19.842 150 HD12 LEU 23 2HD1 LEU 23 -4.382 1.534 -18.065 151 HD13 LEU 23 3HD1 LEU 23 -3.031 2.360 -18.878 152 HD21 LEU 23 1HD2 LEU 23 -0.828 0.816 -18.603 153 HD22 LEU 23 2HD2 LEU 23 -1.058 -0.545 -19.727 154 HD23 LEU 23 3HD2 LEU 23 -1.482 1.109 -20.232 155 HA PRO 24 HA PRO 24 -1.241 -4.759 -15.595 156 HB2 PRO 24 1HB PRO 24 1.120 -5.063 -16.937 157 HB3 PRO 24 2HB PRO 24 -0.337 -5.946 -17.349 158 HG2 PRO 24 1HG PRO 24 0.904 -3.658 -18.752 159 HG3 PRO 24 2HG PRO 24 -0.276 -4.806 -19.353 160 HD2 PRO 24 1HD PRO 24 -0.777 -2.107 -18.521 161 HD3 PRO 24 2HD PRO 24 -1.972 -3.291 -19.012 162 H MET 25 H MET 25 1.371 -5.033 -14.882 163 HA MET 25 HA MET 25 1.590 -3.270 -12.864 164 HB2 MET 25 1HB MET 25 3.243 -5.251 -14.205 165 HB3 MET 25 2HB MET 25 4.260 -3.876 -13.824 166 HG2 MET 25 1HG MET 25 2.846 -4.135 -11.464 167 HG3 MET 25 2HG MET 25 2.917 -5.807 -11.985 168 HE1 MET 25 1HE MET 25 5.770 -5.437 -9.332 169 HE2 MET 25 2HE MET 25 4.023 -5.110 -9.440 170 HE3 MET 25 3HE MET 25 4.673 -6.672 -9.993 171 H THR 26 H THR 26 1.358 -1.061 -13.134 172 HA THR 26 HA THR 26 2.818 0.236 -15.292 173 HB THR 26 HB THR 26 1.468 2.231 -14.402 174 HG1 THR 26 1HG THR 26 0.088 1.717 -12.648 175 HG21 THR 26 1HG2 THR 26 -0.319 1.580 -15.685 176 HG22 THR 26 2HG2 THR 26 0.553 0.047 -15.924 177 HG23 THR 26 3HG2 THR 26 -0.655 0.189 -14.625 178 H LEU 27 H LEU 27 2.802 -0.009 -11.717 179 HA LEU 27 HA LEU 27 5.212 1.666 -11.729 180 HB2 LEU 27 1HB LEU 27 3.708 0.994 -9.240 181 HB3 LEU 27 2HB LEU 27 4.696 2.392 -9.612 182 HG LEU 27 HG LEU 27 2.020 1.898 -10.931 183 HD11 LEU 27 1HD1 LEU 27 2.654 3.094 -8.259 184 HD12 LEU 27 2HD1 LEU 27 1.326 3.774 -9.230 185 HD13 LEU 27 3HD1 LEU 27 1.296 2.058 -8.757 186 HD21 LEU 27 1HD2 LEU 27 3.968 4.178 -10.842 187 HD22 LEU 27 2HD2 LEU 27 3.100 3.470 -12.225 188 HD23 LEU 27 3HD2 LEU 27 2.231 4.499 -11.061 189 H SER 28 H SER 28 7.109 0.607 -11.588 190 HA SER 28 HA SER 28 7.138 -2.153 -11.111 191 HB2 SER 28 1HB SER 28 9.418 -0.127 -11.189 192 HB3 SER 28 2HB SER 28 9.635 -1.866 -11.204 193 HG SER 28 HG SER 28 8.796 -0.136 -13.262 194 H ARG 29 H ARG 29 8.670 -3.163 -9.386 195 HA ARG 29 HA ARG 29 7.729 -2.913 -6.964 196 HB2 ARG 29 1HB ARG 29 10.351 -3.367 -6.286 197 HB3 ARG 29 2HB ARG 29 9.301 -4.595 -6.963 198 HG2 ARG 29 1HG ARG 29 10.332 -4.544 -9.032 199 HG3 ARG 29 2HG ARG 29 10.626 -2.818 -8.967 200 HD2 ARG 29 1HD ARG 29 12.400 -3.334 -7.145 201 HD3 ARG 29 2HD ARG 29 12.225 -5.020 -7.592 202 HE ARG 29 HE ARG 29 13.483 -2.900 -9.197 203 HH11 ARG 29 2HH2 ARG 29 12.085 -6.129 -9.221 204 HH12 ARG 29 1HH2 ARG 29 12.902 -6.611 -10.670 205 HH21 ARG 29 2HH1 ARG 29 14.562 -3.536 -11.109 206 HH22 ARG 29 1HH1 ARG 29 14.321 -5.126 -11.751 207 H GLN 30 H GLN 30 10.821 -1.223 -7.917 208 HA GLN 30 HA GLN 30 11.119 0.262 -5.686 209 HB2 GLN 30 1HB GLN 30 12.170 0.236 -8.367 210 HB3 GLN 30 2HB GLN 30 11.864 1.906 -7.932 211 HG2 GLN 30 1HG GLN 30 13.014 0.909 -5.601 212 HG3 GLN 30 2HG GLN 30 13.869 0.010 -6.839 213 HE21 GLN 30 1HE2 GLN 30 15.261 1.705 -5.313 214 HE22 GLN 30 2HE2 GLN 30 15.760 3.115 -6.187 215 H GLU 31 H GLU 31 9.339 1.230 -8.705 216 HA GLU 31 HA GLU 31 8.585 3.709 -7.905 217 HB2 GLU 31 1HB GLU 31 8.233 2.508 -10.164 218 HB3 GLU 31 2HB GLU 31 6.770 1.835 -9.472 219 HG2 GLU 31 1HG GLU 31 6.139 3.847 -10.667 220 HG3 GLU 31 2HG GLU 31 5.988 4.191 -8.955 221 H VAL 32 H VAL 32 7.505 0.585 -6.720 222 HA VAL 32 HA VAL 32 5.152 1.760 -5.474 223 HB VAL 32 HB VAL 32 6.231 -1.037 -5.782 224 HG11 VAL 32 1HG1 VAL 32 5.154 -1.720 -3.954 225 HG12 VAL 32 2HG1 VAL 32 4.637 -0.051 -3.613 226 HG13 VAL 32 3HG1 VAL 32 3.627 -1.106 -4.632 227 HG21 VAL 32 1HG2 VAL 32 3.449 -0.410 -6.523 228 HG22 VAL 32 2HG2 VAL 32 4.675 0.488 -7.450 229 HG23 VAL 32 3HG2 VAL 32 4.708 -1.291 -7.421 230 H ILE 33 H ILE 33 8.428 0.524 -4.753 231 HA ILE 33 HA ILE 33 8.091 0.485 -1.953 232 HB ILE 33 HB ILE 33 10.443 0.482 -3.819 233 HG12 ILE 33 1HG1 ILE 33 9.747 -1.628 -1.798 234 HG13 ILE 33 2HG1 ILE 33 8.824 -1.521 -3.284 235 HG21 ILE 33 1HG2 ILE 33 11.408 -0.179 -1.278 236 HG22 ILE 33 2HG2 ILE 33 11.781 1.276 -2.233 237 HG23 ILE 33 3HG2 ILE 33 10.458 1.307 -1.042 238 HD11 ILE 33 1HD1 ILE 33 10.906 -1.692 -4.623 239 HD12 ILE 33 2HD1 ILE 33 11.865 -1.755 -3.125 240 HD13 ILE 33 3HD1 ILE 33 10.745 -3.080 -3.520 241 H ARG 34 H ARG 34 9.088 2.972 -4.338 242 HA ARG 34 HA ARG 34 10.132 4.800 -2.639 243 HB2 ARG 34 1HB ARG 34 9.387 4.725 -5.330 244 HB3 ARG 34 2HB ARG 34 8.339 5.979 -4.696 245 HG2 ARG 34 1HG ARG 34 10.418 7.039 -3.627 246 HG3 ARG 34 2HG ARG 34 11.384 5.879 -4.517 247 HD2 ARG 34 1HD ARG 34 9.875 6.816 -6.577 248 HD3 ARG 34 2HD ARG 34 9.813 8.229 -5.543 249 HE ARG 34 HE ARG 34 12.492 7.619 -5.509 250 HH11 ARG 34 2HH2 ARG 34 10.180 8.014 -8.131 251 HH12 ARG 34 1HH2 ARG 34 11.367 8.567 -9.265 252 HH21 ARG 34 2HH1 ARG 34 14.059 8.348 -7.004 253 HH22 ARG 34 1HH1 ARG 34 13.588 8.758 -8.620 254 H ARG 35 H ARG 35 6.749 5.058 -3.971 255 HA ARG 35 HA ARG 35 5.846 6.918 -2.275 256 HB2 ARG 35 1HB ARG 35 4.431 4.535 -3.544 257 HB3 ARG 35 2HB ARG 35 3.537 5.716 -2.607 258 HG2 ARG 35 1HG ARG 35 3.602 7.250 -4.290 259 HG3 ARG 35 2HG ARG 35 5.327 7.039 -4.519 260 HD2 ARG 35 1HD ARG 35 5.026 5.205 -6.034 261 HD3 ARG 35 2HD ARG 35 3.371 4.938 -5.524 262 HE ARG 35 HE ARG 35 2.660 6.640 -6.976 263 HH11 ARG 35 2HH2 ARG 35 6.148 6.839 -6.556 264 HH12 ARG 35 1HH2 ARG 35 6.358 8.028 -7.798 265 HH21 ARG 35 2HH1 ARG 35 2.936 8.209 -8.614 266 HH22 ARG 35 1HH1 ARG 35 4.519 8.813 -8.976 267 H LEU 36 H LEU 36 5.279 3.337 -1.850 268 HA LEU 36 HA LEU 36 4.107 3.301 0.554 269 HB2 LEU 36 1HB LEU 36 6.236 1.468 -0.543 270 HB3 LEU 36 2HB LEU 36 5.336 1.124 0.921 271 HG LEU 36 HG LEU 36 4.163 1.458 -1.854 272 HD11 LEU 36 1HD1 LEU 36 5.452 -0.619 -1.552 273 HD12 LEU 36 2HD1 LEU 36 4.445 -1.028 -0.142 274 HD13 LEU 36 3HD1 LEU 36 3.711 -0.926 -1.761 275 HD21 LEU 36 1HD2 LEU 36 2.856 0.983 0.827 276 HD22 LEU 36 2HD2 LEU 36 2.509 2.248 -0.376 277 HD23 LEU 36 3HD2 LEU 36 2.073 0.556 -0.713 278 H ARG 37 H ARG 37 7.711 3.314 0.075 279 HA ARG 37 HA ARG 37 8.349 3.451 2.712 280 HB2 ARG 37 1HB ARG 37 9.680 4.290 0.146 281 HB3 ARG 37 2HB ARG 37 10.391 4.898 1.628 282 HG2 ARG 37 1HG ARG 37 10.262 2.412 2.465 283 HG3 ARG 37 2HG ARG 37 10.020 2.004 0.778 284 HD2 ARG 37 1HD ARG 37 12.168 2.823 0.136 285 HD3 ARG 37 2HD ARG 37 12.335 3.797 1.583 286 HE ARG 37 HE ARG 37 12.117 0.911 2.103 287 HH11 ARG 37 2HH2 ARG 37 14.299 3.599 1.476 288 HH12 ARG 37 1HH2 ARG 37 15.674 2.813 2.178 289 HH21 ARG 37 2HH1 ARG 37 13.930 -0.126 3.029 290 HH22 ARG 37 1HH1 ARG 37 15.463 0.680 3.067 291 H GLU 38 H GLU 38 7.641 6.113 0.365 292 HA GLU 38 HA GLU 38 8.147 8.125 2.288 293 HB2 GLU 38 1HB GLU 38 7.135 8.006 -0.537 294 HB3 GLU 38 2HB GLU 38 6.749 9.446 0.385 295 HG2 GLU 38 1HG GLU 38 9.578 8.323 0.142 296 HG3 GLU 38 2HG GLU 38 8.937 9.552 -0.930 297 H ARG 39 H ARG 39 5.745 5.840 2.128 298 HA ARG 39 HA ARG 39 3.714 7.707 3.038 299 HB2 ARG 39 1HB ARG 39 3.544 4.850 1.972 300 HB3 ARG 39 2HB ARG 39 2.177 5.640 2.734 301 HG2 ARG 39 1HG ARG 39 3.444 7.351 0.691 302 HG3 ARG 39 2HG ARG 39 2.904 5.823 0.024 303 HD2 ARG 39 1HD ARG 39 0.736 6.497 0.095 304 HD3 ARG 39 2HD ARG 39 0.849 6.824 1.813 305 HE ARG 39 HE ARG 39 1.134 8.778 -0.367 306 HH11 ARG 39 2HH2 ARG 39 1.721 8.107 3.037 307 HH12 ARG 39 1HH2 ARG 39 1.829 9.778 3.480 308 HH21 ARG 39 2HH1 ARG 39 1.276 10.983 0.217 309 HH22 ARG 39 1HH1 ARG 39 1.573 11.425 1.865 310 H GLY 40 H GLY 40 5.756 4.928 3.890 311 HA2 GLY 40 1HA GLY 40 6.381 4.506 6.110 312 HA3 GLY 40 2HA GLY 40 4.865 5.176 6.678 313 H GLU 41 H GLU 41 5.212 2.866 3.941 314 HA GLU 41 HA GLU 41 3.740 0.960 5.586 315 HB2 GLU 41 1HB GLU 41 3.719 0.692 2.604 316 HB3 GLU 41 2HB GLU 41 2.440 0.380 3.761 317 HG2 GLU 41 1HG GLU 41 3.431 3.179 3.046 318 HG3 GLU 41 2HG GLU 41 2.052 2.412 2.284 319 HA PRO 42 HA PRO 42 6.874 -1.960 4.878 320 HB2 PRO 42 1HB PRO 42 5.554 -4.334 4.573 321 HB3 PRO 42 2HB PRO 42 5.826 -3.581 6.132 322 HG2 PRO 42 1HG PRO 42 3.331 -3.726 4.553 323 HG3 PRO 42 2HG PRO 42 3.532 -3.370 6.257 324 HD2 PRO 42 1HD PRO 42 2.991 -1.486 4.163 325 HD3 PRO 42 2HD PRO 42 3.307 -1.119 5.847 326 H ILE 43 H ILE 43 8.280 -1.947 3.253 327 HA ILE 43 HA ILE 43 7.420 -1.763 0.626 328 HB ILE 43 HB ILE 43 9.781 -2.317 0.079 329 HG12 ILE 43 1HG1 ILE 43 10.479 -2.331 2.982 330 HG13 ILE 43 2HG1 ILE 43 9.855 -3.817 2.294 331 HG21 ILE 43 1HG2 ILE 43 10.667 -0.370 1.668 332 HG22 ILE 43 2HG2 ILE 43 9.566 -0.065 0.304 333 HG23 ILE 43 3HG2 ILE 43 8.923 -0.172 1.960 334 HD11 ILE 43 1HD1 ILE 43 11.702 -4.141 0.945 335 HD12 ILE 43 2HD1 ILE 43 11.945 -2.398 0.681 336 HD13 ILE 43 3HD1 ILE 43 12.481 -3.152 2.202 337 H ARG 44 H ARG 44 7.631 -4.505 2.781 338 HA ARG 44 HA ARG 44 6.600 -6.130 0.672 339 HB2 ARG 44 1HB ARG 44 9.008 -6.539 0.383 340 HB3 ARG 44 2HB ARG 44 9.215 -6.819 2.100 341 HG2 ARG 44 1HG ARG 44 9.135 -8.987 1.012 342 HG3 ARG 44 2HG ARG 44 7.649 -8.801 1.923 343 HD2 ARG 44 1HD ARG 44 6.475 -9.179 0.017 344 HD3 ARG 44 2HD ARG 44 7.100 -7.678 -0.636 345 HE ARG 44 HE ARG 44 8.440 -8.947 -2.053 346 HH11 ARG 44 2HH2 ARG 44 7.766 -10.851 0.828 347 HH12 ARG 44 1HH2 ARG 44 8.616 -12.249 0.258 348 HH21 ARG 44 2HH1 ARG 44 9.562 -10.790 -2.805 349 HH22 ARG 44 1HH1 ARG 44 9.645 -12.214 -1.822 350 H LEU 45 H LEU 45 4.863 -7.172 1.597 351 HA LEU 45 HA LEU 45 4.718 -7.311 4.470 352 HB2 LEU 45 1HB LEU 45 2.860 -7.629 2.173 353 HB3 LEU 45 2HB LEU 45 2.463 -8.493 3.645 354 HG LEU 45 HG LEU 45 3.129 -5.574 3.822 355 HD11 LEU 45 1HD1 LEU 45 1.187 -4.794 2.954 356 HD12 LEU 45 2HD1 LEU 45 1.349 -6.247 1.939 357 HD13 LEU 45 3HD1 LEU 45 0.276 -6.268 3.359 358 HD21 LEU 45 1HD2 LEU 45 2.336 -5.752 5.894 359 HD22 LEU 45 2HD2 LEU 45 0.866 -6.594 5.347 360 HD23 LEU 45 3HD2 LEU 45 2.359 -7.515 5.648 361 H PHE 46 H PHE 46 3.462 -9.592 5.133 362 HA PHE 46 HA PHE 46 5.542 -11.469 5.069 363 HB2 PHE 46 1HB PHE 46 3.241 -10.932 6.533 364 HB3 PHE 46 2HB PHE 46 2.688 -12.300 5.587 365 HD1 PHE 46 2HD PHE 46 5.290 -11.219 7.990 366 HD2 PHE 46 1HD PHE 46 3.323 -14.499 6.152 367 HE1 PHE 46 2HE PHE 46 6.389 -12.786 9.612 368 HE2 PHE 46 1HE PHE 46 4.423 -16.067 7.775 369 HZ PHE 46 HZ PHE 46 5.943 -15.192 9.485 370 H GLY 47 H GLY 47 6.150 -12.328 3.095 371 HA2 GLY 47 1HA GLY 47 6.033 -13.635 1.272 372 HA3 GLY 47 2HA GLY 47 4.574 -14.341 1.939 373 H GLU 48 H GLU 48 5.443 -11.013 0.742 374 HA GLU 48 HA GLU 48 3.005 -11.152 -0.845 375 HB2 GLU 48 1HB GLU 48 4.119 -9.120 0.874 376 HB3 GLU 48 2HB GLU 48 4.069 -8.482 -0.757 377 HG2 GLU 48 1HG GLU 48 1.606 -9.637 -0.690 378 HG3 GLU 48 2HG GLU 48 1.804 -9.329 1.024 379 H THR 49 H THR 49 3.144 -11.157 -3.063 380 HA THR 49 HA THR 49 5.789 -11.148 -4.221 381 HB THR 49 HB THR 49 3.710 -12.703 -4.717 382 HG1 THR 49 1HG THR 49 5.089 -11.274 -6.875 383 HG21 THR 49 1HG2 THR 49 2.383 -11.908 -6.655 384 HG22 THR 49 2HG2 THR 49 2.115 -10.826 -5.268 385 HG23 THR 49 3HG2 THR 49 3.201 -10.329 -6.588 386 H ASP 50 H ASP 50 6.400 -9.837 -6.081 387 HA ASP 50 HA ASP 50 6.417 -7.247 -5.630 388 HB2 ASP 50 1HB ASP 50 6.292 -8.750 -8.267 389 HB3 ASP 50 2HB ASP 50 6.478 -7.008 -8.253 390 H TYR 51 H TYR 51 4.023 -8.926 -7.815 391 HA TYR 51 HA TYR 51 2.484 -6.736 -8.458 392 HB2 TYR 51 1HB TYR 51 2.567 -9.414 -9.009 393 HB3 TYR 51 2HB TYR 51 1.286 -9.462 -7.815 394 HD1 TYR 51 2HD TYR 51 -0.450 -7.285 -8.287 395 HD2 TYR 51 1HD TYR 51 1.768 -9.529 -11.176 396 HE1 TYR 51 2HE TYR 51 -2.138 -6.657 -10.081 397 HE2 TYR 51 1HE TYR 51 0.073 -8.893 -12.961 398 HH TYR 51 HH TYR 51 -1.545 -7.342 -13.431 399 H ASP 52 H ASP 52 2.311 -8.916 -5.589 400 HA ASP 52 HA ASP 52 -0.085 -8.003 -4.620 401 HB2 ASP 52 1HB ASP 52 2.175 -9.572 -3.689 402 HB3 ASP 52 2HB ASP 52 1.670 -8.498 -2.400 403 H ALA 53 H ALA 53 3.320 -7.044 -3.710 404 HA ALA 53 HA ALA 53 2.592 -4.963 -2.008 405 HB1 ALA 53 1HB ALA 53 5.110 -5.332 -3.681 406 HB2 ALA 53 2HB ALA 53 4.947 -4.289 -2.248 407 HB3 ALA 53 3HB ALA 53 4.813 -6.057 -2.083 408 H PHE 54 H PHE 54 3.041 -5.152 -5.557 409 HA PHE 54 HA PHE 54 3.116 -2.415 -6.052 410 HB2 PHE 54 1HB PHE 54 3.688 -3.925 -7.829 411 HB3 PHE 54 2HB PHE 54 2.327 -4.977 -7.492 412 HD1 PHE 54 2HD PHE 54 2.617 -1.334 -8.291 413 HD2 PHE 54 1HD PHE 54 0.917 -5.088 -9.303 414 HE1 PHE 54 2HE PHE 54 1.318 -0.246 -10.143 415 HE2 PHE 54 1HE PHE 54 -0.382 -4.000 -11.155 416 HZ PHE 54 HZ PHE 54 -0.166 -1.592 -11.553 417 H GLN 55 H GLN 55 0.305 -4.693 -6.477 418 HA GLN 55 HA GLN 55 -1.565 -2.845 -7.037 419 HB2 GLN 55 1HB GLN 55 -1.839 -5.396 -5.392 420 HB3 GLN 55 2HB GLN 55 -3.211 -4.490 -5.997 421 HG2 GLN 55 1HG GLN 55 -1.046 -5.244 -7.959 422 HG3 GLN 55 2HG GLN 55 -2.121 -6.510 -7.401 423 HE21 GLN 55 1HE2 GLN 55 -3.861 -6.831 -8.543 424 HE22 GLN 55 2HE2 GLN 55 -4.699 -5.683 -9.533 425 H ARG 56 H ARG 56 -0.590 -3.999 -3.737 426 HA ARG 56 HA ARG 56 -2.338 -2.716 -2.216 427 HB2 ARG 56 1HB ARG 56 -0.242 -4.115 -1.560 428 HB3 ARG 56 2HB ARG 56 0.649 -2.606 -1.595 429 HG2 ARG 56 1HG ARG 56 -0.516 -1.707 0.248 430 HG3 ARG 56 2HG ARG 56 -1.920 -2.725 -0.005 431 HD2 ARG 56 1HD ARG 56 0.805 -3.765 0.914 432 HD3 ARG 56 2HD ARG 56 -0.524 -3.400 1.997 433 HE ARG 56 HE ARG 56 -0.260 -5.763 0.343 434 HH11 ARG 56 2HH2 ARG 56 -2.645 -3.556 1.694 435 HH12 ARG 56 1HH2 ARG 56 -3.922 -4.727 1.685 436 HH21 ARG 56 2HH1 ARG 56 -1.944 -7.308 0.331 437 HH22 ARG 56 1HH1 ARG 56 -3.520 -6.875 0.904 438 H LEU 57 H LEU 57 0.874 -1.262 -3.161 439 HA LEU 57 HA LEU 57 0.316 1.278 -2.210 440 HB2 LEU 57 1HB LEU 57 2.543 0.610 -2.656 441 HB3 LEU 57 2HB LEU 57 2.186 0.244 -4.332 442 HG LEU 57 HG LEU 57 3.494 2.388 -3.795 443 HD11 LEU 57 1HD1 LEU 57 1.676 1.711 -5.847 444 HD12 LEU 57 2HD1 LEU 57 1.414 3.433 -5.480 445 HD13 LEU 57 3HD1 LEU 57 3.040 2.853 -5.915 446 HD21 LEU 57 1HD2 LEU 57 1.950 4.381 -3.444 447 HD22 LEU 57 2HD2 LEU 57 0.728 3.206 -2.901 448 HD23 LEU 57 3HD2 LEU 57 2.273 3.352 -2.028 449 H ARG 58 H ARG 58 -0.094 -0.114 -5.533 450 HA ARG 58 HA ARG 58 -0.902 2.069 -6.833 451 HB2 ARG 58 1HB ARG 58 -1.025 -0.728 -7.241 452 HB3 ARG 58 2HB ARG 58 -2.681 -0.198 -7.453 453 HG2 ARG 58 1HG ARG 58 -0.660 1.546 -8.776 454 HG3 ARG 58 2HG ARG 58 -0.728 -0.086 -9.410 455 HD2 ARG 58 1HD ARG 58 -3.286 1.500 -8.986 456 HD3 ARG 58 2HD ARG 58 -2.325 1.742 -10.430 457 HE ARG 58 HE ARG 58 -3.867 -0.671 -9.731 458 HH11 ARG 58 2HH2 ARG 58 -1.387 0.723 -11.801 459 HH12 ARG 58 1HH2 ARG 58 -1.551 -0.487 -13.029 460 HH21 ARG 58 2HH1 ARG 58 -4.084 -2.268 -11.351 461 HH22 ARG 58 1HH1 ARG 58 -3.096 -2.200 -12.771 462 H LYS 59 H LYS 59 -2.575 0.387 -4.234 463 HA LYS 59 HA LYS 59 -5.090 1.715 -4.839 464 HB2 LYS 59 1HB LYS 59 -4.508 -0.775 -3.844 465 HB3 LYS 59 2HB LYS 59 -4.858 0.110 -2.373 466 HG2 LYS 59 1HG LYS 59 -7.012 0.919 -3.400 467 HG3 LYS 59 2HG LYS 59 -6.665 -0.028 -4.834 468 HD2 LYS 59 1HD LYS 59 -6.861 -2.108 -3.653 469 HD3 LYS 59 2HD LYS 59 -6.732 -1.332 -2.088 470 HE2 LYS 59 1HE LYS 59 -8.932 -0.164 -2.524 471 HE3 LYS 59 2HE LYS 59 -9.067 -1.037 -4.038 472 HZ1 LYS 59 1HZ LYS 59 -8.786 -2.352 -1.427 473 HZ2 LYS 59 2HZ LYS 59 -10.218 -2.089 -2.166 474 HZ3 LYS 59 3HZ LYS 59 -9.112 -3.075 -2.854 475 H ILE 60 H ILE 60 -2.327 1.786 -2.573 476 HA ILE 60 HA ILE 60 -3.480 3.487 -0.684 477 HB ILE 60 HB ILE 60 -0.655 2.859 -1.495 478 HG12 ILE 60 1HG1 ILE 60 -2.417 2.112 0.851 479 HG13 ILE 60 2HG1 ILE 60 -1.787 1.054 -0.396 480 HG21 ILE 60 1HG2 ILE 60 -1.541 5.174 -0.031 481 HG22 ILE 60 2HG2 ILE 60 -0.614 4.094 1.038 482 HG23 ILE 60 3HG2 ILE 60 0.108 4.678 -0.481 483 HD11 ILE 60 1HD1 ILE 60 0.066 0.697 0.849 484 HD12 ILE 60 2HD1 ILE 60 0.458 2.431 0.753 485 HD13 ILE 60 3HD1 ILE 60 -0.547 1.818 2.088 486 H GLU 61 H GLU 61 -1.613 4.128 -3.708 487 HA GLU 61 HA GLU 61 -1.356 6.821 -3.423 488 HB2 GLU 61 1HB GLU 61 -1.790 5.146 -5.931 489 HB3 GLU 61 2HB GLU 61 -1.335 6.838 -5.979 490 HG2 GLU 61 1HG GLU 61 0.264 4.729 -4.459 491 HG3 GLU 61 2HG GLU 61 0.604 5.172 -6.120 492 H ILE 62 H ILE 62 -4.249 4.938 -3.869 493 HA ILE 62 HA ILE 62 -5.746 7.155 -4.969 494 HB ILE 62 HB ILE 62 -6.632 4.404 -4.092 495 HG12 ILE 62 1HG1 ILE 62 -6.184 5.308 -6.936 496 HG13 ILE 62 2HG1 ILE 62 -4.885 4.611 -5.987 497 HG21 ILE 62 1HG2 ILE 62 -8.283 5.594 -6.107 498 HG22 ILE 62 2HG2 ILE 62 -8.716 5.056 -4.466 499 HG23 ILE 62 3HG2 ILE 62 -8.137 6.717 -4.734 500 HD11 ILE 62 1HD1 ILE 62 -7.037 2.866 -5.521 501 HD12 ILE 62 2HD1 ILE 62 -7.183 3.287 -7.244 502 HD13 ILE 62 3HD1 ILE 62 -5.671 2.580 -6.627 503 H LEU 63 H LEU 63 -5.920 5.070 -1.993 504 HA LEU 63 HA LEU 63 -7.765 6.609 -0.656 505 HB2 LEU 63 1HB LEU 63 -7.426 5.186 1.033 506 HB3 LEU 63 2HB LEU 63 -6.540 4.292 -0.185 507 HG LEU 63 HG LEU 63 -4.433 5.422 0.645 508 HD11 LEU 63 1HD1 LEU 63 -5.281 5.990 3.298 509 HD12 LEU 63 2HD1 LEU 63 -4.554 7.088 2.100 510 HD13 LEU 63 3HD1 LEU 63 -6.323 6.907 2.184 511 HD21 LEU 63 1HD2 LEU 63 -4.197 3.412 1.554 512 HD22 LEU 63 2HD2 LEU 63 -4.962 4.040 3.034 513 HD23 LEU 63 3HD2 LEU 63 -5.955 3.252 1.784 514 H THR 64 H THR 64 -4.173 6.919 -0.808 515 HA THR 64 HA THR 64 -3.736 8.814 1.084 516 HB THR 64 HB THR 64 -2.582 8.325 -1.695 517 HG1 THR 64 1HG THR 64 -1.801 8.028 1.121 518 HG21 THR 64 1HG2 THR 64 -2.265 10.788 -0.630 519 HG22 THR 64 2HG2 THR 64 -1.100 9.919 0.398 520 HG23 THR 64 3HG2 THR 64 -0.898 9.922 -1.371 521 HA PRO 65 HA PRO 65 -5.878 12.354 -0.061 522 HB2 PRO 65 1HB PRO 65 -4.541 14.236 1.401 523 HB3 PRO 65 2HB PRO 65 -5.768 13.188 2.083 524 HG2 PRO 65 1HG PRO 65 -2.831 13.048 2.391 525 HG3 PRO 65 2HG PRO 65 -4.075 12.302 3.374 526 HD2 PRO 65 1HD PRO 65 -2.437 11.008 1.407 527 HD3 PRO 65 2HD PRO 65 -3.757 10.290 2.307 528 H GLU 66 H GLU 66 -2.435 13.164 0.101 529 HA GLU 66 HA GLU 66 -1.133 14.171 -1.313 530 HB2 GLU 66 1HB GLU 66 -2.850 12.527 -3.006 531 HB3 GLU 66 2HB GLU 66 -2.348 13.966 -3.871 532 HG2 GLU 66 1HG GLU 66 -0.257 12.467 -2.293 533 HG3 GLU 66 2HG GLU 66 -0.814 11.758 -3.796 534 H VAL 67 H VAL 67 -2.075 16.123 -0.094 535 HA VAL 67 HA VAL 67 -3.062 18.124 -0.025 536 HB VAL 67 HB VAL 67 -1.766 18.105 -2.753 537 HG11 VAL 67 1HG1 VAL 67 -1.954 20.731 -1.545 538 HG12 VAL 67 2HG1 VAL 67 -2.464 20.186 -3.161 539 HG13 VAL 67 3HG1 VAL 67 -3.573 20.029 -1.778 540 HG21 VAL 67 1HG2 VAL 67 -0.251 19.695 -1.111 541 HG22 VAL 67 2HG2 VAL 67 -0.824 18.446 0.020 542 HG23 VAL 67 3HG2 VAL 67 0.066 17.977 -1.448 543 H ASN 68 H ASN 68 -5.231 17.034 0.046 544 HA ASN 68 HA ASN 68 -6.806 16.405 -1.973 545 HB2 ASN 68 1HB ASN 68 -7.200 17.500 0.727 546 HB3 ASN 68 2HB ASN 68 -8.490 18.019 -0.339 547 HD21 ASN 68 1HD2 ASN 68 -7.122 15.473 1.455 548 HD22 ASN 68 2HD2 ASN 68 -8.220 14.201 1.034 549 H LYS 69 H LYS 69 -7.610 17.461 -3.804 550 HA LYS 69 HA LYS 69 -7.071 20.279 -4.071 551 HB2 LYS 69 1HB LYS 69 -7.287 18.028 -5.809 552 HB3 LYS 69 2HB LYS 69 -8.508 19.185 -6.298 553 HG2 LYS 69 1HG LYS 69 -5.794 20.297 -5.650 554 HG3 LYS 69 2HG LYS 69 -5.917 19.339 -7.112 555 HD2 LYS 69 1HD LYS 69 -6.877 21.077 -8.202 556 HD3 LYS 69 2HD LYS 69 -8.197 21.096 -7.049 557 HE2 LYS 69 1HE LYS 69 -7.343 22.892 -5.908 558 HE3 LYS 69 2HE LYS 69 -5.704 22.275 -5.965 559 HZ1 LYS 69 1HZ LYS 69 -5.584 24.054 -7.346 560 HZ2 LYS 69 2HZ LYS 69 -5.923 22.897 -8.448 561 HZ3 LYS 69 3HZ LYS 69 -7.103 23.898 -7.924 562 H GLY 70 H GLY 70 -8.861 21.701 -5.070 563 HA2 GLY 70 1HA GLY 70 -11.500 21.005 -3.958 564 HA3 GLY 70 2HA GLY 70 -10.733 22.519 -3.522 565 H SER 71 H SER 71 -13.060 21.307 -5.482 566 HA SER 71 HA SER 71 -12.666 23.471 -7.359 567 HB2 SER 71 1HB SER 71 -11.847 21.732 -8.729 568 HB3 SER 71 2HB SER 71 -12.953 20.545 -8.065 569 HG SER 71 HG SER 71 -13.293 22.259 -10.217 570 H GLY 72 H GLY 72 -14.821 23.733 -8.724 571 HA2 GLY 72 1HA GLY 72 -17.105 23.127 -6.940 572 HA3 GLY 72 2HA GLY 72 -16.897 24.653 -7.776 573 HA PRO 73 HA PRO 73 -18.184 21.228 -10.834 574 HB2 PRO 73 1HB PRO 73 -19.715 19.221 -9.788 575 HB3 PRO 73 2HB PRO 73 -17.996 19.058 -10.087 576 HG2 PRO 73 1HG PRO 73 -19.404 19.423 -7.513 577 HG3 PRO 73 2HG PRO 73 -17.776 18.843 -7.801 578 HD2 PRO 73 1HD PRO 73 -18.529 21.452 -6.879 579 HD3 PRO 73 2HD PRO 73 -16.912 20.908 -7.278 580 H SER 74 H SER 74 -19.972 21.328 -12.205 581 HA SER 74 HA SER 74 -22.147 22.753 -10.887 582 HB2 SER 74 1HB SER 74 -20.702 23.838 -12.798 583 HB3 SER 74 2HB SER 74 -21.627 22.809 -13.873 584 HG SER 74 HG SER 74 -22.356 25.183 -12.820 585 H SER 75 H SER 75 -23.553 21.059 -10.339 586 HA SER 75 HA SER 75 -25.091 19.997 -12.389 587 HB2 SER 75 1HB SER 75 -24.457 17.728 -12.520 588 HB3 SER 75 2HB SER 75 -22.923 18.575 -12.545 589 HG SER 75 HG SER 75 -24.046 16.920 -10.542 590 H GLY 76 H GLY 76 -27.074 19.355 -11.503 591 HA2 GLY 76 1HA GLY 76 -27.579 19.903 -8.791 592 HA3 GLY 76 2HA GLY 76 -28.660 19.120 -9.927 Start of MODEL 6 1 H1 GLY 1 H GLY 1 15.622 33.679 5.236 2 HA2 GLY 1 1HA GLY 1 13.238 32.887 3.874 3 HA3 GLY 1 2HA GLY 1 14.357 34.158 3.424 4 H SER 2 H SER 2 13.641 33.069 1.226 5 HA SER 2 HA SER 2 15.897 31.594 0.378 6 HB2 SER 2 1HB SER 2 13.174 30.220 0.370 7 HB3 SER 2 2HB SER 2 14.555 29.652 -0.546 8 HG SER 2 HG SER 2 15.634 29.094 1.316 9 H SER 3 H SER 3 12.404 32.203 -0.465 10 HA SER 3 HA SER 3 13.010 34.088 -2.388 11 HB2 SER 3 1HB SER 3 13.097 31.275 -3.318 12 HB3 SER 3 2HB SER 3 12.021 32.288 -4.260 13 HG SER 3 HG SER 3 14.830 32.343 -4.055 14 H GLY 4 H GLY 4 10.996 34.777 -3.586 15 HA2 GLY 4 1HA GLY 4 8.522 33.547 -2.601 16 HA3 GLY 4 2HA GLY 4 8.821 35.231 -2.220 17 H SER 5 H SER 5 6.760 33.850 -4.009 18 HA SER 5 HA SER 5 6.653 35.799 -5.945 19 HB2 SER 5 1HB SER 5 8.154 33.344 -6.730 20 HB3 SER 5 2HB SER 5 6.927 33.858 -7.870 21 HG SER 5 HG SER 5 8.445 36.000 -6.941 22 H SER 6 H SER 6 4.605 35.719 -7.033 23 HA SER 6 HA SER 6 3.115 33.330 -7.076 24 HB2 SER 6 1HB SER 6 1.243 34.182 -5.591 25 HB3 SER 6 2HB SER 6 2.703 33.721 -4.739 26 HG SER 6 HG SER 6 2.126 36.443 -5.538 27 H GLY 7 H GLY 7 1.005 33.663 -8.204 28 HA2 GLY 7 1HA GLY 7 -0.038 36.083 -9.012 29 HA3 GLY 7 2HA GLY 7 1.200 35.698 -10.191 30 H THR 8 H THR 8 -0.744 35.609 -11.683 31 HA THR 8 HA THR 8 -2.184 34.454 -12.922 32 HB THR 8 HB THR 8 -0.609 32.176 -11.630 33 HG1 THR 8 1HG THR 8 -0.790 33.615 -14.179 34 HG21 THR 8 1HG2 THR 8 -1.457 30.881 -13.691 35 HG22 THR 8 2HG2 THR 8 -2.655 31.104 -12.393 36 HG23 THR 8 3HG2 THR 8 -2.716 32.130 -13.847 37 H SER 9 H SER 9 -4.326 33.891 -12.874 38 HA SER 9 HA SER 9 -5.318 32.777 -10.406 39 HB2 SER 9 1HB SER 9 -5.645 35.039 -9.819 40 HB3 SER 9 2HB SER 9 -6.003 35.524 -11.464 41 HG SER 9 HG SER 9 -8.082 34.921 -11.251 42 H SER 10 H SER 10 -6.625 31.088 -10.999 43 HA SER 10 HA SER 10 -8.444 31.501 -13.182 44 HB2 SER 10 1HB SER 10 -6.022 29.829 -13.396 45 HB3 SER 10 2HB SER 10 -7.486 28.935 -13.758 46 HG SER 10 HG SER 10 -6.177 30.731 -15.321 47 H ASN 11 H ASN 11 -10.102 29.689 -13.273 48 HA ASN 11 HA ASN 11 -10.530 28.760 -10.575 49 HB2 ASN 11 1HB ASN 11 -12.223 29.378 -12.953 50 HB3 ASN 11 2HB ASN 11 -12.747 27.961 -12.065 51 HD21 ASN 11 1HD2 ASN 11 -12.281 31.394 -12.030 52 HD22 ASN 11 2HD2 ASN 11 -13.116 31.756 -10.557 53 HA PRO 12 HA PRO 12 -9.873 24.577 -11.722 54 HB2 PRO 12 1HB PRO 12 -11.732 23.179 -10.288 55 HB3 PRO 12 2HB PRO 12 -10.249 23.797 -9.589 56 HG2 PRO 12 1HG PRO 12 -13.005 24.823 -9.293 57 HG3 PRO 12 2HG PRO 12 -11.601 25.145 -8.295 58 HD2 PRO 12 1HD PRO 12 -12.751 26.895 -10.255 59 HD3 PRO 12 2HD PRO 12 -11.281 27.167 -9.341 60 H VAL 13 H VAL 13 -13.321 24.116 -11.346 61 HA VAL 13 HA VAL 13 -14.732 23.096 -12.742 62 HB VAL 13 HB VAL 13 -13.630 25.427 -14.289 63 HG11 VAL 13 1HG1 VAL 13 -16.043 24.861 -15.506 64 HG12 VAL 13 2HG1 VAL 13 -14.432 24.526 -16.184 65 HG13 VAL 13 3HG1 VAL 13 -15.313 23.249 -15.313 66 HG21 VAL 13 1HG2 VAL 13 -16.468 25.375 -13.541 67 HG22 VAL 13 2HG2 VAL 13 -15.367 25.249 -12.148 68 HG23 VAL 13 3HG2 VAL 13 -15.231 26.626 -13.268 69 H LEU 14 H LEU 14 -13.714 21.020 -12.865 70 HA LEU 14 HA LEU 14 -12.520 20.558 -15.496 71 HB2 LEU 14 1HB LEU 14 -11.060 20.566 -13.134 72 HB3 LEU 14 2HB LEU 14 -11.397 18.868 -13.407 73 HG LEU 14 HG LEU 14 -10.409 20.403 -15.755 74 HD11 LEU 14 1HD1 LEU 14 -9.030 21.344 -13.968 75 HD12 LEU 14 2HD1 LEU 14 -8.585 19.704 -13.437 76 HD13 LEU 14 3HD1 LEU 14 -8.075 20.290 -15.038 77 HD21 LEU 14 1HD2 LEU 14 -10.766 18.130 -16.167 78 HD22 LEU 14 2HD2 LEU 14 -9.008 18.257 -15.919 79 HD23 LEU 14 3HD2 LEU 14 -10.047 17.636 -14.615 80 H GLU 15 H GLU 15 -12.113 17.686 -14.741 81 HA GLU 15 HA GLU 15 -14.768 16.821 -14.095 82 HB2 GLU 15 1HB GLU 15 -14.394 17.301 -16.726 83 HB3 GLU 15 2HB GLU 15 -13.703 15.692 -16.668 84 HG2 GLU 15 1HG GLU 15 -15.866 14.990 -15.398 85 HG3 GLU 15 2HG GLU 15 -16.528 16.532 -15.903 86 H LEU 16 H LEU 16 -14.295 15.356 -12.511 87 HA LEU 16 HA LEU 16 -12.442 13.227 -13.189 88 HB2 LEU 16 1HB LEU 16 -12.097 15.076 -10.833 89 HB3 LEU 16 2HB LEU 16 -11.391 13.474 -10.896 90 HG LEU 16 HG LEU 16 -10.855 15.510 -13.058 91 HD11 LEU 16 1HD1 LEU 16 -9.061 16.445 -11.914 92 HD12 LEU 16 2HD1 LEU 16 -10.324 16.331 -10.665 93 HD13 LEU 16 3HD1 LEU 16 -9.009 15.133 -10.712 94 HD21 LEU 16 1HD2 LEU 16 -8.618 13.906 -12.632 95 HD22 LEU 16 2HD2 LEU 16 -10.001 12.795 -12.480 96 HD23 LEU 16 3HD2 LEU 16 -9.801 13.771 -13.955 97 H GLU 17 H GLU 17 -13.892 11.571 -13.133 98 HA GLU 17 HA GLU 17 -15.657 11.523 -10.813 99 HB2 GLU 17 1HB GLU 17 -15.949 10.473 -13.638 100 HB3 GLU 17 2HB GLU 17 -16.888 9.759 -12.343 101 HG2 GLU 17 1HG GLU 17 -18.173 11.668 -12.019 102 HG3 GLU 17 2HG GLU 17 -16.870 12.756 -12.455 103 H LEU 18 H LEU 18 -14.357 10.468 -9.283 104 HA LEU 18 HA LEU 18 -13.270 8.820 -8.293 105 HB2 LEU 18 1HB LEU 18 -15.198 7.402 -10.064 106 HB3 LEU 18 2HB LEU 18 -13.959 6.445 -9.277 107 HG LEU 18 HG LEU 18 -16.048 6.458 -8.007 108 HD11 LEU 18 1HD1 LEU 18 -14.735 7.864 -5.952 109 HD12 LEU 18 2HD1 LEU 18 -14.700 6.115 -6.279 110 HD13 LEU 18 3HD1 LEU 18 -13.454 7.176 -6.978 111 HD21 LEU 18 1HD2 LEU 18 -16.980 8.418 -7.004 112 HD22 LEU 18 2HD2 LEU 18 -15.630 9.426 -7.580 113 HD23 LEU 18 3HD2 LEU 18 -16.784 8.734 -8.745 114 H ALA 19 H ALA 19 -11.687 6.868 -8.666 115 HA ALA 19 HA ALA 19 -10.295 7.227 -11.217 116 HB1 ALA 19 1HB ALA 19 -9.132 7.472 -8.419 117 HB2 ALA 19 2HB ALA 19 -8.138 7.209 -9.872 118 HB3 ALA 19 3HB ALA 19 -9.116 8.688 -9.719 119 H GLU 20 H GLU 20 -11.788 5.163 -11.309 120 HA GLU 20 HA GLU 20 -10.336 2.964 -10.068 121 HB2 GLU 20 1HB GLU 20 -13.144 3.544 -10.350 122 HB3 GLU 20 2HB GLU 20 -12.804 2.088 -11.264 123 HG2 GLU 20 1HG GLU 20 -13.176 1.178 -9.146 124 HG3 GLU 20 2HG GLU 20 -11.435 1.372 -9.105 125 H GLU 21 H GLU 21 -9.958 0.996 -11.392 126 HA GLU 21 HA GLU 21 -9.230 -0.024 -13.164 127 HB2 GLU 21 1HB GLU 21 -11.576 1.461 -14.179 128 HB3 GLU 21 2HB GLU 21 -10.427 1.056 -15.440 129 HG2 GLU 21 1HG GLU 21 -10.464 -1.333 -14.728 130 HG3 GLU 21 2HG GLU 21 -11.578 -0.941 -13.433 131 H LYS 22 H LYS 22 -7.953 2.511 -12.198 132 HA LYS 22 HA LYS 22 -7.102 4.145 -14.231 133 HB2 LYS 22 1HB LYS 22 -5.427 4.873 -12.749 134 HB3 LYS 22 2HB LYS 22 -6.763 4.382 -11.728 135 HG2 LYS 22 1HG LYS 22 -5.651 2.133 -11.415 136 HG3 LYS 22 2HG LYS 22 -4.290 2.702 -12.362 137 HD2 LYS 22 1HD LYS 22 -5.253 4.195 -9.888 138 HD3 LYS 22 2HD LYS 22 -4.101 2.879 -9.778 139 HE2 LYS 22 1HE LYS 22 -2.385 4.155 -10.594 140 HE3 LYS 22 2HE LYS 22 -3.372 4.831 -11.874 141 HZ1 LYS 22 1HZ LYS 22 -4.439 6.073 -9.868 142 HZ2 LYS 22 2HZ LYS 22 -2.987 5.796 -9.172 143 HZ3 LYS 22 3HZ LYS 22 -3.076 6.633 -10.572 144 H LEU 23 H LEU 23 -4.493 4.151 -14.753 145 HA LEU 23 HA LEU 23 -4.151 2.322 -16.741 146 HB2 LEU 23 1HB LEU 23 -2.375 4.115 -15.178 147 HB3 LEU 23 2HB LEU 23 -1.596 2.863 -16.125 148 HG LEU 23 HG LEU 23 -2.680 3.692 -18.164 149 HD11 LEU 23 1HD1 LEU 23 -3.762 6.051 -17.920 150 HD12 LEU 23 2HD1 LEU 23 -4.727 4.592 -17.591 151 HD13 LEU 23 3HD1 LEU 23 -4.058 5.540 -16.241 152 HD21 LEU 23 1HD2 LEU 23 -1.354 5.644 -18.467 153 HD22 LEU 23 2HD2 LEU 23 -1.341 5.989 -16.720 154 HD23 LEU 23 3HD2 LEU 23 -0.467 4.573 -17.354 155 HA PRO 24 HA PRO 24 -3.031 -1.394 -14.857 156 HB2 PRO 24 1HB PRO 24 -1.477 -2.571 -16.772 157 HB3 PRO 24 2HB PRO 24 -3.228 -2.554 -16.836 158 HG2 PRO 24 1HG PRO 24 -1.300 -0.953 -18.405 159 HG3 PRO 24 2HG PRO 24 -2.992 -1.266 -18.735 160 HD2 PRO 24 1HD PRO 24 -1.867 1.153 -17.681 161 HD3 PRO 24 2HD PRO 24 -3.569 0.798 -17.902 162 H MET 25 H MET 25 -0.763 -2.996 -15.009 163 HA MET 25 HA MET 25 0.698 -1.958 -12.976 164 HB2 MET 25 1HB MET 25 0.648 -4.316 -14.345 165 HB3 MET 25 2HB MET 25 2.105 -3.649 -15.056 166 HG2 MET 25 1HG MET 25 3.050 -3.296 -12.748 167 HG3 MET 25 2HG MET 25 1.605 -4.009 -12.060 168 HE1 MET 25 1HE MET 25 3.144 -5.573 -10.792 169 HE2 MET 25 2HE MET 25 4.135 -6.870 -11.501 170 HE3 MET 25 3HE MET 25 4.681 -5.179 -11.598 171 H THR 26 H THR 26 1.412 0.186 -13.148 172 HA THR 26 HA THR 26 3.542 0.600 -15.127 173 HB THR 26 HB THR 26 2.605 2.907 -15.486 174 HG1 THR 26 1HG THR 26 0.462 3.225 -14.495 175 HG21 THR 26 1HG2 THR 26 1.452 0.476 -16.454 176 HG22 THR 26 2HG2 THR 26 0.088 1.514 -15.975 177 HG23 THR 26 3HG2 THR 26 1.278 2.099 -17.162 178 H LEU 27 H LEU 27 4.014 -0.320 -12.549 179 HA LEU 27 HA LEU 27 5.502 1.936 -11.545 180 HB2 LEU 27 1HB LEU 27 3.428 0.559 -9.832 181 HB3 LEU 27 2HB LEU 27 4.650 1.669 -9.245 182 HG LEU 27 HG LEU 27 2.519 2.409 -11.268 183 HD11 LEU 27 1HD1 LEU 27 2.551 3.074 -8.314 184 HD12 LEU 27 2HD1 LEU 27 1.281 3.447 -9.505 185 HD13 LEU 27 3HD1 LEU 27 1.593 1.759 -9.036 186 HD21 LEU 27 1HD2 LEU 27 4.632 3.742 -11.311 187 HD22 LEU 27 2HD2 LEU 27 3.175 4.683 -10.911 188 HD23 LEU 27 3HD2 LEU 27 4.312 4.212 -9.625 189 H SER 28 H SER 28 7.513 1.091 -11.520 190 HA SER 28 HA SER 28 7.882 -1.694 -11.327 191 HB2 SER 28 1HB SER 28 9.640 0.731 -11.567 192 HB3 SER 28 2HB SER 28 10.390 -0.743 -10.988 193 HG SER 28 HG SER 28 9.911 -1.799 -12.906 194 H ARG 29 H ARG 29 9.448 -2.682 -9.648 195 HA ARG 29 HA ARG 29 8.433 -2.693 -7.229 196 HB2 ARG 29 1HB ARG 29 11.437 -2.816 -7.808 197 HB3 ARG 29 2HB ARG 29 10.655 -3.487 -6.390 198 HG2 ARG 29 1HG ARG 29 9.152 -4.722 -8.269 199 HG3 ARG 29 2HG ARG 29 10.588 -4.460 -9.239 200 HD2 ARG 29 1HD ARG 29 11.898 -5.475 -7.200 201 HD3 ARG 29 2HD ARG 29 10.334 -6.049 -6.658 202 HE ARG 29 HE ARG 29 10.386 -7.669 -8.339 203 HH11 ARG 29 2HH2 ARG 29 12.641 -5.099 -9.172 204 HH12 ARG 29 1HH2 ARG 29 13.272 -5.927 -10.556 205 HH21 ARG 29 2HH1 ARG 29 11.218 -8.762 -10.165 206 HH22 ARG 29 1HH1 ARG 29 12.457 -8.025 -11.125 207 H GLN 30 H GLN 30 11.289 -0.621 -8.150 208 HA GLN 30 HA GLN 30 11.479 0.680 -5.742 209 HB2 GLN 30 1HB GLN 30 12.648 2.488 -7.138 210 HB3 GLN 30 2HB GLN 30 13.297 0.865 -7.271 211 HG2 GLN 30 1HG GLN 30 11.273 0.986 -9.250 212 HG3 GLN 30 2HG GLN 30 12.069 2.544 -9.339 213 HE21 GLN 30 1HE2 GLN 30 12.248 -0.799 -9.980 214 HE22 GLN 30 2HE2 GLN 30 13.837 -0.873 -10.667 215 H GLU 31 H GLU 31 9.418 1.318 -8.606 216 HA GLU 31 HA GLU 31 8.586 3.849 -7.790 217 HB2 GLU 31 1HB GLU 31 8.334 2.467 -10.077 218 HB3 GLU 31 2HB GLU 31 6.768 2.068 -9.400 219 HG2 GLU 31 1HG GLU 31 6.523 4.083 -10.750 220 HG3 GLU 31 2HG GLU 31 6.312 4.523 -9.067 221 H VAL 32 H VAL 32 7.632 0.558 -6.893 222 HA VAL 32 HA VAL 32 5.223 1.514 -5.587 223 HB VAL 32 HB VAL 32 6.471 -1.186 -6.069 224 HG11 VAL 32 1HG1 VAL 32 4.700 -2.251 -4.849 225 HG12 VAL 32 2HG1 VAL 32 5.466 -1.065 -3.766 226 HG13 VAL 32 3HG1 VAL 32 3.903 -0.692 -4.531 227 HG21 VAL 32 1HG2 VAL 32 3.846 0.071 -6.940 228 HG22 VAL 32 2HG2 VAL 32 5.280 -0.204 -7.958 229 HG23 VAL 32 3HG2 VAL 32 4.370 -1.590 -7.310 230 H ILE 33 H ILE 33 8.597 0.737 -4.926 231 HA ILE 33 HA ILE 33 8.194 0.397 -2.114 232 HB ILE 33 HB ILE 33 10.567 0.582 -3.940 233 HG12 ILE 33 1HG1 ILE 33 10.306 -1.655 -2.058 234 HG13 ILE 33 2HG1 ILE 33 8.941 -1.513 -3.149 235 HG21 ILE 33 1HG2 ILE 33 11.800 -0.031 -1.669 236 HG22 ILE 33 2HG2 ILE 33 11.598 1.652 -2.213 237 HG23 ILE 33 3HG2 ILE 33 10.502 0.976 -0.984 238 HD11 ILE 33 1HD1 ILE 33 10.269 -2.658 -4.613 239 HD12 ILE 33 2HD1 ILE 33 11.048 -1.081 -4.884 240 HD13 ILE 33 3HD1 ILE 33 11.758 -2.238 -3.733 241 H ARG 34 H ARG 34 9.303 3.017 -4.333 242 HA ARG 34 HA ARG 34 10.157 4.809 -2.538 243 HB2 ARG 34 1HB ARG 34 8.762 4.997 -5.193 244 HB3 ARG 34 2HB ARG 34 8.851 6.481 -4.266 245 HG2 ARG 34 1HG ARG 34 11.226 6.506 -4.276 246 HG3 ARG 34 2HG ARG 34 11.343 4.792 -4.620 247 HD2 ARG 34 1HD ARG 34 10.774 5.076 -6.915 248 HD3 ARG 34 2HD ARG 34 10.031 6.639 -6.640 249 HE ARG 34 HE ARG 34 12.829 6.725 -5.918 250 HH11 ARG 34 2HH2 ARG 34 10.685 6.695 -8.707 251 HH12 ARG 34 1HH2 ARG 34 11.804 7.524 -9.737 252 HH21 ARG 34 2HH1 ARG 34 14.306 7.819 -7.276 253 HH22 ARG 34 1HH1 ARG 34 13.878 8.167 -8.917 254 H ARG 35 H ARG 35 6.782 4.911 -3.918 255 HA ARG 35 HA ARG 35 5.736 6.698 -2.241 256 HB2 ARG 35 1HB ARG 35 4.521 4.209 -3.505 257 HB3 ARG 35 2HB ARG 35 3.528 5.290 -2.548 258 HG2 ARG 35 1HG ARG 35 3.531 6.932 -4.153 259 HG3 ARG 35 2HG ARG 35 5.225 6.696 -4.537 260 HD2 ARG 35 1HD ARG 35 4.695 4.713 -5.903 261 HD3 ARG 35 2HD ARG 35 3.013 4.779 -5.417 262 HE ARG 35 HE ARG 35 2.650 6.506 -6.961 263 HH11 ARG 35 2HH2 ARG 35 6.108 6.127 -6.433 264 HH12 ARG 35 1HH2 ARG 35 6.551 7.216 -7.705 265 HH21 ARG 35 2HH1 ARG 35 3.234 7.942 -8.640 266 HH22 ARG 35 1HH1 ARG 35 4.906 8.255 -8.969 267 H LEU 36 H LEU 36 5.276 3.108 -1.774 268 HA LEU 36 HA LEU 36 4.177 3.065 0.656 269 HB2 LEU 36 1HB LEU 36 6.320 1.268 -0.475 270 HB3 LEU 36 2HB LEU 36 5.463 0.918 1.013 271 HG LEU 36 HG LEU 36 4.265 1.150 -1.759 272 HD11 LEU 36 1HD1 LEU 36 3.733 -1.320 -0.386 273 HD12 LEU 36 2HD1 LEU 36 4.559 -1.040 -1.937 274 HD13 LEU 36 3HD1 LEU 36 5.485 -1.010 -0.418 275 HD21 LEU 36 1HD2 LEU 36 2.919 0.819 0.928 276 HD22 LEU 36 2HD2 LEU 36 2.636 2.071 -0.306 277 HD23 LEU 36 3HD2 LEU 36 2.144 0.388 -0.615 278 H ARG 37 H ARG 37 7.721 3.416 -0.004 279 HA ARG 37 HA ARG 37 8.484 3.470 2.628 280 HB2 ARG 37 1HB ARG 37 9.637 4.213 0.008 281 HB3 ARG 37 2HB ARG 37 10.264 5.209 1.307 282 HG2 ARG 37 1HG ARG 37 10.360 2.708 2.478 283 HG3 ARG 37 2HG ARG 37 10.646 2.296 0.799 284 HD2 ARG 37 1HD ARG 37 12.824 2.854 1.201 285 HD3 ARG 37 2HD ARG 37 12.285 4.520 1.112 286 HE ARG 37 HE ARG 37 11.746 3.861 3.736 287 HH11 ARG 37 2HH2 ARG 37 14.623 3.584 1.729 288 HH12 ARG 37 1HH2 ARG 37 15.722 3.756 3.056 289 HH21 ARG 37 2HH1 ARG 37 13.196 4.088 5.488 290 HH22 ARG 37 1HH1 ARG 37 14.905 4.045 5.209 291 H GLU 38 H GLU 38 7.802 6.232 0.353 292 HA GLU 38 HA GLU 38 8.208 8.217 2.224 293 HB2 GLU 38 1HB GLU 38 6.805 8.005 -0.423 294 HB3 GLU 38 2HB GLU 38 6.463 9.423 0.549 295 HG2 GLU 38 1HG GLU 38 8.998 9.753 0.779 296 HG3 GLU 38 2HG GLU 38 9.202 8.477 -0.405 297 H ARG 39 H ARG 39 5.724 5.849 2.017 298 HA ARG 39 HA ARG 39 3.838 7.550 3.390 299 HB2 ARG 39 1HB ARG 39 3.488 4.632 2.546 300 HB3 ARG 39 2HB ARG 39 2.217 5.745 3.011 301 HG2 ARG 39 1HG ARG 39 3.876 6.812 0.816 302 HG3 ARG 39 2HG ARG 39 3.138 5.278 0.398 303 HD2 ARG 39 1HD ARG 39 1.199 6.389 -0.012 304 HD3 ARG 39 2HD ARG 39 1.078 6.727 1.703 305 HE ARG 39 HE ARG 39 2.795 8.694 0.899 306 HH11 ARG 39 2HH2 ARG 39 -0.272 7.595 -0.431 307 HH12 ARG 39 1HH2 ARG 39 -0.694 9.146 -1.076 308 HH21 ARG 39 2HH1 ARG 39 2.238 10.741 0.049 309 HH22 ARG 39 1HH1 ARG 39 0.743 10.948 -0.800 310 H GLY 40 H GLY 40 6.308 5.179 3.962 311 HA2 GLY 40 1HA GLY 40 7.142 4.630 6.043 312 HA3 GLY 40 2HA GLY 40 5.641 5.124 6.800 313 H GLU 41 H GLU 41 4.833 3.303 4.059 314 HA GLU 41 HA GLU 41 4.035 1.135 5.706 315 HB2 GLU 41 1HB GLU 41 3.891 1.324 2.669 316 HB3 GLU 41 2HB GLU 41 2.924 0.297 3.708 317 HG2 GLU 41 1HG GLU 41 2.750 3.134 4.493 318 HG3 GLU 41 2HG GLU 41 2.249 2.883 2.833 319 HA PRO 42 HA PRO 42 7.316 -1.577 4.868 320 HB2 PRO 42 1HB PRO 42 6.124 -4.033 4.977 321 HB3 PRO 42 2HB PRO 42 6.564 -3.117 6.405 322 HG2 PRO 42 1HG PRO 42 3.885 -3.545 5.230 323 HG3 PRO 42 2HG PRO 42 4.302 -3.012 6.846 324 HD2 PRO 42 1HD PRO 42 3.349 -1.375 4.692 325 HD3 PRO 42 2HD PRO 42 3.876 -0.827 6.271 326 H ILE 43 H ILE 43 8.474 -1.650 3.059 327 HA ILE 43 HA ILE 43 7.260 -1.752 0.580 328 HB ILE 43 HB ILE 43 9.469 -2.085 -0.300 329 HG12 ILE 43 1HG1 ILE 43 10.298 -2.810 2.526 330 HG13 ILE 43 2HG1 ILE 43 10.207 -3.906 1.162 331 HG21 ILE 43 1HG2 ILE 43 10.608 -0.199 0.711 332 HG22 ILE 43 2HG2 ILE 43 8.862 0.129 0.599 333 HG23 ILE 43 3HG2 ILE 43 9.584 -0.322 2.162 334 HD11 ILE 43 1HD1 ILE 43 12.425 -3.378 0.917 335 HD12 ILE 43 2HD1 ILE 43 11.789 -1.938 0.087 336 HD13 ILE 43 3HD1 ILE 43 12.257 -1.843 1.802 337 H ARG 44 H ARG 44 8.303 -4.351 2.792 338 HA ARG 44 HA ARG 44 7.000 -6.185 0.960 339 HB2 ARG 44 1HB ARG 44 9.501 -6.411 0.740 340 HB3 ARG 44 2HB ARG 44 9.610 -6.754 2.455 341 HG2 ARG 44 1HG ARG 44 9.626 -8.864 1.197 342 HG3 ARG 44 2HG ARG 44 8.159 -8.766 2.151 343 HD2 ARG 44 1HD ARG 44 6.789 -8.537 0.289 344 HD3 ARG 44 2HD ARG 44 7.985 -7.634 -0.620 345 HE ARG 44 HE ARG 44 8.683 -10.458 -0.139 346 HH11 ARG 44 2HH2 ARG 44 7.180 -8.142 -2.321 347 HH12 ARG 44 1HH2 ARG 44 7.332 -9.162 -3.713 348 HH21 ARG 44 2HH1 ARG 44 8.884 -11.803 -1.976 349 HH22 ARG 44 1HH1 ARG 44 8.308 -11.258 -3.515 350 H LEU 45 H LEU 45 5.211 -6.864 2.111 351 HA LEU 45 HA LEU 45 5.256 -6.858 4.973 352 HB2 LEU 45 1HB LEU 45 3.262 -7.271 2.814 353 HB3 LEU 45 2HB LEU 45 2.926 -8.034 4.355 354 HG LEU 45 HG LEU 45 3.497 -5.593 5.277 355 HD11 LEU 45 1HD1 LEU 45 2.373 -3.957 3.637 356 HD12 LEU 45 2HD1 LEU 45 4.060 -4.435 3.332 357 HD13 LEU 45 3HD1 LEU 45 2.743 -5.173 2.390 358 HD21 LEU 45 1HD2 LEU 45 1.324 -7.082 5.272 359 HD22 LEU 45 2HD2 LEU 45 1.256 -5.354 5.691 360 HD23 LEU 45 3HD2 LEU 45 0.778 -5.895 4.064 361 H PHE 46 H PHE 46 3.851 -9.094 5.751 362 HA PHE 46 HA PHE 46 5.913 -11.095 5.475 363 HB2 PHE 46 1HB PHE 46 4.372 -10.177 7.544 364 HB3 PHE 46 2HB PHE 46 3.296 -11.439 6.978 365 HD1 PHE 46 1HD PHE 46 4.656 -13.754 6.479 366 HD2 PHE 46 2HD PHE 46 5.761 -10.760 9.276 367 HE1 PHE 46 1HE PHE 46 5.965 -15.454 7.782 368 HE2 PHE 46 2HE PHE 46 7.070 -12.460 10.579 369 HZ PHE 46 HZ PHE 46 7.156 -14.787 9.816 370 H GLY 47 H GLY 47 5.485 -11.590 3.165 371 HA2 GLY 47 1HA GLY 47 4.749 -13.581 2.066 372 HA3 GLY 47 2HA GLY 47 3.224 -13.475 2.922 373 H GLU 48 H GLU 48 5.254 -11.187 0.940 374 HA GLU 48 HA GLU 48 2.848 -10.721 -0.638 375 HB2 GLU 48 1HB GLU 48 4.607 -8.782 0.782 376 HB3 GLU 48 2HB GLU 48 4.200 -8.335 -0.862 377 HG2 GLU 48 1HG GLU 48 1.741 -8.829 -0.259 378 HG3 GLU 48 2HG GLU 48 2.262 -8.953 1.410 379 H THR 49 H THR 49 3.393 -9.762 -2.875 380 HA THR 49 HA THR 49 6.037 -10.677 -3.776 381 HB THR 49 HB THR 49 4.288 -12.423 -4.242 382 HG1 THR 49 1HG THR 49 6.003 -12.092 -5.786 383 HG21 THR 49 1HG2 THR 49 3.034 -10.124 -5.830 384 HG22 THR 49 2HG2 THR 49 2.631 -11.839 -6.085 385 HG23 THR 49 3HG2 THR 49 2.261 -11.059 -4.528 386 H ASP 50 H ASP 50 5.788 -10.008 -6.466 387 HA ASP 50 HA ASP 50 6.352 -7.318 -6.336 388 HB2 ASP 50 1HB ASP 50 5.929 -7.525 -8.940 389 HB3 ASP 50 2HB ASP 50 7.272 -8.375 -8.204 390 H TYR 51 H TYR 51 3.426 -9.148 -7.467 391 HA TYR 51 HA TYR 51 1.965 -6.885 -8.277 392 HB2 TYR 51 1HB TYR 51 1.694 -9.442 -8.763 393 HB3 TYR 51 2HB TYR 51 1.016 -9.590 -7.153 394 HD1 TYR 51 1HD TYR 51 0.483 -7.027 -9.846 395 HD2 TYR 51 2HD TYR 51 -1.254 -10.041 -7.356 396 HE1 TYR 51 1HE TYR 51 -1.822 -6.463 -10.759 397 HE2 TYR 51 2HE TYR 51 -3.553 -9.467 -8.277 398 HH TYR 51 HH TYR 51 -4.118 -8.044 -10.949 399 H ASP 52 H ASP 52 1.505 -9.015 -5.360 400 HA ASP 52 HA ASP 52 -0.392 -7.700 -4.103 401 HB2 ASP 52 1HB ASP 52 1.524 -9.578 -3.385 402 HB3 ASP 52 2HB ASP 52 1.915 -8.255 -2.305 403 H ALA 53 H ALA 53 3.161 -7.003 -3.606 404 HA ALA 53 HA ALA 53 2.925 -4.783 -2.034 405 HB1 ALA 53 1HB ALA 53 4.971 -5.347 -4.220 406 HB2 ALA 53 2HB ALA 53 5.184 -4.225 -2.855 407 HB3 ALA 53 3HB ALA 53 5.027 -5.972 -2.554 408 H PHE 54 H PHE 54 3.176 -4.875 -5.662 409 HA PHE 54 HA PHE 54 2.913 -2.172 -6.074 410 HB2 PHE 54 1HB PHE 54 3.504 -3.718 -7.868 411 HB3 PHE 54 2HB PHE 54 2.092 -4.714 -7.572 412 HD1 PHE 54 1HD PHE 54 2.759 -1.122 -8.391 413 HD2 PHE 54 2HD PHE 54 0.482 -4.610 -9.203 414 HE1 PHE 54 1HE PHE 54 1.513 0.109 -10.188 415 HE2 PHE 54 2HE PHE 54 -0.764 -3.379 -11.000 416 HZ PHE 54 HZ PHE 54 -0.234 -1.033 -11.471 417 H GLN 55 H GLN 55 0.254 -4.630 -6.470 418 HA GLN 55 HA GLN 55 -1.784 -2.963 -6.855 419 HB2 GLN 55 1HB GLN 55 -1.734 -5.507 -5.178 420 HB3 GLN 55 2HB GLN 55 -3.218 -4.719 -5.677 421 HG2 GLN 55 1HG GLN 55 -1.143 -5.342 -7.785 422 HG3 GLN 55 2HG GLN 55 -2.115 -6.659 -7.158 423 HE21 GLN 55 1HE2 GLN 55 -4.427 -6.496 -7.254 424 HE22 GLN 55 2HE2 GLN 55 -5.201 -5.598 -8.517 425 H ARG 56 H ARG 56 -0.547 -4.013 -3.605 426 HA ARG 56 HA ARG 56 -2.308 -2.771 -2.031 427 HB2 ARG 56 1HB ARG 56 -0.105 -4.130 -1.493 428 HB3 ARG 56 2HB ARG 56 0.666 -2.558 -1.425 429 HG2 ARG 56 1HG ARG 56 -0.591 -1.865 0.452 430 HG3 ARG 56 2HG ARG 56 -1.894 -2.991 0.128 431 HD2 ARG 56 1HD ARG 56 -0.524 -3.706 2.090 432 HD3 ARG 56 2HD ARG 56 -0.484 -4.899 0.806 433 HE ARG 56 HE ARG 56 1.809 -4.529 0.593 434 HH11 ARG 56 2HH2 ARG 56 0.357 -1.726 2.149 435 HH12 ARG 56 1HH2 ARG 56 1.874 -0.942 2.440 436 HH21 ARG 56 2HH1 ARG 56 3.810 -3.494 0.977 437 HH22 ARG 56 1HH1 ARG 56 3.851 -1.954 1.768 438 H LEU 57 H LEU 57 0.869 -1.290 -3.051 439 HA LEU 57 HA LEU 57 0.295 1.250 -2.098 440 HB2 LEU 57 1HB LEU 57 2.526 0.597 -2.566 441 HB3 LEU 57 2HB LEU 57 2.153 0.229 -4.238 442 HG LEU 57 HG LEU 57 3.445 2.389 -3.697 443 HD11 LEU 57 1HD1 LEU 57 1.452 3.472 -5.400 444 HD12 LEU 57 2HD1 LEU 57 3.006 2.727 -5.842 445 HD13 LEU 57 3HD1 LEU 57 1.540 1.724 -5.726 446 HD21 LEU 57 1HD2 LEU 57 2.220 3.360 -1.946 447 HD22 LEU 57 2HD2 LEU 57 1.851 4.360 -3.371 448 HD23 LEU 57 3HD2 LEU 57 0.670 3.159 -2.797 449 H ARG 58 H ARG 58 -0.123 -0.156 -5.415 450 HA ARG 58 HA ARG 58 -0.975 2.015 -6.708 451 HB2 ARG 58 1HB ARG 58 -1.001 -0.753 -7.159 452 HB3 ARG 58 2HB ARG 58 -2.698 -0.331 -7.272 453 HG2 ARG 58 1HG ARG 58 -0.979 1.612 -8.678 454 HG3 ARG 58 2HG ARG 58 -0.772 -0.016 -9.294 455 HD2 ARG 58 1HD ARG 58 -3.575 1.046 -8.834 456 HD3 ARG 58 2HD ARG 58 -2.695 1.542 -10.266 457 HE ARG 58 HE ARG 58 -2.364 -1.193 -10.296 458 HH11 ARG 58 2HH2 ARG 58 -5.197 0.874 -9.996 459 HH12 ARG 58 1HH2 ARG 58 -6.266 -0.267 -10.742 460 HH21 ARG 58 2HH1 ARG 58 -3.774 -2.698 -11.279 461 HH22 ARG 58 1HH1 ARG 58 -5.451 -2.312 -11.477 462 H LYS 59 H LYS 59 -2.609 0.288 -4.110 463 HA LYS 59 HA LYS 59 -5.150 1.574 -4.693 464 HB2 LYS 59 1HB LYS 59 -4.514 -0.903 -3.701 465 HB3 LYS 59 2HB LYS 59 -4.867 -0.023 -2.227 466 HG2 LYS 59 1HG LYS 59 -7.028 0.789 -3.337 467 HG3 LYS 59 2HG LYS 59 -6.688 -0.308 -4.660 468 HD2 LYS 59 1HD LYS 59 -6.675 -2.235 -3.075 469 HD3 LYS 59 2HD LYS 59 -6.977 -1.147 -1.736 470 HE2 LYS 59 1HE LYS 59 -9.149 -0.471 -2.743 471 HE3 LYS 59 2HE LYS 59 -8.842 -1.492 -4.134 472 HZ1 LYS 59 1HZ LYS 59 -8.552 -2.939 -1.734 473 HZ2 LYS 59 2HZ LYS 59 -10.027 -2.243 -1.807 474 HZ3 LYS 59 3HZ LYS 59 -9.534 -3.237 -3.004 475 H ILE 60 H ILE 60 -2.364 1.717 -2.465 476 HA ILE 60 HA ILE 60 -3.539 3.393 -0.562 477 HB ILE 60 HB ILE 60 -0.710 2.817 -1.398 478 HG12 ILE 60 1HG1 ILE 60 -2.418 2.069 0.988 479 HG13 ILE 60 2HG1 ILE 60 -1.819 1.005 -0.269 480 HG21 ILE 60 1HG2 ILE 60 0.014 4.052 0.640 481 HG22 ILE 60 2HG2 ILE 60 -0.636 5.096 -0.647 482 HG23 ILE 60 3HG2 ILE 60 -1.633 4.712 0.777 483 HD11 ILE 60 1HD1 ILE 60 -0.326 0.681 1.562 484 HD12 ILE 60 2HD1 ILE 60 0.561 1.748 0.448 485 HD13 ILE 60 3HD1 ILE 60 -0.224 2.426 1.894 486 H GLU 61 H GLU 61 -1.696 4.072 -3.596 487 HA GLU 61 HA GLU 61 -1.527 6.778 -3.307 488 HB2 GLU 61 1HB GLU 61 -1.891 5.116 -5.838 489 HB3 GLU 61 2HB GLU 61 -1.424 6.805 -5.842 490 HG2 GLU 61 1HG GLU 61 0.126 4.649 -4.334 491 HG3 GLU 61 2HG GLU 61 0.509 5.134 -5.974 492 H ILE 62 H ILE 62 -4.238 4.759 -4.552 493 HA ILE 62 HA ILE 62 -5.815 6.833 -5.516 494 HB ILE 62 HB ILE 62 -6.601 4.163 -4.344 495 HG12 ILE 62 1HG1 ILE 62 -6.231 4.886 -7.258 496 HG13 ILE 62 2HG1 ILE 62 -4.942 4.208 -6.283 497 HG21 ILE 62 1HG2 ILE 62 -8.391 5.068 -6.371 498 HG22 ILE 62 2HG2 ILE 62 -8.723 4.714 -4.659 499 HG23 ILE 62 3HG2 ILE 62 -8.230 6.353 -5.150 500 HD11 ILE 62 1HD1 ILE 62 -7.438 2.916 -7.299 501 HD12 ILE 62 2HD1 ILE 62 -5.822 2.218 -7.033 502 HD13 ILE 62 3HD1 ILE 62 -6.929 2.448 -5.658 503 H LEU 63 H LEU 63 -5.993 5.143 -2.299 504 HA LEU 63 HA LEU 63 -7.922 6.574 -1.117 505 HB2 LEU 63 1HB LEU 63 -5.301 5.642 0.056 506 HB3 LEU 63 2HB LEU 63 -6.645 6.228 1.015 507 HG LEU 63 HG LEU 63 -6.935 3.901 -0.891 508 HD11 LEU 63 1HD1 LEU 63 -5.195 3.181 0.539 509 HD12 LEU 63 2HD1 LEU 63 -5.976 3.885 1.975 510 HD13 LEU 63 3HD1 LEU 63 -6.692 2.462 1.181 511 HD21 LEU 63 1HD2 LEU 63 -8.524 4.504 1.606 512 HD22 LEU 63 2HD2 LEU 63 -8.957 5.159 0.008 513 HD23 LEU 63 3HD2 LEU 63 -8.922 3.398 0.269 514 H THR 64 H THR 64 -4.415 7.528 -0.914 515 HA THR 64 HA THR 64 -4.936 10.049 0.164 516 HB THR 64 HB THR 64 -2.575 9.201 -1.588 517 HG1 THR 64 1HG THR 64 -2.299 7.728 0.037 518 HG21 THR 64 1HG2 THR 64 -2.863 11.021 0.861 519 HG22 THR 64 2HG2 THR 64 -1.310 10.544 0.133 520 HG23 THR 64 3HG2 THR 64 -2.456 11.547 -0.790 521 HA PRO 65 HA PRO 65 -6.342 12.315 -3.204 522 HB2 PRO 65 1HB PRO 65 -5.944 14.852 -2.268 523 HB3 PRO 65 2HB PRO 65 -7.326 13.871 -1.821 524 HG2 PRO 65 1HG PRO 65 -4.926 14.528 -0.225 525 HG3 PRO 65 2HG PRO 65 -6.477 13.926 0.323 526 HD2 PRO 65 1HD PRO 65 -4.053 12.419 0.046 527 HD3 PRO 65 2HD PRO 65 -5.631 11.795 0.482 528 H GLU 66 H GLU 66 -3.183 13.082 -1.926 529 HA GLU 66 HA GLU 66 -1.318 13.591 -2.913 530 HB2 GLU 66 1HB GLU 66 -2.756 12.404 -5.306 531 HB3 GLU 66 2HB GLU 66 -1.139 13.060 -5.472 532 HG2 GLU 66 1HG GLU 66 -0.372 11.548 -3.598 533 HG3 GLU 66 2HG GLU 66 -1.979 10.852 -3.534 534 H VAL 67 H VAL 67 -0.456 15.586 -3.402 535 HA VAL 67 HA VAL 67 -2.154 17.713 -3.985 536 HB VAL 67 HB VAL 67 -0.135 19.019 -4.119 537 HG11 VAL 67 1HG1 VAL 67 1.082 17.822 -2.020 538 HG12 VAL 67 2HG1 VAL 67 -0.434 18.744 -1.886 539 HG13 VAL 67 3HG1 VAL 67 -0.480 16.968 -1.998 540 HG21 VAL 67 1HG2 VAL 67 1.880 16.990 -3.738 541 HG22 VAL 67 2HG2 VAL 67 0.991 16.685 -5.250 542 HG23 VAL 67 3HG2 VAL 67 1.776 18.260 -4.981 543 H ASN 68 H ASN 68 -0.524 15.366 -6.033 544 HA ASN 68 HA ASN 68 -0.543 16.984 -8.340 545 HB2 ASN 68 1HB ASN 68 0.647 14.590 -7.634 546 HB3 ASN 68 2HB ASN 68 -0.653 14.006 -8.653 547 HD21 ASN 68 1HD2 ASN 68 -0.131 13.748 -10.673 548 HD22 ASN 68 2HD2 ASN 68 0.999 14.677 -11.601 549 H LYS 69 H LYS 69 -2.030 16.762 -10.192 550 HA LYS 69 HA LYS 69 -4.474 15.256 -9.618 551 HB2 LYS 69 1HB LYS 69 -4.459 17.892 -9.168 552 HB3 LYS 69 2HB LYS 69 -4.739 17.942 -10.897 553 HG2 LYS 69 1HG LYS 69 -6.920 17.850 -9.918 554 HG3 LYS 69 2HG LYS 69 -6.628 16.233 -10.528 555 HD2 LYS 69 1HD LYS 69 -6.383 15.311 -8.395 556 HD3 LYS 69 2HD LYS 69 -5.772 16.799 -7.699 557 HE2 LYS 69 1HE LYS 69 -8.371 17.499 -8.486 558 HE3 LYS 69 2HE LYS 69 -8.561 15.846 -7.935 559 HZ1 LYS 69 1HZ LYS 69 -7.074 17.793 -6.340 560 HZ2 LYS 69 2HZ LYS 69 -8.700 17.680 -6.232 561 HZ3 LYS 69 3HZ LYS 69 -7.766 16.396 -5.852 562 H GLY 70 H GLY 70 -4.952 13.895 -11.255 563 HA2 GLY 70 1HA GLY 70 -3.449 13.389 -13.424 564 HA3 GLY 70 2HA GLY 70 -5.182 13.132 -13.375 565 H SER 71 H SER 71 -3.749 13.796 -15.770 566 HA SER 71 HA SER 71 -4.326 16.599 -16.164 567 HB2 SER 71 1HB SER 71 -2.228 15.108 -17.012 568 HB3 SER 71 2HB SER 71 -3.287 14.871 -18.388 569 HG SER 71 HG SER 71 -3.509 17.296 -18.406 570 H GLY 72 H GLY 72 -5.535 17.239 -18.218 571 HA2 GLY 72 1HA GLY 72 -6.940 15.949 -19.981 572 HA3 GLY 72 2HA GLY 72 -7.835 15.445 -18.561 573 HA PRO 73 HA PRO 73 -8.425 20.115 -19.326 574 HB2 PRO 73 1HB PRO 73 -8.188 20.944 -21.919 575 HB3 PRO 73 2HB PRO 73 -6.912 21.130 -20.733 576 HG2 PRO 73 1HG PRO 73 -7.105 19.193 -22.957 577 HG3 PRO 73 2HG PRO 73 -5.690 19.678 -22.044 578 HD2 PRO 73 1HD PRO 73 -7.162 17.233 -21.758 579 HD3 PRO 73 2HD PRO 73 -5.820 17.770 -20.768 580 H SER 74 H SER 74 -10.486 20.810 -19.233 581 HA SER 74 HA SER 74 -12.220 20.344 -21.343 582 HB2 SER 74 1HB SER 74 -13.738 18.661 -20.328 583 HB3 SER 74 2HB SER 74 -12.154 17.988 -20.661 584 HG SER 74 HG SER 74 -13.352 18.647 -18.145 585 H SER 75 H SER 75 -14.460 21.144 -20.806 586 HA SER 75 HA SER 75 -14.488 22.572 -18.270 587 HB2 SER 75 1HB SER 75 -14.974 23.654 -21.055 588 HB3 SER 75 2HB SER 75 -15.790 24.387 -19.688 589 HG SER 75 HG SER 75 -12.972 24.240 -20.239 590 H GLY 76 H GLY 76 -16.709 23.070 -17.482 591 HA2 GLY 76 1HA GLY 76 -19.092 22.865 -17.947 592 HA3 GLY 76 2HA GLY 76 -18.755 21.337 -18.737 Start of MODEL 7 1 H1 GLY 1 H GLY 1 21.440 15.948 -3.543 2 HA2 GLY 1 1HA GLY 1 21.956 13.774 -5.337 3 HA3 GLY 1 2HA GLY 1 20.595 13.453 -4.281 4 H SER 2 H SER 2 20.255 13.691 -7.076 5 HA SER 2 HA SER 2 18.183 15.491 -7.182 6 HB2 SER 2 1HB SER 2 19.882 17.267 -7.184 7 HB3 SER 2 2HB SER 2 20.736 16.502 -8.509 8 HG SER 2 HG SER 2 18.571 16.759 -9.701 9 H SER 3 H SER 3 16.849 14.655 -8.760 10 HA SER 3 HA SER 3 18.163 13.409 -11.034 11 HB2 SER 3 1HB SER 3 16.405 11.580 -10.928 12 HB3 SER 3 2HB SER 3 17.592 11.536 -9.640 13 HG SER 3 HG SER 3 15.241 13.051 -9.140 14 H GLY 4 H GLY 4 16.516 13.042 -12.891 15 HA2 GLY 4 1HA GLY 4 14.134 14.698 -12.778 16 HA3 GLY 4 2HA GLY 4 15.413 15.295 -13.816 17 H SER 5 H SER 5 12.741 14.340 -14.625 18 HA SER 5 HA SER 5 13.533 12.807 -16.795 19 HB2 SER 5 1HB SER 5 13.472 11.102 -14.770 20 HB3 SER 5 2HB SER 5 11.735 11.183 -14.982 21 HG SER 5 HG SER 5 13.668 9.931 -16.562 22 H SER 6 H SER 6 12.197 13.738 -18.298 23 HA SER 6 HA SER 6 9.498 14.368 -17.404 24 HB2 SER 6 1HB SER 6 9.457 16.087 -19.136 25 HB3 SER 6 2HB SER 6 10.897 16.294 -18.160 26 HG SER 6 HG SER 6 11.955 16.228 -20.017 27 H GLY 7 H GLY 7 7.768 14.186 -19.184 28 HA2 GLY 7 1HA GLY 7 7.692 13.090 -21.533 29 HA3 GLY 7 2HA GLY 7 8.210 11.673 -20.641 30 H THR 8 H THR 8 5.542 13.822 -21.403 31 HA THR 8 HA THR 8 3.765 12.048 -19.873 32 HB THR 8 HB THR 8 3.817 15.101 -20.014 33 HG1 THR 8 1HG THR 8 5.029 13.741 -18.380 34 HG21 THR 8 1HG2 THR 8 1.489 13.408 -19.905 35 HG22 THR 8 2HG2 THR 8 1.779 14.020 -18.259 36 HG23 THR 8 3HG2 THR 8 1.571 15.161 -19.609 37 H SER 9 H SER 9 2.825 10.824 -21.401 38 HA SER 9 HA SER 9 1.223 12.202 -23.305 39 HB2 SER 9 1HB SER 9 3.826 11.213 -24.098 40 HB3 SER 9 2HB SER 9 2.597 10.255 -24.900 41 HG SER 9 HG SER 9 2.257 13.089 -24.867 42 H SER 10 H SER 10 -0.647 11.158 -22.638 43 HA SER 10 HA SER 10 -1.052 8.537 -23.420 44 HB2 SER 10 1HB SER 10 0.337 8.562 -21.032 45 HB3 SER 10 2HB SER 10 -1.318 8.514 -20.458 46 HG SER 10 HG SER 10 -0.698 6.742 -22.581 47 H ASN 11 H ASN 11 -2.915 9.559 -24.332 48 HA ASN 11 HA ASN 11 -5.159 9.537 -22.725 49 HB2 ASN 11 1HB ASN 11 -5.756 11.982 -22.776 50 HB3 ASN 11 2HB ASN 11 -4.340 11.672 -21.792 51 HD21 ASN 11 1HD2 ASN 11 -5.637 13.555 -24.177 52 HD22 ASN 11 2HD2 ASN 11 -4.205 14.231 -24.880 53 HA PRO 12 HA PRO 12 -5.962 9.343 -27.132 54 HB2 PRO 12 1HB PRO 12 -8.015 7.543 -27.008 55 HB3 PRO 12 2HB PRO 12 -6.333 7.071 -27.151 56 HG2 PRO 12 1HG PRO 12 -8.095 6.956 -24.780 57 HG3 PRO 12 2HG PRO 12 -6.583 6.118 -25.065 58 HD2 PRO 12 1HD PRO 12 -6.981 8.420 -23.401 59 HD3 PRO 12 2HD PRO 12 -5.452 7.651 -23.778 60 H VAL 13 H VAL 13 -8.432 9.641 -24.654 61 HA VAL 13 HA VAL 13 -10.412 10.682 -24.729 62 HB VAL 13 HB VAL 13 -8.847 12.420 -24.124 63 HG11 VAL 13 1HG1 VAL 13 -8.071 14.048 -25.906 64 HG12 VAL 13 2HG1 VAL 13 -7.302 12.443 -25.938 65 HG13 VAL 13 3HG1 VAL 13 -8.578 12.843 -27.113 66 HG21 VAL 13 1HG2 VAL 13 -10.197 14.398 -25.377 67 HG22 VAL 13 2HG2 VAL 13 -11.284 13.029 -25.714 68 HG23 VAL 13 3HG2 VAL 13 -10.872 13.446 -24.033 69 H LEU 14 H LEU 14 -10.703 8.940 -26.656 70 HA LEU 14 HA LEU 14 -12.090 10.440 -28.696 71 HB2 LEU 14 1HB LEU 14 -11.027 9.414 -30.560 72 HB3 LEU 14 2HB LEU 14 -9.818 10.236 -29.594 73 HG LEU 14 HG LEU 14 -9.743 7.660 -28.584 74 HD11 LEU 14 1HD1 LEU 14 -10.653 7.589 -31.413 75 HD12 LEU 14 2HD1 LEU 14 -9.346 6.472 -30.951 76 HD13 LEU 14 3HD1 LEU 14 -10.902 6.425 -30.089 77 HD21 LEU 14 1HD2 LEU 14 -7.927 8.294 -30.853 78 HD22 LEU 14 2HD2 LEU 14 -7.966 9.441 -29.492 79 HD23 LEU 14 3HD2 LEU 14 -7.562 7.731 -29.204 80 H GLU 15 H GLU 15 -14.087 9.575 -28.747 81 HA GLU 15 HA GLU 15 -15.722 8.158 -28.576 82 HB2 GLU 15 1HB GLU 15 -13.552 6.381 -29.687 83 HB3 GLU 15 2HB GLU 15 -15.070 5.646 -29.212 84 HG2 GLU 15 1HG GLU 15 -16.320 7.193 -30.696 85 HG3 GLU 15 2HG GLU 15 -14.835 8.021 -31.121 86 H LEU 16 H LEU 16 -16.505 5.985 -27.426 87 HA LEU 16 HA LEU 16 -14.861 5.420 -25.092 88 HB2 LEU 16 1HB LEU 16 -17.663 6.535 -24.982 89 HB3 LEU 16 2HB LEU 16 -16.895 5.711 -23.640 90 HG LEU 16 HG LEU 16 -15.629 8.127 -24.931 91 HD11 LEU 16 1HD1 LEU 16 -17.618 9.122 -24.352 92 HD12 LEU 16 2HD1 LEU 16 -17.905 8.019 -22.985 93 HD13 LEU 16 3HD1 LEU 16 -16.689 9.311 -22.846 94 HD21 LEU 16 1HD2 LEU 16 -14.209 8.187 -23.143 95 HD22 LEU 16 2HD2 LEU 16 -15.375 7.415 -22.042 96 HD23 LEU 16 3HD2 LEU 16 -14.498 6.433 -23.241 97 H GLU 17 H GLU 17 -14.520 3.281 -25.526 98 HA GLU 17 HA GLU 17 -16.732 1.567 -25.248 99 HB2 GLU 17 1HB GLU 17 -16.093 2.367 -27.933 100 HB3 GLU 17 2HB GLU 17 -15.607 0.692 -27.759 101 HG2 GLU 17 1HG GLU 17 -18.349 1.742 -26.920 102 HG3 GLU 17 2HG GLU 17 -18.025 1.037 -28.492 103 H LEU 18 H LEU 18 -15.551 0.592 -23.577 104 HA LEU 18 HA LEU 18 -13.774 -1.421 -24.267 105 HB2 LEU 18 1HB LEU 18 -12.512 1.083 -24.268 106 HB3 LEU 18 2HB LEU 18 -12.050 0.337 -22.751 107 HG LEU 18 HG LEU 18 -11.842 -1.408 -25.139 108 HD11 LEU 18 1HD1 LEU 18 -10.815 0.122 -26.411 109 HD12 LEU 18 2HD1 LEU 18 -10.561 1.236 -25.045 110 HD13 LEU 18 3HD1 LEU 18 -9.435 -0.117 -25.312 111 HD21 LEU 18 1HD2 LEU 18 -10.206 -2.446 -23.954 112 HD22 LEU 18 2HD2 LEU 18 -9.604 -0.934 -23.233 113 HD23 LEU 18 3HD2 LEU 18 -11.082 -1.696 -22.598 114 H ALA 19 H ALA 19 -12.968 -2.574 -22.304 115 HA ALA 19 HA ALA 19 -14.172 -1.656 -19.821 116 HB1 ALA 19 1HB ALA 19 -15.413 -3.686 -19.473 117 HB2 ALA 19 2HB ALA 19 -15.864 -3.069 -21.081 118 HB3 ALA 19 3HB ALA 19 -14.725 -4.429 -20.937 119 H GLU 20 H GLU 20 -13.704 -4.069 -18.374 120 HA GLU 20 HA GLU 20 -12.146 -5.260 -17.426 121 HB2 GLU 20 1HB GLU 20 -11.445 -5.559 -20.029 122 HB3 GLU 20 2HB GLU 20 -10.004 -4.739 -19.461 123 HG2 GLU 20 1HG GLU 20 -9.284 -6.774 -18.747 124 HG3 GLU 20 2HG GLU 20 -10.450 -6.621 -17.448 125 H GLU 21 H GLU 21 -12.475 -2.901 -16.303 126 HA GLU 21 HA GLU 21 -10.712 -0.938 -16.355 127 HB2 GLU 21 1HB GLU 21 -12.394 -2.172 -14.279 128 HB3 GLU 21 2HB GLU 21 -10.998 -1.362 -13.595 129 HG2 GLU 21 1HG GLU 21 -11.826 0.484 -15.493 130 HG3 GLU 21 2HG GLU 21 -13.356 -0.208 -14.994 131 H LYS 22 H LYS 22 -10.121 -4.231 -15.118 132 HA LYS 22 HA LYS 22 -7.845 -3.831 -13.651 133 HB2 LYS 22 1HB LYS 22 -9.289 -6.009 -14.717 134 HB3 LYS 22 2HB LYS 22 -7.636 -6.231 -15.255 135 HG2 LYS 22 1HG LYS 22 -6.813 -6.496 -13.102 136 HG3 LYS 22 2HG LYS 22 -7.974 -5.386 -12.400 137 HD2 LYS 22 1HD LYS 22 -9.535 -7.541 -13.388 138 HD3 LYS 22 2HD LYS 22 -8.131 -8.299 -12.665 139 HE2 LYS 22 1HE LYS 22 -9.817 -6.181 -11.249 140 HE3 LYS 22 2HE LYS 22 -10.073 -7.905 -11.061 141 HZ1 LYS 22 1HZ LYS 22 -8.043 -8.148 -10.031 142 HZ2 LYS 22 2HZ LYS 22 -7.432 -6.745 -10.602 143 HZ3 LYS 22 3HZ LYS 22 -8.565 -6.723 -9.426 144 H LEU 23 H LEU 23 -5.573 -3.906 -14.126 145 HA LEU 23 HA LEU 23 -4.815 -3.683 -16.907 146 HB2 LEU 23 1HB LEU 23 -4.926 -1.384 -15.043 147 HB3 LEU 23 2HB LEU 23 -3.462 -1.539 -15.993 148 HG LEU 23 HG LEU 23 -6.029 -1.778 -17.477 149 HD11 LEU 23 1HD1 LEU 23 -5.197 1.022 -17.056 150 HD12 LEU 23 2HD1 LEU 23 -6.821 0.306 -17.197 151 HD13 LEU 23 3HD1 LEU 23 -5.948 0.232 -15.648 152 HD21 LEU 23 1HD2 LEU 23 -4.099 -1.941 -18.802 153 HD22 LEU 23 2HD2 LEU 23 -4.688 -0.281 -19.056 154 HD23 LEU 23 3HD2 LEU 23 -3.305 -0.580 -17.975 155 HA PRO 24 HA PRO 24 -1.220 -5.499 -15.358 156 HB2 PRO 24 1HB PRO 24 0.759 -4.573 -17.000 157 HB3 PRO 24 2HB PRO 24 -0.351 -5.847 -17.462 158 HG2 PRO 24 1HG PRO 24 -0.311 -3.021 -18.326 159 HG3 PRO 24 2HG PRO 24 -1.116 -4.386 -19.074 160 HD2 PRO 24 1HD PRO 24 -2.337 -2.332 -17.488 161 HD3 PRO 24 2HD PRO 24 -3.120 -3.759 -18.138 162 H MET 25 H MET 25 1.317 -5.031 -14.853 163 HA MET 25 HA MET 25 1.109 -3.320 -12.655 164 HB2 MET 25 1HB MET 25 3.121 -5.070 -13.962 165 HB3 MET 25 2HB MET 25 3.858 -3.670 -13.208 166 HG2 MET 25 1HG MET 25 2.630 -4.215 -11.067 167 HG3 MET 25 2HG MET 25 1.982 -5.653 -11.830 168 HE1 MET 25 1HE MET 25 4.329 -4.262 -9.654 169 HE2 MET 25 2HE MET 25 3.887 -5.888 -9.080 170 HE3 MET 25 3HE MET 25 5.588 -5.501 -9.433 171 H THR 26 H THR 26 0.801 -1.134 -12.927 172 HA THR 26 HA THR 26 2.025 0.239 -15.141 173 HB THR 26 HB THR 26 0.826 2.198 -14.014 174 HG1 THR 26 1HG THR 26 -0.017 1.737 -11.990 175 HG21 THR 26 1HG2 THR 26 -0.783 1.324 -15.436 176 HG22 THR 26 2HG2 THR 26 -0.489 -0.346 -14.892 177 HG23 THR 26 3HG2 THR 26 -1.504 0.743 -13.916 178 H LEU 27 H LEU 27 2.340 0.371 -11.530 179 HA LEU 27 HA LEU 27 4.815 1.860 -11.927 180 HB2 LEU 27 1HB LEU 27 3.565 1.237 -9.274 181 HB3 LEU 27 2HB LEU 27 4.624 2.561 -9.718 182 HG LEU 27 HG LEU 27 1.847 2.326 -10.873 183 HD11 LEU 27 1HD1 LEU 27 0.830 3.294 -9.075 184 HD12 LEU 27 2HD1 LEU 27 2.071 2.338 -8.231 185 HD13 LEU 27 3HD1 LEU 27 2.322 4.079 -8.504 186 HD21 LEU 27 1HD2 LEU 27 3.588 4.755 -10.381 187 HD22 LEU 27 2HD2 LEU 27 3.501 3.868 -11.922 188 HD23 LEU 27 3HD2 LEU 27 2.054 4.682 -11.280 189 H SER 28 H SER 28 6.827 1.017 -11.524 190 HA SER 28 HA SER 28 6.934 -1.807 -11.273 191 HB2 SER 28 1HB SER 28 9.119 0.317 -11.391 192 HB3 SER 28 2HB SER 28 9.436 -1.406 -11.394 193 HG SER 28 HG SER 28 8.639 -1.614 -13.430 194 H ARG 29 H ARG 29 8.540 -2.834 -9.633 195 HA ARG 29 HA ARG 29 7.665 -2.655 -7.167 196 HB2 ARG 29 1HB ARG 29 10.127 -3.314 -6.471 197 HB3 ARG 29 2HB ARG 29 9.235 -4.374 -7.544 198 HG2 ARG 29 1HG ARG 29 10.436 -2.507 -9.284 199 HG3 ARG 29 2HG ARG 29 11.668 -2.806 -8.074 200 HD2 ARG 29 1HD ARG 29 11.994 -4.983 -8.750 201 HD3 ARG 29 2HD ARG 29 10.285 -5.269 -9.010 202 HE ARG 29 HE ARG 29 11.177 -3.449 -11.018 203 HH11 ARG 29 2HH2 ARG 29 11.625 -6.808 -10.071 204 HH12 ARG 29 1HH2 ARG 29 11.967 -7.350 -11.681 205 HH21 ARG 29 2HH1 ARG 29 11.629 -4.163 -13.142 206 HH22 ARG 29 1HH1 ARG 29 11.969 -5.835 -13.439 207 H GLN 30 H GLN 30 10.627 -0.864 -8.317 208 HA GLN 30 HA GLN 30 11.086 0.525 -6.025 209 HB2 GLN 30 1HB GLN 30 12.128 0.462 -8.624 210 HB3 GLN 30 2HB GLN 30 11.597 2.122 -8.448 211 HG2 GLN 30 1HG GLN 30 13.655 2.385 -7.455 212 HG3 GLN 30 2HG GLN 30 12.807 1.816 -6.031 213 HE21 GLN 30 1HE2 GLN 30 14.903 1.131 -5.320 214 HE22 GLN 30 2HE2 GLN 30 15.558 -0.392 -5.822 215 H GLU 31 H GLU 31 9.179 1.622 -8.923 216 HA GLU 31 HA GLU 31 8.445 4.050 -7.978 217 HB2 GLU 31 1HB GLU 31 8.006 3.002 -10.275 218 HB3 GLU 31 2HB GLU 31 6.608 2.214 -9.570 219 HG2 GLU 31 1HG GLU 31 5.870 4.286 -10.625 220 HG3 GLU 31 2HG GLU 31 5.708 4.464 -8.889 221 H VAL 32 H VAL 32 7.454 0.881 -6.862 222 HA VAL 32 HA VAL 32 5.147 1.990 -5.469 223 HB VAL 32 HB VAL 32 6.196 -0.785 -5.989 224 HG11 VAL 32 1HG1 VAL 32 4.704 0.086 -3.683 225 HG12 VAL 32 2HG1 VAL 32 3.686 -0.971 -4.690 226 HG13 VAL 32 3HG1 VAL 32 5.268 -1.547 -4.110 227 HG21 VAL 32 1HG2 VAL 32 4.350 -1.071 -7.357 228 HG22 VAL 32 2HG2 VAL 32 3.403 0.187 -6.526 229 HG23 VAL 32 3HG2 VAL 32 4.726 0.649 -7.624 230 H ILE 33 H ILE 33 8.462 0.772 -4.976 231 HA ILE 33 HA ILE 33 8.249 0.575 -2.163 232 HB ILE 33 HB ILE 33 10.536 0.687 -4.112 233 HG12 ILE 33 1HG1 ILE 33 9.547 -1.536 -2.303 234 HG13 ILE 33 2HG1 ILE 33 9.086 -1.351 -3.983 235 HG21 ILE 33 1HG2 ILE 33 10.608 1.187 -1.237 236 HG22 ILE 33 2HG2 ILE 33 11.615 -0.197 -1.724 237 HG23 ILE 33 3HG2 ILE 33 11.870 1.396 -2.474 238 HD11 ILE 33 1HD1 ILE 33 11.188 -1.942 -4.783 239 HD12 ILE 33 2HD1 ILE 33 12.027 -1.313 -3.344 240 HD13 ILE 33 3HD1 ILE 33 11.172 -2.873 -3.266 241 H ARG 34 H ARG 34 9.116 3.170 -4.476 242 HA ARG 34 HA ARG 34 10.259 4.913 -2.743 243 HB2 ARG 34 1HB ARG 34 9.670 5.011 -5.365 244 HB3 ARG 34 2HB ARG 34 8.307 5.960 -4.806 245 HG2 ARG 34 1HG ARG 34 9.991 7.406 -3.504 246 HG3 ARG 34 2HG ARG 34 11.265 6.553 -4.352 247 HD2 ARG 34 1HD ARG 34 10.830 7.610 -6.361 248 HD3 ARG 34 2HD ARG 34 9.096 7.615 -6.109 249 HE ARG 34 HE ARG 34 10.953 9.731 -5.380 250 HH11 ARG 34 2HH2 ARG 34 7.890 8.238 -4.503 251 HH12 ARG 34 1HH2 ARG 34 7.267 9.664 -3.743 252 HH21 ARG 34 2HH1 ARG 34 10.131 11.612 -4.377 253 HH22 ARG 34 1HH1 ARG 34 8.550 11.596 -3.670 254 H ARG 35 H ARG 35 6.800 5.141 -3.878 255 HA ARG 35 HA ARG 35 6.000 6.951 -2.039 256 HB2 ARG 35 1HB ARG 35 4.494 4.684 -3.413 257 HB3 ARG 35 2HB ARG 35 3.663 5.833 -2.383 258 HG2 ARG 35 1HG ARG 35 3.721 7.458 -3.978 259 HG3 ARG 35 2HG ARG 35 5.431 7.213 -4.276 260 HD2 ARG 35 1HD ARG 35 5.035 5.499 -5.892 261 HD3 ARG 35 2HD ARG 35 3.402 5.209 -5.326 262 HE ARG 35 HE ARG 35 2.639 7.041 -6.597 263 HH11 ARG 35 2HH2 ARG 35 6.155 7.048 -6.475 264 HH12 ARG 35 1HH2 ARG 35 6.322 8.276 -7.685 265 HH21 ARG 35 2HH1 ARG 35 2.858 8.661 -8.194 266 HH22 ARG 35 1HH1 ARG 35 4.434 9.199 -8.669 267 H LEU 36 H LEU 36 5.457 3.347 -1.862 268 HA LEU 36 HA LEU 36 4.332 3.116 0.551 269 HB2 LEU 36 1HB LEU 36 6.421 1.425 -0.800 270 HB3 LEU 36 2HB LEU 36 5.719 0.958 0.736 271 HG LEU 36 HG LEU 36 4.285 1.310 -1.905 272 HD11 LEU 36 1HD1 LEU 36 5.527 -0.783 -1.660 273 HD12 LEU 36 2HD1 LEU 36 4.676 -1.117 -0.132 274 HD13 LEU 36 3HD1 LEU 36 3.769 -1.066 -1.663 275 HD21 LEU 36 1HD2 LEU 36 2.251 0.522 -0.622 276 HD22 LEU 36 2HD2 LEU 36 3.144 0.916 0.866 277 HD23 LEU 36 3HD2 LEU 36 2.773 2.195 -0.314 278 H ARG 37 H ARG 37 7.923 3.268 0.009 279 HA ARG 37 HA ARG 37 8.685 3.162 2.583 280 HB2 ARG 37 1HB ARG 37 9.789 4.343 0.079 281 HB3 ARG 37 2HB ARG 37 10.463 5.031 1.542 282 HG2 ARG 37 1HG ARG 37 10.485 2.320 2.144 283 HG3 ARG 37 2HG ARG 37 10.783 2.298 0.417 284 HD2 ARG 37 1HD ARG 37 12.971 2.597 1.097 285 HD3 ARG 37 2HD ARG 37 12.505 4.286 1.085 286 HE ARG 37 HE ARG 37 12.539 4.310 3.440 287 HH11 ARG 37 2HH2 ARG 37 12.709 0.994 2.274 288 HH12 ARG 37 1HH2 ARG 37 13.079 0.330 3.831 289 HH21 ARG 37 2HH1 ARG 37 13.027 3.435 5.494 290 HH22 ARG 37 1HH1 ARG 37 13.260 1.729 5.675 291 H GLU 38 H GLU 38 8.108 6.220 0.677 292 HA GLU 38 HA GLU 38 8.439 7.944 2.771 293 HB2 GLU 38 1HB GLU 38 6.698 8.155 0.281 294 HB3 GLU 38 2HB GLU 38 6.966 9.503 1.368 295 HG2 GLU 38 1HG GLU 38 9.538 8.341 0.790 296 HG3 GLU 38 2HG GLU 38 8.692 8.520 -0.734 297 H ARG 39 H ARG 39 5.679 5.888 1.898 298 HA ARG 39 HA ARG 39 3.831 7.286 3.486 299 HB2 ARG 39 1HB ARG 39 3.764 4.378 2.532 300 HB3 ARG 39 2HB ARG 39 2.384 5.284 3.120 301 HG2 ARG 39 1HG ARG 39 3.864 6.647 0.931 302 HG3 ARG 39 2HG ARG 39 3.163 5.111 0.460 303 HD2 ARG 39 1HD ARG 39 1.139 6.122 0.277 304 HD3 ARG 39 2HD ARG 39 1.154 6.420 2.004 305 HE ARG 39 HE ARG 39 2.732 8.354 0.453 306 HH11 ARG 39 2HH2 ARG 39 -0.438 7.587 1.773 307 HH12 ARG 39 1HH2 ARG 39 -0.982 9.231 1.761 308 HH21 ARG 39 2HH1 ARG 39 2.015 10.524 0.437 309 HH22 ARG 39 1HH1 ARG 39 0.423 10.913 0.996 310 H GLY 40 H GLY 40 6.232 4.723 4.015 311 HA2 GLY 40 1HA GLY 40 7.102 4.341 6.175 312 HA3 GLY 40 2HA GLY 40 5.544 4.730 6.878 313 H GLU 41 H GLU 41 4.766 2.969 4.158 314 HA GLU 41 HA GLU 41 4.186 0.686 5.733 315 HB2 GLU 41 1HB GLU 41 3.897 0.791 2.721 316 HB3 GLU 41 2HB GLU 41 2.891 -0.043 3.888 317 HG2 GLU 41 1HG GLU 41 2.745 2.668 4.669 318 HG3 GLU 41 2HG GLU 41 2.708 2.726 2.918 319 HA PRO 42 HA PRO 42 7.541 -1.817 4.592 320 HB2 PRO 42 1HB PRO 42 6.467 -4.329 4.513 321 HB3 PRO 42 2HB PRO 42 6.893 -3.515 6.005 322 HG2 PRO 42 1HG PRO 42 4.213 -3.972 4.842 323 HG3 PRO 42 2HG PRO 42 4.638 -3.557 6.491 324 HD2 PRO 42 1HD PRO 42 3.565 -1.794 4.499 325 HD3 PRO 42 2HD PRO 42 4.098 -1.355 6.109 326 H ILE 43 H ILE 43 8.664 -1.686 2.764 327 HA ILE 43 HA ILE 43 7.596 -1.462 0.315 328 HB ILE 43 HB ILE 43 9.774 -2.410 -0.524 329 HG12 ILE 43 1HG1 ILE 43 10.399 -2.683 2.431 330 HG13 ILE 43 2HG1 ILE 43 10.090 -4.027 1.349 331 HG21 ILE 43 1HG2 ILE 43 9.830 -0.259 1.610 332 HG22 ILE 43 2HG2 ILE 43 11.111 -0.552 0.410 333 HG23 ILE 43 3HG2 ILE 43 9.491 -0.043 -0.124 334 HD11 ILE 43 1HD1 ILE 43 12.363 -2.003 1.154 335 HD12 ILE 43 2HD1 ILE 43 12.493 -3.746 1.491 336 HD13 ILE 43 3HD1 ILE 43 11.992 -3.186 -0.123 337 H ARG 44 H ARG 44 8.320 -4.539 2.051 338 HA ARG 44 HA ARG 44 6.396 -5.790 0.321 339 HB2 ARG 44 1HB ARG 44 8.525 -6.244 -0.840 340 HB3 ARG 44 2HB ARG 44 9.265 -6.798 0.649 341 HG2 ARG 44 1HG ARG 44 8.661 -8.828 -0.372 342 HG3 ARG 44 2HG ARG 44 7.310 -8.556 0.710 343 HD2 ARG 44 1HD ARG 44 6.036 -8.874 -1.172 344 HD3 ARG 44 2HD ARG 44 6.421 -7.197 -1.506 345 HE ARG 44 HE ARG 44 7.615 -7.949 -3.353 346 HH11 ARG 44 2HH2 ARG 44 7.703 -10.461 -0.890 347 HH12 ARG 44 1HH2 ARG 44 8.632 -11.556 -1.858 348 HH21 ARG 44 2HH1 ARG 44 8.841 -9.394 -4.631 349 HH22 ARG 44 1HH1 ARG 44 9.284 -10.945 -4.000 350 H LEU 45 H LEU 45 5.093 -7.159 1.536 351 HA LEU 45 HA LEU 45 5.770 -7.482 4.314 352 HB2 LEU 45 1HB LEU 45 3.371 -7.888 2.593 353 HB3 LEU 45 2HB LEU 45 3.470 -8.794 4.090 354 HG LEU 45 HG LEU 45 3.962 -5.845 4.203 355 HD11 LEU 45 1HD1 LEU 45 1.848 -5.161 3.816 356 HD12 LEU 45 2HD1 LEU 45 1.789 -6.622 2.801 357 HD13 LEU 45 3HD1 LEU 45 1.125 -6.658 4.452 358 HD21 LEU 45 1HD2 LEU 45 3.244 -8.035 6.031 359 HD22 LEU 45 2HD2 LEU 45 4.110 -6.510 6.337 360 HD23 LEU 45 3HD2 LEU 45 2.330 -6.529 6.286 361 H PHE 46 H PHE 46 5.313 -9.760 5.313 362 HA PHE 46 HA PHE 46 7.172 -11.521 4.061 363 HB2 PHE 46 1HB PHE 46 6.349 -10.952 6.622 364 HB3 PHE 46 2HB PHE 46 5.300 -12.320 6.309 365 HD1 PHE 46 2HD PHE 46 6.727 -14.327 5.047 366 HD2 PHE 46 1HD PHE 46 8.250 -11.475 7.795 367 HE1 PHE 46 2HE PHE 46 8.596 -15.894 5.637 368 HE2 PHE 46 1HE PHE 46 10.119 -13.043 8.386 369 HZ PHE 46 HZ PHE 46 10.270 -15.233 7.300 370 H GLY 47 H GLY 47 6.457 -12.486 2.172 371 HA2 GLY 47 1HA GLY 47 5.394 -14.528 1.469 372 HA3 GLY 47 2HA GLY 47 3.986 -14.090 2.417 373 H GLU 48 H GLU 48 4.544 -11.124 1.483 374 HA GLU 48 HA GLU 48 2.687 -11.220 -0.608 375 HB2 GLU 48 1HB GLU 48 4.078 -9.189 0.987 376 HB3 GLU 48 2HB GLU 48 3.927 -8.686 -0.685 377 HG2 GLU 48 1HG GLU 48 1.433 -9.421 -0.502 378 HG3 GLU 48 2HG GLU 48 1.697 -9.476 1.230 379 H THR 49 H THR 49 3.018 -10.341 -2.846 380 HA THR 49 HA THR 49 5.749 -10.912 -3.799 381 HB THR 49 HB THR 49 4.037 -12.694 -4.348 382 HG1 THR 49 1HG THR 49 4.773 -10.966 -6.598 383 HG21 THR 49 1HG2 THR 49 2.344 -12.135 -6.092 384 HG22 THR 49 2HG2 THR 49 2.019 -11.224 -4.598 385 HG23 THR 49 3HG2 THR 49 2.796 -10.417 -5.982 386 H ASP 50 H ASP 50 6.310 -9.816 -5.876 387 HA ASP 50 HA ASP 50 6.333 -7.198 -5.660 388 HB2 ASP 50 1HB ASP 50 6.280 -9.027 -8.051 389 HB3 ASP 50 2HB ASP 50 6.163 -7.306 -8.364 390 H TYR 51 H TYR 51 3.736 -9.188 -7.208 391 HA TYR 51 HA TYR 51 2.201 -7.082 -8.205 392 HB2 TYR 51 1HB TYR 51 2.226 -9.829 -8.261 393 HB3 TYR 51 2HB TYR 51 1.008 -9.616 -7.019 394 HD1 TYR 51 2HD TYR 51 -0.043 -6.930 -8.345 395 HD2 TYR 51 1HD TYR 51 0.651 -10.898 -9.787 396 HE1 TYR 51 2HE TYR 51 -1.810 -6.594 -10.141 397 HE2 TYR 51 1HE TYR 51 -1.120 -10.549 -11.578 398 HH TYR 51 HH TYR 51 -2.606 -9.222 -12.401 399 H ASP 52 H ASP 52 1.589 -9.088 -5.228 400 HA ASP 52 HA ASP 52 -0.484 -7.714 -4.261 401 HB2 ASP 52 1HB ASP 52 1.250 -9.665 -3.310 402 HB3 ASP 52 2HB ASP 52 1.553 -8.354 -2.188 403 H ALA 53 H ALA 53 3.030 -7.128 -3.458 404 HA ALA 53 HA ALA 53 2.688 -4.897 -1.884 405 HB1 ALA 53 1HB ALA 53 4.782 -6.220 -2.183 406 HB2 ALA 53 2HB ALA 53 4.970 -5.510 -3.805 407 HB3 ALA 53 3HB ALA 53 5.047 -4.469 -2.363 408 H PHE 54 H PHE 54 3.175 -5.127 -5.471 409 HA PHE 54 HA PHE 54 3.196 -2.416 -5.977 410 HB2 PHE 54 1HB PHE 54 3.762 -3.880 -7.773 411 HB3 PHE 54 2HB PHE 54 2.462 -4.994 -7.397 412 HD1 PHE 54 2HD PHE 54 2.601 -1.360 -8.280 413 HD2 PHE 54 1HD PHE 54 0.977 -5.185 -9.137 414 HE1 PHE 54 2HE PHE 54 1.212 -0.359 -10.115 415 HE2 PHE 54 1HE PHE 54 -0.413 -4.184 -10.972 416 HZ PHE 54 HZ PHE 54 -0.279 -1.783 -11.439 417 H GLN 55 H GLN 55 0.376 -4.688 -6.379 418 HA GLN 55 HA GLN 55 -1.478 -2.812 -6.956 419 HB2 GLN 55 1HB GLN 55 -1.793 -5.382 -5.347 420 HB3 GLN 55 2HB GLN 55 -3.145 -4.462 -5.976 421 HG2 GLN 55 1HG GLN 55 -0.945 -5.204 -7.899 422 HG3 GLN 55 2HG GLN 55 -2.024 -6.479 -7.369 423 HE21 GLN 55 1HE2 GLN 55 -3.578 -6.840 -8.739 424 HE22 GLN 55 2HE2 GLN 55 -4.462 -5.675 -9.667 425 H ARG 56 H ARG 56 -0.484 -3.994 -3.676 426 HA ARG 56 HA ARG 56 -2.247 -2.760 -2.129 427 HB2 ARG 56 1HB ARG 56 -0.006 -4.096 -1.595 428 HB3 ARG 56 2HB ARG 56 0.695 -2.499 -1.425 429 HG2 ARG 56 1HG ARG 56 -0.551 -1.991 0.479 430 HG3 ARG 56 2HG ARG 56 -1.912 -2.981 -0.009 431 HD2 ARG 56 1HD ARG 56 -0.368 -3.792 1.977 432 HD3 ARG 56 2HD ARG 56 -0.951 -4.964 0.812 433 HE ARG 56 HE ARG 56 1.234 -5.202 -0.040 434 HH11 ARG 56 2HH2 ARG 56 1.080 -2.423 2.113 435 HH12 ARG 56 1HH2 ARG 56 2.797 -2.204 2.161 436 HH21 ARG 56 2HH1 ARG 56 3.500 -4.913 0.022 437 HH22 ARG 56 1HH1 ARG 56 4.183 -3.630 0.964 438 H LEU 57 H LEU 57 0.895 -1.248 -3.203 439 HA LEU 57 HA LEU 57 0.301 1.282 -2.182 440 HB2 LEU 57 1HB LEU 57 2.545 0.639 -2.623 441 HB3 LEU 57 2HB LEU 57 2.199 0.305 -4.308 442 HG LEU 57 HG LEU 57 3.469 2.463 -3.693 443 HD11 LEU 57 1HD1 LEU 57 3.023 3.101 -5.781 444 HD12 LEU 57 2HD1 LEU 57 1.871 1.745 -5.838 445 HD13 LEU 57 3HD1 LEU 57 1.303 3.379 -5.419 446 HD21 LEU 57 1HD2 LEU 57 2.191 3.383 -1.949 447 HD22 LEU 57 2HD2 LEU 57 1.861 4.416 -3.361 448 HD23 LEU 57 3HD2 LEU 57 0.666 3.200 -2.850 449 H ARG 58 H ARG 58 -0.040 -0.097 -5.519 450 HA ARG 58 HA ARG 58 -0.895 2.075 -6.807 451 HB2 ARG 58 1HB ARG 58 -0.925 -0.714 -7.251 452 HB3 ARG 58 2HB ARG 58 -2.600 -0.243 -7.462 453 HG2 ARG 58 1HG ARG 58 -0.590 1.553 -8.761 454 HG3 ARG 58 2HG ARG 58 -0.699 -0.061 -9.434 455 HD2 ARG 58 1HD ARG 58 -3.279 1.412 -8.900 456 HD3 ARG 58 2HD ARG 58 -2.313 1.930 -10.267 457 HE ARG 58 HE ARG 58 -2.598 -0.955 -10.247 458 HH11 ARG 58 2HH2 ARG 58 -4.306 2.018 -11.039 459 HH12 ARG 58 1HH2 ARG 58 -5.332 1.266 -12.215 460 HH21 ARG 58 2HH1 ARG 58 -3.951 -1.947 -11.798 461 HH22 ARG 58 1HH1 ARG 58 -5.129 -1.005 -12.649 462 H LYS 59 H LYS 59 -2.549 0.320 -4.245 463 HA LYS 59 HA LYS 59 -5.094 1.585 -4.864 464 HB2 LYS 59 1HB LYS 59 -5.342 -0.685 -4.298 465 HB3 LYS 59 2HB LYS 59 -4.210 -0.583 -2.965 466 HG2 LYS 59 1HG LYS 59 -6.537 -0.655 -2.126 467 HG3 LYS 59 2HG LYS 59 -5.777 0.865 -1.702 468 HD2 LYS 59 1HD LYS 59 -6.995 2.086 -3.341 469 HD3 LYS 59 2HD LYS 59 -7.371 0.651 -4.273 470 HE2 LYS 59 1HE LYS 59 -8.747 -0.149 -2.230 471 HE3 LYS 59 2HE LYS 59 -8.552 1.468 -1.584 472 HZ1 LYS 59 1HZ LYS 59 -10.570 0.996 -2.996 473 HZ2 LYS 59 2HZ LYS 59 -9.743 2.364 -3.332 474 HZ3 LYS 59 3HZ LYS 59 -9.576 1.052 -4.291 475 H ILE 60 H ILE 60 -2.356 1.710 -2.573 476 HA ILE 60 HA ILE 60 -3.579 3.356 -0.675 477 HB ILE 60 HB ILE 60 -0.725 2.827 -1.461 478 HG12 ILE 60 1HG1 ILE 60 -2.460 1.994 0.879 479 HG13 ILE 60 2HG1 ILE 60 -1.862 0.971 -0.412 480 HG21 ILE 60 1HG2 ILE 60 -0.973 5.164 -0.587 481 HG22 ILE 60 2HG2 ILE 60 -1.593 4.468 0.929 482 HG23 ILE 60 3HG2 ILE 60 0.065 4.102 0.394 483 HD11 ILE 60 1HD1 ILE 60 0.467 1.344 0.306 484 HD12 ILE 60 2HD1 ILE 60 -0.085 2.482 1.559 485 HD13 ILE 60 3HD1 ILE 60 -0.504 0.756 1.676 486 H GLU 61 H GLU 61 -1.691 4.083 -3.668 487 HA GLU 61 HA GLU 61 -1.551 6.791 -3.332 488 HB2 GLU 61 1HB GLU 61 -1.829 5.176 -5.904 489 HB3 GLU 61 2HB GLU 61 -1.348 6.860 -5.850 490 HG2 GLU 61 1HG GLU 61 0.132 4.665 -4.332 491 HG3 GLU 61 2HG GLU 61 0.569 5.161 -5.955 492 H ILE 62 H ILE 62 -4.199 4.752 -4.668 493 HA ILE 62 HA ILE 62 -5.770 6.847 -5.635 494 HB ILE 62 HB ILE 62 -6.568 4.118 -4.615 495 HG12 ILE 62 1HG1 ILE 62 -6.100 4.907 -7.490 496 HG13 ILE 62 2HG1 ILE 62 -4.793 4.322 -6.480 497 HG21 ILE 62 1HG2 ILE 62 -8.676 4.634 -5.062 498 HG22 ILE 62 2HG2 ILE 62 -8.183 6.309 -5.406 499 HG23 ILE 62 3HG2 ILE 62 -8.236 5.109 -6.720 500 HD11 ILE 62 1HD1 ILE 62 -5.520 2.291 -7.313 501 HD12 ILE 62 2HD1 ILE 62 -6.608 2.400 -5.908 502 HD13 ILE 62 3HD1 ILE 62 -7.194 2.859 -7.526 503 H LEU 63 H LEU 63 -5.904 5.058 -2.475 504 HA LEU 63 HA LEU 63 -7.954 6.381 -1.311 505 HB2 LEU 63 1HB LEU 63 -5.460 5.097 -0.326 506 HB3 LEU 63 2HB LEU 63 -6.359 6.081 0.813 507 HG LEU 63 HG LEU 63 -7.529 3.764 -0.753 508 HD11 LEU 63 1HD1 LEU 63 -7.539 2.987 1.867 509 HD12 LEU 63 2HD1 LEU 63 -6.329 2.501 0.655 510 HD13 LEU 63 3HD1 LEU 63 -5.992 3.860 1.754 511 HD21 LEU 63 1HD2 LEU 63 -9.377 3.951 0.920 512 HD22 LEU 63 2HD2 LEU 63 -8.653 5.480 1.474 513 HD23 LEU 63 3HD2 LEU 63 -9.250 5.332 -0.197 514 H THR 64 H THR 64 -4.472 7.361 -0.915 515 HA THR 64 HA THR 64 -4.841 9.715 0.366 516 HB THR 64 HB THR 64 -2.868 8.938 -1.843 517 HG1 THR 64 1HG THR 64 -2.627 7.635 0.004 518 HG21 THR 64 1HG2 THR 64 -3.028 11.492 -1.226 519 HG22 THR 64 2HG2 THR 64 -2.402 10.986 0.362 520 HG23 THR 64 3HG2 THR 64 -1.437 10.704 -1.107 521 HA PRO 65 HA PRO 65 -6.966 12.354 -2.273 522 HB2 PRO 65 1HB PRO 65 -6.430 14.755 -1.084 523 HB3 PRO 65 2HB PRO 65 -7.665 13.654 -0.506 524 HG2 PRO 65 1HG PRO 65 -4.994 14.207 0.634 525 HG3 PRO 65 2HG PRO 65 -6.381 13.459 1.400 526 HD2 PRO 65 1HD PRO 65 -4.041 12.127 0.411 527 HD3 PRO 65 2HD PRO 65 -5.477 11.371 1.071 528 H GLU 66 H GLU 66 -6.430 14.973 -3.028 529 HA GLU 66 HA GLU 66 -5.314 16.105 -4.506 530 HB2 GLU 66 1HB GLU 66 -3.238 14.899 -2.882 531 HB3 GLU 66 2HB GLU 66 -2.673 15.002 -4.537 532 HG2 GLU 66 1HG GLU 66 -3.659 17.467 -4.435 533 HG3 GLU 66 2HG GLU 66 -3.559 17.243 -2.700 534 H VAL 67 H VAL 67 -5.124 16.019 -6.754 535 HA VAL 67 HA VAL 67 -5.513 15.040 -8.727 536 HB VAL 67 HB VAL 67 -3.048 13.515 -7.862 537 HG11 VAL 67 1HG1 VAL 67 -4.307 14.056 -10.552 538 HG12 VAL 67 2HG1 VAL 67 -2.563 13.736 -10.392 539 HG13 VAL 67 3HG1 VAL 67 -3.744 12.514 -9.864 540 HG21 VAL 67 1HG2 VAL 67 -1.733 15.341 -8.641 541 HG22 VAL 67 2HG2 VAL 67 -3.153 16.163 -9.332 542 HG23 VAL 67 3HG2 VAL 67 -2.971 16.032 -7.566 543 H ASN 68 H ASN 68 -7.555 14.062 -7.834 544 HA ASN 68 HA ASN 68 -7.763 11.458 -8.663 545 HB2 ASN 68 1HB ASN 68 -6.507 11.287 -6.295 546 HB3 ASN 68 2HB ASN 68 -8.119 11.521 -5.650 547 HD21 ASN 68 1HD2 ASN 68 -6.410 9.659 -8.159 548 HD22 ASN 68 2HD2 ASN 68 -7.241 8.158 -7.925 549 H LYS 69 H LYS 69 -10.057 10.786 -8.570 550 HA LYS 69 HA LYS 69 -11.803 13.011 -7.840 551 HB2 LYS 69 1HB LYS 69 -13.401 12.047 -9.362 552 HB3 LYS 69 2HB LYS 69 -11.853 12.189 -10.171 553 HG2 LYS 69 1HG LYS 69 -11.547 9.680 -9.201 554 HG3 LYS 69 2HG LYS 69 -13.299 9.713 -9.251 555 HD2 LYS 69 1HD LYS 69 -13.364 9.663 -11.542 556 HD3 LYS 69 2HD LYS 69 -12.049 10.810 -11.704 557 HE2 LYS 69 1HE LYS 69 -10.508 8.835 -10.907 558 HE3 LYS 69 2HE LYS 69 -11.874 7.804 -11.285 559 HZ1 LYS 69 1HZ LYS 69 -10.104 9.143 -13.050 560 HZ2 LYS 69 2HZ LYS 69 -11.090 7.873 -13.336 561 HZ3 LYS 69 3HZ LYS 69 -11.668 9.397 -13.446 562 H GLY 70 H GLY 70 -11.125 12.178 -5.518 563 HA2 GLY 70 1HA GLY 70 -12.257 9.767 -4.571 564 HA3 GLY 70 2HA GLY 70 -11.713 11.131 -3.615 565 H SER 71 H SER 71 -13.197 12.710 -2.882 566 HA SER 71 HA SER 71 -15.116 13.485 -2.232 567 HB2 SER 71 1HB SER 71 -16.747 14.015 -3.855 568 HB3 SER 71 2HB SER 71 -15.273 13.869 -4.792 569 HG SER 71 HG SER 71 -17.341 11.862 -4.493 570 H GLY 72 H GLY 72 -17.498 12.885 -1.655 571 HA2 GLY 72 1HA GLY 72 -19.099 11.353 -1.091 572 HA3 GLY 72 2HA GLY 72 -18.133 10.062 -1.775 573 HA PRO 73 HA PRO 73 -17.662 9.516 2.649 574 HB2 PRO 73 1HB PRO 73 -17.826 6.788 2.654 575 HB3 PRO 73 2HB PRO 73 -19.217 7.832 2.871 576 HG2 PRO 73 1HG PRO 73 -18.425 6.271 0.488 577 HG3 PRO 73 2HG PRO 73 -19.987 6.964 0.877 578 HD2 PRO 73 1HD PRO 73 -18.075 7.989 -0.999 579 HD3 PRO 73 2HD PRO 73 -19.585 8.741 -0.524 580 H SER 74 H SER 74 -16.123 8.021 3.987 581 HA SER 74 HA SER 74 -13.741 7.725 2.337 582 HB2 SER 74 1HB SER 74 -13.322 9.736 3.554 583 HB3 SER 74 2HB SER 74 -14.036 9.104 5.024 584 HG SER 74 HG SER 74 -11.618 8.063 3.812 585 H SER 75 H SER 75 -15.115 7.065 5.648 586 HA SER 75 HA SER 75 -13.640 4.603 5.710 587 HB2 SER 75 1HB SER 75 -13.666 5.835 7.773 588 HB3 SER 75 2HB SER 75 -15.402 6.068 7.706 589 HG SER 75 HG SER 75 -15.654 3.736 7.991 590 H GLY 76 H GLY 76 -14.708 2.493 6.094 591 HA2 GLY 76 1HA GLY 76 -16.729 1.230 6.252 592 HA3 GLY 76 2HA GLY 76 -17.544 2.435 5.275 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -52.800 31.795 9.244 2 HA2 GLY 1 1HA GLY 1 -51.598 29.287 9.854 3 HA3 GLY 1 2HA GLY 1 -52.249 29.290 8.227 4 H SER 2 H SER 2 -49.697 28.988 8.015 5 HA SER 2 HA SER 2 -48.784 31.324 6.819 6 HB2 SER 2 1HB SER 2 -47.098 32.122 8.260 7 HB3 SER 2 2HB SER 2 -48.434 31.811 9.350 8 HG SER 2 HG SER 2 -45.967 30.429 9.063 9 H SER 3 H SER 3 -46.448 30.988 5.979 10 HA SER 3 HA SER 3 -45.144 28.595 6.289 11 HB2 SER 3 1HB SER 3 -45.681 27.461 4.116 12 HB3 SER 3 2HB SER 3 -47.026 27.471 5.240 13 HG SER 3 HG SER 3 -48.069 29.065 4.047 14 H GLY 4 H GLY 4 -43.513 28.261 4.326 15 HA2 GLY 4 1HA GLY 4 -42.912 30.915 3.162 16 HA3 GLY 4 2HA GLY 4 -41.687 29.893 3.888 17 H SER 5 H SER 5 -40.472 29.674 1.936 18 HA SER 5 HA SER 5 -41.103 27.482 0.420 19 HB2 SER 5 1HB SER 5 -41.469 28.684 -1.833 20 HB3 SER 5 2HB SER 5 -42.838 28.606 -0.742 21 HG SER 5 HG SER 5 -42.822 30.746 -0.513 22 H SER 6 H SER 6 -39.260 26.859 -0.805 23 HA SER 6 HA SER 6 -37.372 28.736 -1.664 24 HB2 SER 6 1HB SER 6 -35.608 28.498 -0.123 25 HB3 SER 6 2HB SER 6 -37.015 28.626 0.913 26 HG SER 6 HG SER 6 -35.578 26.865 1.527 27 H GLY 7 H GLY 7 -35.255 27.467 -2.391 28 HA2 GLY 7 1HA GLY 7 -35.039 24.759 -2.594 29 HA3 GLY 7 2HA GLY 7 -36.155 25.179 -3.878 30 H THR 8 H THR 8 -33.280 24.180 -3.930 31 HA THR 8 HA THR 8 -32.408 25.743 -6.099 32 HB THR 8 HB THR 8 -31.916 27.339 -4.180 33 HG1 THR 8 1HG THR 8 -29.720 25.972 -5.572 34 HG21 THR 8 1HG2 THR 8 -30.328 26.822 -2.520 35 HG22 THR 8 2HG2 THR 8 -31.163 25.257 -2.664 36 HG23 THR 8 3HG2 THR 8 -29.604 25.513 -3.484 37 H SER 9 H SER 9 -31.684 24.171 -7.378 38 HA SER 9 HA SER 9 -29.460 22.700 -6.727 39 HB2 SER 9 1HB SER 9 -32.031 21.455 -5.904 40 HB3 SER 9 2HB SER 9 -31.007 20.412 -6.871 41 HG SER 9 HG SER 9 -29.711 21.840 -4.792 42 H SER 10 H SER 10 -28.656 21.669 -8.618 43 HA SER 10 HA SER 10 -30.303 20.846 -10.694 44 HB2 SER 10 1HB SER 10 -30.515 23.431 -10.824 45 HB3 SER 10 2HB SER 10 -28.849 23.430 -11.368 46 HG SER 10 HG SER 10 -31.190 22.516 -12.692 47 H ASN 11 H ASN 11 -29.046 19.156 -11.385 48 HA ASN 11 HA ASN 11 -26.434 19.699 -12.328 49 HB2 ASN 11 1HB ASN 11 -26.066 19.371 -9.825 50 HB3 ASN 11 2HB ASN 11 -26.731 17.756 -9.977 51 HD21 ASN 11 1HD2 ASN 11 -25.136 16.379 -9.775 52 HD22 ASN 11 2HD2 ASN 11 -23.618 16.407 -10.609 53 HA PRO 12 HA PRO 12 -28.648 16.264 -14.290 54 HB2 PRO 12 1HB PRO 12 -28.179 16.996 -16.881 55 HB3 PRO 12 2HB PRO 12 -29.605 17.488 -15.990 56 HG2 PRO 12 1HG PRO 12 -27.218 19.083 -16.695 57 HG3 PRO 12 2HG PRO 12 -28.803 19.640 -16.196 58 HD2 PRO 12 1HD PRO 12 -26.430 19.550 -14.587 59 HD3 PRO 12 2HD PRO 12 -28.039 19.997 -14.057 60 H VAL 13 H VAL 13 -26.640 15.403 -13.034 61 HA VAL 13 HA VAL 13 -25.392 13.658 -14.826 62 HB VAL 13 HB VAL 13 -24.237 15.804 -15.429 63 HG11 VAL 13 1HG1 VAL 13 -23.046 15.517 -12.649 64 HG12 VAL 13 2HG1 VAL 13 -22.511 16.664 -13.901 65 HG13 VAL 13 3HG1 VAL 13 -24.139 16.811 -13.195 66 HG21 VAL 13 1HG2 VAL 13 -23.296 13.285 -15.395 67 HG22 VAL 13 2HG2 VAL 13 -22.334 14.673 -15.959 68 HG23 VAL 13 3HG2 VAL 13 -22.110 14.047 -14.308 69 H LEU 14 H LEU 14 -24.568 11.918 -13.679 70 HA LEU 14 HA LEU 14 -24.091 12.338 -10.829 71 HB2 LEU 14 1HB LEU 14 -25.781 10.055 -11.831 72 HB3 LEU 14 2HB LEU 14 -25.469 10.528 -10.173 73 HG LEU 14 HG LEU 14 -26.707 12.692 -10.671 74 HD11 LEU 14 1HD1 LEU 14 -28.398 11.805 -12.735 75 HD12 LEU 14 2HD1 LEU 14 -27.238 13.155 -12.774 76 HD13 LEU 14 3HD1 LEU 14 -26.736 11.534 -13.311 77 HD21 LEU 14 1HD2 LEU 14 -27.855 11.195 -9.318 78 HD22 LEU 14 2HD2 LEU 14 -28.988 11.464 -10.665 79 HD23 LEU 14 3HD2 LEU 14 -28.007 9.980 -10.610 80 H GLU 15 H GLU 15 -24.003 9.257 -10.677 81 HA GLU 15 HA GLU 15 -22.192 8.278 -12.468 82 HB2 GLU 15 1HB GLU 15 -20.892 10.238 -11.051 83 HB3 GLU 15 2HB GLU 15 -20.539 8.843 -10.051 84 HG2 GLU 15 1HG GLU 15 -20.066 7.782 -12.543 85 HG3 GLU 15 2HG GLU 15 -19.645 9.458 -12.837 86 H LEU 16 H LEU 16 -23.723 6.551 -12.009 87 HA LEU 16 HA LEU 16 -22.927 5.042 -9.641 88 HB2 LEU 16 1HB LEU 16 -25.297 4.461 -9.222 89 HB3 LEU 16 2HB LEU 16 -24.874 6.125 -8.869 90 HG LEU 16 HG LEU 16 -25.831 6.015 -11.564 91 HD11 LEU 16 1HD1 LEU 16 -26.926 3.921 -11.006 92 HD12 LEU 16 2HD1 LEU 16 -27.664 4.661 -9.566 93 HD13 LEU 16 3HD1 LEU 16 -28.130 5.219 -11.191 94 HD21 LEU 16 1HD2 LEU 16 -26.565 7.338 -8.991 95 HD22 LEU 16 2HD2 LEU 16 -26.124 8.044 -10.564 96 HD23 LEU 16 3HD2 LEU 16 -27.749 7.359 -10.320 97 H GLU 17 H GLU 17 -21.845 3.422 -10.688 98 HA GLU 17 HA GLU 17 -23.340 1.508 -12.011 99 HB2 GLU 17 1HB GLU 17 -22.467 1.667 -14.304 100 HB3 GLU 17 2HB GLU 17 -23.346 3.125 -13.889 101 HG2 GLU 17 1HG GLU 17 -21.337 4.398 -13.593 102 HG3 GLU 17 2HG GLU 17 -20.338 2.962 -13.482 103 H LEU 18 H LEU 18 -21.951 -0.364 -12.709 104 HA LEU 18 HA LEU 18 -19.624 -0.472 -11.004 105 HB2 LEU 18 1HB LEU 18 -21.354 -2.417 -12.451 106 HB3 LEU 18 2HB LEU 18 -19.704 -2.895 -12.102 107 HG LEU 18 HG LEU 18 -21.362 -1.776 -9.872 108 HD11 LEU 18 1HD1 LEU 18 -22.933 -3.305 -10.808 109 HD12 LEU 18 2HD1 LEU 18 -21.682 -4.551 -11.035 110 HD13 LEU 18 3HD1 LEU 18 -22.196 -4.094 -9.393 111 HD21 LEU 18 1HD2 LEU 18 -20.051 -3.680 -8.692 112 HD22 LEU 18 2HD2 LEU 18 -19.046 -3.670 -10.162 113 HD23 LEU 18 3HD2 LEU 18 -19.193 -2.196 -9.174 114 H ALA 19 H ALA 19 -17.479 -0.817 -11.688 115 HA ALA 19 HA ALA 19 -16.756 -1.260 -14.347 116 HB1 ALA 19 1HB ALA 19 -16.231 1.613 -13.582 117 HB2 ALA 19 2HB ALA 19 -16.233 0.855 -15.193 118 HB3 ALA 19 3HB ALA 19 -17.771 1.163 -14.352 119 H GLU 20 H GLU 20 -15.104 -2.579 -13.703 120 HA GLU 20 HA GLU 20 -13.112 -1.310 -12.000 121 HB2 GLU 20 1HB GLU 20 -14.690 -3.221 -10.976 122 HB3 GLU 20 2HB GLU 20 -13.560 -4.283 -11.792 123 HG2 GLU 20 1HG GLU 20 -12.245 -4.058 -9.947 124 HG3 GLU 20 2HG GLU 20 -11.848 -2.466 -10.563 125 H GLU 21 H GLU 21 -13.385 -1.586 -14.965 126 HA GLU 21 HA GLU 21 -12.122 -3.581 -16.145 127 HB2 GLU 21 1HB GLU 21 -12.505 -0.756 -16.676 128 HB3 GLU 21 2HB GLU 21 -10.925 -1.237 -17.261 129 HG2 GLU 21 1HG GLU 21 -12.409 -3.361 -18.150 130 HG3 GLU 21 2HG GLU 21 -13.638 -2.112 -18.178 131 H LYS 22 H LYS 22 -10.647 -1.182 -13.971 132 HA LYS 22 HA LYS 22 -8.563 -0.878 -13.262 133 HB2 LYS 22 1HB LYS 22 -7.638 -2.732 -12.159 134 HB3 LYS 22 2HB LYS 22 -9.362 -3.040 -12.184 135 HG2 LYS 22 1HG LYS 22 -9.158 -4.629 -13.994 136 HG3 LYS 22 2HG LYS 22 -7.516 -4.129 -14.348 137 HD2 LYS 22 1HD LYS 22 -6.784 -4.981 -12.101 138 HD3 LYS 22 2HD LYS 22 -8.424 -5.508 -11.776 139 HE2 LYS 22 1HE LYS 22 -7.904 -6.646 -14.279 140 HE3 LYS 22 2HE LYS 22 -6.350 -6.762 -13.477 141 HZ1 LYS 22 1HZ LYS 22 -7.491 -7.791 -11.604 142 HZ2 LYS 22 2HZ LYS 22 -8.909 -7.737 -12.412 143 HZ3 LYS 22 3HZ LYS 22 -7.683 -8.656 -12.975 144 H LEU 23 H LEU 23 -6.097 -2.079 -13.628 145 HA LEU 23 HA LEU 23 -5.712 -2.425 -16.472 146 HB2 LEU 23 1HB LEU 23 -5.016 0.052 -15.005 147 HB3 LEU 23 2HB LEU 23 -3.780 -0.590 -16.069 148 HG LEU 23 HG LEU 23 -6.514 -0.375 -17.218 149 HD11 LEU 23 1HD1 LEU 23 -6.479 1.970 -17.558 150 HD12 LEU 23 2HD1 LEU 23 -6.203 1.707 -15.820 151 HD13 LEU 23 3HD1 LEU 23 -4.838 2.119 -16.885 152 HD21 LEU 23 1HD2 LEU 23 -4.903 -1.160 -18.715 153 HD22 LEU 23 2HD2 LEU 23 -5.073 0.563 -19.130 154 HD23 LEU 23 3HD2 LEU 23 -3.681 0.013 -18.168 155 HA PRO 24 HA PRO 24 -2.503 -4.907 -15.005 156 HB2 PRO 24 1HB PRO 24 -0.700 -4.884 -17.058 157 HB3 PRO 24 2HB PRO 24 -2.157 -5.857 -17.074 158 HG2 PRO 24 1HG PRO 24 -1.581 -3.358 -18.544 159 HG3 PRO 24 2HG PRO 24 -2.824 -4.553 -18.855 160 HD2 PRO 24 1HD PRO 24 -3.180 -1.989 -17.620 161 HD3 PRO 24 2HD PRO 24 -4.399 -3.231 -17.827 162 H MET 25 H MET 25 -0.106 -5.165 -14.498 163 HA MET 25 HA MET 25 0.645 -3.312 -12.781 164 HB2 MET 25 1HB MET 25 1.833 -5.520 -14.074 165 HB3 MET 25 2HB MET 25 2.949 -4.215 -14.428 166 HG2 MET 25 1HG MET 25 3.012 -3.655 -11.957 167 HG3 MET 25 2HG MET 25 1.988 -5.043 -11.646 168 HE1 MET 25 1HE MET 25 3.591 -5.819 -10.022 169 HE2 MET 25 2HE MET 25 5.139 -6.634 -10.355 170 HE3 MET 25 3HE MET 25 5.065 -4.857 -10.286 171 H THR 26 H THR 26 1.702 -1.304 -12.701 172 HA THR 26 HA THR 26 2.435 -0.124 -15.290 173 HB THR 26 HB THR 26 1.185 1.881 -14.741 174 HG1 THR 26 1HG THR 26 0.579 0.473 -12.244 175 HG21 THR 26 1HG2 THR 26 -0.540 -0.446 -13.748 176 HG22 THR 26 2HG2 THR 26 -1.121 1.103 -14.405 177 HG23 THR 26 3HG2 THR 26 -0.295 -0.062 -15.469 178 H LEU 27 H LEU 27 2.613 0.111 -11.687 179 HA LEU 27 HA LEU 27 5.128 1.547 -12.004 180 HB2 LEU 27 1HB LEU 27 3.830 0.914 -9.381 181 HB3 LEU 27 2HB LEU 27 4.885 2.246 -9.808 182 HG LEU 27 HG LEU 27 2.192 2.068 -11.115 183 HD11 LEU 27 1HD1 LEU 27 2.095 1.728 -8.519 184 HD12 LEU 27 2HD1 LEU 27 2.432 3.475 -8.479 185 HD13 LEU 27 3HD1 LEU 27 0.989 2.867 -9.324 186 HD21 LEU 27 1HD2 LEU 27 2.442 4.308 -11.526 187 HD22 LEU 27 2HD2 LEU 27 3.473 4.574 -10.100 188 HD23 LEU 27 3HD2 LEU 27 4.143 3.784 -11.547 189 H SER 28 H SER 28 7.117 0.772 -11.177 190 HA SER 28 HA SER 28 7.154 -2.107 -11.027 191 HB2 SER 28 1HB SER 28 9.312 0.010 -11.358 192 HB3 SER 28 2HB SER 28 9.710 -1.674 -11.075 193 HG SER 28 HG SER 28 9.367 -2.048 -13.146 194 H ARG 29 H ARG 29 8.834 -3.061 -9.370 195 HA ARG 29 HA ARG 29 7.970 -2.856 -6.914 196 HB2 ARG 29 1HB ARG 29 10.632 -3.189 -6.331 197 HB3 ARG 29 2HB ARG 29 9.618 -4.464 -6.977 198 HG2 ARG 29 1HG ARG 29 10.575 -4.361 -9.079 199 HG3 ARG 29 2HG ARG 29 10.785 -2.622 -9.020 200 HD2 ARG 29 1HD ARG 29 12.918 -2.795 -8.214 201 HD3 ARG 29 2HD ARG 29 12.462 -3.990 -7.017 202 HE ARG 29 HE ARG 29 13.663 -4.529 -9.581 203 HH11 ARG 29 2HH2 ARG 29 11.290 -5.823 -7.328 204 HH12 ARG 29 1HH2 ARG 29 11.493 -7.460 -7.856 205 HH21 ARG 29 2HH1 ARG 29 13.931 -6.689 -10.278 206 HH22 ARG 29 1HH1 ARG 29 13.006 -7.956 -9.545 207 H GLN 30 H GLN 30 10.992 -1.068 -7.909 208 HA GLN 30 HA GLN 30 11.241 0.450 -5.694 209 HB2 GLN 30 1HB GLN 30 12.872 0.296 -7.593 210 HB3 GLN 30 2HB GLN 30 11.834 1.329 -8.555 211 HG2 GLN 30 1HG GLN 30 12.269 3.236 -7.243 212 HG3 GLN 30 2HG GLN 30 12.678 2.297 -5.821 213 HE21 GLN 30 1HE2 GLN 30 14.605 3.336 -5.492 214 HE22 GLN 30 2HE2 GLN 30 16.006 3.114 -6.486 215 H GLU 31 H GLU 31 9.460 1.348 -8.735 216 HA GLU 31 HA GLU 31 8.627 3.807 -7.952 217 HB2 GLU 31 1HB GLU 31 8.336 2.598 -10.211 218 HB3 GLU 31 2HB GLU 31 6.889 1.876 -9.535 219 HG2 GLU 31 1HG GLU 31 5.964 3.773 -10.520 220 HG3 GLU 31 2HG GLU 31 6.274 4.392 -8.911 221 H VAL 32 H VAL 32 7.613 0.654 -6.780 222 HA VAL 32 HA VAL 32 5.219 1.769 -5.559 223 HB VAL 32 HB VAL 32 6.374 -1.009 -5.795 224 HG11 VAL 32 1HG1 VAL 32 3.668 -0.977 -4.788 225 HG12 VAL 32 2HG1 VAL 32 5.119 -1.749 -4.106 226 HG13 VAL 32 3HG1 VAL 32 4.737 -0.058 -3.700 227 HG21 VAL 32 1HG2 VAL 32 4.613 -1.461 -7.290 228 HG22 VAL 32 2HG2 VAL 32 3.700 -0.015 -6.794 229 HG23 VAL 32 3HG2 VAL 32 5.188 0.158 -7.756 230 H ILE 33 H ILE 33 8.515 0.612 -4.799 231 HA ILE 33 HA ILE 33 8.149 0.563 -2.005 232 HB ILE 33 HB ILE 33 10.526 0.637 -3.839 233 HG12 ILE 33 1HG1 ILE 33 9.530 -1.475 -1.905 234 HG13 ILE 33 2HG1 ILE 33 9.150 -1.439 -3.615 235 HG21 ILE 33 1HG2 ILE 33 10.476 1.440 -1.059 236 HG22 ILE 33 2HG2 ILE 33 11.462 -0.025 -1.284 237 HG23 ILE 33 3HG2 ILE 33 11.821 1.442 -2.225 238 HD11 ILE 33 1HD1 ILE 33 11.228 -2.841 -2.719 239 HD12 ILE 33 2HD1 ILE 33 11.331 -1.968 -4.266 240 HD13 ILE 33 3HD1 ILE 33 12.050 -1.263 -2.798 241 H ARG 34 H ARG 34 9.094 3.082 -4.376 242 HA ARG 34 HA ARG 34 10.075 4.936 -2.668 243 HB2 ARG 34 1HB ARG 34 10.003 5.142 -5.166 244 HB3 ARG 34 2HB ARG 34 8.273 5.413 -5.096 245 HG2 ARG 34 1HG ARG 34 8.748 7.433 -3.586 246 HG3 ARG 34 2HG ARG 34 10.451 7.207 -3.934 247 HD2 ARG 34 1HD ARG 34 9.231 7.140 -6.478 248 HD3 ARG 34 2HD ARG 34 8.348 8.389 -5.623 249 HE ARG 34 HE ARG 34 10.239 9.742 -5.767 250 HH11 ARG 34 2HH2 ARG 34 11.252 6.381 -6.009 251 HH12 ARG 34 1HH2 ARG 34 12.916 6.770 -6.293 252 HH21 ARG 34 2HH1 ARG 34 12.434 10.256 -6.141 253 HH22 ARG 34 1HH1 ARG 34 13.593 8.989 -6.368 254 H ARG 35 H ARG 35 6.690 5.084 -4.010 255 HA ARG 35 HA ARG 35 5.718 6.920 -2.332 256 HB2 ARG 35 1HB ARG 35 4.395 4.475 -3.578 257 HB3 ARG 35 2HB ARG 35 3.456 5.623 -2.644 258 HG2 ARG 35 1HG ARG 35 3.447 7.144 -4.338 259 HG3 ARG 35 2HG ARG 35 5.180 7.015 -4.564 260 HD2 ARG 35 1HD ARG 35 4.969 5.156 -6.065 261 HD3 ARG 35 2HD ARG 35 3.323 4.824 -5.564 262 HE ARG 35 HE ARG 35 2.548 6.511 -7.009 263 HH11 ARG 35 2HH2 ARG 35 6.039 6.766 -6.649 264 HH12 ARG 35 1HH2 ARG 35 6.212 7.935 -7.915 265 HH21 ARG 35 2HH1 ARG 35 2.776 8.053 -8.679 266 HH22 ARG 35 1HH1 ARG 35 4.343 8.672 -9.078 267 H LEU 36 H LEU 36 5.269 3.328 -1.866 268 HA LEU 36 HA LEU 36 4.106 3.273 0.538 269 HB2 LEU 36 1HB LEU 36 6.317 1.510 -0.515 270 HB3 LEU 36 2HB LEU 36 5.396 1.147 0.931 271 HG LEU 36 HG LEU 36 4.256 1.435 -1.863 272 HD11 LEU 36 1HD1 LEU 36 4.384 -1.107 -0.250 273 HD12 LEU 36 2HD1 LEU 36 4.112 -0.892 -1.996 274 HD13 LEU 36 3HD1 LEU 36 5.726 -0.600 -1.305 275 HD21 LEU 36 1HD2 LEU 36 2.197 0.435 -0.776 276 HD22 LEU 36 2HD2 LEU 36 2.943 0.832 0.791 277 HD23 LEU 36 3HD2 LEU 36 2.562 2.129 -0.367 278 H ARG 37 H ARG 37 7.727 3.148 0.197 279 HA ARG 37 HA ARG 37 8.360 3.409 2.765 280 HB2 ARG 37 1HB ARG 37 9.635 4.312 0.203 281 HB3 ARG 37 2HB ARG 37 10.310 4.997 1.668 282 HG2 ARG 37 1HG ARG 37 10.267 2.472 2.521 283 HG3 ARG 37 2HG ARG 37 10.199 2.097 0.810 284 HD2 ARG 37 1HD ARG 37 12.296 3.251 0.380 285 HD3 ARG 37 2HD ARG 37 12.305 3.971 1.977 286 HE ARG 37 HE ARG 37 12.236 1.049 2.063 287 HH11 ARG 37 2HH2 ARG 37 14.338 3.859 1.789 288 HH12 ARG 37 1HH2 ARG 37 15.736 3.030 2.387 289 HH21 ARG 37 2HH1 ARG 37 14.081 -0.044 2.852 290 HH22 ARG 37 1HH1 ARG 37 15.589 0.795 2.996 291 H GLU 38 H GLU 38 7.801 6.162 0.450 292 HA GLU 38 HA GLU 38 8.215 8.173 2.275 293 HB2 GLU 38 1HB GLU 38 6.683 7.944 -0.316 294 HB3 GLU 38 2HB GLU 38 6.527 9.414 0.625 295 HG2 GLU 38 1HG GLU 38 9.292 8.941 0.647 296 HG3 GLU 38 2HG GLU 38 8.819 8.441 -0.965 297 H ARG 39 H ARG 39 5.418 6.058 1.722 298 HA ARG 39 HA ARG 39 3.743 7.731 3.335 299 HB2 ARG 39 1HB ARG 39 3.164 4.936 2.237 300 HB3 ARG 39 2HB ARG 39 1.981 6.087 2.826 301 HG2 ARG 39 1HG ARG 39 3.602 7.368 0.784 302 HG3 ARG 39 2HG ARG 39 3.015 5.837 0.164 303 HD2 ARG 39 1HD ARG 39 0.869 6.602 0.012 304 HD3 ARG 39 2HD ARG 39 0.905 7.270 1.631 305 HE ARG 39 HE ARG 39 1.411 8.711 -0.852 306 HH11 ARG 39 2HH2 ARG 39 2.127 8.652 2.593 307 HH12 ARG 39 1HH2 ARG 39 2.470 10.348 2.681 308 HH21 ARG 39 2HH1 ARG 39 1.864 10.948 -0.737 309 HH22 ARG 39 1HH1 ARG 39 2.320 11.662 0.774 310 H GLY 40 H GLY 40 6.230 5.615 3.960 311 HA2 GLY 40 1HA GLY 40 6.927 4.694 5.906 312 HA3 GLY 40 2HA GLY 40 5.451 5.226 6.686 313 H GLU 41 H GLU 41 4.835 3.517 3.741 314 HA GLU 41 HA GLU 41 3.700 1.383 5.234 315 HB2 GLU 41 1HB GLU 41 3.929 1.808 2.222 316 HB3 GLU 41 2HB GLU 41 2.949 0.574 2.989 317 HG2 GLU 41 1HG GLU 41 2.574 3.462 3.814 318 HG3 GLU 41 2HG GLU 41 1.884 2.919 2.297 319 HA PRO 42 HA PRO 42 6.909 -1.498 4.763 320 HB2 PRO 42 1HB PRO 42 5.580 -3.884 4.681 321 HB3 PRO 42 2HB PRO 42 5.889 -3.009 6.168 322 HG2 PRO 42 1HG PRO 42 3.358 -3.273 4.664 323 HG3 PRO 42 2HG PRO 42 3.599 -2.782 6.329 324 HD2 PRO 42 1HD PRO 42 3.011 -1.071 4.103 325 HD3 PRO 42 2HD PRO 42 3.367 -0.571 5.744 326 H ILE 43 H ILE 43 8.278 -1.621 3.110 327 HA ILE 43 HA ILE 43 7.400 -1.604 0.501 328 HB ILE 43 HB ILE 43 9.698 -2.240 -0.066 329 HG12 ILE 43 1HG1 ILE 43 10.461 -2.384 2.822 330 HG13 ILE 43 2HG1 ILE 43 9.752 -3.809 2.087 331 HG21 ILE 43 1HG2 ILE 43 10.819 -0.346 1.079 332 HG22 ILE 43 2HG2 ILE 43 9.225 0.076 0.408 333 HG23 ILE 43 3HG2 ILE 43 9.410 -0.202 2.157 334 HD11 ILE 43 1HD1 ILE 43 12.208 -3.866 1.867 335 HD12 ILE 43 2HD1 ILE 43 11.456 -3.718 0.261 336 HD13 ILE 43 3HD1 ILE 43 12.185 -2.292 1.036 337 H ARG 44 H ARG 44 7.578 -4.235 2.819 338 HA ARG 44 HA ARG 44 6.535 -5.950 0.744 339 HB2 ARG 44 1HB ARG 44 8.867 -6.620 0.790 340 HB3 ARG 44 2HB ARG 44 8.916 -6.592 2.542 341 HG2 ARG 44 1HG ARG 44 8.770 -8.919 1.739 342 HG3 ARG 44 2HG ARG 44 7.324 -8.503 2.637 343 HD2 ARG 44 1HD ARG 44 5.976 -8.761 0.807 344 HD3 ARG 44 2HD ARG 44 7.060 -7.856 -0.230 345 HE ARG 44 HE ARG 44 6.914 -10.729 -0.018 346 HH11 ARG 44 2HH2 ARG 44 9.222 -8.112 -0.473 347 HH12 ARG 44 1HH2 ARG 44 10.361 -9.095 -1.332 348 HH21 ARG 44 2HH1 ARG 44 8.416 -12.026 -1.152 349 HH22 ARG 44 1HH1 ARG 44 9.899 -11.336 -1.721 350 H LEU 45 H LEU 45 4.767 -7.128 1.494 351 HA LEU 45 HA LEU 45 4.136 -6.813 4.314 352 HB2 LEU 45 1HB LEU 45 2.669 -6.942 1.842 353 HB3 LEU 45 2HB LEU 45 2.084 -8.177 2.939 354 HG LEU 45 HG LEU 45 2.098 -5.187 3.304 355 HD11 LEU 45 1HD1 LEU 45 0.203 -6.625 2.216 356 HD12 LEU 45 2HD1 LEU 45 -0.188 -7.032 3.904 357 HD13 LEU 45 3HD1 LEU 45 -0.199 -5.333 3.373 358 HD21 LEU 45 1HD2 LEU 45 1.041 -6.080 5.651 359 HD22 LEU 45 2HD2 LEU 45 2.366 -7.242 5.398 360 HD23 LEU 45 3HD2 LEU 45 2.710 -5.496 5.440 361 H PHE 46 H PHE 46 2.534 -9.075 4.749 362 HA PHE 46 HA PHE 46 4.557 -10.972 5.332 363 HB2 PHE 46 1HB PHE 46 1.610 -10.499 5.708 364 HB3 PHE 46 2HB PHE 46 2.068 -12.190 5.713 365 HD1 PHE 46 1HD PHE 46 2.487 -8.972 7.439 366 HD2 PHE 46 2HD PHE 46 3.308 -13.134 7.539 367 HE1 PHE 46 1HE PHE 46 3.177 -8.777 9.844 368 HE2 PHE 46 2HE PHE 46 3.999 -12.939 9.945 369 HZ PHE 46 HZ PHE 46 3.926 -10.763 11.068 370 H GLY 47 H GLY 47 5.447 -11.648 3.294 371 HA2 GLY 47 1HA GLY 47 5.634 -13.126 1.605 372 HA3 GLY 47 2HA GLY 47 4.167 -13.906 2.162 373 H GLU 48 H GLU 48 4.996 -10.641 0.773 374 HA GLU 48 HA GLU 48 2.718 -11.029 -1.003 375 HB2 GLU 48 1HB GLU 48 3.649 -8.766 0.594 376 HB3 GLU 48 2HB GLU 48 3.516 -8.311 -1.093 377 HG2 GLU 48 1HG GLU 48 1.179 -9.650 -0.886 378 HG3 GLU 48 2HG GLU 48 1.364 -9.230 0.805 379 H THR 49 H THR 49 3.021 -10.997 -3.227 380 HA THR 49 HA THR 49 5.782 -10.986 -4.120 381 HB THR 49 HB THR 49 4.053 -12.752 -4.758 382 HG1 THR 49 1HG THR 49 4.703 -12.442 -7.100 383 HG21 THR 49 1HG2 THR 49 2.468 -12.159 -6.565 384 HG22 THR 49 2HG2 THR 49 2.104 -11.184 -5.121 385 HG23 THR 49 3HG2 THR 49 2.985 -10.458 -6.486 386 H ASP 50 H ASP 50 6.460 -9.782 -6.058 387 HA ASP 50 HA ASP 50 6.381 -7.174 -5.763 388 HB2 ASP 50 1HB ASP 50 6.830 -9.002 -8.020 389 HB3 ASP 50 2HB ASP 50 6.229 -7.453 -8.577 390 H TYR 51 H TYR 51 3.974 -9.185 -7.572 391 HA TYR 51 HA TYR 51 2.452 -7.091 -8.613 392 HB2 TYR 51 1HB TYR 51 2.571 -9.846 -8.728 393 HB3 TYR 51 2HB TYR 51 1.226 -9.684 -7.617 394 HD1 TYR 51 2HD TYR 51 0.225 -7.010 -8.966 395 HD2 TYR 51 1HD TYR 51 1.227 -10.893 -10.459 396 HE1 TYR 51 2HE TYR 51 -1.351 -6.669 -10.932 397 HE2 TYR 51 1HE TYR 51 -0.352 -10.539 -12.419 398 HH TYR 51 HH TYR 51 -2.330 -7.605 -12.634 399 H ASP 52 H ASP 52 1.652 -9.232 -5.778 400 HA ASP 52 HA ASP 52 -0.509 -7.856 -4.942 401 HB2 ASP 52 1HB ASP 52 1.291 -9.839 -3.883 402 HB3 ASP 52 2HB ASP 52 1.015 -8.663 -2.614 403 H ALA 53 H ALA 53 2.991 -7.337 -4.164 404 HA ALA 53 HA ALA 53 2.657 -5.340 -2.255 405 HB1 ALA 53 1HB ALA 53 4.907 -5.840 -4.247 406 HB2 ALA 53 2HB ALA 53 5.024 -4.811 -2.799 407 HB3 ALA 53 3HB ALA 53 4.752 -6.561 -2.627 408 H PHE 54 H PHE 54 3.040 -5.180 -5.853 409 HA PHE 54 HA PHE 54 3.086 -2.416 -6.041 410 HB2 PHE 54 1HB PHE 54 3.640 -3.659 -8.000 411 HB3 PHE 54 2HB PHE 54 2.350 -4.817 -7.742 412 HD1 PHE 54 2HD PHE 54 2.763 -1.182 -8.509 413 HD2 PHE 54 1HD PHE 54 0.547 -4.739 -9.174 414 HE1 PHE 54 2HE PHE 54 1.351 0.015 -10.204 415 HE2 PHE 54 1HE PHE 54 -0.865 -3.542 -10.869 416 HZ PHE 54 HZ PHE 54 -0.446 -1.180 -11.364 417 H GLN 55 H GLN 55 0.327 -4.745 -5.994 418 HA GLN 55 HA GLN 55 -1.634 -2.946 -6.667 419 HB2 GLN 55 1HB GLN 55 -1.833 -5.349 -4.797 420 HB3 GLN 55 2HB GLN 55 -3.191 -4.559 -5.572 421 HG2 GLN 55 1HG GLN 55 -2.555 -5.290 -7.741 422 HG3 GLN 55 2HG GLN 55 -0.892 -5.575 -7.267 423 HE21 GLN 55 1HE2 GLN 55 -1.874 -7.544 -8.584 424 HE22 GLN 55 2HE2 GLN 55 -2.349 -8.897 -7.613 425 H ARG 56 H ARG 56 -0.560 -4.010 -3.356 426 HA ARG 56 HA ARG 56 -2.171 -2.641 -1.805 427 HB2 ARG 56 1HB ARG 56 0.113 -3.956 -1.337 428 HB3 ARG 56 2HB ARG 56 0.793 -2.344 -1.244 429 HG2 ARG 56 1HG ARG 56 -0.322 -1.827 0.717 430 HG3 ARG 56 2HG ARG 56 -1.748 -2.746 0.281 431 HD2 ARG 56 1HD ARG 56 0.900 -4.046 1.078 432 HD3 ARG 56 2HD ARG 56 -0.389 -3.714 2.218 433 HE ARG 56 HE ARG 56 -0.312 -5.886 0.313 434 HH11 ARG 56 2HH2 ARG 56 -2.532 -3.653 1.883 435 HH12 ARG 56 1HH2 ARG 56 -3.897 -4.710 1.741 436 HH21 ARG 56 2HH1 ARG 56 -2.112 -7.281 0.126 437 HH22 ARG 56 1HH1 ARG 56 -3.656 -6.788 0.735 438 H LEU 57 H LEU 57 0.948 -1.213 -3.052 439 HA LEU 57 HA LEU 57 0.422 1.368 -2.164 440 HB2 LEU 57 1HB LEU 57 2.631 0.654 -2.708 441 HB3 LEU 57 2HB LEU 57 2.179 0.282 -4.360 442 HG LEU 57 HG LEU 57 3.514 2.444 -3.854 443 HD11 LEU 57 1HD1 LEU 57 3.048 2.791 -5.992 444 HD12 LEU 57 2HD1 LEU 57 1.626 1.728 -5.862 445 HD13 LEU 57 3HD1 LEU 57 1.465 3.473 -5.549 446 HD21 LEU 57 1HD2 LEU 57 1.913 4.419 -3.549 447 HD22 LEU 57 2HD2 LEU 57 0.751 3.223 -2.926 448 HD23 LEU 57 3HD2 LEU 57 2.317 3.452 -2.110 449 H ARG 58 H ARG 58 -0.098 -0.152 -5.418 450 HA ARG 58 HA ARG 58 -1.020 1.965 -6.747 451 HB2 ARG 58 1HB ARG 58 -1.174 -0.889 -6.997 452 HB3 ARG 58 2HB ARG 58 -2.790 -0.284 -7.306 453 HG2 ARG 58 1HG ARG 58 -0.268 0.774 -8.669 454 HG3 ARG 58 2HG ARG 58 -1.346 -0.413 -9.376 455 HD2 ARG 58 1HD ARG 58 -3.062 1.141 -9.734 456 HD3 ARG 58 2HD ARG 58 -2.584 2.149 -8.382 457 HE ARG 58 HE ARG 58 -0.548 2.104 -10.464 458 HH11 ARG 58 2HH2 ARG 58 -3.603 3.574 -9.523 459 HH12 ARG 58 1HH2 ARG 58 -3.349 5.008 -10.461 460 HH21 ARG 58 2HH1 ARG 58 -0.212 3.996 -11.701 461 HH22 ARG 58 1HH1 ARG 58 -1.407 5.249 -11.708 462 H LYS 59 H LYS 59 -2.541 0.320 -4.032 463 HA LYS 59 HA LYS 59 -5.112 1.567 -4.570 464 HB2 LYS 59 1HB LYS 59 -4.418 -0.877 -3.522 465 HB3 LYS 59 2HB LYS 59 -4.752 0.046 -2.071 466 HG2 LYS 59 1HG LYS 59 -6.939 0.808 -3.204 467 HG3 LYS 59 2HG LYS 59 -6.615 -0.384 -4.447 468 HD2 LYS 59 1HD LYS 59 -6.423 -2.125 -2.549 469 HD3 LYS 59 2HD LYS 59 -7.059 -0.896 -1.474 470 HE2 LYS 59 1HE LYS 59 -9.152 -0.779 -2.665 471 HE3 LYS 59 2HE LYS 59 -8.507 -1.645 -4.045 472 HZ1 LYS 59 1HZ LYS 59 -8.709 -3.606 -2.993 473 HZ2 LYS 59 2HZ LYS 59 -8.412 -3.009 -1.502 474 HZ3 LYS 59 3HZ LYS 59 -9.887 -2.823 -2.177 475 H ILE 60 H ILE 60 -2.264 1.768 -2.419 476 HA ILE 60 HA ILE 60 -3.388 3.501 -0.538 477 HB ILE 60 HB ILE 60 -0.574 2.924 -1.430 478 HG12 ILE 60 1HG1 ILE 60 -2.231 2.161 0.987 479 HG13 ILE 60 2HG1 ILE 60 -1.639 1.102 -0.277 480 HG21 ILE 60 1HG2 ILE 60 -0.422 4.168 1.063 481 HG22 ILE 60 2HG2 ILE 60 0.119 4.821 -0.502 482 HG23 ILE 60 3HG2 ILE 60 -1.511 5.201 0.105 483 HD11 ILE 60 1HD1 ILE 60 -0.016 0.742 1.355 484 HD12 ILE 60 2HD1 ILE 60 0.741 2.079 0.457 485 HD13 ILE 60 3HD1 ILE 60 -0.124 2.407 1.977 486 H GLU 61 H GLU 61 -1.628 4.087 -3.638 487 HA GLU 61 HA GLU 61 -1.409 6.787 -3.448 488 HB2 GLU 61 1HB GLU 61 -1.930 5.038 -5.889 489 HB3 GLU 61 2HB GLU 61 -1.490 6.731 -6.000 490 HG2 GLU 61 1HG GLU 61 0.182 4.646 -4.521 491 HG3 GLU 61 2HG GLU 61 0.464 5.109 -6.188 492 H ILE 62 H ILE 62 -4.240 4.794 -4.417 493 HA ILE 62 HA ILE 62 -5.823 6.886 -5.364 494 HB ILE 62 HB ILE 62 -6.609 4.266 -4.084 495 HG12 ILE 62 1HG1 ILE 62 -6.422 4.849 -7.039 496 HG13 ILE 62 2HG1 ILE 62 -5.034 4.282 -6.133 497 HG21 ILE 62 1HG2 ILE 62 -8.733 4.840 -4.346 498 HG22 ILE 62 2HG2 ILE 62 -8.221 6.468 -4.853 499 HG23 ILE 62 3HG2 ILE 62 -8.454 5.189 -6.069 500 HD11 ILE 62 1HD1 ILE 62 -5.809 2.169 -6.362 501 HD12 ILE 62 2HD1 ILE 62 -7.196 2.609 -5.338 502 HD13 ILE 62 3HD1 ILE 62 -7.311 2.767 -7.107 503 H LEU 63 H LEU 63 -5.856 5.260 -2.109 504 HA LEU 63 HA LEU 63 -7.679 6.772 -0.853 505 HB2 LEU 63 1HB LEU 63 -5.066 5.638 0.115 506 HB3 LEU 63 2HB LEU 63 -6.165 6.465 1.201 507 HG LEU 63 HG LEU 63 -7.018 4.102 -0.483 508 HD11 LEU 63 1HD1 LEU 63 -6.209 3.900 2.414 509 HD12 LEU 63 2HD1 LEU 63 -6.486 2.600 1.230 510 HD13 LEU 63 3HD1 LEU 63 -5.048 3.639 1.091 511 HD21 LEU 63 1HD2 LEU 63 -8.203 5.420 1.974 512 HD22 LEU 63 2HD2 LEU 63 -8.859 5.436 0.320 513 HD23 LEU 63 3HD2 LEU 63 -8.794 3.912 1.236 514 H THR 64 H THR 64 -4.136 7.595 -0.741 515 HA THR 64 HA THR 64 -4.255 10.021 0.395 516 HB THR 64 HB THR 64 -2.580 8.911 -1.897 517 HG1 THR 64 1HG THR 64 -2.301 8.053 0.258 518 HG21 THR 64 1HG2 THR 64 -1.178 10.786 -1.902 519 HG22 THR 64 2HG2 THR 64 -2.741 11.601 -1.654 520 HG23 THR 64 3HG2 THR 64 -1.673 11.281 -0.266 521 HA PRO 65 HA PRO 65 -6.542 12.663 -2.099 522 HB2 PRO 65 1HB PRO 65 -5.697 15.086 -1.160 523 HB3 PRO 65 2HB PRO 65 -6.900 14.109 -0.344 524 HG2 PRO 65 1HG PRO 65 -4.065 14.541 0.374 525 HG3 PRO 65 2HG PRO 65 -5.370 13.936 1.374 526 HD2 PRO 65 1HD PRO 65 -3.281 12.391 0.160 527 HD3 PRO 65 2HD PRO 65 -4.651 11.775 1.063 528 H GLU 66 H GLU 66 -3.172 13.681 -1.807 529 HA GLU 66 HA GLU 66 -2.938 15.245 -3.920 530 HB2 GLU 66 1HB GLU 66 -1.183 13.756 -2.312 531 HB3 GLU 66 2HB GLU 66 -0.774 13.250 -3.939 532 HG2 GLU 66 1HG GLU 66 -0.707 15.752 -4.567 533 HG3 GLU 66 2HG GLU 66 -0.817 16.099 -2.852 534 H VAL 67 H VAL 67 -3.484 15.150 -6.053 535 HA VAL 67 HA VAL 67 -4.300 12.673 -7.189 536 HB VAL 67 HB VAL 67 -4.508 14.147 -9.252 537 HG11 VAL 67 1HG1 VAL 67 -6.605 14.177 -8.493 538 HG12 VAL 67 2HG1 VAL 67 -6.044 14.060 -6.808 539 HG13 VAL 67 3HG1 VAL 67 -6.213 15.654 -7.581 540 HG21 VAL 67 1HG2 VAL 67 -2.820 15.837 -7.886 541 HG22 VAL 67 2HG2 VAL 67 -3.838 16.294 -9.273 542 HG23 VAL 67 3HG2 VAL 67 -4.410 16.590 -7.614 543 H ASN 68 H ASN 68 -2.380 11.349 -6.979 544 HA ASN 68 HA ASN 68 0.070 12.114 -7.984 545 HB2 ASN 68 1HB ASN 68 0.663 9.755 -7.815 546 HB3 ASN 68 2HB ASN 68 -0.430 10.106 -6.491 547 HD21 ASN 68 1HD2 ASN 68 -2.567 9.400 -6.549 548 HD22 ASN 68 2HD2 ASN 68 -3.105 8.122 -7.587 549 H LYS 69 H LYS 69 1.103 11.606 -10.058 550 HA LYS 69 HA LYS 69 -0.776 11.517 -12.239 551 HB2 LYS 69 1HB LYS 69 1.974 12.394 -11.794 552 HB3 LYS 69 2HB LYS 69 1.811 11.481 -13.280 553 HG2 LYS 69 1HG LYS 69 -0.419 13.376 -12.884 554 HG3 LYS 69 2HG LYS 69 1.137 14.181 -12.918 555 HD2 LYS 69 1HD LYS 69 0.744 14.123 -15.197 556 HD3 LYS 69 2HD LYS 69 1.531 12.565 -15.038 557 HE2 LYS 69 1HE LYS 69 -0.338 11.641 -15.944 558 HE3 LYS 69 2HE LYS 69 -1.152 11.990 -14.432 559 HZ1 LYS 69 1HZ LYS 69 -1.732 14.153 -15.326 560 HZ2 LYS 69 2HZ LYS 69 -0.999 13.800 -16.742 561 HZ3 LYS 69 3HZ LYS 69 -2.314 12.955 -16.271 562 H GLY 70 H GLY 70 0.120 10.075 -14.229 563 HA2 GLY 70 1HA GLY 70 0.944 8.001 -14.906 564 HA3 GLY 70 2HA GLY 70 0.946 7.439 -13.246 565 H SER 71 H SER 71 -0.870 7.694 -16.217 566 HA SER 71 HA SER 71 -2.868 5.992 -15.060 567 HB2 SER 71 1HB SER 71 -3.539 8.564 -14.937 568 HB3 SER 71 2HB SER 71 -3.889 8.356 -16.641 569 HG SER 71 HG SER 71 -5.058 6.268 -15.601 570 H GLY 72 H GLY 72 -4.243 4.965 -16.807 571 HA2 GLY 72 1HA GLY 72 -2.890 5.079 -19.437 572 HA3 GLY 72 2HA GLY 72 -3.370 3.577 -18.672 573 HA PRO 73 HA PRO 73 -7.201 5.943 -20.240 574 HB2 PRO 73 1HB PRO 73 -6.797 7.579 -22.391 575 HB3 PRO 73 2HB PRO 73 -6.903 8.170 -20.745 576 HG2 PRO 73 1HG PRO 73 -4.509 7.853 -22.448 577 HG3 PRO 73 2HG PRO 73 -4.703 8.815 -20.996 578 HD2 PRO 73 1HD PRO 73 -3.362 6.289 -21.215 579 HD3 PRO 73 2HD PRO 73 -3.658 7.194 -19.744 580 H SER 74 H SER 74 -7.009 3.541 -20.634 581 HA SER 74 HA SER 74 -7.243 3.226 -23.524 582 HB2 SER 74 1HB SER 74 -6.308 0.948 -23.287 583 HB3 SER 74 2HB SER 74 -5.170 2.159 -22.729 584 HG SER 74 HG SER 74 -6.859 1.267 -20.693 585 H SER 75 H SER 75 -8.902 1.733 -24.251 586 HA SER 75 HA SER 75 -10.961 1.411 -22.249 587 HB2 SER 75 1HB SER 75 -10.985 2.189 -24.947 588 HB3 SER 75 2HB SER 75 -11.626 0.559 -24.988 589 HG SER 75 HG SER 75 -12.627 2.317 -22.977 590 H GLY 76 H GLY 76 -9.438 -0.507 -24.949 591 HA2 GLY 76 1HA GLY 76 -8.682 -2.668 -24.860 592 HA3 GLY 76 2HA GLY 76 -9.346 -2.857 -23.250 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -10.986 51.155 -19.623 2 HA2 GLY 1 1HA GLY 1 -11.199 49.657 -17.581 3 HA3 GLY 1 2HA GLY 1 -12.575 50.667 -17.183 4 H SER 2 H SER 2 -11.824 47.735 -18.452 5 HA SER 2 HA SER 2 -14.359 47.353 -19.504 6 HB2 SER 2 1HB SER 2 -13.508 48.634 -21.442 7 HB3 SER 2 2HB SER 2 -12.138 47.551 -21.586 8 HG SER 2 HG SER 2 -14.906 47.054 -22.158 9 H SER 3 H SER 3 -14.788 45.140 -19.410 10 HA SER 3 HA SER 3 -12.944 43.190 -20.036 11 HB2 SER 3 1HB SER 3 -11.927 44.151 -17.847 12 HB3 SER 3 2HB SER 3 -13.285 43.410 -17.023 13 HG SER 3 HG SER 3 -11.943 41.718 -16.971 14 H GLY 4 H GLY 4 -13.778 40.936 -19.210 15 HA2 GLY 4 1HA GLY 4 -15.938 40.206 -17.948 16 HA3 GLY 4 2HA GLY 4 -16.709 41.040 -19.283 17 H SER 5 H SER 5 -15.607 38.043 -18.212 18 HA SER 5 HA SER 5 -16.192 36.824 -20.636 19 HB2 SER 5 1HB SER 5 -14.076 37.508 -21.504 20 HB3 SER 5 2HB SER 5 -13.249 37.184 -19.993 21 HG SER 5 HG SER 5 -13.373 35.556 -22.049 22 H SER 6 H SER 6 -17.112 34.939 -19.921 23 HA SER 6 HA SER 6 -15.734 33.137 -18.338 24 HB2 SER 6 1HB SER 6 -16.356 34.967 -16.610 25 HB3 SER 6 2HB SER 6 -18.016 34.439 -16.805 26 HG SER 6 HG SER 6 -15.936 32.539 -16.209 27 H GLY 7 H GLY 7 -17.343 31.294 -17.583 28 HA2 GLY 7 1HA GLY 7 -19.700 30.579 -17.934 29 HA3 GLY 7 2HA GLY 7 -19.517 31.138 -19.584 30 H THR 8 H THR 8 -18.380 28.741 -17.168 31 HA THR 8 HA THR 8 -18.147 26.744 -19.179 32 HB THR 8 HB THR 8 -16.029 27.651 -19.766 33 HG1 THR 8 1HG THR 8 -15.477 26.026 -17.394 34 HG21 THR 8 1HG2 THR 8 -14.359 28.119 -17.760 35 HG22 THR 8 2HG2 THR 8 -15.533 29.378 -18.212 36 HG23 THR 8 3HG2 THR 8 -15.849 28.330 -16.809 37 H SER 9 H SER 9 -19.252 25.209 -18.127 38 HA SER 9 HA SER 9 -18.093 24.036 -15.878 39 HB2 SER 9 1HB SER 9 -19.196 26.109 -14.847 40 HB3 SER 9 2HB SER 9 -20.744 25.423 -15.299 41 HG SER 9 HG SER 9 -19.790 23.414 -14.074 42 H SER 10 H SER 10 -18.400 21.979 -16.686 43 HA SER 10 HA SER 10 -20.921 20.856 -16.645 44 HB2 SER 10 1HB SER 10 -21.309 20.408 -19.047 45 HB3 SER 10 2HB SER 10 -21.339 22.128 -18.713 46 HG SER 10 HG SER 10 -18.777 21.218 -19.341 47 H ASN 11 H ASN 11 -20.524 18.708 -16.211 48 HA ASN 11 HA ASN 11 -18.527 17.319 -17.657 49 HB2 ASN 11 1HB ASN 11 -16.995 18.292 -16.038 50 HB3 ASN 11 2HB ASN 11 -18.100 18.000 -14.710 51 HD21 ASN 11 1HD2 ASN 11 -17.547 16.410 -13.450 52 HD22 ASN 11 2HD2 ASN 11 -16.721 14.952 -13.886 53 HA PRO 12 HA PRO 12 -21.904 14.769 -16.109 54 HB2 PRO 12 1HB PRO 12 -22.178 13.207 -18.335 55 HB3 PRO 12 2HB PRO 12 -23.062 14.701 -18.098 56 HG2 PRO 12 1HG PRO 12 -20.750 14.175 -19.863 57 HG3 PRO 12 2HG PRO 12 -21.895 15.501 -19.920 58 HD2 PRO 12 1HD PRO 12 -19.210 15.594 -18.915 59 HD3 PRO 12 2HD PRO 12 -20.393 16.886 -18.866 60 H VAL 13 H VAL 13 -20.320 12.613 -18.317 61 HA VAL 13 HA VAL 13 -19.471 10.593 -17.892 62 HB VAL 13 HB VAL 13 -17.816 12.412 -16.140 63 HG11 VAL 13 1HG1 VAL 13 -17.685 9.944 -15.508 64 HG12 VAL 13 2HG1 VAL 13 -16.967 9.674 -17.115 65 HG13 VAL 13 3HG1 VAL 13 -16.151 10.736 -15.943 66 HG21 VAL 13 1HG2 VAL 13 -17.625 13.111 -18.382 67 HG22 VAL 13 2HG2 VAL 13 -16.198 12.085 -18.105 68 HG23 VAL 13 3HG2 VAL 13 -17.598 11.439 -18.994 69 H LEU 14 H LEU 14 -21.230 9.457 -16.990 70 HA LEU 14 HA LEU 14 -20.817 8.457 -14.424 71 HB2 LEU 14 1HB LEU 14 -21.513 10.542 -13.542 72 HB3 LEU 14 2HB LEU 14 -22.879 10.642 -14.636 73 HG LEU 14 HG LEU 14 -23.020 8.246 -12.986 74 HD11 LEU 14 1HD1 LEU 14 -21.770 10.166 -11.582 75 HD12 LEU 14 2HD1 LEU 14 -23.461 10.649 -11.302 76 HD13 LEU 14 3HD1 LEU 14 -22.918 9.012 -10.861 77 HD21 LEU 14 1HD2 LEU 14 -24.747 10.009 -14.287 78 HD22 LEU 14 2HD2 LEU 14 -25.193 8.616 -13.272 79 HD23 LEU 14 3HD2 LEU 14 -25.082 10.241 -12.554 80 H GLU 15 H GLU 15 -20.940 6.868 -16.361 81 HA GLU 15 HA GLU 15 -23.379 5.524 -16.099 82 HB2 GLU 15 1HB GLU 15 -23.378 7.492 -18.140 83 HB3 GLU 15 2HB GLU 15 -23.169 5.968 -18.978 84 HG2 GLU 15 1HG GLU 15 -25.140 5.056 -17.615 85 HG3 GLU 15 2HG GLU 15 -25.401 6.685 -17.024 86 H LEU 16 H LEU 16 -23.348 3.419 -17.352 87 HA LEU 16 HA LEU 16 -22.320 1.583 -18.015 88 HB2 LEU 16 1HB LEU 16 -21.485 3.508 -19.750 89 HB3 LEU 16 2HB LEU 16 -19.949 2.899 -19.167 90 HG LEU 16 HG LEU 16 -22.089 1.039 -20.203 91 HD11 LEU 16 1HD1 LEU 16 -20.779 3.033 -21.732 92 HD12 LEU 16 2HD1 LEU 16 -20.047 1.469 -22.165 93 HD13 LEU 16 3HD1 LEU 16 -21.807 1.696 -22.300 94 HD21 LEU 16 1HD2 LEU 16 -20.401 -0.566 -20.378 95 HD22 LEU 16 2HD2 LEU 16 -19.102 0.648 -20.284 96 HD23 LEU 16 3HD2 LEU 16 -20.058 0.255 -18.835 97 H GLU 17 H GLU 17 -21.309 0.125 -16.734 98 HA GLU 17 HA GLU 17 -18.957 1.078 -15.312 99 HB2 GLU 17 1HB GLU 17 -19.971 -0.567 -13.427 100 HB3 GLU 17 2HB GLU 17 -20.333 1.147 -13.475 101 HG2 GLU 17 1HG GLU 17 -22.065 -0.753 -15.071 102 HG3 GLU 17 2HG GLU 17 -22.295 -0.656 -13.336 103 H LEU 18 H LEU 18 -17.256 -0.398 -15.227 104 HA LEU 18 HA LEU 18 -17.795 -3.178 -15.779 105 HB2 LEU 18 1HB LEU 18 -17.368 -1.589 -17.944 106 HB3 LEU 18 2HB LEU 18 -15.726 -2.062 -17.558 107 HG LEU 18 HG LEU 18 -16.643 -4.487 -17.524 108 HD11 LEU 18 1HD1 LEU 18 -18.578 -4.383 -19.440 109 HD12 LEU 18 2HD1 LEU 18 -18.878 -4.583 -17.697 110 HD13 LEU 18 3HD1 LEU 18 -18.997 -2.970 -18.442 111 HD21 LEU 18 1HD2 LEU 18 -15.406 -4.551 -19.360 112 HD22 LEU 18 2HD2 LEU 18 -16.784 -3.940 -20.306 113 HD23 LEU 18 3HD2 LEU 18 -15.619 -2.799 -19.592 114 H ALA 19 H ALA 19 -15.886 -4.538 -15.339 115 HA ALA 19 HA ALA 19 -13.627 -3.209 -14.131 116 HB1 ALA 19 1HB ALA 19 -15.597 -4.891 -12.537 117 HB2 ALA 19 2HB ALA 19 -13.944 -4.523 -11.988 118 HB3 ALA 19 3HB ALA 19 -15.113 -3.204 -12.235 119 H GLU 20 H GLU 20 -12.457 -5.409 -12.883 120 HA GLU 20 HA GLU 20 -11.484 -7.338 -13.204 121 HB2 GLU 20 1HB GLU 20 -13.932 -7.914 -14.232 122 HB3 GLU 20 2HB GLU 20 -12.976 -8.109 -15.687 123 HG2 GLU 20 1HG GLU 20 -11.550 -9.380 -13.522 124 HG3 GLU 20 2HG GLU 20 -13.217 -9.917 -13.451 125 H GLU 21 H GLU 21 -10.164 -8.605 -15.072 126 HA GLU 21 HA GLU 21 -8.332 -8.311 -16.260 127 HB2 GLU 21 1HB GLU 21 -10.485 -8.427 -17.853 128 HB3 GLU 21 2HB GLU 21 -9.952 -6.825 -18.322 129 HG2 GLU 21 1HG GLU 21 -7.651 -7.775 -18.790 130 HG3 GLU 21 2HG GLU 21 -8.270 -9.374 -18.423 131 H LYS 22 H LYS 22 -8.675 -6.168 -14.326 132 HA LYS 22 HA LYS 22 -8.460 -3.625 -15.239 133 HB2 LYS 22 1HB LYS 22 -8.157 -4.921 -12.822 134 HB3 LYS 22 2HB LYS 22 -6.558 -4.256 -13.087 135 HG2 LYS 22 1HG LYS 22 -7.340 -2.239 -12.409 136 HG3 LYS 22 2HG LYS 22 -8.328 -2.181 -13.855 137 HD2 LYS 22 1HD LYS 22 -9.920 -1.932 -12.127 138 HD3 LYS 22 2HD LYS 22 -10.041 -3.635 -12.521 139 HE2 LYS 22 1HE LYS 22 -8.025 -3.660 -10.616 140 HE3 LYS 22 2HE LYS 22 -9.021 -2.336 -10.045 141 HZ1 LYS 22 1HZ LYS 22 -10.361 -3.869 -9.244 142 HZ2 LYS 22 2HZ LYS 22 -10.760 -4.318 -10.762 143 HZ3 LYS 22 3HZ LYS 22 -9.556 -5.088 -9.973 144 H LEU 23 H LEU 23 -6.440 -2.206 -15.374 145 HA LEU 23 HA LEU 23 -4.888 -3.072 -17.504 146 HB2 LEU 23 1HB LEU 23 -5.341 -0.713 -16.086 147 HB3 LEU 23 2HB LEU 23 -3.625 -1.011 -15.895 148 HG LEU 23 HG LEU 23 -4.103 -1.461 -18.617 149 HD11 LEU 23 1HD1 LEU 23 -5.253 0.525 -19.411 150 HD12 LEU 23 2HD1 LEU 23 -6.327 -0.434 -18.364 151 HD13 LEU 23 3HD1 LEU 23 -5.562 1.046 -17.737 152 HD21 LEU 23 1HD2 LEU 23 -3.162 1.226 -17.753 153 HD22 LEU 23 2HD2 LEU 23 -2.265 -0.190 -17.154 154 HD23 LEU 23 3HD2 LEU 23 -2.452 0.069 -18.905 155 HA PRO 24 HA PRO 24 -1.671 -5.289 -15.674 156 HB2 PRO 24 1HB PRO 24 0.458 -4.744 -17.298 157 HB3 PRO 24 2HB PRO 24 -0.797 -5.893 -17.716 158 HG2 PRO 24 1HG PRO 24 -0.360 -3.162 -18.762 159 HG3 PRO 24 2HG PRO 24 -1.316 -4.461 -19.448 160 HD2 PRO 24 1HD PRO 24 -2.301 -2.160 -18.046 161 HD3 PRO 24 2HD PRO 24 -3.246 -3.515 -18.630 162 H MET 25 H MET 25 0.894 -5.115 -15.113 163 HA MET 25 HA MET 25 0.877 -3.342 -12.993 164 HB2 MET 25 1HB MET 25 2.684 -5.285 -14.260 165 HB3 MET 25 2HB MET 25 3.595 -3.896 -13.702 166 HG2 MET 25 1HG MET 25 2.158 -4.208 -11.477 167 HG3 MET 25 2HG MET 25 1.923 -5.835 -12.084 168 HE1 MET 25 1HE MET 25 4.943 -7.643 -11.108 169 HE2 MET 25 2HE MET 25 3.329 -7.325 -10.429 170 HE3 MET 25 3HE MET 25 3.519 -7.610 -12.176 171 H THR 26 H THR 26 1.895 -1.312 -12.625 172 HA THR 26 HA THR 26 2.934 0.005 -15.044 173 HB THR 26 HB THR 26 1.693 2.044 -14.286 174 HG1 THR 26 1HG THR 26 0.564 0.111 -12.393 175 HG21 THR 26 1HG2 THR 26 0.360 0.673 -15.800 176 HG22 THR 26 2HG2 THR 26 0.023 -0.509 -14.514 177 HG23 THR 26 3HG2 THR 26 -0.698 1.117 -14.440 178 H LEU 27 H LEU 27 2.851 -0.165 -11.450 179 HA LEU 27 HA LEU 27 5.371 1.324 -11.446 180 HB2 LEU 27 1HB LEU 27 3.605 0.646 -9.097 181 HB3 LEU 27 2HB LEU 27 4.951 1.767 -9.136 182 HG LEU 27 HG LEU 27 2.502 2.195 -10.847 183 HD11 LEU 27 1HD1 LEU 27 1.616 1.990 -8.633 184 HD12 LEU 27 2HD1 LEU 27 2.904 3.020 -7.962 185 HD13 LEU 27 3HD1 LEU 27 1.678 3.721 -9.046 186 HD21 LEU 27 1HD2 LEU 27 4.127 3.641 -11.602 187 HD22 LEU 27 2HD2 LEU 27 3.312 4.638 -10.373 188 HD23 LEU 27 3HD2 LEU 27 4.858 3.842 -9.991 189 H SER 28 H SER 28 7.282 0.359 -10.885 190 HA SER 28 HA SER 28 7.161 -2.492 -10.599 191 HB2 SER 28 1HB SER 28 8.840 -0.970 -12.014 192 HB3 SER 28 2HB SER 28 9.734 -0.918 -10.507 193 HG SER 28 HG SER 28 8.826 -3.430 -11.582 194 H ARG 29 H ARG 29 8.762 -3.517 -8.920 195 HA ARG 29 HA ARG 29 7.911 -3.172 -6.464 196 HB2 ARG 29 1HB ARG 29 10.290 -3.945 -5.715 197 HB3 ARG 29 2HB ARG 29 9.420 -4.974 -6.836 198 HG2 ARG 29 1HG ARG 29 11.293 -4.851 -8.132 199 HG3 ARG 29 2HG ARG 29 10.715 -3.259 -8.581 200 HD2 ARG 29 1HD ARG 29 12.598 -2.375 -7.669 201 HD3 ARG 29 2HD ARG 29 12.022 -2.874 -6.091 202 HE ARG 29 HE ARG 29 13.286 -5.062 -7.557 203 HH11 ARG 29 2HH2 ARG 29 13.896 -2.283 -5.485 204 HH12 ARG 29 1HH2 ARG 29 15.409 -2.890 -4.900 205 HH21 ARG 29 2HH1 ARG 29 15.282 -5.863 -6.786 206 HH22 ARG 29 1HH1 ARG 29 16.203 -4.940 -5.645 207 H GLN 30 H GLN 30 10.862 -1.502 -7.797 208 HA GLN 30 HA GLN 30 11.329 0.000 -5.519 209 HB2 GLN 30 1HB GLN 30 12.519 -0.361 -8.053 210 HB3 GLN 30 2HB GLN 30 12.151 1.352 -7.987 211 HG2 GLN 30 1HG GLN 30 13.291 1.479 -5.739 212 HG3 GLN 30 2HG GLN 30 13.711 -0.216 -5.878 213 HE21 GLN 30 1HE2 GLN 30 14.590 2.954 -6.559 214 HE22 GLN 30 2HE2 GLN 30 15.923 2.679 -7.630 215 H GLU 31 H GLU 31 9.572 0.798 -8.591 216 HA GLU 31 HA GLU 31 8.993 3.398 -7.974 217 HB2 GLU 31 1HB GLU 31 8.537 1.825 -10.111 218 HB3 GLU 31 2HB GLU 31 6.929 1.754 -9.419 219 HG2 GLU 31 1HG GLU 31 7.155 3.629 -11.050 220 HG3 GLU 31 2HG GLU 31 6.745 4.206 -9.447 221 H VAL 32 H VAL 32 7.593 0.381 -6.761 222 HA VAL 32 HA VAL 32 5.323 1.766 -5.611 223 HB VAL 32 HB VAL 32 6.253 -1.102 -5.691 224 HG11 VAL 32 1HG1 VAL 32 3.569 -0.865 -4.698 225 HG12 VAL 32 2HG1 VAL 32 4.983 -1.635 -3.940 226 HG13 VAL 32 3HG1 VAL 32 4.657 0.094 -3.667 227 HG21 VAL 32 1HG2 VAL 32 3.589 -0.175 -6.678 228 HG22 VAL 32 2HG2 VAL 32 5.027 0.256 -7.634 229 HG23 VAL 32 3HG2 VAL 32 4.661 -1.453 -7.298 230 H ILE 33 H ILE 33 8.499 0.396 -4.708 231 HA ILE 33 HA ILE 33 8.086 0.509 -1.929 232 HB ILE 33 HB ILE 33 10.451 0.299 -3.749 233 HG12 ILE 33 1HG1 ILE 33 9.464 -1.518 -1.535 234 HG13 ILE 33 2HG1 ILE 33 8.940 -1.648 -3.202 235 HG21 ILE 33 1HG2 ILE 33 11.523 -0.107 -1.248 236 HG22 ILE 33 2HG2 ILE 33 11.754 1.338 -2.262 237 HG23 ILE 33 3HG2 ILE 33 10.493 1.325 -1.005 238 HD11 ILE 33 1HD1 ILE 33 11.133 -2.942 -2.170 239 HD12 ILE 33 2HD1 ILE 33 10.924 -2.562 -3.896 240 HD13 ILE 33 3HD1 ILE 33 11.892 -1.488 -2.859 241 H ARG 34 H ARG 34 9.366 2.845 -4.355 242 HA ARG 34 HA ARG 34 10.373 4.713 -2.725 243 HB2 ARG 34 1HB ARG 34 9.520 4.567 -5.430 244 HB3 ARG 34 2HB ARG 34 8.702 5.977 -4.787 245 HG2 ARG 34 1HG ARG 34 10.666 7.154 -4.473 246 HG3 ARG 34 2HG ARG 34 11.578 5.729 -4.017 247 HD2 ARG 34 1HD ARG 34 12.285 5.348 -6.162 248 HD3 ARG 34 2HD ARG 34 10.694 5.639 -6.838 249 HE ARG 34 HE ARG 34 11.331 7.838 -7.295 250 HH11 ARG 34 2HH2 ARG 34 13.464 6.534 -4.818 251 HH12 ARG 34 1HH2 ARG 34 14.503 7.920 -4.802 252 HH21 ARG 34 2HH1 ARG 34 12.701 9.667 -7.274 253 HH22 ARG 34 1HH1 ARG 34 14.066 9.714 -6.208 254 H ARG 35 H ARG 35 6.991 4.946 -4.072 255 HA ARG 35 HA ARG 35 6.138 6.925 -2.460 256 HB2 ARG 35 1HB ARG 35 4.659 4.549 -3.669 257 HB3 ARG 35 2HB ARG 35 3.797 5.795 -2.789 258 HG2 ARG 35 1HG ARG 35 3.914 7.238 -4.541 259 HG3 ARG 35 2HG ARG 35 5.645 7.012 -4.700 260 HD2 ARG 35 1HD ARG 35 5.306 4.964 -6.036 261 HD3 ARG 35 2HD ARG 35 3.575 5.036 -5.775 262 HE ARG 35 HE ARG 35 5.145 6.718 -7.613 263 HH11 ARG 35 2HH2 ARG 35 2.085 6.301 -5.925 264 HH12 ARG 35 1HH2 ARG 35 1.201 7.320 -7.012 265 HH21 ARG 35 2HH1 ARG 35 3.979 8.063 -9.046 266 HH22 ARG 35 1HH1 ARG 35 2.285 8.329 -8.799 267 H LEU 36 H LEU 36 5.496 3.370 -1.934 268 HA LEU 36 HA LEU 36 4.272 3.424 0.443 269 HB2 LEU 36 1HB LEU 36 6.399 1.537 -0.562 270 HB3 LEU 36 2HB LEU 36 5.489 1.250 0.908 271 HG LEU 36 HG LEU 36 4.214 1.609 -1.816 272 HD11 LEU 36 1HD1 LEU 36 4.839 -0.974 -0.357 273 HD12 LEU 36 2HD1 LEU 36 3.954 -0.811 -1.894 274 HD13 LEU 36 3HD1 LEU 36 5.675 -0.364 -1.806 275 HD21 LEU 36 1HD2 LEU 36 2.249 0.562 -0.716 276 HD22 LEU 36 2HD2 LEU 36 3.113 0.650 0.838 277 HD23 LEU 36 3HD2 LEU 36 2.690 2.145 -0.031 278 H ARG 37 H ARG 37 7.880 3.462 0.012 279 HA ARG 37 HA ARG 37 8.538 3.595 2.624 280 HB2 ARG 37 1HB ARG 37 9.784 4.401 0.052 281 HB3 ARG 37 2HB ARG 37 10.406 5.298 1.423 282 HG2 ARG 37 1HG ARG 37 10.440 2.797 2.503 283 HG3 ARG 37 2HG ARG 37 10.617 2.366 0.814 284 HD2 ARG 37 1HD ARG 37 12.694 3.436 0.604 285 HD3 ARG 37 2HD ARG 37 12.346 4.603 1.864 286 HE ARG 37 HE ARG 37 12.488 1.868 2.884 287 HH11 ARG 37 2HH2 ARG 37 14.389 4.701 2.023 288 HH12 ARG 37 1HH2 ARG 37 15.713 4.286 3.060 289 HH21 ARG 37 2HH1 ARG 37 14.234 1.320 4.253 290 HH22 ARG 37 1HH1 ARG 37 15.624 2.350 4.337 291 H GLU 38 H GLU 38 7.609 6.278 0.387 292 HA GLU 38 HA GLU 38 8.071 8.273 2.325 293 HB2 GLU 38 1HB GLU 38 6.672 8.211 -0.368 294 HB3 GLU 38 2HB GLU 38 6.650 9.657 0.622 295 HG2 GLU 38 1HG GLU 38 9.175 9.591 0.713 296 HG3 GLU 38 2HG GLU 38 9.153 8.205 -0.360 297 H ARG 39 H ARG 39 5.535 5.978 1.740 298 HA ARG 39 HA ARG 39 3.594 7.640 3.076 299 HB2 ARG 39 1HB ARG 39 3.367 4.846 1.849 300 HB3 ARG 39 2HB ARG 39 2.024 5.716 2.564 301 HG2 ARG 39 1HG ARG 39 3.386 7.445 0.657 302 HG3 ARG 39 2HG ARG 39 3.008 5.917 -0.114 303 HD2 ARG 39 1HD ARG 39 0.710 6.231 0.054 304 HD3 ARG 39 2HD ARG 39 0.827 7.112 1.565 305 HE ARG 39 HE ARG 39 0.809 8.263 -1.085 306 HH11 ARG 39 2HH2 ARG 39 2.207 8.701 2.115 307 HH12 ARG 39 1HH2 ARG 39 2.426 10.408 1.925 308 HH21 ARG 39 2HH1 ARG 39 1.097 10.516 -1.335 309 HH22 ARG 39 1HH1 ARG 39 1.790 11.448 -0.050 310 H GLY 40 H GLY 40 6.155 5.894 4.076 311 HA2 GLY 40 1HA GLY 40 6.730 4.965 6.043 312 HA3 GLY 40 2HA GLY 40 5.187 5.479 6.697 313 H GLU 41 H GLU 41 4.754 3.650 3.814 314 HA GLU 41 HA GLU 41 3.665 1.515 5.349 315 HB2 GLU 41 1HB GLU 41 3.935 1.730 2.320 316 HB3 GLU 41 2HB GLU 41 2.848 0.674 3.201 317 HG2 GLU 41 1HG GLU 41 2.645 3.597 3.840 318 HG3 GLU 41 2HG GLU 41 2.111 3.122 2.240 319 HA PRO 42 HA PRO 42 6.985 -1.251 4.972 320 HB2 PRO 42 1HB PRO 42 5.748 -3.688 4.939 321 HB3 PRO 42 2HB PRO 42 6.011 -2.766 6.406 322 HG2 PRO 42 1HG PRO 42 3.504 -3.161 4.891 323 HG3 PRO 42 2HG PRO 42 3.713 -2.622 6.545 324 HD2 PRO 42 1HD PRO 42 3.080 -0.988 4.273 325 HD3 PRO 42 2HD PRO 42 3.403 -0.435 5.904 326 H ILE 43 H ILE 43 8.395 -1.459 3.364 327 HA ILE 43 HA ILE 43 7.576 -1.468 0.738 328 HB ILE 43 HB ILE 43 9.897 -2.253 0.269 329 HG12 ILE 43 1HG1 ILE 43 10.418 -2.103 3.231 330 HG13 ILE 43 2HG1 ILE 43 9.927 -3.614 2.494 331 HG21 ILE 43 1HG2 ILE 43 10.935 -0.218 0.976 332 HG22 ILE 43 2HG2 ILE 43 9.232 0.137 0.597 333 HG23 ILE 43 3HG2 ILE 43 9.755 -0.005 2.292 334 HD11 ILE 43 1HD1 ILE 43 11.964 -2.456 0.818 335 HD12 ILE 43 2HD1 ILE 43 12.536 -2.413 2.503 336 HD13 ILE 43 3HD1 ILE 43 12.041 -3.958 1.771 337 H ARG 44 H ARG 44 7.721 -4.086 3.089 338 HA ARG 44 HA ARG 44 6.696 -5.813 1.007 339 HB2 ARG 44 1HB ARG 44 9.138 -6.341 1.326 340 HB3 ARG 44 2HB ARG 44 8.841 -6.648 3.026 341 HG2 ARG 44 1HG ARG 44 8.868 -8.778 1.800 342 HG3 ARG 44 2HG ARG 44 7.258 -8.485 2.428 343 HD2 ARG 44 1HD ARG 44 6.391 -8.579 0.332 344 HD3 ARG 44 2HD ARG 44 7.416 -7.252 -0.179 345 HE ARG 44 HE ARG 44 8.825 -9.821 -0.029 346 HH11 ARG 44 2HH2 ARG 44 6.888 -7.701 -2.063 347 HH12 ARG 44 1HH2 ARG 44 7.461 -8.389 -3.546 348 HH21 ARG 44 2HH1 ARG 44 9.581 -10.729 -1.985 349 HH22 ARG 44 1HH1 ARG 44 9.002 -10.123 -3.501 350 H LEU 45 H LEU 45 4.994 -7.154 1.733 351 HA LEU 45 HA LEU 45 4.279 -6.782 4.549 352 HB2 LEU 45 1HB LEU 45 2.804 -6.815 2.032 353 HB3 LEU 45 2HB LEU 45 2.106 -7.885 3.232 354 HG LEU 45 HG LEU 45 2.529 -4.901 3.417 355 HD11 LEU 45 1HD1 LEU 45 0.208 -4.717 3.499 356 HD12 LEU 45 2HD1 LEU 45 0.484 -5.991 2.288 357 HD13 LEU 45 3HD1 LEU 45 -0.014 -6.427 3.940 358 HD21 LEU 45 1HD2 LEU 45 2.567 -6.842 5.582 359 HD22 LEU 45 2HD2 LEU 45 2.915 -5.096 5.599 360 HD23 LEU 45 3HD2 LEU 45 1.237 -5.671 5.756 361 H PHE 46 H PHE 46 2.582 -8.916 4.966 362 HA PHE 46 HA PHE 46 4.475 -11.004 5.324 363 HB2 PHE 46 1HB PHE 46 2.157 -10.099 6.535 364 HB3 PHE 46 2HB PHE 46 1.489 -11.411 5.583 365 HD1 PHE 46 1HD PHE 46 2.742 -13.713 5.817 366 HD2 PHE 46 2HD PHE 46 2.988 -10.560 8.645 367 HE1 PHE 46 1HE PHE 46 3.442 -15.353 7.583 368 HE2 PHE 46 2HE PHE 46 3.688 -12.199 10.412 369 HZ PHE 46 HZ PHE 46 3.907 -14.576 9.860 370 H GLY 47 H GLY 47 5.157 -11.962 3.402 371 HA2 GLY 47 1HA GLY 47 5.038 -13.438 1.703 372 HA3 GLY 47 2HA GLY 47 3.405 -13.841 2.197 373 H GLU 48 H GLU 48 5.081 -10.888 0.872 374 HA GLU 48 HA GLU 48 2.894 -10.758 -1.056 375 HB2 GLU 48 1HB GLU 48 4.058 -8.726 0.729 376 HB3 GLU 48 2HB GLU 48 4.030 -8.195 -0.940 377 HG2 GLU 48 1HG GLU 48 1.532 -9.228 -0.831 378 HG3 GLU 48 2HG GLU 48 1.728 -8.880 0.875 379 H THR 49 H THR 49 3.457 -9.965 -3.235 380 HA THR 49 HA THR 49 6.315 -10.377 -3.831 381 HB THR 49 HB THR 49 4.752 -12.219 -4.594 382 HG1 THR 49 1HG THR 49 5.820 -12.160 -6.624 383 HG21 THR 49 1HG2 THR 49 3.503 -11.423 -6.805 384 HG22 THR 49 2HG2 THR 49 2.688 -11.247 -5.233 385 HG23 THR 49 3HG2 THR 49 3.478 -9.842 -5.988 386 H ASP 50 H ASP 50 5.996 -9.591 -6.609 387 HA ASP 50 HA ASP 50 6.406 -6.856 -6.224 388 HB2 ASP 50 1HB ASP 50 6.407 -8.797 -8.476 389 HB3 ASP 50 2HB ASP 50 5.976 -7.168 -8.957 390 H TYR 51 H TYR 51 3.762 -8.881 -7.658 391 HA TYR 51 HA TYR 51 2.170 -6.743 -8.539 392 HB2 TYR 51 1HB TYR 51 2.261 -9.497 -8.731 393 HB3 TYR 51 2HB TYR 51 1.029 -9.354 -7.493 394 HD1 TYR 51 2HD TYR 51 -0.344 -6.838 -8.458 395 HD2 TYR 51 1HD TYR 51 1.018 -10.301 -10.568 396 HE1 TYR 51 2HE TYR 51 -2.097 -6.440 -10.256 397 HE2 TYR 51 1HE TYR 51 -0.740 -9.892 -12.359 398 HH TYR 51 HH TYR 51 -2.152 -7.163 -12.906 399 H ASP 52 H ASP 52 1.819 -8.889 -5.618 400 HA ASP 52 HA ASP 52 -0.314 -7.675 -4.527 401 HB2 ASP 52 1HB ASP 52 2.115 -8.585 -2.922 402 HB3 ASP 52 2HB ASP 52 0.451 -8.554 -2.372 403 H ALA 53 H ALA 53 3.198 -6.967 -3.819 404 HA ALA 53 HA ALA 53 2.817 -4.828 -2.131 405 HB1 ALA 53 1HB ALA 53 5.134 -4.278 -2.657 406 HB2 ALA 53 2HB ALA 53 4.954 -6.047 -2.581 407 HB3 ALA 53 3HB ALA 53 5.053 -5.230 -4.159 408 H PHE 54 H PHE 54 3.127 -4.892 -5.741 409 HA PHE 54 HA PHE 54 3.030 -2.155 -6.123 410 HB2 PHE 54 1HB PHE 54 3.591 -3.558 -7.985 411 HB3 PHE 54 2HB PHE 54 2.298 -4.689 -7.638 412 HD1 PHE 54 2HD PHE 54 2.348 -1.004 -8.272 413 HD2 PHE 54 1HD PHE 54 0.851 -4.804 -9.421 414 HE1 PHE 54 2HE PHE 54 0.922 0.088 -10.025 415 HE2 PHE 54 1HE PHE 54 -0.576 -3.713 -11.174 416 HZ PHE 54 HZ PHE 54 -0.523 -1.279 -11.455 417 H GLN 55 H GLN 55 0.292 -4.518 -6.562 418 HA GLN 55 HA GLN 55 -1.664 -2.724 -6.973 419 HB2 GLN 55 1HB GLN 55 -1.798 -5.343 -5.418 420 HB3 GLN 55 2HB GLN 55 -3.213 -4.471 -5.970 421 HG2 GLN 55 1HG GLN 55 -1.081 -5.032 -8.016 422 HG3 GLN 55 2HG GLN 55 -2.017 -6.402 -7.452 423 HE21 GLN 55 1HE2 GLN 55 -1.887 -3.747 -9.514 424 HE22 GLN 55 2HE2 GLN 55 -3.520 -3.730 -10.092 425 H ARG 56 H ARG 56 -0.285 -3.786 -3.818 426 HA ARG 56 HA ARG 56 -2.102 -2.707 -2.144 427 HB2 ARG 56 1HB ARG 56 0.077 -4.028 -1.634 428 HB3 ARG 56 2HB ARG 56 0.908 -2.486 -1.683 429 HG2 ARG 56 1HG ARG 56 0.097 -1.846 0.358 430 HG3 ARG 56 2HG ARG 56 -1.525 -2.399 -0.009 431 HD2 ARG 56 1HD ARG 56 0.766 -4.289 0.708 432 HD3 ARG 56 2HD ARG 56 -0.363 -3.654 1.889 433 HE ARG 56 HE ARG 56 -0.902 -5.730 -0.099 434 HH11 ARG 56 2HH2 ARG 56 -2.368 -3.257 1.930 435 HH12 ARG 56 1HH2 ARG 56 -3.926 -4.014 1.948 436 HH21 ARG 56 2HH1 ARG 56 -2.958 -6.729 -0.076 437 HH22 ARG 56 1HH1 ARG 56 -4.264 -6.002 0.799 438 H LEU 57 H LEU 57 0.990 -1.078 -3.199 439 HA LEU 57 HA LEU 57 0.336 1.409 -2.148 440 HB2 LEU 57 1HB LEU 57 2.585 0.832 -2.667 441 HB3 LEU 57 2HB LEU 57 2.200 0.544 -4.353 442 HG LEU 57 HG LEU 57 3.426 2.723 -3.673 443 HD11 LEU 57 1HD1 LEU 57 1.556 3.884 -5.377 444 HD12 LEU 57 2HD1 LEU 57 3.019 2.984 -5.844 445 HD13 LEU 57 3HD1 LEU 57 1.455 2.142 -5.730 446 HD21 LEU 57 1HD2 LEU 57 2.147 3.585 -1.918 447 HD22 LEU 57 2HD2 LEU 57 1.718 4.606 -3.311 448 HD23 LEU 57 3HD2 LEU 57 0.610 3.320 -2.777 449 H ARG 58 H ARG 58 -0.022 0.122 -5.523 450 HA ARG 58 HA ARG 58 -0.994 2.297 -6.717 451 HB2 ARG 58 1HB ARG 58 -0.918 -0.476 -7.256 452 HB3 ARG 58 2HB ARG 58 -2.613 -0.066 -7.424 453 HG2 ARG 58 1HG ARG 58 -0.434 1.596 -8.752 454 HG3 ARG 58 2HG ARG 58 -1.104 0.176 -9.528 455 HD2 ARG 58 1HD ARG 58 -2.869 2.439 -8.494 456 HD3 ARG 58 2HD ARG 58 -2.204 2.443 -10.115 457 HE ARG 58 HE ARG 58 -3.438 -0.089 -9.719 458 HH11 ARG 58 2HH2 ARG 58 -4.364 3.299 -9.944 459 HH12 ARG 58 1HH2 ARG 58 -5.947 2.957 -10.560 460 HH21 ARG 58 2HH1 ARG 58 -5.526 -0.540 -10.532 461 HH22 ARG 58 1HH1 ARG 58 -6.612 0.759 -10.896 462 H LYS 59 H LYS 59 -2.524 0.384 -4.190 463 HA LYS 59 HA LYS 59 -5.129 1.565 -4.718 464 HB2 LYS 59 1HB LYS 59 -5.351 -0.700 -4.226 465 HB3 LYS 59 2HB LYS 59 -4.108 -0.673 -2.992 466 HG2 LYS 59 1HG LYS 59 -5.545 0.565 -1.456 467 HG3 LYS 59 2HG LYS 59 -6.739 0.845 -2.708 468 HD2 LYS 59 1HD LYS 59 -7.676 -1.229 -2.454 469 HD3 LYS 59 2HD LYS 59 -6.119 -2.026 -2.348 470 HE2 LYS 59 1HE LYS 59 -6.032 -0.817 0.047 471 HE3 LYS 59 2HE LYS 59 -7.774 -0.791 -0.142 472 HZ1 LYS 59 1HZ LYS 59 -6.361 -3.274 -0.670 473 HZ2 LYS 59 2HZ LYS 59 -6.597 -2.826 0.882 474 HZ3 LYS 59 3HZ LYS 59 -7.877 -3.047 -0.108 475 H ILE 60 H ILE 60 -2.361 1.706 -2.461 476 HA ILE 60 HA ILE 60 -3.622 3.242 -0.493 477 HB ILE 60 HB ILE 60 -0.754 2.843 -1.310 478 HG12 ILE 60 1HG1 ILE 60 -2.504 1.781 0.917 479 HG13 ILE 60 2HG1 ILE 60 -1.732 0.879 -0.372 480 HG21 ILE 60 1HG2 ILE 60 -0.003 4.054 0.594 481 HG22 ILE 60 2HG2 ILE 60 -1.111 5.121 -0.301 482 HG23 ILE 60 3HG2 ILE 60 -1.666 4.301 1.178 483 HD11 ILE 60 1HD1 ILE 60 0.495 1.378 0.528 484 HD12 ILE 60 2HD1 ILE 60 -0.213 2.446 1.763 485 HD13 ILE 60 3HD1 ILE 60 -0.519 0.693 1.821 486 H GLU 61 H GLU 61 -1.958 4.076 -3.564 487 HA GLU 61 HA GLU 61 -1.825 6.798 -3.106 488 HB2 GLU 61 1HB GLU 61 -2.060 5.226 -5.709 489 HB3 GLU 61 2HB GLU 61 -1.687 6.937 -5.640 490 HG2 GLU 61 1HG GLU 61 -0.047 4.781 -4.227 491 HG3 GLU 61 2HG GLU 61 0.350 5.430 -5.806 492 H ILE 62 H ILE 62 -4.493 4.676 -4.080 493 HA ILE 62 HA ILE 62 -6.140 6.726 -5.128 494 HB ILE 62 HB ILE 62 -6.786 3.972 -4.070 495 HG12 ILE 62 1HG1 ILE 62 -6.344 4.924 -6.915 496 HG13 ILE 62 2HG1 ILE 62 -5.173 4.035 -5.962 497 HG21 ILE 62 1HG2 ILE 62 -8.544 6.091 -4.693 498 HG22 ILE 62 2HG2 ILE 62 -8.627 4.944 -6.051 499 HG23 ILE 62 3HG2 ILE 62 -8.940 4.382 -4.391 500 HD11 ILE 62 1HD1 ILE 62 -6.751 2.136 -5.739 501 HD12 ILE 62 2HD1 ILE 62 -7.976 3.042 -6.659 502 HD13 ILE 62 3HD1 ILE 62 -6.469 2.525 -7.453 503 H LEU 63 H LEU 63 -6.057 4.976 -1.946 504 HA LEU 63 HA LEU 63 -8.106 6.350 -0.744 505 HB2 LEU 63 1HB LEU 63 -5.570 5.214 0.441 506 HB3 LEU 63 2HB LEU 63 -6.945 5.756 1.383 507 HG LEU 63 HG LEU 63 -7.185 3.604 -0.727 508 HD11 LEU 63 1HD1 LEU 63 -7.196 2.584 1.981 509 HD12 LEU 63 2HD1 LEU 63 -6.238 2.072 0.571 510 HD13 LEU 63 3HD1 LEU 63 -5.655 3.394 1.610 511 HD21 LEU 63 1HD2 LEU 63 -9.167 4.977 0.407 512 HD22 LEU 63 2HD2 LEU 63 -9.303 3.244 0.021 513 HD23 LEU 63 3HD2 LEU 63 -8.930 3.759 1.684 514 H THR 64 H THR 64 -4.774 7.018 0.414 515 HA THR 64 HA THR 64 -5.180 9.489 1.373 516 HB THR 64 HB THR 64 -3.039 7.863 1.080 517 HG1 THR 64 1HG THR 64 -2.330 9.512 2.385 518 HG21 THR 64 1HG2 THR 64 -1.326 8.971 -0.302 519 HG22 THR 64 2HG2 THR 64 -2.697 8.529 -1.348 520 HG23 THR 64 3HG2 THR 64 -2.496 10.213 -0.808 521 HA PRO 65 HA PRO 65 -6.077 12.167 -1.859 522 HB2 PRO 65 1HB PRO 65 -5.453 14.570 -0.717 523 HB3 PRO 65 2HB PRO 65 -6.956 13.724 -0.408 524 HG2 PRO 65 1HG PRO 65 -4.587 13.991 1.339 525 HG3 PRO 65 2HG PRO 65 -6.223 13.533 1.770 526 HD2 PRO 65 1HD PRO 65 -3.968 11.783 1.490 527 HD3 PRO 65 2HD PRO 65 -5.626 11.313 1.807 528 H GLU 66 H GLU 66 -4.943 14.596 -2.598 529 HA GLU 66 HA GLU 66 -3.401 15.314 -3.953 530 HB2 GLU 66 1HB GLU 66 -2.156 14.887 -1.558 531 HB3 GLU 66 2HB GLU 66 -1.146 13.898 -2.594 532 HG2 GLU 66 1HG GLU 66 -0.999 15.932 -4.179 533 HG3 GLU 66 2HG GLU 66 -1.751 16.871 -2.904 534 H VAL 67 H VAL 67 -4.069 14.141 -5.829 535 HA VAL 67 HA VAL 67 -2.080 12.475 -6.922 536 HB VAL 67 HB VAL 67 -3.103 10.865 -5.358 537 HG11 VAL 67 1HG1 VAL 67 -5.604 11.668 -6.817 538 HG12 VAL 67 2HG1 VAL 67 -5.447 10.010 -6.187 539 HG13 VAL 67 3HG1 VAL 67 -5.336 11.398 -5.078 540 HG21 VAL 67 1HG2 VAL 67 -3.954 9.877 -8.043 541 HG22 VAL 67 2HG2 VAL 67 -2.266 10.413 -7.859 542 HG23 VAL 67 3HG2 VAL 67 -2.908 9.119 -6.818 543 H ASN 68 H ASN 68 -2.264 12.470 -9.162 544 HA ASN 68 HA ASN 68 -4.819 13.194 -10.270 545 HB2 ASN 68 1HB ASN 68 -2.489 15.025 -10.094 546 HB3 ASN 68 2HB ASN 68 -3.061 14.825 -11.739 547 HD21 ASN 68 1HD2 ASN 68 -3.171 17.162 -10.070 548 HD22 ASN 68 2HD2 ASN 68 -4.831 17.622 -9.890 549 H LYS 69 H LYS 69 -5.000 12.418 -12.472 550 HA LYS 69 HA LYS 69 -2.763 11.706 -14.017 551 HB2 LYS 69 1HB LYS 69 -2.830 9.309 -13.920 552 HB3 LYS 69 2HB LYS 69 -2.570 9.924 -12.300 553 HG2 LYS 69 1HG LYS 69 -4.463 8.924 -11.551 554 HG3 LYS 69 2HG LYS 69 -5.427 9.728 -12.773 555 HD2 LYS 69 1HD LYS 69 -4.284 7.870 -14.367 556 HD3 LYS 69 2HD LYS 69 -4.144 7.003 -12.851 557 HE2 LYS 69 1HE LYS 69 -6.756 8.202 -13.889 558 HE3 LYS 69 2HE LYS 69 -6.289 6.530 -14.126 559 HZ1 LYS 69 1HZ LYS 69 -6.269 6.212 -11.786 560 HZ2 LYS 69 2HZ LYS 69 -6.521 7.798 -11.486 561 HZ3 LYS 69 3HZ LYS 69 -7.697 6.901 -12.179 562 H GLY 70 H GLY 70 -3.500 10.524 -16.059 563 HA2 GLY 70 1HA GLY 70 -6.184 11.515 -16.732 564 HA3 GLY 70 2HA GLY 70 -4.881 11.159 -17.849 565 H SER 71 H SER 71 -6.651 9.915 -18.993 566 HA SER 71 HA SER 71 -6.499 7.188 -18.104 567 HB2 SER 71 1HB SER 71 -8.981 6.856 -18.395 568 HB3 SER 71 2HB SER 71 -8.556 7.841 -17.010 569 HG SER 71 HG SER 71 -9.051 9.171 -19.488 570 H GLY 72 H GLY 72 -6.898 5.665 -19.868 571 HA2 GLY 72 1HA GLY 72 -7.788 5.479 -22.169 572 HA3 GLY 72 2HA GLY 72 -6.947 6.975 -22.522 573 HA PRO 73 HA PRO 73 -3.851 3.376 -22.066 574 HB2 PRO 73 1HB PRO 73 -4.800 0.904 -22.743 575 HB3 PRO 73 2HB PRO 73 -4.648 1.452 -21.085 576 HG2 PRO 73 1HG PRO 73 -7.089 1.174 -22.728 577 HG3 PRO 73 2HG PRO 73 -6.947 1.302 -20.986 578 HD2 PRO 73 1HD PRO 73 -7.759 3.371 -22.799 579 HD3 PRO 73 2HD PRO 73 -7.505 3.530 -21.072 580 H SER 74 H SER 74 -2.315 3.034 -23.615 581 HA SER 74 HA SER 74 -3.172 2.332 -26.204 582 HB2 SER 74 1HB SER 74 -3.624 4.941 -25.847 583 HB3 SER 74 2HB SER 74 -1.901 5.069 -26.142 584 HG SER 74 HG SER 74 -3.994 4.337 -27.908 585 H SER 75 H SER 75 -1.486 1.150 -27.045 586 HA SER 75 HA SER 75 0.781 0.646 -25.736 587 HB2 SER 75 1HB SER 75 0.250 0.671 -28.732 588 HB3 SER 75 2HB SER 75 1.739 0.037 -28.059 589 HG SER 75 HG SER 75 -0.197 -1.101 -26.618 590 H GLY 76 H GLY 76 2.578 1.817 -25.165 591 HA2 GLY 76 1HA GLY 76 4.269 3.251 -26.624 592 HA3 GLY 76 2HA GLY 76 2.987 4.424 -26.400 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -21.796 62.275 -14.514 2 HA2 GLY 1 1HA GLY 1 -20.183 61.428 -12.207 3 HA3 GLY 1 2HA GLY 1 -21.879 60.993 -12.266 4 H SER 2 H SER 2 -20.847 58.739 -12.222 5 HA SER 2 HA SER 2 -21.134 57.589 -14.699 6 HB2 SER 2 1HB SER 2 -18.705 56.779 -14.998 7 HB3 SER 2 2HB SER 2 -19.052 58.431 -15.467 8 HG SER 2 HG SER 2 -18.344 58.259 -12.784 9 H SER 3 H SER 3 -20.274 55.159 -14.600 10 HA SER 3 HA SER 3 -19.535 54.097 -12.162 11 HB2 SER 3 1HB SER 3 -22.447 54.542 -12.507 12 HB3 SER 3 2HB SER 3 -22.036 52.894 -12.079 13 HG SER 3 HG SER 3 -20.627 53.983 -10.343 14 H GLY 4 H GLY 4 -19.917 51.574 -12.195 15 HA2 GLY 4 1HA GLY 4 -20.598 50.404 -14.724 16 HA3 GLY 4 2HA GLY 4 -18.866 50.476 -14.464 17 H SER 5 H SER 5 -19.717 47.972 -14.667 18 HA SER 5 HA SER 5 -19.157 46.908 -12.146 19 HB2 SER 5 1HB SER 5 -21.215 45.875 -11.527 20 HB3 SER 5 2HB SER 5 -21.629 47.537 -11.896 21 HG SER 5 HG SER 5 -22.642 46.935 -13.765 22 H SER 6 H SER 6 -19.410 44.359 -12.269 23 HA SER 6 HA SER 6 -19.813 43.149 -14.713 24 HB2 SER 6 1HB SER 6 -17.682 44.481 -15.242 25 HB3 SER 6 2HB SER 6 -16.846 43.454 -14.094 26 HG SER 6 HG SER 6 -16.969 42.875 -16.549 27 H GLY 7 H GLY 7 -18.892 40.787 -14.655 28 HA2 GLY 7 1HA GLY 7 -17.789 39.682 -12.345 29 HA3 GLY 7 2HA GLY 7 -19.531 39.649 -12.150 30 H THR 8 H THR 8 -17.329 37.517 -12.726 31 HA THR 8 HA THR 8 -18.960 35.986 -14.535 32 HB THR 8 HB THR 8 -16.107 36.809 -15.294 33 HG1 THR 8 1HG THR 8 -18.720 37.147 -16.577 34 HG21 THR 8 1HG2 THR 8 -16.481 34.555 -16.135 35 HG22 THR 8 2HG2 THR 8 -18.162 34.941 -16.577 36 HG23 THR 8 3HG2 THR 8 -16.813 35.662 -17.488 37 H SER 9 H SER 9 -18.830 33.824 -14.128 38 HA SER 9 HA SER 9 -16.568 32.629 -13.059 39 HB2 SER 9 1HB SER 9 -18.097 34.021 -11.104 40 HB3 SER 9 2HB SER 9 -18.473 32.325 -10.875 41 HG SER 9 HG SER 9 -16.119 31.919 -10.833 42 H SER 10 H SER 10 -16.761 30.423 -13.455 43 HA SER 10 HA SER 10 -19.027 28.952 -13.061 44 HB2 SER 10 1HB SER 10 -19.729 28.553 -15.477 45 HB3 SER 10 2HB SER 10 -20.188 30.107 -14.811 46 HG SER 10 HG SER 10 -17.662 30.138 -16.018 47 H ASN 11 H ASN 11 -18.282 26.852 -12.959 48 HA ASN 11 HA ASN 11 -16.599 25.788 -14.910 49 HB2 ASN 11 1HB ASN 11 -14.636 25.331 -13.271 50 HB3 ASN 11 2HB ASN 11 -14.741 26.951 -13.930 51 HD21 ASN 11 1HD2 ASN 11 -14.353 25.165 -11.190 52 HD22 ASN 11 2HD2 ASN 11 -14.783 26.320 -9.973 53 HA PRO 12 HA PRO 12 -18.813 22.752 -12.460 54 HB2 PRO 12 1HB PRO 12 -19.305 20.993 -14.493 55 HB3 PRO 12 2HB PRO 12 -20.384 22.311 -14.084 56 HG2 PRO 12 1HG PRO 12 -18.516 22.083 -16.364 57 HG3 PRO 12 2HG PRO 12 -19.882 23.164 -16.167 58 HD2 PRO 12 1HD PRO 12 -17.107 23.835 -15.885 59 HD3 PRO 12 2HD PRO 12 -18.476 24.885 -15.576 60 H VAL 13 H VAL 13 -17.380 20.795 -14.950 61 HA VAL 13 HA VAL 13 -16.085 18.989 -14.680 62 HB VAL 13 HB VAL 13 -14.434 21.217 -13.480 63 HG11 VAL 13 1HG1 VAL 13 -12.489 19.907 -13.655 64 HG12 VAL 13 2HG1 VAL 13 -13.684 18.823 -12.903 65 HG13 VAL 13 3HG1 VAL 13 -13.303 18.664 -14.634 66 HG21 VAL 13 1HG2 VAL 13 -13.673 20.260 -16.118 67 HG22 VAL 13 2HG2 VAL 13 -15.370 20.796 -16.085 68 HG23 VAL 13 3HG2 VAL 13 -14.076 21.906 -15.575 69 H LEU 14 H LEU 14 -17.334 17.662 -13.291 70 HA LEU 14 HA LEU 14 -16.078 17.097 -10.820 71 HB2 LEU 14 1HB LEU 14 -17.883 17.611 -9.314 72 HB3 LEU 14 2HB LEU 14 -17.288 19.065 -10.091 73 HG LEU 14 HG LEU 14 -19.404 18.242 -11.723 74 HD11 LEU 14 1HD1 LEU 14 -21.294 18.095 -10.059 75 HD12 LEU 14 2HD1 LEU 14 -20.251 16.656 -10.174 76 HD13 LEU 14 3HD1 LEU 14 -20.066 17.783 -8.808 77 HD21 LEU 14 1HD2 LEU 14 -19.890 20.246 -9.562 78 HD22 LEU 14 2HD2 LEU 14 -18.567 20.543 -10.715 79 HD23 LEU 14 3HD2 LEU 14 -20.232 20.329 -11.307 80 H GLU 15 H GLU 15 -15.914 14.967 -11.408 81 HA GLU 15 HA GLU 15 -18.156 13.376 -11.124 82 HB2 GLU 15 1HB GLU 15 -18.259 14.503 -13.609 83 HB3 GLU 15 2HB GLU 15 -17.292 13.087 -13.973 84 HG2 GLU 15 1HG GLU 15 -19.898 12.902 -12.402 85 HG3 GLU 15 2HG GLU 15 -19.863 12.832 -14.153 86 H LEU 16 H LEU 16 -16.705 12.263 -9.739 87 HA LEU 16 HA LEU 16 -14.796 10.596 -11.184 88 HB2 LEU 16 1HB LEU 16 -13.139 10.946 -9.363 89 HB3 LEU 16 2HB LEU 16 -13.383 12.315 -10.429 90 HG LEU 16 HG LEU 16 -15.126 12.494 -8.113 91 HD11 LEU 16 1HD1 LEU 16 -13.710 12.432 -6.322 92 HD12 LEU 16 2HD1 LEU 16 -12.994 11.142 -7.318 93 HD13 LEU 16 3HD1 LEU 16 -12.264 12.765 -7.304 94 HD21 LEU 16 1HD2 LEU 16 -14.718 14.405 -9.468 95 HD22 LEU 16 2HD2 LEU 16 -13.936 14.702 -7.897 96 HD23 LEU 16 3HD2 LEU 16 -12.954 14.230 -9.304 97 H GLU 17 H GLU 17 -15.865 8.675 -10.953 98 HA GLU 17 HA GLU 17 -16.159 7.772 -8.235 99 HB2 GLU 17 1HB GLU 17 -18.453 8.068 -10.187 100 HB3 GLU 17 2HB GLU 17 -18.488 6.782 -8.998 101 HG2 GLU 17 1HG GLU 17 -19.283 8.289 -7.501 102 HG3 GLU 17 2HG GLU 17 -17.705 9.050 -7.515 103 H LEU 18 H LEU 18 -14.758 6.053 -8.337 104 HA LEU 18 HA LEU 18 -15.448 3.774 -9.781 105 HB2 LEU 18 1HB LEU 18 -13.891 5.704 -11.267 106 HB3 LEU 18 2HB LEU 18 -12.987 4.219 -11.048 107 HG LEU 18 HG LEU 18 -15.804 4.306 -12.155 108 HD11 LEU 18 1HD1 LEU 18 -15.066 4.863 -14.177 109 HD12 LEU 18 2HD1 LEU 18 -13.525 5.314 -13.407 110 HD13 LEU 18 3HD1 LEU 18 -13.734 3.685 -14.094 111 HD21 LEU 18 1HD2 LEU 18 -14.879 2.045 -13.122 112 HD22 LEU 18 2HD2 LEU 18 -13.764 2.154 -11.739 113 HD23 LEU 18 3HD2 LEU 18 -15.523 2.135 -11.465 114 H ALA 19 H ALA 19 -13.852 2.002 -9.406 115 HA ALA 19 HA ALA 19 -11.627 2.531 -7.713 116 HB1 ALA 19 1HB ALA 19 -13.986 1.081 -6.458 117 HB2 ALA 19 2HB ALA 19 -12.447 1.528 -5.685 118 HB3 ALA 19 3HB ALA 19 -13.608 2.793 -6.152 119 H GLU 20 H GLU 20 -11.446 1.413 -10.099 120 HA GLU 20 HA GLU 20 -10.578 -1.177 -9.516 121 HB2 GLU 20 1HB GLU 20 -13.170 -1.419 -9.793 122 HB3 GLU 20 2HB GLU 20 -12.873 -1.169 -11.502 123 HG2 GLU 20 1HG GLU 20 -11.145 -3.069 -11.369 124 HG3 GLU 20 2HG GLU 20 -11.731 -3.389 -9.748 125 H GLU 21 H GLU 21 -9.117 0.875 -10.420 126 HA GLU 21 HA GLU 21 -9.101 0.718 -13.310 127 HB2 GLU 21 1HB GLU 21 -7.504 2.627 -13.168 128 HB3 GLU 21 2HB GLU 21 -9.017 2.967 -12.351 129 HG2 GLU 21 1HG GLU 21 -8.062 2.805 -10.205 130 HG3 GLU 21 2HG GLU 21 -6.763 1.758 -10.742 131 H LYS 22 H LYS 22 -8.378 -1.680 -11.978 132 HA LYS 22 HA LYS 22 -5.685 -1.960 -11.420 133 HB2 LYS 22 1HB LYS 22 -6.058 -4.324 -11.667 134 HB3 LYS 22 2HB LYS 22 -7.457 -3.606 -10.894 135 HG2 LYS 22 1HG LYS 22 -7.707 -3.600 -13.831 136 HG3 LYS 22 2HG LYS 22 -7.471 -5.219 -13.201 137 HD2 LYS 22 1HD LYS 22 -9.316 -4.149 -11.402 138 HD3 LYS 22 2HD LYS 22 -9.801 -3.408 -12.914 139 HE2 LYS 22 1HE LYS 22 -10.873 -5.347 -13.417 140 HE3 LYS 22 2HE LYS 22 -9.298 -6.085 -13.627 141 HZ1 LYS 22 1HZ LYS 22 -11.164 -6.521 -11.593 142 HZ2 LYS 22 2HZ LYS 22 -9.774 -7.325 -11.891 143 HZ3 LYS 22 3HZ LYS 22 -9.766 -6.009 -10.924 144 H LEU 23 H LEU 23 -3.840 -2.429 -12.635 145 HA LEU 23 HA LEU 23 -4.197 -2.507 -15.533 146 HB2 LEU 23 1HB LEU 23 -2.721 -0.446 -13.953 147 HB3 LEU 23 2HB LEU 23 -2.062 -0.957 -15.494 148 HG LEU 23 HG LEU 23 -4.925 -0.296 -15.613 149 HD11 LEU 23 1HD1 LEU 23 -4.759 1.468 -14.202 150 HD12 LEU 23 2HD1 LEU 23 -2.998 1.621 -14.412 151 HD13 LEU 23 3HD1 LEU 23 -4.102 2.253 -15.657 152 HD21 LEU 23 1HD2 LEU 23 -2.465 0.499 -17.189 153 HD22 LEU 23 2HD2 LEU 23 -3.710 -0.694 -17.631 154 HD23 LEU 23 3HD2 LEU 23 -4.117 1.038 -17.574 155 HA PRO 24 HA PRO 24 -1.100 -5.499 -15.269 156 HB2 PRO 24 1HB PRO 24 0.180 -5.297 -17.675 157 HB3 PRO 24 2HB PRO 24 -1.360 -6.108 -17.474 158 HG2 PRO 24 1HG PRO 24 -0.800 -3.461 -18.665 159 HG3 PRO 24 2HG PRO 24 -2.230 -4.459 -18.832 160 HD2 PRO 24 1HD PRO 24 -1.950 -2.123 -17.191 161 HD3 PRO 24 2HD PRO 24 -3.340 -3.188 -17.271 162 H MET 25 H MET 25 -0.168 -4.283 -13.422 163 HA MET 25 HA MET 25 1.512 -3.304 -12.425 164 HB2 MET 25 1HB MET 25 2.533 -5.444 -14.139 165 HB3 MET 25 2HB MET 25 3.763 -4.207 -13.978 166 HG2 MET 25 1HG MET 25 3.024 -4.351 -11.374 167 HG3 MET 25 2HG MET 25 2.551 -5.968 -11.857 168 HE1 MET 25 1HE MET 25 4.162 -5.640 -9.785 169 HE2 MET 25 2HE MET 25 5.274 -6.991 -10.111 170 HE3 MET 25 3HE MET 25 5.912 -5.342 -9.908 171 H THR 26 H THR 26 1.312 -1.079 -12.801 172 HA THR 26 HA THR 26 2.587 -0.033 -15.225 173 HB THR 26 HB THR 26 1.155 1.860 -14.909 174 HG1 THR 26 1HG THR 26 0.810 0.713 -12.226 175 HG21 THR 26 1HG2 THR 26 -1.057 0.993 -14.658 176 HG22 THR 26 2HG2 THR 26 -0.132 -0.413 -15.239 177 HG23 THR 26 3HG2 THR 26 -0.526 -0.260 -13.510 178 H LEU 27 H LEU 27 2.852 -0.165 -11.690 179 HA LEU 27 HA LEU 27 5.166 1.626 -11.897 180 HB2 LEU 27 1HB LEU 27 3.915 0.856 -9.297 181 HB3 LEU 27 2HB LEU 27 4.812 2.300 -9.726 182 HG LEU 27 HG LEU 27 2.085 1.744 -10.894 183 HD11 LEU 27 1HD1 LEU 27 0.960 2.482 -9.079 184 HD12 LEU 27 2HD1 LEU 27 2.378 1.832 -8.221 185 HD13 LEU 27 3HD1 LEU 27 2.268 3.575 -8.567 186 HD21 LEU 27 1HD2 LEU 27 2.173 4.368 -10.793 187 HD22 LEU 27 2HD2 LEU 27 3.931 4.097 -10.727 188 HD23 LEU 27 3HD2 LEU 27 2.986 3.476 -12.102 189 H SER 28 H SER 28 7.198 0.855 -11.489 190 HA SER 28 HA SER 28 7.440 -1.961 -11.299 191 HB2 SER 28 1HB SER 28 9.321 0.374 -11.592 192 HB3 SER 28 2HB SER 28 9.991 -1.154 -11.055 193 HG SER 28 HG SER 28 8.398 -1.779 -13.109 194 H ARG 29 H ARG 29 9.059 -2.945 -9.634 195 HA ARG 29 HA ARG 29 8.081 -2.890 -7.196 196 HB2 ARG 29 1HB ARG 29 10.553 -3.441 -6.432 197 HB3 ARG 29 2HB ARG 29 9.748 -4.516 -7.559 198 HG2 ARG 29 1HG ARG 29 11.461 -4.184 -9.006 199 HG3 ARG 29 2HG ARG 29 10.914 -2.530 -9.201 200 HD2 ARG 29 1HD ARG 29 12.311 -1.858 -7.211 201 HD3 ARG 29 2HD ARG 29 12.890 -3.506 -7.080 202 HE ARG 29 HE ARG 29 13.310 -2.557 -9.765 203 HH11 ARG 29 2HH2 ARG 29 14.552 -2.170 -6.496 204 HH12 ARG 29 1HH2 ARG 29 16.143 -1.725 -7.016 205 HH21 ARG 29 2HH1 ARG 29 15.409 -1.970 -10.452 206 HH22 ARG 29 1HH1 ARG 29 16.633 -1.610 -9.281 207 H GLN 30 H GLN 30 10.946 -0.884 -8.228 208 HA GLN 30 HA GLN 30 11.250 0.450 -5.860 209 HB2 GLN 30 1HB GLN 30 12.803 0.421 -7.887 210 HB3 GLN 30 2HB GLN 30 11.762 1.621 -8.626 211 HG2 GLN 30 1HG GLN 30 12.124 3.114 -6.613 212 HG3 GLN 30 2HG GLN 30 13.247 1.929 -5.973 213 HE21 GLN 30 1HE2 GLN 30 15.092 3.048 -6.064 214 HE22 GLN 30 2HE2 GLN 30 15.847 3.637 -7.507 215 H GLU 31 H GLU 31 9.327 1.392 -8.791 216 HA GLU 31 HA GLU 31 8.470 3.814 -7.878 217 HB2 GLU 31 1HB GLU 31 8.159 2.723 -10.188 218 HB3 GLU 31 2HB GLU 31 6.763 1.901 -9.520 219 HG2 GLU 31 1HG GLU 31 5.914 3.895 -10.559 220 HG3 GLU 31 2HG GLU 31 5.852 4.192 -8.833 221 H VAL 32 H VAL 32 7.610 0.591 -6.804 222 HA VAL 32 HA VAL 32 5.209 1.574 -5.478 223 HB VAL 32 HB VAL 32 6.413 -1.151 -5.940 224 HG11 VAL 32 1HG1 VAL 32 3.858 -0.608 -4.402 225 HG12 VAL 32 2HG1 VAL 32 4.677 -2.168 -4.655 226 HG13 VAL 32 3HG1 VAL 32 5.425 -0.927 -3.621 227 HG21 VAL 32 1HG2 VAL 32 5.052 0.136 -7.723 228 HG22 VAL 32 2HG2 VAL 32 4.599 -1.548 -7.369 229 HG23 VAL 32 3HG2 VAL 32 3.645 -0.208 -6.689 230 H ILE 33 H ILE 33 8.577 0.594 -4.905 231 HA ILE 33 HA ILE 33 8.284 0.347 -2.091 232 HB ILE 33 HB ILE 33 10.624 0.578 -3.967 233 HG12 ILE 33 1HG1 ILE 33 9.968 -1.740 -2.167 234 HG13 ILE 33 2HG1 ILE 33 9.091 -1.526 -3.669 235 HG21 ILE 33 1HG2 ILE 33 11.973 1.182 -2.316 236 HG22 ILE 33 2HG2 ILE 33 10.609 1.215 -1.172 237 HG23 ILE 33 3HG2 ILE 33 11.520 -0.293 -1.427 238 HD11 ILE 33 1HD1 ILE 33 11.045 -2.980 -4.034 239 HD12 ILE 33 2HD1 ILE 33 11.260 -1.451 -4.920 240 HD13 ILE 33 3HD1 ILE 33 12.126 -1.721 -3.388 241 H ARG 34 H ARG 34 9.086 2.984 -4.380 242 HA ARG 34 HA ARG 34 10.085 4.775 -2.595 243 HB2 ARG 34 1HB ARG 34 8.754 4.883 -5.255 244 HB3 ARG 34 2HB ARG 34 8.613 6.373 -4.344 245 HG2 ARG 34 1HG ARG 34 11.101 6.384 -3.999 246 HG3 ARG 34 2HG ARG 34 11.230 4.912 -4.940 247 HD2 ARG 34 1HD ARG 34 11.213 6.093 -6.881 248 HD3 ARG 34 2HD ARG 34 9.683 6.837 -6.461 249 HE ARG 34 HE ARG 34 11.534 8.210 -4.901 250 HH11 ARG 34 2HH2 ARG 34 11.195 7.563 -8.343 251 HH12 ARG 34 1HH2 ARG 34 11.987 9.026 -8.826 252 HH21 ARG 34 2HH1 ARG 34 12.579 10.140 -5.537 253 HH22 ARG 34 1HH1 ARG 34 12.780 10.502 -7.219 254 H ARG 35 H ARG 35 6.718 5.037 -3.952 255 HA ARG 35 HA ARG 35 5.714 6.757 -2.210 256 HB2 ARG 35 1HB ARG 35 4.436 4.328 -3.527 257 HB3 ARG 35 2HB ARG 35 3.474 5.403 -2.532 258 HG2 ARG 35 1HG ARG 35 3.398 6.998 -4.155 259 HG3 ARG 35 2HG ARG 35 5.131 6.931 -4.408 260 HD2 ARG 35 1HD ARG 35 4.947 5.114 -5.976 261 HD3 ARG 35 2HD ARG 35 3.305 4.746 -5.487 262 HE ARG 35 HE ARG 35 2.524 6.433 -6.911 263 HH11 ARG 35 2HH2 ARG 35 5.968 6.894 -6.358 264 HH12 ARG 35 1HH2 ARG 35 6.117 8.159 -7.532 265 HH21 ARG 35 2HH1 ARG 35 2.720 8.101 -8.460 266 HH22 ARG 35 1HH1 ARG 35 4.257 8.850 -8.735 267 H LEU 36 H LEU 36 5.268 3.155 -1.827 268 HA LEU 36 HA LEU 36 4.149 3.047 0.595 269 HB2 LEU 36 1HB LEU 36 6.331 1.294 -0.534 270 HB3 LEU 36 2HB LEU 36 5.422 0.901 0.911 271 HG LEU 36 HG LEU 36 4.246 1.280 -1.858 272 HD11 LEU 36 1HD1 LEU 36 5.676 -0.751 -1.566 273 HD12 LEU 36 2HD1 LEU 36 4.564 -1.286 -0.283 274 HD13 LEU 36 3HD1 LEU 36 3.972 -1.094 -1.951 275 HD21 LEU 36 1HD2 LEU 36 2.259 0.102 -0.626 276 HD22 LEU 36 2HD2 LEU 36 3.011 0.794 0.831 277 HD23 LEU 36 3HD2 LEU 36 2.487 1.862 -0.493 278 H ARG 37 H ARG 37 7.747 3.152 0.071 279 HA ARG 37 HA ARG 37 8.450 3.259 2.674 280 HB2 ARG 37 1HB ARG 37 9.651 4.233 0.102 281 HB3 ARG 37 2HB ARG 37 10.357 4.893 1.564 282 HG2 ARG 37 1HG ARG 37 10.331 2.329 2.347 283 HG3 ARG 37 2HG ARG 37 10.281 2.024 0.622 284 HD2 ARG 37 1HD ARG 37 12.344 3.344 0.282 285 HD3 ARG 37 2HD ARG 37 12.365 3.807 1.972 286 HE ARG 37 HE ARG 37 12.326 1.036 2.076 287 HH11 ARG 37 2HH2 ARG 37 14.383 3.395 0.469 288 HH12 ARG 37 1HH2 ARG 37 15.791 2.386 0.512 289 HH21 ARG 37 2HH1 ARG 37 14.182 -0.295 2.133 290 HH22 ARG 37 1HH1 ARG 37 15.676 0.273 1.465 291 H GLU 38 H GLU 38 7.855 6.075 0.441 292 HA GLU 38 HA GLU 38 8.212 7.987 2.428 293 HB2 GLU 38 1HB GLU 38 6.894 7.991 -0.300 294 HB3 GLU 38 2HB GLU 38 6.823 9.419 0.713 295 HG2 GLU 38 1HG GLU 38 9.527 8.617 0.849 296 HG3 GLU 38 2HG GLU 38 9.085 8.339 -0.824 297 H ARG 39 H ARG 39 5.719 5.695 1.949 298 HA ARG 39 HA ARG 39 3.714 7.409 3.110 299 HB2 ARG 39 1HB ARG 39 3.639 4.548 2.037 300 HB3 ARG 39 2HB ARG 39 2.255 5.304 2.800 301 HG2 ARG 39 1HG ARG 39 3.507 6.987 0.700 302 HG3 ARG 39 2HG ARG 39 2.887 5.465 0.093 303 HD2 ARG 39 1HD ARG 39 0.757 6.242 0.208 304 HD3 ARG 39 2HD ARG 39 0.930 6.553 1.924 305 HE ARG 39 HE ARG 39 1.058 8.814 1.396 306 HH11 ARG 39 2HH2 ARG 39 2.336 6.976 -1.319 307 HH12 ARG 39 1HH2 ARG 39 2.660 8.379 -2.281 308 HH21 ARG 39 2HH1 ARG 39 1.486 10.666 0.128 309 HH22 ARG 39 1HH1 ARG 39 2.174 10.492 -1.453 310 H GLY 40 H GLY 40 5.989 4.832 3.906 311 HA2 GLY 40 1HA GLY 40 6.667 4.346 6.071 312 HA3 GLY 40 2HA GLY 40 5.162 4.979 6.707 313 H GLU 41 H GLU 41 5.338 2.728 3.924 314 HA GLU 41 HA GLU 41 4.043 0.760 5.641 315 HB2 GLU 41 1HB GLU 41 3.831 0.615 2.644 316 HB3 GLU 41 2HB GLU 41 2.672 0.124 3.863 317 HG2 GLU 41 1HG GLU 41 3.394 3.038 3.307 318 HG3 GLU 41 2HG GLU 41 2.036 2.221 2.560 319 HA PRO 42 HA PRO 42 7.198 -2.063 4.690 320 HB2 PRO 42 1HB PRO 42 5.920 -4.475 4.550 321 HB3 PRO 42 2HB PRO 42 6.322 -3.689 6.064 322 HG2 PRO 42 1HG PRO 42 3.690 -3.924 4.739 323 HG3 PRO 42 2HG PRO 42 4.047 -3.534 6.410 324 HD2 PRO 42 1HD PRO 42 3.253 -1.701 4.352 325 HD3 PRO 42 2HD PRO 42 3.722 -1.297 5.991 326 H ILE 43 H ILE 43 8.432 -2.017 2.929 327 HA ILE 43 HA ILE 43 7.323 -1.902 0.400 328 HB ILE 43 HB ILE 43 9.655 -2.489 -0.342 329 HG12 ILE 43 1HG1 ILE 43 10.802 -2.142 2.321 330 HG13 ILE 43 2HG1 ILE 43 9.859 -3.614 2.201 331 HG21 ILE 43 1HG2 ILE 43 10.636 -0.390 0.763 332 HG22 ILE 43 2HG2 ILE 43 9.152 -0.210 -0.202 333 HG23 ILE 43 3HG2 ILE 43 9.059 -0.240 1.575 334 HD11 ILE 43 1HD1 ILE 43 11.309 -4.589 0.708 335 HD12 ILE 43 2HD1 ILE 43 11.622 -3.057 -0.142 336 HD13 ILE 43 3HD1 ILE 43 12.461 -3.414 1.386 337 H ARG 44 H ARG 44 7.803 -4.612 2.555 338 HA ARG 44 HA ARG 44 6.591 -6.282 0.585 339 HB2 ARG 44 1HB ARG 44 9.010 -6.591 0.082 340 HB3 ARG 44 2HB ARG 44 9.332 -6.971 1.762 341 HG2 ARG 44 1HG ARG 44 9.175 -9.099 0.710 342 HG3 ARG 44 2HG ARG 44 7.625 -8.903 1.504 343 HD2 ARG 44 1HD ARG 44 6.495 -8.922 -0.478 344 HD3 ARG 44 2HD ARG 44 7.574 -7.742 -1.194 345 HE ARG 44 HE ARG 44 8.715 -10.447 -0.931 346 HH11 ARG 44 2HH2 ARG 44 6.981 -8.187 -2.996 347 HH12 ARG 44 1HH2 ARG 44 7.397 -9.010 -4.463 348 HH21 ARG 44 2HH1 ARG 44 9.264 -11.534 -2.865 349 HH22 ARG 44 1HH1 ARG 44 8.704 -10.927 -4.387 350 H LEU 45 H LEU 45 4.966 -7.291 1.722 351 HA LEU 45 HA LEU 45 5.107 -7.388 4.581 352 HB2 LEU 45 1HB LEU 45 3.079 -7.923 2.472 353 HB3 LEU 45 2HB LEU 45 2.864 -8.719 4.019 354 HG LEU 45 HG LEU 45 3.383 -5.770 4.006 355 HD11 LEU 45 1HD1 LEU 45 0.866 -5.443 3.824 356 HD12 LEU 45 2HD1 LEU 45 1.742 -5.802 2.317 357 HD13 LEU 45 3HD1 LEU 45 0.807 -7.081 3.130 358 HD21 LEU 45 1HD2 LEU 45 2.404 -7.804 5.854 359 HD22 LEU 45 2HD2 LEU 45 3.075 -6.186 6.172 360 HD23 LEU 45 3HD2 LEU 45 1.348 -6.374 5.783 361 H PHE 46 H PHE 46 3.924 -9.768 5.305 362 HA PHE 46 HA PHE 46 6.140 -11.570 4.884 363 HB2 PHE 46 1HB PHE 46 4.823 -10.934 7.090 364 HB3 PHE 46 2HB PHE 46 3.546 -11.965 6.475 365 HD1 PHE 46 1HD PHE 46 7.130 -11.980 7.445 366 HD2 PHE 46 2HD PHE 46 3.624 -14.284 6.808 367 HE1 PHE 46 1HE PHE 46 8.264 -13.983 8.446 368 HE2 PHE 46 2HE PHE 46 4.758 -16.287 7.808 369 HZ PHE 46 HZ PHE 46 7.064 -16.112 8.615 370 H GLY 47 H GLY 47 5.645 -11.959 2.549 371 HA2 GLY 47 1HA GLY 47 5.056 -13.997 1.410 372 HA3 GLY 47 2HA GLY 47 3.539 -14.017 2.288 373 H GLU 48 H GLU 48 5.249 -11.274 0.637 374 HA GLU 48 HA GLU 48 2.866 -11.040 -1.031 375 HB2 GLU 48 1HB GLU 48 4.298 -9.065 0.626 376 HB3 GLU 48 2HB GLU 48 4.071 -8.515 -1.023 377 HG2 GLU 48 1HG GLU 48 1.584 -9.410 -0.668 378 HG3 GLU 48 2HG GLU 48 1.977 -9.253 1.033 379 H THR 49 H THR 49 3.250 -10.097 -3.231 380 HA THR 49 HA THR 49 6.004 -10.614 -4.142 381 HB THR 49 HB THR 49 4.452 -12.457 -4.783 382 HG1 THR 49 1HG THR 49 4.975 -10.516 -6.923 383 HG21 THR 49 1HG2 THR 49 2.569 -12.035 -6.283 384 HG22 THR 49 2HG2 THR 49 2.332 -11.018 -4.842 385 HG23 THR 49 3HG2 THR 49 2.950 -10.298 -6.348 386 H ASP 50 H ASP 50 6.550 -9.492 -6.222 387 HA ASP 50 HA ASP 50 6.513 -6.874 -5.973 388 HB2 ASP 50 1HB ASP 50 6.336 -8.550 -8.508 389 HB3 ASP 50 2HB ASP 50 6.560 -6.813 -8.586 390 H TYR 51 H TYR 51 3.916 -8.940 -7.355 391 HA TYR 51 HA TYR 51 2.351 -6.836 -8.402 392 HB2 TYR 51 1HB TYR 51 2.461 -9.608 -8.462 393 HB3 TYR 51 2HB TYR 51 1.167 -9.397 -7.300 394 HD1 TYR 51 2HD TYR 51 0.018 -6.817 -8.574 395 HD2 TYR 51 1HD TYR 51 1.158 -10.604 -10.206 396 HE1 TYR 51 2HE TYR 51 -1.636 -6.502 -10.478 397 HE2 TYR 51 1HE TYR 51 -0.501 -10.276 -12.105 398 HH TYR 51 HH TYR 51 -2.946 -8.168 -12.017 399 H ASP 52 H ASP 52 1.754 -8.952 -5.500 400 HA ASP 52 HA ASP 52 -0.335 -7.583 -4.511 401 HB2 ASP 52 1HB ASP 52 1.409 -9.609 -3.625 402 HB3 ASP 52 2HB ASP 52 1.549 -8.380 -2.384 403 H ALA 53 H ALA 53 3.206 -7.078 -3.841 404 HA ALA 53 HA ALA 53 2.948 -5.000 -2.029 405 HB1 ALA 53 1HB ALA 53 5.145 -5.483 -4.082 406 HB2 ALA 53 2HB ALA 53 5.292 -4.551 -2.573 407 HB3 ALA 53 3HB ALA 53 5.013 -6.308 -2.510 408 H PHE 54 H PHE 54 3.027 -5.022 -5.632 409 HA PHE 54 HA PHE 54 3.092 -2.216 -5.874 410 HB2 PHE 54 1HB PHE 54 3.739 -3.471 -7.798 411 HB3 PHE 54 2HB PHE 54 2.494 -4.678 -7.543 412 HD1 PHE 54 1HD PHE 54 2.768 -1.043 -8.369 413 HD2 PHE 54 2HD PHE 54 0.717 -4.702 -9.007 414 HE1 PHE 54 1HE PHE 54 1.339 0.062 -10.111 415 HE2 PHE 54 2HE PHE 54 -0.713 -3.597 -10.749 416 HZ PHE 54 HZ PHE 54 -0.385 -1.228 -11.280 417 H GLN 55 H GLN 55 0.432 -4.671 -5.944 418 HA GLN 55 HA GLN 55 -1.589 -2.979 -6.646 419 HB2 GLN 55 1HB GLN 55 -1.733 -5.345 -4.725 420 HB3 GLN 55 2HB GLN 55 -3.096 -4.643 -5.574 421 HG2 GLN 55 1HG GLN 55 -2.488 -5.559 -7.615 422 HG3 GLN 55 2HG GLN 55 -0.771 -5.431 -7.288 423 HE21 GLN 55 1HE2 GLN 55 -3.325 -6.871 -5.298 424 HE22 GLN 55 2HE2 GLN 55 -2.722 -8.494 -5.292 425 H ARG 56 H ARG 56 -0.637 -3.981 -3.275 426 HA ARG 56 HA ARG 56 -2.334 -2.605 -1.826 427 HB2 ARG 56 1HB ARG 56 -0.045 -3.893 -1.244 428 HB3 ARG 56 2HB ARG 56 0.582 -2.263 -1.092 429 HG2 ARG 56 1HG ARG 56 -0.789 -1.748 0.743 430 HG3 ARG 56 2HG ARG 56 -2.028 -2.897 0.281 431 HD2 ARG 56 1HD ARG 56 0.726 -3.873 1.119 432 HD3 ARG 56 2HD ARG 56 -0.471 -3.459 2.330 433 HE ARG 56 HE ARG 56 -0.466 -5.828 0.673 434 HH11 ARG 56 2HH2 ARG 56 -2.634 -3.511 2.193 435 HH12 ARG 56 1HH2 ARG 56 -3.958 -4.623 2.296 436 HH21 ARG 56 2HH1 ARG 56 -2.212 -7.296 0.808 437 HH22 ARG 56 1HH1 ARG 56 -3.716 -6.791 1.503 438 H LEU 57 H LEU 57 0.819 -1.181 -2.987 439 HA LEU 57 HA LEU 57 0.263 1.408 -2.129 440 HB2 LEU 57 1HB LEU 57 2.489 0.693 -2.599 441 HB3 LEU 57 2HB LEU 57 2.089 0.308 -4.262 442 HG LEU 57 HG LEU 57 3.405 2.473 -3.738 443 HD11 LEU 57 1HD1 LEU 57 1.565 1.750 -5.786 444 HD12 LEU 57 2HD1 LEU 57 1.397 3.496 -5.484 445 HD13 LEU 57 3HD1 LEU 57 2.990 2.812 -5.887 446 HD21 LEU 57 1HD2 LEU 57 1.867 4.459 -3.439 447 HD22 LEU 57 2HD2 LEU 57 0.609 3.302 -2.942 448 HD23 LEU 57 3HD2 LEU 57 2.115 3.438 -2.003 449 H ARG 58 H ARG 58 -0.151 -0.142 -5.385 450 HA ARG 58 HA ARG 58 -1.037 1.961 -6.761 451 HB2 ARG 58 1HB ARG 58 -1.080 -0.851 -7.058 452 HB3 ARG 58 2HB ARG 58 -2.756 -0.382 -7.266 453 HG2 ARG 58 1HG ARG 58 -0.449 0.964 -8.745 454 HG3 ARG 58 2HG ARG 58 -1.349 -0.388 -9.402 455 HD2 ARG 58 1HD ARG 58 -2.644 1.300 -10.304 456 HD3 ARG 58 2HD ARG 58 -3.450 1.205 -8.751 457 HE ARG 58 HE ARG 58 -2.497 3.267 -8.135 458 HH11 ARG 58 2HH2 ARG 58 -0.927 2.049 -11.039 459 HH12 ARG 58 1HH2 ARG 58 -0.069 3.522 -11.347 460 HH21 ARG 58 2HH1 ARG 58 -1.365 5.211 -8.541 461 HH22 ARG 58 1HH1 ARG 58 -0.320 5.332 -9.917 462 H LYS 59 H LYS 59 -2.638 0.335 -4.081 463 HA LYS 59 HA LYS 59 -5.194 1.571 -4.709 464 HB2 LYS 59 1HB LYS 59 -4.527 -0.863 -3.619 465 HB3 LYS 59 2HB LYS 59 -4.910 0.071 -2.188 466 HG2 LYS 59 1HG LYS 59 -7.060 0.820 -3.408 467 HG3 LYS 59 2HG LYS 59 -6.693 -0.395 -4.616 468 HD2 LYS 59 1HD LYS 59 -6.627 -2.136 -2.770 469 HD3 LYS 59 2HD LYS 59 -7.133 -0.899 -1.636 470 HE2 LYS 59 1HE LYS 59 -9.125 -0.500 -3.325 471 HE3 LYS 59 2HE LYS 59 -8.696 -2.077 -3.957 472 HZ1 LYS 59 1HZ LYS 59 -10.027 -2.761 -2.326 473 HZ2 LYS 59 2HZ LYS 59 -8.732 -2.552 -1.352 474 HZ3 LYS 59 3HZ LYS 59 -9.883 -1.397 -1.440 475 H ILE 60 H ILE 60 -2.415 1.797 -2.474 476 HA ILE 60 HA ILE 60 -3.602 3.543 -0.643 477 HB ILE 60 HB ILE 60 -0.759 2.964 -1.437 478 HG12 ILE 60 1HG1 ILE 60 -2.511 2.200 0.909 479 HG13 ILE 60 2HG1 ILE 60 -1.829 1.142 -0.310 480 HG21 ILE 60 1HG2 ILE 60 -0.088 4.224 0.609 481 HG22 ILE 60 2HG2 ILE 60 -0.714 5.246 -0.706 482 HG23 ILE 60 3HG2 ILE 60 -1.743 4.873 0.697 483 HD11 ILE 60 1HD1 ILE 60 0.494 2.086 0.516 484 HD12 ILE 60 2HD1 ILE 60 -0.425 2.563 1.964 485 HD13 ILE 60 3HD1 ILE 60 -0.341 0.850 1.487 486 H GLU 61 H GLU 61 -1.739 4.106 -3.687 487 HA GLU 61 HA GLU 61 -1.530 6.807 -3.514 488 HB2 GLU 61 1HB GLU 61 -1.961 5.027 -5.948 489 HB3 GLU 61 2HB GLU 61 -1.544 6.724 -6.072 490 HG2 GLU 61 1HG GLU 61 0.117 4.706 -4.494 491 HG3 GLU 61 2HG GLU 61 0.432 5.106 -6.171 492 H ILE 62 H ILE 62 -4.340 4.801 -4.482 493 HA ILE 62 HA ILE 62 -5.889 6.907 -5.504 494 HB ILE 62 HB ILE 62 -6.704 4.259 -4.299 495 HG12 ILE 62 1HG1 ILE 62 -6.332 4.958 -7.221 496 HG13 ILE 62 2HG1 ILE 62 -5.073 4.225 -6.247 497 HG21 ILE 62 1HG2 ILE 62 -8.309 6.461 -5.046 498 HG22 ILE 62 2HG2 ILE 62 -8.482 5.241 -6.330 499 HG23 ILE 62 3HG2 ILE 62 -8.825 4.807 -4.639 500 HD11 ILE 62 1HD1 ILE 62 -7.530 2.763 -5.803 501 HD12 ILE 62 2HD1 ILE 62 -7.256 2.922 -7.554 502 HD13 ILE 62 3HD1 ILE 62 -6.008 2.184 -6.521 503 H LEU 63 H LEU 63 -5.914 5.269 -2.258 504 HA LEU 63 HA LEU 63 -7.796 6.974 -1.132 505 HB2 LEU 63 1HB LEU 63 -7.477 5.770 0.725 506 HB3 LEU 63 2HB LEU 63 -6.637 4.703 -0.383 507 HG LEU 63 HG LEU 63 -4.490 5.926 0.283 508 HD11 LEU 63 1HD1 LEU 63 -4.497 7.583 1.766 509 HD12 LEU 63 2HD1 LEU 63 -6.270 7.614 1.607 510 HD13 LEU 63 3HD1 LEU 63 -5.509 6.659 2.902 511 HD21 LEU 63 1HD2 LEU 63 -4.368 4.648 2.486 512 HD22 LEU 63 2HD2 LEU 63 -6.051 4.161 2.170 513 HD23 LEU 63 3HD2 LEU 63 -4.764 3.712 1.025 514 H THR 64 H THR 64 -4.201 7.183 -1.336 515 HA THR 64 HA THR 64 -3.923 9.442 0.286 516 HB THR 64 HB THR 64 -2.294 8.317 -2.050 517 HG1 THR 64 1HG THR 64 -1.232 7.328 -0.235 518 HG21 THR 64 1HG2 THR 64 -0.433 9.630 -1.279 519 HG22 THR 64 2HG2 THR 64 -1.781 10.788 -1.375 520 HG23 THR 64 3HG2 THR 64 -1.294 10.118 0.200 521 HA PRO 65 HA PRO 65 -5.485 12.610 -2.161 522 HB2 PRO 65 1HB PRO 65 -4.379 14.767 -0.899 523 HB3 PRO 65 2HB PRO 65 -5.816 13.949 -0.318 524 HG2 PRO 65 1HG PRO 65 -3.058 13.826 0.739 525 HG3 PRO 65 2HG PRO 65 -4.556 13.376 1.528 526 HD2 PRO 65 1HD PRO 65 -2.612 11.597 0.395 527 HD3 PRO 65 2HD PRO 65 -4.164 11.156 1.080 528 H GLU 66 H GLU 66 -4.398 15.066 -2.845 529 HA GLU 66 HA GLU 66 -3.346 15.780 -4.644 530 HB2 GLU 66 1HB GLU 66 -1.457 15.115 -2.535 531 HB3 GLU 66 2HB GLU 66 -0.665 14.987 -4.092 532 HG2 GLU 66 1HG GLU 66 -2.056 17.329 -4.453 533 HG3 GLU 66 2HG GLU 66 -1.784 17.398 -2.723 534 H VAL 67 H VAL 67 -4.331 14.291 -6.201 535 HA VAL 67 HA VAL 67 -2.313 12.514 -7.343 536 HB VAL 67 HB VAL 67 -5.126 11.792 -6.541 537 HG11 VAL 67 1HG1 VAL 67 -4.840 9.692 -7.836 538 HG12 VAL 67 2HG1 VAL 67 -4.918 11.137 -8.871 539 HG13 VAL 67 3HG1 VAL 67 -3.351 10.359 -8.546 540 HG21 VAL 67 1HG2 VAL 67 -4.191 10.315 -5.096 541 HG22 VAL 67 2HG2 VAL 67 -2.840 9.931 -6.189 542 HG23 VAL 67 3HG2 VAL 67 -2.797 11.417 -5.211 543 H ASN 68 H ASN 68 -1.892 13.606 -9.212 544 HA ASN 68 HA ASN 68 -3.423 15.386 -10.458 545 HB2 ASN 68 1HB ASN 68 -1.260 13.520 -11.276 546 HB3 ASN 68 2HB ASN 68 -2.268 14.018 -12.620 547 HD21 ASN 68 1HD2 ASN 68 -0.470 15.128 -13.465 548 HD22 ASN 68 2HD2 ASN 68 0.008 16.686 -12.880 549 H LYS 69 H LYS 69 -5.290 15.349 -11.776 550 HA LYS 69 HA LYS 69 -7.037 13.279 -11.730 551 HB2 LYS 69 1HB LYS 69 -7.135 15.799 -12.620 552 HB3 LYS 69 2HB LYS 69 -6.995 14.998 -14.172 553 HG2 LYS 69 1HG LYS 69 -8.898 13.526 -12.562 554 HG3 LYS 69 2HG LYS 69 -9.323 15.225 -12.498 555 HD2 LYS 69 1HD LYS 69 -9.111 15.271 -15.056 556 HD3 LYS 69 2HD LYS 69 -8.947 13.527 -15.006 557 HE2 LYS 69 1HE LYS 69 -11.186 13.732 -13.505 558 HE3 LYS 69 2HE LYS 69 -11.360 15.229 -14.400 559 HZ1 LYS 69 1HZ LYS 69 -12.393 13.452 -15.572 560 HZ2 LYS 69 2HZ LYS 69 -11.094 13.935 -16.435 561 HZ3 LYS 69 3HZ LYS 69 -11.030 12.553 -15.568 562 H GLY 70 H GLY 70 -7.604 11.527 -13.083 563 HA2 GLY 70 1HA GLY 70 -5.379 10.272 -14.374 564 HA3 GLY 70 2HA GLY 70 -7.021 9.673 -14.241 565 H SER 71 H SER 71 -7.810 9.245 -16.257 566 HA SER 71 HA SER 71 -7.368 11.327 -18.251 567 HB2 SER 71 1HB SER 71 -6.150 8.987 -18.501 568 HB3 SER 71 2HB SER 71 -7.726 8.423 -19.021 569 HG SER 71 HG SER 71 -6.331 10.682 -20.184 570 H GLY 72 H GLY 72 -9.361 8.331 -17.656 571 HA2 GLY 72 1HA GLY 72 -11.802 9.435 -17.253 572 HA3 GLY 72 2HA GLY 72 -11.639 9.484 -18.997 573 HA PRO 73 HA PRO 73 -12.746 5.208 -17.477 574 HB2 PRO 73 1HB PRO 73 -15.479 5.239 -17.457 575 HB3 PRO 73 2HB PRO 73 -14.508 5.440 -16.012 576 HG2 PRO 73 1HG PRO 73 -16.002 7.483 -17.539 577 HG3 PRO 73 2HG PRO 73 -15.392 7.567 -15.898 578 HD2 PRO 73 1HD PRO 73 -14.254 8.813 -18.218 579 HD3 PRO 73 2HD PRO 73 -13.583 8.799 -16.599 580 H SER 74 H SER 74 -14.281 3.508 -18.628 581 HA SER 74 HA SER 74 -14.706 2.515 -20.510 582 HB2 SER 74 1HB SER 74 -15.308 5.354 -21.435 583 HB3 SER 74 2HB SER 74 -15.609 3.951 -22.441 584 HG SER 74 HG SER 74 -17.066 3.131 -20.835 585 H SER 75 H SER 75 -13.818 1.982 -22.694 586 HA SER 75 HA SER 75 -11.904 3.524 -23.929 587 HB2 SER 75 1HB SER 75 -9.836 2.178 -23.349 588 HB3 SER 75 2HB SER 75 -10.423 3.207 -22.057 589 HG SER 75 HG SER 75 -11.181 0.427 -22.271 590 H GLY 76 H GLY 76 -13.234 2.698 -25.675 591 HA2 GLY 76 1HA GLY 76 -12.249 0.590 -27.115 592 HA3 GLY 76 2HA GLY 76 -13.500 -0.120 -26.115 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -41.566 15.584 -39.173 2 HA2 GLY 1 1HA GLY 1 -39.679 17.364 -39.961 3 HA3 GLY 1 2HA GLY 1 -41.114 17.921 -40.798 4 H SER 2 H SER 2 -39.414 18.858 -38.321 5 HA SER 2 HA SER 2 -41.467 20.135 -37.034 6 HB2 SER 2 1HB SER 2 -40.792 17.457 -35.899 7 HB3 SER 2 2HB SER 2 -40.890 18.760 -34.732 8 HG SER 2 HG SER 2 -43.036 19.103 -35.207 9 H SER 3 H SER 3 -40.631 21.398 -35.092 10 HA SER 3 HA SER 3 -37.941 21.187 -34.379 11 HB2 SER 3 1HB SER 3 -37.582 22.110 -36.660 12 HB3 SER 3 2HB SER 3 -38.625 23.468 -36.287 13 HG SER 3 HG SER 3 -36.524 24.188 -35.941 14 H GLY 4 H GLY 4 -37.290 23.238 -33.015 15 HA2 GLY 4 1HA GLY 4 -38.633 25.292 -32.154 16 HA3 GLY 4 2HA GLY 4 -39.680 24.042 -31.513 17 H SER 5 H SER 5 -37.787 26.100 -30.216 18 HA SER 5 HA SER 5 -37.007 24.483 -28.111 19 HB2 SER 5 1HB SER 5 -35.227 23.714 -29.657 20 HB3 SER 5 2HB SER 5 -34.719 25.370 -29.924 21 HG SER 5 HG SER 5 -33.917 23.690 -27.975 22 H SER 6 H SER 6 -35.586 25.835 -26.494 23 HA SER 6 HA SER 6 -35.275 28.560 -26.973 24 HB2 SER 6 1HB SER 6 -37.927 28.010 -26.550 25 HB3 SER 6 2HB SER 6 -37.403 28.266 -24.898 26 HG SER 6 HG SER 6 -36.513 30.345 -25.574 27 H GLY 7 H GLY 7 -34.193 29.598 -25.159 28 HA2 GLY 7 1HA GLY 7 -33.683 29.485 -22.779 29 HA3 GLY 7 2HA GLY 7 -33.550 27.745 -22.942 30 H THR 8 H THR 8 -31.468 29.510 -21.934 31 HA THR 8 HA THR 8 -29.471 29.195 -24.079 32 HB THR 8 HB THR 8 -28.317 31.120 -22.823 33 HG1 THR 8 1HG THR 8 -29.381 31.219 -20.848 34 HG21 THR 8 1HG2 THR 8 -29.828 32.895 -23.648 35 HG22 THR 8 2HG2 THR 8 -29.748 31.591 -24.857 36 HG23 THR 8 3HG2 THR 8 -31.163 31.726 -23.784 37 H SER 9 H SER 9 -29.851 26.884 -22.939 38 HA SER 9 HA SER 9 -27.438 26.423 -21.642 39 HB2 SER 9 1HB SER 9 -28.199 25.741 -19.415 40 HB3 SER 9 2HB SER 9 -28.613 27.422 -19.690 41 HG SER 9 HG SER 9 -30.628 25.681 -20.526 42 H SER 10 H SER 10 -26.914 24.244 -21.936 43 HA SER 10 HA SER 10 -28.848 22.234 -21.909 44 HB2 SER 10 1HB SER 10 -29.576 23.061 -24.061 45 HB3 SER 10 2HB SER 10 -27.929 23.214 -24.639 46 HG SER 10 HG SER 10 -29.239 20.719 -23.960 47 H ASN 11 H ASN 11 -27.270 21.268 -20.525 48 HA ASN 11 HA ASN 11 -25.261 19.858 -21.933 49 HB2 ASN 11 1HB ASN 11 -24.542 22.166 -20.101 50 HB3 ASN 11 2HB ASN 11 -23.499 20.758 -20.115 51 HD21 ASN 11 1HD2 ASN 11 -24.417 23.627 -21.668 52 HD22 ASN 11 2HD2 ASN 11 -23.445 23.511 -23.097 53 HA PRO 12 HA PRO 12 -26.826 17.692 -18.329 54 HB2 PRO 12 1HB PRO 12 -26.663 15.171 -19.370 55 HB3 PRO 12 2HB PRO 12 -28.079 16.189 -19.542 56 HG2 PRO 12 1HG PRO 12 -26.020 15.522 -21.556 57 HG3 PRO 12 2HG PRO 12 -27.631 16.166 -21.805 58 HD2 PRO 12 1HD PRO 12 -25.162 17.619 -21.939 59 HD3 PRO 12 2HD PRO 12 -26.777 18.284 -22.073 60 H VAL 13 H VAL 13 -24.015 16.718 -20.194 61 HA VAL 13 HA VAL 13 -22.119 15.744 -19.535 62 HB VAL 13 HB VAL 13 -21.834 18.121 -18.993 63 HG11 VAL 13 1HG1 VAL 13 -22.842 17.266 -16.268 64 HG12 VAL 13 2HG1 VAL 13 -21.907 18.758 -16.530 65 HG13 VAL 13 3HG1 VAL 13 -23.481 18.541 -17.334 66 HG21 VAL 13 1HG2 VAL 13 -20.056 16.307 -18.594 67 HG22 VAL 13 2HG2 VAL 13 -19.817 17.883 -17.802 68 HG23 VAL 13 3HG2 VAL 13 -20.428 16.500 -16.864 69 H LEU 14 H LEU 14 -24.244 14.124 -18.813 70 HA LEU 14 HA LEU 14 -23.175 12.959 -16.369 71 HB2 LEU 14 1HB LEU 14 -25.405 14.498 -16.211 72 HB3 LEU 14 2HB LEU 14 -26.121 12.938 -16.562 73 HG LEU 14 HG LEU 14 -26.087 13.219 -14.196 74 HD11 LEU 14 1HD1 LEU 14 -23.762 11.369 -14.739 75 HD12 LEU 14 2HD1 LEU 14 -25.026 11.238 -13.493 76 HD13 LEU 14 3HD1 LEU 14 -25.434 10.974 -15.205 77 HD21 LEU 14 1HD2 LEU 14 -24.033 13.620 -12.907 78 HD22 LEU 14 2HD2 LEU 14 -23.118 13.788 -14.425 79 HD23 LEU 14 3HD2 LEU 14 -24.397 14.960 -14.022 80 H GLU 15 H GLU 15 -22.202 11.709 -18.252 81 HA GLU 15 HA GLU 15 -23.762 9.370 -18.569 82 HB2 GLU 15 1HB GLU 15 -24.473 11.079 -20.455 83 HB3 GLU 15 2HB GLU 15 -22.944 10.641 -21.192 84 HG2 GLU 15 1HG GLU 15 -23.759 8.640 -21.897 85 HG3 GLU 15 2HG GLU 15 -24.342 8.238 -20.293 86 H LEU 16 H LEU 16 -21.988 8.367 -17.515 87 HA LEU 16 HA LEU 16 -19.921 7.511 -19.204 88 HB2 LEU 16 1HB LEU 16 -18.532 9.231 -19.065 89 HB3 