NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
650219 | 6wa5 | 30740 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 2 H GLY 2 1.811 -0.001 0.854 2 HA2 GLY 2 2HA GLY 2 2.753 -0.837 -1.249 3 HA3 GLY 2 3HA GLY 2 1.376 -0.112 -2.066 4 H ASN 3 H ASN 3 4.566 0.339 -0.984 5 HA ASN 3 HA ASN 3 4.418 3.225 -1.549 6 HB2 ASN 3 2HB ASN 3 6.339 1.612 0.128 7 HB3 ASN 3 3HB ASN 3 6.684 3.266 -0.371 8 HD21 ASN 3 1HD2 ASN 3 5.217 1.310 1.921 9 HD22 ASN 3 2HD2 ASN 3 4.338 2.529 2.774 10 H LEU 4 H LEU 4 4.506 2.912 -3.820 11 HA LEU 4 HA LEU 4 5.499 2.663 -5.855 12 HB2 LEU 4 2HB LEU 4 7.072 4.253 -4.326 13 HB3 LEU 4 3HB LEU 4 8.218 2.993 -4.780 14 HG LEU 4 HG LEU 4 8.334 4.928 -6.276 15 HD11 LEU 4 1HD1 LEU 4 8.042 