LEU 16 2HB LEU 16 -19.433 9.981 -17.763 90 HG LEU 16 HG LEU 16 -18.293 8.294 -16.202 91 HD11 LEU 16 1HD1 LEU 16 -17.394 6.649 -17.567 92 HD12 LEU 16 2HD1 LEU 16 -16.759 7.822 -18.745 93 HD13 LEU 16 3HD1 LEU 16 -15.973 7.640 -17.158 94 HD21 LEU 16 1HD2 LEU 16 -17.704 10.836 -16.836 95 HD22 LEU 16 2HD2 LEU 16 -16.779 9.882 -15.653 96 HD23 LEU 16 3HD2 LEU 16 -16.181 10.054 -17.320 97 H GLU 17 H GLU 17 -19.548 5.472 -18.526 98 HA GLU 17 HA GLU 17 -19.010 4.892 -15.858 99 HB2 GLU 17 1HB GLU 17 -20.994 3.481 -15.326 100 HB3 GLU 17 2HB GLU 17 -21.412 5.174 -15.491 101 HG2 GLU 17 1HG GLU 17 -22.081 4.712 -17.901 102 HG3 GLU 17 2HG GLU 17 -21.796 3.008 -17.609 103 H LEU 18 H LEU 18 -18.001 2.858 -15.706 104 HA LEU 18 HA LEU 18 -18.433 0.919 -17.783 105 HB2 LEU 18 1HB LEU 18 -16.314 2.842 -18.014 106 HB3 LEU 18 2HB LEU 18 -15.625 1.250 -17.760 107 HG LEU 18 HG LEU 18 -17.738 1.721 -19.861 108 HD11 LEU 18 1HD1 LEU 18 -16.365 2.994 -21.050 109 HD12 LEU 18 2HD1 LEU 18 -15.076 2.824 -19.833 110 HD13 LEU 18 3HD1 LEU 18 -15.231 1.624 -21.138 111 HD21 LEU 18 1HD2 LEU 18 -17.277 -0.599 -19.234 112 HD22 LEU 18 2HD2 LEU 18 -16.756 -0.258 -20.901 113 HD23 LEU 18 3HD2 LEU 18 -15.551 -0.360 -19.595 114 H ALA 19 H ALA 19 -16.740 -0.990 -17.350 115 HA ALA 19 HA ALA 19 -16.022 -1.143 -14.550 116 HB1 ALA 19 1HB ALA 19 -18.545 -2.008 -15.310 117 HB2 ALA 19 2HB ALA 19 -17.575 -3.498 -15.395 118 HB3 ALA 19 3HB ALA 19 -17.646 -2.568 -13.879 119 H GLU 20 H GLU 20 -13.996 -0.975 -16.002 120 HA GLU 20 HA GLU 20 -12.860 -3.504 -16.108 121 HB2 GLU 20 1HB GLU 20 -14.284 -3.664 -18.186 122 HB3 GLU 20 2HB GLU 20 -13.406 -2.305 -18.859 123 HG2 GLU 20 1HG GLU 20 -11.248 -3.670 -18.464 124 HG3 GLU 20 2HG GLU 20 -12.284 -5.041 -18.120 125 H GLU 21 H GLU 21 -11.859 -1.583 -14.707 126 HA GLU 21 HA GLU 21 -10.058 -0.045 -16.383 127 HB2 GLU 21 1HB GLU 21 -11.364 0.370 -13.773 128 HB3 GLU 21 2HB GLU 21 -9.656 0.757 -13.730 129 HG2 GLU 21 1HG GLU 21 -9.888 2.304 -15.616 130 HG3 GLU 21 2HG GLU 21 -11.547 1.807 -15.884 131 H LYS 22 H LYS 22 -9.647 -2.904 -16.111 132 HA LYS 22 HA LYS 22 -7.530 -3.191 -14.162 133 HB2 LYS 22 1HB LYS 22 -7.590 -5.509 -14.695 134 HB3 LYS 22 2HB LYS 22 -9.250 -4.963 -14.582 135 HG2 LYS 22 1HG LYS 22 -9.100 -4.592 -17.170 136 HG3 LYS 22 2HG LYS 22 -7.648 -5.570 -17.095 137 HD2 LYS 22 1HD LYS 22 -10.152 -6.607 -15.757 138 HD3 LYS 22 2HD LYS 22 -10.045 -6.688 -17.504 139 HE2 LYS 22 1HE LYS 22 -8.140 -8.124 -17.450 140 HE3 LYS 22 2HE LYS 22 -7.748 -7.701 -15.795 141 HZ1 LYS 22 1HZ LYS 22 -8.766 -9.709 -15.567 142 HZ2 LYS 22 2HZ LYS 22 -10.045 -8.722 -15.326 143 HZ3 LYS 22 3HZ LYS 22 -9.846 -9.465 -16.767 144 H LEU 23 H LEU 23 -5.334 -3.332 -14.606 145 HA LEU 23 HA LEU 23 -4.494 -3.319 -17.371 146 HB2 LEU 23 1HB LEU 23 -4.389 -0.935 -15.604 147 HB3 LEU 23 2HB LEU 23 -2.966 -1.272 -16.569 148 HG LEU 23 HG LEU 23 -5.542 -1.352 -18.035 149 HD11 LEU 23 1HD1 LEU 23 -4.525 1.145 -16.693 150 HD12 LEU 23 2HD1 LEU 23 -5.418 1.218 -18.231 151 HD13 LEU 23 3HD1 LEU 23 -6.185 0.508 -16.790 152 HD21 LEU 23 1HD2 LEU 23 -4.223 -0.202 -19.744 153 HD22 LEU 23 2HD2 LEU 23 -2.858 -0.064 -18.610 154 HD23 LEU 23 3HD2 LEU 23 -3.397 -1.668 -19.163 155 HA PRO 24 HA PRO 24 -1.126 -5.386 -15.635 156 HB2 PRO 24 1HB PRO 24 0.968 -4.739 -17.268 157 HB3 PRO 24 2HB PRO 24 -0.249 -5.926 -17.695 158 HG2 PRO 24 1HG PRO 24 0.081 -3.165 -18.699 159 HG3 PRO 24 2HG PRO 24 -0.834 -4.485 -19.398 160 HD2 PRO 24 1HD PRO 24 -1.888 -2.244 -17.951 161 HD3 PRO 24 2HD PRO 24 -2.789 -3.623 -18.550 162 H MET 25 H MET 25 1.329 -5.220 -14.927 163 HA MET 25 HA MET 25 1.295 -3.457 -12.839 164 HB2 MET 25 1HB MET 25 3.140 -5.336 -14.114 165 HB3 MET 25 2HB MET 25 4.033 -3.915 -13.611 166 HG2 MET 25 1HG MET 25 2.842 -4.163 -11.315 167 HG3 MET 25 2HG MET 25 2.328 -5.745 -11.867 168 HE1 MET 25 1HE MET 25 5.208 -4.423 -9.573 169 HE2 MET 25 2HE MET 25 3.651 -5.274 -9.439 170 HE3 MET 25 3HE MET 25 5.175 -6.177 -9.273 171 H THR 26 H THR 26 0.849 -1.285 -13.294 172 HA THR 26 HA THR 26 2.252 0.069 -15.404 173 HB THR 26 HB THR 26 0.862 1.972 -14.639 174 HG1 THR 26 1HG THR 26 -0.041 1.824 -12.559 175 HG21 THR 26 1HG2 THR 26 -0.905 -0.449 -14.140 176 HG22 THR 26 2HG2 THR 26 -1.306 1.066 -14.985 177 HG23 THR 26 3HG2 THR 26 -0.266 -0.145 -15.773 178 H LEU 27 H LEU 27 2.458 -0.138 -11.825 179 HA LEU 27 HA LEU 27 4.819 1.591 -11.989 180 HB2 LEU 27 1HB LEU 27 3.238 0.790 -9.545 181 HB3 LEU 27 2HB LEU 27 4.523 1.979 -9.634 182 HG LEU 27 HG LEU 27 1.983 2.300 -11.231 183 HD11 LEU 27 1HD1 LEU 27 1.027 3.622 -9.433 184 HD12 LEU 27 2HD1 LEU 27 1.345 1.961 -8.877 185 HD13 LEU 27 3HD1 LEU 27 2.437 3.284 -8.401 186 HD21 LEU 27 1HD2 LEU 27 2.564 4.647 -11.228 187 HD22 LEU 27 2HD2 LEU 27 3.956 4.337 -10.163 188 HD23 LEU 27 3HD2 LEU 27 3.942 3.689 -11.821 189 H SER 28 H SER 28 6.840 0.864 -11.315 190 HA SER 28 HA SER 28 7.033 -1.997 -11.197 191 HB2 SER 28 1HB SER 28 9.439 -1.638 -11.468 192 HB3 SER 28 2HB SER 28 8.567 -0.666 -12.637 193 HG SER 28 HG SER 28 8.893 1.201 -11.330 194 H ARG 29 H ARG 29 8.520 -3.027 -9.510 195 HA ARG 29 HA ARG 29 7.625 -2.821 -7.066 196 HB2 ARG 29 1HB ARG 29 10.255 -3.313 -6.446 197 HB3 ARG 29 2HB ARG 29 9.182 -4.517 -7.131 198 HG2 ARG 29 1HG ARG 29 10.178 -4.430 -9.216 199 HG3 ARG 29 2HG ARG 29 10.485 -2.707 -9.120 200 HD2 ARG 29 1HD ARG 29 12.639 -3.126 -8.542 201 HD3 ARG 29 2HD ARG 29 12.092 -3.926 -7.082 202 HE ARG 29 HE ARG 29 13.053 -5.218 -9.498 203 HH11 ARG 29 2HH2 ARG 29 10.850 -5.621 -6.784 204 HH12 ARG 29 1HH2 ARG 29 10.880 -7.351 -6.851 205 HH21 ARG 29 2HH1 ARG 29 13.094 -7.501 -9.586 206 HH22 ARG 29 1HH1 ARG 29 12.166 -8.428 -8.456 207 H GLN 30 H GLN 30 10.679 -1.102 -8.087 208 HA GLN 30 HA GLN 30 11.082 0.313 -5.829 209 HB2 GLN 30 1HB GLN 30 12.617 0.220 -7.794 210 HB3 GLN 30 2HB GLN 30 11.542 1.276 -8.687 211 HG2 GLN 30 1HG GLN 30 12.223 2.382 -6.039 212 HG3 GLN 30 2HG GLN 30 13.651 2.083 -7.011 213 HE21 GLN 30 1HE2 GLN 30 13.677 4.484 -6.770 214 HE22 GLN 30 2HE2 GLN 30 12.898 5.439 -7.987 215 H GLU 31 H GLU 31 9.310 1.539 -8.768 216 HA GLU 31 HA GLU 31 8.533 3.916 -7.796 217 HB2 GLU 31 1HB GLU 31 8.050 2.573 -10.078 218 HB3 GLU 31 2HB GLU 31 6.485 2.332 -9.327 219 HG2 GLU 31 1HG GLU 31 6.504 4.386 -10.726 220 HG3 GLU 31 2HG GLU 31 6.194 4.768 -9.044 221 H VAL 32 H VAL 32 7.399 0.715 -6.835 222 HA VAL 32 HA VAL 32 5.104 1.824 -5.449 223 HB VAL 32 HB VAL 32 6.186 -0.955 -5.897 224 HG11 VAL 32 1HG1 VAL 32 5.088 -1.727 -4.119 225 HG12 VAL 32 2HG1 VAL 32 4.601 -0.070 -3.688 226 HG13 VAL 32 3HG1 VAL 32 3.571 -1.051 -4.758 227 HG21 VAL 32 1HG2 VAL 32 3.427 -0.050 -6.634 228 HG22 VAL 32 2HG2 VAL 32 4.799 0.501 -7.624 229 HG23 VAL 32 3HG2 VAL 32 4.490 -1.240 -7.423 230 H ILE 33 H ILE 33 8.406 0.606 -4.862 231 HA ILE 33 HA ILE 33 8.097 0.446 -2.046 232 HB ILE 33 HB ILE 33 10.414 0.407 -3.954 233 HG12 ILE 33 1HG1 ILE 33 9.391 -1.667 -1.995 234 HG13 ILE 33 2HG1 ILE 33 8.903 -1.581 -3.676 235 HG21 ILE 33 1HG2 ILE 33 11.411 -0.339 -1.452 236 HG22 ILE 33 2HG2 ILE 33 11.805 1.128 -2.380 237 HG23 ILE 33 3HG2 ILE 33 10.510 1.168 -1.159 238 HD11 ILE 33 1HD1 ILE 33 10.896 -3.153 -3.023 239 HD12 ILE 33 2HD1 ILE 33 11.057 -2.138 -4.477 240 HD13 ILE 33 3HD1 ILE 33 11.848 -1.650 -2.959 241 H ARG 34 H ARG 34 9.135 2.961 -4.383 242 HA ARG 34 HA ARG 34 10.255 4.704 -2.625 243 HB2 ARG 34 1HB ARG 34 9.723 4.733 -5.302 244 HB3 ARG 34 2HB ARG 34 8.487 5.855 -4.770 245 HG2 ARG 34 1HG ARG 34 10.298 7.141 -3.515 246 HG3 ARG 34 2HG ARG 34 11.488 6.083 -4.249 247 HD2 ARG 34 1HD ARG 34 10.233 6.810 -6.517 248 HD3 ARG 34 2HD ARG 34 9.764 8.194 -5.551 249 HE ARG 34 HE ARG 34 12.563 7.773 -5.177 250 HH11 ARG 34 2HH2 ARG 34 10.319 8.773 -7.696 251 HH12 ARG 34 1HH2 ARG 34 11.486 9.749 -8.525 252 HH21 ARG 34 2HH1 ARG 34 14.103 9.060 -6.271 253 HH22 ARG 34 1HH1 ARG 34 13.652 9.913 -7.709 254 H ARG 35 H ARG 35 6.889 5.062 -3.982 255 HA ARG 35 HA ARG 35 6.026 6.945 -2.284 256 HB2 ARG 35 1HB ARG 35 4.484 4.585 -3.467 257 HB3 ARG 35 2HB ARG 35 3.694 5.939 -2.684 258 HG2 ARG 35 1HG ARG 35 4.208 7.426 -4.402 259 HG3 ARG 35 2HG ARG 35 5.703 6.610 -4.815 260 HD2 ARG 35 1HD ARG 35 4.545 4.861 -6.011 261 HD3 ARG 35 2HD ARG 35 2.995 5.308 -5.326 262 HE ARG 35 HE ARG 35 4.303 7.434 -6.896 263 HH11 ARG 35 2HH2 ARG 35 2.039 4.740 -6.925 264 HH12 ARG 35 1HH2 ARG 35 1.221 5.276 -8.354 265 HH21 ARG 35 2HH1 ARG 35 3.223 8.142 -8.781 266 HH22 ARG 35 1HH1 ARG 35 1.899 7.225 -9.417 267 H LEU 36 H LEU 36 5.351 3.379 -1.889 268 HA LEU 36 HA LEU 36 4.163 3.359 0.506 269 HB2 LEU 36 1HB LEU 36 6.242 1.477 -0.601 270 HB3 LEU 36 2HB LEU 36 5.344 1.148 0.868 271 HG LEU 36 HG LEU 36 4.124 1.563 -1.876 272 HD11 LEU 36 1HD1 LEU 36 5.490 -0.540 -1.543 273 HD12 LEU 36 2HD1 LEU 36 4.295 -1.020 -0.315 274 HD13 LEU 36 3HD1 LEU 36 3.787 -0.777 -2.003 275 HD21 LEU 36 1HD2 LEU 36 2.043 0.722 -0.804 276 HD22 LEU 36 2HD2 LEU 36 2.857 0.829 0.775 277 HD23 LEU 36 3HD2 LEU 36 2.582 2.301 -0.186 278 H ARG 37 H ARG 37 7.770 3.273 0.057 279 HA ARG 37 HA ARG 37 8.480 3.302 2.635 280 HB2 ARG 37 1HB ARG 37 9.673 4.318 0.097 281 HB3 ARG 37 2HB ARG 37 10.355 5.034 1.543 282 HG2 ARG 37 1HG ARG 37 10.300 2.399 2.306 283 HG3 ARG 37 2HG ARG 37 10.496 2.206 0.576 284 HD2 ARG 37 1HD ARG 37 12.510 3.623 0.587 285 HD3 ARG 37 2HD ARG 37 12.271 4.022 2.277 286 HE ARG 37 HE ARG 37 12.458 1.138 1.786 287 HH11 ARG 37 2HH2 ARG 37 14.279 4.081 2.422 288 HH12 ARG 37 1HH2 ARG 37 15.653 3.245 3.063 289 HH21 ARG 37 2HH1 ARG 37 14.272 0.033 2.631 290 HH22 ARG 37 1HH1 ARG 37 15.649 0.927 3.182 291 H GLU 38 H GLU 38 8.043 6.271 0.561 292 HA GLU 38 HA GLU 38 8.410 8.088 2.572 293 HB2 GLU 38 1HB GLU 38 7.151 8.085 -0.131 294 HB3 GLU 38 2HB GLU 38 6.642 9.391 0.921 295 HG2 GLU 38 1HG GLU 38 9.519 9.064 1.154 296 HG3 GLU 38 2HG GLU 38 9.097 9.167 -0.543 297 H ARG 39 H ARG 39 5.547 6.161 1.679 298 HA ARG 39 HA ARG 39 3.798 7.702 3.276 299 HB2 ARG 39 1HB ARG 39 3.471 4.872 2.156 300 HB3 ARG 39 2HB ARG 39 2.174 5.849 2.814 301 HG2 ARG 39 1HG ARG 39 3.705 7.299 0.752 302 HG3 ARG 39 2HG ARG 39 3.029 5.805 0.134 303 HD2 ARG 39 1HD ARG 39 0.954 6.723 0.056 304 HD3 ARG 39 2HD ARG 39 1.015 7.097 1.767 305 HE ARG 39 HE ARG 39 2.559 8.953 0.090 306 HH11 ARG 39 2HH2 ARG 39 -0.576 8.262 1.532 307 HH12 ARG 39 1HH2 ARG 39 -1.113 9.907 1.464 308 HH21 ARG 39 2HH1 ARG 39 1.851 11.124 0.000 309 HH22 ARG 39 1HH1 ARG 39 0.277 11.546 0.587 310 H GLY 40 H GLY 40 6.259 5.427 3.939 311 HA2 GLY 40 1HA GLY 40 6.943 4.698 5.995 312 HA3 GLY 40 2HA GLY 40 5.419 5.198 6.701 313 H GLU 41 H GLU 41 4.706 3.497 3.857 314 HA GLU 41 HA GLU 41 3.771 1.296 5.376 315 HB2 GLU 41 1HB GLU 41 3.807 1.622 2.346 316 HB3 GLU 41 2HB GLU 41 2.787 0.537 3.268 317 HG2 GLU 41 1HG GLU 41 2.686 3.484 3.920 318 HG3 GLU 41 2HG GLU 41 1.898 2.934 2.454 319 HA PRO 42 HA PRO 42 7.036 -1.465 4.643 320 HB2 PRO 42 1HB PRO 42 5.786 -3.895 4.615 321 HB3 PRO 42 2HB PRO 42 6.167 -3.030 6.091 322 HG2 PRO 42 1HG PRO 42 3.548 -3.361 4.760 323 HG3 PRO 42 2HG PRO 42 3.887 -2.883 6.412 324 HD2 PRO 42 1HD PRO 42 3.090 -1.165 4.258 325 HD3 PRO 42 2HD PRO 42 3.541 -0.674 5.878 326 H ILE 43 H ILE 43 8.319 -1.622 2.926 327 HA ILE 43 HA ILE 43 7.321 -1.511 0.373 328 HB ILE 43 HB ILE 43 9.620 -2.521 -0.205 329 HG12 ILE 43 1HG1 ILE 43 10.677 -1.828 2.417 330 HG13 ILE 43 2HG1 ILE 43 9.572 -3.185 2.515 331 HG21 ILE 43 1HG2 ILE 43 9.238 -0.191 -0.432 332 HG22 ILE 43 2HG2 ILE 43 9.229 0.053 1.331 333 HG23 ILE 43 3HG2 ILE 43 10.744 -0.374 0.500 334 HD11 ILE 43 1HD1 ILE 43 11.854 -3.003 0.496 335 HD12 ILE 43 2HD1 ILE 43 11.959 -3.858 2.054 336 HD13 ILE 43 3HD1 ILE 43 10.817 -4.416 0.807 337 H ARG 44 H ARG 44 7.981 -4.353 2.465 338 HA ARG 44 HA ARG 44 6.479 -5.893 0.519 339 HB2 ARG 44 1HB ARG 44 8.841 -6.491 0.170 340 HB3 ARG 44 2HB ARG 44 9.081 -6.734 1.888 341 HG2 ARG 44 1HG ARG 44 8.796 -8.930 0.979 342 HG3 ARG 44 2HG ARG 44 7.278 -8.563 1.773 343 HD2 ARG 44 1HD ARG 44 6.100 -8.462 -0.212 344 HD3 ARG 44 2HD ARG 44 7.422 -7.712 -1.085 345 HE ARG 44 HE ARG 44 7.888 -10.524 -0.331 346 HH11 ARG 44 2HH2 ARG 44 6.725 -8.307 -2.804 347 HH12 ARG 44 1HH2 ARG 44 6.918 -9.444 -4.096 348 HH21 ARG 44 2HH1 ARG 44 8.144 -12.025 -2.035 349 HH22 ARG 44 1HH1 ARG 44 7.731 -11.573 -3.655 350 H LEU 45 H LEU 45 4.855 -7.127 1.477 351 HA LEU 45 HA LEU 45 4.811 -7.108 4.399 352 HB2 LEU 45 1HB LEU 45 2.802 -6.976 2.252 353 HB3 LEU 45 2HB LEU 45 2.369 -8.023 3.589 354 HG LEU 45 HG LEU 45 3.199 -5.124 3.893 355 HD11 LEU 45 1HD1 LEU 45 0.716 -4.827 4.427 356 HD12 LEU 45 2HD1 LEU 45 1.172 -5.023 2.717 357 HD13 LEU 45 3HD1 LEU 45 0.476 -6.393 3.615 358 HD21 LEU 45 1HD2 LEU 45 2.763 -7.289 5.784 359 HD22 LEU 45 2HD2 LEU 45 3.450 -5.666 6.036 360 HD23 LEU 45 3HD2 LEU 45 1.687 -5.906 6.095 361 H PHE 46 H PHE 46 3.701 -9.161 5.371 362 HA PHE 46 HA PHE 46 5.388 -11.318 4.799 363 HB2 PHE 46 1HB PHE 46 3.010 -10.606 6.494 364 HB3 PHE 46 2HB PHE 46 3.175 -12.324 6.187 365 HD1 PHE 46 2HD PHE 46 5.291 -13.490 6.878 366 HD2 PHE 46 1HD PHE 46 4.421 -9.504 8.045 367 HE1 PHE 46 2HE PHE 46 6.992 -13.657 8.717 368 HE2 PHE 46 1HE PHE 46 6.121 -9.671 9.883 369 HZ PHE 46 HZ PHE 46 7.386 -11.745 10.197 370 H GLY 47 H GLY 47 5.315 -12.363 2.842 371 HA2 GLY 47 1HA GLY 47 4.413 -14.014 1.506 372 HA3 GLY 47 2HA GLY 47 2.816 -13.700 2.156 373 H GLU 48 H GLU 48 3.267 -10.669 1.786 374 HA GLU 48 HA GLU 48 1.875 -10.322 -0.478 375 HB2 GLU 48 1HB GLU 48 3.422 -8.664 1.331 376 HB3 GLU 48 2HB GLU 48 3.645 -8.084 -0.307 377 HG2 GLU 48 1HG GLU 48 1.700 -6.936 0.326 378 HG3 GLU 48 2HG GLU 48 1.025 -8.326 -0.501 379 H THR 49 H THR 49 2.271 -10.967 -2.548 380 HA THR 49 HA THR 49 4.959 -11.470 -3.414 381 HB THR 49 HB THR 49 2.713 -12.727 -3.965 382 HG1 THR 49 1HG THR 49 4.451 -11.791 -6.130 383 HG21 THR 49 1HG2 THR 49 1.494 -10.700 -4.855 384 HG22 THR 49 2HG2 THR 49 2.741 -10.544 -6.116 385 HG23 THR 49 3HG2 THR 49 1.679 -11.972 -6.085 386 H ASP 50 H ASP 50 5.868 -10.573 -5.446 387 HA ASP 50 HA ASP 50 6.377 -7.988 -5.273 388 HB2 ASP 50 1HB ASP 50 7.341 -9.686 -6.914 389 HB3 ASP 50 2HB ASP 50 5.942 -9.421 -7.935 390 H TYR 51 H TYR 51 3.825 -9.455 -7.432 391 HA TYR 51 HA TYR 51 2.768 -7.091 -8.398 392 HB2 TYR 51 1HB TYR 51 2.403 -9.782 -8.726 393 HB3 TYR 51 2HB TYR 51 1.057 -9.496 -7.641 394 HD1 TYR 51 2HD TYR 51 -0.166 -7.049 -8.446 395 HD2 TYR 51 1HD TYR 51 1.686 -10.013 -10.914 396 HE1 TYR 51 2HE TYR 51 -1.589 -6.307 -10.418 397 HE2 TYR 51 1HE TYR 51 0.256 -9.262 -12.877 398 HH TYR 51 HH TYR 51 -2.436 -7.269 -12.487 399 H ASP 52 H ASP 52 2.155 -8.840 -5.326 400 HA ASP 52 HA ASP 52 -0.163 -7.576 -4.617 401 HB2 ASP 52 1HB ASP 52 1.720 -9.318 -3.428 402 HB3 ASP 52 2HB ASP 52 1.676 -7.938 -2.349 403 H ALA 53 H ALA 53 3.265 -6.804 -3.616 404 HA ALA 53 HA ALA 53 2.841 -4.541 -2.193 405 HB1 ALA 53 1HB ALA 53 5.007 -5.927 -3.146 406 HB2 ALA 53 2HB ALA 53 5.133 -4.410 -4.069 407 HB3 ALA 53 3HB ALA 53 5.106 -4.370 -2.289 408 H PHE 54 H PHE 54 3.224 -4.806 -5.791 409 HA PHE 54 HA PHE 54 3.042 -2.122 -6.360 410 HB2 PHE 54 1HB PHE 54 3.613 -3.646 -8.123 411 HB3 PHE 54 2HB PHE 54 2.335 -4.764 -7.692 412 HD1 PHE 54 1HD PHE 54 2.467 -1.160 -8.694 413 HD2 PHE 54 2HD PHE 54 0.754 -4.988 -9.339 414 HE1 PHE 54 1HE PHE 54 1.020 -0.207 -10.510 415 HE2 PHE 54 2HE PHE 54 -0.692 -4.035 -11.155 416 HZ PHE 54 HZ PHE 54 -0.542 -1.655 -11.719 417 H GLN 55 H GLN 55 0.341 -4.558 -6.569 418 HA GLN 55 HA GLN 55 -1.631 -2.747 -7.056 419 HB2 GLN 55 1HB GLN 55 -1.695 -5.422 -5.605 420 HB3 GLN 55 2HB GLN 55 -3.155 -4.535 -5.997 421 HG2 GLN 55 1HG GLN 55 -1.109 -5.085 -8.167 422 HG3 GLN 55 2HG GLN 55 -2.223 -6.350 -7.686 423 HE21 GLN 55 1HE2 GLN 55 -4.407 -6.158 -8.065 424 HE22 GLN 55 2HE2 GLN 55 -5.095 -4.985 -9.139 425 H ARG 56 H ARG 56 -0.343 -3.920 -3.890 426 HA ARG 56 HA ARG 56 -2.157 -2.829 -2.234 427 HB2 ARG 56 1HB ARG 56 0.079 -4.173 -1.787 428 HB3 ARG 56 2HB ARG 56 0.813 -2.590 -1.622 429 HG2 ARG 56 1HG ARG 56 -0.597 -2.006 0.240 430 HG3 ARG 56 2HG ARG 56 -1.703 -3.328 -0.077 431 HD2 ARG 56 1HD ARG 56 1.126 -4.161 0.391 432 HD3 ARG 56 2HD ARG 56 0.344 -3.422 1.774 433 HE ARG 56 HE ARG 56 -0.143 -6.058 0.834 434 HH11 ARG 56 2HH2 ARG 56 -1.988 -3.239 1.850 435 HH12 ARG 56 1HH2 ARG 56 -3.342 -4.166 2.404 436 HH21 ARG 56 2HH1 ARG 56 -1.929 -7.281 1.565 437 HH22 ARG 56 1HH1 ARG 56 -3.308 -6.481 2.241 438 H LEU 57 H LEU 57 0.927 -1.239 -3.361 439 HA LEU 57 HA LEU 57 0.334 1.243 -2.210 440 HB2 LEU 57 1HB LEU 57 2.575 0.638 -2.729 441 HB3 LEU 57 2HB LEU 57 2.193 0.378 -4.419 442 HG LEU 57 HG LEU 57 3.458 2.517 -3.744 443 HD11 LEU 57 1HD1 LEU 57 1.800 1.888 -5.870 444 HD12 LEU 57 2HD1 LEU 57 1.229 3.493 -5.354 445 HD13 LEU 57 3HD1 LEU 57 2.940 3.253 -5.782 446 HD21 LEU 57 1HD2 LEU 57 0.661 3.250 -2.852 447 HD22 LEU 57 2HD2 LEU 57 2.161 3.272 -1.894 448 HD23 LEU 57 3HD2 LEU 57 1.932 4.442 -3.216 449 H ARG 58 H ARG 58 -0.074 -0.016 -5.586 450 HA ARG 58 HA ARG 58 -0.976 2.191 -6.777 451 HB2 ARG 58 1HB ARG 58 -1.002 -0.583 -7.313 452 HB3 ARG 58 2HB ARG 58 -2.684 -0.115 -7.466 453 HG2 ARG 58 1HG ARG 58 -0.628 1.662 -8.767 454 HG3 ARG 58 2HG ARG 58 -0.939 0.108 -9.516 455 HD2 ARG 58 1HD ARG 58 -3.351 1.718 -8.723 456 HD3 ARG 58 2HD ARG 58 -2.410 2.332 -10.067 457 HE ARG 58 HE ARG 58 -2.894 -0.514 -10.356 458 HH11 ARG 58 2HH2 ARG 58 -4.406 2.639 -10.744 459 HH12 ARG 58 1HH2 ARG 58 -5.523 2.097 -11.952 460 HH21 ARG 58 2HH1 ARG 58 -4.367 -1.231 -11.949 461 HH22 ARG 58 1HH1 ARG 58 -5.501 -0.119 -12.642 462 H LYS 59 H LYS 59 -2.554 0.339 -4.235 463 HA LYS 59 HA LYS 59 -5.122 1.604 -4.747 464 HB2 LYS 59 1HB LYS 59 -4.436 -0.904 -3.865 465 HB3 LYS 59 2HB LYS 59 -4.804 -0.093 -2.356 466 HG2 LYS 59 1HG LYS 59 -6.985 0.714 -3.403 467 HG3 LYS 59 2HG LYS 59 -6.623 -0.280 -4.801 468 HD2 LYS 59 1HD LYS 59 -6.536 -2.309 -3.330 469 HD3 LYS 59 2HD LYS 59 -6.912 -1.312 -1.939 470 HE2 LYS 59 1HE LYS 59 -9.097 -0.701 -2.894 471 HE3 LYS 59 2HE LYS 59 -8.715 -1.518 -4.396 472 HZ1 LYS 59 1HZ LYS 59 -10.078 -2.763 -2.710 473 HZ2 LYS 59 2HZ LYS 59 -8.815 -3.572 -3.357 474 HZ3 LYS 59 3HZ LYS 59 -8.704 -2.957 -1.848 475 H ILE 60 H ILE 60 -2.329 1.676 -2.519 476 HA ILE 60 HA ILE 60 -3.513 3.254 -0.542 477 HB ILE 60 HB ILE 60 -0.680 2.760 -1.417 478 HG12 ILE 60 1HG1 ILE 60 -2.366 1.862 0.933 479 HG13 ILE 60 2HG1 ILE 60 -1.755 0.875 -0.379 480 HG21 ILE 60 1HG2 ILE 60 -1.623 4.978 0.158 481 HG22 ILE 60 2HG2 ILE 60 -0.642 3.886 1.165 482 HG23 ILE 60 3HG2 ILE 60 0.034 4.560 -0.337 483 HD11 ILE 60 1HD1 ILE 60 -0.094 0.422 1.154 484 HD12 ILE 60 2HD1 ILE 60 0.602 1.916 0.483 485 HD13 ILE 60 3HD1 ILE 60 -0.317 1.969 2.006 486 H GLU 61 H GLU 61 -1.695 4.093 -3.551 487 HA GLU 61 HA GLU 61 -1.558 6.784 -3.142 488 HB2 GLU 61 1HB GLU 61 -1.903 5.219 -5.735 489 HB3 GLU 61 2HB GLU 61 -1.487 6.921 -5.682 490 HG2 GLU 61 1HG GLU 61 0.142 4.791 -4.226 491 HG3 GLU 61 2HG GLU 61 0.482 5.271 -5.877 492 H ILE 62 H ILE 62 -4.261 4.779 -4.404 493 HA ILE 62 HA ILE 62 -5.871 6.859 -5.304 494 HB ILE 62 HB ILE 62 -6.606 4.151 -4.187 495 HG12 ILE 62 1HG1 ILE 62 -6.240 5.001 -7.072 496 HG13 ILE 62 2HG1 ILE 62 -5.001 4.197 -6.128 497 HG21 ILE 62 1HG2 ILE 62 -8.413 5.240 -6.175 498 HG22 ILE 62 2HG2 ILE 62 -8.754 4.581 -4.557 499 HG23 ILE 62 3HG2 ILE 62 -8.308 6.294 -4.745 500 HD11 ILE 62 1HD1 ILE 62 -7.670 3.120 -7.061 501 HD12 ILE 62 2HD1 ILE 62 -6.054 2.386 -7.193 502 HD13 ILE 62 3HD1 ILE 62 -6.891 2.419 -5.622 503 H LEU 63 H LEU 63 -6.045 5.073 -2.137 504 HA LEU 63 HA LEU 63 -7.950 6.531 -0.920 505 HB2 LEU 63 1HB LEU 63 -5.389 5.501 0.309 506 HB3 LEU 63 2HB LEU 63 -6.822 5.974 1.200 507 HG LEU 63 HG LEU 63 -7.309 3.955 -0.898 508 HD11 LEU 63 1HD1 LEU 63 -5.512 2.700 -0.435 509 HD12 LEU 63 2HD1 LEU 63 -5.160 3.575 1.075 510 HD13 LEU 63 3HD1 LEU 63 -6.386 2.284 1.059 511 HD21 LEU 63 1HD2 LEU 63 -9.093 4.530 0.565 512 HD22 LEU 63 2HD2 LEU 63 -8.556 2.893 1.012 513 HD23 LEU 63 3HD2 LEU 63 -8.080 4.289 2.008 514 H THR 64 H THR 64 -4.544 7.251 0.022 515 HA THR 64 HA THR 64 -4.902 9.716 1.008 516 HB THR 64 HB THR 64 -2.768 8.290 0.814 517 HG1 THR 64 1HG THR 64 -2.693 11.102 -0.025 518 HG21 THR 64 1HG2 THR 64 -2.975 8.383 -1.851 519 HG22 THR 64 2HG2 THR 64 -2.189 9.967 -1.644 520 HG23 THR 64 3HG2 THR 64 -1.374 8.488 -1.081 521 HA PRO 65 HA PRO 65 -6.501 11.776 -2.540 522 HB2 PRO 65 1HB PRO 65 -7.956 13.639 -1.169 523 HB3 PRO 65 2HB PRO 65 -8.602 12.083 -1.650 524 HG2 PRO 65 1HG PRO 65 -7.748 12.986 1.032 525 HG3 PRO 65 2HG PRO 65 -8.769 11.627 0.605 526 HD2 PRO 65 1HD PRO 65 -6.015 11.521 1.398 527 HD3 PRO 65 2HD PRO 65 -7.003 10.177 0.860 528 H GLU 66 H GLU 66 -4.924 13.125 0.249 529 HA GLU 66 HA GLU 66 -4.325 15.536 -1.112 530 HB2 GLU 66 1HB GLU 66 -4.263 14.617 1.554 531 HB3 GLU 66 2HB GLU 66 -2.581 14.922 1.165 532 HG2 GLU 66 1HG GLU 66 -3.823 17.148 0.059 533 HG3 GLU 66 2HG GLU 66 -4.830 16.843 1.460 534 H VAL 67 H VAL 67 -3.184 15.121 -3.032 535 HA VAL 67 HA VAL 67 -0.465 14.142 -2.604 536 HB VAL 67 HB VAL 67 -2.377 13.190 -4.746 537 HG11 VAL 67 1HG1 VAL 67 0.493 12.300 -4.389 538 HG12 VAL 67 2HG1 VAL 67 -0.604 11.998 -5.758 539 HG13 VAL 67 3HG1 VAL 67 0.036 13.635 -5.474 540 HG21 VAL 67 1HG2 VAL 67 -0.916 11.560 -2.647 541 HG22 VAL 67 2HG2 VAL 67 -2.577 12.167 -2.442 542 HG23 VAL 67 3HG2 VAL 67 -2.203 11.024 -3.754 543 H ASN 68 H ASN 68 -2.575 15.203 -5.370 544 HA ASN 68 HA ASN 68 -1.381 17.725 -5.478 545 HB2 ASN 68 1HB ASN 68 0.280 15.782 -6.569 546 HB3 ASN 68 2HB ASN 68 -0.633 16.274 -7.982 547 HD21 ASN 68 1HD2 ASN 68 2.152 16.665 -7.462 548 HD22 ASN 68 2HD2 ASN 68 2.477 18.366 -7.462 549 H LYS 69 H LYS 69 -2.863 14.958 -7.281 550 HA LYS 69 HA LYS 69 -5.215 16.341 -7.847 551 HB2 LYS 69 1HB LYS 69 -4.814 16.368 -10.425 552 HB3 LYS 69 2HB LYS 69 -4.284 17.717 -9.440 553 HG2 LYS 69 1HG LYS 69 -2.046 17.252 -9.751 554 HG3 LYS 69 2HG LYS 69 -2.288 15.517 -9.703 555 HD2 LYS 69 1HD LYS 69 -2.267 15.411 -11.966 556 HD3 LYS 69 2HD LYS 69 -3.613 16.529 -12.062 557 HE2 LYS 69 1HE LYS 69 -1.514 18.238 -11.433 558 HE3 LYS 69 2HE LYS 69 -0.705 17.038 -12.422 559 HZ1 LYS 69 1HZ LYS 69 -2.812 18.877 -13.152 560 HZ2 LYS 69 2HZ LYS 69 -1.511 18.391 -14.011 561 HZ3 LYS 69 3HZ LYS 69 -2.818 17.419 -13.887 562 H GLY 70 H GLY 70 -2.839 13.836 -8.868 563 HA2 GLY 70 1HA GLY 70 -3.135 11.703 -9.549 564 HA3 GLY 70 2HA GLY 70 -4.281 11.638 -8.225 565 H SER 71 H SER 71 -3.864 11.940 -11.727 566 HA SER 71 HA SER 71 -6.525 11.022 -12.086 567 HB2 SER 71 1HB SER 71 -7.140 12.925 -13.664 568 HB3 SER 71 2HB SER 71 -7.136 13.336 -11.961 569 HG SER 71 HG SER 71 -4.729 13.957 -12.517 570 H GLY 72 H GLY 72 -6.060 9.357 -13.482 571 HA2 GLY 72 1HA GLY 72 -3.847 8.944 -14.972 572 HA3 GLY 72 2HA GLY 72 -5.438 8.354 -15.410 573 HA PRO 73 HA PRO 73 -4.321 12.279 -17.877 574 HB2 PRO 73 1HB PRO 73 -1.672 12.517 -18.508 575 HB3 PRO 73 2HB PRO 73 -2.428 13.400 -17.197 576 HG2 PRO 73 1HG PRO 73 -0.631 11.057 -17.059 577 HG3 PRO 73 2HG PRO 73 -1.047 12.197 -15.795 578 HD2 PRO 73 1HD PRO 73 -2.059 9.531 -16.102 579 HD3 PRO 73 2HD PRO 73 -2.561 10.711 -14.908 580 H SER 74 H SER 74 -5.441 10.174 -18.785 581 HA SER 74 HA SER 74 -3.793 9.075 -20.860 582 HB2 SER 74 1HB SER 74 -5.352 7.638 -19.550 583 HB3 SER 74 2HB SER 74 -6.715 8.567 -20.140 584 HG SER 74 HG SER 74 -6.537 6.730 -21.453 585 H SER 75 H SER 75 -4.891 8.874 -23.150 586 HA SER 75 HA SER 75 -5.574 9.844 -24.966 587 HB2 SER 75 1HB SER 75 -7.408 11.583 -23.263 588 HB3 SER 75 2HB SER 75 -7.616 11.181 -24.956 589 HG SER 75 HG SER 75 -8.646 9.412 -24.358 590 H GLY 76 H GLY 76 -5.199 11.745 -26.326 591 HA2 GLY 76 1HA GLY 76 -3.666 13.854 -24.926 592 HA3 GLY 76 2HA GLY 76 -3.283 13.229 -26.518 Start of MODEL 12 1 H1 GLY 1 H GLY 1 28.347 15.995 13.866 2 HA2 GLY 1 1HA GLY 1 26.972 18.216 14.766 3 HA3 GLY 1 2HA GLY 1 28.504 18.819 14.165 4 H SER 2 H SER 2 25.694 19.124 13.090 5 HA SER 2 HA SER 2 26.343 18.912 10.411 6 HB2 SER 2 1HB SER 2 24.912 17.124 9.623 7 HB3 SER 2 2HB SER 2 25.972 16.459 10.849 8 HG SER 2 HG SER 2 23.190 16.732 10.850 9 H SER 3 H SER 3 24.655 19.890 9.060 10 HA SER 3 HA SER 3 22.313 20.756 10.526 11 HB2 SER 3 1HB SER 3 24.533 22.456 10.013 12 HB3 SER 3 2HB SER 3 23.308 22.927 8.852 13 HG SER 3 HG SER 3 22.900 24.126 10.711 14 H GLY 4 H GLY 4 20.671 21.811 8.934 15 HA2 GLY 4 1HA GLY 4 20.940 21.509 6.156 16 HA3 GLY 4 2HA GLY 4 20.195 20.059 6.798 17 H SER 5 H SER 5 18.423 21.058 5.278 18 HA SER 5 HA SER 5 16.660 22.528 7.044 19 HB2 SER 5 1HB SER 5 17.949 23.732 4.831 20 HB3 SER 5 2HB SER 5 16.324 23.397 4.267 21 HG SER 5 HG SER 5 15.861 24.379 6.636 22 H SER 6 H SER 6 16.934 21.083 3.708 23 HA SER 6 HA SER 6 15.731 19.613 2.657 24 HB2 SER 6 1HB SER 6 15.616 18.720 5.360 25 HB3 SER 6 2HB SER 6 13.988 18.553 4.735 26 HG SER 6 HG SER 6 16.365 17.531 3.428 27 H GLY 7 H GLY 7 14.154 20.328 1.275 28 HA2 GLY 7 1HA GLY 7 11.573 21.137 2.382 29 HA3 GLY 7 2HA GLY 7 12.467 22.340 1.474 30 H THR 8 H THR 8 12.380 22.331 -0.759 31 HA THR 8 HA THR 8 11.160 19.947 -1.990 32 HB THR 8 HB THR 8 10.050 21.580 -3.542 33 HG1 THR 8 1HG THR 8 10.300 23.883 -2.663 34 HG21 THR 8 1HG2 THR 8 8.811 21.006 -1.433 35 HG22 THR 8 2HG2 THR 8 9.664 22.322 -0.593 36 HG23 THR 8 3HG2 THR 8 8.531 22.696 -1.914 37 H SER 9 H SER 9 13.097 18.943 -2.551 38 HA SER 9 HA SER 9 14.192 19.907 -4.943 39 HB2 SER 9 1HB SER 9 15.393 21.042 -2.700 40 HB3 SER 9 2HB SER 9 16.442 19.677 -3.033 41 HG SER 9 HG SER 9 15.972 20.764 -5.421 42 H SER 10 H SER 10 13.498 17.757 -5.551 43 HA SER 10 HA SER 10 15.482 15.844 -5.339 44 HB2 SER 10 1HB SER 10 13.515 15.800 -3.171 45 HB3 SER 10 2HB SER 10 13.457 14.310 -4.091 46 HG SER 10 HG SER 10 15.018 14.057 -2.459 47 H ASN 11 H ASN 11 11.857 15.544 -5.175 48 HA ASN 11 HA ASN 11 11.465 13.737 -7.045 49 HB2 ASN 11 1HB ASN 11 9.274 14.920 -7.570 50 HB3 ASN 11 2HB ASN 11 9.588 14.755 -5.854 51 HD21 ASN 11 1HD2 ASN 11 8.800 16.837 -8.340 52 HD22 ASN 11 2HD2 ASN 11 9.055 18.365 -7.566 53 HA PRO 12 HA PRO 12 13.249 15.946 -10.513 54 HB2 PRO 12 1HB PRO 12 13.887 13.746 -12.005 55 HB3 PRO 12 2HB PRO 12 14.970 14.446 -10.818 56 HG2 PRO 12 1HG PRO 12 13.356 11.977 -10.626 57 HG3 PRO 12 2HG PRO 12 14.736 12.464 -9.662 58 HD2 PRO 12 1HD PRO 12 11.978 12.551 -8.878 59 HD3 PRO 12 2HD PRO 12 13.347 13.146 -7.960 60 H VAL 13 H VAL 13 10.826 13.453 -10.594 61 HA VAL 13 HA VAL 13 9.874 14.517 -13.136 62 HB VAL 13 HB VAL 13 10.180 12.084 -12.811 63 HG11 VAL 13 1HG1 VAL 13 8.172 12.543 -10.610 64 HG12 VAL 13 2HG1 VAL 13 8.273 10.971 -11.439 65 HG13 VAL 13 3HG1 VAL 13 9.691 11.617 -10.578 66 HG21 VAL 13 1HG2 VAL 13 7.347 11.934 -13.167 67 HG22 VAL 13 2HG2 VAL 13 7.920 13.460 -13.884 68 HG23 VAL 13 3HG2 VAL 13 8.629 11.911 -14.402 69 H LEU 14 H LEU 14 7.833 15.488 -13.385 70 HA LEU 14 HA LEU 14 6.284 15.876 -10.945 71 HB2 LEU 14 1HB LEU 14 7.981 17.759 -11.354 72 HB3 LEU 14 2HB LEU 14 6.975 18.207 -12.717 73 HG LEU 14 HG LEU 14 6.522 19.535 -10.685 74 HD11 LEU 14 1HD1 LEU 14 4.794 19.161 -12.435 75 HD12 LEU 14 2HD1 LEU 14 4.154 17.815 -11.462 76 HD13 LEU 14 3HD1 LEU 14 4.122 19.473 -10.816 77 HD21 LEU 14 1HD2 LEU 14 5.411 16.991 -9.478 78 HD22 LEU 14 2HD2 LEU 14 6.992 17.693 -9.062 79 HD23 LEU 14 3HD2 LEU 14 5.499 18.604 -8.732 80 H GLU 15 H GLU 15 5.150 14.114 -12.257 81 HA GLU 15 HA GLU 15 3.318 15.482 -14.052 82 HB2 GLU 15 1HB GLU 15 5.163 13.319 -14.738 83 HB3 GLU 15 2HB GLU 15 3.504 12.826 -15.014 84 HG2 GLU 15 1HG GLU 15 4.420 15.551 -15.971 85 HG3 GLU 15 2HG GLU 15 4.839 14.129 -16.904 86 H LEU 16 H LEU 16 1.141 14.601 -14.064 87 HA LEU 16 HA LEU 16 0.672 12.683 -11.889 88 HB2 LEU 16 1HB LEU 16 -1.260 13.891 -11.215 89 HB3 LEU 16 2HB LEU 16 0.115 14.977 -11.214 90 HG LEU 16 HG LEU 16 -1.501 14.965 -13.702 91 HD11 LEU 16 1HD1 LEU 16 -2.697 16.610 -11.549 92 HD12 LEU 16 2HD1 LEU 16 -3.458 15.767 -12.920 93 HD13 LEU 16 3HD1 LEU 16 -3.001 14.858 -11.459 94 HD21 LEU 16 1HD2 LEU 16 0.134 16.573 -13.771 95 HD22 LEU 16 2HD2 LEU 16 -1.234 17.520 -13.140 96 HD23 LEU 16 3HD2 LEU 16 0.024 16.926 -12.030 97 H GLU 17 H GLU 17 -2.315 13.175 -12.773 98 HA GLU 17 HA GLU 17 -3.758 12.077 -13.970 99 HB2 GLU 17 1HB GLU 17 -1.684 12.600 -16.135 100 HB3 GLU 17 2HB GLU 17 -3.242 11.881 -16.490 101 HG2 GLU 17 1HG GLU 17 -4.180 13.965 -15.107 102 HG3 GLU 17 2HG GLU 17 -2.624 14.671 -15.498 103 H LEU 18 H LEU 18 -3.913 10.027 -13.070 104 HA LEU 18 HA LEU 18 -2.795 7.888 -14.584 105 HB2 LEU 18 1HB LEU 18 -1.169 7.104 -13.260 106 HB3 LEU 18 2HB LEU 18 -1.016 8.798 -12.840 107 HG LEU 18 HG LEU 18 -2.690 8.201 -10.909 108 HD11 LEU 18 1HD1 LEU 18 -2.636 5.733 -12.089 109 HD12 LEU 18 2HD1 LEU 18 -1.441 5.542 -10.783 110 HD13 LEU 18 3HD1 LEU 18 -3.101 6.059 -10.402 111 HD21 LEU 18 1HD2 LEU 18 -0.325 8.952 -10.689 112 HD22 LEU 18 2HD2 LEU 18 -0.844 7.814 -9.422 113 HD23 LEU 18 3HD2 LEU 18 0.181 7.247 -10.763 114 H ALA 19 H ALA 19 -4.127 6.114 -14.452 115 HA ALA 19 HA ALA 19 -5.625 5.455 -12.189 116 HB1 ALA 19 1HB ALA 19 -6.712 7.683 -13.131 117 HB2 ALA 19 2HB ALA 19 -7.444 6.570 -14.311 118 HB3 ALA 19 3HB ALA 19 -7.737 6.340 -12.570 119 H GLU 20 H GLU 20 -7.696 4.010 -13.175 120 HA GLU 20 HA GLU 20 -8.344 2.408 -14.550 121 HB2 GLU 20 1HB GLU 20 -6.822 3.739 -16.334 122 HB3 GLU 20 2HB GLU 20 -5.816 2.314 -16.174 123 HG2 GLU 20 1HG GLU 20 -7.195 1.332 -17.693 124 HG3 GLU 20 2HG GLU 20 -8.369 1.210 -16.397 125 H GLU 21 H GLU 21 -8.056 1.212 -12.517 126 HA GLU 21 HA GLU 21 -5.775 0.128 -11.605 127 HB2 GLU 21 1HB GLU 21 -7.143 -1.464 -10.416 128 HB3 GLU 21 2HB GLU 21 -8.070 0.017 -10.550 129 HG2 GLU 21 1HG GLU 21 -9.006 -1.096 -12.776 130 HG3 GLU 21 2HG GLU 21 -8.440 -2.588 -12.050 131 H LYS 22 H LYS 22 -7.522 -0.702 -14.535 132 HA LYS 22 HA LYS 22 -6.675 -3.330 -14.869 133 HB2 LYS 22 1HB LYS 22 -8.152 -1.405 -16.307 134 HB3 LYS 22 2HB LYS 22 -6.853 -1.893 -17.376 135 HG2 LYS 22 1HG LYS 22 -8.293 -3.621 -17.868 136 HG3 LYS 22 2HG LYS 22 -7.554 -4.349 -16.456 137 HD2 LYS 22 1HD LYS 22 -9.395 -3.845 -15.057 138 HD3 LYS 22 2HD LYS 22 -9.953 -2.540 -16.085 139 HE2 LYS 22 1HE LYS 22 -10.034 -4.837 -17.744 140 HE3 LYS 22 2HE LYS 22 -10.622 -5.396 -16.191 141 HZ1 LYS 22 1HZ LYS 22 -11.663 -3.145 -17.759 142 HZ2 LYS 22 2HZ LYS 22 -12.434 -4.535 -17.382 143 HZ3 LYS 22 3HZ LYS 22 -12.114 -3.436 -16.217 144 H LEU 23 H LEU 23 -5.336 -3.135 -17.478 145 HA LEU 23 HA LEU 23 -3.290 -3.149 -18.303 146 HB2 LEU 23 1HB LEU 23 -3.575 -0.586 -17.025 147 HB3 LEU 23 2HB LEU 23 -1.910 -1.120 -16.915 148 HG LEU 23 HG LEU 23 -2.990 -1.532 -19.592 149 HD11 LEU 23 1HD1 LEU 23 -3.527 0.609 -20.272 150 HD12 LEU 23 2HD1 LEU 23 -4.282 0.532 -18.662 151 HD13 LEU 23 3HD1 LEU 23 -2.727 1.372 -18.877 152 HD21 LEU 23 1HD2 LEU 23 -0.833 -1.300 -20.048 153 HD22 LEU 23 2HD2 LEU 23 -0.851 0.376 -19.450 154 HD23 LEU 23 3HD2 LEU 23 -0.526 -0.966 -18.326 155 HA PRO 24 HA PRO 24 -0.919 -5.505 -15.573 156 HB2 PRO 24 1HB PRO 24 1.431 -5.736 -16.949 157 HB3 PRO 24 2HB PRO 24 0.015 -6.705 -17.302 158 HG2 PRO 24 1HG PRO 24 1.110 -4.408 -18.806 159 HG3 PRO 24 2HG PRO 24 -0.019 -5.635 -19.345 160 HD2 PRO 24 1HD PRO 24 -0.644 -2.938 -18.597 161 HD3 PRO 24 2HD PRO 24 -1.784 -4.198 -19.024 162 H MET 25 H MET 25 1.756 -5.601 -14.960 163 HA MET 25 HA MET 25 1.885 -3.699 -13.016 164 HB2 MET 25 1HB MET 25 3.662 -5.687 -14.290 165 HB3 MET 25 2HB MET 25 4.573 -4.298 -13.731 166 HG2 MET 25 1HG MET 25 3.031 -4.657 -11.531 167 HG3 MET 25 2HG MET 25 2.991 -6.302 -12.134 168 HE1 MET 25 1HE MET 25 4.724 -6.222 -9.254 169 HE2 MET 25 2HE MET 25 3.897 -7.302 -10.403 170 HE3 MET 25 3HE MET 25 5.637 -7.504 -10.086 171 H THR 26 H THR 26 1.962 -1.503 -13.186 172 HA THR 26 HA THR 26 3.341 -0.375 -15.520 173 HB THR 26 HB THR 26 1.979 1.684 -14.806 174 HG1 THR 26 1HG THR 26 0.648 1.345 -13.011 175 HG21 THR 26 1HG2 THR 26 -0.096 -0.446 -14.964 176 HG22 THR 26 2HG2 THR 26 0.157 0.963 -16.022 177 HG23 THR 26 3HG2 THR 26 1.115 -0.518 -16.266 178 H LEU 27 H LEU 27 3.206 -0.326 -11.934 179 HA LEU 27 HA LEU 27 5.586 1.379 -11.983 180 HB2 LEU 27 1HB LEU 27 4.031 0.684 -9.519 181 HB3 LEU 27 2HB LEU 27 5.052 2.072 -9.835 182 HG LEU 27 HG LEU 27 2.467 1.660 -11.335 183 HD11 LEU 27 1HD1 LEU 27 2.854 2.829 -8.580 184 HD12 LEU 27 2HD1 LEU 27 1.485 3.277 -9.625 185 HD13 LEU 27 3HD1 LEU 27 1.699 1.585 -9.115 186 HD21 LEU 27 1HD2 LEU 27 3.669 3.324 -12.401 187 HD22 LEU 27 2HD2 LEU 27 2.656 4.253 -11.270 188 HD23 LEU 27 3HD2 LEU 27 4.366 3.944 -10.885 189 H SER 28 H SER 28 7.561 0.543 -11.532 190 HA SER 28 HA SER 28 7.737 -2.247 -11.146 191 HB2 SER 28 1HB SER 28 9.469 -0.084 -11.937 192 HB3 SER 28 2HB SER 28 10.256 -0.947 -10.631 193 HG SER 28 HG SER 28 10.837 -1.970 -12.571 194 H ARG 29 H ARG 29 9.207 -3.186 -9.338 195 HA ARG 29 HA ARG 29 8.085 -2.942 -6.964 196 HB2 ARG 29 1HB ARG 29 10.427 -3.631 -6.014 197 HB3 ARG 29 2HB ARG 29 9.683 -4.680 -7.205 198 HG2 ARG 29 1HG ARG 29 11.621 -4.480 -8.382 199 HG3 ARG 29 2HG ARG 29 11.065 -2.874 -8.813 200 HD2 ARG 29 1HD ARG 29 12.136 -2.225 -6.436 201 HD3 ARG 29 2HD ARG 29 13.068 -3.685 -6.700 202 HE ARG 29 HE ARG 29 13.029 -1.944 -9.047 203 HH11 ARG 29 2HH2 ARG 29 14.618 -2.560 -5.968 204 HH12 ARG 29 1HH2 ARG 29 16.095 -1.783 -6.430 205 HH21 ARG 29 2HH1 ARG 29 14.978 -0.918 -9.656 206 HH22 ARG 29 1HH1 ARG 29 16.302 -0.843 -8.541 207 H GLN 30 H GLN 30 11.080 -1.136 -7.985 208 HA GLN 30 HA GLN 30 11.357 0.306 -5.668 209 HB2 GLN 30 1HB GLN 30 12.903 0.048 -7.783 210 HB3 GLN 30 2HB GLN 30 12.062 1.466 -8.377 211 HG2 GLN 30 1HG GLN 30 12.682 2.172 -5.738 212 HG3 GLN 30 2HG GLN 30 14.085 1.245 -6.231 213 HE21 GLN 30 1HE2 GLN 30 13.742 4.107 -5.694 214 HE22 GLN 30 2HE2 GLN 30 14.271 4.959 -7.106 215 H GLU 31 H GLU 31 9.491 1.033 -8.674 216 HA GLU 31 HA GLU 31 8.772 3.601 -7.985 217 HB2 GLU 31 1HB GLU 31 8.489 2.317 -10.222 218 HB3 GLU 31 2HB GLU 31 6.996 1.694 -9.550 219 HG2 GLU 31 1HG GLU 31 6.523 3.708 -10.879 220 HG3 GLU 31 2HG GLU 31 6.173 4.024 -9.191 221 H VAL 32 H VAL 32 7.677 0.483 -6.785 222 HA VAL 32 HA VAL 32 5.300 1.675 -5.600 223 HB VAL 32 HB VAL 32 6.362 -1.144 -5.798 224 HG11 VAL 32 1HG1 VAL 32 4.733 -0.135 -3.747 225 HG12 VAL 32 2HG1 VAL 32 3.620 -0.955 -4.868 226 HG13 VAL 32 3HG1 VAL 32 4.998 -1.843 -4.174 227 HG21 VAL 32 1HG2 VAL 32 4.944 -1.455 -7.534 228 HG22 VAL 32 2HG2 VAL 32 3.680 -0.421 -6.827 229 HG23 VAL 32 3HG2 VAL 32 5.055 0.315 -7.683 230 H ILE 33 H ILE 33 8.564 0.468 -4.820 231 HA ILE 33 HA ILE 33 8.177 0.390 -2.028 232 HB ILE 33 HB ILE 33 10.572 0.474 -3.840 233 HG12 ILE 33 1HG1 ILE 33 9.585 -1.676 -1.946 234 HG13 ILE 33 2HG1 ILE 33 9.138 -1.590 -3.638 235 HG21 ILE 33 1HG2 ILE 33 11.734 1.388 -2.154 236 HG22 ILE 33 2HG2 ILE 33 10.467 1.046 -0.953 237 HG23 ILE 33 3HG2 ILE 33 11.618 -0.229 -1.420 238 HD11 ILE 33 1HD1 ILE 33 11.244 -3.026 -2.851 239 HD12 ILE 33 2HD1 ILE 33 11.281 -2.130 -4.389 240 HD13 ILE 33 3HD1 ILE 33 12.070 -1.452 -2.944 241 H ARG 34 H ARG 34 9.157 2.926 -4.366 242 HA ARG 34 HA ARG 34 10.136 4.754 -2.623 243 HB2 ARG 34 1HB ARG 34 10.145 5.027 -5.093 244 HB3 ARG 34 2HB ARG 34 8.403 5.221 -5.102 245 HG2 ARG 34 1HG ARG 34 10.002 7.070 -3.338 246 HG3 ARG 34 2HG ARG 34 10.075 7.337 -5.069 247 HD2 ARG 34 1HD ARG 34 7.331 6.936 -4.590 248 HD3 ARG 34 2HD ARG 34 7.856 7.852 -3.191 249 HE ARG 34 HE ARG 34 8.938 8.985 -5.632 250 HH11 ARG 34 2HH2 ARG 34 6.009 8.798 -3.690 251 HH12 ARG 34 1HH2 ARG 34 5.375 10.302 -4.270 252 HH21 ARG 34 2HH1 ARG 34 8.102 10.969 -6.398 253 HH22 ARG 34 1HH1 ARG 34 6.574 11.545 -5.821 254 H ARG 35 H ARG 35 6.787 5.002 -4.034 255 HA ARG 35 HA ARG 35 5.806 6.811 -2.344 256 HB2 ARG 35 1HB ARG 35 4.456 4.393 -3.621 257 HB3 ARG 35 2HB ARG 35 3.531 5.579 -2.723 258 HG2 ARG 35 1HG ARG 35 3.403 6.749 -4.671 259 HG3 ARG 35 2HG ARG 35 5.075 7.192 -4.389 260 HD2 ARG 35 1HD ARG 35 5.865 5.271 -5.717 261 HD3 ARG 35 2HD ARG 35 4.229 4.668 -5.891 262 HE ARG 35 HE ARG 35 5.452 6.755 -7.468 263 HH11 ARG 35 2HH2 ARG 35 2.373 5.796 -6.061 264 HH12 ARG 35 1HH2 ARG 35 1.426 6.643 -7.239 265 HH21 ARG 35 2HH1 ARG 35 4.203 7.873 -9.022 266 HH22 ARG 35 1HH1 ARG 35 2.474 7.832 -8.934 267 H LEU 36 H LEU 36 5.377 3.210 -1.928 268 HA LEU 36 HA LEU 36 4.139 3.128 0.446 269 HB2 LEU 36 1HB LEU 36 6.354 1.386 -0.623 270 HB3 LEU 36 2HB LEU 36 5.477 1.007 0.846 271 HG LEU 36 HG LEU 36 4.278 1.275 -1.925 272 HD11 LEU 36 1HD1 LEU 36 5.407 -0.749 -1.966 273 HD12 LEU 36 2HD1 LEU 36 5.096 -1.081 -0.245 274 HD13 LEU 36 3HD1 LEU 36 3.776 -1.223 -1.432 275 HD21 LEU 36 1HD2 LEU 36 3.009 0.767 0.766 276 HD22 LEU 36 2HD2 LEU 36 2.590 1.992 -0.456 277 HD23 LEU 36 3HD2 LEU 36 2.240 0.273 -0.761 278 H ARG 37 H ARG 37 7.728 3.434 -0.003 279 HA ARG 37 HA ARG 37 8.337 3.529 2.654 280 HB2 ARG 37 1HB ARG 37 9.625 4.501 0.117 281 HB3 ARG 37 2HB ARG 37 10.273 5.152 1.609 282 HG2 ARG 37 1HG ARG 37 10.126 2.511 2.302 283 HG3 ARG 37 2HG ARG 37 10.345 2.341 0.572 284 HD2 ARG 37 1HD ARG 37 12.430 3.572 0.611 285 HD3 ARG 37 2HD ARG 37 12.146 4.146 2.242 286 HE ARG 37 HE ARG 37 12.226 1.218 2.019 287 HH11 ARG 37 2HH2 ARG 37 14.118 4.141 2.526 288 HH12 ARG 37 1HH2 ARG 37 15.417 3.316 3.322 289 HH21 ARG 37 2HH1 ARG 37 13.939 0.129 3.069 290 HH22 ARG 37 1HH1 ARG 37 15.314 1.018 3.633 291 H GLU 38 H GLU 38 7.863 6.310 0.344 292 HA GLU 38 HA GLU 38 8.117 8.276 2.258 293 HB2 GLU 38 1HB GLU 38 6.855 8.123 -0.480 294 HB3 GLU 38 2HB GLU 38 6.606 9.567 0.481 295 HG2 GLU 38 1HG GLU 38 9.418 8.743 0.560 296 HG3 GLU 38 2HG GLU 38 8.877 8.940 -1.095 297 H ARG 39 H ARG 39 5.633 5.938 1.810 298 HA ARG 39 HA ARG 39 3.639 7.644 3.004 299 HB2 ARG 39 1HB ARG 39 3.433 4.727 2.100 300 HB3 ARG 39 2HB ARG 39 2.087 5.745 2.572 301 HG2 ARG 39 1HG ARG 39 3.692 7.073 0.516 302 HG3 ARG 39 2HG ARG 39 3.209 5.478 -0.026 303 HD2 ARG 39 1HD ARG 39 1.044 6.130 -0.303 304 HD3 ARG 39 2HD ARG 39 0.972 6.820 1.306 305 HE ARG 39 HE ARG 39 2.458 8.697 -0.026 306 HH11 ARG 39 2HH2 ARG 39 -0.582 7.111 -0.816 307 HH12 ARG 39 1HH2 ARG 39 -1.192 8.451 -1.727 308 HH21 ARG 39 2HH1 ARG 39 1.654 10.466 -1.228 309 HH22 ARG 39 1HH1 ARG 39 0.088 10.373 -1.963 310 H GLY 40 H GLY 40 6.120 5.444 3.894 311 HA2 GLY 40 1HA GLY 40 6.745 4.879 6.024 312 HA3 GLY 40 2HA GLY 40 5.186 5.393 6.639 313 H GLU 41 H GLU 41 4.634 3.488 3.882 314 HA GLU 41 HA GLU 41 3.716 1.357 5.531 315 HB2 GLU 41 1HB GLU 41 3.739 1.477 2.488 316 HB3 GLU 41 2HB GLU 41 2.704 0.490 3.501 317 HG2 GLU 41 1HG GLU 41 2.497 3.330 4.226 318 HG3 GLU 41 2HG GLU 41 2.140 3.084 2.528 319 HA PRO 42 HA PRO 42 7.045 -1.356 4.917 320 HB2 PRO 42 1HB PRO 42 5.856 -3.815 5.001 321 HB3 PRO 42 2HB PRO 42 6.215 -2.874 6.435 322 HG2 PRO 42 1HG PRO 42 3.605 -3.330 5.123 323 HG3 PRO 42 2HG PRO 42 3.933 -2.770 6.751 324 HD2 PRO 42 1HD PRO 42 3.093 -1.171 4.523 325 HD3 PRO 42 2HD PRO 42 3.532 -0.596 6.119 326 H ILE 43 H ILE 43 8.303 -1.464 3.177 327 HA ILE 43 HA ILE 43 7.291 -1.541 0.637 328 HB ILE 43 HB ILE 43 9.569 -2.240 -0.030 329 HG12 ILE 43 1HG1 ILE 43 10.239 -2.295 2.919 330 HG13 ILE 43 2HG1 ILE 43 9.876 -3.747 2.008 331 HG21 ILE 43 1HG2 ILE 43 10.700 -0.246 0.832 332 HG22 ILE 43 2HG2 ILE 43 9.026 0.109 0.342 333 HG23 ILE 43 3HG2 ILE 43 9.432 -0.057 2.067 334 HD11 ILE 43 1HD1 ILE 43 12.252 -1.924 1.816 335 HD12 ILE 43 2HD1 ILE 43 12.168 -3.698 1.691 336 HD13 ILE 43 3HD1 ILE 43 11.687 -2.684 0.309 337 H ARG 44 H ARG 44 8.001 -4.224 2.892 338 HA ARG 44 HA ARG 44 6.603 -5.932 1.016 339 HB2 ARG 44 1HB ARG 44 8.986 -6.445 0.679 340 HB3 ARG 44 2HB ARG 44 9.248 -6.586 2.406 341 HG2 ARG 44 1HG ARG 44 9.057 -8.830 1.437 342 HG3 ARG 44 2HG ARG 44 7.683 -8.539 2.485 343 HD2 ARG 44 1HD ARG 44 6.217 -8.787 0.762 344 HD3 ARG 44 2HD ARG 44 7.073 -7.613 -0.217 345 HE ARG 44 HE ARG 44 8.050 -9.379 -1.381 346 HH11 ARG 44 2HH2 ARG 44 7.064 -10.543 1.790 347 HH12 ARG 44 1HH2 ARG 44 7.512 -12.184 1.468 348 HH21 ARG 44 2HH1 ARG 44 8.642 -11.544 -1.806 349 HH22 ARG 44 1HH1 ARG 44 8.416 -12.758 -0.591 350 H LEU 45 H LEU 45 4.853 -6.781 2.099 351 HA LEU 45 HA LEU 45 4.857 -6.721 4.983 352 HB2 LEU 45 1HB LEU 45 2.838 -7.108 2.820 353 HB3 LEU 45 2HB LEU 45 2.482 -7.742 4.415 354 HG LEU 45 HG LEU 45 3.157 -5.299 5.190 355 HD11 LEU 45 1HD1 LEU 45 2.697 -5.033 2.249 356 HD12 LEU 45 2HD1 LEU 45 2.092 -3.755 3.331 357 HD13 LEU 45 3HD1 LEU 45 3.824 -4.166 3.319 358 HD21 LEU 45 1HD2 LEU 45 0.775 -6.690 4.801 359 HD22 LEU 45 2HD2 LEU 45 1.006 -5.196 5.741 360 HD23 LEU 45 3HD2 LEU 45 0.498 -5.107 4.037 361 H PHE 46 H PHE 46 3.347 -8.913 5.711 362 HA PHE 46 HA PHE 46 5.341 -10.955 5.576 363 HB2 PHE 46 1HB PHE 46 3.801 -10.237 7.550 364 HB3 PHE 46 2HB PHE 46 2.472 -10.980 6.682 365 HD1 PHE 46 2HD PHE 46 5.908 -11.848 7.868 366 HD2 PHE 46 1HD PHE 46 1.922 -13.153 7.217 367 HE1 PHE 46 2HE PHE 46 6.461 -14.062 8.914 368 HE2 PHE 46 1HE PHE 46 2.476 -15.366 8.262 369 HZ PHE 46 HZ PHE 46 4.739 -15.795 9.098 370 H GLY 47 H GLY 47 5.325 -11.450 3.258 371 HA2 GLY 47 1HA GLY 47 4.806 -13.192 1.821 372 HA3 GLY 47 2HA GLY 47 3.269 -13.429 2.629 373 H GLU 48 H GLU 48 4.924 -10.607 1.025 374 HA GLU 48 HA GLU 48 2.468 -10.301 -0.522 375 HB2 GLU 48 1HB GLU 48 3.963 -8.377 1.131 376 HB3 GLU 48 2HB GLU 48 3.717 -7.788 -0.501 377 HG2 GLU 48 1HG GLU 48 1.233 -8.514 -0.211 378 HG3 GLU 48 2HG GLU 48 1.596 -8.672 1.497 379 H THR 49 H THR 49 2.840 -10.882 -2.616 380 HA THR 49 HA THR 49 5.504 -10.950 -3.657 381 HB THR 49 HB THR 49 3.450 -12.519 -4.110 382 HG1 THR 49 1HG THR 49 5.264 -12.826 -5.416 383 HG21 THR 49 1HG2 THR 49 1.881 -10.666 -4.841 384 HG22 THR 49 2HG2 THR 49 2.984 -10.322 -6.194 385 HG23 THR 49 3HG2 THR 49 2.143 -11.889 -6.108 386 H ASP 50 H ASP 50 6.204 -9.871 -5.655 387 HA ASP 50 HA ASP 50 6.316 -7.251 -5.461 388 HB2 ASP 50 1HB ASP 50 7.154 -9.051 -7.313 389 HB3 ASP 50 2HB ASP 50 5.893 -8.282 -8.256 390 H TYR 51 H TYR 51 3.857 -9.086 -7.428 391 HA TYR 51 HA TYR 51 2.428 -6.886 -8.338 392 HB2 TYR 51 1HB TYR 51 2.440 -9.600 -8.675 393 HB3 TYR 51 2HB TYR 51 1.132 -9.516 -7.512 394 HD1 TYR 51 2HD TYR 51 -0.526 -7.336 -8.194 395 HD2 TYR 51 1HD TYR 51 1.687 -9.861 -10.845 396 HE1 TYR 51 2HE TYR 51 -2.154 -6.803 -10.073 397 HE2 TYR 51 1HE TYR 51 0.052 -9.320 -12.715 398 HH TYR 51 HH TYR 51 -2.906 -7.649 -12.094 399 H ASP 52 H ASP 52 2.171 -8.790 -5.292 400 HA ASP 52 HA ASP 52 -0.233 -7.757 -4.458 401 HB2 ASP 52 1HB ASP 52 1.951 -9.308 -3.364 402 HB3 ASP 52 2HB ASP 52 1.507 -8.093 -2.182 403 H ALA 53 H ALA 53 3.178 -6.783 -3.593 404 HA ALA 53 HA ALA 53 2.514 -4.579 -2.051 405 HB1 ALA 53 1HB ALA 53 4.966 -5.065 -3.793 406 HB2 ALA 53 2HB ALA 53 4.857 -3.917 -2.437 407 HB3 ALA 53 3HB ALA 53 4.735 -5.667 -2.134 408 H PHE 54 H PHE 54 2.997 -4.944 -5.603 409 HA PHE 54 HA PHE 54 2.950 -2.245 -6.237 410 HB2 PHE 54 1HB PHE 54 3.591 -3.891 -7.895 411 HB3 PHE 54 2HB PHE 54 2.186 -4.886 -7.568 412 HD1 PHE 54 2HD PHE 54 2.461 -1.254 -8.386 413 HD2 PHE 54 1HD PHE 54 1.002 -5.067 -9.544 414 HE1 PHE 54 2HE PHE 54 1.266 -0.207 -10.330 415 HE2 PHE 54 1HE PHE 54 -0.192 -4.021 -11.487 416 HZ PHE 54 HZ PHE 54 -0.046 -1.603 -11.857 417 H GLN 55 H GLN 55 0.222 -4.634 -6.586 418 HA GLN 55 HA GLN 55 -1.684 -2.779 -7.167 419 HB2 GLN 55 1HB GLN 55 -1.946 -5.437 -5.696 420 HB3 GLN 55 2HB GLN 55 -3.314 -4.531 -6.313 421 HG2 GLN 55 1HG GLN 55 -0.982 -5.336 -8.101 422 HG3 GLN 55 2HG GLN 55 -2.350 -6.398 -7.833 423 HE21 GLN 55 1HE2 GLN 55 -4.324 -5.956 -8.702 424 HE22 GLN 55 2HE2 GLN 55 -4.620 -4.711 -9.870 425 H ARG 56 H ARG 56 -0.288 -3.714 -4.028 426 HA ARG 56 HA ARG 56 -2.276 -2.710 -2.413 427 HB2 ARG 56 1HB ARG 56 -0.137 -4.104 -1.832 428 HB3 ARG 56 2HB ARG 56 0.693 -2.563 -1.737 429 HG2 ARG 56 1HG ARG 56 -0.657 -1.809 0.091 430 HG3 ARG 56 2HG ARG 56 -1.888 -3.023 -0.199 431 HD2 ARG 56 1HD ARG 56 -0.537 -3.662 1.762 432 HD3 ARG 56 2HD ARG 56 -0.288 -4.822 0.472 433 HE ARG 56 HE ARG 56 1.953 -4.176 0.379 434 HH11 ARG 56 2HH2 ARG 56 0.102 -1.607 1.914 435 HH12 ARG 56 1HH2 ARG 56 1.498 -0.659 2.303 436 HH21 ARG 56 2HH1 ARG 56 3.795 -2.926 0.892 437 HH22 ARG 56 1HH1 ARG 56 3.613 -1.414 1.718 438 H LEU 57 H LEU 57 0.899 -1.173 -3.348 439 HA LEU 57 HA LEU 57 0.311 1.315 -2.251 440 HB2 LEU 57 1HB LEU 57 2.551 0.676 -2.726 441 HB3 LEU 57 2HB LEU 57 2.198 0.420 -4.424 442 HG LEU 57 HG LEU 57 3.483 2.542 -3.709 443 HD11 LEU 57 1HD1 LEU 57 1.602 3.768 -5.397 444 HD12 LEU 57 2HD1 LEU 57 3.102 2.930 -5.860 445 HD13 LEU 57 3HD1 LEU 57 1.564 2.036 -5.805 446 HD21 LEU 57 1HD2 LEU 57 1.865 4.486 -3.311 447 HD22 LEU 57 2HD2 LEU 57 0.683 3.244 -2.832 448 HD23 LEU 57 3HD2 LEU 57 2.214 3.407 -1.939 449 H ARG 58 H ARG 58 -0.041 0.085 -5.646 450 HA ARG 58 HA ARG 58 -0.884 2.309 -6.842 451 HB2 ARG 58 1HB ARG 58 -1.049 -0.513 -7.327 452 HB3 ARG 58 2HB ARG 58 -2.643 0.134 -7.662 453 HG2 ARG 58 1HG ARG 58 -0.407 1.779 -8.742 454 HG3 ARG 58 2HG ARG 58 -0.518 0.174 -9.437 455 HD2 ARG 58 1HD ARG 58 -3.195 1.266 -9.263 456 HD3 ARG 58 2HD ARG 58 -2.161 2.471 -10.005 457 HE ARG 58 HE ARG 58 -1.836 1.050 -11.862 458 HH11 ARG 58 2HH2 ARG 58 -3.438 -0.699 -9.263 459 HH12 ARG 58 1HH2 ARG 58 -3.827 -2.067 -10.252 460 HH21 ARG 58 2HH1 ARG 58 -2.350 -0.754 -13.167 461 HH22 ARG 58 1HH1 ARG 58 -3.204 -2.098 -12.487 462 H LYS 59 H LYS 59 -2.550 0.469 -4.346 463 HA LYS 59 HA LYS 59 -5.079 1.796 -4.901 464 HB2 LYS 59 1HB LYS 59 -4.467 -0.741 -4.038 465 HB3 LYS 59 2HB LYS 59 -4.861 0.058 -2.530 466 HG2 LYS 59 1HG LYS 59 -6.998 0.915 -3.608 467 HG3 LYS 59 2HG LYS 59 -6.614 -0.037 -5.029 468 HD2 LYS 59 1HD LYS 59 -6.666 -2.120 -3.700 469 HD3 LYS 59 2HD LYS 59 -6.914 -1.209 -2.224 470 HE2 LYS 59 1HE LYS 59 -9.050 -0.254 -3.359 471 HE3 LYS 59 2HE LYS 59 -8.837 -1.505 -4.568 472 HZ1 LYS 59 1HZ LYS 59 -10.206 -1.924 -2.420 473 HZ2 LYS 59 2HZ LYS 59 -9.308 -3.119 -3.076 474 HZ3 LYS 59 3HZ LYS 59 -8.750 -2.296 -1.781 475 H ILE 60 H ILE 60 -2.346 1.755 -2.594 476 HA ILE 60 HA ILE 60 -3.537 3.334 -0.626 477 HB ILE 60 HB ILE 60 -0.678 2.846 -1.438 478 HG12 ILE 60 1HG1 ILE 60 -2.342 1.840 0.890 479 HG13 ILE 60 2HG1 ILE 60 -1.946 0.925 -0.552 480 HG21 ILE 60 1HG2 ILE 60 -1.535 4.208 1.119 481 HG22 ILE 60 2HG2 ILE 60 0.108 3.992 0.469 482 HG23 ILE 60 3HG2 ILE 60 -1.026 5.105 -0.333 483 HD11 ILE 60 1HD1 ILE 60 0.502 2.039 0.513 484 HD12 ILE 60 2HD1 ILE 60 -0.379 1.216 1.823 485 HD13 ILE 60 3HD1 ILE 60 0.044 0.327 0.340 486 H GLU 61 H GLU 61 -1.687 4.161 -3.610 487 HA GLU 61 HA GLU 61 -1.424 6.831 -3.171 488 HB2 GLU 61 1HB GLU 61 -1.898 5.309 -5.767 489 HB3 GLU 61 2HB GLU 61 -1.442 7.000 -5.722 490 HG2 GLU 61 1HG GLU 61 0.179 4.822 -4.331 491 HG3 GLU 61 2HG GLU 61 0.484 5.316 -5.984 492 H ILE 62 H ILE 62 -4.320 4.962 -3.842 493 HA ILE 62 HA ILE 62 -5.815 7.306 -4.653 494 HB ILE 62 HB ILE 62 -6.740 4.470 -4.188 495 HG12 ILE 62 1HG1 ILE 62 -6.129 5.674 -6.883 496 HG13 ILE 62 2HG1 ILE 62 -4.871 4.895 -5.944 497 HG21 ILE 62 1HG2 ILE 62 -8.147 6.903 -4.721 498 HG22 ILE 62 2HG2 ILE 62 -8.274 5.840 -6.143 499 HG23 ILE 62 3HG2 ILE 62 -8.783 5.251 -4.542 500 HD11 ILE 62 1HD1 ILE 62 -5.738 3.143 -7.288 501 HD12 ILE 62 2HD1 ILE 62 -6.535 2.896 -5.715 502 HD13 ILE 62 3HD1 ILE 62 -7.421 3.674 -7.049 503 H LEU 63 H LEU 63 -6.075 4.788 -2.039 504 HA LEU 63 HA LEU 63 -7.972 5.916 -0.512 505 HB2 LEU 63 1HB LEU 63 -5.448 4.469 0.268 506 HB3 LEU 63 2HB LEU 63 -6.655 4.940 1.449 507 HG LEU 63 HG LEU 63 -7.390 3.274 -0.957 508 HD11 LEU 63 1HD1 LEU 63 -5.591 2.057 0.072 509 HD12 LEU 63 2HD1 LEU 63 -6.298 2.287 1.690 510 HD13 LEU 63 3HD1 LEU 63 -7.130 1.268 0.492 511 HD21 LEU 63 1HD2 LEU 63 -8.646 3.439 1.793 512 HD22 LEU 63 2HD2 LEU 63 -9.178 4.383 0.381 513 HD23 LEU 63 3HD2 LEU 63 -9.283 2.607 0.354 514 H THR 64 H THR 64 -4.469 6.818 -0.554 515 HA THR 64 HA THR 64 -4.318 8.583 1.466 516 HB THR 64 HB THR 64 -3.048 8.154 -1.160 517 HG1 THR 64 1HG THR 64 -2.162 9.349 1.365 518 HG21 THR 64 1HG2 THR 64 -3.706 10.655 -1.303 519 HG22 THR 64 2HG2 THR 64 -2.700 10.894 0.147 520 HG23 THR 64 3HG2 THR 64 -1.961 10.308 -1.363 521 HA PRO 65 HA PRO 65 -7.109 11.772 0.771 522 HB2 PRO 65 1HB PRO 65 -6.071 13.702 2.404 523 HB3 PRO 65 2HB PRO 65 -7.059 12.380 2.992 524 HG2 PRO 65 1HG PRO 65 -4.135 12.750 3.216 525 HG3 PRO 65 2HG PRO 65 -5.181 11.689 4.138 526 HD2 PRO 65 1HD PRO 65 -3.422 10.932 2.003 527 HD3 PRO 65 2HD PRO 65 -4.553 9.893 2.847 528 H GLU 66 H GLU 66 -6.787 14.521 0.756 529 HA GLU 66 HA GLU 66 -6.091 16.179 -0.477 530 HB2 GLU 66 1HB GLU 66 -3.770 14.477 -0.466 531 HB3 GLU 66 2HB GLU 66 -3.945 15.124 -2.085 532 HG2 GLU 66 1HG GLU 66 -4.058 17.431 -1.190 533 HG3 GLU 66 2HG GLU 66 -4.004 16.824 0.453 534 H VAL 67 H VAL 67 -8.280 15.046 -1.384 535 HA VAL 67 HA VAL 67 -9.563 14.723 -3.152 536 HB VAL 67 HB VAL 67 -7.188 15.961 -4.546 537 HG11 VAL 67 1HG1 VAL 67 -8.574 16.281 -6.510 538 HG12 VAL 67 2HG1 VAL 67 -8.492 14.546 -6.124 539 HG13 VAL 67 3HG1 VAL 67 -9.950 15.481 -5.714 540 HG21 VAL 67 1HG2 VAL 67 -8.105 17.970 -4.091 541 HG22 VAL 67 2HG2 VAL 67 -9.764 17.395 -4.384 542 HG23 VAL 67 3HG2 VAL 67 -8.980 17.091 -2.815 543 H ASN 68 H ASN 68 -10.147 12.946 -4.383 544 HA ASN 68 HA ASN 68 -8.301 11.428 -5.793 545 HB2 ASN 68 1HB ASN 68 -8.616 9.299 -4.290 546 HB3 ASN 68 2HB ASN 68 -7.420 10.481 -3.795 547 HD21 ASN 68 1HD2 ASN 68 -9.355 8.485 -2.463 548 HD22 ASN 68 2HD2 ASN 68 -10.053 9.368 -1.146 549 H LYS 69 H LYS 69 -9.552 10.256 -7.297 550 HA LYS 69 HA LYS 69 -12.403 10.387 -6.993 551 HB2 LYS 69 1HB LYS 69 -10.660 10.478 -9.130 552 HB3 LYS 69 2HB LYS 69 -11.315 8.858 -9.258 553 HG2 LYS 69 1HG LYS 69 -13.630 10.177 -8.758 554 HG3 LYS 69 2HG LYS 69 -12.731 11.505 -9.465 555 HD2 LYS 69 1HD LYS 69 -13.271 10.675 -11.506 556 HD3 LYS 69 2HD LYS 69 -12.179 9.344 -11.183 557 HE2 LYS 69 1HE LYS 69 -13.973 7.973 -10.278 558 HE3 LYS 69 2HE LYS 69 -15.081 9.330 -10.245 559 HZ1 LYS 69 1HZ LYS 69 -15.333 7.813 -12.159 560 HZ2 LYS 69 2HZ LYS 69 -15.119 9.375 -12.584 561 HZ3 LYS 69 3HZ LYS 69 -13.886 8.314 -12.725 562 H GLY 70 H GLY 70 -13.043 9.045 -5.301 563 HA2 GLY 70 1HA GLY 70 -13.169 6.248 -5.922 564 HA3 GLY 70 2HA GLY 70 -12.061 6.589 -4.607 565 H SER 71 H SER 71 -15.449 7.097 -5.743 566 HA SER 71 HA SER 71 -16.370 8.133 -3.335 567 HB2 SER 71 1HB SER 71 -18.592 7.762 -4.240 568 HB3 SER 71 2HB SER 71 -17.548 8.284 -5.547 569 HG SER 71 HG SER 71 -18.757 6.508 -6.290 570 H GLY 72 H GLY 72 -15.553 6.818 -1.596 571 HA2 GLY 72 1HA GLY 72 -16.804 5.199 -0.146 572 HA3 GLY 72 2HA GLY 72 -16.667 4.080 -1.488 573 HA PRO 73 HA PRO 73 -12.374 4.762 0.467 574 HB2 PRO 73 1HB PRO 73 -12.308 5.692 3.036 575 HB3 PRO 73 2HB PRO 73 -12.059 6.719 1.639 576 HG2 PRO 73 1HG PRO 73 -14.438 6.503 3.381 577 HG3 PRO 73 2HG PRO 73 -14.004 7.787 2.270 578 HD2 PRO 73 1HD PRO 73 -15.972 5.745 1.846 579 HD3 PRO 73 2HD PRO 73 -15.456 6.958 0.692 580 H SER 74 H SER 74 -11.039 3.580 2.190 581 HA SER 74 HA SER 74 -12.768 1.408 3.088 582 HB2 SER 74 1HB SER 74 -11.102 0.865 1.235 583 HB3 SER 74 2HB SER 74 -9.812 1.208 2.370 584 HG SER 74 HG SER 74 -10.018 -0.854 2.915 585 H SER 75 H SER 75 -9.683 3.219 3.718 586 HA SER 75 HA SER 75 -8.532 3.539 5.545 587 HB2 SER 75 1HB SER 75 -11.117 4.592 5.895 588 HB3 SER 75 2HB SER 75 -10.790 3.783 7.414 589 HG SER 75 HG SER 75 -9.342 5.933 6.170 590 H GLY 76 H GLY 76 -7.613 1.397 5.758 591 HA2 GLY 76 1HA GLY 76 -7.456 0.150 8.042 592 HA3 GLY 76 2HA GLY 76 -9.018 -0.464 7.539 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -44.066 43.167 -24.343 2 HA2 GLY 1 1HA GLY 1 -41.620 43.492 -24.855 3 HA3 GLY 1 2HA GLY 1 -41.420 43.663 -23.122 4 H SER 2 H SER 2 -41.017 41.842 -21.927 5 HA SER 2 HA SER 2 -40.757 39.755 -21.395 6 HB2 SER 2 1HB SER 2 -43.229 39.471 -23.131 7 HB3 SER 2 2HB SER 2 -42.486 38.059 -22.407 8 HG SER 2 HG SER 2 -42.966 38.786 -20.358 9 H SER 3 H SER 3 -38.977 38.607 -22.046 10 HA SER 3 HA SER 3 -38.944 37.224 -24.460 11 HB2 SER 3 1HB SER 3 -37.413 38.422 -25.805 12 HB3 SER 3 2HB SER 3 -38.506 39.661 -25.220 13 HG SER 3 HG SER 3 -36.950 40.524 -23.956 14 H GLY 4 H GLY 4 -37.605 35.474 -24.098 15 HA2 GLY 4 1HA GLY 4 -35.276 34.887 -23.465 16 HA3 GLY 4 2HA GLY 4 -35.555 35.784 -21.986 17 H SER 5 H SER 5 -34.889 32.898 -22.337 18 HA SER 5 HA SER 5 -36.583 31.891 -20.413 19 HB2 SER 5 1HB SER 5 -38.282 31.807 -22.209 20 HB3 SER 5 2HB SER 5 -37.195 30.882 -23.226 21 HG SER 5 HG SER 5 -37.199 29.227 -21.462 22 H SER 6 H SER 6 -35.962 29.638 -19.817 23 HA SER 6 HA SER 6 -34.136 28.198 -21.326 24 HB2 SER 6 1HB SER 6 -32.900 30.379 -20.084 25 HB3 SER 6 2HB SER 6 -32.585 29.064 -18.968 26 HG SER 6 HG SER 6 -31.357 28.020 -20.448 27 H GLY 7 H GLY 7 -33.272 26.276 -20.019 28 HA2 GLY 7 1HA GLY 7 -33.899 25.733 -17.394 29 HA3 GLY 7 2HA GLY 7 -35.333 25.300 -18.304 30 H THR 8 H THR 8 -32.808 23.869 -16.917 31 HA THR 8 HA THR 8 -32.621 21.835 -19.025 32 HB THR 8 HB THR 8 -30.360 23.200 -17.487 33 HG1 THR 8 1HG THR 8 -29.705 23.391 -19.796 34 HG21 THR 8 1HG2 THR 8 -28.835 21.562 -18.498 35 HG22 THR 8 2HG2 THR 8 -30.034 20.673 -17.528 36 HG23 THR 8 3HG2 THR 8 -30.194 20.737 -19.300 37 H SER 9 H SER 9 -32.273 19.678 -18.278 38 HA SER 9 HA SER 9 -33.061 19.433 -15.483 39 HB2 SER 9 1HB SER 9 -34.678 18.560 -17.202 40 HB3 SER 9 2HB SER 9 -33.451 17.440 -17.760 41 HG SER 9 HG SER 9 -34.425 16.166 -16.302 42 H SER 10 H SER 10 -32.025 17.750 -14.185 43 HA SER 10 HA SER 10 -29.421 17.050 -15.284 44 HB2 SER 10 1HB SER 10 -30.260 18.161 -12.758 45 HB3 SER 10 2HB SER 10 -29.559 16.585 -12.445 46 HG SER 10 HG SER 10 -27.781 17.878 -12.457 47 H ASN 11 H ASN 11 -28.828 14.880 -15.454 48 HA ASN 11 HA ASN 11 -30.310 12.936 -13.972 49 HB2 ASN 11 1HB ASN 11 -30.942 11.622 -16.020 50 HB3 ASN 11 2HB ASN 11 -31.756 13.173 -15.964 51 HD21 ASN 11 1HD2 ASN 11 -31.244 11.534 -18.251 52 HD22 ASN 11 2HD2 ASN 11 -30.269 12.434 -19.365 53 HA PRO 12 HA PRO 12 -26.443 10.943 -14.524 54 HB2 PRO 12 1HB PRO 12 -27.056 8.312 -14.106 55 HB3 PRO 12 2HB PRO 12 -26.844 9.466 -12.804 56 HG2 PRO 12 1HG PRO 12 -29.349 8.315 -13.871 57 HG3 PRO 12 2HG PRO 12 -29.075 9.115 -12.336 58 HD2 PRO 12 1HD PRO 12 -30.353 10.232 -14.649 59 HD3 PRO 12 2HD PRO 12 -29.975 11.066 -13.155 60 H VAL 13 H VAL 13 -29.021 9.309 -16.279 61 HA VAL 13 HA VAL 13 -29.018 8.300 -18.253 62 HB VAL 13 HB VAL 13 -28.693 10.757 -18.768 63 HG11 VAL 13 1HG1 VAL 13 -26.424 11.089 -20.054 64 HG12 VAL 13 2HG1 VAL 13 -26.500 11.313 -18.290 65 HG13 VAL 13 3HG1 VAL 13 -25.852 9.800 -18.968 66 HG21 VAL 13 1HG2 VAL 13 -28.891 10.341 -21.009 67 HG22 VAL 13 2HG2 VAL 13 -27.526 9.199 -21.035 68 HG23 VAL 13 3HG2 VAL 13 -29.106 8.684 -20.397 69 H LEU 14 H LEU 14 -27.409 7.441 -20.156 70 HA LEU 14 HA LEU 14 -25.830 5.992 -20.682 71 HB2 LEU 14 1HB LEU 14 -24.272 7.290 -18.442 72 HB3 LEU 14 2HB LEU 14 -23.606 6.198 -19.640 73 HG LEU 14 HG LEU 14 -25.027 8.613 -20.658 74 HD11 LEU 14 1HD1 LEU 14 -23.679 9.421 -18.709 75 HD12 LEU 14 2HD1 LEU 14 -22.223 8.819 -19.538 76 HD13 LEU 14 3HD1 LEU 14 -23.202 10.107 -20.281 77 HD21 LEU 14 1HD2 LEU 14 -23.383 6.589 -21.715 78 HD22 LEU 14 2HD2 LEU 14 -24.022 8.028 -22.546 79 HD23 LEU 14 3HD2 LEU 14 -22.421 8.086 -21.770 80 H GLU 15 H GLU 15 -25.827 3.818 -20.379 81 HA GLU 15 HA GLU 15 -27.011 2.816 -18.044 82 HB2 GLU 15 1HB GLU 15 -25.919 1.706 -20.595 83 HB3 GLU 15 2HB GLU 15 -25.980 0.589 -19.247 84 HG2 GLU 15 1HG GLU 15 -28.438 2.240 -19.590 85 HG3 GLU 15 2HG GLU 15 -28.108 1.147 -20.919 86 H LEU 16 H LEU 16 -25.872 0.770 -16.922 87 HA LEU 16 HA LEU 16 -23.045 1.358 -16.493 88 HB2 LEU 16 1HB LEU 16 -23.376 1.169 -14.052 89 HB3 LEU 16 2HB LEU 16 -24.063 2.612 -14.770 90 HG LEU 16 HG LEU 16 -26.050 0.505 -14.654 91 HD11 LEU 16 1HD1 LEU 16 -24.351 0.054 -12.648 92 HD12 LEU 16 2HD1 LEU 16 -25.320 1.340 -11.890 93 HD13 LEU 16 3HD1 LEU 16 -26.111 -0.143 -12.477 94 HD21 LEU 16 1HD2 LEU 16 -26.406 2.835 -12.915 95 HD22 LEU 16 2HD2 LEU 16 -25.967 3.255 -14.588 96 HD23 LEU 16 3HD2 LEU 16 -27.397 2.244 -14.270 97 H GLU 17 H GLU 17 -22.231 -0.499 -17.378 98 HA GLU 17 HA GLU 17 -23.413 -2.965 -16.359 99 HB2 GLU 17 1HB GLU 17 -22.696 -4.063 -18.431 100 HB3 GLU 17 2HB GLU 17 -23.694 -2.673 -18.811 101 HG2 GLU 17 1HG GLU 17 -22.007 -1.671 -19.957 102 HG3 GLU 17 2HG GLU 17 -20.899 -1.857 -18.613 103 H LEU 18 H LEU 18 -21.686 -4.865 -16.454 104 HA LEU 18 HA LEU 18 -19.707 -4.270 -14.631 105 HB2 LEU 18 1HB LEU 18 -20.742 -6.524 -15.934 106 HB3 LEU 18 2HB LEU 18 -19.028 -6.533 -16.301 107 HG LEU 18 HG LEU 18 -19.020 -6.014 -13.597 108 HD11 LEU 18 1HD1 LEU 18 -21.630 -6.800 -14.071 109 HD12 LEU 18 2HD1 LEU 18 -20.838 -8.297 -13.521 110 HD13 LEU 18 3HD1 LEU 18 -20.781 -6.835 -12.507 111 HD21 LEU 18 1HD2 LEU 18 -18.836 -8.645 -15.084 112 HD22 LEU 18 2HD2 LEU 18 -17.511 -7.541 -14.644 113 HD23 LEU 18 3HD2 LEU 18 -18.388 -8.429 -13.375 114 H ALA 19 H ALA 19 -17.243 -5.020 -15.269 115 HA ALA 19 HA ALA 19 -16.301 -4.171 -17.771 116 HB1 ALA 19 1HB ALA 19 -17.115 -1.975 -16.625 117 HB2 ALA 19 2HB ALA 19 -15.677 -2.166 -15.594 118 HB3 ALA 19 3HB ALA 19 -15.493 -2.002 -17.357 119 H GLU 20 H GLU 20 -14.027 -4.558 -17.957 120 HA GLU 20 HA GLU 20 -12.556 -5.138 -15.597 121 HB2 GLU 20 1HB GLU 20 -14.001 -7.250 -16.202 122 HB3 GLU 20 2HB GLU 20 -12.857 -7.468 -17.511 123 HG2 GLU 20 1HG GLU 20 -11.178 -6.975 -15.338 124 HG3 GLU 20 2HG GLU 20 -12.486 -7.877 -14.598 125 H GLU 21 H GLU 21 -11.930 -3.152 -17.229 126 HA GLU 21 HA GLU 21 -10.173 -4.196 -19.279 127 HB2 GLU 21 1HB GLU 21 -11.884 -2.014 -19.232 128 HB3 GLU 21 2HB GLU 21 -10.335 -1.256 -18.918 129 HG2 GLU 21 1HG GLU 21 -10.941 -3.129 -21.256 130 HG3 GLU 21 2HG GLU 21 -10.826 -1.384 -21.361 131 H LYS 22 H LYS 22 -9.452 -4.708 -16.536 132 HA LYS 22 HA LYS 22 -7.840 -2.906 -15.304 133 HB2 LYS 22 1HB LYS 22 -8.531 -5.446 -14.826 134 HB3 LYS 22 2HB LYS 22 -6.911 -5.741 -15.424 135 HG2 LYS 22 1HG LYS 22 -6.239 -5.284 -13.291 136 HG3 LYS 22 2HG LYS 22 -6.457 -3.602 -13.734 137 HD2 LYS 22 1HD LYS 22 -7.811 -3.649 -11.853 138 HD3 LYS 22 2HD LYS 22 -9.006 -4.100 -13.052 139 HE2 LYS 22 1HE LYS 22 -8.158 -6.578 -12.537 140 HE3 LYS 22 2HE LYS 22 -7.577 -5.862 -11.047 141 HZ1 LYS 22 1HZ LYS 22 -10.004 -4.874 -11.112 142 HZ2 LYS 22 2HZ LYS 22 -10.287 -6.254 -11.938 143 HZ3 LYS 22 3HZ LYS 22 -9.666 -6.319 -10.429 144 H LEU 23 H LEU 23 -5.392 -2.829 -15.191 145 HA LEU 23 HA LEU 23 -4.300 -3.101 -17.906 146 HB2 LEU 23 1HB LEU 23 -4.289 -0.839 -15.988 147 HB3 LEU 23 2HB LEU 23 -2.796 -1.137 -16.855 148 HG LEU 23 HG LEU 23 -5.238 -1.089 -18.531 149 HD11 LEU 23 1HD1 LEU 23 -4.239 1.612 -17.784 150 HD12 LEU 23 2HD1 LEU 23 -5.859 1.080 -18.295 151 HD13 LEU 23 3HD1 LEU 23 -5.311 0.786 -16.627 152 HD21 LEU 23 1HD2 LEU 23 -2.393 -0.131 -18.718 153 HD22 LEU 23 2HD2 LEU 23 -3.271 -1.290 -19.745 154 HD23 LEU 23 3HD2 LEU 23 -3.631 0.450 -19.857 155 HA PRO 24 HA PRO 24 -1.080 -5.353 -16.124 156 HB2 PRO 24 1HB PRO 24 1.098 -4.684 -17.633 157 HB3 PRO 24 2HB PRO 24 -0.127 -5.817 -18.168 158 HG2 PRO 24 1HG PRO 24 0.312 -3.021 -19.022 159 HG3 PRO 24 2HG PRO 24 -0.604 -4.282 -19.823 160 HD2 PRO 24 1HD PRO 24 -1.665 -2.086 -18.314 161 HD3 PRO 24 2HD PRO 24 -2.572 -3.410 -19.016 162 H MET 25 H MET 25 1.539 -5.108 -15.579 163 HA MET 25 HA MET 25 1.414 -3.529 -13.298 164 HB2 MET 25 1HB MET 25 3.121 -5.480 -14.437 165 HB3 MET 25 2HB MET 25 4.141 -4.058 -14.338 166 HG2 MET 25 1HG MET 25 3.226 -3.848 -11.874 167 HG3 MET 25 2HG MET 25 2.724 -5.515 -12.077 168 HE1 MET 25 1HE MET 25 6.202 -4.887 -10.028 169 HE2 MET 25 2HE MET 25 4.566 -4.188 -10.066 170 HE3 MET 25 3HE MET 25 4.780 -5.938 -9.825 171 H THR 26 H THR 26 1.422 -1.329 -13.179 172 HA THR 26 HA THR 26 2.765 0.144 -15.328 173 HB THR 26 HB THR 26 1.393 2.052 -14.162 174 HG1 THR 26 1HG THR 26 0.537 1.199 -12.301 175 HG21 THR 26 1HG2 THR 26 0.213 -0.337 -15.620 176 HG22 THR 26 2HG2 THR 26 -0.871 0.919 -14.975 177 HG23 THR 26 3HG2 THR 26 0.368 1.345 -16.180 178 H LEU 27 H LEU 27 2.666 -0.234 -11.751 179 HA LEU 27 HA LEU 27 5.121 1.371 -11.669 180 HB2 LEU 27 1HB LEU 27 3.142 0.765 -9.468 181 HB3 LEU 27 2HB LEU 27 4.595 1.731 -9.307 182 HG LEU 27 HG LEU 27 2.374 2.459 -11.224 183 HD11 LEU 27 1HD1 LEU 27 1.788 4.164 -9.377 184 HD12 LEU 27 2HD1 LEU 27 1.216 2.487 -9.205 185 HD13 LEU 27 3HD1 LEU 27 2.633 3.044 -8.282 186 HD21 LEU 27 1HD2 LEU 27 3.440 4.785 -10.700 187 HD22 LEU 27 2HD2 LEU 27 4.847 3.816 -10.201 188 HD23 LEU 27 3HD2 LEU 27 4.220 3.685 -11.862 189 H SER 28 H SER 28 7.009 0.341 -11.278 190 HA SER 28 HA SER 28 6.883 -2.465 -10.801 191 HB2 SER 28 1HB SER 28 8.595 -0.908 -12.219 192 HB3 SER 28 2HB SER 28 9.494 -0.989 -10.718 193 HG SER 28 HG SER 28 8.437 -3.420 -11.789 194 H ARG 29 H ARG 29 8.456 -3.440 -9.078 195 HA ARG 29 HA ARG 29 7.614 -3.014 -6.642 196 HB2 ARG 29 1HB ARG 29 10.237 -3.538 -6.028 197 HB3 ARG 29 2HB ARG 29 9.119 -4.758 -6.603 198 HG2 ARG 29 1HG ARG 29 10.084 -4.864 -8.700 199 HG3 ARG 29 2HG ARG 29 10.435 -3.148 -8.747 200 HD2 ARG 29 1HD ARG 29 12.335 -3.483 -7.158 201 HD3 ARG 29 2HD ARG 29 11.975 -5.196 -7.076 202 HE ARG 29 HE ARG 29 12.277 -4.543 -9.824 203 HH11 ARG 29 2HH2 ARG 29 14.241 -4.639 -6.906 204 HH12 ARG 29 1HH2 ARG 29 15.718 -4.949 -7.757 205 HH21 ARG 29 2HH1 ARG 29 14.224 -4.953 -10.947 206 HH22 ARG 29 1HH1 ARG 29 15.708 -5.130 -10.071 207 H GLN 30 H GLN 30 10.779 -1.557 -7.728 208 HA GLN 30 HA GLN 30 11.180 0.059 -5.618 209 HB2 GLN 30 1HB GLN 30 12.678 -0.360 -7.658 210 HB3 GLN 30 2HB GLN 30 11.769 0.888 -8.489 211 HG2 GLN 30 1HG GLN 30 12.993 2.503 -7.475 212 HG3 GLN 30 2HG GLN 30 12.504 1.921 -5.896 213 HE21 GLN 30 1HE2 GLN 30 14.799 1.472 -8.537 214 HE22 GLN 30 2HE2 GLN 30 16.103 0.813 -7.606 215 H GLU 31 H GLU 31 9.362 0.898 -8.649 216 HA GLU 31 HA GLU 31 8.751 3.467 -7.975 217 HB2 GLU 31 1HB GLU 31 8.238 1.874 -10.108 218 HB3 GLU 31 2HB GLU 31 6.644 1.857 -9.379 219 HG2 GLU 31 1HG GLU 31 6.719 3.717 -10.940 220 HG3 GLU 31 2HG GLU 31 6.686 4.385 -9.320 221 H VAL 32 H VAL 32 7.518 0.447 -6.666 222 HA VAL 32 HA VAL 32 5.234 1.789 -5.463 223 HB VAL 32 HB VAL 32 6.164 -1.064 -5.702 224 HG11 VAL 32 1HG1 VAL 32 3.665 -1.162 -4.482 225 HG12 VAL 32 2HG1 VAL 32 5.231 -1.530 -3.720 226 HG13 VAL 32 3HG1 VAL 32 4.533 0.101 -3.577 227 HG21 VAL 32 1HG2 VAL 32 3.390 -0.282 -6.359 228 HG22 VAL 32 2HG2 VAL 32 4.645 0.472 -7.371 229 HG23 VAL 32 3HG2 VAL 32 4.542 -1.301 -7.255 230 H ILE 33 H ILE 33 8.484 0.549 -4.735 231 HA ILE 33 HA ILE 33 8.147 0.585 -1.920 232 HB ILE 33 HB ILE 33 10.503 0.436 -3.781 233 HG12 ILE 33 1HG1 ILE 33 9.757 -1.625 -1.742 234 HG13 ILE 33 2HG1 ILE 33 8.767 -1.482 -3.181 235 HG21 ILE 33 1HG2 ILE 33 11.803 1.278 -2.177 236 HG22 ILE 33 2HG2 ILE 33 10.502 1.216 -0.964 237 HG23 ILE 33 3HG2 ILE 33 11.486 -0.231 -1.289 238 HD11 ILE 33 1HD1 ILE 33 11.803 -1.690 -3.321 239 HD12 ILE 33 2HD1 ILE 33 10.740 -3.117 -3.331 240 HD13 ILE 33 3HD1 ILE 33 10.631 -1.917 -4.641 241 H ARG 34 H ARG 34 9.283 2.922 -4.402 242 HA ARG 34 HA ARG 34 10.385 4.774 -2.771 243 HB2 ARG 34 1HB ARG 34 10.316 4.858 -5.286 244 HB3 ARG 34 2HB ARG 34 8.622 5.301 -5.218 245 HG2 ARG 34 1HG ARG 34 9.901 7.134 -3.480 246 HG3 ARG 34 2HG ARG 34 10.996 6.986 -4.841 247 HD2 ARG 34 1HD ARG 34 8.870 7.295 -6.340 248 HD3 ARG 34 2HD ARG 34 8.076 7.843 -4.877 249 HE ARG 34 HE ARG 34 10.640 9.174 -5.329 250 HH11 ARG 34 2HH2 ARG 34 7.210 9.223 -6.115 251 HH12 ARG 34 1HH2 ARG 34 7.192 10.911 -6.503 252 HH21 ARG 34 2HH1 ARG 34 10.617 11.401 -5.841 253 HH22 ARG 34 1HH1 ARG 34 9.143 12.158 -6.347 254 H ARG 35 H ARG 35 6.976 4.934 -4.065 255 HA ARG 35 HA ARG 35 6.169 6.964 -2.443 256 HB2 ARG 35 1HB ARG 35 4.671 4.661 -3.755 257 HB3 ARG 35 2HB ARG 35 3.807 5.858 -2.812 258 HG2 ARG 35 1HG ARG 35 3.860 7.320 -4.543 259 HG3 ARG 35 2HG ARG 35 5.611 7.259 -4.581 260 HD2 ARG 35 1HD ARG 35 5.612 5.373 -6.104 261 HD3 ARG 35 2HD ARG 35 3.901 5.081 -5.858 262 HE ARG 35 HE ARG 35 5.101 7.178 -7.551 263 HH11 ARG 35 2HH2 ARG 35 2.187 5.979 -5.985 264 HH12 ARG 35 1HH2 ARG 35 1.114 6.854 -7.026 265 HH21 ARG 35 2HH1 ARG 35 3.686 8.333 -8.924 266 HH22 ARG 35 1HH1 ARG 35 1.972 8.202 -8.709 267 H LEU 36 H LEU 36 5.465 3.409 -2.011 268 HA LEU 36 HA LEU 36 4.207 3.413 0.344 269 HB2 LEU 36 1HB LEU 36 6.318 1.549 -0.719 270 HB3 LEU 36 2HB LEU 36 5.476 1.233 0.785 271 HG LEU 36 HG LEU 36 4.156 1.553 -1.925 272 HD11 LEU 36 1HD1 LEU 36 5.483 -0.484 -1.825 273 HD12 LEU 36 2HD1 LEU 36 4.699 -0.942 -0.294 274 HD13 LEU 36 3HD1 LEU 36 3.744 -0.865 -1.794 275 HD21 LEU 36 1HD2 LEU 36 2.611 2.273 -0.270 276 HD22 LEU 36 2HD2 LEU 36 2.155 0.612 -0.718 277 HD23 LEU 36 3HD2 LEU 36 3.023 0.916 0.806 278 H ARG 37 H ARG 37 7.832 3.285 0.057 279 HA ARG 37 HA ARG 37 8.450 3.397 2.640 280 HB2 ARG 37 1HB ARG 37 9.718 4.405 0.132 281 HB3 ARG 37 2HB ARG 37 10.346 5.132 1.598 282 HG2 ARG 37 1HG ARG 37 10.420 2.609 2.464 283 HG3 ARG 37 2HG ARG 37 10.390 2.226 0.754 284 HD2 ARG 37 1HD ARG 37 12.406 3.612 0.367 285 HD3 ARG 37 2HD ARG 37 12.406 4.130 2.041 286 HE ARG 37 HE ARG 37 12.459 1.221 1.775 287 HH11 ARG 37 2HH2 ARG 37 14.445 4.126 1.802 288 HH12 ARG 37 1HH2 ARG 37 15.887 3.290 2.275 289 HH21 ARG 37 2HH1 ARG 37 14.361 0.118 2.399 290 HH22 ARG 37 1HH1 ARG 37 15.838 0.995 2.617 291 H GLU 38 H GLU 38 8.008 6.321 0.506 292 HA GLU 38 HA GLU 38 8.314 8.190 2.474 293 HB2 GLU 38 1HB GLU 38 7.001 8.103 -0.215 294 HB3 GLU 38 2HB GLU 38 6.558 9.449 0.815 295 HG2 GLU 38 1HG GLU 38 9.153 9.709 1.202 296 HG3 GLU 38 2HG GLU 38 9.311 8.704 -0.225 297 H ARG 39 H ARG 39 5.439 6.266 1.532 298 HA ARG 39 HA ARG 39 3.690 7.773 3.145 299 HB2 ARG 39 1HB ARG 39 3.345 4.921 2.089 300 HB3 ARG 39 2HB ARG 39 2.058 5.976 2.638 301 HG2 ARG 39 1HG ARG 39 3.646 7.356 0.623 302 HG3 ARG 39 2HG ARG 39 3.156 5.791 0.006 303 HD2 ARG 39 1HD ARG 39 0.969 6.427 -0.178 304 HD3 ARG 39 2HD ARG 39 0.949 7.127 1.428 305 HE ARG 39 HE ARG 39 1.520 8.533 -1.091 306 HH11 ARG 39 2HH2 ARG 39 1.781 8.625 2.417 307 HH12 ARG 39 1HH2 ARG 39 1.937 10.349 2.488 308 HH21 ARG 39 2HH1 ARG 39 1.725 10.807 -0.998 309 HH22 ARG 39 1HH1 ARG 39 1.905 11.598 0.532 310 H GLY 40 H GLY 40 6.252 5.809 3.962 311 HA2 GLY 40 1HA GLY 40 6.903 4.972 5.958 312 HA3 GLY 40 2HA GLY 40 5.387 5.496 6.666 313 H GLU 41 H GLU 41 4.748 3.703 3.826 314 HA GLU 41 HA GLU 41 3.733 1.567 5.391 315 HB2 GLU 41 1HB GLU 41 3.883 1.840 2.356 316 HB3 GLU 41 2HB GLU 41 2.872 0.714 3.240 317 HG2 GLU 41 1HG GLU 41 2.583 3.590 4.018 318 HG3 GLU 41 2HG GLU 41 2.030 3.186 2.405 319 HA PRO 42 HA PRO 42 7.006 -1.236 4.890 320 HB2 PRO 42 1HB PRO 42 5.741 -3.659 4.905 321 HB3 PRO 42 2HB PRO 42 6.070 -2.741 6.361 322 HG2 PRO 42 1HG PRO 42 3.503 -3.108 4.941 323 HG3 PRO 42 2HG PRO 42 3.781 -2.570 6.585 324 HD2 PRO 42 1HD PRO 42 3.080 -0.930 4.339 325 HD3 PRO 42 2HD PRO 42 3.471 -0.381 5.957 326 H ILE 43 H ILE 43 8.328 -1.365 3.201 327 HA ILE 43 HA ILE 43 7.478 -1.346 0.627 328 HB ILE 43 HB ILE 43 9.727 -2.361 0.112 329 HG12 ILE 43 1HG1 ILE 43 10.106 -2.254 3.116 330 HG13 ILE 43 2HG1 ILE 43 9.827 -3.732 2.218 331 HG21 ILE 43 1HG2 ILE 43 9.880 -0.064 2.066 332 HG22 ILE 43 2HG2 ILE 43 10.883 -0.374 0.629 333 HG23 ILE 43 3HG2 ILE 43 9.178 0.101 0.439 334 HD11 ILE 43 1HD1 ILE 43 11.847 -3.166 0.781 335 HD12 ILE 43 2HD1 ILE 43 12.167 -1.805 1.883 336 HD13 ILE 43 3HD1 ILE 43 12.225 -3.476 2.493 337 H ARG 44 H ARG 44 8.017 -4.204 2.756 338 HA ARG 44 HA ARG 44 6.364 -5.675 0.895 339 HB2 ARG 44 1HB ARG 44 9.116 -6.054 0.930 340 HB3 ARG 44 2HB ARG 44 8.591 -7.269 2.078 341 HG2 ARG 44 1HG ARG 44 7.421 -6.954 -0.726 342 HG3 ARG 44 2HG ARG 44 8.693 -8.088 -0.318 343 HD2 ARG 44 1HD ARG 44 6.026 -8.077 1.158 344 HD3 ARG 44 2HD ARG 44 6.258 -8.992 -0.319 345 HE ARG 44 HE ARG 44 7.249 -9.702 2.300 346 HH11 ARG 44 2HH2 ARG 44 8.088 -9.859 -1.114 347 HH12 ARG 44 1HH2 ARG 44 9.095 -11.256 -0.933 348 HH21 ARG 44 2HH1 ARG 44 8.577 -11.545 2.539 349 HH22 ARG 44 1HH1 ARG 44 9.375 -12.222 1.159 350 H LEU 45 H LEU 45 4.747 -6.738 2.017 351 HA LEU 45 HA LEU 45 4.903 -6.731 4.897 352 HB2 LEU 45 1HB LEU 45 2.792 -7.174 2.835 353 HB3 LEU 45 2HB LEU 45 2.549 -7.850 4.433 354 HG LEU 45 HG LEU 45 3.154 -5.393 5.220 355 HD11 LEU 45 1HD1 LEU 45 2.476 -5.086 2.316 356 HD12 LEU 45 2HD1 LEU 45 1.963 -3.840 3.479 357 HD13 LEU 45 3HD1 LEU 45 3.689 -4.237 3.305 358 HD21 LEU 45 1HD2 LEU 45 0.917 -6.855 5.211 359 HD22 LEU 45 2HD2 LEU 45 0.954 -5.150 5.722 360 HD23 LEU 45 3HD2 LEU 45 0.411 -5.577 4.081 361 H PHE 46 H PHE 46 3.553 -8.994 5.681 362 HA PHE 46 HA PHE 46 5.588 -10.993 5.174 363 HB2 PHE 46 1HB PHE 46 4.410 -10.137 7.439 364 HB3 PHE 46 2HB PHE 46 3.123 -11.226 6.963 365 HD1 PHE 46 1HD PHE 46 6.644 -11.030 8.004 366 HD2 PHE 46 2HD PHE 46 3.386 -13.605 7.131 367 HE1 PHE 46 1HE PHE 46 7.881 -12.949 9.047 368 HE2 PHE 46 2HE PHE 46 4.623 -15.524 8.173 369 HZ PHE 46 HZ PHE 46 6.856 -15.173 9.119 370 H GLY 47 H GLY 47 4.889 -11.418 2.910 371 HA2 GLY 47 1HA GLY 47 3.973 -13.503 2.002 372 HA3 GLY 47 2HA GLY 47 2.482 -13.141 2.849 373 H GLU 48 H GLU 48 4.754 -11.142 0.824 374 HA GLU 48 HA GLU 48 2.554 -10.737 -1.016 375 HB2 GLU 48 1HB GLU 48 3.844 -8.652 0.690 376 HB3 GLU 48 2HB GLU 48 3.604 -8.212 -0.989 377 HG2 GLU 48 1HG GLU 48 1.161 -9.173 -0.621 378 HG3 GLU 48 2HG GLU 48 1.521 -8.966 1.081 379 H THR 49 H THR 49 3.362 -9.655 -3.111 380 HA THR 49 HA THR 49 6.209 -10.241 -3.548 381 HB THR 49 HB THR 49 5.338 -11.136 -5.848 382 HG1 THR 49 1HG THR 49 3.148 -10.496 -5.691 383 HG21 THR 49 1HG2 THR 49 4.632 -12.617 -3.260 384 HG22 THR 49 2HG2 THR 49 4.657 -13.365 -4.875 385 HG23 THR 49 3HG2 THR 49 6.164 -12.746 -4.157 386 H ASP 50 H ASP 50 6.351 -9.519 -6.232 387 HA ASP 50 HA ASP 50 6.632 -6.813 -6.000 388 HB2 ASP 50 1HB ASP 50 6.580 -8.803 -8.234 389 HB3 ASP 50 2HB ASP 50 6.335 -7.136 -8.715 390 H TYR 51 H TYR 51 4.012 -8.818 -7.520 391 HA TYR 51 HA TYR 51 2.484 -6.602 -8.392 392 HB2 TYR 51 1HB TYR 51 2.506 -9.088 -9.157 393 HB3 TYR 51 2HB TYR 51 1.695 -9.488 -7.656 394 HD1 TYR 51 2HD TYR 51 1.205 -6.843 -10.286 395 HD2 TYR 51 1HD TYR 51 -0.540 -9.988 -7.970 396 HE1 TYR 51 2HE TYR 51 -1.048 -6.407 -11.379 397 HE2 TYR 51 1HE TYR 51 -2.788 -9.542 -9.071 398 HH TYR 51 HH TYR 51 -3.877 -8.387 -10.528 399 H ASP 52 H ASP 52 1.875 -9.023 -5.740 400 HA ASP 52 HA ASP 52 -0.303 -7.966 -4.671 401 HB2 ASP 52 1HB ASP 52 1.582 -9.826 -3.880 402 HB3 ASP 52 2HB ASP 52 1.791 -8.604 -2.642 403 H ALA 53 H ALA 53 3.129 -6.993 -3.948 404 HA ALA 53 HA ALA 53 2.464 -4.971 -2.119 405 HB1 ALA 53 1HB ALA 53 4.789 -4.375 -2.294 406 HB2 ALA 53 2HB ALA 53 4.690 -6.147 -2.432 407 HB3 ALA 53 3HB ALA 53 4.930 -5.153 -3.889 408 H PHE 54 H PHE 54 3.178 -4.946 -5.671 409 HA PHE 54 HA PHE 54 3.058 -2.228 -6.051 410 HB2 PHE 54 1HB PHE 54 3.753 -3.616 -7.877 411 HB3 PHE 54 2HB PHE 54 2.447 -4.756 -7.626 412 HD1 PHE 54 1HD PHE 54 2.648 -1.089 -8.346 413 HD2 PHE 54 2HD PHE 54 0.998 -4.853 -9.402 414 HE1 PHE 54 1HE PHE 54 1.341 0.002 -10.190 415 HE2 PHE 54 2HE PHE 54 -0.310 -3.762 -11.246 416 HZ PHE 54 HZ PHE 54 -0.122 -1.348 -11.619 417 H GLN 55 H GLN 55 0.370 -4.663 -6.307 418 HA GLN 55 HA GLN 55 -1.578 -2.857 -6.988 419 HB2 GLN 55 1HB GLN 55 -1.766 -5.467 -5.425 420 HB3 GLN 55 2HB GLN 55 -3.165 -4.606 -6.036 421 HG2 GLN 55 1HG GLN 55 -0.933 -5.191 -7.976 422 HG3 GLN 55 2HG GLN 55 -1.936 -6.535 -7.467 423 HE21 GLN 55 1HE2 GLN 55 -1.624 -3.863 -9.498 424 HE22 GLN 55 2HE2 GLN 55 -3.218 -3.808 -10.173 425 H ARG 56 H ARG 56 -0.262 -3.795 -3.785 426 HA ARG 56 HA ARG 56 -2.204 -2.720 -2.210 427 HB2 ARG 56 1HB ARG 56 -0.024 -4.054 -1.609 428 HB3 ARG 56 2HB ARG 56 0.760 -2.488 -1.542 429 HG2 ARG 56 1HG ARG 56 -0.533 -1.763 0.305 430 HG3 ARG 56 2HG ARG 56 -1.823 -2.905 -0.017 431 HD2 ARG 56 1HD ARG 56 -0.350 -3.490 1.984 432 HD3 ARG 56 2HD ARG 56 -0.517 -4.770 0.798 433 HE ARG 56 HE ARG 56 1.771 -4.615 0.375 434 HH11 ARG 56 2HH2 ARG 56 0.687 -1.591 1.811 435 HH12 ARG 56 1HH2 ARG 56 2.281 -0.921 1.914 436 HH21 ARG 56 2HH1 ARG 56 3.874 -3.731 0.511 437 HH22 ARG 56 1HH1 ARG 56 4.106 -2.146 1.170 438 H LEU 57 H LEU 57 0.919 -1.155 -3.262 439 HA LEU 57 HA LEU 57 0.336 1.349 -2.208 440 HB2 LEU 57 1HB LEU 57 2.563 0.715 -2.769 441 HB3 LEU 57 2HB LEU 57 2.139 0.444 -4.448 442 HG LEU 57 HG LEU 57 3.428 2.588 -3.794 443 HD11 LEU 57 1HD1 LEU 57 1.779 1.925 -5.914 444 HD12 LEU 57 2HD1 LEU 57 1.199 3.535 -5.424 445 HD13 LEU 57 3HD1 LEU 57 2.912 3.296 -5.844 446 HD21 LEU 57 1HD2 LEU 57 1.895 4.521 -3.304 447 HD22 LEU 57 2HD2 LEU 57 0.631 3.330 -2.913 448 HD23 LEU 57 3HD2 LEU 57 2.134 3.377 -1.961 449 H ARG 58 H ARG 58 -0.105 0.060 -5.572 450 HA ARG 58 HA ARG 58 -1.061 2.254 -6.749 451 HB2 ARG 58 1HB ARG 58 -1.116 -0.569 -7.235 452 HB3 ARG 58 2HB ARG 58 -2.750 0.001 -7.514 453 HG2 ARG 58 1HG ARG 58 -0.538 1.672 -8.670 454 HG3 ARG 58 2HG ARG 58 -0.797 0.105 -9.410 455 HD2 ARG 58 1HD ARG 58 -3.335 1.537 -8.918 456 HD3 ARG 58 2HD ARG 58 -2.251 2.446 -9.953 457 HE ARG 58 HE ARG 58 -2.129 -0.112 -11.011 458 HH11 ARG 58 2HH2 ARG 58 -4.764 2.098 -10.267 459 HH12 ARG 58 1HH2 ARG 58 -5.796 1.493 -11.519 460 HH21 ARG 58 2HH1 ARG 58 -3.490 -0.912 -12.663 461 HH22 ARG 58 1HH1 ARG 58 -5.066 -0.231 -12.891 462 H LYS 59 H LYS 59 -2.574 0.362 -4.199 463 HA LYS 59 HA LYS 59 -5.174 1.571 -4.689 464 HB2 LYS 59 1HB LYS 59 -5.314 -0.736 -4.204 465 HB3 LYS 59 2HB LYS 59 -4.172 -0.628 -2.880 466 HG2 LYS 59 1HG LYS 59 -6.395 -0.795 -1.917 467 HG3 LYS 59 2HG LYS 59 -5.817 0.835 -1.632 468 HD2 LYS 59 1HD LYS 59 -7.042 1.217 -4.044 469 HD3 LYS 59 2HD LYS 59 -8.009 -0.116 -3.444 470 HE2 LYS 59 1HE LYS 59 -8.222 1.249 -1.236 471 HE3 LYS 59 2HE LYS 59 -7.583 2.605 -2.143 472 HZ1 LYS 59 1HZ LYS 59 -10.143 1.981 -2.051 473 HZ2 LYS 59 2HZ LYS 59 -9.469 2.795 -3.296 474 HZ3 LYS 59 3HZ LYS 59 -9.730 1.187 -3.418 475 H ILE 60 H ILE 60 -2.364 1.693 -2.487 476 HA ILE 60 HA ILE 60 -3.573 3.235 -0.492 477 HB ILE 60 HB ILE 60 -0.729 2.809 -1.374 478 HG12 ILE 60 1HG1 ILE 60 -2.452 1.778 0.884 479 HG13 ILE 60 2HG1 ILE 60 -1.668 0.864 -0.388 480 HG21 ILE 60 1HG2 ILE 60 -1.572 4.318 1.111 481 HG22 ILE 60 2HG2 ILE 60 0.078 4.028 0.509 482 HG23 ILE 60 3HG2 ILE 60 -1.021 5.100 -0.390 483 HD11 ILE 60 1HD1 ILE 60 -0.456 0.714 1.803 484 HD12 ILE 60 2HD1 ILE 60 0.554 1.407 0.512 485 HD13 ILE 60 3HD1 ILE 60 -0.177 2.470 1.738 486 H GLU 61 H GLU 61 -1.772 4.116 -3.499 487 HA GLU 61 HA GLU 61 -1.673 6.807 -3.078 488 HB2 GLU 61 1HB GLU 61 -2.016 5.258 -5.682 489 HB3 GLU 61 2HB GLU 61 -1.604 6.960 -5.613 490 HG2 GLU 61 1HG GLU 61 0.035 4.818 -4.189 491 HG3 GLU 61 2HG GLU 61 0.370 5.322 -5.834 492 H ILE 62 H ILE 62 -4.342 4.783 -4.405 493 HA ILE 62 HA ILE 62 -5.981 6.873 -5.234 494 HB ILE 62 HB ILE 62 -6.692 4.112 -4.237 495 HG12 ILE 62 1HG1 ILE 62 -6.354 5.012 -7.104 496 HG13 ILE 62 2HG1 ILE 62 -5.030 4.343 -6.172 497 HG21 ILE 62 1HG2 ILE 62 -8.827 4.622 -4.531 498 HG22 ILE 62 2HG2 ILE 62 -8.377 6.303 -4.904 499 HG23 ILE 62 3HG2 ILE 62 -8.498 5.104 -6.213 500 HD11 ILE 62 1HD1 ILE 62 -7.566 3.000 -7.106 501 HD12 ILE 62 2HD1 ILE 62 -5.887 2.411 -7.168 502 HD13 ILE 62 3HD1 ILE 62 -6.776 2.408 -5.625 503 H LEU 63 H LEU 63 -5.921 5.042 -2.098 504 HA LEU 63 HA LEU 63 -7.943 6.348 -0.831 505 HB2 LEU 63 1HB LEU 63 -5.369 5.143 0.132 506 HB3 LEU 63 2HB LEU 63 -6.472 5.908 1.259 507 HG LEU 63 HG LEU 63 -7.615 3.865 -0.591 508 HD11 LEU 63 1HD1 LEU 63 -5.282 3.166 0.568 509 HD12 LEU 63 2HD1 LEU 63 -6.414 2.755 1.878 510 HD13 LEU 63 3HD1 LEU 63 -6.619 2.031 0.265 511 HD21 LEU 63 1HD2 LEU 63 -8.987 3.334 1.358 512 HD22 LEU 63 2HD2 LEU 63 -8.054 4.485 2.343 513 HD23 LEU 63 3HD2 LEU 63 -9.044 5.073 0.986 514 H THR 64 H THR 64 -4.431 7.249 -0.522 515 HA THR 64 HA THR 64 -4.761 9.597 0.818 516 HB THR 64 HB THR 64 -2.769 8.690 -1.313 517 HG1 THR 64 1HG THR 64 -1.634 8.216 0.661 518 HG21 THR 64 1HG2 THR 64 -2.950 11.315 -0.839 519 HG22 THR 64 2HG2 THR 64 -2.203 10.871 0.714 520 HG23 THR 64 3HG2 THR 64 -1.360 10.516 -0.813 521 HA PRO 65 HA PRO 65 -6.745 12.326 -1.839 522 HB2 PRO 65 1HB PRO 65 -6.123 14.705 -0.647 523 HB3 PRO 65 2HB PRO 65 -7.404 13.655 -0.078 524 HG2 PRO 65 1HG PRO 65 -4.722 14.102 1.081 525 HG3 PRO 65 2HG PRO 65 -6.143 13.410 1.838 526 HD2 PRO 65 1HD PRO 65 -3.851 11.986 0.867 527 HD3 PRO 65 2HD PRO 65 -5.321 11.288 1.517 528 H GLU 66 H GLU 66 -3.617 13.718 -0.937 529 HA GLU 66 HA GLU 66 -3.360 14.973 -3.414 530 HB2 GLU 66 1HB GLU 66 -1.876 14.764 -0.937 531 HB3 GLU 66 2HB GLU 66 -0.766 14.544 -2.275 532 HG2 GLU 66 1HG GLU 66 -1.636 16.647 -3.332 533 HG3 GLU 66 2HG GLU 66 -2.726 16.870 -1.978 534 H VAL 67 H VAL 67 -3.084 13.982 -5.362 535 HA VAL 67 HA VAL 67 -0.974 12.139 -5.743 536 HB VAL 67 HB VAL 67 -2.523 10.609 -4.677 537 HG11 VAL 67 1HG1 VAL 67 -4.739 10.307 -5.231 538 HG12 VAL 67 2HG1 VAL 67 -4.560 12.048 -5.551 539 HG13 VAL 67 3HG1 VAL 67 -4.519 10.886 -6.899 540 HG21 VAL 67 1HG2 VAL 67 -1.081 9.845 -6.572 541 HG22 VAL 67 2HG2 VAL 67 -2.561 8.879 -6.359 542 HG23 VAL 67 3HG2 VAL 67 -2.465 10.083 -7.666 543 H ASN 68 H ASN 68 -0.232 12.564 -7.760 544 HA ASN 68 HA ASN 68 -1.946 14.109 -9.460 545 HB2 ASN 68 1HB ASN 68 0.904 13.796 -9.051 546 HB3 ASN 68 2HB ASN 68 0.567 13.418 -10.729 547 HD21 ASN 68 1HD2 ASN 68 -0.648 14.943 -12.001 548 HD22 ASN 68 2HD2 ASN 68 -0.539 16.642 -11.680 549 H LYS 69 H LYS 69 -3.484 12.630 -10.365 550 HA LYS 69 HA LYS 69 -2.304 10.574 -12.087 551 HB2 LYS 69 1HB LYS 69 -3.458 9.857 -9.773 552 HB3 LYS 69 2HB LYS 69 -4.905 9.973 -10.755 553 HG2 LYS 69 1HG LYS 69 -4.166 7.717 -11.022 554 HG3 LYS 69 2HG LYS 69 -3.689 8.521 -12.504 555 HD2 LYS 69 1HD LYS 69 -1.415 8.975 -11.211 556 HD3 LYS 69 2HD LYS 69 -1.949 7.666 -10.176 557 HE2 LYS 69 1HE LYS 69 -1.242 6.157 -11.712 558 HE3 LYS 69 2HE LYS 69 -2.384 6.799 -12.875 559 HZ1 LYS 69 1HZ LYS 69 -0.807 8.200 -13.739 560 HZ2 LYS 69 2HZ LYS 69 0.141 8.182 -12.409 561 HZ3 LYS 69 3HZ LYS 69 0.093 6.882 -13.396 562 H GLY 70 H GLY 70 -2.690 11.254 -14.125 563 HA2 GLY 70 1HA GLY 70 -4.957 12.971 -14.680 564 HA3 GLY 70 2HA GLY 70 -3.688 12.476 -15.782 565 H SER 71 H SER 71 -6.948 11.982 -14.804 566 HA SER 71 HA SER 71 -7.044 9.644 -16.538 567 HB2 SER 71 1HB SER 71 -7.672 9.720 -13.756 568 HB3 SER 71 2HB SER 71 -9.207 9.618 -14.594 569 HG SER 71 HG SER 71 -7.049 7.894 -15.381 570 H GLY 72 H GLY 72 -9.418 9.294 -17.364 571 HA2 GLY 72 1HA GLY 72 -10.868 11.847 -17.571 572 HA3 GLY 72 2HA GLY 72 -10.349 11.028 -19.031 573 HA PRO 73 HA PRO 73 -14.351 9.208 -18.235 574 HB2 PRO 73 1HB PRO 73 -15.125 8.997 -20.847 575 HB3 PRO 73 2HB PRO 73 -15.474 10.398 -19.854 576 HG2 PRO 73 1HG PRO 73 -13.463 10.103 -22.001 577 HG3 PRO 73 2HG PRO 73 -14.116 11.572 -21.303 578 HD2 PRO 73 1HD PRO 73 -11.543 10.418 -20.777 579 HD3 PRO 73 2HD PRO 73 -12.243 11.821 -19.994 580 H SER 74 H SER 74 -15.433 7.132 -18.852 581 HA SER 74 HA SER 74 -13.751 5.319 -20.226 582 HB2 SER 74 1HB SER 74 -13.528 3.733 -18.244 583 HB3 SER 74 2HB SER 74 -12.518 5.164 -18.175 584 HG SER 74 HG SER 74 -14.799 4.474 -16.614 585 H SER 75 H SER 75 -15.565 4.817 -21.506 586 HA SER 75 HA SER 75 -17.450 3.907 -22.074 587 HB2 SER 75 1HB SER 75 -16.454 1.963 -20.770 588 HB3 SER 75 2HB SER 75 -17.415 2.459 -19.391 589 HG SER 75 HG SER 75 -19.346 2.155 -20.699 590 H GLY 76 H GLY 76 -18.512 6.026 -21.931 591 HA2 GLY 76 1HA GLY 76 -19.799 6.881 -19.538 592 HA3 GLY 76 2HA GLY 76 -20.009 7.526 -21.154 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -51.196 36.064 -13.623 2 HA2 GLY 1 1HA GLY 1 -49.989 38.427 -14.734 3 HA3 GLY 1 2HA GLY 1 -49.319 37.339 -13.534 4 H SER 2 H SER 2 -47.536 38.199 -15.368 5 HA SER 2 HA SER 2 -46.798 35.791 -16.618 6 HB2 SER 2 1HB SER 2 -48.520 36.835 -18.242 7 HB3 SER 2 2HB SER 2 -47.334 38.092 -18.536 8 HG SER 2 HG SER 2 -46.576 35.330 -18.771 9 H SER 3 H SER 3 -44.629 36.128 -17.849 10 HA SER 3 HA SER 3 -42.592 36.872 -17.897 11 HB2 SER 3 1HB SER 3 -43.979 39.529 -17.394 12 HB3 SER 3 2HB SER 3 -42.237 39.432 -17.554 13 HG SER 3 HG SER 3 -42.769 39.710 -19.642 14 H GLY 4 H GLY 4 -40.817 36.902 -16.457 15 HA2 GLY 4 1HA GLY 4 -39.923 37.773 -14.363 16 HA3 GLY 4 2HA GLY 4 -41.483 37.462 -13.628 17 H SER 5 H SER 5 -38.359 36.231 -14.121 18 HA SER 5 HA SER 5 -38.850 33.954 -12.667 19 HB2 SER 5 1HB SER 5 -39.954 32.863 -14.447 20 HB3 SER 5 2HB SER 5 -38.914 33.573 -15.666 21 HG SER 5 HG SER 5 -37.291 32.126 -15.209 22 H SER 6 H SER 6 -36.823 32.662 -12.374 23 HA SER 6 HA SER 6 -34.528 33.094 -13.777 24 HB2 SER 6 1HB SER 6 -35.089 35.213 -11.755 25 HB3 SER 6 2HB SER 6 -33.478 34.527 -11.678 26 HG SER 6 HG SER 6 -33.225 35.018 -13.967 27 H GLY 7 H GLY 7 -32.831 31.761 -12.933 28 HA2 GLY 7 1HA GLY 7 -32.479 30.937 -10.333 29 HA3 GLY 7 2HA GLY 7 -33.666 29.834 -10.999 30 H THR 8 H THR 8 -31.284 28.731 -10.236 31 HA THR 8 HA THR 8 -30.348 27.601 -12.658 32 HB THR 8 HB THR 8 -29.168 29.860 -12.664 33 HG1 THR 8 1HG THR 8 -27.320 28.718 -13.339 34 HG21 THR 8 1HG2 THR 8 -27.147 29.934 -11.090 35 HG22 THR 8 2HG2 THR 8 -28.710 30.230 -10.290 36 HG23 THR 8 3HG2 THR 8 -27.924 28.640 -10.147 37 H SER 9 H SER 9 -29.065 25.731 -12.317 38 HA SER 9 HA SER 9 -28.025 25.083 -9.838 39 HB2 SER 9 1HB SER 9 -30.900 24.490 -10.196 40 HB3 SER 9 2HB SER 9 -29.961 23.076 -9.759 41 HG SER 9 HG SER 9 -29.413 23.961 -7.816 42 H SER 10 H SER 10 -27.148 22.817 -9.840 43 HA SER 10 HA SER 10 -27.579 21.060 -11.901 44 HB2 SER 10 1HB SER 10 -25.511 21.357 -13.266 45 HB3 SER 10 2HB SER 10 -26.614 22.711 -13.420 46 HG SER 10 HG SER 10 -25.306 23.958 -12.022 47 H ASN 11 H ASN 11 -25.861 19.269 -11.894 48 HA ASN 11 HA ASN 11 -23.810 19.363 -10.011 49 HB2 ASN 11 1HB ASN 11 -24.759 17.668 -8.387 50 HB3 ASN 11 2HB ASN 11 -25.582 19.213 -8.318 51 HD21 ASN 11 1HD2 ASN 11 -26.021 15.987 -8.344 52 HD22 ASN 11 2HD2 ASN 11 -27.628 15.855 -8.978 53 HA PRO 12 HA PRO 12 -23.471 16.056 -13.023 54 HB2 PRO 12 1HB PRO 12 -20.759 16.180 -13.336 55 HB3 PRO 12 2HB PRO 12 -21.879 17.125 -14.297 56 HG2 PRO 12 1HG PRO 12 -20.145 18.008 -12.072 57 HG3 PRO 12 2HG PRO 12 -20.932 18.977 -13.301 58 HD2 PRO 12 1HD PRO 12 -21.753 18.672 -10.569 59 HD3 PRO 12 2HD PRO 12 -22.603 19.547 -11.827 60 H VAL 13 H VAL 13 -21.426 16.459 -10.204 61 HA VAL 13 HA VAL 13 -20.470 14.946 -8.879 62 HB VAL 13 HB VAL 13 -23.020 14.943 -8.447 63 HG11 VAL 13 1HG1 VAL 13 -23.957 12.577 -8.636 64 HG12 VAL 13 2HG1 VAL 13 -23.832 13.507 -10.148 65 HG13 VAL 13 3HG1 VAL 13 -22.629 12.250 -9.774 66 HG21 VAL 13 1HG2 VAL 13 -22.522 13.947 -6.491 67 HG22 VAL 13 2HG2 VAL 13 -21.971 12.450 -7.280 68 HG23 VAL 13 3HG2 VAL 13 -20.869 13.840 -7.141 69 H LEU 14 H LEU 14 -20.543 12.179 -8.597 70 HA LEU 14 HA LEU 14 -20.378 10.792 -11.023 71 HB2 LEU 14 1HB LEU 14 -18.031 10.563 -11.341 72 HB3 LEU 14 2HB LEU 14 -18.454 12.263 -11.401 73 HG LEU 14 HG LEU 14 -17.573 11.254 -8.753 74 HD11 LEU 14 1HD1 LEU 14 -16.116 10.287 -10.816 75 HD12 LEU 14 2HD1 LEU 14 -15.315 11.856 -10.566 76 HD13 LEU 14 3HD1 LEU 14 -15.442 10.697 -9.221 77 HD21 LEU 14 1HD2 LEU 14 -18.080 13.711 -9.789 78 HD22 LEU 14 2HD2 LEU 14 -17.023 13.404 -8.390 79 HD23 LEU 14 3HD2 LEU 14 -16.316 13.612 -10.010 80 H GLU 15 H GLU 15 -20.599 8.656 -10.536 81 HA GLU 15 HA GLU 15 -19.373 7.610 -8.201 82 HB2 GLU 15 1HB GLU 15 -21.602 8.760 -7.457 83 HB3 GLU 15 2HB GLU 15 -22.401 7.420 -8.255 84 HG2 GLU 15 1HG GLU 15 -21.488 5.811 -6.766 85 HG3 GLU 15 2HG GLU 15 -20.172 6.861 -6.278 86 H LEU 16 H LEU 16 -18.430 5.926 -9.317 87 HA LEU 16 HA LEU 16 -20.037 3.774 -10.119 88 HB2 LEU 16 1HB LEU 16 -20.635 4.435 -12.147 89 HB3 LEU 16 2HB LEU 16 -19.522 5.788 -12.142 90 HG LEU 16 HG LEU 16 -17.683 4.103 -12.708 91 HD11 LEU 16 1HD1 LEU 16 -18.880 2.130 -14.066 92 HD12 LEU 16 2HD1 LEU 16 -18.384 1.975 -12.363 93 HD13 LEU 16 3HD1 LEU 16 -20.078 2.343 -12.767 94 HD21 LEU 16 1HD2 LEU 16 -17.989 4.418 -14.991 95 HD22 LEU 16 2HD2 LEU 16 -19.761 4.284 -14.878 96 HD23 LEU 16 3HD2 LEU 16 -18.937 5.739 -14.266 97 H GLU 17 H GLU 17 -18.815 2.038 -9.618 98 HA GLU 17 HA GLU 17 -16.094 1.976 -10.434 99 HB2 GLU 17 1HB GLU 17 -16.811 2.643 -7.635 100 HB3 GLU 17 2HB GLU 17 -15.687 1.306 -7.773 101 HG2 GLU 17 1HG GLU 17 -13.995 2.743 -8.222 102 HG3 GLU 17 2HG GLU 17 -14.840 3.324 -9.643 103 H LEU 18 H LEU 18 -15.413 -0.160 -10.731 104 HA LEU 18 HA LEU 18 -17.081 -2.234 -9.520 105 HB2 LEU 18 1HB LEU 18 -16.774 -3.389 -11.850 106 HB3 LEU 18 2HB LEU 18 -18.116 -2.311 -11.523 107 HG LEU 18 HG LEU 18 -15.585 -1.271 -12.785 108 HD11 LEU 18 1HD1 LEU 18 -15.919 -2.315 -14.713 109 HD12 LEU 18 2HD1 LEU 18 -17.175 -3.299 -13.923 110 HD13 LEU 18 3HD1 LEU 18 -17.619 -1.790 -14.756 111 HD21 LEU 18 1HD2 LEU 18 -16.713 0.635 -13.100 112 HD22 LEU 18 2HD2 LEU 18 -18.198 -0.208 -13.601 113 HD23 LEU 18 3HD2 LEU 18 -17.834 0.001 -11.871 114 H ALA 19 H ALA 19 -15.916 -4.497 -10.198 115 HA ALA 19 HA ALA 19 -13.030 -4.074 -9.882 116 HB1 ALA 19 1HB ALA 19 -13.479 -6.326 -8.400 117 HB2 ALA 19 2HB ALA 19 -13.373 -4.686 -7.716 118 HB3 ALA 19 3HB ALA 19 -14.964 -5.404 -8.063 119 H GLU 20 H GLU 20 -12.864 -4.501 -12.177 120 HA GLU 20 HA GLU 20 -12.514 -7.219 -12.702 121 HB2 GLU 20 1HB GLU 20 -15.139 -6.073 -13.404 122 HB3 GLU 20 2HB GLU 20 -14.324 -6.773 -14.789 123 HG2 GLU 20 1HG GLU 20 -14.678 -8.891 -14.042 124 HG3 GLU 20 2HG GLU 20 -14.036 -8.515 -12.455 125 H GLU 21 H GLU 21 -12.098 -7.475 -15.270 126 HA GLU 21 HA GLU 21 -10.558 -6.949 -16.748 127 HB2 GLU 21 1HB GLU 21 -12.753 -4.976 -16.896 128 HB3 GLU 21 2HB GLU 21 -11.287 -4.425 -17.683 129 HG2 GLU 21 1HG GLU 21 -12.736 -5.681 -19.264 130 HG3 GLU 21 2HG GLU 21 -11.192 -6.481 -19.048 131 H LYS 22 H LYS 22 -9.664 -6.322 -14.084 132 HA LYS 22 HA LYS 22 -8.686 -3.799 -13.693 133 HB2 LYS 22 1HB LYS 22 -8.630 -6.046 -12.275 134 HB3 LYS 22 2HB LYS 22 -7.006 -6.156 -12.924 135 HG2 LYS 22 1HG LYS 22 -6.247 -4.344 -11.717 136 HG3 LYS 22 2HG LYS 22 -7.746 -3.455 -11.901 137 HD2 LYS 22 1HD LYS 22 -8.732 -5.309 -10.276 138 HD3 LYS 22 2HD LYS 22 -7.052 -5.590 -9.865 139 HE2 LYS 22 1HE LYS 22 -6.835 -3.084 -9.394 140 HE3 LYS 22 2HE LYS 22 -8.568 -2.950 -9.617 141 HZ1 LYS 22 1HZ LYS 22 -7.491 -3.451 -7.299 142 HZ2 LYS 22 2HZ LYS 22 -8.964 -4.031 -7.702 143 HZ3 LYS 22 3HZ LYS 22 -7.651 -4.998 -7.799 144 H LEU 23 H LEU 23 -6.286 -3.123 -13.793 145 HA LEU 23 HA LEU 23 -5.399 -3.667 -16.523 146 HB2 LEU 23 1HB LEU 23 -5.073 -1.387 -14.607 147 HB3 LEU 23 2HB LEU 23 -3.903 -1.615 -15.893 148 HG LEU 23 HG LEU 23 -6.612 -1.755 -16.933 149 HD11 LEU 23 1HD1 LEU 23 -7.585 -0.258 -15.570 150 HD12 LEU 23 2HD1 LEU 23 -6.032 0.374 -14.973 151 HD13 LEU 23 3HD1 LEU 23 -6.679 0.932 -16.535 152 HD21 LEU 23 1HD2 LEU 23 -4.959 0.518 -17.735 153 HD22 LEU 23 2HD2 LEU 23 -4.096 -1.036 -17.815 154 HD23 LEU 23 3HD2 LEU 23 -5.624 -0.821 -18.701 155 HA PRO 24 HA PRO 24 -1.926 -5.805 -15.115 156 HB2 PRO 24 1HB PRO 24 -0.101 -5.324 -17.091 157 HB3 PRO 24 2HB PRO 24 -1.388 -6.504 -17.242 158 HG2 PRO 24 1HG PRO 24 -1.175 -3.825 -18.475 159 HG3 PRO 24 2HG PRO 24 -2.209 -5.165 -18.931 160 HD2 PRO 24 1HD PRO 24 -2.989 -2.806 -17.499 161 HD3 PRO 24 2HD PRO 24 -3.994 -4.197 -17.854 162 H MET 25 H MET 25 0.612 -5.657 -14.807 163 HA MET 25 HA MET 25 0.958 -3.824 -12.842 164 HB2 MET 25 1HB MET 25 2.515 -5.772 -14.280 165 HB3 MET 25 2HB MET 25 3.479 -4.310 -14.248 166 HG2 MET 25 1HG MET 25 2.767 -4.266 -11.667 167 HG3 MET 25 2HG MET 25 2.486 -5.977 -11.926 168 HE1 MET 25 1HE MET 25 5.233 -5.327 -9.831 169 HE2 MET 25 2HE MET 25 3.884 -6.424 -10.212 170 HE3 MET 25 3HE MET 25 5.561 -6.941 -10.504 171 H THR 26 H THR 26 1.942 -1.747 -12.655 172 HA THR 26 HA THR 26 2.493 -0.389 -15.202 173 HB THR 26 HB THR 26 1.285 1.615 -14.069 174 HG1 THR 26 1HG THR 26 0.359 1.074 -12.119 175 HG21 THR 26 1HG2 THR 26 0.223 -0.522 -15.606 176 HG22 THR 26 2HG2 THR 26 -0.893 -0.348 -14.230 177 HG23 THR 26 3HG2 THR 26 -0.564 1.043 -15.291 178 H LEU 27 H LEU 27 2.753 -0.237 -11.594 179 HA LEU 27 HA LEU 27 5.238 1.257 -11.980 180 HB2 LEU 27 1HB LEU 27 3.870 0.802 -9.349 181 HB3 LEU 27 2HB LEU 27 4.986 2.071 -9.812 182 HG LEU 27 HG LEU 27 2.244 1.847 -11.056 183 HD11 LEU 27 1HD1 LEU 27 2.523 2.113 -8.371 184 HD12 LEU 27 2HD1 LEU 27 2.597 3.816 -8.882 185 HD13 LEU 27 3HD1 LEU 27 1.191 2.815 -9.320 186 HD21 LEU 27 1HD2 LEU 27 3.052 4.518 -10.819 187 HD22 LEU 27 2HD2 LEU 27 4.506 3.629 -11.334 188 HD23 LEU 27 3HD2 LEU 27 3.010 3.523 -12.294 189 H SER 28 H SER 28 7.224 0.444 -11.354 190 HA SER 28 HA SER 28 7.261 -2.381 -10.960 191 HB2 SER 28 1HB SER 28 9.794 -1.994 -10.997 192 HB3 SER 28 2HB SER 28 8.924 -1.543 -12.450 193 HG SER 28 HG SER 28 10.528 0.010 -10.978 194 H ARG 29 H ARG 29 8.842 -3.300 -9.216 195 HA ARG 29 HA ARG 29 7.908 -2.973 -6.794 196 HB2 ARG 29 1HB ARG 29 10.519 -3.397 -6.104 197 HB3 ARG 29 2HB ARG 29 9.495 -4.649 -6.778 198 HG2 ARG 29 1HG ARG 29 10.764 -2.916 -8.831 199 HG3 ARG 29 2HG ARG 29 11.915 -3.807 -7.856 200 HD2 ARG 29 1HD ARG 29 11.421 -5.750 -8.927 201 HD3 ARG 29 2HD ARG 29 9.713 -5.568 -8.584 202 HE ARG 29 HE ARG 29 9.417 -4.867 -10.784 203 HH11 ARG 29 2HH2 ARG 29 12.738 -4.185 -9.839 204 HH12 ARG 29 1HH2 ARG 29 13.194 -3.589 -11.400 205 HH21 ARG 29 2HH1 ARG 29 10.019 -4.082 -12.843 206 HH22 ARG 29 1HH1 ARG 29 11.638 -3.531 -13.121 207 H GLN 30 H GLN 30 11.025 -1.341 -7.764 208 HA GLN 30 HA GLN 30 11.261 0.256 -5.602 209 HB2 GLN 30 1HB GLN 30 12.210 0.349 -8.427 210 HB3 GLN 30 2HB GLN 30 12.291 1.874 -7.567 211 HG2 GLN 30 1HG GLN 30 13.720 0.971 -5.861 212 HG3 GLN 30 2HG GLN 30 13.352 -0.683 -6.307 213 HE21 GLN 30 1HE2 GLN 30 15.636 1.626 -6.427 214 HE22 GLN 30 2HE2 GLN 30 16.547 1.153 -7.822 215 H GLU 31 H GLU 31 9.494 0.970 -8.685 216 HA GLU 31 HA GLU 31 8.777 3.539 -8.066 217 HB2 GLU 31 1HB GLU 31 8.482 2.118 -10.252 218 HB3 GLU 31 2HB GLU 31 6.931 1.664 -9.574 219 HG2 GLU 31 1HG GLU 31 6.099 3.883 -9.636 220 HG3 GLU 31 2HG GLU 31 7.701 4.592 -9.669 221 H VAL 32 H VAL 32 7.644 0.489 -6.753 222 HA VAL 32 HA VAL 32 5.262 1.749 -5.646 223 HB VAL 32 HB VAL 32 6.291 -1.085 -5.763 224 HG11 VAL 32 1HG1 VAL 32 4.646 0.023 -3.740 225 HG12 VAL 32 2HG1 VAL 32 3.579 -0.922 -4.807 226 HG13 VAL 32 3HG1 VAL 32 4.995 -1.694 -4.054 227 HG21 VAL 32 1HG2 VAL 32 3.598 -0.365 -6.764 228 HG22 VAL 32 2HG2 VAL 32 4.964 0.341 -7.660 229 HG23 VAL 32 3HG2 VAL 32 4.843 -1.425 -7.468 230 H ILE 33 H ILE 33 8.500 0.521 -4.787 231 HA ILE 33 HA ILE 33 8.082 0.555 -1.999 232 HB ILE 33 HB ILE 33 10.501 0.535 -3.782 233 HG12 ILE 33 1HG1 ILE 33 9.526 -1.547 -1.815 234 HG13 ILE 33 2HG1 ILE 33 8.973 -1.488 -3.477 235 HG21 ILE 33 1HG2 ILE 33 11.319 -0.121 -1.171 236 HG22 ILE 33 2HG2 ILE 33 11.794 1.290 -2.146 237 HG23 ILE 33 3HG2 ILE 33 10.408 1.402 -1.035 238 HD11 ILE 33 1HD1 ILE 33 11.926 -1.574 -2.721 239 HD12 ILE 33 2HD1 ILE 33 10.958 -3.029 -3.060 240 HD13 ILE 33 3HD1 ILE 33 11.216 -1.814 -4.335 241 H ARG 34 H ARG 34 9.126 2.984 -4.420 242 HA ARG 34 HA ARG 34 10.135 4.861 -2.760 243 HB2 ARG 34 1HB ARG 34 9.038 4.752 -5.457 244 HB3 ARG 34 2HB ARG 34 8.540 6.252 -4.699 245 HG2 ARG 34 1HG ARG 34 10.973 6.633 -4.027 246 HG3 ARG 34 2HG ARG 34 11.402 5.225 -4.978 247 HD2 ARG 34 1HD ARG 34 10.310 6.337 -6.996 248 HD3 ARG 34 2HD ARG 34 10.074 7.773 -6.020 249 HE ARG 34 HE ARG 34 12.843 6.814 -6.005 250 HH11 ARG 34 2HH2 ARG 34 10.496 8.818 -7.696 251 HH12 ARG 34 1HH2 ARG 34 11.698 9.813 -8.448 252 HH21 ARG 34 2HH1 ARG 34 14.428 8.127 -6.997 253 HH22 ARG 34 1HH1 ARG 34 13.949 9.418 -8.048 254 H ARG 35 H ARG 35 6.721 4.893 -4.048 255 HA ARG 35 HA ARG 35 5.803 6.845 -2.414 256 HB2 ARG 35 1HB ARG 35 4.398 4.419 -3.619 257 HB3 ARG 35 2HB ARG 35 3.510 5.660 -2.758 258 HG2 ARG 35 1HG ARG 35 3.394 6.745 -4.759 259 HG3 ARG 35 2HG ARG 35 5.068 7.184 -4.480 260 HD2 ARG 35 1HD ARG 35 5.859 5.237 -5.750 261 HD3 ARG 35 2HD ARG 35 4.232 4.601 -5.881 262 HE ARG 35 HE ARG 35 5.392 6.771 -7.470 263 HH11 ARG 35 2HH2 ARG 35 2.395 5.326 -6.325 264 HH12 ARG 35 1HH2 ARG 35 1.436 5.990 -7.606 265 HH21 ARG 35 2HH1 ARG 35 4.128 7.647 -9.160 266 HH22 ARG 35 1HH1 ARG 35 2.429 7.319 -9.229 267 H LEU 36 H LEU 36 5.404 3.250 -1.936 268 HA LEU 36 HA LEU 36 4.161 3.189 0.436 269 HB2 LEU 36 1HB LEU 36 6.430 1.464 -0.553 270 HB3 LEU 36 2HB LEU 36 5.489 1.093 0.877 271 HG LEU 36 HG LEU 36 4.272 1.434 -1.874 272 HD11 LEU 36 1HD1 LEU 36 5.313 -1.049 -0.502 273 HD12 LEU 36 2HD1 LEU 36 4.114 -1.097 -1.817 274 HD13 LEU 36 3HD1 LEU 36 5.729 -0.410 -2.111 275 HD21 LEU 36 1HD2 LEU 36 3.196 0.330 0.732 276 HD22 LEU 36 2HD2 LEU 36 2.651 1.779 -0.146 277 HD23 LEU 36 3HD2 LEU 36 2.383 0.163 -0.842 278 H ARG 37 H ARG 37 7.791 3.083 0.219 279 HA ARG 37 HA ARG 37 8.353 3.385 2.787 280 HB2 ARG 37 1HB ARG 37 9.673 4.277 0.252 281 HB3 ARG 37 2HB ARG 37 10.282 5.037 1.709 282 HG2 ARG 37 1HG ARG 37 10.245 2.491 2.610 283 HG3 ARG 37 2HG ARG 37 10.367 2.136 0.898 284 HD2 ARG 37 1HD ARG 37 12.415 3.484 0.702 285 HD3 ARG 37 2HD ARG 37 12.250 4.056 2.350 286 HE ARG 37 HE ARG 37 12.313 1.155 2.256 287 HH11 ARG 37 2HH2 ARG 37 14.361 4.013 2.121 288 HH12 ARG 37 1HH2 ARG 37 15.770 3.188 2.699 289 HH21 ARG 37 2HH1 ARG 37 14.171 0.066 3.019 290 HH22 ARG 37 1HH1 ARG 37 15.661 0.927 3.214 291 H GLU 38 H GLU 38 7.762 6.116 0.456 292 HA GLU 38 HA GLU 38 8.093 8.138 2.294 293 HB2 GLU 38 1HB GLU 38 7.089 7.829 -0.433 294 HB3 GLU 38 2HB GLU 38 6.148 9.026 0.435 295 HG2 GLU 38 1HG GLU 38 9.164 9.111 0.652 296 HG3 GLU 38 2HG GLU 38 8.407 9.709 -0.812 297 H ARG 39 H ARG 39 5.305 6.034 1.563 298 HA ARG 39 HA ARG 39 3.553 7.645 3.128 299 HB2 ARG 39 1HB ARG 39 3.100 4.806 2.084 300 HB3 ARG 39 2HB ARG 39 1.863 5.940 2.589 301 HG2 ARG 39 1HG ARG 39 3.367 7.345 0.641 302 HG3 ARG 39 2HG ARG 39 3.225 5.720 0.002 303 HD2 ARG 39 1HD ARG 39 1.013 6.001 -0.468 304 HD3 ARG 39 2HD ARG 39 0.672 6.594 1.145 305 HE ARG 39 HE ARG 39 1.256 8.219 -1.233 306 HH11 ARG 39 2HH2 ARG 39 1.102 8.161 2.282 307 HH12 ARG 39 1HH2 ARG 39 0.927 9.878 2.430 308 HH21 ARG 39 2HH1 ARG 39 1.025 10.485 -1.039 309 HH22 ARG 39 1HH1 ARG 39 0.883 11.209 0.528 310 H GLY 40 H GLY 40 6.042 5.486 3.826 311 HA2 GLY 40 1HA GLY 40 6.705 4.673 5.841 312 HA3 GLY 40 2HA GLY 40 5.189 5.180 6.558 313 H GLU 41 H GLU 41 4.630 3.439 3.647 314 HA GLU 41 HA GLU 41 3.557 1.281 5.145 315 HB2 GLU 41 1HB GLU 41 3.794 1.635 2.124 316 HB3 GLU 41 2HB GLU 41 2.783 0.458 2.938 317 HG2 GLU 41 1HG GLU 41 2.389 3.273 3.845 318 HG3 GLU 41 2HG GLU 41 1.946 2.976 2.176 319 HA PRO 42 HA PRO 42 6.843 -1.516 4.696 320 HB2 PRO 42 1HB PRO 42 5.577 -3.937 4.641 321 HB3 PRO 42 2HB PRO 42 5.866 -3.040 6.118 322 HG2 PRO 42 1HG PRO 42 3.339 -3.384 4.624 323 HG3 PRO 42 2HG PRO 42 3.572 -2.871 6.283 324 HD2 PRO 42 1HD PRO 42 2.934 -1.198 4.042 325 HD3 PRO 42 2HD PRO 42 3.281 -0.672 5.677 326 H ILE 43 H ILE 43 8.217 -1.643 3.049 327 HA ILE 43 HA ILE 43 7.318 -1.681 0.437 328 HB ILE 43 HB ILE 43 9.702 -2.442 -0.035 329 HG12 ILE 43 1HG1 ILE 43 10.780 -1.738 2.510 330 HG13 ILE 43 2HG1 ILE 43 9.598 -3.005 2.774 331 HG21 ILE 43 1HG2 ILE 43 10.630 -0.234 0.726 332 HG22 ILE 43 2HG2 ILE 43 9.118 -0.141 -0.209 333 HG23 ILE 43 3HG2 ILE 43 9.084 0.053 1.560 334 HD11 ILE 43 1HD1 ILE 43 10.677 -4.397 1.010 335 HD12 ILE 43 2HD1 ILE 43 11.879 -3.111 0.746 336 HD13 ILE 43 3HD1 ILE 43 11.825 -3.972 2.302 337 H ARG 44 H ARG 44 8.212 -4.371 2.655 338 HA ARG 44 HA ARG 44 6.884 -6.117 0.758 339 HB2 ARG 44 1HB ARG 44 9.327 -6.448 0.469 340 HB3 ARG 44 2HB ARG 44 9.525 -6.695 2.192 341 HG2 ARG 44 1HG ARG 44 9.478 -8.874 1.068 342 HG3 ARG 44 2HG ARG 44 8.052 -8.716 2.073 343 HD2 ARG 44 1HD ARG 44 6.606 -8.595 0.260 344 HD3 ARG 44 2HD ARG 44 7.761 -7.745 -0.748 345 HE ARG 44 HE ARG 44 7.385 -10.609 -0.624 346 HH11 ARG 44 2HH2 ARG 44 9.862 -8.151 -1.074 347 HH12 ARG 44 1HH2 ARG 44 10.901 -9.184 -1.997 348 HH21 ARG 44 2HH1 ARG 44 8.756 -11.973 -1.841 349 HH22 ARG 44 1HH1 ARG 44 10.267 -11.373 -2.437 350 H LEU 45 H LEU 45 5.130 -6.965 1.836 351 HA LEU 45 HA LEU 45 5.035 -6.915 4.684 352 HB2 LEU 45 1HB LEU 45 3.212 -7.600 2.441 353 HB3 LEU 45 2HB LEU 45 2.866 -8.327 3.998 354 HG LEU 45 HG LEU 45 3.358 -5.381 3.929 355 HD11 LEU 45 1HD1 LEU 45 1.797 -4.966 2.403 356 HD12 LEU 45 2HD1 LEU 45 1.326 -6.680 2.316 357 HD13 LEU 45 3HD1 LEU 45 0.604 -5.620 3.550 358 HD21 LEU 45 1HD2 LEU 45 2.130 -7.366 5.693 359 HD22 LEU 45 2HD2 LEU 45 2.804 -5.759 6.058 360 HD23 LEU 45 3HD2 LEU 45 1.132 -5.910 5.467 361 H PHE 46 H PHE 46 3.790 -9.268 5.439 362 HA PHE 46 HA PHE 46 6.045 -11.089 5.263 363 HB2 PHE 46 1HB PHE 46 4.573 -10.191 7.354 364 HB3 PHE 46 2HB PHE 46 3.484 -11.475 6.870 365 HD1 PHE 46 1HD PHE 46 4.859 -13.789 6.366 366 HD2 PHE 46 2HD PHE 46 6.015 -10.720 9.059 367 HE1 PHE 46 1HE PHE 46 6.233 -15.443 7.662 368 HE2 PHE 46 2HE PHE 46 7.389 -12.374 10.355 369 HZ PHE 46 HZ PHE 46 7.481 -14.716 9.640 370 H GLY 47 H GLY 47 5.519 -11.652 2.956 371 HA2 GLY 47 1HA GLY 47 4.914 -13.796 2.018 372 HA3 GLY 47 2HA GLY 47 3.395 -13.710 2.887 373 H GLU 48 H GLU 48 5.210 -11.259 0.906 374 HA GLU 48 HA GLU 48 2.799 -11.081 -0.730 375 HB2 GLU 48 1HB GLU 48 4.352 -9.003 0.674 376 HB3 GLU 48 2HB GLU 48 4.119 -8.632 -1.023 377 HG2 GLU 48 1HG GLU 48 1.596 -9.429 -0.461 378 HG3 GLU 48 2HG GLU 48 2.064 -8.941 1.156 379 H THR 49 H THR 49 3.479 -9.796 -2.932 380 HA THR 49 HA THR 49 6.029 -10.931 -3.853 381 HB THR 49 HB THR 49 4.634 -11.369 -6.041 382 HG1 THR 49 1HG THR 49 2.408 -11.265 -5.662 383 HG21 THR 49 1HG2 THR 49 5.374 -13.293 -4.686 384 HG22 THR 49 2HG2 THR 49 4.112 -12.960 -3.475 385 HG23 THR 49 3HG2 THR 49 3.658 -13.516 -5.104 386 H ASP 50 H ASP 50 5.962 -10.007 -6.471 387 HA ASP 50 HA ASP 50 6.603 -7.305 -5.974 388 HB2 ASP 50 1HB ASP 50 6.494 -9.040 -8.475 389 HB3 ASP 50 2HB ASP 50 6.909 -7.340 -8.565 390 H TYR 51 H TYR 51 3.804 -9.131 -7.079 391 HA TYR 51 HA TYR 51 2.585 -6.818 -8.351 392 HB2 TYR 51 1HB TYR 51 2.591 -9.524 -8.835 393 HB3 TYR 51 2HB TYR 51 1.229 -9.469 -7.734 394 HD1 TYR 51 1HD TYR 51 -0.318 -7.180 -8.393 395 HD2 TYR 51 2HD TYR 51 1.910 -9.698 -11.039 396 HE1 TYR 51 1HE TYR 51 -1.840 -6.516 -10.318 397 HE2 TYR 51 2HE TYR 51 0.381 -9.025 -12.955 398 HH TYR 51 HH TYR 51 -1.060 -7.007 -13.483 399 H ASP 52 H ASP 52 2.300 -8.881 -5.421 400 HA ASP 52 HA ASP 52 -0.132 -7.908 -4.574 401 HB2 ASP 52 1HB ASP 52 1.563 -9.807 -3.680 402 HB3 ASP 52 2HB ASP 52 2.034 -8.536 -2.570 403 H ALA 53 H ALA 53 3.283 -6.928 -3.775 404 HA ALA 53 HA ALA 53 2.611 -4.847 -2.039 405 HB1 ALA 53 1HB ALA 53 4.951 -4.141 -2.420 406 HB2 ALA 53 2HB ALA 53 4.835 -5.901 -2.178 407 HB3 ALA 53 3HB ALA 53 5.054 -5.240 -3.817 408 H PHE 54 H PHE 54 2.956 -5.040 -5.606 409 HA PHE 54 HA PHE 54 2.951 -2.304 -6.104 410 HB2 PHE 54 1HB PHE 54 3.514 -3.823 -7.885 411 HB3 PHE 54 2HB PHE 54 2.162 -4.880 -7.528 412 HD1 PHE 54 1HD PHE 54 2.310 -1.213 -8.224 413 HD2 PHE 54 2HD PHE 54 0.842 -5.012 -9.415 414 HE1 PHE 54 1HE PHE 54 0.976 -0.125 -10.052 415 HE2 PHE 54 2HE PHE 54 -0.491 -3.925 -11.242 416 HZ PHE 54 HZ PHE 54 -0.408 -1.494 -11.539 417 H GLN 55 H GLN 55 0.183 -4.644 -6.469 418 HA GLN 55 HA GLN 55 -1.731 -2.796 -6.945 419 HB2 GLN 55 1HB GLN 55 -1.991 -5.400 -5.378 420 HB3 GLN 55 2HB GLN 55 -3.342 -4.511 -6.053 421 HG2 GLN 55 1HG GLN 55 -1.083 -5.164 -7.926 422 HG3 GLN 55 2HG GLN 55 -2.079 -6.505 -7.396 423 HE21 GLN 55 1HE2 GLN 55 -1.839 -3.699 -9.341 424 HE22 GLN 55 2HE2 GLN 55 -3.400 -3.745 -10.090 425 H ARG 56 H ARG 56 -0.246 -3.732 -3.838 426 HA ARG 56 HA ARG 56 -2.129 -2.697 -2.150 427 HB2 ARG 56 1HB ARG 56 0.074 -4.035 -1.667 428 HB3 ARG 56 2HB ARG 56 0.866 -2.472 -1.633 429 HG2 ARG 56 1HG ARG 56 -0.283 -1.769 0.299 430 HG3 ARG 56 2HG ARG 56 -1.640 -2.841 0.014 431 HD2 ARG 56 1HD ARG 56 1.051 -4.110 0.511 432 HD3 ARG 56 2HD ARG 56 0.238 -3.379 1.880 433 HE ARG 56 HE ARG 56 -0.484 -5.858 0.618 434 HH11 ARG 56 2HH2 ARG 56 -1.949 -3.004 2.062 435 HH12 ARG 56 1HH2 ARG 56 -3.399 -3.828 2.530 436 HH21 ARG 56 2HH1 ARG 56 -2.396 -6.946 1.235 437 HH22 ARG 56 1HH1 ARG 56 -3.655 -6.085 2.057 438 H LEU 57 H LEU 57 0.962 -1.115 -3.273 439 HA LEU 57 HA LEU 57 0.358 1.385 -2.201 440 HB2 LEU 57 1HB LEU 57 2.595 0.778 -2.733 441 HB3 LEU 57 2HB LEU 57 2.195 0.485 -4.414 442 HG LEU 57 HG LEU 57 3.457 2.645 -3.779 443 HD11 LEU 57 1HD1 LEU 57 1.448 2.083 -5.789 444 HD12 LEU 57 2HD1 LEU 57 1.530 3.824 -5.425 445 HD13 LEU 57 3HD1 LEU 57 2.996 2.950 -5.930 446 HD21 LEU 57 1HD2 LEU 57 0.668 3.322 -2.841 447 HD22 LEU 57 2HD2 LEU 57 2.212 3.494 -1.972 448 HD23 LEU 57 3HD2 LEU 57 1.839 4.565 -3.344 449 H ARG 58 H ARG 58 -0.075 0.064 -5.551 450 HA ARG 58 HA ARG 58 -1.007 2.247 -6.766 451 HB2 ARG 58 1HB ARG 58 -1.062 -0.567 -7.224 452 HB3 ARG 58 2HB ARG 58 -2.713 -0.032 -7.463 453 HG2 ARG 58 1HG ARG 58 -0.437 1.525 -8.723 454 HG3 ARG 58 2HG ARG 58 -0.997 0.047 -9.480 455 HD2 ARG 58 1HD ARG 58 -2.899 2.308 -8.714 456 HD3 ARG 58 2HD ARG 58 -2.112 2.234 -10.278 457 HE ARG 58 HE ARG 58 -3.334 -0.302 -9.776 458 HH11 ARG 58 2HH2 ARG 58 -4.240 3.032 -10.443 459 HH12 ARG 58 1HH2 ARG 58 -5.743 2.608 -11.192 460 HH21 ARG 58 2HH1 ARG 58 -5.317 -0.862 -10.764 461 HH22 ARG 58 1HH1 ARG 58 -6.360 0.378 -11.375 462 H LYS 59 H LYS 59 -2.537 0.427 -4.177 463 HA LYS 59 HA LYS 59 -5.126 1.650 -4.691 464 HB2 LYS 59 1HB LYS 59 -5.308 -0.635 -4.156 465 HB3 LYS 59 2HB LYS 59 -4.141 -0.529 -2.854 466 HG2 LYS 59 1HG LYS 59 -6.419 -0.658 -1.926 467 HG3 LYS 59 2HG LYS 59 -5.707 0.896 -1.542 468 HD2 LYS 59 1HD LYS 59 -7.463 1.926 -2.534 469 HD3 LYS 59 2HD LYS 59 -6.979 1.239 -4.072 470 HE2 LYS 59 1HE LYS 59 -8.228 -0.919 -3.302 471 HE3 LYS 59 2HE LYS 59 -8.931 0.078 -2.044 472 HZ1 LYS 59 1HZ LYS 59 -9.278 1.565 -4.244 473 HZ2 LYS 59 2HZ LYS 59 -9.482 0.056 -4.835 474 HZ3 LYS 59 3HZ LYS 59 -10.409 0.580 -3.596 475 H ILE 60 H ILE 60 -2.314 1.788 -2.492 476 HA ILE 60 HA ILE 60 -3.506 3.387 -0.532 477 HB ILE 60 HB ILE 60 -0.654 2.959 -1.403 478 HG12 ILE 60 1HG1 ILE 60 -2.192 1.982 1.022 479 HG13 ILE 60 2HG1 ILE 60 -1.887 1.036 -0.422 480 HG21 ILE 60 1HG2 ILE 60 -1.441 4.318 1.170 481 HG22 ILE 60 2HG2 ILE 60 0.157 4.217 0.391 482 HG23 ILE 60 3HG2 ILE 60 -1.115 5.241 -0.318 483 HD11 ILE 60 1HD1 ILE 60 -0.251 0.877 1.672 484 HD12 ILE 60 2HD1 ILE 60 0.399 0.825 0.015 485 HD13 ILE 60 3HD1 ILE 60 0.464 2.338 0.950 486 H GLU 61 H GLU 61 -1.703 4.180 -3.561 487 HA GLU 61 HA GLU 61 -1.532 6.865 -3.219 488 HB2 GLU 61 1HB GLU 61 -1.982 5.230 -5.749 489 HB3 GLU 61 2HB GLU 61 -1.613 6.943 -5.782 490 HG2 GLU 61 1HG GLU 61 0.140 4.903 -4.341 491 HG3 GLU 61 2HG GLU 61 0.396 5.359 -6.013 492 H ILE 62 H ILE 62 -4.338 4.882 -4.232 493 HA ILE 62 HA ILE 62 -5.940 7.009 -5.106 494 HB ILE 62 HB ILE 62 -6.701 4.308 -3.990 495 HG12 ILE 62 1HG1 ILE 62 -6.372 5.123 -6.888 496 HG13 ILE 62 2HG1 ILE 62 -5.109 4.340 -5.960 497 HG21 ILE 62 1HG2 ILE 62 -8.512 5.387 -5.959 498 HG22 ILE 62 2HG2 ILE 62 -8.836 4.822 -4.303 499 HG23 ILE 62 3HG2 ILE 62 -8.344 6.508 -4.587 500 HD11 ILE 62 1HD1 ILE 62 -6.059 2.323 -6.333 501 HD12 ILE 62 2HD1 ILE 62 -7.557 2.868 -5.541 502 HD13 ILE 62 3HD1 ILE 62 -7.334 3.117 -7.289 503 H LEU 63 H LEU 63 -5.992 5.179 -1.962 504 HA LEU 63 HA LEU 63 -7.835 6.660 -0.654 505 HB2 LEU 63 1HB LEU 63 -5.291 5.403 0.369 506 HB3 LEU 63 2HB LEU 63 -6.524 6.072 1.420 507 HG LEU 63 HG LEU 63 -7.213 3.952 -0.609 508 HD11 LEU 63 1HD1 LEU 63 -5.731 3.628 1.962 509 HD12 LEU 63 2HD1 LEU 63 -6.980 2.429 1.548 510 HD13 LEU 63 3HD1 LEU 63 -5.614 2.709 0.442 511 HD21 LEU 63 1HD2 LEU 63 -8.446 4.730 2.049 512 HD22 LEU 63 2HD2 LEU 63 -9.064 5.158 0.435 513 HD23 LEU 63 3HD2 LEU 63 -9.029 3.455 0.953 514 H THR 64 H THR 64 -4.400 7.240 0.253 515 HA THR 64 HA THR 64 -4.665 9.707 1.269 516 HB THR 64 HB THR 64 -2.594 8.044 0.774 517 HG1 THR 64 1HG THR 64 -2.024 9.663 2.176 518 HG21 THR 64 1HG2 THR 64 -0.976 9.280 -0.714 519 HG22 THR 64 2HG2 THR 64 -2.345 8.607 -1.631 520 HG23 THR 64 3HG2 THR 64 -2.307 10.341 -1.235 521 HA PRO 65 HA PRO 65 -5.797 12.438 -1.843 522 HB2 PRO 65 1HB PRO 65 -5.030 14.816 -0.735 523 HB3 PRO 65 2HB PRO 65 -6.516 13.992 -0.304 524 HG2 PRO 65 1HG PRO 65 -3.997 14.196 1.231 525 HG3 PRO 65 2HG PRO 65 -5.597 13.761 1.799 526 HD2 PRO 65 1HD PRO 65 -3.408 11.976 1.302 527 HD3 PRO 65 2HD PRO 65 -5.041 11.531 1.759 528 H GLU 66 H GLU 66 -4.696 14.847 -2.669 529 HA GLU 66 HA GLU 66 -3.359 15.381 -4.335 530 HB2 GLU 66 1HB GLU 66 -2.024 15.429 -1.880 531 HB3 GLU 66 2HB GLU 66 -0.873 14.631 -2.932 532 HG2 GLU 66 1HG GLU 66 -1.423 16.576 -4.626 533 HG3 GLU 66 2HG GLU 66 -2.087 17.398 -3.228 534 H VAL 67 H VAL 67 -3.971 13.666 -5.836 535 HA VAL 67 HA VAL 67 -1.761 12.235 -6.801 536 HB VAL 67 HB VAL 67 -2.286 10.872 -4.782 537 HG11 VAL 67 1HG1 VAL 67 -4.396 10.364 -4.273 538 HG12 VAL 67 2HG1 VAL 67 -4.962 11.108 -5.788 539 HG13 VAL 67 3HG1 VAL 67 -4.509 9.387 -5.757 540 HG21 VAL 67 1HG2 VAL 67 -1.119 9.553 -6.218 541 HG22 VAL 67 2HG2 VAL 67 -2.670 8.685 -6.313 542 HG23 VAL 67 3HG2 VAL 67 -2.228 9.858 -7.577 543 H ASN 68 H ASN 68 -3.039 13.975 -8.216 544 HA ASN 68 HA ASN 68 -5.380 12.830 -9.404 545 HB2 ASN 68 1HB ASN 68 -4.900 15.369 -8.958 546 HB3 ASN 68 2HB ASN 68 -3.860 15.297 -10.367 547 HD21 ASN 68 1HD2 ASN 68 -4.736 15.811 -12.212 548 HD22 ASN 68 2HD2 ASN 68 -6.408 15.700 -12.653 549 H LYS 69 H LYS 69 -4.930 11.128 -10.838 550 HA LYS 69 HA LYS 69 -3.118 11.721 -13.026 551 HB2 LYS 69 1HB LYS 69 -1.619 10.654 -11.477 552 HB3 LYS 69 2HB LYS 69 -2.762 9.365 -11.158 553 HG2 LYS 69 1HG LYS 69 -2.612 8.632 -13.542 554 HG3 LYS 69 2HG LYS 69 -1.486 9.932 -13.877 555 HD2 LYS 69 1HD LYS 69 -0.807 8.089 -11.597 556 HD3 LYS 69 2HD LYS 69 -0.668 7.436 -13.218 557 HE2 LYS 69 1HE LYS 69 1.034 8.943 -13.835 558 HE3 LYS 69 2HE LYS 69 0.537 10.152 -12.668 559 HZ1 LYS 69 1HZ LYS 69 1.227 8.412 -10.968 560 HZ2 LYS 69 2HZ LYS 69 2.034 7.692 -12.191 561 HZ3 LYS 69 3HZ LYS 69 2.409 9.220 -11.753 562 H GLY 70 H GLY 70 -3.949 11.026 -14.949 563 HA2 GLY 70 1HA GLY 70 -6.541 10.299 -15.278 564 HA3 GLY 70 2HA GLY 70 -5.259 9.908 -16.407 565 H SER 71 H SER 71 -7.753 8.391 -15.430 566 HA SER 71 HA SER 71 -7.106 6.334 -13.788 567 HB2 SER 71 1HB SER 71 -9.078 6.798 -15.967 568 HB3 SER 71 2HB SER 71 -8.769 5.108 -15.620 569 HG SER 71 HG SER 71 -9.719 7.150 -13.812 570 H GLY 72 H GLY 72 -6.950 6.334 -17.431 571 HA2 GLY 72 1HA GLY 72 -4.630 5.467 -18.120 572 HA3 GLY 72 2HA GLY 72 -5.141 4.015 -17.284 573 HA PRO 73 HA PRO 73 -6.879 4.229 -21.614 574 HB2 PRO 73 1HB PRO 73 -4.952 3.013 -23.123 575 HB3 PRO 73 2HB PRO 73 -5.135 4.753 -23.024 576 HG2 PRO 73 1HG PRO 73 -3.095 3.029 -21.757 577 HG3 PRO 73 2HG PRO 73 -3.057 4.761 -22.024 578 HD2 PRO 73 1HD PRO 73 -3.582 3.417 -19.544 579 HD3 PRO 73 2HD PRO 73 -3.658 5.143 -19.838 580 H SER 74 H SER 74 -7.598 2.410 -23.062 581 HA SER 74 HA SER 74 -8.033 0.211 -21.271 582 HB2 SER 74 1HB SER 74 -9.568 1.470 -23.233 583 HB3 SER 74 2HB SER 74 -9.102 -0.027 -24.017 584 HG SER 74 HG SER 74 -9.812 -1.030 -21.831 585 H SER 75 H SER 75 -7.443 -1.999 -21.731 586 HA SER 75 HA SER 75 -6.164 -3.600 -22.444 587 HB2 SER 75 1HB SER 75 -7.354 -3.031 -24.645 588 HB3 SER 75 2HB SER 75 -5.916 -2.143 -25.107 589 HG SER 75 HG SER 75 -6.308 -4.683 -25.544 590 H GLY 76 H GLY 76 -4.440 -3.059 -20.968 591 HA2 GLY 76 1HA GLY 76 -2.547 -1.168 -21.069 592 HA3 GLY 76 2HA GLY 76 -2.219 -2.817 -20.578 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -3.277 49.364 -38.507 2 HA2 GLY 1 1HA GLY 1 -1.481 47.337 -39.497 3 HA3 GLY 1 2HA GLY 1 -1.339 47.619 -37.774 4 H SER 2 H SER 2 -2.117 45.189 -38.035 5 HA SER 2 HA SER 2 -4.644 45.067 -36.970 6 HB2 SER 2 1HB SER 2 -5.862 43.871 -38.833 7 HB3 SER 2 2HB SER 2 -5.588 45.576 -39.132 8 HG SER 2 HG SER 2 -4.847 44.776 -41.008 9 H SER 3 H SER 3 -5.416 42.634 -36.884 10 HA SER 3 HA SER 3 -3.677 40.630 -37.648 11 HB2 SER 3 1HB SER 3 -2.503 40.051 -35.637 12 HB3 SER 3 2HB SER 3 -2.211 41.759 -35.901 13 HG SER 3 HG SER 3 -4.397 41.759 -34.437 14 H GLY 4 H GLY 4 -4.254 38.489 -36.375 15 HA2 GLY 4 1HA GLY 4 -6.722 38.535 -34.892 16 HA3 GLY 4 2HA GLY 4 -6.911 37.954 -36.534 17 H SER 5 H SER 5 -7.551 36.027 -34.915 18 HA SER 5 HA SER 5 -5.696 34.049 -35.361 19 HB2 SER 5 1HB SER 5 -5.342 35.498 -32.802 20 HB3 SER 5 2HB SER 5 -5.510 33.765 -32.599 21 HG SER 5 HG SER 5 -3.306 35.058 -33.288 22 H SER 6 H SER 6 -6.420 31.922 -34.286 23 HA SER 6 HA SER 6 -8.897 31.970 -32.925 24 HB2 SER 6 1HB SER 6 -9.196 32.190 -35.645 25 HB3 SER 6 2HB SER 6 -9.178 30.446 -35.476 26 HG SER 6 HG SER 6 -10.922 30.606 -33.940 27 H GLY 7 H GLY 7 -9.686 29.592 -32.582 28 HA2 GLY 7 1HA GLY 7 -8.206 27.360 -33.216 29 HA3 GLY 7 2HA GLY 7 -7.434 28.029 -31.793 30 H THR 8 H THR 8 -9.596 25.735 -32.693 31 HA THR 8 HA THR 8 -11.052 25.970 -30.153 32 HB THR 8 HB THR 8 -13.085 25.141 -31.400 33 HG1 THR 8 1HG THR 8 -12.310 24.241 -33.300 34 HG21 THR 8 1HG2 THR 8 -13.725 27.234 -32.212 35 HG22 THR 8 2HG2 THR 8 -12.289 27.737 -31.289 36 HG23 THR 8 3HG2 THR 8 -12.175 27.492 -33.048 37 H SER 9 H SER 9 -11.570 24.006 -29.115 38 HA SER 9 HA SER 9 -11.191 21.534 -30.215 39 HB2 SER 9 1HB SER 9 -9.011 20.853 -29.135 40 HB3 SER 9 2HB SER 9 -8.830 21.973 -30.470 41 HG SER 9 HG SER 9 -7.543 22.513 -28.538 42 H SER 10 H SER 10 -12.802 20.687 -28.927 43 HA SER 10 HA SER 10 -12.245 20.290 -26.201 44 HB2 SER 10 1HB SER 10 -13.364 22.752 -26.620 45 HB3 SER 10 2HB SER 10 -14.819 21.788 -26.464 46 HG SER 10 HG SER 10 -12.802 21.299 -24.533 47 H ASN 11 H ASN 11 -13.334 18.430 -25.530 48 HA ASN 11 HA ASN 11 -15.337 17.471 -27.413 49 HB2 ASN 11 1HB ASN 11 -13.600 15.908 -25.430 50 HB3 ASN 11 2HB ASN 11 -14.749 15.186 -26.539 51 HD21 ASN 11 1HD2 ASN 11 -11.593 16.253 -26.062 52 HD22 ASN 11 2HD2 ASN 11 -10.984 16.136 -27.679 53 HA PRO 12 HA PRO 12 -17.939 18.017 -23.857 54 HB2 PRO 12 1HB PRO 12 -20.333 17.593 -25.105 55 HB3 PRO 12 2HB PRO 12 -19.539 19.155 -25.058 56 HG2 PRO 12 1HG PRO 12 -19.749 17.248 -27.308 57 HG3 PRO 12 2HG PRO 12 -19.349 18.954 -27.348 58 HD2 PRO 12 1HD PRO 12 -17.523 16.757 -27.605 59 HD3 PRO 12 2HD PRO 12 -17.111 18.458 -27.529 60 H VAL 13 H VAL 13 -16.549 15.862 -23.525 61 HA VAL 13 HA VAL 13 -18.394 14.108 -22.357 62 HB VAL 13 HB VAL 13 -18.783 13.570 -24.761 63 HG11 VAL 13 1HG1 VAL 13 -16.312 11.990 -25.007 64 HG12 VAL 13 2HG1 VAL 13 -17.153 13.003 -26.204 65 HG13 VAL 13 3HG1 VAL 13 -16.052 13.750 -25.022 66 HG21 VAL 13 1HG2 VAL 13 -17.544 11.247 -23.259 67 HG22 VAL 13 2HG2 VAL 13 -19.120 11.959 -22.836 68 HG23 VAL 13 3HG2 VAL 13 -18.882 11.209 -24.433 69 H LEU 14 H LEU 14 -17.284 13.490 -20.583 70 HA LEU 14 HA LEU 14 -14.593 12.505 -20.908 71 HB2 LEU 14 1HB LEU 14 -14.638 15.103 -20.554 72 HB3 LEU 14 2HB LEU 14 -14.961 14.679 -18.884 73 HG LEU 14 HG LEU 14 -12.567 15.117 -19.375 74 HD11 LEU 14 1HD1 LEU 14 -13.250 12.319 -18.434 75 HD12 LEU 14 2HD1 LEU 14 -11.680 13.124 -18.200 76 HD13 LEU 14 3HD1 LEU 14 -13.146 13.793 -17.442 77 HD21 LEU 14 1HD2 LEU 14 -12.348 12.475 -20.767 78 HD22 LEU 14 2HD2 LEU 14 -12.828 13.914 -21.699 79 HD23 LEU 14 3HD2 LEU 14 -11.277 13.896 -20.827 80 H GLU 15 H GLU 15 -15.260 10.486 -20.200 81 HA GLU 15 HA GLU 15 -15.401 10.116 -17.475 82 HB2 GLU 15 1HB GLU 15 -17.739 11.135 -17.937 83 HB3 GLU 15 2HB GLU 15 -18.119 9.629 -18.748 84 HG2 GLU 15 1HG GLU 15 -17.987 8.361 -16.764 85 HG3 GLU 15 2HG GLU 15 -16.924 9.508 -15.974 86 H LEU 16 H LEU 16 -13.941 8.435 -17.846 87 HA LEU 16 HA LEU 16 -14.756 6.367 -19.735 88 HB2 LEU 16 1HB LEU 16 -12.179 7.254 -18.521 89 HB3 LEU 16 2HB LEU 16 -12.338 5.576 -19.002 90 HG LEU 16 HG LEU 16 -13.056 7.736 -20.960 91 HD11 LEU 16 1HD1 LEU 16 -10.759 7.885 -21.737 92 HD12 LEU 16 2HD1 LEU 16 -10.873 8.399 -20.037 93 HD13 LEU 16 3HD1 LEU 16 -10.224 6.791 -20.439 94 HD21 LEU 16 1HD2 LEU 16 -13.560 5.389 -21.490 95 HD22 LEU 16 2HD2 LEU 16 -12.355 6.084 -22.601 96 HD23 LEU 16 3HD2 LEU 16 -11.837 4.982 -21.302 97 H GLU 17 H GLU 17 -15.745 7.057 -16.799 98 HA GLU 17 HA GLU 17 -16.507 5.934 -15.105 99 HB2 GLU 17 1HB GLU 17 -16.138 3.639 -17.050 100 HB3 GLU 17 2HB GLU 17 -16.702 3.330 -15.420 101 HG2 GLU 17 1HG GLU 17 -18.143 5.590 -16.617 102 HG3 GLU 17 2HG GLU 17 -18.267 4.163 -17.626 103 H LEU 18 H LEU 18 -15.818 4.843 -13.144 104 HA LEU 18 HA LEU 18 -13.153 5.071 -12.568 105 HB2 LEU 18 1HB LEU 18 -15.517 3.804 -11.327 106 HB3 LEU 18 2HB LEU 18 -13.964 3.220 -10.765 107 HG LEU 18 HG LEU 18 -14.899 5.034 -9.370 108 HD11 LEU 18 1HD1 LEU 18 -12.683 5.024 -8.949 109 HD12 LEU 18 2HD1 LEU 18 -12.239 5.140 -10.669 110 HD13 LEU 18 3HD1 LEU 18 -12.737 6.598 -9.778 111 HD21 LEU 18 1HD2 LEU 18 -14.304 7.005 -11.559 112 HD22 LEU 18 2HD2 LEU 18 -15.893 6.211 -11.462 113 HD23 LEU 18 3HD2 LEU 18 -15.305 7.193 -10.099 114 H ALA 19 H ALA 19 -11.591 3.292 -11.915 115 HA ALA 19 HA ALA 19 -11.873 0.712 -12.972 116 HB1 ALA 19 1HB ALA 19 -10.669 2.816 -14.747 117 HB2 ALA 19 2HB ALA 19 -9.936 1.194 -14.736 118 HB3 ALA 19 3HB ALA 19 -11.650 1.393 -15.172 119 H GLU 20 H GLU 20 -10.858 -0.220 -11.256 120 HA GLU 20 HA GLU 20 -8.182 0.788 -10.695 121 HB2 GLU 20 1HB GLU 20 -8.538 0.401 -8.293 122 HB3 GLU 20 2HB GLU 20 -9.729 1.531 -8.905 123 HG2 GLU 20 1HG GLU 20 -11.201 -0.652 -9.277 124 HG3 GLU 20 2HG GLU 20 -10.105 -1.367 -8.112 125 H GLU 21 H GLU 21 -7.010 -1.006 -9.182 126 HA GLU 21 HA GLU 21 -5.949 -2.918 -9.449 127 HB2 GLU 21 1HB GLU 21 -8.790 -3.586 -8.725 128 HB3 GLU 21 2HB GLU 21 -7.717 -4.923 -9.089 129 HG2 GLU 21 1HG GLU 21 -6.084 -4.085 -7.394 130 HG3 GLU 21 2HG GLU 21 -7.138 -2.730 -7.040 131 H LYS 22 H LYS 22 -6.592 -1.780 -12.010 132 HA LYS 22 HA LYS 22 -6.942 -4.257 -13.548 133 HB2 LYS 22 1HB LYS 22 -8.720 -2.110 -13.523 134 HB3 LYS 22 2HB LYS 22 -7.760 -1.835 -14.963 135 HG2 LYS 22 1HG LYS 22 -8.414 -3.861 -15.964 136 HG3 LYS 22 2HG LYS 22 -8.754 -4.636 -14.429 137 HD2 LYS 22 1HD LYS 22 -10.900 -4.208 -15.397 138 HD3 LYS 22 2HD LYS 22 -10.710 -2.987 -14.155 139 HE2 LYS 22 1HE LYS 22 -9.566 -1.731 -16.357 140 HE3 LYS 22 2HE LYS 22 -10.842 -2.671 -17.106 141 HZ1 LYS 22 1HZ LYS 22 -11.466 -1.156 -14.707 142 HZ2 LYS 22 2HZ LYS 22 -11.327 -0.353 -16.123 143 HZ3 LYS 22 3HZ LYS 22 -12.432 -1.545 -15.965 144 H LEU 23 H LEU 23 -6.092 -3.729 -15.958 145 HA LEU 23 HA LEU 23 -4.321 -3.360 -17.221 146 HB2 LEU 23 1HB LEU 23 -4.743 -0.916 -15.791 147 HB3 LEU 23 2HB LEU 23 -3.020 -1.153 -16.005 148 HG LEU 23 HG LEU 23 -3.763 -1.682 -18.511 149 HD11 LEU 23 1HD1 LEU 23 -5.601 -0.211 -19.220 150 HD12 LEU 23 2HD1 LEU 23 -6.155 -1.491 -18.114 151 HD13 LEU 23 3HD1 LEU 23 -5.945 0.172 -17.516 152 HD21 LEU 23 1HD2 LEU 23 -3.204 0.601 -19.091 153 HD22 LEU 23 2HD2 LEU 23 -3.534 1.139 -17.426 154 HD23 LEU 23 3HD2 LEU 23 -2.168 0.045 -17.754 155 HA PRO 24 HA PRO 24 -0.917 -5.207 -15.319 156 HB2 PRO 24 1HB PRO 24 1.188 -4.522 -16.922 157 HB3 PRO 24 2HB PRO 24 0.039 -5.781 -17.333 158 HG2 PRO 24 1HG PRO 24 0.266 -3.047 -18.435 159 HG3 PRO 24 2HG PRO 24 -0.568 -4.435 -19.105 160 HD2 PRO 24 1HD PRO 24 -1.763 -2.194 -17.772 161 HD3 PRO 24 2HD PRO 24 -2.582 -3.635 -18.339 162 H MET 25 H MET 25 1.604 -4.821 -14.703 163 HA MET 25 HA MET 25 1.420 -3.037 -12.618 164 HB2 MET 25 1HB MET 25 3.505 -4.678 -13.975 165 HB3 MET 25 2HB MET 25 4.165 -3.266 -13.175 166 HG2 MET 25 1HG MET 25 2.466 -4.155 -11.213 167 HG3 MET 25 2HG MET 25 2.849 -5.680 -11.986 168 HE1 MET 25 1HE MET 25 3.375 -6.053 -9.692 169 HE2 MET 25 2HE MET 25 5.042 -6.674 -9.755 170 HE3 MET 25 3HE MET 25 4.651 -5.278 -8.723 171 H THR 26 H THR 26 1.004 -0.870 -12.908 172 HA THR 26 HA THR 26 2.166 0.533 -15.144 173 HB THR 26 HB THR 26 0.894 2.455 -13.858 174 HG1 THR 26 1HG THR 26 0.663 1.397 -11.835 175 HG21 THR 26 1HG2 THR 26 -0.013 0.890 -15.815 176 HG22 THR 26 2HG2 THR 26 -0.924 0.111 -14.499 177 HG23 THR 26 3HG2 THR 26 -1.166 1.839 -14.847 178 H LEU 27 H LEU 27 2.497 0.582 -11.542 179 HA LEU 27 HA LEU 27 4.791 2.342 -11.869 180 HB2 LEU 27 1HB LEU 27 3.638 1.343 -9.278 181 HB3 LEU 27 2HB LEU 27 4.630 2.760 -9.562 182 HG LEU 27 HG LEU 27 1.954 2.624 -10.896 183 HD11 LEU 27 1HD1 LEU 27 0.694 3.133 -9.031 184 HD12 LEU 27 2HD1 LEU 27 1.824 1.918 -8.386 185 HD13 LEU 27 3HD1 LEU 27 2.107 3.648 -8.078 186 HD21 LEU 27 1HD2 LEU 27 3.700 4.819 -9.764 187 HD22 LEU 27 2HD2 LEU 27 3.280 4.506 -11.466 188 HD23 LEU 27 3HD2 LEU 27 2.034 5.085 -10.334 189 H SER 28 H SER 28 6.871 1.645 -11.792 190 HA SER 28 HA SER 28 7.356 -1.097 -11.837 191 HB2 SER 28 1HB SER 28 9.231 1.282 -11.495 192 HB3 SER 28 2HB SER 28 9.794 -0.361 -11.727 193 HG SER 28 HG SER 28 9.508 1.142 -13.688 194 H ARG 29 H ARG 29 8.906 -2.270 -10.313 195 HA ARG 29 HA ARG 29 7.951 -2.540 -7.882 196 HB2 ARG 29 1HB ARG 29 9.807 -3.898 -8.946 197 HB3 ARG 29 2HB ARG 29 10.943 -2.633 -8.524 198 HG2 ARG 29 1HG ARG 29 11.130 -3.414 -6.401 199 HG3 ARG 29 2HG ARG 29 9.395 -3.348 -6.167 200 HD2 ARG 29 1HD ARG 29 9.103 -5.590 -6.647 201 HD3 ARG 29 2HD ARG 29 10.326 -5.592 -7.902 202 HE ARG 29 HE ARG 29 11.900 -6.275 -6.317 203 HH11 ARG 29 2HH2 ARG 29 9.162 -4.830 -4.645 204 HH12 ARG 29 1HH2 ARG 29 9.749 -5.234 -3.066 205 HH21 ARG 29 2HH1 ARG 29 12.676 -6.807 -4.235 206 HH22 ARG 29 1HH1 ARG 29 11.762 -6.366 -2.831 207 H GLN 30 H GLN 30 10.920 -0.523 -8.548 208 HA GLN 30 HA GLN 30 11.115 0.534 -6.037 209 HB2 GLN 30 1HB GLN 30 12.362 2.436 -7.246 210 HB3 GLN 30 2HB GLN 30 12.964 0.810 -7.502 211 HG2 GLN 30 1HG GLN 30 10.978 1.174 -9.498 212 HG3 GLN 30 2HG GLN 30 11.847 2.694 -9.447 213 HE21 GLN 30 1HE2 GLN 30 14.070 2.759 -9.839 214 HE22 GLN 30 2HE2 GLN 30 14.905 1.498 -10.683 215 H GLU 31 H GLU 31 9.190 1.632 -8.873 216 HA GLU 31 HA GLU 31 8.447 4.079 -7.848 217 HB2 GLU 31 1HB GLU 31 8.120 3.054 -10.221 218 HB3 GLU 31 2HB GLU 31 6.642 2.360 -9.585 219 HG2 GLU 31 1HG GLU 31 6.053 4.474 -10.608 220 HG3 GLU 31 2HG GLU 31 5.916 4.685 -8.874 221 H VAL 32 H VAL 32 7.493 0.825 -6.969 222 HA VAL 32 HA VAL 32 5.095 1.783 -5.623 223 HB VAL 32 HB VAL 32 6.250 -0.885 -6.348 224 HG11 VAL 32 1HG1 VAL 32 5.634 -1.037 -3.954 225 HG12 VAL 32 2HG1 VAL 32 3.992 -0.481 -4.358 226 HG13 VAL 32 3HG1 VAL 32 4.587 -2.035 -4.991 227 HG21 VAL 32 1HG2 VAL 32 4.168 -1.220 -7.464 228 HG22 VAL 32 2HG2 VAL 32 3.430 0.182 -6.653 229 HG23 VAL 32 3HG2 VAL 32 4.708 0.428 -7.867 230 H ILE 33 H ILE 33 8.428 0.663 -5.035 231 HA ILE 33 HA ILE 33 8.091 0.319 -2.246 232 HB ILE 33 HB ILE 33 10.450 0.575 -4.089 233 HG12 ILE 33 1HG1 ILE 33 9.486 -1.732 -2.375 234 HG13 ILE 33 2HG1 ILE 33 9.057 -1.512 -4.060 235 HG21 ILE 33 1HG2 ILE 33 11.378 -0.354 -1.605 236 HG22 ILE 33 2HG2 ILE 33 11.771 1.182 -2.413 237 HG23 ILE 33 3HG2 ILE 33 10.423 1.107 -1.253 238 HD11 ILE 33 1HD1 ILE 33 11.968 -1.282 -3.563 239 HD12 ILE 33 2HD1 ILE 33 11.291 -2.877 -3.156 240 HD13 ILE 33 3HD1 ILE 33 11.096 -2.221 -4.799 241 H ARG 34 H ARG 34 9.047 3.038 -4.388 242 HA ARG 34 HA ARG 34 10.032 4.731 -2.529 243 HB2 ARG 34 1HB ARG 34 8.783 4.950 -5.193 244 HB3 ARG 34 2HB ARG 34 8.491 6.382 -4.227 245 HG2 ARG 34 1HG ARG 34 10.909 6.650 -3.808 246 HG3 ARG 34 2HG ARG 34 11.253 5.143 -4.634 247 HD2 ARG 34 1HD ARG 34 10.566 6.043 -6.776 248 HD3 ARG 34 2HD ARG 34 9.828 7.448 -6.032 249 HE ARG 34 HE ARG 34 11.960 8.435 -5.773 250 HH11 ARG 34 2HH2 ARG 34 12.279 5.085 -6.802 251 HH12 ARG 34 1HH2 ARG 34 13.968 5.222 -7.160 252 HH21 ARG 34 2HH1 ARG 34 14.189 8.616 -6.245 253 HH22 ARG 34 1HH1 ARG 34 15.062 7.244 -6.841 254 H ARG 35 H ARG 35 6.647 5.052 -3.837 255 HA ARG 35 HA ARG 35 5.682 6.720 -2.010 256 HB2 ARG 35 1HB ARG 35 4.363 4.371 -3.428 257 HB3 ARG 35 2HB ARG 35 3.423 5.416 -2.381 258 HG2 ARG 35 1HG ARG 35 3.382 7.100 -3.918 259 HG3 ARG 35 2HG ARG 35 5.104 6.979 -4.220 260 HD2 ARG 35 1HD ARG 35 4.813 5.241 -5.857 261 HD3 ARG 35 2HD ARG 35 3.174 4.906 -5.336 262 HE ARG 35 HE ARG 35 2.398 6.783 -6.553 263 HH11 ARG 35 2HH2 ARG 35 5.916 6.714 -6.499 264 HH12 ARG 35 1HH2 ARG 35 6.085 7.931 -7.719 265 HH21 ARG 35 2HH1 ARG 35 2.621 8.388 -8.163 266 HH22 ARG 35 1HH1 ARG 35 4.199 8.890 -8.673 267 H LEU 36 H LEU 36 5.188 3.110 -1.800 268 HA LEU 36 HA LEU 36 4.091 2.904 0.628 269 HB2 LEU 36 1HB LEU 36 6.237 1.164 -0.589 270 HB3 LEU 36 2HB LEU 36 5.298 0.719 0.822 271 HG LEU 36 HG LEU 36 4.153 1.289 -1.926 272 HD11 LEU 36 1HD1 LEU 36 3.796 -1.106 -2.114 273 HD12 LEU 36 2HD1 LEU 36 5.524 -0.755 -1.872 274 HD13 LEU 36 3HD1 LEU 36 4.543 -1.367 -0.520 275 HD21 LEU 36 1HD2 LEU 36 2.146 0.055 -0.799 276 HD22 LEU 36 2HD2 LEU 36 2.903 0.606 0.715 277 HD23 LEU 36 3HD2 LEU 36 2.402 1.793 -0.512 278 H ARG 37 H ARG 37 7.645 3.219 -0.014 279 HA ARG 37 HA ARG 37 8.422 3.090 2.601 280 HB2 ARG 37 1HB ARG 37 9.557 4.102 0.045 281 HB3 ARG 37 2HB ARG 37 10.238 4.877 1.461 282 HG2 ARG 37 1HG ARG 37 10.197 2.192 2.220 283 HG3 ARG 37 2HG ARG 37 10.550 2.087 0.507 284 HD2 ARG 37 1HD ARG 37 12.446 3.691 0.790 285 HD3 ARG 37 2HD ARG 37 12.084 3.829 2.499 286 HE ARG 37 HE ARG 37 12.384 1.070 2.000 287 HH11 ARG 37 2HH2 ARG 37 14.374 3.963 1.768 288 HH12 ARG 37 1HH2 ARG 37 15.859 3.119 2.054 289 HH21 ARG 37 2HH1 ARG 37 14.344 -0.044 2.376 290 HH22 ARG 37 1HH1 ARG 37 15.842 0.825 2.402 291 H GLU 38 H GLU 38 7.944 6.077 0.561 292 HA GLU 38 HA GLU 38 8.331 7.896 2.542 293 HB2 GLU 38 1HB GLU 38 6.984 7.849 -0.101 294 HB3 GLU 38 2HB GLU 38 6.399 9.109 0.968 295 HG2 GLU 38 1HG GLU 38 9.167 9.254 1.325 296 HG3 GLU 38 2HG GLU 38 9.027 8.849 -0.374 297 H ARG 39 H ARG 39 5.372 6.042 1.695 298 HA ARG 39 HA ARG 39 3.707 7.501 3.401 299 HB2 ARG 39 1HB ARG 39 3.336 4.602 2.507 300 HB3 ARG 39 2HB ARG 39 2.074 5.721 2.984 301 HG2 ARG 39 1HG ARG 39 3.560 7.004 0.893 302 HG3 ARG 39 2HG ARG 39 3.280 5.355 0.368 303 HD2 ARG 39 1HD ARG 39 1.149 5.922 -0.170 304 HD3 ARG 39 2HD ARG 39 0.819 6.205 1.528 305 HE ARG 39 HE ARG 39 1.326 8.240 -0.515 306 HH11 ARG 39 2HH2 ARG 39 1.406 7.550 2.935 307 HH12 ARG 39 1HH2 ARG 39 1.278 9.214 3.400 308 HH21 ARG 39 2HH1 ARG 39 1.156 10.434 0.099 309 HH22 ARG 39 1HH1 ARG 39 1.134 10.865 1.776 310 H GLY 40 H GLY 40 6.075 4.953 3.864 311 HA2 GLY 40 1HA GLY 40 6.940 4.414 5.960 312 HA3 GLY 40 2HA GLY 40 5.435 4.886 6.723 313 H GLU 41 H GLU 41 4.599 3.164 3.941 314 HA GLU 41 HA GLU 41 3.813 0.941 5.514 315 HB2 GLU 41 1HB GLU 41 3.659 1.157 2.484 316 HB3 GLU 41 2HB GLU 41 2.638 0.204 3.544 317 HG2 GLU 41 1HG GLU 41 2.525 2.965 4.412 318 HG3 GLU 41 2HG GLU 41 2.251 2.920 2.682 319 HA PRO 42 HA PRO 42 7.074 -1.757 4.559 320 HB2 PRO 42 1HB PRO 42 5.868 -4.210 4.552 321 HB3 PRO 42 2HB PRO 42 6.307 -3.362 6.022 322 HG2 PRO 42 1HG PRO 42 3.631 -3.721 4.818 323 HG3 PRO 42 2HG PRO 42 4.044 -3.264 6.459 324 HD2 PRO 42 1HD PRO 42 3.108 -1.526 4.378 325 HD3 PRO 42 2HD PRO 42 3.632 -1.053 5.982 326 H ILE 43 H ILE 43 8.240 -1.761 2.754 327 HA ILE 43 HA ILE 43 7.138 -1.645 0.270 328 HB ILE 43 HB ILE 43 9.361 -2.467 -0.524 329 HG12 ILE 43 1HG1 ILE 43 10.137 -2.572 2.396 330 HG13 ILE 43 2HG1 ILE 43 9.660 -4.003 1.504 331 HG21 ILE 43 1HG2 ILE 43 9.480 -0.332 1.623 332 HG22 ILE 43 2HG2 ILE 43 10.561 -0.515 0.221 333 HG23 ILE 43 3HG2 ILE 43 8.850 -0.090 -0.024 334 HD11 ILE 43 1HD1 ILE 43 11.554 -3.976 0.151 335 HD12 ILE 43 2HD1 ILE 43 11.728 -2.208 0.250 336 HD13 ILE 43 3HD1 ILE 43 12.220 -3.228 1.622 337 H ARG 44 H ARG 44 7.939 -4.551 2.232 338 HA ARG 44 HA ARG 44 6.306 -6.034 0.350 339 HB2 ARG 44 1HB ARG 44 8.696 -6.546 -0.148 340 HB3 ARG 44 2HB ARG 44 8.969 -6.977 1.528 341 HG2 ARG 44 1HG ARG 44 8.629 -9.024 0.229 342 HG3 ARG 44 2HG ARG 44 7.279 -8.817 1.327 343 HD2 ARG 44 1HD ARG 44 5.842 -8.862 -0.428 344 HD3 ARG 44 2HD ARG 44 6.590 -7.419 -1.083 345 HE ARG 44 HE ARG 44 7.497 -8.788 -2.729 346 HH11 ARG 44 2HH2 ARG 44 7.203 -10.672 0.228 347 HH12 ARG 44 1HH2 ARG 44 7.861 -12.113 -0.473 348 HH21 ARG 44 2HH1 ARG 44 8.365 -10.689 -3.655 349 HH22 ARG 44 1HH1 ARG 44 8.526 -12.123 -2.696 350 H LEU 45 H LEU 45 4.593 -6.875 1.496 351 HA LEU 45 HA LEU 45 4.774 -7.034 4.359 352 HB2 LEU 45 1HB LEU 45 2.640 -7.264 2.292 353 HB3 LEU 45 2HB LEU 45 2.363 -8.025 3.846 354 HG LEU 45 HG LEU 45 3.086 -5.655 4.783 355 HD11 LEU 45 1HD1 LEU 45 3.684 -4.409 2.944 356 HD12 LEU 45 2HD1 LEU 45 2.435 -5.134 1.904 357 HD13 LEU 45 3HD1 LEU 45 1.978 -3.939 3.141 358 HD21 LEU 45 1HD2 LEU 45 0.918 -5.398 5.344 359 HD22 LEU 45 2HD2 LEU 45 0.347 -5.556 3.665 360 HD23 LEU 45 3HD2 LEU 45 0.754 -7.010 4.608 361 H PHE 46 H PHE 46 4.521 -8.953 5.630 362 HA PHE 46 HA PHE 46 6.058 -11.065 4.895 363 HB2 PHE 46 1HB PHE 46 4.008 -10.335 6.903 364 HB3 PHE 46 2HB PHE 46 3.955 -12.055 6.569 365 HD1 PHE 46 2HD PHE 46 5.893 -13.479 7.075 366 HD2 PHE 46 1HD PHE 46 5.886 -9.348 8.046 367 HE1 PHE 46 2HE PHE 46 7.840 -13.838 8.619 368 HE2 PHE 46 1HE PHE 46 7.832 -9.707 9.589 369 HZ PHE 46 HZ PHE 46 8.786 -11.948 9.857 370 H GLY 47 H GLY 47 5.880 -12.466 3.213 371 HA2 GLY 47 1HA GLY 47 4.908 -14.237 2.113 372 HA3 GLY 47 2HA GLY 47 3.350 -13.850 2.817 373 H GLU 48 H GLU 48 3.216 -11.040 2.147 374 HA GLU 48 HA GLU 48 1.933 -11.036 -0.158 375 HB2 GLU 48 1HB GLU 48 3.138 -9.051 1.545 376 HB3 GLU 48 2HB GLU 48 3.433 -8.576 -0.116 377 HG2 GLU 48 1HG GLU 48 1.316 -7.743 -0.110 378 HG3 GLU 48 2HG GLU 48 0.774 -9.406 -0.211 379 H THR 49 H THR 49 2.337 -10.843 -2.397 380 HA THR 49 HA THR 49 5.083 -11.497 -3.159 381 HB THR 49 HB THR 49 2.919 -12.823 -3.824 382 HG1 THR 49 1HG THR 49 4.773 -11.649 -5.777 383 HG21 THR 49 1HG2 THR 49 1.902 -12.000 -5.945 384 HG22 THR 49 2HG2 THR 49 1.586 -10.849 -4.624 385 HG23 THR 49 3HG2 THR 49 2.854 -10.501 -5.825 386 H ASP 50 H ASP 50 6.126 -10.433 -4.967 387 HA ASP 50 HA ASP 50 6.418 -7.830 -4.696 388 HB2 ASP 50 1HB ASP 50 6.832 -7.895 -7.344 389 HB3 ASP 50 2HB ASP 50 7.917 -8.703 -6.230 390 H TYR 51 H TYR 51 4.075 -9.475 -6.941 391 HA TYR 51 HA TYR 51 2.992 -7.216 -8.111 392 HB2 TYR 51 1HB TYR 51 2.721 -9.948 -8.239 393 HB3 TYR 51 2HB TYR 51 1.298 -9.601 -7.278 394 HD1 TYR 51 1HD TYR 51 0.379 -7.037 -8.482 395 HD2 TYR 51 2HD TYR 51 1.881 -10.591 -10.330 396 HE1 TYR 51 1HE TYR 51 -0.914 -6.490 -10.601 397 HE2 TYR 51 2HE TYR 51 0.583 -10.032 -12.443 398 HH TYR 51 HH TYR 51 -0.362 -8.181 -13.536 399 H ASP 52 H ASP 52 2.170 -8.867 -5.012 400 HA ASP 52 HA ASP 52 -0.156 -7.494 -4.520 401 HB2 ASP 52 1HB ASP 52 1.299 -9.428 -3.235 402 HB3 ASP 52 2HB ASP 52 1.651 -8.061 -2.197 403 H ALA 53 H ALA 53 3.299 -6.806 -3.640 404 HA ALA 53 HA ALA 53 2.914 -4.574 -2.078 405 HB1 ALA 53 1HB ALA 53 5.197 -4.372 -2.220 406 HB2 ALA 53 2HB ALA 53 5.040 -6.012 -2.893 407 HB3 ALA 53 3HB ALA 53 5.219 -4.617 -3.983 408 H PHE 54 H PHE 54 3.008 -4.927 -5.658 409 HA PHE 54 HA PHE 54 2.973 -2.156 -6.168 410 HB2 PHE 54 1HB PHE 54 3.668 -3.591 -7.953 411 HB3 PHE 54 2HB PHE 54 2.433 -4.782 -7.598 412 HD1 PHE 54 1HD PHE 54 2.526 -1.178 -8.603 413 HD2 PHE 54 2HD PHE 54 0.821 -5.015 -9.214 414 HE1 PHE 54 1HE PHE 54 1.101 -0.250 -10.449 415 HE2 PHE 54 2HE PHE 54 -0.604 -4.088 -11.060 416 HZ PHE 54 HZ PHE 54 -0.447 -1.717 -11.656 417 H GLN 55 H GLN 55 0.364 -4.678 -6.489 418 HA GLN 55 HA GLN 55 -1.652 -2.965 -7.089 419 HB2 GLN 55 1HB GLN 55 -1.745 -5.545 -5.466 420 HB3 GLN 55 2HB GLN 55 -3.166 -4.752 -6.115 421 HG2 GLN 55 1HG GLN 55 -0.873 -5.357 -7.989 422 HG3 GLN 55 2HG GLN 55 -1.910 -6.677 -7.487 423 HE21 GLN 55 1HE2 GLN 55 -2.604 -6.900 -9.632 424 HE22 GLN 55 2HE2 GLN 55 -3.788 -5.850 -10.338 425 H ARG 56 H ARG 56 -0.448 -3.978 -3.834 426 HA ARG 56 HA ARG 56 -2.374 -2.831 -2.318 427 HB2 ARG 56 1HB ARG 56 -0.223 -4.214 -1.678 428 HB3 ARG 56 2HB ARG 56 0.567 -2.655 -1.549 429 HG2 ARG 56 1HG ARG 56 -1.008 -1.911 0.165 430 HG3 ARG 56 2HG ARG 56 -2.023 -3.319 -0.079 431 HD2 ARG 56 1HD ARG 56 0.861 -3.820 0.629 432 HD3 ARG 56 2HD ARG 56 -0.174 -3.194 1.897 433 HE ARG 56 HE ARG 56 -0.190 -5.877 0.902 434 HH11 ARG 56 2HH2 ARG 56 -2.436 -3.352 1.881 435 HH12 ARG 56 1HH2 ARG 56 -3.677 -4.462 2.356 436 HH21 ARG 56 2HH1 ARG 56 -1.827 -7.343 1.528 437 HH22 ARG 56 1HH1 ARG 56 -3.329 -6.748 2.154 438 H LEU 57 H LEU 57 0.809 -1.340 -3.294 439 HA LEU 57 HA LEU 57 0.254 1.176 -2.241 440 HB2 LEU 57 1HB LEU 57 2.483 0.526 -2.716 441 HB3 LEU 57 2HB LEU 57 2.117 0.205 -4.399 442 HG LEU 57 HG LEU 57 3.419 2.341 -3.802 443 HD11 LEU 57 1HD1 LEU 57 1.229 3.310 -5.465 444 HD12 LEU 57 2HD1 LEU 57 2.933 2.998 -5.874 445 HD13 LEU 57 3HD1 LEU 57 1.750 1.668 -5.911 446 HD21 LEU 57 1HD2 LEU 57 2.205 3.270 -2.022 447 HD22 LEU 57 2HD2 LEU 57 1.838 4.313 -3.417 448 HD23 LEU 57 3HD2 LEU 57 0.651 3.104 -2.874 449 H ARG 58 H ARG 58 -0.176 -0.147 -5.588 450 HA ARG 58 HA ARG 58 -1.019 2.088 -6.806 451 HB2 ARG 58 1HB ARG 58 -1.159 -0.750 -7.273 452 HB3 ARG 58 2HB ARG 58 -2.742 -0.097 -7.647 453 HG2 ARG 58 1HG ARG 58 -0.236 1.262 -8.697 454 HG3 ARG 58 2HG ARG 58 -0.900 -0.132 -9.526 455 HD2 ARG 58 1HD ARG 58 -2.052 1.563 -10.635 456 HD3 ARG 58 2HD ARG 58 -3.193 1.233 -9.346 457 HE ARG 58 HE ARG 58 -1.297 3.194 -8.441 458 HH11 ARG 58 2HH2 ARG 58 -4.024 2.849 -10.639 459 HH12 ARG 58 1HH2 ARG 58 -4.477 4.519 -10.543 460 HH21 ARG 58 2HH1 ARG 58 -1.894 5.396 -8.314 461 HH22 ARG 58 1HH1 ARG 58 -3.257 5.977 -9.211 462 H LYS 59 H LYS 59 -2.631 0.261 -4.279 463 HA LYS 59 HA LYS 59 -5.197 1.507 -4.851 464 HB2 LYS 59 1HB LYS 59 -5.493 -0.743 -4.335 465 HB3 LYS 59 2HB LYS 59 -4.261 -0.740 -3.090 466 HG2 LYS 59 1HG LYS 59 -5.673 0.559 -1.582 467 HG3 LYS 59 2HG LYS 59 -6.847 0.860 -2.847 468 HD2 LYS 59 1HD LYS 59 -7.923 -1.079 -2.379 469 HD3 LYS 59 2HD LYS 59 -6.455 -2.000 -2.639 470 HE2 LYS 59 1HE LYS 59 -7.131 -2.431 -0.363 471 HE3 LYS 59 2HE LYS 59 -5.733 -1.379 -0.270 472 HZ1 LYS 59 1HZ LYS 59 -7.444 -0.580 1.152 473 HZ2 LYS 59 2HZ LYS 59 -7.271 0.490 -0.070 474 HZ3 LYS 59 3HZ LYS 59 -8.540 -0.538 -0.058 475 H ILE 60 H ILE 60 -2.372 1.734 -2.729 476 HA ILE 60 HA ILE 60 -3.633 3.297 -0.738 477 HB ILE 60 HB ILE 60 -0.769 2.789 -1.510 478 HG12 ILE 60 1HG1 ILE 60 -2.450 1.885 0.846 479 HG13 ILE 60 2HG1 ILE 60 -2.027 0.906 -0.544 480 HG21 ILE 60 1HG2 ILE 60 -1.642 4.269 0.974 481 HG22 ILE 60 2HG2 ILE 60 0.006 4.021 0.349 482 HG23 ILE 60 3HG2 ILE 60 -1.122 5.095 -0.514 483 HD11 ILE 60 1HD1 ILE 60 0.074 2.232 1.222 484 HD12 ILE 60 2HD1 ILE 60 -0.544 0.589 1.515 485 HD13 ILE 60 3HD1 ILE 60 0.325 0.958 0.006 486 H GLU 61 H GLU 61 -1.664 4.055 -3.676 487 HA GLU 61 HA GLU 61 -1.472 6.733 -3.342 488 HB2 GLU 61 1HB GLU 61 -1.895 5.161 -5.920 489 HB3 GLU 61 2HB GLU 61 -1.370 6.832 -5.870 490 HG2 GLU 61 1HG GLU 61 0.111 4.595 -4.416 491 HG3 GLU 61 2HG GLU 61 0.494 5.072 -6.059 492 H ILE 62 H ILE 62 -4.317 4.797 -4.139 493 HA ILE 62 HA ILE 62 -5.871 6.792 -5.321 494 HB ILE 62 HB ILE 62 -6.689 4.382 -3.695 495 HG12 ILE 62 1HG1 ILE 62 -5.526 3.398 -5.396 496 HG13 ILE 62 2HG1 ILE 62 -7.091 3.559 -6.168 497 HG21 ILE 62 1HG2 ILE 62 -8.230 6.430 -5.189 498 HG22 ILE 62 2HG2 ILE 62 -8.701 4.732 -5.446 499 HG23 ILE 62 3HG2 ILE 62 -8.696 5.415 -3.802 500 HD11 ILE 62 1HD1 ILE 62 -5.368 4.350 -7.710 501 HD12 ILE 62 2HD1 ILE 62 -6.333 5.746 -7.174 502 HD13 ILE 62 3HD1 ILE 62 -4.721 5.458 -6.476 503 H LEU 63 H LEU 63 -5.596 5.704 -1.871 504 HA LEU 63 HA LEU 63 -7.433 7.304 -0.719 505 HB2 LEU 63 1HB LEU 63 -4.974 5.976 0.073 506 HB3 LEU 63 2HB LEU 63 -5.243 7.439 0.999 507 HG LEU 63 HG LEU 63 -7.258 5.195 0.700 508 HD11 LEU 63 1HD1 LEU 63 -6.661 4.445 2.875 509 HD12 LEU 63 2HD1 LEU 63 -5.152 4.589 1.942 510 HD13 LEU 63 3HD1 LEU 63 -5.583 5.837 3.135 511 HD21 LEU 63 1HD2 LEU 63 -8.746 6.403 1.865 512 HD22 LEU 63 2HD2 LEU 63 -7.504 7.098 2.935 513 HD23 LEU 63 3HD2 LEU 63 -7.781 7.797 1.322 514 H THR 64 H THR 64 -4.002 8.370 -0.441 515 HA THR 64 HA THR 64 -4.458 10.989 0.001 516 HB THR 64 HB THR 64 -2.263 9.511 -0.192 517 HG1 THR 64 1HG THR 64 -1.177 11.626 -0.346 518 HG21 THR 64 1HG2 THR 64 -2.425 10.911 -2.913 519 HG22 THR 64 2HG2 THR 64 -0.931 10.243 -2.213 520 HG23 THR 64 3HG2 THR 64 -2.275 9.158 -2.642 521 HA PRO 65 HA PRO 65 -6.155 12.717 -3.545 522 HB2 PRO 65 1HB PRO 65 -5.646 15.364 -3.092 523 HB3 PRO 65 2HB PRO 65 -6.981 14.504 -2.351 524 HG2 PRO 65 1HG PRO 65 -4.426 15.360 -1.137 525 HG3 PRO 65 2HG PRO 65 -5.917 14.895 -0.343 526 HD2 PRO 65 1HD PRO 65 -3.544 13.305 -0.604 527 HD3 PRO 65 2HD PRO 65 -5.074 12.800 0.087 528 H GLU 66 H GLU 66 -5.432 14.969 -4.999 529 HA GLU 66 HA GLU 66 -2.743 14.239 -5.830 530 HB2 GLU 66 1HB GLU 66 -3.388 14.263 -8.187 531 HB3 GLU 66 2HB GLU 66 -4.375 13.095 -7.330 532 HG2 GLU 66 1HG GLU 66 -6.128 14.165 -8.342 533 HG3 GLU 66 2HG GLU 66 -5.940 15.333 -7.050 534 H VAL 67 H VAL 67 -1.510 15.983 -6.754 535 HA VAL 67 HA VAL 67 -2.848 18.587 -6.700 536 HB VAL 67 HB VAL 67 -1.476 17.915 -4.588 537 HG11 VAL 67 1HG1 VAL 67 0.510 17.492 -6.450 538 HG12 VAL 67 2HG1 VAL 67 0.903 19.114 -5.832 539 HG13 VAL 67 3HG1 VAL 67 0.762 17.743 -4.706 540 HG21 VAL 67 1HG2 VAL 67 -1.953 20.072 -4.258 541 HG22 VAL 67 2HG2 VAL 67 -0.398 20.467 -5.029 542 HG23 VAL 67 3HG2 VAL 67 -1.887 20.417 -6.003 543 H ASN 68 H ASN 68 -0.218 19.906 -7.219 544 HA ASN 68 HA ASN 68 -0.309 19.728 -9.984 545 HB2 ASN 68 1HB ASN 68 1.829 20.858 -8.105 546 HB3 ASN 68 2HB ASN 68 1.845 21.109 -9.840 547 HD21 ASN 68 1HD2 ASN 68 1.535 22.934 -7.506 548 HD22 ASN 68 2HD2 ASN 68 0.099 23.858 -7.798 549 H LYS 69 H LYS 69 0.467 17.985 -11.185 550 HA LYS 69 HA LYS 69 3.133 17.054 -10.726 551 HB2 LYS 69 1HB LYS 69 1.500 15.799 -9.093 552 HB3 LYS 69 2HB LYS 69 1.041 14.907 -10.529 553 HG2 LYS 69 1HG LYS 69 3.491 14.400 -10.940 554 HG3 LYS 69 2HG LYS 69 3.874 15.193 -9.424 555 HD2 LYS 69 1HD LYS 69 3.572 13.160 -8.447 556 HD3 LYS 69 2HD LYS 69 1.855 13.433 -8.661 557 HE2 LYS 69 1HE LYS 69 1.770 12.143 -10.669 558 HE3 LYS 69 2HE LYS 69 3.501 12.245 -10.921 559 HZ1 LYS 69 1HZ LYS 69 2.655 11.005 -8.462 560 HZ2 LYS 69 2HZ LYS 69 2.336 10.169 -9.829 561 HZ3 LYS 69 3HZ LYS 69 3.871 10.595 -9.472 562 H GLY 70 H GLY 70 4.021 16.215 -12.613 563 HA2 GLY 70 1HA GLY 70 2.473 16.656 -15.006 564 HA3 GLY 70 2HA GLY 70 4.158 16.188 -14.885 565 H SER 71 H SER 71 1.260 15.144 -16.046 566 HA SER 71 HA SER 71 2.186 12.496 -16.264 567 HB2 SER 71 1HB SER 71 0.761 12.930 -13.929 568 HB3 SER 71 2HB SER 71 -0.509 12.415 -15.020 569 HG SER 71 HG SER 71 0.177 10.438 -14.559 570 H GLY 72 H GLY 72 0.716 11.197 -17.719 571 HA2 GLY 72 1HA GLY 72 -1.392 12.751 -19.032 572 HA3 GLY 72 2HA GLY 72 -0.016 12.258 -20.000 573 HA PRO 73 HA PRO 73 -2.452 8.397 -18.638 574 HB2 PRO 73 1HB PRO 73 -5.041 8.758 -17.841 575 HB3 PRO 73 2HB PRO 73 -3.709 8.576 -16.717 576 HG2 PRO 73 1HG PRO 73 -5.185 11.027 -17.459 577 HG3 PRO 73 2HG PRO 73 -4.166 10.740 -16.063 578 HD2 PRO 73 1HD PRO 73 -3.476 12.233 -18.413 579 HD3 PRO 73 2HD PRO 73 -2.420 11.847 -17.069 580 H SER 74 H SER 74 -4.091 6.983 -19.718 581 HA SER 74 HA SER 74 -5.709 8.153 -21.648 582 HB2 SER 74 1HB SER 74 -4.521 7.657 -23.704 583 HB3 SER 74 2HB SER 74 -3.489 8.664 -22.710 584 HG SER 74 HG SER 74 -2.424 6.763 -23.715 585 H SER 75 H SER 75 -6.670 6.399 -23.131 586 HA SER 75 HA SER 75 -6.527 3.868 -21.696 587 HB2 SER 75 1HB SER 75 -8.749 5.390 -23.007 588 HB3 SER 75 2HB SER 75 -8.814 3.645 -23.158 589 HG SER 75 HG SER 75 -8.416 4.964 -20.617 590 H GLY 76 H GLY 76 -6.696 1.857 -23.025 591 HA2 GLY 76 1HA GLY 76 -5.704 0.602 -24.637 592 HA3 GLY 76 2HA GLY 76 -6.783 1.514 -25.674 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -29.691 59.983 -8.859 2 HA2 GLY 1 1HA GLY 1 -27.244 59.093 -10.128 3 HA3 GLY 1 2HA GLY 1 -27.315 58.817 -8.399 4 H SER 2 H SER 2 -27.137 56.515 -9.609 5 HA SER 2 HA SER 2 -29.438 55.177 -8.989 6 HB2 SER 2 1HB SER 2 -30.138 54.435 -11.337 7 HB3 SER 2 2HB SER 2 -30.594 56.064 -10.879 8 HG SER 2 HG SER 2 -29.710 56.162 -12.967 9 H SER 3 H SER 3 -29.126 52.852 -9.197 10 HA SER 3 HA SER 3 -27.069 51.798 -10.754 11 HB2 SER 3 1HB SER 3 -26.390 52.592 -7.948 12 HB3 SER 3 2HB SER 3 -25.840 51.007 -8.455 13 HG SER 3 HG SER 3 -25.209 53.572 -9.615 14 H GLY 4 H GLY 4 -26.597 49.380 -9.893 15 HA2 GLY 4 1HA GLY 4 -28.345 48.121 -8.131 16 HA3 GLY 4 2HA GLY 4 -29.113 48.101 -9.706 17 H SER 5 H SER 5 -28.034 45.818 -8.128 18 HA SER 5 HA SER 5 -26.759 44.522 -10.246 19 HB2 SER 5 1HB SER 5 -24.876 45.980 -9.148 20 HB3 SER 5 2HB SER 5 -24.939 44.820 -7.837 21 HG SER 5 HG SER 5 -24.811 43.680 -10.416 22 H SER 6 H SER 6 -26.413 42.189 -9.732 23 HA SER 6 HA SER 6 -26.673 41.039 -7.319 24 HB2 SER 6 1HB SER 6 -29.257 42.083 -8.238 25 HB3 SER 6 2HB SER 6 -29.323 40.349 -7.998 26 HG SER 6 HG SER 6 -28.115 40.990 -5.852 27 H GLY 7 H GLY 7 -26.591 38.734 -7.532 28 HA2 GLY 7 1HA GLY 7 -27.478 37.352 -9.835 29 HA3 GLY 7 2HA GLY 7 -25.772 37.719 -9.989 30 H THR 8 H THR 8 -28.008 35.468 -8.816 31 HA THR 8 HA THR 8 -26.338 34.562 -6.609 32 HB THR 8 HB THR 8 -28.312 32.829 -6.554 33 HG1 THR 8 1HG THR 8 -29.231 33.177 -8.601 34 HG21 THR 8 1HG2 THR 8 -29.997 34.785 -5.921 35 HG22 THR 8 2HG2 THR 8 -28.567 34.508 -4.899 36 HG23 THR 8 3HG2 THR 8 -28.562 35.821 -6.100 37 H SER 9 H SER 9 -25.415 32.452 -6.482 38 HA SER 9 HA SER 9 -25.481 30.685 -8.609 39 HB2 SER 9 1HB SER 9 -23.077 30.988 -9.401 40 HB3 SER 9 2HB SER 9 -24.206 32.216 -9.938 41 HG SER 9 HG SER 9 -22.527 33.427 -9.191 42 H SER 10 H SER 10 -24.319 28.729 -8.073 43 HA SER 10 HA SER 10 -22.348 28.625 -6.144 44 HB2 SER 10 1HB SER 10 -24.253 29.293 -4.627 45 HB3 SER 10 2HB SER 10 -25.091 27.821 -5.077 46 HG SER 10 HG SER 10 -24.017 26.942 -3.446 47 H ASN 11 H ASN 11 -21.573 26.419 -5.874 48 HA ASN 11 HA ASN 11 -23.053 24.508 -7.504 49 HB2 ASN 11 1HB ASN 11 -20.451 25.577 -8.003 50 HB3 ASN 11 2HB ASN 11 -20.173 23.955 -7.399 51 HD21 ASN 11 1HD2 ASN 11 -22.065 25.837 -9.725 52 HD22 ASN 11 2HD2 ASN 11 -22.204 24.618 -10.948 53 HA PRO 12 HA PRO 12 -22.481 21.956 -3.981 54 HB2 PRO 12 1HB PRO 12 -22.826 19.463 -5.046 55 HB3 PRO 12 2HB PRO 12 -24.160 20.524 -4.638 56 HG2 PRO 12 1HG PRO 12 -23.068 19.861 -7.304 57 HG3 PRO 12 2HG PRO 12 -24.625 20.556 -6.897 58 HD2 PRO 12 1HD PRO 12 -22.349 21.944 -7.955 59 HD3 PRO 12 2HD PRO 12 -23.865 22.657 -7.440 60 H VAL 13 H VAL 13 -20.646 20.971 -6.807 61 HA VAL 13 HA VAL 13 -18.694 19.883 -6.936 62 HB VAL 13 HB VAL 13 -18.070 22.204 -6.673 63 HG11 VAL 13 1HG1 VAL 13 -17.353 23.074 -4.440 64 HG12 VAL 13 2HG1 VAL 13 -19.099 22.753 -4.561 65 HG13 VAL 13 3HG1 VAL 13 -18.042 21.611 -3.696 66 HG21 VAL 13 1HG2 VAL 13 -16.058 20.785 -4.957 67 HG22 VAL 13 2HG2 VAL 13 -16.374 20.183 -6.603 68 HG23 VAL 13 3HG2 VAL 13 -15.812 21.854 -6.359 69 H LEU 14 H LEU 14 -20.192 18.160 -5.619 70 HA LEU 14 HA LEU 14 -18.504 17.350 -3.358 71 HB2 LEU 14 1HB LEU 14 -21.492 17.428 -3.600 72 HB3 LEU 14 2HB LEU 14 -20.721 16.238 -2.570 73 HG LEU 14 HG LEU 14 -19.894 19.082 -2.213 74 HD11 LEU 14 1HD1 LEU 14 -22.336 18.304 -0.722 75 HD12 LEU 14 2HD1 LEU 14 -21.810 19.891 -1.332 76 HD13 LEU 14 3HD1 LEU 14 -22.551 18.712 -2.441 77 HD21 LEU 14 1HD2 LEU 14 -19.751 18.428 0.123 78 HD22 LEU 14 2HD2 LEU 14 -20.479 16.847 -0.251 79 HD23 LEU 14 3HD2 LEU 14 -18.876 17.266 -0.903 80 H GLU 15 H GLU 15 -17.216 15.835 -4.339 81 HA GLU 15 HA GLU 15 -18.479 13.425 -5.072 82 HB2 GLU 15 1HB GLU 15 -18.504 15.077 -7.177 83 HB3 GLU 15 2HB GLU 15 -16.840 14.552 -7.338 84 HG2 GLU 15 1HG GLU 15 -17.437 12.452 -8.029 85 HG3 GLU 15 2HG GLU 15 -18.698 12.308 -6.821 86 H LEU 16 H LEU 16 -17.124 11.818 -4.380 87 HA LEU 16 HA LEU 16 -14.263 12.211 -4.658 88 HB2 LEU 16 1HB LEU 16 -15.729 12.160 -2.063 89 HB3 LEU 16 2HB LEU 16 -14.200 11.310 -2.161 90 HG LEU 16 HG LEU 16 -14.194 14.085 -3.213 91 HD11 LEU 16 1HD1 LEU 16 -14.615 15.234 -1.320 92 HD12 LEU 16 2HD1 LEU 16 -15.603 13.807 -0.924 93 HD13 LEU 16 3HD1 LEU 16 -13.956 13.961 -0.265 94 HD21 LEU 16 1HD2 LEU 16 -12.117 12.991 -3.230 95 HD22 LEU 16 2HD2 LEU 16 -12.048 14.085 -1.827 96 HD23 LEU 16 3HD2 LEU 16 -12.341 12.345 -1.586 97 H GLU 17 H GLU 17 -13.836 10.479 -5.938 98 HA GLU 17 HA GLU 17 -13.989 7.938 -4.864 99 HB2 GLU 17 1HB GLU 17 -16.436 8.786 -6.154 100 HB3 GLU 17 2HB GLU 17 -15.712 7.512 -7.115 101 HG2 GLU 17 1HG GLU 17 -16.089 7.297 -4.094 102 HG3 GLU 17 2HG GLU 17 -17.288 6.738 -5.244 103 H LEU 18 H LEU 18 -12.462 6.692 -5.920 104 HA LEU 18 HA LEU 18 -11.632 7.678 -8.562 105 HB2 LEU 18 1HB LEU 18 -10.089 6.893 -6.140 106 HB3 LEU 18 2HB LEU 18 -9.417 6.474 -7.703 107 HG LEU 18 HG LEU 18 -8.500 8.574 -6.918 108 HD11 LEU 18 1HD1 LEU 18 -9.103 8.133 -9.394 109 HD12 LEU 18 2HD1 LEU 18 -10.372 9.356 -9.141 110 HD13 LEU 18 3HD1 LEU 18 -8.661 9.784 -8.896 111 HD21 LEU 18 1HD2 LEU 18 -11.299 9.726 -6.971 112 HD22 LEU 18 2HD2 LEU 18 -10.460 9.198 -5.493 113 HD23 LEU 18 3HD2 LEU 18 -9.795 10.533 -6.466 114 H ALA 19 H ALA 19 -11.211 6.142 -10.188 115 HA ALA 19 HA ALA 19 -11.472 3.344 -9.517 116 HB1 ALA 19 1HB ALA 19 -13.724 4.901 -10.420 117 HB2 ALA 19 2HB ALA 19 -13.262 3.752 -11.699 118 HB3 ALA 19 3HB ALA 19 -13.642 3.159 -10.064 119 H GLU 20 H GLU 20 -11.891 2.469 -12.225 120 HA GLU 20 HA GLU 20 -10.844 2.126 -14.098 121 HB2 GLU 20 1HB GLU 20 -10.929 4.855 -14.020 122 HB3 GLU 20 2HB GLU 20 -9.194 4.620 -14.088 123 HG2 GLU 20 1HG GLU 20 -9.309 3.447 -16.171 124 HG3 GLU 20 2HG GLU 20 -11.024 3.130 -16.002 125 H GLU 21 H GLU 21 -9.771 0.516 -12.529 126 HA GLU 21 HA GLU 21 -6.991 1.201 -12.078 127 HB2 GLU 21 1HB GLU 21 -8.854 -0.910 -10.963 128 HB3 GLU 21 2HB GLU 21 -7.120 -1.117 -10.825 129 HG2 GLU 21 1HG GLU 21 -8.310 1.540 -10.017 130 HG3 GLU 21 2HG GLU 21 -8.524 0.174 -8.940 131 H LYS 22 H LYS 22 -7.873 0.785 -14.798 132 HA LYS 22 HA LYS 22 -7.215 -1.907 -15.522 133 HB2 LYS 22 1HB LYS 22 -8.723 0.076 -16.657 134 HB3 LYS 22 2HB LYS 22 -7.260 0.178 -17.615 135 HG2 LYS 22 1HG LYS 22 -7.752 -2.602 -17.348 136 HG3 LYS 22 2HG LYS 22 -9.332 -1.895 -17.619 137 HD2 LYS 22 1HD LYS 22 -8.605 -0.837 -19.684 138 HD3 LYS 22 2HD LYS 22 -6.923 -1.207 -19.357 139 HE2 LYS 22 1HE LYS 22 -7.162 -3.164 -20.477 140 HE3 LYS 22 2HE LYS 22 -8.285 -3.709 -19.247 141 HZ1 LYS 22 1HZ LYS 22 -9.841 -3.593 -20.779 142 HZ2 LYS 22 2HZ LYS 22 -9.674 -1.970 -20.854 143 HZ3 LYS 22 3HZ LYS 22 -8.829 -2.926 -21.874 144 H LEU 23 H LEU 23 -5.645 -1.346 -17.889 145 HA LEU 23 HA LEU 23 -3.534 -1.226 -18.519 146 HB2 LEU 23 1HB LEU 23 -3.984 1.135 -16.939 147 HB3 LEU 23 2HB LEU 23 -2.326 0.603 -16.742 148 HG LEU 23 HG LEU 23 -3.142 0.553 -19.542 149 HD11 LEU 23 1HD1 LEU 23 -2.992 3.334 -18.423 150 HD12 LEU 23 2HD1 LEU 23 -3.655 2.761 -19.973 151 HD13 LEU 23 3HD1 LEU 23 -4.547 2.468 -18.461 152 HD21 LEU 23 1HD2 LEU 23 -0.957 0.862 -19.759 153 HD22 LEU 23 2HD2 LEU 23 -1.057 2.433 -18.928 154 HD23 LEU 23 3HD2 LEU 23 -0.817 0.942 -17.986 155 HA PRO 24 HA PRO 24 -1.377 -3.924 -15.932 156 HB2 PRO 24 1HB PRO 24 1.086 -3.959 -17.115 157 HB3 PRO 24 2HB PRO 24 -0.280 -4.877 -17.717 158 HG2 PRO 24 1HG PRO 24 0.907 -2.395 -18.799 159 HG3 PRO 24 2HG PRO 24 -0.153 -3.542 -19.594 160 HD2 PRO 24 1HD PRO 24 -0.881 -0.972 -18.549 161 HD3 PRO 24 2HD PRO 24 -1.961 -2.167 -19.239 162 H MET 25 H MET 25 1.292 -4.054 -15.173 163 HA MET 25 HA MET 25 1.193 -2.379 -12.984 164 HB2 MET 25 1HB MET 25 2.684 -4.549 -13.761 165 HB3 MET 25 2HB MET 25 3.872 -3.291 -14.032 166 HG2 MET 25 1HG MET 25 3.336 -2.465 -11.632 167 HG3 MET 25 2HG MET 25 2.456 -3.965 -11.416 168 HE1 MET 25 1HE MET 25 3.906 -5.075 -9.548 169 HE2 MET 25 2HE MET 25 3.390 -6.118 -10.895 170 HE3 MET 25 3HE MET 25 5.037 -6.264 -10.236 171 H THR 26 H THR 26 1.101 -0.161 -13.204 172 HA THR 26 HA THR 26 2.717 1.136 -15.224 173 HB THR 26 HB THR 26 1.498 3.169 -14.265 174 HG1 THR 26 1HG THR 26 0.525 2.763 -12.318 175 HG21 THR 26 1HG2 THR 26 0.368 0.967 -15.723 176 HG22 THR 26 2HG2 THR 26 -0.828 1.443 -14.493 177 HG23 THR 26 3HG2 THR 26 -0.228 2.643 -15.663 178 H LEU 27 H LEU 27 2.588 0.873 -11.633 179 HA LEU 27 HA LEU 27 5.122 2.337 -11.562 180 HB2 LEU 27 1HB LEU 27 3.608 1.602 -9.105 181 HB3 LEU 27 2HB LEU 27 4.625 2.992 -9.428 182 HG LEU 27 HG LEU 27 1.965 2.662 -10.811 183 HD11 LEU 27 1HD1 LEU 27 1.241 4.338 -8.900 184 HD12 LEU 27 2HD1 LEU 27 1.125 2.575 -8.687 185 HD13 LEU 27 3HD1 LEU 27 2.494 3.468 -7.982 186 HD21 LEU 27 1HD2 LEU 27 2.217 5.273 -10.558 187 HD22 LEU 27 2HD2 LEU 27 3.943 4.869 -10.401 188 HD23 LEU 27 3HD2 LEU 27 3.045 4.388 -11.861 189 H SER 28 H SER 28 6.902 1.084 -11.682 190 HA SER 28 HA SER 28 6.776 -1.666 -11.247 191 HB2 SER 28 1HB SER 28 8.658 0.246 -12.245 192 HB3 SER 28 2HB SER 28 9.484 -0.659 -10.992 193 HG SER 28 HG SER 28 9.357 -1.490 -13.379 194 H ARG 29 H ARG 29 8.409 -2.794 -9.644 195 HA ARG 29 HA ARG 29 7.580 -2.626 -7.175 196 HB2 ARG 29 1HB ARG 29 10.220 -3.151 -6.631 197 HB3 ARG 29 2HB ARG 29 9.121 -4.333 -7.314 198 HG2 ARG 29 1HG ARG 29 10.065 -4.210 -9.421 199 HG3 ARG 29 2HG ARG 29 10.392 -2.493 -9.296 200 HD2 ARG 29 1HD ARG 29 12.263 -3.046 -7.646 201 HD3 ARG 29 2HD ARG 29 11.991 -4.743 -7.985 202 HE ARG 29 HE ARG 29 13.276 -2.793 -9.754 203 HH11 ARG 29 2HH2 ARG 29 11.590 -5.879 -9.609 204 HH12 ARG 29 1HH2 ARG 29 12.260 -6.459 -11.098 205 HH21 ARG 29 2HH1 ARG 29 14.158 -3.558 -11.718 206 HH22 ARG 29 1HH1 ARG 29 13.730 -5.130 -12.305 207 H GLN 30 H GLN 30 10.706 -1.002 -8.130 208 HA GLN 30 HA GLN 30 11.072 0.412 -5.866 209 HB2 GLN 30 1HB GLN 30 12.165 0.358 -8.490 210 HB3 GLN 30 2HB GLN 30 11.810 2.043 -8.165 211 HG2 GLN 30 1HG GLN 30 13.081 1.929 -6.035 212 HG3 GLN 30 2HG GLN 30 13.380 0.220 -6.281 213 HE21 GLN 30 1HE2 GLN 30 15.272 -0.270 -7.058 214 HE22 GLN 30 2HE2 GLN 30 16.269 0.692 -8.098 215 H GLU 31 H GLU 31 9.217 1.445 -8.808 216 HA GLU 31 HA GLU 31 8.581 3.956 -7.946 217 HB2 GLU 31 1HB GLU 31 8.178 2.888 -10.236 218 HB3 GLU 31 2HB GLU 31 6.740 2.147 -9.564 219 HG2 GLU 31 1HG GLU 31 6.053 4.204 -10.648 220 HG3 GLU 31 2HG GLU 31 5.909 4.453 -8.919 221 H VAL 32 H VAL 32 7.442 0.839 -6.816 222 HA VAL 32 HA VAL 32 5.142 2.056 -5.504 223 HB VAL 32 HB VAL 32 6.077 -0.742 -6.055 224 HG11 VAL 32 1HG1 VAL 32 5.304 -1.448 -4.077 225 HG12 VAL 32 2HG1 VAL 32 4.610 0.146 -3.693 226 HG13 VAL 32 3HG1 VAL 32 3.679 -1.020 -4.664 227 HG21 VAL 32 1HG2 VAL 32 3.340 -0.491 -6.534 228 HG22 VAL 32 2HG2 VAL 32 4.020 1.073 -7.045 229 HG23 VAL 32 3HG2 VAL 32 4.643 -0.440 -7.746 230 H ILE 33 H ILE 33 8.399 0.746 -4.911 231 HA ILE 33 HA ILE 33 8.099 0.570 -2.101 232 HB ILE 33 HB ILE 33 10.455 0.609 -3.973 233 HG12 ILE 33 1HG1 ILE 33 9.293 -1.598 -2.249 234 HG13 ILE 33 2HG1 ILE 33 8.940 -1.375 -3.951 235 HG21 ILE 33 1HG2 ILE 33 11.255 -0.353 -1.432 236 HG22 ILE 33 2HG2 ILE 33 11.840 1.082 -2.309 237 HG23 ILE 33 3HG2 ILE 33 10.476 1.227 -1.175 238 HD11 ILE 33 1HD1 ILE 33 11.549 -1.402 -4.272 239 HD12 ILE 33 2HD1 ILE 33 11.568 -2.140 -2.652 240 HD13 ILE 33 3HD1 ILE 33 10.704 -2.942 -3.985 241 H ARG 34 H ARG 34 9.110 3.116 -4.409 242 HA ARG 34 HA ARG 34 10.272 4.836 -2.670 243 HB2 ARG 34 1HB ARG 34 9.826 4.968 -5.275 244 HB3 ARG 34 2HB ARG 34 8.372 5.835 -4.823 245 HG2 ARG 34 1HG ARG 34 9.781 7.459 -3.505 246 HG3 ARG 34 2HG ARG 34 11.220 6.612 -4.035 247 HD2 ARG 34 1HD ARG 34 10.271 7.029 -6.471 248 HD3 ARG 34 2HD ARG 34 9.280 8.250 -5.698 249 HE ARG 34 HE ARG 34 12.136 8.411 -6.198 250 HH11 ARG 34 2HH2 ARG 34 9.607 9.460 -3.988 251 HH12 ARG 34 1HH2 ARG 34 10.468 10.871 -3.470 252 HH21 ARG 34 2HH1 ARG 34 13.272 10.272 -5.515 253 HH22 ARG 34 1HH1 ARG 34 12.567 11.336 -4.345 254 H ARG 35 H ARG 35 6.805 5.008 -3.798 255 HA ARG 35 HA ARG 35 6.030 6.911 -2.014 256 HB2 ARG 35 1HB ARG 35 4.506 4.643 -3.364 257 HB3 ARG 35 2HB ARG 35 3.680 5.809 -2.350 258 HG2 ARG 35 1HG ARG 35 3.762 7.420 -3.958 259 HG3 ARG 35 2HG ARG 35 5.469 7.152 -4.251 260 HD2 ARG 35 1HD ARG 35 5.050 5.414 -5.843 261 HD3 ARG 35 2HD ARG 35 3.406 5.173 -5.286 262 HE ARG 35 HE ARG 35 2.702 6.952 -6.641 263 HH11 ARG 35 2HH2 ARG 35 6.201 7.071 -6.291 264 HH12 ARG 35 1HH2 ARG 35 6.404 8.325 -7.470 265 HH21 ARG 35 2HH1 ARG 35 2.969 8.605 -8.196 266 HH22 ARG 35 1HH1 ARG 35 4.553 9.203 -8.560 267 H LEU 36 H LEU 36 5.389 3.326 -1.778 268 HA LEU 36 HA LEU 36 4.274 3.177 0.649 269 HB2 LEU 36 1HB LEU 36 6.344 1.363 -0.589 270 HB3 LEU 36 2HB LEU 36 5.449 0.956 0.861 271 HG LEU 36 HG LEU 36 4.191 1.547 -1.832 272 HD11 LEU 36 1HD1 LEU 36 3.751 -0.892 -1.922 273 HD12 LEU 36 2HD1 LEU 36 5.482 -0.484 -1.992 274 HD13 LEU 36 3HD1 LEU 36 4.773 -1.101 -0.480 275 HD21 LEU 36 1HD2 LEU 36 2.555 2.060 -0.256 276 HD22 LEU 36 2HD2 LEU 36 2.214 0.363 -0.673 277 HD23 LEU 36 3HD2 LEU 36 3.060 0.755 0.844 278 H ARG 37 H ARG 37 7.798 3.563 -0.036 279 HA ARG 37 HA ARG 37 8.641 3.326 2.558 280 HB2 ARG 37 1HB ARG 37 9.697 4.432 0.016 281 HB3 ARG 37 2HB ARG 37 10.374 5.218 1.428 282 HG2 ARG 37 1HG ARG 37 10.542 2.611 2.241 283 HG3 ARG 37 2HG ARG 37 10.665 2.381 0.508 284 HD2 ARG 37 1HD ARG 37 12.612 3.814 0.353 285 HD3 ARG 37 2HD ARG 37 12.376 4.433 1.976 286 HE ARG 37 HE ARG 37 13.574 1.850 1.240 287 HH11 ARG 37 2HH2 ARG 37 12.102 3.748 3.812 288 HH12 ARG 37 1HH2 ARG 37 12.814 2.812 5.084 289 HH21 ARG 37 2HH1 ARG 37 14.513 0.615 2.918 290 HH22 ARG 37 1HH1 ARG 37 14.194 1.018 4.572 291 H GLU 38 H GLU 38 8.112 6.398 0.660 292 HA GLU 38 HA GLU 38 8.433 8.083 2.802 293 HB2 GLU 38 1HB GLU 38 7.892 9.750 1.309 294 HB3 GLU 38 2HB GLU 38 8.128 8.452 0.155 295 HG2 GLU 38 1HG GLU 38 5.633 7.941 0.336 296 HG3 GLU 38 2HG GLU 38 5.464 9.378 1.324 297 H ARG 39 H ARG 39 5.597 6.229 1.677 298 HA ARG 39 HA ARG 39 3.719 7.629 3.172 299 HB2 ARG 39 1HB ARG 39 3.625 4.679 2.365 300 HB3 ARG 39 2HB ARG 39 2.246 5.697 2.731 301 HG2 ARG 39 1HG ARG 39 3.939 6.912 0.660 302 HG3 ARG 39 2HG ARG 39 3.429 5.302 0.194 303 HD2 ARG 39 1HD ARG 39 1.436 6.208 -0.418 304 HD3 ARG 39 2HD ARG 39 1.095 6.441 1.285 305 HE ARG 39 HE ARG 39 1.953 8.501 -0.629 306 HH11 ARG 39 2HH2 ARG 39 1.635 7.638 2.767 307 HH12 ARG 39 1HH2 ARG 39 1.638 9.281 3.317 308 HH21 ARG 39 2HH1 ARG 39 1.958 10.669 0.095 309 HH22 ARG 39 1HH1 ARG 39 1.823 11.016 1.787 310 H GLY 40 H GLY 40 6.239 5.400 4.043 311 HA2 GLY 40 1HA GLY 40 6.913 4.890 6.175 312 HA3 GLY 40 2HA GLY 40 5.378 5.442 6.816 313 H GLU 41 H GLU 41 4.738 3.483 4.114 314 HA GLU 41 HA GLU 41 3.930 1.362 5.869 315 HB2 GLU 41 1HB GLU 41 3.567 1.413 2.856 316 HB3 GLU 41 2HB GLU 41 2.584 0.591 4.052 317 HG2 GLU 41 1HG GLU 41 2.569 3.356 4.782 318 HG3 GLU 41 2HG GLU 41 2.338 3.312 3.045 319 HA PRO 42 HA PRO 42 7.114 -1.374 4.776 320 HB2 PRO 42 1HB PRO 42 5.909 -3.823 4.907 321 HB3 PRO 42 2HB PRO 42 6.440 -2.940 6.324 322 HG2 PRO 42 1HG PRO 42 3.693 -3.322 5.300 323 HG3 PRO 42 2HG PRO 42 4.209 -2.826 6.899 324 HD2 PRO 42 1HD PRO 42 3.145 -1.138 4.838 325 HD3 PRO 42 2HD PRO 42 3.769 -0.626 6.393 326 H ILE 43 H ILE 43 8.208 -1.570 2.936 327 HA ILE 43 HA ILE 43 6.929 -1.478 0.506 328 HB ILE 43 HB ILE 43 9.109 -2.312 -0.395 329 HG12 ILE 43 1HG1 ILE 43 10.377 -2.121 2.277 330 HG13 ILE 43 2HG1 ILE 43 9.421 -3.564 2.000 331 HG21 ILE 43 1HG2 ILE 43 10.415 -0.336 0.712 332 HG22 ILE 43 2HG2 ILE 43 8.991 -0.013 -0.306 333 HG23 ILE 43 3HG2 ILE 43 8.844 0.023 1.468 334 HD11 ILE 43 1HD1 ILE 43 11.091 -2.893 -0.332 335 HD12 ILE 43 2HD1 ILE 43 12.051 -3.152 1.144 336 HD13 ILE 43 3HD1 ILE 43 10.955 -4.427 0.560 337 H ARG 44 H ARG 44 7.707 -4.259 2.605 338 HA ARG 44 HA ARG 44 6.201 -5.873 0.712 339 HB2 ARG 44 1HB ARG 44 8.923 -6.209 1.270 340 HB3 ARG 44 2HB ARG 44 8.175 -7.364 2.355 341 HG2 ARG 44 1HG ARG 44 7.434 -7.204 -0.597 342 HG3 ARG 44 2HG ARG 44 8.755 -8.201 -0.023 343 HD2 ARG 44 1HD ARG 44 6.009 -8.446 1.252 344 HD3 ARG 44 2HD ARG 44 6.347 -9.261 -0.263 345 HE ARG 44 HE ARG 44 7.408 -9.966 2.369 346 HH11 ARG 44 2HH2 ARG 44 7.971 -10.183 -1.097 347 HH12 ARG 44 1HH2 ARG 44 8.974 -11.590 -0.975 348 HH21 ARG 44 2HH1 ARG 44 8.731 -11.822 2.531 349 HH22 ARG 44 1HH1 ARG 44 9.409 -12.529 1.102 350 H LEU 45 H LEU 45 4.566 -7.135 1.653 351 HA LEU 45 HA LEU 45 4.089 -6.669 4.457 352 HB2 LEU 45 1HB LEU 45 2.536 -7.912 2.203 353 HB3 LEU 45 2HB LEU 45 2.010 -8.075 3.867 354 HG LEU 45 HG LEU 45 1.615 -5.900 2.045 355 HD11 LEU 45 1HD1 LEU 45 -0.160 -5.407 3.411 356 HD12 LEU 45 2HD1 LEU 45 0.118 -7.112 3.838 357 HD13 LEU 45 3HD1 LEU 45 0.722 -5.819 4.902 358 HD21 LEU 45 1HD2 LEU 45 2.301 -3.993 3.340 359 HD22 LEU 45 2HD2 LEU 45 2.956 -5.040 4.622 360 HD23 LEU 45 3HD2 LEU 45 3.725 -5.011 3.017 361 H PHE 46 H PHE 46 2.884 -8.973 5.358 362 HA PHE 46 HA PHE 46 5.181 -10.579 5.871 363 HB2 PHE 46 1HB PHE 46 2.266 -10.350 6.661 364 HB3 PHE 46 2HB PHE 46 3.016 -11.909 6.940 365 HD1 PHE 46 1HD PHE 46 5.625 -11.413 7.919 366 HD2 PHE 46 2HD PHE 46 2.108 -9.142 8.608 367 HE1 PHE 46 1HE PHE 46 6.597 -10.561 10.071 368 HE2 PHE 46 2HE PHE 46 3.079 -8.290 10.760 369 HZ PHE 46 HZ PHE 46 5.313 -9.009 11.465 370 H GLY 47 H GLY 47 5.540 -11.201 3.527 371 HA2 GLY 47 1HA GLY 47 5.673 -13.168 2.305 372 HA3 GLY 47 2HA GLY 47 4.181 -13.741 3.023 373 H GLU 48 H GLU 48 5.066 -10.664 1.292 374 HA GLU 48 HA GLU 48 2.727 -11.142 -0.371 375 HB2 GLU 48 1HB GLU 48 3.813 -8.793 0.943 376 HB3 GLU 48 2HB GLU 48 3.743 -8.503 -0.784 377 HG2 GLU 48 1HG GLU 48 1.316 -9.485 -0.648 378 HG3 GLU 48 2HG GLU 48 1.462 -9.249 1.082 379 H THR 49 H THR 49 2.948 -10.290 -2.715 380 HA THR 49 HA THR 49 5.654 -10.935 -3.691 381 HB THR 49 HB THR 49 3.674 -12.594 -4.094 382 HG1 THR 49 1HG THR 49 4.966 -11.310 -6.389 383 HG21 THR 49 1HG2 THR 49 2.999 -10.308 -6.015 384 HG22 THR 49 2HG2 THR 49 2.431 -11.980 -6.237 385 HG23 THR 49 3HG2 THR 49 1.913 -11.044 -4.813 386 H ASP 50 H ASP 50 6.236 -9.917 -5.791 387 HA ASP 50 HA ASP 50 6.328 -7.293 -5.659 388 HB2 ASP 50 1HB ASP 50 6.417 -9.268 -7.868 389 HB3 ASP 50 2HB ASP 50 6.002 -7.655 -8.414 390 H TYR 51 H TYR 51 3.776 -9.204 -7.420 391 HA TYR 51 HA TYR 51 2.278 -7.074 -8.351 392 HB2 TYR 51 1HB TYR 51 2.239 -9.746 -8.613 393 HB3 TYR 51 2HB TYR 51 1.157 -9.698 -7.235 394 HD1 TYR 51 2HD TYR 51 1.446 -7.570 -10.320 395 HD2 TYR 51 1HD TYR 51 -1.018 -10.113 -7.920 396 HE1 TYR 51 2HE TYR 51 -0.520 -7.141 -11.873 397 HE2 TYR 51 1HE TYR 51 -2.977 -9.676 -9.481 398 HH TYR 51 HH TYR 51 -3.232 -7.243 -11.411 399 H ASP 52 H ASP 52 1.571 -9.121 -5.423 400 HA ASP 52 HA ASP 52 -0.522 -7.752 -4.491 401 HB2 ASP 52 1HB ASP 52 1.274 -9.680 -3.500 402 HB3 ASP 52 2HB ASP 52 1.383 -8.384 -2.325 403 H ALA 53 H ALA 53 2.968 -7.192 -3.570 404 HA ALA 53 HA ALA 53 2.607 -4.990 -1.977 405 HB1 ALA 53 1HB ALA 53 4.720 -6.147 -2.111 406 HB2 ALA 53 2HB ALA 53 4.875 -5.776 -3.845 407 HB3 ALA 53 3HB ALA 53 4.992 -4.470 -2.642 408 H PHE 54 H PHE 54 3.157 -5.129 -5.561 409 HA PHE 54 HA PHE 54 3.140 -2.398 -5.986 410 HB2 PHE 54 1HB PHE 54 3.809 -3.821 -7.790 411 HB3 PHE 54 2HB PHE 54 2.493 -4.944 -7.513 412 HD1 PHE 54 1HD PHE 54 2.825 -1.320 -8.392 413 HD2 PHE 54 2HD PHE 54 0.940 -5.035 -9.199 414 HE1 PHE 54 1HE PHE 54 1.524 -0.255 -10.255 415 HE2 PHE 54 2HE PHE 54 -0.362 -3.970 -11.062 416 HZ PHE 54 HZ PHE 54 -0.054 -1.592 -11.568 417 H GLN 55 H GLN 55 0.399 -4.771 -6.311 418 HA GLN 55 HA GLN 55 -1.497 -2.912 -6.976 419 HB2 GLN 55 1HB GLN 55 -1.764 -5.543 -5.459 420 HB3 GLN 55 2HB GLN 55 -3.136 -4.639 -6.070 421 HG2 GLN 55 1HG GLN 55 -0.891 -5.253 -7.990 422 HG3 GLN 55 2HG GLN 55 -1.950 -6.570 -7.525 423 HE21 GLN 55 1HE2 GLN 55 -1.768 -3.377 -8.968 424 HE22 GLN 55 2HE2 GLN 55 -3.256 -3.425 -9.852 425 H ARG 56 H ARG 56 -0.210 -3.893 -3.781 426 HA ARG 56 HA ARG 56 -2.153 -2.834 -2.197 427 HB2 ARG 56 1HB ARG 56 0.049 -4.165 -1.624 428 HB3 ARG 56 2HB ARG 56 0.803 -2.587 -1.509 429 HG2 ARG 56 1HG ARG 56 -0.196 -2.125 0.492 430 HG3 ARG 56 2HG ARG 56 -1.762 -2.689 -0.057 431 HD2 ARG 56 1HD ARG 56 0.488 -4.615 0.674 432 HD3 ARG 56 2HD ARG 56 -0.657 -4.026 1.862 433 HE ARG 56 HE ARG 56 -1.201 -5.943 -0.296 434 HH11 ARG 56 2HH2 ARG 56 -2.616 -3.682 2.000 435 HH12 ARG 56 1HH2 ARG 56 -4.175 -4.437 1.977 436 HH21 ARG 56 2HH1 ARG 56 -3.257 -6.939 -0.326 437 HH22 ARG 56 1HH1 ARG 56 -4.542 -6.301 0.645 438 H LEU 57 H LEU 57 0.966 -1.256 -3.242 439 HA LEU 57 HA LEU 57 0.332 1.247 -2.173 440 HB2 LEU 57 1HB LEU 57 2.587 0.653 -2.614 441 HB3 LEU 57 2HB LEU 57 2.254 0.330 -4.304 442 HG LEU 57 HG LEU 57 3.488 2.497 -3.683 443 HD11 LEU 57 1HD1 LEU 57 1.237 3.351 -5.365 444 HD12 LEU 57 2HD1 LEU 57 2.974 3.232 -5.734 445 HD13 LEU 57 3HD1 LEU 57 1.942 1.785 -5.831 446 HD21 LEU 57 1HD2 LEU 57 1.926 4.431 -3.257 447 HD22 LEU 57 2HD2 LEU 57 0.677 3.233 -2.845 448 HD23 LEU 57 3HD2 LEU 57 2.174 3.323 -1.887 449 H ARG 58 H ARG 58 0.000 -0.096 -5.524 450 HA ARG 58 HA ARG 58 -0.870 2.082 -6.792 451 HB2 ARG 58 1HB ARG 58 -0.896 -0.712 -7.250 452 HB3 ARG 58 2HB ARG 58 -2.566 -0.230 -7.473 453 HG2 ARG 58 1HG ARG 58 -0.641 1.635 -8.739 454 HG3 ARG 58 2HG ARG 58 -0.542 0.006 -9.379 455 HD2 ARG 58 1HD ARG 58 -3.241 1.367 -9.043 456 HD3 ARG 58 2HD ARG 58 -2.256 1.683 -10.457 457 HE ARG 58 HE ARG 58 -2.524 -1.172 -9.949 458 HH11 ARG 58 2HH2 ARG 58 -4.138 1.616 -11.365 459 HH12 ARG 58 1HH2 ARG 58 -5.095 0.668 -12.455 460 HH21 ARG 58 2HH1 ARG 58 -3.786 -2.422 -11.386 461 HH22 ARG 58 1HH1 ARG 58 -4.893 -1.644 -12.467 462 H LYS 59 H LYS 59 -2.504 0.303 -4.235 463 HA LYS 59 HA LYS 59 -5.059 1.552 -4.841 464 HB2 LYS 59 1HB LYS 59 -5.334 -0.702 -4.285 465 HB3 LYS 59 2HB LYS 59 -4.146 -0.645 -2.999 466 HG2 LYS 59 1HG LYS 59 -5.623 0.697 -1.589 467 HG3 LYS 59 2HG LYS 59 -6.758 0.929 -2.904 468 HD2 LYS 59 1HD LYS 59 -7.834 -0.983 -2.343 469 HD3 LYS 59 2HD LYS 59 -6.369 -1.907 -2.613 470 HE2 LYS 59 1HE LYS 59 -5.891 -0.659 -0.142 471 HE3 LYS 59 2HE LYS 59 -7.599 -1.048 -0.068 472 HZ1 LYS 59 1HZ LYS 59 -6.238 -2.864 0.692 473 HZ2 LYS 59 2HZ LYS 59 -7.055 -3.310 -0.651 474 HZ3 LYS 59 3HZ LYS 59 -5.464 -2.952 -0.744 475 H ILE 60 H ILE 60 -2.312 1.686 -2.563 476 HA ILE 60 HA ILE 60 -3.540 3.309 -0.648 477 HB ILE 60 HB ILE 60 -0.680 2.827 -1.449 478 HG12 ILE 60 1HG1 ILE 60 -2.321 1.954 0.948 479 HG13 ILE 60 2HG1 ILE 60 -1.906 0.952 -0.430 480 HG21 ILE 60 1HG2 ILE 60 -1.668 5.053 0.041 481 HG22 ILE 60 2HG2 ILE 60 -0.811 3.961 1.155 482 HG23 ILE 60 3HG2 ILE 60 0.016 4.584 -0.292 483 HD11 ILE 60 1HD1 ILE 60 -0.415 0.949 1.796 484 HD12 ILE 60 2HD1 ILE 60 0.328 0.761 0.190 485 HD13 ILE 60 3HD1 ILE 60 0.348 2.346 0.999 486 H GLU 61 H GLU 61 -1.663 4.070 -3.640 487 HA GLU 61 HA GLU 61 -1.543 6.777 -3.288 488 HB2 GLU 61 1HB GLU 61 -1.790 5.146 -5.851 489 HB3 GLU 61 2HB GLU 61 -1.383 6.850 -5.825 490 HG2 GLU 61 1HG GLU 61 0.204 4.796 -4.229 491 HG3 GLU 61 2HG GLU 61 0.585 5.162 -5.900 492 H ILE 62 H ILE 62 -4.217 4.707 -4.459 493 HA ILE 62 HA ILE 62 -5.802 6.783 -5.488 494 HB ILE 62 HB ILE 62 -6.577 4.075 -4.396 495 HG12 ILE 62 1HG1 ILE 62 -6.097 4.831 -7.284 496 HG13 ILE 62 2HG1 ILE 62 -4.831 4.180 -6.262 497 HG21 ILE 62 1HG2 ILE 62 -8.691 4.592 -4.814 498 HG22 ILE 62 2HG2 ILE 62 -8.201 6.250 -5.235 499 HG23 ILE 62 3HG2 ILE 62 -8.280 4.998 -6.498 500 HD11 ILE 62 1HD1 ILE 62 -6.686 2.323 -5.712 501 HD12 ILE 62 2HD1 ILE 62 -7.324 2.842 -7.290 502 HD13 ILE 62 3HD1 ILE 62 -5.666 2.206 -7.165 503 H LEU 63 H LEU 63 -5.676 5.162 -2.252 504 HA LEU 63 HA LEU 63 -7.741 6.764 -1.180 505 HB2 LEU 63 1HB LEU 63 -7.583 4.915 0.063 506 HB3 LEU 63 2HB LEU 63 -5.879 4.688 -0.280 507 HG LEU 63 HG LEU 63 -5.214 6.153 1.469 508 HD11 LEU 63 1HD1 LEU 63 -6.363 7.948 2.077 509 HD12 LEU 63 2HD1 LEU 63 -7.669 7.460 0.970 510 HD13 LEU 63 3HD1 LEU 63 -7.702 6.937 2.671 511 HD21 LEU 63 1HD2 LEU 63 -7.520 4.440 2.435 512 HD22 LEU 63 2HD2 LEU 63 -5.832 3.925 2.210 513 HD23 LEU 63 3HD2 LEU 63 -6.237 5.126 3.460 514 H THR 64 H THR 64 -4.169 6.763 -0.485 515 HA THR 64 HA THR 64 -3.973 8.986 1.002 516 HB THR 64 HB THR 64 -2.222 7.867 -1.232 517 HG1 THR 64 1HG THR 64 -2.041 8.097 1.688 518 HG21 THR 64 1HG2 THR 64 -0.475 9.342 -0.695 519 HG22 THR 64 2HG2 THR 64 -1.862 10.448 -0.544 520 HG23 THR 64 3HG2 THR 64 -1.149 9.710 0.911 521 HA PRO 65 HA PRO 65 -5.290 12.363 -1.299 522 HB2 PRO 65 1HB PRO 65 -4.146 14.401 0.118 523 HB3 PRO 65 2HB PRO 65 -5.629 13.607 0.609 524 HG2 PRO 65 1HG PRO 65 -2.912 13.318 1.736 525 HG3 PRO 65 2HG PRO 65 -4.451 12.882 2.454 526 HD2 PRO 65 1HD PRO 65 -2.539 11.097 1.278 527 HD3 PRO 65 2HD PRO 65 -4.126 10.677 1.890 528 H GLU 66 H GLU 66 -1.905 12.805 -0.364 529 HA GLU 66 HA GLU 66 -1.309 14.362 -2.559 530 HB2 GLU 66 1HB GLU 66 0.062 13.262 -0.319 531 HB3 GLU 66 2HB GLU 66 0.981 12.769 -1.726 532 HG2 GLU 66 1HG GLU 66 0.739 15.269 -2.497 533 HG3 GLU 66 2HG GLU 66 0.283 15.589 -0.836 534 H VAL 67 H VAL 67 -1.464 13.816 -4.689 535 HA VAL 67 HA VAL 67 -0.413 11.203 -5.468 536 HB VAL 67 HB VAL 67 -3.113 12.346 -6.197 537 HG11 VAL 67 1HG1 VAL 67 -1.440 10.230 -7.524 538 HG12 VAL 67 2HG1 VAL 67 -3.213 10.079 -7.514 539 HG13 VAL 67 3HG1 VAL 67 -2.446 11.506 -8.250 540 HG21 VAL 67 1HG2 VAL 67 -2.228 9.843 -4.736 541 HG22 VAL 67 2HG2 VAL 67 -3.234 11.177 -4.123 542 HG23 VAL 67 3HG2 VAL 67 -3.875 10.077 -5.367 543 H ASN 68 H ASN 68 1.475 12.270 -6.223 544 HA ASN 68 HA ASN 68 1.158 14.466 -8.005 545 HB2 ASN 68 1HB ASN 68 3.154 13.875 -6.350 546 HB3 ASN 68 2HB ASN 68 3.721 12.861 -7.662 547 HD21 ASN 68 1HD2 ASN 68 3.496 15.993 -6.387 548 HD22 ASN 68 2HD2 ASN 68 4.192 16.893 -7.694 549 H LYS 69 H LYS 69 0.203 13.835 -9.988 550 HA LYS 69 HA LYS 69 1.271 11.425 -11.260 551 HB2 LYS 69 1HB LYS 69 -1.151 11.480 -10.924 552 HB3 LYS 69 2HB LYS 69 -1.267 13.000 -11.786 553 HG2 LYS 69 1HG LYS 69 -1.000 12.013 -13.855 554 HG3 LYS 69 2HG LYS 69 0.156 10.835 -13.267 555 HD2 LYS 69 1HD LYS 69 -1.514 9.299 -13.341 556 HD3 LYS 69 2HD LYS 69 -2.223 10.110 -11.959 557 HE2 LYS 69 1HE LYS 69 -3.975 10.078 -13.572 558 HE3 LYS 69 2HE LYS 69 -3.349 11.713 -13.657 559 HZ1 LYS 69 1HZ LYS 69 -2.420 11.325 -15.660 560 HZ2 LYS 69 2HZ LYS 69 -2.136 9.740 -15.391 561 HZ3 LYS 69 3HZ LYS 69 -3.641 10.246 -15.773 562 H GLY 70 H GLY 70 2.081 11.486 -13.413 563 HA2 GLY 70 1HA GLY 70 3.243 14.068 -14.103 564 HA3 GLY 70 2HA GLY 70 3.647 12.499 -14.769 565 H SER 71 H SER 71 2.801 15.223 -15.988 566 HA SER 71 HA SER 71 1.722 15.906 -17.742 567 HB2 SER 71 1HB SER 71 2.094 13.117 -18.230 568 HB3 SER 71 2HB SER 71 0.464 13.490 -18.754 569 HG SER 71 HG SER 71 1.710 15.483 -19.780 570 H GLY 72 H GLY 72 -0.603 16.014 -18.803 571 HA2 GLY 72 1HA GLY 72 -2.545 15.812 -16.596 572 HA3 GLY 72 2HA GLY 72 -2.617 16.923 -17.949 573 HA PRO 73 HA PRO 73 -5.296 13.475 -19.088 574 HB2 PRO 73 1HB PRO 73 -7.451 14.961 -19.873 575 HB3 PRO 73 2HB PRO 73 -7.271 14.316 -18.254 576 HG2 PRO 73 1HG PRO 73 -6.921 17.098 -19.189 577 HG3 PRO 73 2HG PRO 73 -7.165 16.511 -17.556 578 HD2 PRO 73 1HD PRO 73 -4.691 17.387 -18.714 579 HD3 PRO 73 2HD PRO 73 -4.914 16.692 -17.121 580 H SER 74 H SER 74 -5.950 12.593 -21.113 581 HA SER 74 HA SER 74 -5.697 12.305 -23.248 582 HB2 SER 74 1HB SER 74 -6.372 15.160 -23.018 583 HB3 SER 74 2HB SER 74 -5.454 14.824 -24.472 584 HG SER 74 HG SER 74 -7.559 13.015 -23.870 585 H SER 75 H SER 75 -3.701 11.357 -23.603 586 HA SER 75 HA SER 75 -1.428 13.178 -23.688 587 HB2 SER 75 1HB SER 75 -1.654 10.211 -23.076 588 HB3 SER 75 2HB SER 75 -0.115 10.932 -23.505 589 HG SER 75 HG SER 75 -0.370 10.917 -21.213 590 H GLY 76 H GLY 76 -2.701 10.121 -25.211 591 HA2 GLY 76 1HA GLY 76 -2.875 9.573 -27.405 592 HA3 GLY 76 2HA GLY 76 -2.297 11.166 -27.855 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -26.935 24.001 24.271 2 HA2 GLY 1 1HA GLY 1 -28.485 23.691 21.826 3 HA3 GLY 1 2HA GLY 1 -26.843 24.281 21.987 4 H SER 2 H SER 2 -27.147 22.547 19.966 5 HA SER 2 HA SER 2 -25.474 20.441 20.724 6 HB2 SER 2 1HB SER 2 -27.780 19.618 21.521 7 HB3 SER 2 2HB SER 2 -28.242 19.541 19.832 8 HG SER 2 HG SER 2 -26.453 18.055 19.470 9 H SER 3 H SER 3 -28.132 21.172 18.338 10 HA SER 3 HA SER 3 -27.132 20.077 16.143 11 HB2 SER 3 1HB SER 3 -28.375 21.712 14.855 12 HB3 SER 3 2HB SER 3 -29.263 21.402 16.333 13 HG SER 3 HG SER 3 -29.099 23.694 15.820 14 H GLY 4 H GLY 4 -25.866 20.934 14.257 15 HA2 GLY 4 1HA GLY 4 -24.430 23.098 13.880 16 HA3 GLY 4 2HA GLY 4 -23.527 22.410 15.215 17 H SER 5 H SER 5 -24.822 21.653 11.925 18 HA SER 5 HA SER 5 -22.415 20.664 11.037 19 HB2 SER 5 1HB SER 5 -24.089 18.687 12.457 20 HB3 SER 5 2HB SER 5 -23.687 18.184 10.827 21 HG SER 5 HG SER 5 -21.990 17.464 12.092 22 H SER 6 H SER 6 -22.622 21.227 8.904 23 HA SER 6 HA SER 6 -24.547 20.102 7.277 24 HB2 SER 6 1HB SER 6 -26.247 21.500 8.160 25 HB3 SER 6 2HB SER 6 -25.177 22.880 8.304 26 HG SER 6 HG SER 6 -26.081 23.465 6.443 27 H GLY 7 H GLY 7 -23.613 20.108 5.251 28 HA2 GLY 7 1HA GLY 7 -22.580 21.059 3.419 29 HA3 GLY 7 2HA GLY 7 -22.080 22.433 4.385 30 H THR 8 H THR 8 -20.679 20.246 2.584 31 HA THR 8 HA THR 8 -18.211 20.317 3.851 32 HB THR 8 HB THR 8 -18.871 18.810 5.556 33 HG1 THR 8 1HG THR 8 -17.187 17.616 4.716 34 HG21 THR 8 1HG2 THR 8 -21.048 18.033 5.090 35 HG22 THR 8 2HG2 THR 8 -20.653 17.652 3.397 36 HG23 THR 8 3HG2 THR 8 -20.091 16.583 4.705 37 H SER 9 H SER 9 -20.468 18.589 1.678 38 HA SER 9 HA SER 9 -18.779 19.016 -0.486 39 HB2 SER 9 1HB SER 9 -17.896 16.857 -0.968 40 HB3 SER 9 2HB SER 9 -17.532 17.129 0.725 41 HG SER 9 HG SER 9 -18.537 14.975 0.021 42 H SER 10 H SER 10 -19.688 17.827 -2.512 43 HA SER 10 HA SER 10 -22.018 16.407 -2.429 44 HB2 SER 10 1HB SER 10 -23.226 18.244 -1.491 45 HB3 SER 10 2HB SER 10 -22.436 19.412 -2.532 46 HG SER 10 HG SER 10 -24.646 17.745 -3.045 47 H ASN 11 H ASN 11 -21.659 15.341 -4.341 48 HA ASN 11 HA ASN 11 -21.610 16.836 -6.738 49 HB2 ASN 11 1HB ASN 11 -19.067 15.873 -5.548 50 HB3 ASN 11 2HB ASN 11 -19.311 15.279 -7.179 51 HD21 ASN 11 1HD2 ASN 11 -17.676 17.470 -5.686 52 HD22 ASN 11 2HD2 ASN 11 -17.774 18.850 -6.728 53 HA PRO 12 HA PRO 12 -23.301 12.686 -7.128 54 HB2 PRO 12 1HB PRO 12 -25.318 13.320 -8.859 55 HB3 PRO 12 2HB PRO 12 -25.504 13.355 -7.117 56 HG2 PRO 12 1HG PRO 12 -25.220 15.619 -8.997 57 HG3 PRO 12 2HG PRO 12 -25.821 15.628 -7.351 58 HD2 PRO 12 1HD PRO 12 -23.239 16.504 -8.239 59 HD3 PRO 12 2HD PRO 12 -23.799 16.404 -6.582 60 H VAL 13 H VAL 13 -22.903 14.880 -9.859 61 HA VAL 13 HA VAL 13 -22.168 14.511 -11.917 62 HB VAL 13 HB VAL 13 -20.139 14.223 -10.431 63 HG11 VAL 13 1HG1 VAL 13 -19.177 11.792 -10.726 64 HG12 VAL 13 2HG1 VAL 13 -20.289 12.166 -9.387 65 HG13 VAL 13 3HG1 VAL 13 -20.896 11.346 -10.846 66 HG21 VAL 13 1HG2 VAL 13 -19.639 12.627 -12.900 67 HG22 VAL 13 2HG2 VAL 13 -20.364 14.239 -13.104 68 HG23 VAL 13 3HG2 VAL 13 -18.800 14.066 -12.272 69 H LEU 14 H LEU 14 -21.521 12.578 -13.588 70 HA LEU 14 HA LEU 14 -23.367 10.361 -13.106 71 HB2 LEU 14 1HB LEU 14 -24.037 12.500 -14.690 72 HB3 LEU 14 2HB LEU 14 -23.359 11.382 -15.856 73 HG LEU 14 HG LEU 14 -25.660 10.944 -15.854 74 HD11 LEU 14 1HD1 LEU 14 -24.778 8.837 -15.952 75 HD12 LEU 14 2HD1 LEU 14 -24.044 8.942 -14.333 76 HD13 LEU 14 3HD1 LEU 14 -25.796 8.677 -14.501 77 HD21 LEU 14 1HD2 LEU 14 -27.043 11.423 -14.184 78 HD22 LEU 14 2HD2 LEU 14 -26.211 10.297 -13.085 79 HD23 LEU 14 3HD2 LEU 14 -25.628 11.970 -13.254 80 H GLU 15 H GLU 15 -22.873 9.529 -15.983 81 HA GLU 15 HA GLU 15 -21.576 8.001 -16.869 82 HB2 GLU 15 1HB GLU 15 -19.956 10.482 -16.591 83 HB3 GLU 15 2HB GLU 15 -19.025 9.043 -16.957 84 HG2 GLU 15 1HG GLU 15 -21.502 9.248 -18.567 85 HG3 GLU 15 2HG GLU 15 -20.418 10.603 -18.813 86 H LEU 16 H LEU 16 -21.959 6.671 -14.806 87 HA LEU 16 HA LEU 16 -19.352 6.144 -13.560 88 HB2 LEU 16 1HB LEU 16 -21.966 5.726 -12.143 89 HB3 LEU 16 2HB LEU 16 -20.346 5.786 -11.475 90 HG LEU 16 HG LEU 16 -21.364 8.256 -12.806 91 HD11 LEU 16 1HD1 LEU 16 -23.164 8.527 -11.544 92 HD12 LEU 16 2HD1 LEU 16 -22.894 6.936 -10.793 93 HD13 LEU 16 3HD1 LEU 16 -22.163 8.393 -10.078 94 HD21 LEU 16 1HD2 LEU 16 -19.537 7.568 -10.517 95 HD22 LEU 16 2HD2 LEU 16 -19.203 8.507 -11.992 96 HD23 LEU 16 3HD2 LEU 16 -20.205 9.208 -10.698 97 H GLU 17 H GLU 17 -21.047 3.896 -12.139 98 HA GLU 17 HA GLU 17 -21.036 1.719 -12.427 99 HB2 GLU 17 1HB GLU 17 -22.747 2.644 -14.769 100 HB3 GLU 17 2HB GLU 17 -22.640 0.962 -14.289 101 HG2 GLU 17 1HG GLU 17 -23.933 1.275 -12.419 102 HG3 GLU 17 2HG GLU 17 -23.165 2.799 -12.018 103 H LEU 18 H LEU 18 -18.698 1.559 -12.860 104 HA LEU 18 HA LEU 18 -18.163 0.067 -15.165 105 HB2 LEU 18 1HB LEU 18 -17.996 2.902 -15.523 106 HB3 LEU 18 2HB LEU 18 -16.381 2.228 -15.606 107 HG LEU 18 HG LEU 18 -18.702 1.173 -17.238 108 HD11 LEU 18 1HD1 LEU 18 -16.642 3.267 -17.976 109 HD12 LEU 18 2HD1 LEU 18 -17.698 2.431 -19.140 110 HD13 LEU 18 3HD1 LEU 18 -18.407 3.468 -17.879 111 HD21 LEU 18 1HD2 LEU 18 -16.885 0.215 -18.639 112 HD22 LEU 18 2HD2 LEU 18 -15.707 0.760 -17.421 113 HD23 LEU 18 3HD2 LEU 18 -16.942 -0.446 -16.988 114 H ALA 19 H ALA 19 -16.150 -1.001 -14.981 115 HA ALA 19 HA ALA 19 -14.285 -0.109 -12.984 116 HB1 ALA 19 1HB ALA 19 -14.800 -2.793 -12.228 117 HB2 ALA 19 2HB ALA 19 -15.102 -1.319 -11.277 118 HB3 ALA 19 3HB ALA 19 -16.385 -1.987 -12.314 119 H GLU 20 H GLU 20 -12.716 -2.345 -12.718 120 HA GLU 20 HA GLU 20 -11.414 -3.786 -13.736 121 HB2 GLU 20 1HB GLU 20 -13.630 -4.165 -15.240 122 HB3 GLU 20 2HB GLU 20 -12.599 -3.472 -16.477 123 HG2 GLU 20 1HG GLU 20 -11.992 -5.699 -16.708 124 HG3 GLU 20 2HG GLU 20 -10.811 -5.218 -15.506 125 H GLU 21 H GLU 21 -10.400 -1.392 -13.271 126 HA GLU 21 HA GLU 21 -9.420 -0.342 -15.788 127 HB2 GLU 21 1HB GLU 21 -8.612 1.571 -14.402 128 HB3 GLU 21 2HB GLU 21 -10.338 1.312 -14.242 129 HG2 GLU 21 1HG GLU 21 -10.144 0.413 -12.064 130 HG3 GLU 21 2HG GLU 21 -8.470 -0.053 -12.291 131 H LYS 22 H LYS 22 -8.476 -2.928 -15.073 132 HA LYS 22 HA LYS 22 -6.084 -2.842 -13.611 133 HB2 LYS 22 1HB LYS 22 -7.687 -4.776 -14.936 134 HB3 LYS 22 2HB LYS 22 -6.071 -4.926 -15.597 135 HG2 LYS 22 1HG LYS 22 -5.176 -4.944 -13.206 136 HG3 LYS 22 2HG LYS 22 -6.835 -4.993 -12.642 137 HD2 LYS 22 1HD LYS 22 -7.137 -7.193 -13.274 138 HD3 LYS 22 2HD LYS 22 -6.164 -7.026 -14.722 139 HE2 LYS 22 1HE LYS 22 -4.103 -6.900 -13.166 140 HE3 LYS 22 2HE LYS 22 -5.167 -7.388 -11.862 141 HZ1 LYS 22 1HZ LYS 22 -5.064 -8.935 -14.337 142 HZ2 LYS 22 2HZ LYS 22 -3.952 -9.171 -13.164 143 HZ3 LYS 22 3HZ LYS 22 -5.536 -9.419 -12.850 144 H LEU 23 H LEU 23 -3.895 -2.728 -14.279 145 HA LEU 23 HA LEU 23 -3.477 -1.921 -17.055 146 HB2 LEU 23 1HB LEU 23 -2.774 -0.339 -14.597 147 HB3 LEU 23 2HB LEU 23 -1.859 -0.168 -16.081 148 HG LEU 23 HG LEU 23 -4.618 0.054 -16.763 149 HD11 LEU 23 1HD1 LEU 23 -5.522 1.683 -15.375 150 HD12 LEU 23 2HD1 LEU 23 -4.744 0.564 -14.230 151 HD13 LEU 23 3HD1 LEU 23 -3.947 2.097 -14.658 152 HD21 LEU 23 1HD2 LEU 23 -3.956 2.011 -17.808 153 HD22 LEU 23 2HD2 LEU 23 -2.739 2.391 -16.566 154 HD23 LEU 23 3HD2 LEU 23 -2.439 1.084 -17.736 155 HA PRO 24 HA PRO 24 -0.046 -4.504 -16.652 156 HB2 PRO 24 1HB PRO 24 1.624 -3.551 -18.594 157 HB3 PRO 24 2HB PRO 24 0.258 -4.594 -18.933 158 HG2 PRO 24 1HG PRO 24 0.528 -1.687 -19.392 159 HG3 PRO 24 2HG PRO 24 -0.624 -2.806 -20.093 160 HD2 PRO 24 1HD PRO 24 -1.125 -0.919 -17.992 161 HD3 PRO 24 2HD PRO 24 -2.243 -2.118 -18.613 162 H MET 25 H MET 25 0.303 -3.735 -14.435 163 HA MET 25 HA MET 25 1.478 -2.653 -12.910 164 HB2 MET 25 1HB MET 25 3.043 -4.530 -14.409 165 HB3 MET 25 2HB MET 25 4.114 -3.180 -14.094 166 HG2 MET 25 1HG MET 25 3.997 -3.444 -11.754 167 HG3 MET 25 2HG MET 25 2.431 -4.229 -11.812 168 HE1 MET 25 1HE MET 25 4.712 -6.718 -10.191 169 HE2 MET 25 2HE MET 25 5.963 -5.570 -10.723 170 HE3 MET 25 3HE MET 25 4.420 -4.966 -10.074 171 H THR 26 H THR 26 0.930 -0.426 -13.312 172 HA THR 26 HA THR 26 2.414 1.113 -15.200 173 HB THR 26 HB THR 26 1.100 2.973 -14.156 174 HG1 THR 26 1HG THR 26 0.511 2.584 -12.059 175 HG21 THR 26 1HG2 THR 26 -0.051 1.160 -15.689 176 HG22 THR 26 2HG2 THR 26 -0.741 0.550 -14.166 177 HG23 THR 26 3HG2 THR 26 -1.092 2.211 -14.701 178 H LEU 27 H LEU 27 2.624 0.512 -11.666 179 HA LEU 27 HA LEU 27 5.054 2.156 -11.673 180 HB2 LEU 27 1HB LEU 27 3.630 1.235 -9.203 181 HB3 LEU 27 2HB LEU 27 4.714 2.595 -9.418 182 HG LEU 27 HG LEU 27 1.964 2.468 -10.675 183 HD11 LEU 27 1HD1 LEU 27 1.947 4.325 -8.558 184 HD12 LEU 27 2HD1 LEU 27 1.053 2.790 -8.679 185 HD13 LEU 27 3HD1 LEU 27 2.654 2.829 -7.901 186 HD21 LEU 27 1HD2 LEU 27 3.503 4.969 -10.047 187 HD22 LEU 27 2HD2 LEU 27 3.864 4.036 -11.519 188 HD23 LEU 27 3HD2 LEU 27 2.229 4.688 -11.258 189 H SER 28 H SER 28 7.021 1.215 -11.339 190 HA SER 28 HA SER 28 7.027 -1.640 -11.268 191 HB2 SER 28 1HB SER 28 9.199 0.474 -11.507 192 HB3 SER 28 2HB SER 28 9.587 -1.228 -11.360 193 HG SER 28 HG SER 28 9.251 -1.377 -13.461 194 H ARG 29 H ARG 29 8.758 -2.730 -9.745 195 HA ARG 29 HA ARG 29 7.972 -2.721 -7.257 196 HB2 ARG 29 1HB ARG 29 10.655 -3.091 -6.787 197 HB3 ARG 29 2HB ARG 29 9.615 -4.316 -7.488 198 HG2 ARG 29 1HG ARG 29 10.486 -4.047 -9.617 199 HG3 ARG 29 2HG ARG 29 10.727 -2.322 -9.422 200 HD2 ARG 29 1HD ARG 29 12.916 -2.656 -8.921 201 HD3 ARG 29 2HD ARG 29 12.475 -3.660 -7.554 202 HE ARG 29 HE ARG 29 12.154 -5.207 -9.939 203 HH11 ARG 29 2HH2 ARG 29 14.705 -3.776 -7.983 204 HH12 ARG 29 1HH2 ARG 29 15.892 -4.950 -8.443 205 HH21 ARG 29 2HH1 ARG 29 13.720 -6.756 -10.546 206 HH22 ARG 29 1HH1 ARG 29 15.328 -6.657 -9.911 207 H GLN 30 H GLN 30 10.882 -0.776 -8.293 208 HA GLN 30 HA GLN 30 11.201 0.548 -5.927 209 HB2 GLN 30 1HB GLN 30 12.330 0.610 -8.529 210 HB3 GLN 30 2HB GLN 30 11.857 2.265 -8.197 211 HG2 GLN 30 1HG GLN 30 13.034 2.042 -5.927 212 HG3 GLN 30 2HG GLN 30 13.655 0.498 -6.477 213 HE21 GLN 30 1HE2 GLN 30 14.307 3.696 -6.196 214 HE22 GLN 30 2HE2 GLN 30 15.521 3.908 -7.413 215 H GLU 31 H GLU 31 9.231 1.460 -8.823 216 HA GLU 31 HA GLU 31 8.472 3.942 -7.929 217 HB2 GLU 31 1HB GLU 31 8.128 2.821 -10.235 218 HB3 GLU 31 2HB GLU 31 6.689 2.089 -9.554 219 HG2 GLU 31 1HG GLU 31 5.984 4.125 -10.648 220 HG3 GLU 31 2HG GLU 31 5.876 4.414 -8.923 221 H VAL 32 H VAL 32 7.514 0.735 -6.872 222 HA VAL 32 HA VAL 32 5.152 1.787 -5.530 223 HB VAL 32 HB VAL 32 6.245 -0.931 -6.167 224 HG11 VAL 32 1HG1 VAL 32 5.660 -0.967 -3.757 225 HG12 VAL 32 2HG1 VAL 32 4.021 -0.406 -4.166 226 HG13 VAL 32 3HG1 VAL 32 4.587 -1.994 -4.739 227 HG21 VAL 32 1HG2 VAL 32 4.332 -1.206 -7.425 228 HG22 VAL 32 2HG2 VAL 32 3.378 -0.084 -6.425 229 HG23 VAL 32 3HG2 VAL 32 4.576 0.551 -7.577 230 H ILE 33 H ILE 33 8.477 0.643 -4.962 231 HA ILE 33 HA ILE 33 8.196 0.389 -2.160 232 HB ILE 33 HB ILE 33 10.527 0.608 -4.047 233 HG12 ILE 33 1HG1 ILE 33 9.904 -1.714 -2.250 234 HG13 ILE 33 2HG1 ILE 33 8.949 -1.479 -3.701 235 HG21 ILE 33 1HG2 ILE 33 11.497 -0.285 -1.571 236 HG22 ILE 33 2HG2 ILE 33 11.860 1.252 -2.393 237 HG23 ILE 33 3HG2 ILE 33 10.532 1.167 -1.211 238 HD11 ILE 33 1HD1 ILE 33 11.050 -1.409 -5.065 239 HD12 ILE 33 2HD1 ILE 33 11.992 -1.707 -3.585 240 HD13 ILE 33 3HD1 ILE 33 10.864 -2.946 -4.186 241 H ARG 34 H ARG 34 9.039 3.056 -4.399 242 HA ARG 34 HA ARG 34 10.073 4.799 -2.592 243 HB2 ARG 34 1HB ARG 34 8.679 4.995 -5.224 244 HB3 ARG 34 2HB ARG 34 8.639 6.470 -4.279 245 HG2 ARG 34 1HG ARG 34 11.310 5.369 -4.117 246 HG3 ARG 34 2HG ARG 34 10.832 5.394 -5.803 247 HD2 ARG 34 1HD ARG 34 11.409 7.600 -5.794 248 HD3 ARG 34 2HD ARG 34 9.932 7.879 -4.893 249 HE ARG 34 HE ARG 34 11.730 7.132 -2.924 250 HH11 ARG 34 2HH2 ARG 34 11.767 9.577 -5.454 251 HH12 ARG 34 1HH2 ARG 34 12.776 10.667 -4.563 252 HH21 ARG 34 2HH1 ARG 34 13.061 8.569 -1.748 253 HH22 ARG 34 1HH1 ARG 34 13.517 10.090 -2.441 254 H ARG 35 H ARG 35 6.694 5.132 -3.906 255 HA ARG 35 HA ARG 35 5.736 6.831 -2.115 256 HB2 ARG 35 1HB ARG 35 4.390 4.444 -3.447 257 HB3 ARG 35 2HB ARG 35 3.469 5.555 -2.454 258 HG2 ARG 35 1HG ARG 35 3.460 7.161 -4.072 259 HG3 ARG 35 2HG ARG 35 5.182 7.000 -4.356 260 HD2 ARG 35 1HD ARG 35 4.881 5.215 -5.926 261 HD3 ARG 35 2HD ARG 35 3.248 4.888 -5.380 262 HE ARG 35 HE ARG 35 2.454 6.630 -6.742 263 HH11 ARG 35 2HH2 ARG 35 5.951 6.873 -6.442 264 HH12 ARG 35 1HH2 ARG 35 6.098 8.103 -7.652 265 HH21 ARG 35 2HH1 ARG 35 2.646 8.253 -8.339 266 HH22 ARG 35 1HH1 ARG 35 4.205 8.894 -8.738 267 H LEU 36 H LEU 36 5.291 3.221 -1.811 268 HA LEU 36 HA LEU 36 4.170 3.061 0.611 269 HB2 LEU 36 1HB LEU 36 6.305 1.344 -0.640 270 HB3 LEU 36 2HB LEU 36 5.530 0.920 0.873 271 HG LEU 36 HG LEU 36 4.269 1.145 -1.863 272 HD11 LEU 36 1HD1 LEU 36 3.516 -1.238 -0.650 273 HD12 LEU 36 2HD1 LEU 36 4.768 -1.023 -1.898 274 HD13 LEU 36 3HD1 LEU 36 5.219 -1.028 -0.176 275 HD21 LEU 36 1HD2 LEU 36 2.911 1.018 0.833 276 HD22 LEU 36 2HD2 LEU 36 2.667 2.195 -0.479 277 HD23 LEU 36 3HD2 LEU 36 2.118 0.514 -0.680 278 H ARG 37 H ARG 37 7.782 2.893 0.206 279 HA ARG 37 HA ARG 37 8.426 3.069 2.792 280 HB2 ARG 37 1HB ARG 37 9.746 3.991 0.247 281 HB3 ARG 37 2HB ARG 37 10.465 4.543 1.747 282 HG2 ARG 37 1HG ARG 37 10.188 1.947 2.419 283 HG3 ARG 37 2HG ARG 37 10.213 1.734 0.680 284 HD2 ARG 37 1HD ARG 37 12.386 2.881 0.511 285 HD3 ARG 37 2HD ARG 37 12.342 3.302 2.212 286 HE ARG 37 HE ARG 37 13.086 0.721 1.085 287 HH11 ARG 37 2HH2 ARG 37 11.726 2.286 3.928 288 HH12 ARG 37 1HH2 ARG 37 12.200 1.019 5.010 289 HH21 ARG 37 2HH1 ARG 37 13.711 -0.951 2.512 290 HH22 ARG 37 1HH1 ARG 37 13.337 -0.835 4.199 291 H GLU 38 H GLU 38 7.927 5.852 0.504 292 HA GLU 38 HA GLU 38 8.443 7.825 2.367 293 HB2 GLU 38 1HB GLU 38 7.054 7.674 -0.290 294 HB3 GLU 38 2HB GLU 38 6.771 9.111 0.671 295 HG2 GLU 38 1HG GLU 38 9.624 8.213 0.471 296 HG3 GLU 38 2HG GLU 38 8.908 8.819 -1.009 297 H ARG 39 H ARG 39 5.714 5.686 1.968 298 HA ARG 39 HA ARG 39 3.963 7.469 3.383 299 HB2 ARG 39 1HB ARG 39 3.539 4.608 2.378 300 HB3 ARG 39 2HB ARG 39 2.284 5.612 3.076 301 HG2 ARG 39 1HG ARG 39 3.699 7.032 0.928 302 HG3 ARG 39 2HG ARG 39 3.051 5.508 0.355 303 HD2 ARG 39 1HD ARG 39 0.926 6.318 0.378 304 HD3 ARG 39 2HD ARG 39 1.076 6.830 2.047 305 HE ARG 39 HE ARG 39 1.516 8.491 -0.345 306 HH11 ARG 39 2HH2 ARG 39 2.003 8.179 3.126 307 HH12 ARG 39 1HH2 ARG 39 2.228 9.878 3.376 308 HH21 ARG 39 2HH1 ARG 39 1.812 10.732 -0.016 309 HH22 ARG 39 1HH1 ARG 39 2.119 11.340 1.577 310 H GLY 40 H GLY 40 6.213 4.862 3.970 311 HA2 GLY 40 1HA GLY 40 6.993 4.314 6.090 312 HA3 GLY 40 2HA GLY 40 5.495 4.874 6.807 313 H GLU 41 H GLU 41 5.145 2.938 3.912 314 HA GLU 41 HA GLU 41 4.059 0.835 5.562 315 HB2 GLU 41 1HB GLU 41 3.967 0.982 2.528 316 HB3 GLU 41 2HB GLU 41 2.891 0.103 3.596 317 HG2 GLU 41 1HG GLU 41 3.140 3.141 3.675 318 HG3 GLU 41 2HG GLU 41 1.997 2.323 2.629 319 HA PRO 42 HA PRO 42 7.289 -1.934 4.712 320 HB2 PRO 42 1HB PRO 42 6.040 -4.365 4.728 321 HB3 PRO 42 2HB PRO 42 6.469 -3.499 6.190 322 HG2 PRO 42 1HG PRO 42 3.808 -3.832 4.948 323 HG3 PRO 42 2HG PRO 42 4.202 -3.354 6.587 324 HD2 PRO 42 1HD PRO 42 3.331 -1.637 4.460 325 HD3 PRO 42 2HD PRO 42 3.837 -1.145 6.064 326 H ILE 43 H ILE 43 8.483 -1.985 2.926 327 HA ILE 43 HA ILE 43 7.330 -1.980 0.421 328 HB ILE 43 HB ILE 43 9.560 -2.414 -0.411 329 HG12 ILE 43 1HG1 ILE 43 10.398 -2.991 2.444 330 HG13 ILE 43 2HG1 ILE 43 10.092 -4.234 1.247 331 HG21 ILE 43 1HG2 ILE 43 9.425 -0.191 0.096 332 HG22 ILE 43 2HG2 ILE 43 9.128 -0.482 1.826 333 HG23 ILE 43 3HG2 ILE 43 10.769 -0.665 1.162 334 HD11 ILE 43 1HD1 ILE 43 12.157 -3.952 0.369 335 HD12 ILE 43 2HD1 ILE 43 11.826 -2.227 0.077 336 HD13 ILE 43 3HD1 ILE 43 12.498 -2.752 1.639 337 H ARG 44 H ARG 44 8.339 -4.699 2.528 338 HA ARG 44 HA ARG 44 6.879 -6.413 0.708 339 HB2 ARG 44 1HB ARG 44 9.359 -6.654 0.258 340 HB3 ARG 44 2HB ARG 44 9.593 -7.133 1.927 341 HG2 ARG 44 1HG ARG 44 9.448 -9.182 0.693 342 HG3 ARG 44 2HG ARG 44 7.908 -9.026 1.516 343 HD2 ARG 44 1HD ARG 44 6.742 -8.809 -0.446 344 HD3 ARG 44 2HD ARG 44 7.919 -7.709 -1.136 345 HE ARG 44 HE ARG 44 8.843 -10.497 -0.952 346 HH11 ARG 44 2HH2 ARG 44 7.216 -8.091 -2.940 347 HH12 ARG 44 1HH2 ARG 44 7.532 -8.921 -4.428 348 HH21 ARG 44 2HH1 ARG 44 9.260 -11.591 -2.914 349 HH22 ARG 44 1HH1 ARG 44 8.702 -10.925 -4.413 350 H LEU 45 H LEU 45 5.213 -7.209 1.956 351 HA LEU 45 HA LEU 45 5.386 -7.231 4.786 352 HB2 LEU 45 1HB LEU 45 3.379 -7.922 2.709 353 HB3 LEU 45 2HB LEU 45 3.181 -8.664 4.284 354 HG LEU 45 HG LEU 45 3.625 -5.709 4.178 355 HD11 LEU 45 1HD1 LEU 45 0.846 -6.016 4.086 356 HD12 LEU 45 2HD1 LEU 45 1.900 -5.312 2.837 357 HD13 LEU 45 3HD1 LEU 45 1.472 -7.038 2.770 358 HD21 LEU 45 1HD2 LEU 45 1.574 -6.287 5.936 359 HD22 LEU 45 2HD2 LEU 45 2.636 -7.709 6.064 360 HD23 LEU 45 3HD2 LEU 45 3.293 -6.080 6.351 361 H PHE 46 H PHE 46 4.238 -9.607 5.625 362 HA PHE 46 HA PHE 46 6.517 -11.348 5.401 363 HB2 PHE 46 1HB PHE 46 5.235 -10.788 7.540 364 HB3 PHE 46 2HB PHE 46 3.812 -11.547 6.857 365 HD1 PHE 46 2HD PHE 46 7.374 -12.338 7.642 366 HD2 PHE 46 1HD PHE 46 3.386 -13.761 7.366 367 HE1 PHE 46 2HE PHE 46 8.097 -14.547 8.590 368 HE2 PHE 46 1HE PHE 46 4.109 -15.970 8.313 369 HZ PHE 46 HZ PHE 46 6.456 -16.336 8.914 370 H GLY 47 H GLY 47 6.106 -11.732 3.001 371 HA2 GLY 47 1HA GLY 47 5.732 -13.787 1.830 372 HA3 GLY 47 2HA GLY 47 4.236 -14.002 2.717 373 H GLU 48 H GLU 48 5.675 -11.165 0.948 374 HA GLU 48 HA GLU 48 3.176 -11.086 -0.556 375 HB2 GLU 48 1HB GLU 48 4.661 -9.010 0.905 376 HB3 GLU 48 2HB GLU 48 4.348 -8.540 -0.753 377 HG2 GLU 48 1HG GLU 48 1.900 -9.271 -0.361 378 HG3 GLU 48 2HG GLU 48 2.301 -9.387 1.341 379 H THR 49 H THR 49 3.464 -9.929 -2.780 380 HA THR 49 HA THR 49 6.110 -10.554 -3.897 381 HB THR 49 HB THR 49 4.397 -12.403 -4.306 382 HG1 THR 49 1HG THR 49 4.965 -12.323 -6.616 383 HG21 THR 49 1HG2 THR 49 2.358 -10.975 -4.588 384 HG22 THR 49 2HG2 THR 49 3.110 -10.198 -6.001 385 HG23 THR 49 3HG2 THR 49 2.683 -11.925 -6.058 386 H ASP 50 H ASP 50 6.458 -9.493 -6.064 387 HA ASP 50 HA ASP 50 6.413 -6.868 -5.879 388 HB2 ASP 50 1HB ASP 50 6.101 -6.975 -8.540 389 HB3 ASP 50 2HB ASP 50 7.555 -7.572 -7.766 390 H TYR 51 H TYR 51 3.805 -8.943 -7.322 391 HA TYR 51 HA TYR 51 2.124 -6.883 -8.152 392 HB2 TYR 51 1HB TYR 51 2.224 -9.564 -8.411 393 HB3 TYR 51 2HB TYR 51 1.236 -9.561 -6.963 394 HD1 TYR 51 2HD TYR 51 1.220 -7.472 -10.089 395 HD2 TYR 51 1HD TYR 51 -0.967 -10.058 -7.475 396 HE1 TYR 51 2HE TYR 51 -0.867 -7.152 -11.506 397 HE2 TYR 51 1HE TYR 51 -3.046 -9.729 -8.901 398 HH TYR 51 HH TYR 51 -2.894 -7.890 -11.912 399 H ASP 52 H ASP 52 1.823 -8.971 -5.182 400 HA ASP 52 HA ASP 52 -0.260 -7.738 -4.054 401 HB2 ASP 52 1HB ASP 52 1.601 -9.617 -3.262 402 HB3 ASP 52 2HB ASP 52 1.979 -8.305 -2.163 403 H ALA 53 H ALA 53 3.262 -6.942 -3.528 404 HA ALA 53 HA ALA 53 2.855 -4.733 -1.896 405 HB1 ALA 53 1HB ALA 53 5.123 -5.229 -3.867 406 HB2 ALA 53 2HB ALA 53 5.180 -4.225 -2.398 407 HB3 ALA 53 3HB ALA 53 4.996 -5.990 -2.263 408 H PHE 54 H PHE 54 3.152 -5.022 -5.490 409 HA PHE 54 HA PHE 54 3.098 -2.307 -6.037 410 HB2 PHE 54 1HB PHE 54 3.649 -3.830 -7.807 411 HB3 PHE 54 2HB PHE 54 2.339 -4.919 -7.399 412 HD1 PHE 54 2HD PHE 54 2.571 -1.310 -8.366 413 HD2 PHE 54 1HD PHE 54 0.771 -5.089 -9.066 414 HE1 PHE 54 2HE PHE 54 1.167 -0.304 -10.188 415 HE2 PHE 54 1HE PHE 54 -0.632 -4.083 -10.888 416 HZ PHE 54 HZ PHE 54 -0.418 -1.703 -11.427 417 H GLN 55 H GLN 55 0.335 -4.655 -6.387 418 HA GLN 55 HA GLN 55 -1.598 -2.868 -6.890 419 HB2 GLN 55 1HB GLN 55 -1.799 -5.379 -5.170 420 HB3 GLN 55 2HB GLN 55 -3.179 -4.538 -5.849 421 HG2 GLN 55 1HG GLN 55 -0.943 -5.328 -7.717 422 HG3 GLN 55 2HG GLN 55 -2.011 -6.589 -7.135 423 HE21 GLN 55 1HE2 GLN 55 -1.814 -3.532 -8.848 424 HE22 GLN 55 2HE2 GLN 55 -3.304 -3.649 -9.724 425 H ARG 56 H ARG 56 -0.591 -4.018 -3.591 426 HA ARG 56 HA ARG 56 -2.302 -2.730 -2.053 427 HB2 ARG 56 1HB ARG 56 -0.144 -4.093 -1.454 428 HB3 ARG 56 2HB ARG 56 0.681 -2.546 -1.453 429 HG2 ARG 56 1HG ARG 56 -0.637 -1.706 0.363 430 HG3 ARG 56 2HG ARG 56 -1.863 -2.943 0.163 431 HD2 ARG 56 1HD ARG 56 1.000 -3.685 0.884 432 HD3 ARG 56 2HD ARG 56 -0.148 -3.211 2.122 433 HE ARG 56 HE ARG 56 -0.098 -5.738 0.700 434 HH11 ARG 56 2HH2 ARG 56 -2.271 -3.422 2.216 435 HH12 ARG 56 1HH2 ARG 56 -3.498 -4.598 2.550 436 HH21 ARG 56 2HH1 ARG 56 -1.717 -7.290 1.140 437 HH22 ARG 56 1HH1 ARG 56 -3.181 -6.813 1.934 438 H LEU 57 H LEU 57 0.843 -1.251 -3.164 439 HA LEU 57 HA LEU 57 0.265 1.299 -2.189 440 HB2 LEU 57 1HB LEU 57 2.503 0.636 -2.635 441 HB3 LEU 57 2HB LEU 57 2.144 0.278 -4.312 442 HG LEU 57 HG LEU 57 3.429 2.440 -3.739 443 HD11 LEU 57 1HD1 LEU 57 1.317 3.403 -5.466 444 HD12 LEU 57 2HD1 LEU 57 2.997 2.961 -5.854 445 HD13 LEU 57 3HD1 LEU 57 1.728 1.713 -5.843 446 HD21 LEU 57 1HD2 LEU 57 1.838 4.406 -3.425 447 HD22 LEU 57 2HD2 LEU 57 0.633 3.207 -2.897 448 HD23 LEU 57 3HD2 LEU 57 2.160 3.388 -2.000 449 H ARG 58 H ARG 58 -0.108 -0.137 -5.499 450 HA ARG 58 HA ARG 58 -0.956 2.012 -6.824 451 HB2 ARG 58 1HB ARG 58 -1.022 -0.788 -7.204 452 HB3 ARG 58 2HB ARG 58 -2.693 -0.301 -7.411 453 HG2 ARG 58 1HG ARG 58 -0.580 1.361 -8.775 454 HG3 ARG 58 2HG ARG 58 -0.918 -0.224 -9.443 455 HD2 ARG 58 1HD ARG 58 -3.100 1.832 -8.858 456 HD3 ARG 58 2HD ARG 58 -2.310 1.696 -10.416 457 HE ARG 58 HE ARG 58 -4.259 -0.179 -9.270 458 HH11 ARG 58 2HH2 ARG 58 -1.722 0.262 -11.668 459 HH12 ARG 58 1HH2 ARG 58 -2.279 -1.028 -12.681 460 HH21 ARG 58 2HH1 ARG 58 -4.994 -1.881 -10.606 461 HH22 ARG 58 1HH1 ARG 58 -4.153 -2.255 -12.073 462 H LYS 59 H LYS 59 -2.606 0.329 -4.209 463 HA LYS 59 HA LYS 59 -5.141 1.612 -4.832 464 HB2 LYS 59 1HB LYS 59 -4.516 -0.860 -3.807 465 HB3 LYS 59 2HB LYS 59 -4.901 0.036 -2.352 466 HG2 LYS 59 1HG LYS 59 -7.043 0.825 -3.499 467 HG3 LYS 59 2HG LYS 59 -6.670 -0.262 -4.822 468 HD2 LYS 59 1HD LYS 59 -6.673 -2.198 -3.243 469 HD3 LYS 59 2HD LYS 59 -7.021 -1.116 -1.909 470 HE2 LYS 59 1HE LYS 59 -9.017 -0.448 -3.740 471 HE3 LYS 59 2HE LYS 59 -8.840 -2.172 -4.001 472 HZ1 LYS 59 1HZ LYS 59 -8.961 -1.213 -1.265 473 HZ2 LYS 59 2HZ LYS 59 -10.348 -1.258 -2.127 474 HZ3 LYS 59 3HZ LYS 59 -9.488 -2.626 -1.892 475 H ILE 60 H ILE 60 -2.391 1.735 -2.550 476 HA ILE 60 HA ILE 60 -3.574 3.436 -0.681 477 HB ILE 60 HB ILE 60 -0.728 2.874 -1.481 478 HG12 ILE 60 1HG1 ILE 60 -2.413 2.085 0.914 479 HG13 ILE 60 2HG1 ILE 60 -1.936 1.042 -0.412 480 HG21 ILE 60 1HG2 ILE 60 -1.666 5.158 -0.039 481 HG22 ILE 60 2HG2 ILE 60 -0.808 4.081 1.088 482 HG23 ILE 60 3HG2 ILE 60 0.006 4.656 -0.387 483 HD11 ILE 60 1HD1 ILE 60 0.336 2.460 0.874 484 HD12 ILE 60 2HD1 ILE 60 -0.524 1.323 1.940 485 HD13 ILE 60 3HD1 ILE 60 0.179 0.749 0.408 486 H GLU 61 H GLU 61 -1.745 4.072 -3.726 487 HA GLU 61 HA GLU 61 -1.538 6.783 -3.443 488 HB2 GLU 61 1HB GLU 61 -1.884 5.092 -5.955 489 HB3 GLU 61 2HB GLU 61 -1.437 6.786 -5.986 490 HG2 GLU 61 1HG GLU 61 0.133 4.683 -4.429 491 HG3 GLU 61 2HG GLU 61 0.513 5.126 -6.081 492 H ILE 62 H ILE 62 -4.274 4.766 -4.599 493 HA ILE 62 HA ILE 62 -5.821 6.906 -5.565 494 HB ILE 62 HB ILE 62 -6.640 4.171 -4.579 495 HG12 ILE 62 1HG1 ILE 62 -6.115 5.051 -7.427 496 HG13 ILE 62 2HG1 ILE 62 -4.897 4.284 -6.426 497 HG21 ILE 62 1HG2 ILE 62 -8.218 6.414 -5.376 498 HG22 ILE 62 2HG2 ILE 62 -8.343 5.156 -6.630 499 HG23 ILE 62 3HG2 ILE 62 -8.742 4.770 -4.939 500 HD11 ILE 62 1HD1 ILE 62 -7.583 3.119 -7.274 501 HD12 ILE 62 2HD1 ILE 62 -5.959 2.534 -7.709 502 HD13 ILE 62 3HD1 ILE 62 -6.546 2.370 -6.036 503 H LEU 63 H LEU 63 -5.656 5.200 -2.382 504 HA LEU 63 HA LEU 63 -7.750 6.357 -1.112 505 HB2 LEU 63 1HB LEU 63 -5.061 5.396 -0.255 506 HB3 LEU 63 2HB LEU 63 -6.031 6.278 0.909 507 HG LEU 63 HG LEU 63 -7.078 3.864 -0.582 508 HD11 LEU 63 1HD1 LEU 63 -6.618 2.713 1.696 509 HD12 LEU 63 2HD1 LEU 63 -5.285 2.904 0.531 510 HD13 LEU 63 3HD1 LEU 63 -5.418 4.009 1.921 511 HD21 LEU 63 1HD2 LEU 63 -8.903 5.012 0.290 512 HD22 LEU 63 2HD2 LEU 63 -8.541 3.804 1.546 513 HD23 LEU 63 3HD2 LEU 63 -8.028 5.494 1.763 514 H THR 64 H THR 64 -4.463 7.636 -0.359 515 HA THR 64 HA THR 64 -5.352 10.121 0.435 516 HB THR 64 HB THR 64 -3.109 9.144 0.912 517 HG1 THR 64 1HG THR 64 -2.999 11.523 -0.801 518 HG21 THR 64 1HG2 THR 64 -2.854 9.425 -2.095 519 HG22 THR 64 2HG2 THR 64 -1.418 9.703 -1.082 520 HG23 THR 64 3HG2 THR 64 -2.248 8.129 -1.038 521 HA PRO 65 HA PRO 65 -6.329 12.225 -3.179 522 HB2 PRO 65 1HB PRO 65 -6.223 14.806 -2.287 523 HB3 PRO 65 2HB PRO 65 -7.598 13.754 -2.016 524 HG2 PRO 65 1HG PRO 65 -5.509 14.603 -0.105 525 HG3 PRO 65 2HG PRO 65 -7.089 13.922 0.227 526 HD2 PRO 65 1HD PRO 65 -4.569 12.560 0.371 527 HD3 PRO 65 2HD PRO 65 -6.156 11.852 0.590 528 H GLU 66 H GLU 66 -3.936 14.315 -1.638 529 HA GLU 66 HA GLU 66 -2.809 15.271 -3.840 530 HB2 GLU 66 1HB GLU 66 -2.227 15.488 -1.241 531 HB3 GLU 66 2HB GLU 66 -0.947 14.362 -1.647 532 HG2 GLU 66 1HG GLU 66 -0.290 15.948 -3.554 533 HG3 GLU 66 2HG GLU 66 -1.437 17.101 -2.902 534 H VAL 67 H VAL 67 -1.860 14.437 -5.647 535 HA VAL 67 HA VAL 67 -0.038 12.242 -5.425 536 HB VAL 67 HB VAL 67 -2.106 11.003 -5.399 537 HG11 VAL 67 1HG1 VAL 67 -3.467 12.844 -6.495 538 HG12 VAL 67 2HG1 VAL 67 -2.847 12.257 -8.057 539 HG13 VAL 67 3HG1 VAL 67 -3.830 11.186 -7.030 540 HG21 VAL 67 1HG2 VAL 67 -0.889 10.837 -8.176 541 HG22 VAL 67 2HG2 VAL 67 -0.165 10.137 -6.708 542 HG23 VAL 67 3HG2 VAL 67 -1.739 9.546 -7.293 543 H ASN 68 H ASN 68 1.600 12.780 -6.765 544 HA ASN 68 HA ASN 68 1.275 14.896 -8.567 545 HB2 ASN 68 1HB ASN 68 3.421 13.790 -7.306 546 HB3 ASN 68 2HB ASN 68 3.590 12.979 -8.850 547 HD21 ASN 68 1HD2 ASN 68 3.645 14.282 -10.793 548 HD22 ASN 68 2HD2 ASN 68 4.344 15.866 -10.761 549 H LYS 69 H LYS 69 0.223 14.669 -10.548 550 HA LYS 69 HA LYS 69 -0.703 13.662 -12.309 551 HB2 LYS 69 1HB LYS 69 2.099 13.825 -12.561 552 HB3 LYS 69 2HB LYS 69 1.664 12.262 -13.223 553 HG2 LYS 69 1HG LYS 69 -0.099 14.562 -13.999 554 HG3 LYS 69 2HG LYS 69 1.527 14.580 -14.653 555 HD2 LYS 69 1HD LYS 69 1.016 12.951 -16.149 556 HD3 LYS 69 2HD LYS 69 0.439 11.891 -14.877 557 HE2 LYS 69 1HE LYS 69 -1.696 13.502 -14.926 558 HE3 LYS 69 2HE LYS 69 -1.118 13.885 -16.536 559 HZ1 LYS 69 1HZ LYS 69 -0.983 11.340 -16.746 560 HZ2 LYS 69 2HZ LYS 69 -2.039 11.328 -15.500 561 HZ3 LYS 69 3HZ LYS 69 -2.432 12.078 -16.897 562 H GLY 70 H GLY 70 -2.206 12.250 -11.327 563 HA2 GLY 70 1HA GLY 70 -1.284 9.520 -10.769 564 HA3 GLY 70 2HA GLY 70 -2.802 10.245 -10.280 565 H SER 71 H SER 71 -2.751 7.714 -11.510 566 HA SER 71 HA SER 71 -3.374 8.181 -14.282 567 HB2 SER 71 1HB SER 71 -2.010 6.188 -13.425 568 HB3 SER 71 2HB SER 71 -3.494 5.557 -12.738 569 HG SER 71 HG SER 71 -2.610 5.260 -15.250 570 H GLY 72 H GLY 72 -5.439 8.705 -14.890 571 HA2 GLY 72 1HA GLY 72 -7.637 7.912 -13.080 572 HA3 GLY 72 2HA GLY 72 -7.625 9.326 -14.116 573 HA PRO 73 HA PRO 73 -9.777 6.624 -16.829 574 HB2 PRO 73 1HB PRO 73 -10.647 8.531 -18.582 575 HB3 PRO 73 2HB PRO 73 -11.507 8.117 -17.113 576 HG2 PRO 73 1HG PRO 73 -9.858 10.502 -17.684 577 HG3 PRO 73 2HG PRO 73 -11.048 10.268 -16.420 578 HD2 PRO 73 1HD PRO 73 -8.195 10.204 -16.125 579 HD3 PRO 73 2HD PRO 73 -9.384 9.856 -14.887 580 H SER 74 H SER 74 -9.276 5.386 -18.574 581 HA SER 74 HA SER 74 -7.648 6.555 -20.576 582 HB2 SER 74 1HB SER 74 -6.259 5.501 -18.383 583 HB3 SER 74 2HB SER 74 -6.221 4.189 -19.544 584 HG SER 74 HG SER 74 -4.961 5.341 -20.890 585 H SER 75 H SER 75 -7.051 4.770 -22.277 586 HA SER 75 HA SER 75 -8.273 2.292 -22.134 587 HB2 SER 75 1HB SER 75 -10.110 2.679 -23.843 588 HB3 SER 75 2HB SER 75 -10.422 3.362 -22.259 589 HG SER 75 HG SER 75 -10.886 4.813 -24.104 590 H GLY 76 H GLY 76 -7.676 1.008 -23.973 591 HA2 GLY 76 1HA GLY 76 -6.484 0.461 -25.797 592 HA3 GLY 76 2HA GLY 76 -6.904 2.027 -26.461 Start of MODEL 18 1 H1 GLY 1 H GLY 1 37.368 7.862 -2.923 2 HA2 GLY 1 1HA GLY 1 38.093 9.111 -0.350 3 HA3 GLY 1 2HA GLY 1 38.310 9.979 -1.857 4 H SER 2 H SER 2 36.766 11.591 -1.028 5 HA SER 2 HA SER 2 34.813 12.535 -0.980 6 HB2 SER 2 1HB SER 2 34.419 10.353 -2.925 7 HB3 SER 2 2HB SER 2 32.920 10.839 -2.158 8 HG SER 2 HG SER 2 33.084 12.884 -2.990 9 H SER 3 H SER 3 32.752 12.552 0.234 10 HA SER 3 HA SER 3 32.169 10.132 1.680 11 HB2 SER 3 1HB SER 3 33.873 11.361 3.061 12 HB3 SER 3 2HB SER 3 32.802 12.746 3.120 13 HG SER 3 HG SER 3 32.782 10.488 4.673 14 H GLY 4 H GLY 4 29.958 9.894 1.746 15 HA2 GLY 4 1HA GLY 4 27.773 10.485 1.973 16 HA3 GLY 4 2HA GLY 4 28.232 12.167 2.146 17 H SER 5 H SER 5 28.270 9.539 -0.371 18 HA SER 5 HA SER 5 26.637 10.906 -2.103 19 HB2 SER 5 1HB SER 5 28.889 12.327 -2.112 20 HB3 SER 5 2HB SER 5 29.459 11.056 -3.175 21 HG SER 5 HG SER 5 28.108 11.694 -4.759 22 H SER 6 H SER 6 26.136 9.570 -3.934 23 HA SER 6 HA SER 6 26.997 6.898 -3.619 24 HB2 SER 6 1HB SER 6 25.343 8.147 -5.858 25 HB3 SER 6 2HB SER 6 25.462 6.435 -5.504 26 HG SER 6 HG SER 6 24.363 6.734 -3.540 27 H GLY 7 H GLY 7 27.183 9.282 -6.372 28 HA2 GLY 7 1HA GLY 7 28.902 9.678 -7.805 29 HA3 GLY 7 2HA GLY 7 29.883 8.485 -6.976 30 H THR 8 H THR 8 26.904 8.677 -9.054 31 HA THR 8 HA THR 8 28.018 6.582 -10.732 32 HB THR 8 HB THR 8 25.353 6.346 -9.238 33 HG1 THR 8 1HG THR 8 27.800 4.732 -9.375 34 HG21 THR 8 1HG2 THR 8 26.102 3.892 -10.433 35 HG22 THR 8 2HG2 THR 8 24.745 4.931 -10.932 36 HG23 THR 8 3HG2 THR 8 26.334 5.103 -11.717 37 H SER 9 H SER 9 24.927 8.399 -10.147 38 HA SER 9 HA SER 9 25.318 9.861 -12.523 39 HB2 SER 9 1HB SER 9 24.480 7.476 -13.248 40 HB3 SER 9 2HB SER 9 22.926 8.001 -12.632 41 HG SER 9 HG SER 9 23.789 10.026 -14.147 42 H SER 10 H SER 10 23.717 11.586 -12.719 43 HA SER 10 HA SER 10 21.715 11.610 -10.628 44 HB2 SER 10 1HB SER 10 22.329 13.896 -9.936 45 HB3 SER 10 2HB SER 10 23.664 12.792 -9.676 46 HG SER 10 HG SER 10 24.415 13.543 -11.902 47 H ASN 11 H ASN 11 20.157 11.324 -12.341 48 HA ASN 11 HA ASN 11 19.328 13.734 -13.485 49 HB2 ASN 11 1HB ASN 11 21.088 12.005 -15.109 50 HB3 ASN 11 2HB ASN 11 19.531 12.236 -15.879 51 HD21 ASN 11 1HD2 ASN 11 18.704 14.487 -15.963 52 HD22 ASN 11 2HD2 ASN 11 19.820 15.771 -16.292 53 HA PRO 12 HA PRO 12 16.105 10.647 -13.008 54 HB2 PRO 12 1HB PRO 12 14.112 12.369 -12.281 55 HB3 PRO 12 2HB PRO 12 15.191 11.611 -11.127 56 HG2 PRO 12 1HG PRO 12 15.183 14.402 -12.102 57 HG3 PRO 12 2HG PRO 12 15.950 13.741 -10.672 58 HD2 PRO 12 1HD PRO 12 17.236 14.457 -13.134 59 HD3 PRO 12 2HD PRO 12 17.982 13.688 -11.746 60 H VAL 13 H VAL 13 14.283 13.460 -13.913 61 HA VAL 13 HA VAL 13 12.835 13.651 -15.609 62 HB VAL 13 HB VAL 13 15.460 13.143 -17.018 63 HG11 VAL 13 1HG1 VAL 13 12.996 13.160 -18.248 64 HG12 VAL 13 2HG1 VAL 13 13.494 14.865 -18.368 65 HG13 VAL 13 3HG1 VAL 13 14.542 13.583 -19.023 66 HG21 VAL 13 1HG2 VAL 13 15.851 15.452 -16.896 67 HG22 VAL 13 2HG2 VAL 13 14.152 15.817 -16.512 68 HG23 VAL 13 3HG2 VAL 13 15.195 15.047 -15.292 69 H LEU 14 H LEU 14 11.419 11.879 -15.261 70 HA LEU 14 HA LEU 14 11.140 10.142 -17.387 71 HB2 LEU 14 1HB LEU 14 13.099 9.248 -15.482 72 HB3 LEU 14 2HB LEU 14 11.722 8.165 -15.458 73 HG LEU 14 HG LEU 14 12.650 8.864 -18.168 74 HD11 LEU 14 1HD1 LEU 14 14.428 6.881 -16.870 75 HD12 LEU 14 2HD1 LEU 14 14.760 8.064 -18.158 76 HD13 LEU 14 3HD1 LEU 14 14.716 8.588 -16.457 77 HD21 LEU 14 1HD2 LEU 14 11.018 6.975 -17.104 78 HD22 LEU 14 2HD2 LEU 14 11.818 6.840 -18.689 79 HD23 LEU 14 3HD2 LEU 14 12.534 6.056 -17.260 80 H GLU 15 H GLU 15 9.348 11.774 -16.353 81 HA GLU 15 HA GLU 15 7.358 10.028 -15.465 82 HB2 GLU 15 1HB GLU 15 6.913 10.985 -13.231 83 HB3 GLU 15 2HB GLU 15 8.499 10.241 -13.288 84 HG2 GLU 15 1HG GLU 15 8.370 13.154 -14.004 85 HG3 GLU 15 2HG GLU 15 8.068 12.753 -12.325 86 H LEU 16 H LEU 16 5.227 11.179 -15.242 87 HA LEU 16 HA LEU 16 5.282 13.943 -16.146 88 HB2 LEU 16 1HB LEU 16 4.125 11.638 -17.686 89 HB3 LEU 16 2HB LEU 16 3.445 13.247 -17.828 90 HG LEU 16 HG LEU 16 6.371 12.666 -18.327 91 HD11 LEU 16 1HD1 LEU 16 5.105 13.105 -20.793 92 HD12 LEU 16 2HD1 LEU 16 5.830 11.594 -20.193 93 HD13 LEU 16 3HD1 LEU 16 4.097 11.911 -19.940 94 HD21 LEU 16 1HD2 LEU 16 4.563 15.008 -18.958 95 HD22 LEU 16 2HD2 LEU 16 6.005 14.978 -17.914 96 HD23 LEU 16 3HD2 LEU 16 6.177 14.785 -19.675 97 H GLU 17 H GLU 17 4.294 14.845 -14.398 98 HA GLU 17 HA GLU 17 2.806 15.260 -12.871 99 HB2 GLU 17 1HB GLU 17 1.008 13.968 -14.952 100 HB3 GLU 17 2HB GLU 17 0.353 14.625 -13.465 101 HG2 GLU 17 1HG GLU 17 0.195 16.476 -14.900 102 HG3 GLU 17 2HG GLU 17 1.716 16.793 -14.090 103 H LEU 18 H LEU 18 3.823 13.882 -11.281 104 HA LEU 18 HA LEU 18 3.401 11.170 -11.035 105 HB2 LEU 18 1HB LEU 18 4.250 13.387 -9.255 106 HB3 LEU 18 2HB LEU 18 3.740 11.904 -8.473 107 HG LEU 18 HG LEU 18 5.404 10.767 -10.166 108 HD11 LEU 18 1HD1 LEU 18 6.055 13.656 -10.398 109 HD12 LEU 18 2HD1 LEU 18 7.424 12.528 -10.248 110 HD13 LEU 18 3HD1 LEU 18 6.248 12.330 -11.569 111 HD21 LEU 18 1HD2 LEU 18 7.248 11.761 -8.343 112 HD22 LEU 18 2HD2 LEU 18 5.688 11.893 -7.496 113 HD23 LEU 18 3HD2 LEU 18 6.219 10.322 -8.143 114 H ALA 19 H ALA 19 2.048 9.952 -9.487 115 HA ALA 19 HA ALA 19 0.168 9.542 -8.339 116 HB1 ALA 19 1HB ALA 19 0.392 12.250 -7.935 117 HB2 ALA 19 2HB ALA 19 -1.174 12.147 -8.776 118 HB3 ALA 19 3HB ALA 19 -0.910 11.233 -7.271 119 H GLU 20 H GLU 20 0.087 8.233 -10.414 120 HA GLU 20 HA GLU 20 -2.300 9.054 -11.860 121 HB2 GLU 20 1HB GLU 20 0.349 8.832 -12.949 122 HB3 GLU 20 2HB GLU 20 -0.594 7.507 -13.604 123 HG2 GLU 20 1HG GLU 20 -2.420 9.527 -13.861 124 HG3 GLU 20 2HG GLU 20 -0.941 10.459 -13.986 125 H GLU 21 H GLU 21 -3.209 7.583 -10.113 126 HA GLU 21 HA GLU 21 -2.508 4.944 -9.908 127 HB2 GLU 21 1HB GLU 21 -4.931 4.671 -9.074 128 HB3 GLU 21 2HB GLU 21 -3.932 5.841 -8.233 129 HG2 GLU 21 1HG GLU 21 -4.987 7.701 -9.314 130 HG3 GLU 21 2HG GLU 21 -5.676 6.693 -10.572 131 H LYS 22 H LYS 22 -4.159 6.637 -12.479 132 HA LYS 22 HA LYS 22 -5.703 4.547 -13.502 133 HB2 LYS 22 1HB LYS 22 -5.367 7.194 -14.065 134 HB3 LYS 22 2HB LYS 22 -4.530 6.470 -15.423 135 HG2 LYS 22 1HG LYS 22 -6.955 4.969 -15.002 136 HG3 LYS 22 2HG LYS 22 -7.377 6.669 -14.970 137 HD2 LYS 22 1HD LYS 22 -6.483 7.055 -17.165 138 HD3 LYS 22 2HD LYS 22 -5.581 5.553 -17.155 139 HE2 LYS 22 1HE LYS 22 -7.336 4.453 -18.078 140 HE3 LYS 22 2HE LYS 22 -8.362 4.904 -16.730 141 HZ1 LYS 22 1HZ LYS 22 -9.150 6.695 -17.843 142 HZ2 LYS 22 2HZ LYS 22 -7.809 6.912 -18.749 143 HZ3 LYS 22 3HZ LYS 22 -8.862 5.720 -19.122 144 H LEU 23 H LEU 23 -5.135 3.733 -15.916 145 HA LEU 23 HA LEU 23 -3.901 2.390 -17.159 146 HB2 LEU 23 1HB LEU 23 -2.174 4.466 -16.446 147 HB3 LEU 23 2HB LEU 23 -1.247 3.005 -16.165 148 HG LEU 23 HG LEU 23 -2.420 2.571 -18.658 149 HD11 LEU 23 1HD1 LEU 23 -1.857 5.481 -18.245 150 HD12 LEU 23 2HD1 LEU 23 -1.471 4.737 -19.816 151 HD13 LEU 23 3HD1 LEU 23 -3.136 4.682 -19.190 152 HD21 LEU 23 1HD2 LEU 23 -0.243 1.813 -18.242 153 HD22 LEU 23 2HD2 LEU 23 -0.046 3.080 -19.476 154 HD23 LEU 23 3HD2 LEU 23 0.332 3.430 -17.773 155 HA PRO 24 HA PRO 24 -3.180 -1.059 -14.669 156 HB2 PRO 24 1HB PRO 24 -1.979 -2.775 -16.424 157 HB3 PRO 24 2HB PRO 24 -3.709 -2.504 -16.382 158 HG2 PRO 24 1HG PRO 24 -1.725 -1.514 -18.337 159 HG3 PRO 24 2HG PRO 24 -3.467 -1.619 -18.498 160 HD2 PRO 24 1HD PRO 24 -1.930 0.748 -17.983 161 HD3 PRO 24 2HD PRO 24 -3.677 0.622 -18.029 162 H MET 25 H MET 25 -1.177 -2.989 -14.659 163 HA MET 25 HA MET 25 0.558 -1.953 -12.911 164 HB2 MET 25 1HB MET 25 0.198 -4.398 -13.886 165 HB3 MET 25 2HB MET 25 1.482 -3.975 -15.001 166 HG2 MET 25 1HG MET 25 2.656 -3.181 -12.665 167 HG3 MET 25 2HG MET 25 1.613 -4.442 -12.038 168 HE1 MET 25 1HE MET 25 3.060 -6.062 -11.287 169 HE2 MET 25 2HE MET 25 4.364 -6.904 -12.158 170 HE3 MET 25 3HE MET 25 4.606 -5.234 -11.591 171 H THR 26 H THR 26 1.779 -0.115 -13.099 172 HA THR 26 HA THR 26 3.738 -0.027 -15.233 173 HB THR 26 HB THR 26 2.949 2.427 -15.679 174 HG1 THR 26 1HG THR 26 0.600 1.098 -14.522 175 HG21 THR 26 1HG2 THR 26 2.345 0.136 -17.043 176 HG22 THR 26 2HG2 THR 26 0.713 0.599 -16.503 177 HG23 THR 26 3HG2 THR 26 1.675 1.722 -17.493 178 H LEU 27 H LEU 27 3.958 -0.588 -12.443 179 HA LEU 27 HA LEU 27 5.652 1.672 -11.745 180 HB2 LEU 27 1HB LEU 27 3.696 0.508 -9.766 181 HB3 LEU 27 2HB LEU 27 4.803 1.843 -9.517 182 HG LEU 27 HG LEU 27 2.437 1.858 -11.412 183 HD11 LEU 27 1HD1 LEU 27 1.923 3.762 -9.525 184 HD12 LEU 27 2HD1 LEU 27 1.269 2.107 -9.515 185 HD13 LEU 27 3HD1 LEU 27 2.714 2.499 -8.552 186 HD21 LEU 27 1HD2 LEU 27 3.527 4.449 -10.684 187 HD22 LEU 27 2HD2 LEU 27 4.738 3.430 -11.499 188 HD23 LEU 27 3HD2 LEU 27 3.177 3.763 -12.288 189 H SER 28 H SER 28 7.634 0.767 -11.640 190 HA SER 28 HA SER 28 7.937 -1.989 -11.232 191 HB2 SER 28 1HB SER 28 9.867 0.354 -11.338 192 HB3 SER 28 2HB SER 28 10.436 -1.270 -11.005 193 HG SER 28 HG SER 28 8.832 -1.512 -13.133 194 H ARG 29 H ARG 29 9.387 -2.931 -9.445 195 HA ARG 29 HA ARG 29 8.302 -2.756 -7.064 196 HB2 ARG 29 1HB ARG 29 10.671 -3.367 -6.136 197 HB3 ARG 29 2HB ARG 29 9.973 -4.421 -7.349 198 HG2 ARG 29 1HG ARG 29 11.268 -2.543 -8.930 199 HG3 ARG 29 2HG ARG 29 12.332 -2.620 -7.541 200 HD2 ARG 29 1HD ARG 29 11.379 -5.264 -8.579 201 HD3 ARG 29 2HD ARG 29 12.451 -4.377 -9.645 202 HE ARG 29 HE ARG 29 13.220 -5.724 -7.231 203 HH11 ARG 29 2HH2 ARG 29 13.864 -2.757 -9.009 204 HH12 ARG 29 1HH2 ARG 29 15.468 -2.578 -8.380 205 HH21 ARG 29 2HH1 ARG 29 15.336 -5.488 -6.400 206 HH22 ARG 29 1HH1 ARG 29 16.311 -4.141 -6.886 207 H GLN 30 H GLN 30 11.249 -0.840 -8.030 208 HA GLN 30 HA GLN 30 11.469 0.581 -5.705 209 HB2 GLN 30 1HB GLN 30 12.883 0.448 -8.023 210 HB3 GLN 30 2HB GLN 30 12.111 2.003 -8.263 211 HG2 GLN 30 1HG GLN 30 13.475 3.004 -6.748 212 HG3 GLN 30 2HG GLN 30 13.100 1.807 -5.525 213 HE21 GLN 30 1HE2 GLN 30 14.820 0.869 -4.759 214 HE22 GLN 30 2HE2 GLN 30 16.241 0.394 -5.629 215 H GLU 31 H GLU 31 9.585 1.332 -8.701 216 HA GLU 31 HA GLU 31 8.754 3.837 -7.934 217 HB2 GLU 31 1HB GLU 31 8.447 2.312 -10.157 218 HB3 GLU 31 2HB GLU 31 6.844 2.116 -9.477 219 HG2 GLU 31 1HG GLU 31 6.924 4.065 -11.010 220 HG3 GLU 31 2HG GLU 31 6.541 4.569 -9.376 221 H VAL 32 H VAL 32 7.767 0.637 -6.843 222 HA VAL 32 HA VAL 32 5.348 1.696 -5.624 223 HB VAL 32 HB VAL 32 6.538 -1.074 -5.835 224 HG11 VAL 32 1HG1 VAL 32 3.727 -0.821 -4.977 225 HG12 VAL 32 2HG1 VAL 32 5.012 -1.911 -4.403 226 HG13 VAL 32 3HG1 VAL 32 4.918 -0.244 -3.786 227 HG21 VAL 32 1HG2 VAL 32 5.553 0.011 -7.905 228 HG22 VAL 32 2HG2 VAL 32 4.819 -1.536 -7.418 229 HG23 VAL 32 3HG2 VAL 32 3.984 -0.004 -7.065 230 H ILE 33 H ILE 33 8.670 0.658 -4.869 231 HA ILE 33 HA ILE 33 8.280 0.487 -2.077 232 HB ILE 33 HB ILE 33 10.668 0.719 -3.884 233 HG12 ILE 33 1HG1 ILE 33 9.912 -1.515 -1.995 234 HG13 ILE 33 2HG1 ILE 33 9.256 -1.412 -3.617 235 HG21 ILE 33 1HG2 ILE 33 11.925 1.501 -2.230 236 HG22 ILE 33 2HG2 ILE 33 10.562 1.433 -1.087 237 HG23 ILE 33 3HG2 ILE 33 11.590 0.001 -1.332 238 HD11 ILE 33 1HD1 ILE 33 11.153 -2.721 -3.996 239 HD12 ILE 33 2HD1 ILE 33 11.809 -1.098 -4.313 240 HD13 ILE 33 3HD1 ILE 33 12.105 -1.887 -2.745 241 H ARG 34 H ARG 34 9.203 3.113 -4.348 242 HA ARG 34 HA ARG 34 10.069 4.945 -2.565 243 HB2 ARG 34 1HB ARG 34 8.833 4.984 -5.261 244 HB3 ARG 34 2HB ARG 34 8.563 6.471 -4.374 245 HG2 ARG 34 1HG ARG 34 10.710 7.128 -4.694 246 HG3 ARG 34 2HG ARG 34 11.320 5.642 -3.994 247 HD2 ARG 34 1HD ARG 34 12.166 5.495 -6.180 248 HD3 ARG 34 2HD ARG 34 10.686 4.568 -6.328 249 HE ARG 34 HE ARG 34 9.894 6.184 -7.807 250 HH11 ARG 34 2HH2 ARG 34 12.339 7.659 -5.750 251 HH12 ARG 34 1HH2 ARG 34 12.295 9.183 -6.572 252 HH21 ARG 34 2HH1 ARG 34 9.835 8.195 -8.892 253 HH22 ARG 34 1HH1 ARG 34 10.860 9.490 -8.371 254 H ARG 35 H ARG 35 6.726 5.125 -3.995 255 HA ARG 35 HA ARG 35 5.644 6.837 -2.298 256 HB2 ARG 35 1HB ARG 35 4.438 4.342 -3.565 257 HB3 ARG 35 2HB ARG 35 3.443 5.452 -2.644 258 HG2 ARG 35 1HG ARG 35 3.256 6.761 -4.483 259 HG3 ARG 35 2HG ARG 35 4.973 7.097 -4.388 260 HD2 ARG 35 1HD ARG 35 5.533 5.356 -5.918 261 HD3 ARG 35 2HD ARG 35 4.010 4.522 -5.678 262 HE ARG 35 HE ARG 35 2.954 6.007 -7.187 263 HH11 ARG 35 2HH2 ARG 35 6.220 7.101 -6.467 264 HH12 ARG 35 1HH2 ARG 35 6.243 8.277 -7.738 265 HH21 ARG 35 2HH1 ARG 35 2.984 7.558 -8.865 266 HH22 ARG 35 1HH1 ARG 35 4.391 8.539 -9.111 267 H LEU 36 H LEU 36 5.344 3.226 -1.857 268 HA LEU 36 HA LEU 36 4.163 3.116 0.540 269 HB2 LEU 36 1HB LEU 36 6.463 1.431 -0.456 270 HB3 LEU 36 2HB LEU 36 5.462 1.022 0.923 271 HG LEU 36 HG LEU 36 4.352 1.432 -1.863 272 HD11 LEU 36 1HD1 LEU 36 5.918 -0.386 -2.008 273 HD12 LEU 36 2HD1 LEU 36 5.262 -1.131 -0.530 274 HD13 LEU 36 3HD1 LEU 36 4.266 -1.050 -2.003 275 HD21 LEU 36 1HD2 LEU 36 2.587 1.668 -0.358 276 HD22 LEU 36 2HD2 LEU 36 2.508 -0.044 -0.839 277 HD23 LEU 36 3HD2 LEU 36 3.214 0.408 0.731 278 H ARG 37 H ARG 37 7.787 3.122 0.216 279 HA ARG 37 HA ARG 37 8.379 3.398 2.801 280 HB2 ARG 37 1HB ARG 37 9.674 4.190 0.239 281 HB3 ARG 37 2HB ARG 37 10.272 5.072 1.630 282 HG2 ARG 37 1HG ARG 37 10.252 2.546 2.678 283 HG3 ARG 37 2HG ARG 37 10.498 2.153 0.988 284 HD2 ARG 37 1HD ARG 37 12.470 3.665 0.894 285 HD3 ARG 37 2HD ARG 37 12.202 4.151 2.556 286 HE ARG 37 HE ARG 37 13.124 2.118 3.290 287 HH11 ARG 37 2HH2 ARG 37 12.420 1.918 -0.152 288 HH12 ARG 37 1HH2 ARG 37 13.241 0.407 -0.363 289 HH21 ARG 37 2HH1 ARG 37 14.207 0.125 3.013 290 HH22 ARG 37 1HH1 ARG 37 14.264 -0.620 1.450 291 H GLU 38 H GLU 38 7.773 6.110 0.452 292 HA GLU 38 HA GLU 38 8.137 8.153 2.251 293 HB2 GLU 38 1HB GLU 38 6.797 7.814 -0.396 294 HB3 GLU 38 2HB GLU 38 6.287 9.212 0.529 295 HG2 GLU 38 1HG GLU 38 9.230 8.560 0.078 296 HG3 GLU 38 2HG GLU 38 8.309 9.529 -1.055 297 H ARG 39 H ARG 39 5.413 5.945 1.750 298 HA ARG 39 HA ARG 39 3.655 7.606 3.273 299 HB2 ARG 39 1HB ARG 39 3.207 4.713 2.398 300 HB3 ARG 39 2HB ARG 39 1.977 5.883 2.834 301 HG2 ARG 39 1HG ARG 39 3.522 7.100 0.760 302 HG3 ARG 39 2HG ARG 39 3.248 5.446 0.250 303 HD2 ARG 39 1HD ARG 39 1.139 6.020 -0.361 304 HD3 ARG 39 2HD ARG 39 0.759 6.319 1.323 305 HE ARG 39 HE ARG 39 1.380 8.338 -0.717 306 HH11 ARG 39 2HH2 ARG 39 1.187 7.663 2.732 307 HH12 ARG 39 1HH2 ARG 39 1.013 9.328 3.178 308 HH21 ARG 39 2HH1 ARG 39 1.150 10.534 -0.129 309 HH22 ARG 39 1HH1 ARG 39 0.991 10.972 1.540 310 H GLY 40 H GLY 40 6.053 5.159 3.819 311 HA2 GLY 40 1HA GLY 40 6.850 4.589 5.920 312 HA3 GLY 40 2HA GLY 40 5.321 5.041 6.647 313 H GLU 41 H GLU 41 4.712 3.270 3.793 314 HA GLU 41 HA GLU 41 3.805 1.070 5.332 315 HB2 GLU 41 1HB GLU 41 3.909 1.423 2.303 316 HB3 GLU 41 2HB GLU 41 2.982 0.206 3.158 317 HG2 GLU 41 1HG GLU 41 2.545 3.069 3.971 318 HG3 GLU 41 2HG GLU 41 1.924 2.587 2.405 319 HA PRO 42 HA PRO 42 7.180 -1.596 4.760 320 HB2 PRO 42 1HB PRO 42 6.011 -4.066 4.738 321 HB3 PRO 42 2HB PRO 42 6.313 -3.161 6.209 322 HG2 PRO 42 1HG PRO 42 3.753 -3.604 4.798 323 HG3 PRO 42 2HG PRO 42 4.021 -3.085 6.450 324 HD2 PRO 42 1HD PRO 42 3.241 -1.434 4.238 325 HD3 PRO 42 2HD PRO 42 3.621 -0.899 5.863 326 H ILE 43 H ILE 43 8.490 -1.630 3.056 327 HA ILE 43 HA ILE 43 7.545 -1.672 0.483 328 HB ILE 43 HB ILE 43 9.858 -2.260 -0.141 329 HG12 ILE 43 1HG1 ILE 43 10.446 -2.420 2.823 330 HG13 ILE 43 2HG1 ILE 43 10.181 -3.838 1.828 331 HG21 ILE 43 1HG2 ILE 43 9.762 -0.008 0.044 332 HG22 ILE 43 2HG2 ILE 43 9.116 -0.055 1.702 333 HG23 ILE 43 3HG2 ILE 43 10.854 -0.312 1.417 334 HD11 ILE 43 1HD1 ILE 43 12.631 -3.029 2.151 335 HD12 ILE 43 2HD1 ILE 43 12.110 -3.427 0.496 336 HD13 ILE 43 3HD1 ILE 43 12.208 -1.727 1.014 337 H ARG 44 H ARG 44 8.426 -4.399 2.652 338 HA ARG 44 HA ARG 44 7.041 -6.104 0.765 339 HB2 ARG 44 1HB ARG 44 9.431 -6.483 0.322 340 HB3 ARG 44 2HB ARG 44 9.765 -6.675 2.032 341 HG2 ARG 44 1HG ARG 44 9.650 -8.890 1.004 342 HG3 ARG 44 2HG ARG 44 8.281 -8.701 2.083 343 HD2 ARG 44 1HD ARG 44 6.780 -8.896 0.375 344 HD3 ARG 44 2HD ARG 44 7.636 -7.734 -0.617 345 HE ARG 44 HE ARG 44 8.717 -9.497 -1.718 346 HH11 ARG 44 2HH2 ARG 44 7.316 -10.691 1.280 347 HH12 ARG 44 1HH2 ARG 44 7.660 -12.352 0.929 348 HH21 ARG 44 2HH1 ARG 44 9.171 -11.688 -2.183 349 HH22 ARG 44 1HH1 ARG 44 8.722 -12.923 -1.054 350 H LEU 45 H LEU 45 5.351 -7.014 1.892 351 HA LEU 45 HA LEU 45 5.369 -6.999 4.744 352 HB2 LEU 45 1HB LEU 45 3.462 -7.632 2.564 353 HB3 LEU 45 2HB LEU 45 3.187 -8.435 4.097 354 HG LEU 45 HG LEU 45 3.621 -5.469 4.089 355 HD11 LEU 45 1HD1 LEU 45 0.846 -6.526 3.671 356 HD12 LEU 45 2HD1 LEU 45 1.512 -4.904 3.362 357 HD13 LEU 45 3HD1 LEU 45 1.908 -6.251 2.268 358 HD21 LEU 45 1HD2 LEU 45 2.584 -7.526 5.907 359 HD22 LEU 45 2HD2 LEU 45 3.291 -5.930 6.252 360 HD23 LEU 45 3HD2 LEU 45 1.571 -6.065 5.814 361 H PHE 46 H PHE 46 4.159 -9.382 5.494 362 HA PHE 46 HA PHE 46 6.430 -11.168 5.243 363 HB2 PHE 46 1HB PHE 46 4.901 -10.343 7.349 364 HB3 PHE 46 2HB PHE 46 3.899 -11.690 6.846 365 HD1 PHE 46 1HD PHE 46 5.688 -13.796 6.148 366 HD2 PHE 46 2HD PHE 46 6.108 -10.904 9.224 367 HE1 PHE 46 1HE PHE 46 7.163 -15.373 7.428 368 HE2 PHE 46 2HE PHE 46 7.583 -12.480 10.505 369 HZ PHE 46 HZ PHE 46 8.093 -14.696 9.591 370 H GLY 47 H GLY 47 5.778 -11.545 2.871 371 HA2 GLY 47 1HA GLY 47 5.253 -13.687 1.851 372 HA3 GLY 47 2HA GLY 47 3.769 -13.716 2.782 373 H GLU 48 H GLU 48 5.442 -11.180 0.772 374 HA GLU 48 HA GLU 48 2.928 -10.964 -0.694 375 HB2 GLU 48 1HB GLU 48 4.524 -8.918 0.696 376 HB3 GLU 48 2HB GLU 48 4.229 -8.493 -0.979 377 HG2 GLU 48 1HG GLU 48 1.734 -9.222 -0.451 378 HG3 GLU 48 2HG GLU 48 2.209 -9.008 1.222 379 H THR 49 H THR 49 3.293 -9.898 -2.955 380 HA THR 49 HA THR 49 5.904 -10.712 -4.032 381 HB THR 49 HB THR 49 4.151 -12.493 -4.415 382 HG1 THR 49 1HG THR 49 4.669 -12.478 -6.712 383 HG21 THR 49 1HG2 THR 49 2.122 -11.062 -4.615 384 HG22 THR 49 2HG2 THR 49 2.832 -10.245 -6.028 385 HG23 THR 49 3HG2 THR 49 2.388 -11.966 -6.125 386 H ASP 50 H ASP 50 5.828 -9.927 -6.556 387 HA ASP 50 HA ASP 50 6.161 -7.242 -6.407 388 HB2 ASP 50 1HB ASP 50 6.003 -9.290 -8.500 389 HB3 ASP 50 2HB ASP 50 5.351 -7.770 -9.079 390 H TYR 51 H TYR 51 3.314 -9.171 -7.578 391 HA TYR 51 HA TYR 51 1.741 -6.998 -8.362 392 HB2 TYR 51 1HB TYR 51 1.596 -9.623 -8.697 393 HB3 TYR 51 2HB TYR 51 0.842 -9.659 -7.115 394 HD1 TYR 51 2HD TYR 51 0.424 -7.368 -10.065 395 HD2 TYR 51 1HD TYR 51 -1.423 -10.104 -7.344 396 HE1 TYR 51 2HE TYR 51 -1.839 -6.908 -11.127 397 HE2 TYR 51 1HE TYR 51 -3.680 -9.635 -8.416 398 HH TYR 51 HH TYR 51 -4.710 -7.734 -9.680 399 H ASP 52 H ASP 52 1.441 -9.051 -5.369 400 HA ASP 52 HA ASP 52 -0.474 -7.651 -4.139 401 HB2 ASP 52 1HB ASP 52 1.427 -9.613 -3.426 402 HB3 ASP 52 2HB ASP 52 1.686 -8.334 -2.256 403 H ALA 53 H ALA 53 3.124 -7.166 -3.746 404 HA ALA 53 HA ALA 53 3.054 -4.981 -2.091 405 HB1 ALA 53 1HB ALA 53 5.325 -4.552 -2.921 406 HB2 ALA 53 2HB ALA 53 5.064 -6.301 -2.711 407 HB3 ALA 53 3HB ALA 53 5.018 -5.583 -4.340 408 H PHE 54 H PHE 54 3.058 -5.070 -5.720 409 HA PHE 54 HA PHE 54 2.994 -2.319 -6.073 410 HB2 PHE 54 1HB PHE 54 3.465 -3.880 -7.901 411 HB3 PHE 54 2HB PHE 54 1.987 -4.774 -7.606 412 HD1 PHE 54 1HD PHE 54 2.943 -1.242 -8.390 413 HD2 PHE 54 2HD PHE 54 0.335 -4.495 -9.176 414 HE1 PHE 54 1HE PHE 54 1.770 0.121 -10.141 415 HE2 PHE 54 2HE PHE 54 -0.838 -3.132 -10.927 416 HZ PHE 54 HZ PHE 54 -0.107 -0.840 -11.388 417 H GLN 55 H GLN 55 0.206 -4.630 -6.466 418 HA GLN 55 HA GLN 55 -1.754 -2.859 -6.762 419 HB2 GLN 55 1HB GLN 55 -1.825 -5.415 -5.101 420 HB3 GLN 55 2HB GLN 55 -3.258 -4.559 -5.635 421 HG2 GLN 55 1HG GLN 55 -1.190 -5.259 -7.715 422 HG3 GLN 55 2HG GLN 55 -2.176 -6.561 -7.079 423 HE21 GLN 55 1HE2 GLN 55 -4.495 -6.351 -7.156 424 HE22 GLN 55 2HE2 GLN 55 -5.256 -5.463 -8.434 425 H ARG 56 H ARG 56 -0.336 -3.924 -3.608 426 HA ARG 56 HA ARG 56 -2.018 -2.736 -1.904 427 HB2 ARG 56 1HB ARG 56 0.191 -4.067 -1.479 428 HB3 ARG 56 2HB ARG 56 1.004 -2.516 -1.553 429 HG2 ARG 56 1HG ARG 56 -0.021 -1.720 0.411 430 HG3 ARG 56 2HG ARG 56 -1.410 -2.775 0.244 431 HD2 ARG 56 1HD ARG 56 1.369 -3.904 0.769 432 HD3 ARG 56 2HD ARG 56 0.347 -3.359 2.084 433 HE ARG 56 HE ARG 56 0.003 -5.788 0.521 434 HH11 ARG 56 2HH2 ARG 56 -1.735 -3.344 2.363 435 HH12 ARG 56 1HH2 ARG 56 -3.066 -4.388 2.735 436 HH21 ARG 56 2HH1 ARG 56 -1.754 -7.165 1.011 437 HH22 ARG 56 1HH1 ARG 56 -3.077 -6.576 1.961 438 H LEU 57 H LEU 57 1.031 -1.184 -3.176 439 HA LEU 57 HA LEU 57 0.421 1.350 -2.165 440 HB2 LEU 57 1HB LEU 57 2.663 0.740 -2.669 441 HB3 LEU 57 2HB LEU 57 2.269 0.384 -4.340 442 HG LEU 57 HG LEU 57 3.515 2.575 -3.776 443 HD11 LEU 57 1HD1 LEU 57 1.417 1.997 -5.742 444 HD12 LEU 57 2HD1 LEU 57 1.715 3.735 -5.495 445 HD13 LEU 57 3HD1 LEU 57 3.055 2.660 -5.961 446 HD21 LEU 57 1HD2 LEU 57 1.865 4.495 -3.435 447 HD22 LEU 57 2HD2 LEU 57 0.718 3.256 -2.872 448 HD23 LEU 57 3HD2 LEU 57 2.262 3.495 -2.018 449 H ARG 58 H ARG 58 0.003 -0.086 -5.469 450 HA ARG 58 HA ARG 58 -0.936 2.048 -6.762 451 HB2 ARG 58 1HB ARG 58 -0.995 -0.788 -7.109 452 HB3 ARG 58 2HB ARG 58 -2.638 -0.246 -7.392 453 HG2 ARG 58 1HG ARG 58 -0.133 0.835 -8.767 454 HG3 ARG 58 2HG ARG 58 -1.335 -0.211 -9.496 455 HD2 ARG 58 1HD ARG 58 -2.624 2.140 -8.322 456 HD3 ARG 58 2HD ARG 58 -1.353 2.633 -9.423 457 HE ARG 58 HE ARG 58 -2.547 1.682 -11.233 458 HH11 ARG 58 2HH2 ARG 58 -4.062 0.833 -8.172 459 HH12 ARG 58 1HH2 ARG 58 -5.505 0.223 -8.910 460 HH21 ARG 58 2HH1 ARG 58 -4.451 0.877 -12.206 461 HH22 ARG 58 1HH1 ARG 58 -5.728 0.248 -11.220 462 H LYS 59 H LYS 59 -2.469 0.307 -4.118 463 HA LYS 59 HA LYS 59 -5.059 1.508 -4.676 464 HB2 LYS 59 1HB LYS 59 -5.302 -0.728 -4.058 465 HB3 LYS 59 2HB LYS 59 -4.058 -0.641 -2.827 466 HG2 LYS 59 1HG LYS 59 -5.479 0.713 -1.374 467 HG3 LYS 59 2HG LYS 59 -6.672 0.921 -2.640 468 HD2 LYS 59 1HD LYS 59 -7.683 -1.046 -2.120 469 HD3 LYS 59 2HD LYS 59 -6.168 -1.922 -2.224 470 HE2 LYS 59 1HE LYS 59 -5.690 -0.763 0.139 471 HE3 LYS 59 2HE LYS 59 -7.434 -0.606 0.188 472 HZ1 LYS 59 1HZ LYS 59 -7.362 -2.678 0.930 473 HZ2 LYS 59 2HZ LYS 59 -7.086 -3.139 -0.612 474 HZ3 LYS 59 3HZ LYS 59 -5.835 -2.948 0.419 475 H ILE 60 H ILE 60 -2.253 1.727 -2.476 476 HA ILE 60 HA ILE 60 -3.447 3.382 -0.568 477 HB ILE 60 HB ILE 60 -0.610 2.896 -1.437 478 HG12 ILE 60 1HG1 ILE 60 -2.211 2.096 1.011 479 HG13 ILE 60 2HG1 ILE 60 -1.737 1.049 -0.312 480 HG21 ILE 60 1HG2 ILE 60 -0.863 5.239 -0.599 481 HG22 ILE 60 2HG2 ILE 60 -1.445 4.569 0.944 482 HG23 ILE 60 3HG2 ILE 60 0.207 4.212 0.385 483 HD11 ILE 60 1HD1 ILE 60 0.161 0.602 0.843 484 HD12 ILE 60 2HD1 ILE 60 0.676 2.272 0.503 485 HD13 ILE 60 3HD1 ILE 60 -0.185 1.896 2.015 486 H GLU 61 H GLU 61 -1.675 4.092 -3.634 487 HA GLU 61 HA GLU 61 -1.565 6.804 -3.355 488 HB2 GLU 61 1HB GLU 61 -1.923 5.126 -5.876 489 HB3 GLU 61 2HB GLU 61 -1.495 6.825 -5.890 490 HG2 GLU 61 1HG GLU 61 0.123 4.708 -4.400 491 HG3 GLU 61 2HG GLU 61 0.474 5.200 -6.045 492 H ILE 62 H ILE 62 -4.268 4.696 -4.394 493 HA ILE 62 HA ILE 62 -5.913 6.697 -5.427 494 HB ILE 62 HB ILE 62 -6.580 4.055 -4.125 495 HG12 ILE 62 1HG1 ILE 62 -6.198 4.802 -7.040 496 HG13 ILE 62 2HG1 ILE 62 -5.069 3.884 -6.063 497 HG21 ILE 62 1HG2 ILE 62 -8.485 4.945 -6.097 498 HG22 ILE 62 2HG2 ILE 62 -8.742 4.469 -4.401 499 HG23 ILE 62 3HG2 ILE 62 -8.328 6.154 -4.800 500 HD11 ILE 62 1HD1 ILE 62 -7.963 3.021 -6.479 501 HD12 ILE 62 2HD1 ILE 62 -6.624 2.485 -7.523 502 HD13 ILE 62 3HD1 ILE 62 -6.632 2.057 -5.795 503 H LEU 63 H LEU 63 -6.009 5.128 -2.145 504 HA LEU 63 HA LEU 63 -7.893 6.800 -1.058 505 HB2 LEU 63 1HB LEU 63 -5.544 5.436 0.263 506 HB3 LEU 63 2HB LEU 63 -6.894 6.152 1.119 507 HG LEU 63 HG LEU 63 -7.401 4.034 -0.953 508 HD11 LEU 63 1HD1 LEU 63 -6.666 3.454 1.928 509 HD12 LEU 63 2HD1 LEU 63 -7.149 2.276 0.685 510 HD13 LEU 63 3HD1 LEU 63 -5.615 3.163 0.521 511 HD21 LEU 63 1HD2 LEU 63 -9.328 5.217 -0.091 512 HD22 LEU 63 2HD2 LEU 63 -9.331 3.541 0.508 513 HD23 LEU 63 3HD2 LEU 63 -8.833 4.870 1.583 514 H THR 64 H THR 64 -4.283 7.118 -0.730 515 HA THR 64 HA THR 64 -4.716 10.025 -0.571 516 HB THR 64 HB THR 64 -2.949 8.217 1.155 517 HG1 THR 64 1HG THR 64 -5.144 10.133 1.516 518 HG21 THR 64 1HG2 THR 64 -2.854 10.721 2.286 519 HG22 THR 64 2HG2 THR 64 -1.574 10.083 1.227 520 HG23 THR 64 3HG2 THR 64 -2.832 11.150 0.559 521 HA PRO 65 HA PRO 65 -1.911 9.711 -3.892 522 HB2 PRO 65 1HB PRO 65 -2.253 12.255 -4.830 523 HB3 PRO 65 2HB PRO 65 -3.273 10.912 -5.308 524 HG2 PRO 65 1HG PRO 65 -3.879 13.132 -3.452 525 HG3 PRO 65 2HG PRO 65 -4.989 12.044 -4.262 526 HD2 PRO 65 1HD PRO 65 -4.184 11.941 -1.511 527 HD3 PRO 65 2HD PRO 65 -5.202 10.786 -2.349 528 H GLU 66 H GLU 66 -0.344 11.809 -4.811 529 HA GLU 66 HA GLU 66 1.274 12.163 -2.411 530 HB2 GLU 66 1HB GLU 66 1.938 11.523 -5.258 531 HB3 GLU 66 2HB GLU 66 3.041 12.611 -4.439 532 HG2 GLU 66 1HG GLU 66 2.290 10.324 -2.737 533 HG3 GLU 66 2HG GLU 66 3.018 9.804 -4.244 534 H VAL 67 H VAL 67 1.438 14.224 -1.643 535 HA VAL 67 HA VAL 67 0.159 16.361 -2.846 536 HB VAL 67 HB VAL 67 2.348 16.183 -0.775 537 HG11 VAL 67 1HG1 VAL 67 0.795 18.607 -1.727 538 HG12 VAL 67 2HG1 VAL 67 1.641 18.534 -0.162 539 HG13 VAL 67 3HG1 VAL 67 2.560 18.383 -1.679 540 HG21 VAL 67 1HG2 VAL 67 0.647 15.468 0.491 541 HG22 VAL 67 2HG2 VAL 67 -0.013 17.118 0.380 542 HG23 VAL 67 3HG2 VAL 67 -0.551 15.865 -0.764 543 H ASN 68 H ASN 68 3.732 15.702 -2.640 544 HA ASN 68 HA ASN 68 4.075 16.502 -5.310 545 HB2 ASN 68 1HB ASN 68 4.346 18.547 -3.190 546 HB3 ASN 68 2HB ASN 68 5.827 18.366 -4.109 547 HD21 ASN 68 1HD2 ASN 68 4.479 20.695 -4.213 548 HD22 ASN 68 2HD2 ASN 68 3.735 20.939 -5.758 549 H LYS 69 H LYS 69 6.227 15.870 -6.013 550 HA LYS 69 HA LYS 69 7.532 14.032 -4.314 551 HB2 LYS 69 1HB LYS 69 7.346 13.982 -6.853 552 HB3 LYS 69 2HB LYS 69 8.595 15.210 -6.891 553 HG2 LYS 69 1HG LYS 69 9.094 12.754 -5.212 554 HG3 LYS 69 2HG LYS 69 9.186 12.583 -6.954 555 HD2 LYS 69 1HD LYS 69 10.693 14.756 -5.433 556 HD3 LYS 69 2HD LYS 69 11.384 13.180 -5.760 557 HE2 LYS 69 1HE LYS 69 10.705 13.680 -8.270 558 HE3 LYS 69 2HE LYS 69 10.615 15.347 -7.738 559 HZ1 LYS 69 1HZ LYS 69 12.944 14.498 -6.706 560 HZ2 LYS 69 2HZ LYS 69 12.906 13.716 -8.139 561 HZ3 LYS 69 3HZ LYS 69 12.785 15.344 -8.094 562 H GLY 70 H GLY 70 9.464 14.183 -3.156 563 HA2 GLY 70 1HA GLY 70 11.536 15.529 -2.915 564 HA3 GLY 70 2HA GLY 70 10.499 16.939 -2.848 565 H SER 71 H SER 71 9.549 17.551 -0.905 566 HA SER 71 HA SER 71 10.014 15.692 1.294 567 HB2 SER 71 1HB SER 71 10.098 18.730 1.193 568 HB3 SER 71 2HB SER 71 9.963 17.863 2.710 569 HG SER 71 HG SER 71 12.141 18.048 2.494 570 H GLY 72 H GLY 72 7.933 18.500 0.263 571 HA2 GLY 72 1HA GLY 72 5.497 17.407 0.233 572 HA3 GLY 72 2HA GLY 72 5.764 17.569 1.957 573 HA PRO 73 HA PRO 73 4.177 21.571 0.584 574 HB2 PRO 73 1HB PRO 73 2.216 21.833 2.470 575 HB3 PRO 73 2HB PRO 73 1.932 21.156 0.879 576 HG2 PRO 73 1HG PRO 73 2.144 19.760 3.476 577 HG3 PRO 73 2HG PRO 73 1.452 19.183 1.973 578 HD2 PRO 73 1HD PRO 73 4.005 18.474 3.071 579 HD3 PRO 73 2HD PRO 73 3.363 17.988 1.515 580 H SER 74 H SER 74 4.352 20.663 3.998 581 HA SER 74 HA SER 74 6.140 22.933 4.293 582 HB2 SER 74 1HB SER 74 3.801 23.535 5.060 583 HB3 SER 74 2HB SER 74 3.904 22.257 6.255 584 HG SER 74 HG SER 74 4.506 24.213 7.255 585 H SER 75 H SER 75 7.654 22.703 6.126 586 HA SER 75 HA SER 75 8.469 20.042 6.427 587 HB2 SER 75 1HB SER 75 10.163 21.036 8.013 588 HB3 SER 75 2HB SER 75 10.123 21.804 6.438 589 HG SER 75 HG SER 75 9.825 22.976 8.834 590 H GLY 76 H GLY 76 7.698 18.527 7.850 591 HA2 GLY 76 1HA GLY 76 7.447 18.492 10.453 592 HA3 GLY 76 2HA GLY 76 6.028 19.447 10.076 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -17.348 56.527 -35.412 2 HA2 GLY 1 1HA GLY 1 -19.082 54.800 -34.864 3 HA3 GLY 1 2HA GLY 1 -19.009 54.366 -36.560 4 H SER 2 H SER 2 -17.827 53.612 -33.497 5 HA SER 2 HA SER 2 -16.086 51.700 -34.509 6 HB2 SER 2 1HB SER 2 -14.721 53.912 -34.741 7 HB3 SER 2 2HB SER 2 -14.598 53.871 -32.993 8 HG SER 2 HG SER 2 -13.568 51.793 -33.135 9 H SER 3 H SER 3 -16.471 50.078 -33.049 10 HA SER 3 HA SER 3 -16.702 50.899 -30.259 11 HB2 SER 3 1HB SER 3 -18.397 49.096 -31.942 12 HB3 SER 3 2HB SER 3 -18.089 48.549 -30.306 13 HG SER 3 HG SER 3 -18.697 51.048 -29.907 14 H GLY 4 H GLY 4 -16.235 47.915 -32.306 15 HA2 GLY 4 1HA GLY 4 -14.648 46.319 -32.247 16 HA3 GLY 4 2HA GLY 4 -13.636 47.396 -31.305 17 H SER 5 H SER 5 -15.187 44.437 -31.243 18 HA SER 5 HA SER 5 -14.570 43.955 -28.616 19 HB2 SER 5 1HB SER 5 -16.855 43.745 -27.604 20 HB3 SER 5 2HB SER 5 -16.408 45.403 -27.954 21 HG SER 5 HG SER 5 -18.639 44.345 -28.677 22 H SER 6 H SER 6 -14.361 41.732 -28.483 23 HA SER 6 HA SER 6 -16.253 39.983 -29.516 24 HB2 SER 6 1HB SER 6 -15.340 40.691 -31.712 25 HB3 SER 6 2HB SER 6 -13.721 40.264 -31.195 26 HG SER 6 HG SER 6 -15.211 38.081 -30.749 27 H GLY 7 H GLY 7 -15.812 37.820 -28.795 28 HA2 GLY 7 1HA GLY 7 -14.294 36.156 -28.054 29 HA3 GLY 7 2HA GLY 7 -13.199 37.404 -27.495 30 H THR 8 H THR 8 -15.014 35.036 -26.288 31 HA THR 8 HA THR 8 -15.161 36.104 -23.711 32 HB THR 8 HB THR 8 -17.026 37.456 -24.716 33 HG1 THR 8 1HG THR 8 -17.255 36.808 -22.512 34 HG21 THR 8 1HG2 THR 8 -18.722 34.973 -24.850 35 HG22 THR 8 2HG2 THR 8 -18.883 36.498 -25.753 36 HG23 THR 8 3HG2 THR 8 -17.666 35.296 -26.246 37 H SER 9 H SER 9 -14.333 34.271 -22.869 38 HA SER 9 HA SER 9 -16.049 32.101 -22.573 39 HB2 SER 9 1HB SER 9 -14.907 30.372 -23.846 40 HB3 SER 9 2HB SER 9 -15.358 31.662 -24.943 41 HG SER 9 HG SER 9 -13.285 32.117 -25.329 42 H SER 10 H SER 10 -15.231 30.637 -20.945 43 HA SER 10 HA SER 10 -12.605 30.442 -20.212 44 HB2 SER 10 1HB SER 10 -12.572 32.758 -19.549 45 HB3 SER 10 2HB SER 10 -14.116 32.627 -18.732 46 HG SER 10 HG SER 10 -11.588 32.124 -17.763 47 H ASN 11 H ASN 11 -12.511 28.598 -18.949 48 HA ASN 11 HA ASN 11 -14.143 28.098 -16.812 49 HB2 ASN 11 1HB ASN 11 -15.982 27.847 -18.488 50 HB3 ASN 11 2HB ASN 11 -15.039 26.659 -19.366 51 HD21 ASN 11 1HD2 ASN 11 -17.073 25.453 -18.961 52 HD22 ASN 11 2HD2 ASN 11 -17.198 24.495 -17.523 53 HA PRO 12 HA PRO 12 -10.576 25.389 -17.367 54 HB2 PRO 12 1HB PRO 12 -9.626 25.570 -14.811 55 HB3 PRO 12 2HB PRO 12 -9.123 26.647 -16.099 56 HG2 PRO 12 1HG PRO 12 -10.958 27.185 -13.845 57 HG3 PRO 12 2HG PRO 12 -10.120 28.328 -14.875 58 HD2 PRO 12 1HD PRO 12 -12.892 27.605 -15.014 59 HD3 PRO 12 2HD PRO 12 -12.028 28.659 -16.115 60 H VAL 13 H VAL 13 -12.706 25.359 -14.564 61 HA VAL 13 HA VAL 13 -13.563 23.671 -13.412 62 HB VAL 13 HB VAL 13 -14.687 23.561 -15.677 63 HG11 VAL 13 1HG1 VAL 13 -14.182 21.233 -16.793 64 HG12 VAL 13 2HG1 VAL 13 -13.187 22.656 -17.187 65 HG13 VAL 13 3HG1 VAL 13 -12.587 21.442 -16.032 66 HG21 VAL 13 1HG2 VAL 13 -16.100 21.955 -14.897 67 HG22 VAL 13 2HG2 VAL 13 -14.785 20.806 -14.550 68 HG23 VAL 13 3HG2 VAL 13 -15.115 22.148 -13.428 69 H LEU 14 H LEU 14 -13.396 21.058 -13.099 70 HA LEU 14 HA LEU 14 -10.539 20.410 -13.289 71 HB2 LEU 14 1HB LEU 14 -12.223 19.649 -10.922 72 HB3 LEU 14 2HB LEU 14 -10.478 19.634 -11.085 73 HG LEU 14 HG LEU 14 -11.261 22.321 -11.477 74 HD11 LEU 14 1HD1 LEU 14 -12.554 22.887 -9.532 75 HD12 LEU 14 2HD1 LEU 14 -13.446 21.672 -10.479 76 HD13 LEU 14 3HD1 LEU 14 -12.584 21.189 -8.998 77 HD21 LEU 14 1HD2 LEU 14 -9.800 22.768 -9.722 78 HD22 LEU 14 2HD2 LEU 14 -10.179 21.245 -8.882 79 HD23 LEU 14 3HD2 LEU 14 -9.203 21.221 -10.371 80 H GLU 15 H GLU 15 -11.321 17.848 -11.761 81 HA GLU 15 HA GLU 15 -13.236 16.487 -13.169 82 HB2 GLU 15 1HB GLU 15 -11.035 16.966 -14.841 83 HB3 GLU 15 2HB GLU 15 -10.767 15.328 -14.279 84 HG2 GLU 15 1HG GLU 15 -13.217 14.835 -14.899 85 HG3 GLU 15 2HG GLU 15 -13.255 16.405 -15.678 86 H LEU 16 H LEU 16 -13.550 14.443 -12.222 87 HA LEU 16 HA LEU 16 -11.388 13.538 -10.456 88 HB2 LEU 16 1HB LEU 16 -12.961 13.030 -8.732 89 HB3 LEU 16 2HB LEU 16 -13.077 14.727 -9.153 90 HG LEU 16 HG LEU 16 -14.977 12.840 -10.480 91 HD11 LEU 16 1HD1 LEU 16 -16.469 12.719 -8.637 92 HD12 LEU 16 2HD1 LEU 16 -14.878 12.181 -8.049 93 HD13 LEU 16 3HD1 LEU 16 -15.465 13.816 -7.659 94 HD21 LEU 16 1HD2 LEU 16 -14.667 15.673 -10.146 95 HD22 LEU 16 2HD2 LEU 16 -15.827 14.773 -11.152 96 HD23 LEU 16 3HD2 LEU 16 -16.229 15.163 -9.462 97 H GLU 17 H GLU 17 -13.582 11.408 -9.684 98 HA GLU 17 HA GLU 17 -13.819 9.299 -10.197 99 HB2 GLU 17 1HB GLU 17 -14.657 10.685 -12.759 100 HB3 GLU 17 2HB GLU 17 -14.758 8.941 -12.624 101 HG2 GLU 17 1HG GLU 17 -16.303 9.064 -10.777 102 HG3 GLU 17 2HG GLU 17 -15.973 10.764 -10.511 103 H LEU 18 H LEU 18 -11.790 8.321 -10.004 104 HA LEU 18 HA LEU 18 -10.353 8.001 -12.543 105 HB2 LEU 18 1HB LEU 18 -9.441 9.493 -10.426 106 HB3 LEU 18 2HB LEU 18 -8.710 7.931 -10.115 107 HG LEU 18 HG LEU 18 -8.473 8.941 -12.898 108 HD11 LEU 18 1HD1 LEU 18 -7.189 10.756 -12.551 109 HD12 LEU 18 2HD1 LEU 18 -8.065 10.833 -11.003 110 HD13 LEU 18 3HD1 LEU 18 -6.449 10.090 -11.075 111 HD21 LEU 18 1HD2 LEU 18 -7.493 6.794 -12.037 112 HD22 LEU 18 2HD2 LEU 18 -6.332 7.898 -12.814 113 HD23 LEU 18 3HD2 LEU 18 -6.391 7.773 -11.039 114 H ALA 19 H ALA 19 -9.176 5.955 -12.737 115 HA ALA 19 HA ALA 19 -9.339 3.956 -10.789 116 HB1 ALA 19 1HB ALA 19 -11.055 2.505 -11.882 117 HB2 ALA 19 2HB ALA 19 -11.744 4.002 -11.209 118 HB3 ALA 19 3HB ALA 19 -11.471 3.857 -12.962 119 H GLU 20 H GLU 20 -7.168 3.665 -11.406 120 HA GLU 20 HA GLU 20 -6.808 2.836 -14.174 121 HB2 GLU 20 1HB GLU 20 -5.453 4.794 -13.136 122 HB3 GLU 20 2HB GLU 20 -4.589 3.568 -12.230 123 HG2 GLU 20 1HG GLU 20 -3.311 3.985 -14.240 124 HG3 GLU 20 2HG GLU 20 -4.051 2.407 -14.426 125 H GLU 21 H GLU 21 -8.041 0.881 -12.822 126 HA GLU 21 HA GLU 21 -5.984 -0.789 -11.657 127 HB2 GLU 21 1HB GLU 21 -9.021 -0.986 -11.727 128 HB3 GLU 21 2HB GLU 21 -8.011 -2.278 -11.109 129 HG2 GLU 21 1HG GLU 21 -7.765 -1.204 -9.128 130 HG3 GLU 21 2HG GLU 21 -7.119 0.213 -9.932 131 H LYS 22 H LYS 22 -5.844 -0.240 -14.496 132 HA LYS 22 HA LYS 22 -6.347 -2.954 -15.487 133 HB2 LYS 22 1HB LYS 22 -7.677 -0.620 -16.353 134 HB3 LYS 22 2HB LYS 22 -6.506 -0.987 -17.603 135 HG2 LYS 22 1HG LYS 22 -7.411 -3.148 -18.006 136 HG3 LYS 22 2HG LYS 22 -8.205 -3.216 -16.446 137 HD2 LYS 22 1HD LYS 22 -9.367 -0.959 -17.616 138 HD3 LYS 22 2HD LYS 22 -9.152 -2.027 -18.988 139 HE2 LYS 22 1HE LYS 22 -10.170 -3.506 -16.667 140 HE3 LYS 22 2HE LYS 22 -11.212 -2.149 -17.046 141 HZ1 LYS 22 1HZ LYS 22 -10.732 -4.524 -18.546 142 HZ2 LYS 22 2HZ LYS 22 -12.016 -3.515 -18.577 143 HZ3 LYS 22 3HZ LYS 22 -10.686 -3.171 -19.459 144 H LEU 23 H LEU 23 -5.048 -2.985 -17.829 145 HA LEU 23 HA LEU 23 -3.061 -3.059 -18.788 146 HB2 LEU 23 1HB LEU 23 -3.269 -0.428 -17.797 147 HB3 LEU 23 2HB LEU 23 -1.639 -0.957 -17.432 148 HG LEU 23 HG LEU 23 -1.867 -1.775 -20.029 149 HD11 LEU 23 1HD1 LEU 23 -3.700 0.573 -19.640 150 HD12 LEU 23 2HD1 LEU 23 -2.788 0.379 -21.156 151 HD13 LEU 23 3HD1 LEU 23 -3.919 -0.891 -20.629 152 HD21 LEU 23 1HD2 LEU 23 -0.244 -0.211 -20.485 153 HD22 LEU 23 2HD2 LEU 23 -1.016 1.048 -19.491 154 HD23 LEU 23 3HD2 LEU 23 -0.149 -0.296 -18.709 155 HA PRO 24 HA PRO 24 -0.421 -5.226 -16.147 156 HB2 PRO 24 1HB PRO 24 2.058 -4.978 -17.272 157 HB3 PRO 24 2HB PRO 24 0.833 -6.073 -17.883 158 HG2 PRO 24 1HG PRO 24 1.729 -3.485 -18.998 159 HG3 PRO 24 2HG PRO 24 0.841 -4.773 -19.789 160 HD2 PRO 24 1HD PRO 24 -0.228 -2.292 -18.825 161 HD3 PRO 24 2HD PRO 24 -1.133 -3.628 -19.510 162 H MET 25 H MET 25 1.988 -5.162 -15.054 163 HA MET 25 HA MET 25 1.668 -3.344 -13.048 164 HB2 MET 25 1HB MET 25 3.627 -5.300 -13.946 165 HB3 MET 25 2HB MET 25 4.493 -3.870 -13.421 166 HG2 MET 25 1HG MET 25 2.842 -3.997 -11.327 167 HG3 MET 25 2HG MET 25 2.662 -5.670 -11.816 168 HE1 MET 25 1HE MET 25 4.461 -7.456 -10.460 169 HE2 MET 25 2HE MET 25 4.345 -7.230 -12.222 170 HE3 MET 25 3HE MET 25 5.942 -7.313 -11.438 171 H THR 26 H THR 26 1.504 -1.148 -13.339 172 HA THR 26 HA THR 26 3.145 0.149 -15.341 173 HB THR 26 HB THR 26 1.756 2.124 -14.663 174 HG1 THR 26 1HG THR 26 0.472 1.859 -12.795 175 HG21 THR 26 1HG2 THR 26 0.781 -0.025 -16.027 176 HG22 THR 26 2HG2 THR 26 -0.264 -0.104 -14.588 177 HG23 THR 26 3HG2 THR 26 -0.242 1.365 -15.592 178 H LEU 27 H LEU 27 2.792 0.149 -11.745 179 HA LEU 27 HA LEU 27 5.257 1.712 -11.624 180 HB2 LEU 27 1HB LEU 27 3.506 0.989 -9.294 181 HB3 LEU 27 2HB LEU 27 4.653 2.304 -9.443 182 HG LEU 27 HG LEU 27 2.178 2.195 -11.163 183 HD11 LEU 27 1HD1 LEU 27 1.254 3.840 -9.384 184 HD12 LEU 27 2HD1 LEU 27 1.149 2.088 -9.088 185 HD13 LEU 27 3HD1 LEU 27 2.416 3.050 -8.290 186 HD21 LEU 27 1HD2 LEU 27 2.595 4.780 -10.816 187 HD22 LEU 27 2HD2 LEU 27 4.254 4.233 -10.475 188 HD23 LEU 27 3HD2 LEU 27 3.494 3.849 -12.038 189 H SER 28 H SER 28 7.102 0.549 -11.616 190 HA SER 28 HA SER 28 7.103 -2.177 -11.025 191 HB2 SER 28 1HB SER 28 9.452 -0.232 -11.122 192 HB3 SER 28 2HB SER 28 9.572 -1.977 -11.215 193 HG SER 28 HG SER 28 8.045 -1.718 -13.154 194 H ARG 29 H ARG 29 8.729 -3.120 -9.303 195 HA ARG 29 HA ARG 29 7.794 -2.823 -6.872 196 HB2 ARG 29 1HB ARG 29 10.290 -3.363 -6.106 197 HB3 ARG 29 2HB ARG 29 9.391 -4.528 -7.058 198 HG2 ARG 29 1HG ARG 29 10.974 -4.427 -8.673 199 HG3 ARG 29 2HG ARG 29 10.600 -2.734 -8.930 200 HD2 ARG 29 1HD ARG 29 12.117 -2.412 -6.734 201 HD3 ARG 29 2HD ARG 29 12.773 -3.960 -7.227 202 HE ARG 29 HE ARG 29 12.786 -2.476 -9.575 203 HH11 ARG 29 2HH2 ARG 29 14.096 -1.984 -6.346 204 HH12 ARG 29 1HH2 ARG 29 15.428 -1.023 -6.895 205 HH21 ARG 29 2HH1 ARG 29 14.544 -1.208 -10.299 206 HH22 ARG 29 1HH1 ARG 29 15.685 -0.578 -9.158 207 H GLN 30 H GLN 30 10.856 -1.132 -7.918 208 HA GLN 30 HA GLN 30 11.165 0.414 -5.724 209 HB2 GLN 30 1HB GLN 30 12.516 0.128 -8.043 210 HB3 GLN 30 2HB GLN 30 11.755 1.667 -8.391 211 HG2 GLN 30 1HG GLN 30 12.654 2.021 -5.770 212 HG3 GLN 30 2HG GLN 30 13.917 1.029 -6.470 213 HE21 GLN 30 1HE2 GLN 30 12.646 4.117 -6.139 214 HE22 GLN 30 2HE2 GLN 30 13.586 4.965 -7.321 215 H GLU 31 H GLU 31 9.179 1.095 -8.667 216 HA GLU 31 HA GLU 31 8.475 3.665 -7.982 217 HB2 GLU 31 1HB GLU 31 8.107 2.349 -10.189 218 HB3 GLU 31 2HB GLU 31 6.644 1.731 -9.449 219 HG2 GLU 31 1HG GLU 31 6.165 3.747 -10.814 220 HG3 GLU 31 2HG GLU 31 5.787 4.029 -9.126 221 H VAL 32 H VAL 32 7.472 0.572 -6.666 222 HA VAL 32 HA VAL 32 5.128 1.768 -5.414 223 HB VAL 32 HB VAL 32 6.189 -1.034 -5.716 224 HG11 VAL 32 1HG1 VAL 32 5.202 -1.678 -3.824 225 HG12 VAL 32 2HG1 VAL 32 4.651 -0.015 -3.509 226 HG13 VAL 32 3HG1 VAL 32 3.641 -1.120 -4.472 227 HG21 VAL 32 1HG2 VAL 32 3.383 -0.306 -6.362 228 HG22 VAL 32 2HG2 VAL 32 4.641 0.420 -7.391 229 HG23 VAL 32 3HG2 VAL 32 4.531 -1.350 -7.233 230 H ILE 33 H ILE 33 8.431 0.603 -4.757 231 HA ILE 33 HA ILE 33 8.149 0.583 -1.943 232 HB ILE 33 HB ILE 33 10.505 0.632 -3.819 233 HG12 ILE 33 1HG1 ILE 33 9.903 -1.620 -1.962 234 HG13 ILE 33 2HG1 ILE 33 8.810 -1.393 -3.312 235 HG21 ILE 33 1HG2 ILE 33 11.895 1.162 -2.177 236 HG22 ILE 33 2HG2 ILE 33 10.511 1.425 -1.089 237 HG23 ILE 33 3HG2 ILE 33 11.272 -0.181 -1.190 238 HD11 ILE 33 1HD1 ILE 33 10.702 -1.459 -4.904 239 HD12 ILE 33 2HD1 ILE 33 11.847 -1.610 -3.550 240 HD13 ILE 33 3HD1 ILE 33 10.692 -2.921 -3.889 241 H ARG 34 H ARG 34 9.018 3.042 -4.394 242 HA ARG 34 HA ARG 34 10.111 4.903 -2.742 243 HB2 ARG 34 1HB ARG 34 9.884 4.974 -5.292 244 HB3 ARG 34 2HB ARG 34 8.226 5.499 -5.076 245 HG2 ARG 34 1HG ARG 34 9.032 7.481 -3.765 246 HG3 ARG 34 2HG ARG 34 10.688 6.959 -4.005 247 HD2 ARG 34 1HD ARG 34 8.981 7.249 -6.469 248 HD3 ARG 34 2HD ARG 34 9.468 8.726 -5.662 249 HE ARG 34 HE ARG 34 11.844 7.370 -5.794 250 HH11 ARG 34 2HH2 ARG 34 9.386 8.046 -8.219 251 HH12 ARG 34 1HH2 ARG 34 10.509 8.059 -9.538 252 HH21 ARG 34 2HH1 ARG 34 13.326 7.387 -7.533 253 HH22 ARG 34 1HH1 ARG 34 12.765 7.682 -9.145 254 H ARG 35 H ARG 35 6.684 5.022 -3.987 255 HA ARG 35 HA ARG 35 5.803 6.936 -2.309 256 HB2 ARG 35 1HB ARG 35 4.379 4.532 -3.528 257 HB3 ARG 35 2HB ARG 35 3.498 5.730 -2.603 258 HG2 ARG 35 1HG ARG 35 3.544 7.233 -4.313 259 HG3 ARG 35 2HG ARG 35 5.265 7.015 -4.561 260 HD2 ARG 35 1HD ARG 35 4.945 5.168 -6.047 261 HD3 ARG 35 2HD ARG 35 3.305 4.889 -5.497 262 HE ARG 35 HE ARG 35 2.552 6.513 -7.002 263 HH11 ARG 35 2HH2 ARG 35 6.009 6.934 -6.500 264 HH12 ARG 35 1HH2 ARG 35 6.169 8.147 -7.726 265 HH21 ARG 35 2HH1 ARG 35 2.762 8.113 -8.620 266 HH22 ARG 35 1HH1 ARG 35 4.310 8.822 -8.940 267 H LEU 36 H LEU 36 5.301 3.350 -1.849 268 HA LEU 36 HA LEU 36 4.146 3.304 0.561 269 HB2 LEU 36 1HB LEU 36 6.320 1.520 -0.529 270 HB3 LEU 36 2HB LEU 36 5.437 1.166 0.943 271 HG LEU 36 HG LEU 36 4.181 1.495 -1.796 272 HD11 LEU 36 1HD1 LEU 36 4.769 -1.030 -0.225 273 HD12 LEU 36 2HD1 LEU 36 3.880 -0.934 -1.764 274 HD13 LEU 36 3HD1 LEU 36 5.602 -0.490 -1.702 275 HD21 LEU 36 1HD2 LEU 36 2.475 2.044 -0.339 276 HD22 LEU 36 2HD2 LEU 36 2.259 0.286 -0.520 277 HD23 LEU 36 3HD2 LEU 36 3.055 0.940 0.932 278 H ARG 37 H ARG 37 7.764 3.145 0.198 279 HA ARG 37 HA ARG 37 8.413 3.389 2.764 280 HB2 ARG 37 1HB ARG 37 9.688 4.353 0.209 281 HB3 ARG 37 2HB ARG 37 10.398 4.919 1.708 282 HG2 ARG 37 1HG ARG 37 10.367 2.411 2.449 283 HG3 ARG 37 2HG ARG 37 10.078 2.047 0.759 284 HD2 ARG 37 1HD ARG 37 12.176 3.021 0.077 285 HD3 ARG 37 2HD ARG 37 12.394 3.830 1.615 286 HE ARG 37 HE ARG 37 12.198 0.968 1.999 287 HH11 ARG 37 2HH2 ARG 37 14.407 3.488 0.925 288 HH12 ARG 37 1HH2 ARG 37 15.832 2.588 1.327 289 HH21 ARG 37 2HH1 ARG 37 14.077 -0.219 2.530 290 HH22 ARG 37 1HH1 ARG 37 15.642 0.465 2.246 291 H GLU 38 H GLU 38 7.890 6.161 0.461 292 HA GLU 38 HA GLU 38 8.351 8.175 2.239 293 HB2 GLU 38 1HB GLU 38 6.847 7.874 -0.322 294 HB3 GLU 38 2HB GLU 38 6.429 9.283 0.633 295 HG2 GLU 38 1HG GLU 38 9.345 8.866 0.513 296 HG3 GLU 38 2HG GLU 38 8.645 9.030 -1.085 297 H ARG 39 H ARG 39 5.407 6.200 1.704 298 HA ARG 39 HA ARG 39 3.815 7.841 3.356 299 HB2 ARG 39 1HB ARG 39 3.316 4.927 2.578 300 HB3 ARG 39 2HB ARG 39 2.109 6.100 3.069 301 HG2 ARG 39 1HG ARG 39 3.559 7.259 0.874 302 HG3 ARG 39 2HG ARG 39 3.179 5.610 0.420 303 HD2 ARG 39 1HD ARG 39 1.068 6.292 -0.068 304 HD3 ARG 39 2HD ARG 39 0.809 6.575 1.642 305 HE ARG 39 HE ARG 39 1.393 8.607 -0.404 306 HH11 ARG 39 2HH2 ARG 39 1.308 7.877 3.037 307 HH12 ARG 39 1HH2 ARG 39 1.201 9.537 3.517 308 HH21 ARG 39 2HH1 ARG 39 1.252 10.798 0.228 309 HH22 ARG 39 1HH1 ARG 39 1.169 11.210 1.909 310 H GLY 40 H GLY 40 6.225 5.412 3.888 311 HA2 GLY 40 1HA GLY 40 7.108 4.852 5.941 312 HA3 GLY 40 2HA GLY 40 5.659 5.423 6.745 313 H GLU 41 H GLU 41 4.882 3.504 3.991 314 HA GLU 41 HA GLU 41 3.959 1.435 5.727 315 HB2 GLU 41 1HB GLU 41 3.796 1.529 2.688 316 HB3 GLU 41 2HB GLU 41 2.792 0.588 3.774 317 HG2 GLU 41 1HG GLU 41 2.728 3.436 4.486 318 HG3 GLU 41 2HG GLU 41 2.267 3.198 2.812 319 HA PRO 42 HA PRO 42 7.143 -1.404 4.936 320 HB2 PRO 42 1HB PRO 42 5.872 -3.817 5.118 321 HB3 PRO 42 2HB PRO 42 6.353 -2.879 6.518 322 HG2 PRO 42 1HG PRO 42 3.652 -3.249 5.374 323 HG3 PRO 42 2HG PRO 42 4.100 -2.689 6.973 324 HD2 PRO 42 1HD PRO 42 3.183 -1.077 4.784 325 HD3 PRO 42 2HD PRO 42 3.740 -0.506 6.344 326 H ILE 43 H ILE 43 8.299 -1.619 3.138 327 HA ILE 43 HA ILE 43 7.092 -1.694 0.661 328 HB ILE 43 HB ILE 43 9.292 -2.296 -0.184 329 HG12 ILE 43 1HG1 ILE 43 10.273 -2.564 2.659 330 HG13 ILE 43 2HG1 ILE 43 9.718 -3.953 1.746 331 HG21 ILE 43 1HG2 ILE 43 9.019 -0.188 1.933 332 HG22 ILE 43 2HG2 ILE 43 10.589 -0.453 1.137 333 HG23 ILE 43 3HG2 ILE 43 9.160 -0.021 0.166 334 HD11 ILE 43 1HD1 ILE 43 12.178 -2.303 1.385 335 HD12 ILE 43 2HD1 ILE 43 11.912 -4.035 1.071 336 HD13 ILE 43 3HD1 ILE 43 11.372 -2.822 -0.114 337 H ARG 44 H ARG 44 7.950 -4.323 2.922 338 HA ARG 44 HA ARG 44 6.492 -6.086 1.140 339 HB2 ARG 44 1HB ARG 44 8.985 -6.480 0.910 340 HB3 ARG 44 2HB ARG 44 9.059 -6.851 2.621 341 HG2 ARG 44 1HG ARG 44 8.912 -8.941 1.337 342 HG3 ARG 44 2HG ARG 44 7.455 -8.738 2.290 343 HD2 ARG 44 1HD ARG 44 6.112 -8.411 0.431 344 HD3 ARG 44 2HD ARG 44 7.353 -7.547 -0.453 345 HE ARG 44 HE ARG 44 6.852 -10.413 -0.531 346 HH11 ARG 44 2HH2 ARG 44 9.359 -7.969 -0.886 347 HH12 ARG 44 1HH2 ARG 44 10.356 -8.956 -1.901 348 HH21 ARG 44 2HH1 ARG 44 8.167 -11.716 -1.871 349 HH22 ARG 44 1HH1 ARG 44 9.673 -11.102 -2.466 350 H LEU 45 H LEU 45 4.659 -6.524 2.348 351 HA LEU 45 HA LEU 45 4.713 -6.459 5.186 352 HB2 LEU 45 1HB LEU 45 2.712 -6.930 3.042 353 HB3 LEU 45 2HB LEU 45 2.349 -7.588 4.625 354 HG LEU 45 HG LEU 45 2.931 -5.160 5.460 355 HD11 LEU 45 1HD1 LEU 45 2.119 -3.477 3.734 356 HD12 LEU 45 2HD1 LEU 45 3.749 -4.152 3.493 357 HD13 LEU 45 3HD1 LEU 45 2.385 -4.749 2.518 358 HD21 LEU 45 1HD2 LEU 45 0.587 -6.561 4.921 359 HD22 LEU 45 2HD2 LEU 45 0.752 -5.081 5.897 360 HD23 LEU 45 3HD2 LEU 45 0.332 -4.967 4.170 361 H PHE 46 H PHE 46 3.507 -9.192 3.145 362 HA PHE 46 HA PHE 46 5.426 -11.010 4.133 363 HB2 PHE 46 1HB PHE 46 3.758 -10.462 6.107 364 HB3 PHE 46 2HB PHE 46 2.549 -11.305 5.158 365 HD1 PHE 46 1HD PHE 46 3.422 -13.711 4.283 366 HD2 PHE 46 2HD PHE 46 4.820 -11.683 7.738 367 HE1 PHE 46 1HE PHE 46 4.180 -15.895 5.258 368 HE2 PHE 46 2HE PHE 46 5.579 -13.868 8.713 369 HZ PHE 46 HZ PHE 46 5.250 -15.948 7.461 370 H GLY 47 H GLY 47 5.653 -11.919 2.111 371 HA2 GLY 47 1HA GLY 47 5.062 -13.562 0.607 372 HA3 GLY 47 2HA GLY 47 3.389 -13.463 1.121 373 H GLU 48 H GLU 48 3.390 -10.429 0.948 374 HA GLU 48 HA GLU 48 2.220 -10.096 -1.419 375 HB2 GLU 48 1HB GLU 48 3.723 -8.257 0.415 376 HB3 GLU 48 2HB GLU 48 3.307 -7.627 -1.166 377 HG2 GLU 48 1HG GLU 48 0.953 -8.931 -0.303 378 HG3 GLU 48 2HG GLU 48 1.565 -8.152 1.142 379 H THR 49 H THR 49 2.969 -10.820 -3.381 380 HA THR 49 HA THR 49 5.767 -10.702 -4.012 381 HB THR 49 HB THR 49 4.313 -12.582 -4.730 382 HG1 THR 49 1HG THR 49 4.942 -10.805 -6.971 383 HG21 THR 49 1HG2 THR 49 2.652 -12.188 -6.559 384 HG22 THR 49 2HG2 THR 49 2.165 -11.346 -5.068 385 HG23 THR 49 3HG2 THR 49 2.907 -10.433 -6.404 386 H ASP 50 H ASP 50 6.433 -9.791 -6.240 387 HA ASP 50 HA ASP 50 6.554 -7.173 -6.152 388 HB2 ASP 50 1HB ASP 50 6.567 -9.157 -8.380 389 HB3 ASP 50 2HB ASP 50 6.310 -7.500 -8.889 390 H TYR 51 H TYR 51 3.851 -9.139 -7.500 391 HA TYR 51 HA TYR 51 2.427 -6.933 -8.580 392 HB2 TYR 51 1HB TYR 51 2.423 -9.730 -8.667 393 HB3 TYR 51 2HB TYR 51 1.049 -9.439 -7.620 394 HD1 TYR 51 2HD TYR 51 -0.102 -6.967 -8.805 395 HD2 TYR 51 1HD TYR 51 1.499 -10.458 -10.690 396 HE1 TYR 51 2HE TYR 51 -1.560 -6.543 -10.844 397 HE2 TYR 51 1HE TYR 51 0.035 -10.023 -12.723 398 HH TYR 51 HH TYR 51 -2.256 -8.781 -13.056 399 H ASP 52 H ASP 52 1.616 -9.122 -5.786 400 HA ASP 52 HA ASP 52 -0.447 -7.760 -4.805 401 HB2 ASP 52 1HB ASP 52 1.828 -8.995 -3.181 402 HB3 ASP 52 2HB ASP 52 0.242 -8.622 -2.537 403 H ALA 53 H ALA 53 3.061 -7.261 -3.944 404 HA ALA 53 HA ALA 53 2.746 -5.180 -2.174 405 HB1 ALA 53 1HB ALA 53 4.938 -5.970 -4.113 406 HB2 ALA 53 2HB ALA 53 5.119 -4.585 -3.010 407 HB3 ALA 53 3HB ALA 53 4.866 -6.219 -2.352 408 H PHE 54 H PHE 54 3.190 -5.075 -5.774 409 HA PHE 54 HA PHE 54 3.143 -2.311 -5.991 410 HB2 PHE 54 1HB PHE 54 3.822 -3.568 -7.907 411 HB3 PHE 54 2HB PHE 54 2.547 -4.751 -7.696 412 HD1 PHE 54 2HD PHE 54 2.917 -1.114 -8.474 413 HD2 PHE 54 1HD PHE 54 0.807 -4.722 -9.206 414 HE1 PHE 54 2HE PHE 54 1.556 0.040 -10.240 415 HE2 PHE 54 1HE PHE 54 -0.553 -3.569 -10.972 416 HZ PHE 54 HZ PHE 54 -0.163 -1.201 -11.467 417 H GLN 55 H GLN 55 0.478 -4.745 -6.006 418 HA GLN 55 HA GLN 55 -1.522 -3.014 -6.768 419 HB2 GLN 55 1HB GLN 55 -1.708 -5.436 -4.922 420 HB3 GLN 55 2HB GLN 55 -3.061 -4.691 -5.749 421 HG2 GLN 55 1HG GLN 55 -2.414 -5.490 -7.846 422 HG3 GLN 55 2HG GLN 55 -0.708 -5.494 -7.443 423 HE21 GLN 55 1HE2 GLN 55 -3.592 -6.897 -5.891 424 HE22 GLN 55 2HE2 GLN 55 -3.043 -8.539 -5.851 425 H ARG 56 H ARG 56 -0.601 -4.097 -3.415 426 HA ARG 56 HA ARG 56 -2.316 -2.758 -1.948 427 HB2 ARG 56 1HB ARG 56 -0.215 -4.115 -1.236 428 HB3 ARG 56 2HB ARG 56 0.669 -2.604 -1.325 429 HG2 ARG 56 1HG ARG 56 -0.793 -1.580 0.365 430 HG3 ARG 56 2HG ARG 56 -1.847 -2.980 0.365 431 HD2 ARG 56 1HD ARG 56 1.104 -3.297 1.017 432 HD3 ARG 56 2HD ARG 56 -0.016 -2.754 2.250 433 HE ARG 56 HE ARG 56 0.256 -5.448 1.294 434 HH11 ARG 56 2HH2 ARG 56 -2.219 -3.146 2.271 435 HH12 ARG 56 1HH2 ARG 56 -3.338 -4.368 2.774 436 HH21 ARG 56 2HH1 ARG 56 -1.220 -7.061 1.958 437 HH22 ARG 56 1HH1 ARG 56 -2.766 -6.610 2.595 438 H LEU 57 H LEU 57 0.888 -1.298 -2.911 439 HA LEU 57 HA LEU 57 0.321 1.258 -2.036 440 HB2 LEU 57 1HB LEU 57 2.545 0.600 -2.507 441 HB3 LEU 57 2HB LEU 57 2.160 0.183 -4.165 442 HG LEU 57 HG LEU 57 3.461 2.347 -3.727 443 HD11 LEU 57 1HD1 LEU 57 2.917 2.863 -5.820 444 HD12 LEU 57 2HD1 LEU 57 1.683 1.583 -5.733 445 HD13 LEU 57 3HD1 LEU 57 1.245 3.269 -5.364 446 HD21 LEU 57 1HD2 LEU 57 0.710 3.206 -2.809 447 HD22 LEU 57 2HD2 LEU 57 2.254 3.315 -1.930 448 HD23 LEU 57 3HD2 LEU 57 1.964 4.347 -3.351 449 H ARG 58 H ARG 58 -0.158 -0.225 -5.307 450 HA ARG 58 HA ARG 58 -0.997 1.919 -6.652 451 HB2 ARG 58 1HB ARG 58 -1.235 -0.936 -6.900 452 HB3 ARG 58 2HB ARG 58 -2.814 -0.270 -7.264 453 HG2 ARG 58 1HG ARG 58 -0.557 1.221 -8.505 454 HG3 ARG 58 2HG ARG 58 -0.711 -0.434 -9.062 455 HD2 ARG 58 1HD ARG 58 -3.362 0.720 -8.952 456 HD3 ARG 58 2HD ARG 58 -2.316 1.845 -9.795 457 HE ARG 58 HE ARG 58 -2.058 0.290 -11.546 458 HH11 ARG 58 2HH2 ARG 58 -3.578 -1.263 -8.778 459 HH12 ARG 58 1HH2 ARG 58 -3.981 -2.706 -9.647 460 HH21 ARG 58 2HH1 ARG 58 -2.590 -1.613 -12.693 461 HH22 ARG 58 1HH1 ARG 58 -3.416 -2.906 -11.889 462 H LYS 59 H LYS 59 -2.606 0.316 -3.966 463 HA LYS 59 HA LYS 59 -5.137 1.621 -4.551 464 HB2 LYS 59 1HB LYS 59 -4.528 -0.836 -3.496 465 HB3 LYS 59 2HB LYS 59 -4.842 0.093 -2.044 466 HG2 LYS 59 1HG LYS 59 -7.022 0.870 -3.042 467 HG3 LYS 59 2HG LYS 59 -6.711 -0.122 -4.452 468 HD2 LYS 59 1HD LYS 59 -7.468 -1.984 -3.396 469 HD3 LYS 59 2HD LYS 59 -6.371 -1.734 -2.053 470 HE2 LYS 59 1HE LYS 59 -8.651 0.165 -2.064 471 HE3 LYS 59 2HE LYS 59 -9.150 -1.510 -1.935 472 HZ1 LYS 59 1HZ LYS 59 -6.954 -0.585 -0.272 473 HZ2 LYS 59 2HZ LYS 59 -8.479 -0.183 0.152 474 HZ3 LYS 59 3HZ LYS 59 -8.053 -1.755 0.026 475 H ILE 60 H ILE 60 -2.318 1.772 -2.363 476 HA ILE 60 HA ILE 60 -3.428 3.524 -0.495 477 HB ILE 60 HB ILE 60 -0.622 2.888 -1.366 478 HG12 ILE 60 1HG1 ILE 60 -2.245 2.243 1.112 479 HG13 ILE 60 2HG1 ILE 60 -1.810 1.132 -0.171 480 HG21 ILE 60 1HG2 ILE 60 -1.350 4.673 0.968 481 HG22 ILE 60 2HG2 ILE 60 0.275 4.231 0.393 482 HG23 ILE 60 3HG2 ILE 60 -0.769 5.271 -0.605 483 HD11 ILE 60 1HD1 ILE 60 0.648 2.281 0.598 484 HD12 ILE 60 2HD1 ILE 60 -0.225 2.013 2.125 485 HD13 ILE 60 3HD1 ILE 60 0.062 0.653 1.013 486 H GLU 61 H GLU 61 -1.625 4.089 -3.576 487 HA GLU 61 HA GLU 61 -1.407 6.797 -3.370 488 HB2 GLU 61 1HB GLU 61 -1.844 5.060 -5.838 489 HB3 GLU 61 2HB GLU 61 -1.372 6.746 -5.913 490 HG2 GLU 61 1HG GLU 61 0.211 4.674 -4.331 491 HG3 GLU 61 2HG GLU 61 0.539 5.021 -6.017 492 H ILE 62 H ILE 62 -4.160 4.806 -4.595 493 HA ILE 62 HA ILE 62 -5.717 6.909 -5.525 494 HB ILE 62 HB ILE 62 -6.527 4.234 -4.382 495 HG12 ILE 62 1HG1 ILE 62 -6.126 5.017 -7.279 496 HG13 ILE 62 2HG1 ILE 62 -4.889 4.240 -6.311 497 HG21 ILE 62 1HG2 ILE 62 -8.646 4.804 -4.681 498 HG22 ILE 62 2HG2 ILE 62 -8.140 6.449 -5.133 499 HG23 ILE 62 3HG2 ILE 62 -8.319 5.197 -6.386 500 HD11 ILE 62 1HD1 ILE 62 -7.559 2.926 -6.183 501 HD12 ILE 62 2HD1 ILE 62 -6.770 2.882 -7.778 502 HD13 ILE 62 3HD1 ILE 62 -5.942 2.203 -6.356 503 H LEU 63 H LEU 63 -5.839 5.208 -2.313 504 HA LEU 63 HA LEU 63 -7.760 6.762 -1.154 505 HB2 LEU 63 1HB LEU 63 -5.339 5.384 -0.006 506 HB3 LEU 63 2HB LEU 63 -6.527 6.187 1.001 507 HG LEU 63 HG LEU 63 -7.597 4.221 -0.953 508 HD11 LEU 63 1HD1 LEU 63 -6.290 2.520 -0.386 509 HD12 LEU 63 2HD1 LEU 63 -5.422 3.517 0.806 510 HD13 LEU 63 3HD1 LEU 63 -6.906 2.656 1.278 511 HD21 LEU 63 1HD2 LEU 63 -8.583 3.701 1.593 512 HD22 LEU 63 2HD2 LEU 63 -8.354 5.466 1.566 513 HD23 LEU 63 3HD2 LEU 63 -9.359 4.680 0.325 514 H THR 64 H THR 64 -4.184 7.259 -0.695 515 HA THR 64 HA THR 64 -4.250 9.642 0.576 516 HB THR 64 HB THR 64 -2.380 8.452 -1.516 517 HG1 THR 64 1HG THR 64 -2.028 7.469 0.452 518 HG21 THR 64 1HG2 THR 64 -2.329 11.136 -1.174 519 HG22 THR 64 2HG2 THR 64 -1.500 10.671 0.330 520 HG23 THR 64 3HG2 THR 64 -0.827 10.183 -1.244 521 HA PRO 65 HA PRO 65 -5.922 12.567 -2.086 522 HB2 PRO 65 1HB PRO 65 -5.002 14.868 -0.935 523 HB3 PRO 65 2HB PRO 65 -6.390 13.984 -0.333 524 HG2 PRO 65 1HG PRO 65 -3.655 14.122 0.780 525 HG3 PRO 65 2HG PRO 65 -5.136 13.613 1.567 526 HD2 PRO 65 1HD PRO 65 -3.045 11.915 0.581 527 HD3 PRO 65 2HD PRO 65 -4.577 11.404 1.261 528 H GLU 66 H GLU 66 -4.999 15.048 -2.900 529 HA GLU 66 HA GLU 66 -3.959 15.730 -4.718 530 HB2 GLU 66 1HB GLU 66 -1.637 14.857 -2.949 531 HB3 GLU 66 2HB GLU 66 -1.424 15.841 -4.384 532 HG2 GLU 66 1HG GLU 66 -3.398 17.279 -3.184 533 HG3 GLU 66 2HG GLU 66 -2.686 16.559 -1.754 534 H VAL 67 H VAL 67 -4.889 13.915 -6.046 535 HA VAL 67 HA VAL 67 -3.264 11.635 -6.547 536 HB VAL 67 HB VAL 67 -4.934 11.040 -8.112 537 HG11 VAL 67 1HG1 VAL 67 -6.796 10.907 -6.734 538 HG12 VAL 67 2HG1 VAL 67 -5.502 11.262 -5.565 539 HG13 VAL 67 3HG1 VAL 67 -6.588 12.562 -6.112 540 HG21 VAL 67 1HG2 VAL 67 -5.747 12.550 -9.538 541 HG22 VAL 67 2HG2 VAL 67 -6.754 13.196 -8.220 542 HG23 VAL 67 3HG2 VAL 67 -5.145 13.889 -8.532 543 H ASN 68 H ASN 68 -3.893 11.951 -9.575 544 HA ASN 68 HA ASN 68 -1.486 13.502 -10.093 545 HB2 ASN 68 1HB ASN 68 -1.806 10.942 -10.752 546 HB3 ASN 68 2HB ASN 68 -2.762 11.580 -12.076 547 HD21 ASN 68 1HD2 ASN 68 -1.450 11.110 -13.733 548 HD22 ASN 68 2HD2 ASN 68 0.131 11.772 -13.984 549 H LYS 69 H LYS 69 -2.461 15.598 -10.381 550 HA LYS 69 HA LYS 69 -4.864 16.114 -11.604 551 HB2 LYS 69 1HB LYS 69 -3.483 17.699 -10.260 552 HB3 LYS 69 2HB LYS 69 -2.390 17.867 -11.619 553 HG2 LYS 69 1HG LYS 69 -5.043 18.241 -12.646 554 HG3 LYS 69 2HG LYS 69 -4.937 19.182 -11.172 555 HD2 LYS 69 1HD LYS 69 -2.813 19.304 -13.359 556 HD3 LYS 69 2HD LYS 69 -4.199 20.376 -13.326 557 HE2 LYS 69 1HE LYS 69 -3.490 21.017 -10.927 558 HE3 LYS 69 2HE LYS 69 -1.998 20.148 -11.227 559 HZ1 LYS 69 1HZ LYS 69 -1.514 22.274 -11.869 560 HZ2 LYS 69 2HZ LYS 69 -1.904 21.604 -13.307 561 HZ3 LYS 69 3HZ LYS 69 -2.978 22.560 -12.534 562 H GLY 70 H GLY 70 -5.627 15.887 -13.637 563 HA2 GLY 70 1HA GLY 70 -4.417 16.601 -15.971 564 HA3 GLY 70 2HA GLY 70 -3.868 14.958 -15.710 565 H SER 71 H SER 71 -5.252 13.220 -16.093 566 HA SER 71 HA SER 71 -6.974 12.142 -16.852 567 HB2 SER 71 1HB SER 71 -7.997 13.171 -14.715 568 HB3 SER 71 2HB SER 71 -8.790 14.329 -15.764 569 HG SER 71 HG SER 71 -9.630 12.355 -16.955 570 H GLY 72 H GLY 72 -7.379 12.000 -19.026 571 HA2 GLY 72 1HA GLY 72 -8.976 13.868 -20.413 572 HA3 GLY 72 2HA GLY 72 -7.288 14.178 -20.765 573 HA PRO 73 HA PRO 73 -8.906 10.494 -23.137 574 HB2 PRO 73 1HB PRO 73 -9.880 11.606 -25.435 575 HB3 PRO 73 2HB PRO 73 -10.902 11.122 -24.097 576 HG2 PRO 73 1HG PRO 73 -10.087 13.842 -24.917 577 HG3 PRO 73 2HG PRO 73 -11.414 13.360 -23.879 578 HD2 PRO 73 1HD PRO 73 -8.901 14.469 -23.050 579 HD3 PRO 73 2HD PRO 73 -10.182 13.880 -22.008 580 H SER 74 H SER 74 -8.009 9.469 -25.084 581 HA SER 74 HA SER 74 -6.288 10.813 -26.715 582 HB2 SER 74 1HB SER 74 -4.052 10.074 -25.778 583 HB3 SER 74 2HB SER 74 -4.843 11.343 -24.864 584 HG SER 74 HG SER 74 -4.110 8.817 -24.053 585 H SER 75 H SER 75 -5.974 7.801 -24.682 586 HA SER 75 HA SER 75 -5.974 5.692 -25.189 587 HB2 SER 75 1HB SER 75 -8.086 6.713 -26.681 588 HB3 SER 75 2HB SER 75 -7.169 5.846 -27.896 589 HG SER 75 HG SER 75 -8.481 4.849 -25.559 590 H GLY 76 H GLY 76 -4.085 4.649 -25.696 591 HA2 GLY 76 1HA GLY 76 -2.807 3.737 -27.571 592 HA3 GLY 76 2HA GLY 76 -2.799 5.343 -28.271 Start of MODEL 20 1 H1 GLY 1 H GLY 1 2.172 25.637 14.787 2 HA2 GLY 1 1HA GLY 1 3.468 23.339 15.699 3 HA3 GLY 1 2HA GLY 1 2.454 22.865 14.351 4 H SER 2 H SER 2 5.364 22.823 14.376 5 HA SER 2 HA SER 2 5.763 24.648 12.159 6 HB2 SER 2 1HB SER 2 6.770 25.449 14.465 7 HB3 SER 2 2HB SER 2 7.985 24.221 14.173 8 HG SER 2 HG SER 2 7.772 25.545 11.862 9 H SER 3 H SER 3 6.232 23.341 10.431 10 HA SER 3 HA SER 3 8.234 21.317 10.812 11 HB2 SER 3 1HB SER 3 5.520 20.605 9.619 12 HB3 SER 3 2HB SER 3 6.886 19.523 9.799 13 HG SER 3 HG SER 3 6.029 19.047 11.700 14 H GLY 4 H GLY 4 5.723 22.585 8.497 15 HA2 GLY 4 1HA GLY 4 6.545 23.988 6.683 16 HA3 GLY 4 2HA GLY 4 7.883 22.871 6.494 17 H SER 5 H SER 5 7.685 21.412 4.857 18 HA SER 5 HA SER 5 6.823 20.073 3.383 19 HB2 SER 5 1HB SER 5 4.427 19.985 5.267 20 HB3 SER 5 2HB SER 5 4.601 18.941 3.870 21 HG SER 5 HG SER 5 5.818 17.659 5.061 22 H SER 6 H SER 6 4.851 19.815 1.749 23 HA SER 6 HA SER 6 3.563 20.709 0.249 24 HB2 SER 6 1HB SER 6 2.868 22.515 2.579 25 HB3 SER 6 2HB SER 6 2.185 22.834 0.997 26 HG SER 6 HG SER 6 0.707 21.397 1.589 27 H GLY 7 H GLY 7 3.911 22.051 -1.552 28 HA2 GLY 7 1HA GLY 7 6.162 23.889 -1.330 29 HA3 GLY 7 2HA GLY 7 5.417 23.278 -2.794 30 H THR 8 H THR 8 5.853 25.860 -3.015 31 HA THR 8 HA THR 8 3.211 27.058 -2.603 32 HB THR 8 HB THR 8 4.357 29.161 -1.849 33 HG1 THR 8 1HG THR 8 6.397 28.367 -3.001 34 HG21 THR 8 1HG2 THR 8 5.685 27.191 -0.046 35 HG22 THR 8 2HG2 THR 8 4.537 28.491 0.354 36 HG23 THR 8 3HG2 THR 8 3.937 26.931 -0.259 37 H SER 9 H SER 9 2.888 26.452 -4.839 38 HA SER 9 HA SER 9 3.433 28.558 -6.527 39 HB2 SER 9 1HB SER 9 5.757 27.348 -6.375 40 HB3 SER 9 2HB SER 9 5.022 26.122 -7.389 41 HG SER 9 HG SER 9 4.413 28.491 -8.516 42 H SER 10 H SER 10 1.114 28.147 -6.699 43 HA SER 10 HA SER 10 0.422 26.692 -8.918 44 HB2 SER 10 1HB SER 10 -0.902 24.829 -7.918 45 HB3 SER 10 2HB SER 10 0.817 24.658 -7.624 46 HG SER 10 HG SER 10 -0.521 26.107 -5.628 47 H ASN 11 H ASN 11 -1.175 28.071 -9.599 48 HA ASN 11 HA ASN 11 -2.444 29.875 -8.069 49 HB2 ASN 11 1HB ASN 11 -3.199 28.465 -10.649 50 HB3 ASN 11 2HB ASN 11 -4.349 29.577 -9.932 51 HD21 ASN 11 1HD2 ASN 11 -4.141 31.675 -10.261 52 HD22 ASN 11 2HD2 ASN 11 -2.787 32.478 -10.983 53 HA PRO 12 HA PRO 12 -5.386 27.463 -5.863 54 HB2 PRO 12 1HB PRO 12 -6.965 29.457 -4.861 55 HB3 PRO 12 2HB PRO 12 -5.445 28.980 -4.131 56 HG2 PRO 12 1HG PRO 12 -6.051 31.378 -5.750 57 HG3 PRO 12 2HG PRO 12 -4.697 31.093 -4.675 58 HD2 PRO 12 1HD PRO 12 -4.663 30.995 -7.542 59 HD3 PRO 12 2HD PRO 12 -3.340 30.597 -6.464 60 H VAL 13 H VAL 13 -5.811 27.009 -8.399 61 HA VAL 13 HA VAL 13 -8.702 27.057 -8.475 62 HB VAL 13 HB VAL 13 -6.937 28.480 -10.455 63 HG11 VAL 13 1HG1 VAL 13 -9.435 26.969 -10.966 64 HG12 VAL 13 2HG1 VAL 13 -9.390 28.625 -11.618 65 HG13 VAL 13 3HG1 VAL 13 -8.132 27.453 -12.079 66 HG21 VAL 13 1HG2 VAL 13 -7.701 30.126 -9.080 67 HG22 VAL 13 2HG2 VAL 13 -9.111 30.034 -10.161 68 HG23 VAL 13 3HG2 VAL 13 -9.141 29.204 -8.587 69 H LEU 14 H LEU 14 -7.874 24.780 -7.918 70 HA LEU 14 HA LEU 14 -8.123 23.192 -10.210 71 HB2 LEU 14 1HB LEU 14 -5.675 24.135 -10.274 72 HB3 LEU 14 2HB LEU 14 -5.376 22.909 -9.058 73 HG LEU 14 HG LEU 14 -4.788 22.128 -11.296 74 HD11 LEU 14 1HD1 LEU 14 -6.066 20.707 -9.393 75 HD12 LEU 14 2HD1 LEU 14 -7.175 20.456 -10.762 76 HD13 LEU 14 3HD1 LEU 14 -5.459 20.008 -10.913 77 HD21 LEU 14 1HD2 LEU 14 -7.721 22.377 -12.009 78 HD22 LEU 14 2HD2 LEU 14 -6.452 23.513 -12.526 79 HD23 LEU 14 3HD2 LEU 14 -6.394 21.814 -13.053 80 H GLU 15 H GLU 15 -9.125 21.377 -9.511 81 HA GLU 15 HA GLU 15 -8.245 20.031 -7.213 82 HB2 GLU 15 1HB GLU 15 -10.249 20.317 -5.797 83 HB3 GLU 15 2HB GLU 15 -9.436 21.849 -6.046 84 HG2 GLU 15 1HG GLU 15 -11.477 21.254 -8.116 85 HG3 GLU 15 2HG GLU 15 -12.142 21.368 -6.499 86 H LEU 16 H LEU 16 -8.379 19.057 -9.703 87 HA LEU 16 HA LEU 16 -10.807 17.409 -9.651 88 HB2 LEU 16 1HB LEU 16 -10.976 17.487 -12.014 89 HB3 LEU 16 2HB LEU 16 -10.940 19.130 -11.406 90 HG LEU 16 HG LEU 16 -8.282 18.129 -12.145 91 HD11 LEU 16 1HD1 LEU 16 -9.274 18.701 -14.674 92 HD12 LEU 16 2HD1 LEU 16 -8.804 17.102 -14.049 93 HD13 LEU 16 3HD1 LEU 16 -10.502 17.628 -13.961 94 HD21 LEU 16 1HD2 LEU 16 -7.985 20.281 -13.008 95 HD22 LEU 16 2HD2 LEU 16 -9.730 20.527 -13.257 96 HD23 LEU 16 3HD2 LEU 16 -9.059 20.515 -11.608 97 H GLU 17 H GLU 17 -9.428 16.188 -12.213 98 HA GLU 17 HA GLU 17 -8.268 14.395 -12.616 99 HB2 GLU 17 1HB GLU 17 -6.403 15.919 -10.797 100 HB3 GLU 17 2HB GLU 17 -5.941 14.311 -11.318 101 HG2 GLU 17 1HG GLU 17 -6.523 15.139 -13.734 102 HG3 GLU 17 2HG GLU 17 -6.490 16.751 -13.047 103 H LEU 18 H LEU 18 -9.469 12.633 -11.933 104 HA LEU 18 HA LEU 18 -9.636 12.015 -9.136 105 HB2 LEU 18 1HB LEU 18 -10.731 10.816 -11.664 106 HB3 LEU 18 2HB LEU 18 -10.849 9.965 -10.136 107 HG LEU 18 HG LEU 18 -11.764 12.696 -9.829 108 HD11 LEU 18 1HD1 LEU 18 -12.206 12.018 -12.379 109 HD12 LEU 18 2HD1 LEU 18 -13.625 11.241 -11.636 110 HD13 LEU 18 3HD1 LEU 18 -13.352 12.987 -11.421 111 HD21 LEU 18 1HD2 LEU 18 -12.721 9.928 -9.282 112 HD22 LEU 18 2HD2 LEU 18 -12.557 11.328 -8.195 113 HD23 LEU 18 3HD2 LEU 18 -13.930 11.233 -9.323 114 H ALA 19 H ALA 19 -9.297 9.482 -8.636 115 HA ALA 19 HA ALA 19 -6.729 8.696 -9.815 116 HB1 ALA 19 1HB ALA 19 -5.655 8.897 -7.848 117 HB2 ALA 19 2HB ALA 19 -7.081 9.768 -7.234 118 HB3 ALA 19 3HB ALA 19 -6.939 8.010 -6.992 119 H GLU 20 H GLU 20 -8.386 7.401 -11.103 120 HA GLU 20 HA GLU 20 -8.731 4.899 -9.710 121 HB2 GLU 20 1HB GLU 20 -11.070 4.644 -10.402 122 HB3 GLU 20 2HB GLU 20 -10.897 6.085 -9.420 123 HG2 GLU 20 1HG GLU 20 -10.445 7.127 -11.934 124 HG3 GLU 20 2HG GLU 20 -11.564 5.834 -12.317 125 H GLU 21 H GLU 21 -10.217 3.585 -11.791 126 HA GLU 21 HA GLU 21 -10.112 2.860 -13.869 127 HB2 GLU 21 1HB GLU 21 -9.144 5.362 -14.322 128 HB3 GLU 21 2HB GLU 21 -7.710 4.435 -14.718 129 HG2 GLU 21 1HG GLU 21 -9.064 3.033 -16.299 130 HG3 GLU 21 2HG GLU 21 -10.486 3.983 -15.915 131 H LYS 22 H LYS 22 -6.929 3.572 -12.310 132 HA LYS 22 HA LYS 22 -5.097 2.354 -12.065 133 HB2 LYS 22 1HB LYS 22 -6.997 1.095 -10.762 134 HB3 LYS 22 2HB LYS 22 -6.774 -0.141 -11.984 135 HG2 LYS 22 1HG LYS 22 -4.544 -0.580 -11.336 136 HG3 LYS 22 2HG LYS 22 -4.334 0.999 -10.605 137 HD2 LYS 22 1HD LYS 22 -6.323 -1.003 -9.468 138 HD3 LYS 22 2HD LYS 22 -4.628 -1.062 -9.025 139 HE2 LYS 22 1HE LYS 22 -4.802 0.766 -7.664 140 HE3 LYS 22 2HE LYS 22 -5.710 1.676 -8.854 141 HZ1 LYS 22 1HZ LYS 22 -7.542 1.211 -7.757 142 HZ2 LYS 22 2HZ LYS 22 -7.298 -0.400 -7.878 143 HZ3 LYS 22 3HZ LYS 22 -6.685 0.426 -6.609 144 H LEU 23 H LEU 23 -3.843 0.261 -12.935 145 HA LEU 23 HA LEU 23 -4.608 -0.419 -15.627 146 HB2 LEU 23 1HB LEU 23 -2.520 1.588 -15.021 147 HB3 LEU 23 2HB LEU 23 -2.082 0.354 -16.185 148 HG LEU 23 HG LEU 23 -4.708 1.694 -16.597 149 HD11 LEU 23 1HD1 LEU 23 -3.666 3.636 -17.698 150 HD12 LEU 23 2HD1 LEU 23 -3.350 3.597 -15.946 151 HD13 LEU 23 3HD1 LEU 23 -2.076 3.113 -17.091 152 HD21 LEU 23 1HD2 LEU 23 -2.495 0.587 -18.311 153 HD22 LEU 23 2HD2 LEU 23 -4.209 0.114 -18.231 154 HD23 LEU 23 3HD2 LEU 23 -3.745 1.655 -18.992 155 HA PRO 24 HA PRO 24 -2.363 -3.952 -14.580 156 HB2 PRO 24 1HB PRO 24 -1.432 -4.872 -16.979 157 HB3 PRO 24 2HB PRO 24 -3.085 -5.096 -16.443 158 HG2 PRO 24 1HG PRO 24 -2.033 -3.219 -18.470 159 HG3 PRO 24 2HG PRO 24 -3.682 -3.758 -18.224 160 HD2 PRO 24 1HD PRO 24 -2.574 -1.224 -17.465 161 HD3 PRO 24 2HD PRO 24 -4.189 -1.808 -17.117 162 H MET 25 H MET 25 -0.784 -3.314 -13.154 163 HA MET 25 HA MET 25 1.224 -2.762 -12.504 164 HB2 MET 25 1HB MET 25 1.471 -4.879 -14.534 165 HB3 MET 25 2HB MET 25 2.933 -3.915 -14.487 166 HG2 MET 25 1HG MET 25 2.280 -4.311 -11.763 167 HG3 MET 25 2HG MET 25 1.923 -5.852 -12.518 168 HE1 MET 25 1HE MET 25 3.701 -6.311 -10.624 169 HE2 MET 25 2HE MET 25 5.453 -6.314 -10.933 170 HE3 MET 25 3HE MET 25 4.644 -4.816 -10.414 171 H THR 26 H THR 26 1.549 -0.555 -12.675 172 HA THR 26 HA THR 26 2.794 0.352 -15.184 173 HB THR 26 HB THR 26 1.475 2.417 -15.001 174 HG1 THR 26 1HG THR 26 0.343 1.059 -12.661 175 HG21 THR 26 1HG2 THR 26 0.257 -0.112 -15.431 176 HG22 THR 26 2HG2 THR 26 -0.808 0.724 -14.275 177 HG23 THR 26 3HG2 THR 26 -0.433 1.476 -15.844 178 H LEU 27 H LEU 27 3.327 -0.397 -12.027 179 HA LEU 27 HA LEU 27 5.424 1.636 -11.881 180 HB2 LEU 27 1HB LEU 27 3.952 0.823 -9.404 181 HB3 LEU 27 2HB LEU 27 4.968 2.222 -9.688 182 HG LEU 27 HG LEU 27 2.334 1.907 -11.120 183 HD11 LEU 27 1HD1 LEU 27 2.812 2.707 -8.273 184 HD12 LEU 27 2HD1 LEU 27 1.537 3.522 -9.209 185 HD13 LEU 27 3HD1 LEU 27 1.489 1.756 -8.989 186 HD21 LEU 27 1HD2 LEU 27 3.378 3.667 -12.123 187 HD22 LEU 27 2HD2 LEU 27 2.594 4.526 -10.776 188 HD23 LEU 27 3HD2 LEU 27 4.317 4.091 -10.672 189 H SER 28 H SER 28 7.408 0.842 -11.249 190 HA SER 28 HA SER 28 7.542 -2.012 -11.093 191 HB2 SER 28 1HB SER 28 9.821 0.004 -10.926 192 HB3 SER 28 2HB SER 28 9.956 -1.702 -11.300 193 HG SER 28 HG SER 28 8.946 0.434 -12.920 194 H ARG 29 H ARG 29 9.148 -2.982 -9.385 195 HA ARG 29 HA ARG 29 8.141 -2.866 -6.966 196 HB2 ARG 29 1HB ARG 29 10.192 -4.219 -7.971 197 HB3 ARG 29 2HB ARG 29 11.168 -2.980 -7.207 198 HG2 ARG 29 1HG ARG 29 10.290 -3.514 -5.007 199 HG3 ARG 29 2HG ARG 29 9.030 -4.528 -5.682 200 HD2 ARG 29 1HD ARG 29 11.892 -5.232 -6.333 201 HD3 ARG 29 2HD ARG 29 11.320 -5.569 -4.712 202 HE ARG 29 HE ARG 29 9.305 -6.588 -6.328 203 HH11 ARG 29 2HH2 ARG 29 12.784 -7.076 -6.138 204 HH12 ARG 29 1HH2 ARG 29 12.716 -8.707 -6.718 205 HH21 ARG 29 2HH1 ARG 29 9.214 -8.739 -7.093 206 HH22 ARG 29 1HH1 ARG 29 10.671 -9.659 -7.265 207 H GLN 30 H GLN 30 11.115 -0.965 -7.894 208 HA GLN 30 HA GLN 30 11.308 0.453 -5.575 209 HB2 GLN 30 1HB GLN 30 12.678 0.350 -7.972 210 HB3 GLN 30 2HB GLN 30 12.006 1.967 -8.035 211 HG2 GLN 30 1HG GLN 30 13.871 2.505 -6.805 212 HG3 GLN 30 2HG GLN 30 12.887 1.974 -5.456 213 HE21 GLN 30 1HE2 GLN 30 15.726 1.960 -5.626 214 HE22 GLN 30 2HE2 GLN 30 16.285 0.327 -5.479 215 H GLU 31 H GLU 31 9.470 1.243 -8.591 216 HA GLU 31 HA GLU 31 8.651 3.748 -7.827 217 HB2 GLU 31 1HB GLU 31 8.418 2.536 -10.101 218 HB3 GLU 31 2HB GLU 31 6.955 1.819 -9.456 219 HG2 GLU 31 1HG GLU 31 6.369 3.842 -10.708 220 HG3 GLU 31 2HG GLU 31 6.033 4.104 -9.008 221 H VAL 32 H VAL 32 7.666 0.574 -6.693 222 HA VAL 32 HA VAL 32 5.239 1.656 -5.500 223 HB VAL 32 HB VAL 32 6.400 -1.120 -5.753 224 HG11 VAL 32 1HG1 VAL 32 4.722 -0.209 -3.691 225 HG12 VAL 32 2HG1 VAL 32 3.650 -1.053 -4.834 226 HG13 VAL 32 3HG1 VAL 32 5.058 -1.897 -4.146 227 HG21 VAL 32 1HG2 VAL 32 3.701 -0.578 -6.775 228 HG22 VAL 32 2HG2 VAL 32 4.969 0.387 -7.567 229 HG23 VAL 32 3HG2 VAL 32 5.082 -1.389 -7.551 230 H ILE 33 H ILE 33 8.547 0.577 -4.737 231 HA ILE 33 HA ILE 33 8.132 0.446 -1.938 232 HB ILE 33 HB ILE 33 10.543 0.557 -3.729 233 HG12 ILE 33 1HG1 ILE 33 9.687 -1.637 -1.840 234 HG13 ILE 33 2HG1 ILE 33 9.025 -1.509 -3.458 235 HG21 ILE 33 1HG2 ILE 33 10.442 0.701 -0.719 236 HG22 ILE 33 2HG2 ILE 33 11.828 -0.008 -1.581 237 HG23 ILE 33 3HG2 ILE 33 11.380 1.691 -1.862 238 HD11 ILE 33 1HD1 ILE 33 12.027 -1.510 -2.945 239 HD12 ILE 33 2HD1 ILE 33 11.098 -3.009 -3.191 240 HD13 ILE 33 3HD1 ILE 33 11.178 -1.789 -4.485 241 H ARG 34 H ARG 34 9.101 2.996 -4.263 242 HA ARG 34 HA ARG 34 10.058 4.824 -2.504 243 HB2 ARG 34 1HB ARG 34 9.293 4.765 -5.230 244 HB3 ARG 34 2HB ARG 34 8.347 6.073 -4.550 245 HG2 ARG 34 1HG ARG 34 10.210 7.357 -4.807 246 HG3 ARG 34 2HG ARG 34 10.840 6.521 -3.401 247 HD2 ARG 34 1HD ARG 34 11.795 4.747 -4.954 248 HD3 ARG 34 2HD ARG 34 11.267 5.712 -6.318 249 HE ARG 34 HE ARG 34 13.565 6.242 -4.606 250 HH11 ARG 34 2HH2 ARG 34 11.157 7.763 -6.673 251 HH12 ARG 34 1HH2 ARG 34 12.141 9.145 -7.019 252 HH21 ARG 34 2HH1 ARG 34 14.863 8.066 -5.062 253 HH22 ARG 34 1HH1 ARG 34 14.264 9.319 -6.096 254 H ARG 35 H ARG 35 6.719 5.028 -3.947 255 HA ARG 35 HA ARG 35 5.699 6.839 -2.285 256 HB2 ARG 35 1HB ARG 35 4.411 4.393 -3.565 257 HB3 ARG 35 2HB ARG 35 3.447 5.537 -2.651 258 HG2 ARG 35 1HG ARG 35 3.511 7.096 -4.317 259 HG3 ARG 35 2HG ARG 35 5.235 6.896 -4.559 260 HD2 ARG 35 1HD ARG 35 4.932 5.044 -6.055 261 HD3 ARG 35 2HD ARG 35 3.277 4.783 -5.540 262 HE ARG 35 HE ARG 35 2.572 6.447 -7.030 263 HH11 ARG 35 2HH2 ARG 35 6.040 6.752 -6.517 264 HH12 ARG 35 1HH2 ARG 35 6.245 7.957 -7.744 265 HH21 ARG 35 2HH1 ARG 35 2.842 8.037 -8.649 266 HH22 ARG 35 1HH1 ARG 35 4.413 8.693 -8.965 267 H LEU 36 H LEU 36 5.175 3.255 -1.836 268 HA LEU 36 HA LEU 36 3.991 3.235 0.563 269 HB2 LEU 36 1HB LEU 36 6.147 1.390 -0.468 270 HB3 LEU 36 2HB LEU 36 5.173 1.056 0.949 271 HG LEU 36 HG LEU 36 4.103 1.429 -1.862 272 HD11 LEU 36 1HD1 LEU 36 4.616 -1.064 -0.225 273 HD12 LEU 36 2HD1 LEU 36 3.598 -1.024 -1.685 274 HD13 LEU 36 3HD1 LEU 36 5.327 -0.615 -1.794 275 HD21 LEU 36 1HD2 LEU 36 2.390 2.125 -0.408 276 HD22 LEU 36 2HD2 LEU 36 2.008 0.433 -0.807 277 HD23 LEU 36 3HD2 LEU 36 2.740 0.832 0.765 278 H ARG 37 H ARG 37 7.590 3.319 0.072 279 HA ARG 37 HA ARG 37 8.248 3.427 2.704 280 HB2 ARG 37 1HB ARG 37 9.534 4.396 0.152 281 HB3 ARG 37 2HB ARG 37 10.253 4.924 1.660 282 HG2 ARG 37 1HG ARG 37 10.125 2.374 2.338 283 HG3 ARG 37 2HG ARG 37 9.927 2.091 0.620 284 HD2 ARG 37 1HD ARG 37 12.076 2.981 0.092 285 HD3 ARG 37 2HD ARG 37 12.196 3.850 1.608 286 HE ARG 37 HE ARG 37 11.977 1.027 2.136 287 HH11 ARG 37 2HH2 ARG 37 14.254 3.427 0.938 288 HH12 ARG 37 1HH2 ARG 37 15.653 2.530 1.426 289 HH21 ARG 37 2HH1 ARG 37 13.822 -0.157 2.779 290 HH22 ARG 37 1HH1 ARG 37 15.405 0.477 2.480 291 H GLU 38 H GLU 38 7.950 6.242 0.401 292 HA GLU 38 HA GLU 38 8.334 8.214 2.226 293 HB2 GLU 38 1HB GLU 38 6.646 8.117 -0.300 294 HB3 GLU 38 2HB GLU 38 6.852 9.600 0.610 295 HG2 GLU 38 1HG GLU 38 9.465 8.460 0.319 296 HG3 GLU 38 2HG GLU 38 8.694 8.338 -1.250 297 H ARG 39 H ARG 39 5.293 6.473 1.373 298 HA ARG 39 HA ARG 39 3.663 8.098 2.940 299 HB2 ARG 39 1HB ARG 39 3.232 5.175 2.140 300 HB3 ARG 39 2HB ARG 39 1.979 6.289 2.650 301 HG2 ARG 39 1HG ARG 39 3.458 7.541 0.508 302 HG3 ARG 39 2HG ARG 39 3.063 5.910 0.004 303 HD2 ARG 39 1HD ARG 39 0.971 6.649 -0.487 304 HD3 ARG 39 2HD ARG 39 0.693 6.835 1.233 305 HE ARG 39 HE ARG 39 1.321 8.979 -0.685 306 HH11 ARG 39 2HH2 ARG 39 1.145 8.050 2.704 307 HH12 ARG 39 1HH2 ARG 39 1.027 9.680 3.277 308 HH21 ARG 39 2HH1 ARG 39 1.166 11.130 0.070 309 HH22 ARG 39 1HH1 ARG 39 1.039 11.444 1.769 310 H GLY 40 H GLY 40 5.599 5.149 3.557 311 HA2 GLY 40 1HA GLY 40 6.467 4.751 5.725 312 HA3 GLY 40 2HA GLY 40 5.024 5.449 6.432 313 H GLU 41 H GLU 41 5.347 3.033 3.747 314 HA GLU 41 HA GLU 41 3.793 1.231 5.435 315 HB2 GLU 41 1HB GLU 41 3.818 0.914 2.445 316 HB3 GLU 41 2HB GLU 41 2.543 0.546 3.591 317 HG2 GLU 41 1HG GLU 41 3.434 3.391 2.929 318 HG3 GLU 41 2HG GLU 41 2.112 2.582 2.112 319 HA PRO 42 HA PRO 42 6.912 -1.740 4.901 320 HB2 PRO 42 1HB PRO 42 5.563 -4.114 4.788 321 HB3 PRO 42 2HB PRO 42 5.870 -3.256 6.285 322 HG2 PRO 42 1HG PRO 42 3.346 -3.483 4.763 323 HG3 PRO 42 2HG PRO 42 3.581 -3.010 6.434 324 HD2 PRO 42 1HD PRO 42 3.022 -1.273 4.221 325 HD3 PRO 42 2HD PRO 42 3.372 -0.791 5.869 326 H ILE 43 H ILE 43 8.282 -1.826 3.246 327 HA ILE 43 HA ILE 43 7.343 -1.866 0.630 328 HB ILE 43 HB ILE 43 9.685 -2.311 0.039 329 HG12 ILE 43 1HG1 ILE 43 10.771 -2.159 2.738 330 HG13 ILE 43 2HG1 ILE 43 9.800 -3.602 2.519 331 HG21 ILE 43 1HG2 ILE 43 9.235 -0.235 2.199 332 HG22 ILE 43 2HG2 ILE 43 10.634 -0.281 1.100 333 HG23 ILE 43 3HG2 ILE 43 8.996 -0.036 0.447 334 HD11 ILE 43 1HD1 ILE 43 12.252 -3.852 1.879 335 HD12 ILE 43 2HD1 ILE 43 11.102 -4.302 0.597 336 HD13 ILE 43 3HD1 ILE 43 11.942 -2.734 0.529 337 H ARG 44 H ARG 44 8.028 -4.458 2.956 338 HA ARG 44 HA ARG 44 6.964 -6.287 0.987 339 HB2 ARG 44 1HB ARG 44 9.433 -6.562 0.892 340 HB3 ARG 44 2HB ARG 44 9.499 -6.782 2.630 341 HG2 ARG 44 1HG ARG 44 9.575 -8.988 1.651 342 HG3 ARG 44 2HG ARG 44 7.985 -8.811 2.366 343 HD2 ARG 44 1HD ARG 44 6.922 -8.919 0.335 344 HD3 ARG 44 2HD ARG 44 8.091 -7.870 -0.442 345 HE ARG 44 HE ARG 44 8.072 -10.729 -0.567 346 HH11 ARG 44 2HH2 ARG 44 10.336 -8.063 -0.183 347 HH12 ARG 44 1HH2 ARG 44 11.668 -8.926 -0.877 348 HH21 ARG 44 2HH1 ARG 44 9.828 -11.868 -1.483 349 HH22 ARG 44 1HH1 ARG 44 11.377 -11.105 -1.621 350 H LEU 45 H LEU 45 5.002 -6.521 2.137 351 HA LEU 45 HA LEU 45 4.695 -6.559 4.855 352 HB2 LEU 45 1HB LEU 45 3.162 -7.372 2.499 353 HB3 LEU 45 2HB LEU 45 2.754 -8.286 3.938 354 HG LEU 45 HG LEU 45 2.828 -5.266 3.938 355 HD11 LEU 45 1HD1 LEU 45 0.695 -5.066 3.148 356 HD12 LEU 45 2HD1 LEU 45 1.239 -6.467 2.193 357 HD13 LEU 45 3HD1 LEU 45 0.232 -6.713 3.640 358 HD21 LEU 45 1HD2 LEU 45 1.766 -7.390 5.781 359 HD22 LEU 45 2HD2 LEU 45 2.790 -5.980 6.141 360 HD23 LEU 45 3HD2 LEU 45 1.062 -5.755 5.778 361 H PHE 46 H PHE 46 4.038 -9.653 3.187 362 HA PHE 46 HA PHE 46 6.197 -10.966 4.553 363 HB2 PHE 46 1HB PHE 46 3.906 -10.575 6.004 364 HB3 PHE 46 2HB PHE 46 3.387 -11.983 5.098 365 HD1 PHE 46 2HD PHE 46 6.270 -10.826 7.169 366 HD2 PHE 46 1HD PHE 46 3.817 -14.076 5.976 367 HE1 PHE 46 2HE PHE 46 7.445 -12.316 8.813 368 HE2 PHE 46 1HE PHE 46 4.991 -15.566 7.619 369 HZ PHE 46 HZ PHE 46 6.791 -14.668 9.018 370 H GLY 47 H GLY 47 6.693 -11.386 2.263 371 HA2 GLY 47 1HA GLY 47 6.853 -13.119 0.754 372 HA3 GLY 47 2HA GLY 47 5.353 -13.804 1.348 373 H GLU 48 H GLU 48 5.325 -10.349 0.760 374 HA GLU 48 HA GLU 48 3.360 -10.707 -1.237 375 HB2 GLU 48 1HB GLU 48 4.516 -8.472 0.327 376 HB3 GLU 48 2HB GLU 48 4.028 -8.011 -1.292 377 HG2 GLU 48 1HG GLU 48 1.835 -9.451 -0.636 378 HG3 GLU 48 2HG GLU 48 2.340 -9.024 0.987 379 H THR 49 H THR 49 3.671 -10.953 -3.407 380 HA THR 49 HA THR 49 6.305 -10.848 -4.481 381 HB THR 49 HB THR 49 4.884 -11.279 -6.636 382 HG1 THR 49 1HG THR 49 2.638 -11.937 -5.797 383 HG21 THR 49 1HG2 THR 49 4.468 -13.074 -4.185 384 HG22 THR 49 2HG2 THR 49 4.155 -13.555 -5.870 385 HG23 THR 49 3HG2 THR 49 5.816 -13.196 -5.341 386 H ASP 50 H ASP 50 6.024 -9.734 -7.008 387 HA ASP 50 HA ASP 50 6.459 -7.041 -6.336 388 HB2 ASP 50 1HB ASP 50 7.342 -8.632 -8.327 389 HB3 ASP 50 2HB ASP 50 5.986 -7.924 -9.183 390 H TYR 51 H TYR 51 3.734 -8.999 -7.430 391 HA TYR 51 HA TYR 51 2.236 -6.689 -8.360 392 HB2 TYR 51 1HB TYR 51 2.426 -9.353 -9.082 393 HB3 TYR 51 2HB TYR 51 1.108 -9.471 -7.932 394 HD1 TYR 51 2HD TYR 51 -0.684 -7.374 -8.320 395 HD2 TYR 51 1HD TYR 51 1.754 -9.254 -11.291 396 HE1 TYR 51 2HE TYR 51 -2.319 -6.653 -10.128 397 HE2 TYR 51 1HE TYR 51 0.111 -8.527 -13.089 398 HH TYR 51 HH TYR 51 -2.904 -6.895 -12.222 399 H ASP 52 H ASP 52 2.494 -8.903 -5.574 400 HA ASP 52 HA ASP 52 0.012 -8.261 -4.481 401 HB2 ASP 52 1HB ASP 52 2.019 -10.058 -3.916 402 HB3 ASP 52 2HB ASP 52 2.272 -8.897 -2.628 403 H ALA 53 H ALA 53 3.388 -7.016 -4.066 404 HA ALA 53 HA ALA 53 2.678 -5.159 -2.029 405 HB1 ALA 53 1HB ALA 53 5.116 -4.762 -3.707 406 HB2 ALA 53 2HB ALA 53 4.935 -4.770 -1.937 407 HB3 ALA 53 3HB ALA 53 4.989 -6.307 -2.833 408 H PHE 54 H PHE 54 2.657 -5.224 -5.566 409 HA PHE 54 HA PHE 54 2.667 -2.417 -5.913 410 HB2 PHE 54 1HB PHE 54 3.261 -3.843 -7.776 411 HB3 PHE 54 2HB PHE 54 1.914 -4.925 -7.484 412 HD1 PHE 54 1HD PHE 54 2.433 -1.311 -8.300 413 HD2 PHE 54 2HD PHE 54 0.200 -4.848 -9.012 414 HE1 PHE 54 1HE PHE 54 1.089 -0.111 -10.048 415 HE2 PHE 54 2HE PHE 54 -1.143 -3.648 -10.760 416 HZ PHE 54 HZ PHE 54 -0.683 -1.294 -11.257 417 H GLN 55 H GLN 55 -0.014 -4.814 -6.486 418 HA GLN 55 HA GLN 55 -2.025 -3.117 -6.821 419 HB2 GLN 55 1HB GLN 55 -2.064 -5.708 -5.213 420 HB3 GLN 55 2HB GLN 55 -3.508 -4.894 -5.781 421 HG2 GLN 55 1HG GLN 55 -1.300 -5.558 -7.750 422 HG3 GLN 55 2HG GLN 55 -2.408 -6.817 -7.240 423 HE21 GLN 55 1HE2 GLN 55 -4.084 -7.102 -8.478 424 HE22 GLN 55 2HE2 GLN 55 -4.896 -5.918 -9.448 425 H ARG 56 H ARG 56 -0.344 -3.814 -3.768 426 HA ARG 56 HA ARG 56 -2.286 -2.773 -2.081 427 HB2 ARG 56 1HB ARG 56 -0.112 -4.170 -1.569 428 HB3 ARG 56 2HB ARG 56 0.703 -2.619 -1.521 429 HG2 ARG 56 1HG ARG 56 -0.384 -1.938 0.423 430 HG3 ARG 56 2HG ARG 56 -1.841 -2.842 0.061 431 HD2 ARG 56 1HD ARG 56 0.804 -4.134 0.888 432 HD3 ARG 56 2HD ARG 56 -0.503 -3.782 2.001 433 HE ARG 56 HE ARG 56 -0.382 -6.008 0.167 434 HH11 ARG 56 2HH2 ARG 56 -2.649 -3.730 1.599 435 HH12 ARG 56 1HH2 ARG 56 -4.008 -4.796 1.456 436 HH21 ARG 56 2HH1 ARG 56 -2.173 -7.414 -0.022 437 HH22 ARG 56 1HH1 ARG 56 -3.735 -6.905 0.527 438 H LEU 57 H LEU 57 0.848 -1.326 -3.262 439 HA LEU 57 HA LEU 57 0.330 1.219 -2.231 440 HB2 LEU 57 1HB LEU 57 2.550 0.528 -2.729 441 HB3 LEU 57 2HB LEU 57 2.154 0.202 -4.404 442 HG LEU 57 HG LEU 57 3.482 2.333 -3.825 443 HD11 LEU 57 1HD1 LEU 57 3.029 2.803 -5.943 444 HD12 LEU 57 2HD1 LEU 57 1.634 1.700 -5.878 445 HD13 LEU 57 3HD1 LEU 57 1.423 3.424 -5.491 446 HD21 LEU 57 1HD2 LEU 57 0.717 3.134 -2.912 447 HD22 LEU 57 2HD2 LEU 57 2.264 3.268 -2.041 448 HD23 LEU 57 3HD2 LEU 57 1.936 4.319 -3.440 449 H ARG 58 H ARG 58 -0.129 -0.171 -5.549 450 HA ARG 58 HA ARG 58 -0.971 2.010 -6.830 451 HB2 ARG 58 1HB ARG 58 -1.117 -0.804 -7.219 452 HB3 ARG 58 2HB ARG 58 -2.758 -0.235 -7.457 453 HG2 ARG 58 1HG ARG 58 -0.265 0.802 -8.885 454 HG3 ARG 58 2HG ARG 58 -1.530 -0.182 -9.594 455 HD2 ARG 58 1HD ARG 58 -2.387 1.846 -10.259 456 HD3 ARG 58 2HD ARG 58 -3.053 1.881 -8.638 457 HE ARG 58 HE ARG 58 -0.367 2.921 -8.598 458 HH11 ARG 58 2HH2 ARG 58 -3.626 3.773 -9.612 459 HH12 ARG 58 1HH2 ARG 58 -3.365 5.479 -9.463 460 HH21 ARG 58 2HH1 ARG 58 -0.021 5.171 -8.400 461 HH22 ARG 58 1HH1 ARG 58 -1.300 6.279 -8.768 462 H LYS 59 H LYS 59 -2.591 0.312 -4.208 463 HA LYS 59 HA LYS 59 -5.125 1.626 -4.768 464 HB2 LYS 59 1HB LYS 59 -4.505 -0.863 -3.784 465 HB3 LYS 59 2HB LYS 59 -4.851 0.020 -2.311 466 HG2 LYS 59 1HG LYS 59 -7.012 0.834 -3.376 467 HG3 LYS 59 2HG LYS 59 -6.676 -0.201 -4.750 468 HD2 LYS 59 1HD LYS 59 -6.652 -2.198 -3.250 469 HD3 LYS 59 2HD LYS 59 -6.964 -1.170 -1.865 470 HE2 LYS 59 1HE LYS 59 -9.128 -0.439 -2.899 471 HE3 LYS 59 2HE LYS 59 -8.817 -1.474 -4.279 472 HZ1 LYS 59 1HZ LYS 59 -9.053 -3.353 -2.989 473 HZ2 LYS 59 2HZ LYS 59 -8.822 -2.574 -1.572 474 HZ3 LYS 59 3HZ LYS 59 -10.219 -2.375 -2.394 475 H ILE 60 H ILE 60 -2.323 1.710 -2.552 476 HA ILE 60 HA ILE 60 -3.460 3.404 -0.642 477 HB ILE 60 HB ILE 60 -0.642 2.785 -1.485 478 HG12 ILE 60 1HG1 ILE 60 -2.389 2.009 0.860 479 HG13 ILE 60 2HG1 ILE 60 -1.737 0.965 -0.388 480 HG21 ILE 60 1HG2 ILE 60 -0.592 4.007 1.057 481 HG22 ILE 60 2HG2 ILE 60 0.131 4.593 -0.460 482 HG23 ILE 60 3HG2 ILE 60 -1.517 5.092 -0.009 483 HD11 ILE 60 1HD1 ILE 60 0.500 2.336 0.740 484 HD12 ILE 60 2HD1 ILE 60 -0.509 1.789 2.101 485 HD13 ILE 60 3HD1 ILE 60 0.085 0.613 0.904 486 H GLU 61 H GLU 61 -1.597 4.057 -3.670 487 HA GLU 61 HA GLU 61 -1.324 6.735 -3.405 488 HB2 GLU 61 1HB GLU 61 -1.853 5.052 -5.887 489 HB3 GLU 61 2HB GLU 61 -1.427 6.750 -5.972 490 HG2 GLU 61 1HG GLU 61 0.269 4.705 -4.473 491 HG3 GLU 61 2HG GLU 61 0.522 5.080 -6.166 492 H ILE 62 H ILE 62 -4.241 4.850 -4.159 493 HA ILE 62 HA ILE 62 -5.758 7.013 -5.156 494 HB ILE 62 HB ILE 62 -6.628 4.403 -3.909 495 HG12 ILE 62 1HG1 ILE 62 -6.211 5.091 -6.832 496 HG13 ILE 62 2HG1 ILE 62 -5.073 4.185 -5.855 497 HG21 ILE 62 1HG2 ILE 62 -8.166 6.652 -4.603 498 HG22 ILE 62 2HG2 ILE 62 -8.404 5.472 -5.914 499 HG23 ILE 62 3HG2 ILE 62 -8.738 5.009 -4.228 500 HD11 ILE 62 1HD1 ILE 62 -7.603 2.954 -5.413 501 HD12 ILE 62 2HD1 ILE 62 -7.492 3.252 -7.164 502 HD13 ILE 62 3HD1 ILE 62 -6.231 2.303 -6.341 503 H LEU 63 H LEU 63 -5.729 5.344 -1.924 504 HA LEU 63 HA LEU 63 -7.505 6.979 -0.653 505 HB2 LEU 63 1HB LEU 63 -5.054 5.541 0.353 506 HB3 LEU 63 2HB LEU 63 -6.166 6.376 1.419 507 HG LEU 63 HG LEU 63 -7.087 4.211 -0.477 508 HD11 LEU 63 1HD1 LEU 63 -6.567 3.621 2.411 509 HD12 LEU 63 2HD1 LEU 63 -6.620 2.527 1.008 510 HD13 LEU 63 3HD1 LEU 63 -5.211 3.585 1.258 511 HD21 LEU 63 1HD2 LEU 63 -8.955 4.021 1.131 512 HD22 LEU 63 2HD2 LEU 63 -8.284 5.395 2.043 513 HD23 LEU 63 3HD2 LEU 63 -8.853 5.628 0.372 514 H THR 64 H THR 64 -3.887 7.362 -0.551 515 HA THR 64 HA THR 64 -4.371 10.257 -0.283 516 HB THR 64 HB THR 64 -1.998 8.782 0.922 517 HG1 THR 64 1HG THR 64 -3.921 7.765 1.751 518 HG21 THR 64 1HG2 THR 64 -3.070 10.764 2.642 519 HG22 THR 64 2HG2 THR 64 -1.589 10.908 1.666 520 HG23 THR 64 3HG2 THR 64 -3.142 11.487 1.017 521 HA PRO 65 HA PRO 65 -2.029 9.840 -4.017 522 HB2 PRO 65 1HB PRO 65 -3.193 11.931 -5.337 523 HB3 PRO 65 2HB PRO 65 -3.781 10.283 -5.443 524 HG2 PRO 65 1HG PRO 65 -4.918 12.565 -3.946 525 HG3 PRO 65 2HG PRO 65 -5.691 11.062 -4.410 526 HD2 PRO 65 1HD PRO 65 -4.718 11.758 -1.803 527 HD3 PRO 65 2HD PRO 65 -5.385 10.214 -2.295 528 H GLU 66 H GLU 66 -2.792 12.851 -2.368 529 HA GLU 66 HA GLU 66 0.041 13.404 -2.436 530 HB2 GLU 66 1HB GLU 66 -1.589 14.608 -4.316 531 HB3 GLU 66 2HB GLU 66 -1.627 15.793 -3.025 532 HG2 GLU 66 1HG GLU 66 0.478 16.481 -3.515 533 HG3 GLU 66 2HG GLU 66 1.100 14.852 -3.342 534 H VAL 67 H VAL 67 0.735 14.848 -0.719 535 HA VAL 67 HA VAL 67 -1.029 14.732 1.540 536 HB VAL 67 HB VAL 67 1.468 14.304 1.506 537 HG11 VAL 67 1HG1 VAL 67 1.587 17.339 1.458 538 HG12 VAL 67 2HG1 VAL 67 2.958 16.233 1.709 539 HG13 VAL 67 3HG1 VAL 67 2.110 16.258 0.145 540 HG21 VAL 67 1HG2 VAL 67 0.477 14.420 3.626 541 HG22 VAL 67 2HG2 VAL 67 1.798 15.611 3.712 542 HG23 VAL 67 3HG2 VAL 67 0.121 16.157 3.472 543 H ASN 68 H ASN 68 0.314 17.218 -0.689 544 HA ASN 68 HA ASN 68 -0.437 19.446 0.654 545 HB2 ASN 68 1HB ASN 68 0.675 18.966 -1.783 546 HB3 ASN 68 2HB ASN 68 -0.943 19.368 -2.322 547 HD21 ASN 68 1HD2 ASN 68 1.950 20.629 -2.018 548 HD22 ASN 68 2HD2 ASN 68 1.618 22.277 -1.602 549 H LYS 69 H LYS 69 -2.468 20.087 1.386 550 HA LYS 69 HA LYS 69 -4.795 18.775 0.961 551 HB2 LYS 69 1HB LYS 69 -4.059 20.830 2.501 552 HB3 LYS 69 2HB LYS 69 -4.921 21.744 1.281 553 HG2 LYS 69 1HG LYS 69 -6.809 19.917 1.606 554 HG3 LYS 69 2HG LYS 69 -5.985 19.574 3.113 555 HD2 LYS 69 1HD LYS 69 -6.107 22.155 3.542 556 HD3 LYS 69 2HD LYS 69 -7.285 22.182 2.245 557 HE2 LYS 69 1HE LYS 69 -8.008 20.008 3.982 558 HE3 LYS 69 2HE LYS 69 -7.660 21.386 5.008 559 HZ1 LYS 69 1HZ LYS 69 -9.085 22.530 3.105 560 HZ2 LYS 69 2HZ LYS 69 -9.761 21.044 3.083 561 HZ3 LYS 69 3HZ LYS 69 -9.744 21.913 4.465 562 H GLY 70 H GLY 70 -6.182 18.464 -0.701 563 HA2 GLY 70 1HA GLY 70 -6.030 20.374 -2.956 564 HA3 GLY 70 2HA GLY 70 -6.075 18.638 -3.189 565 H SER 71 H SER 71 -8.055 17.773 -3.617 566 HA SER 71 HA SER 71 -10.344 19.405 -2.944 567 HB2 SER 71 1HB SER 71 -9.662 17.973 -5.226 568 HB3 SER 71 2HB SER 71 -10.800 16.892 -4.447 569 HG SER 71 HG SER 71 -12.063 19.123 -4.208 570 H GLY 72 H GLY 72 -9.368 15.893 -2.860 571 HA2 GLY 72 1HA GLY 72 -9.753 15.290 -0.276 572 HA3 GLY 72 2HA GLY 72 -11.400 15.322 -0.873 573 HA PRO 73 HA PRO 73 -9.217 11.355 -2.017 574 HB2 PRO 73 1HB PRO 73 -9.747 9.718 0.106 575 HB3 PRO 73 2HB PRO 73 -8.220 10.553 -0.103 576 HG2 PRO 73 1HG PRO 73 -10.429 11.171 1.761 577 HG3 PRO 73 2HG PRO 73 -8.761 11.704 1.820 578 HD2 PRO 73 1HD PRO 73 -11.027 13.247 0.976 579 HD3 PRO 73 2HD PRO 73 -9.346 13.740 0.926 580 H SER 74 H SER 74 -10.210 9.066 -2.293 581 HA SER 74 HA SER 74 -13.081 9.528 -2.511 582 HB2 SER 74 1HB SER 74 -12.138 9.651 -4.749 583 HB3 SER 74 2HB SER 74 -11.202 8.191 -4.500 584 HG SER 74 HG SER 74 -14.073 8.143 -4.280 585 H SER 75 H SER 75 -13.537 8.382 -0.556 586 HA SER 75 HA SER 75 -13.293 5.531 -0.873 587 HB2 SER 75 1HB SER 75 -12.521 5.337 1.566 588 HB3 SER 75 2HB SER 75 -11.314 5.868 0.411 589 HG SER 75 HG SER 75 -11.134 7.726 1.455 590 H GLY 76 H GLY 76 -14.620 4.400 0.977 591 HA2 GLY 76 1HA GLY 76 -16.306 5.330 2.748 592 HA3 GLY 76 2HA GLY 76 -17.092 5.938 1.305
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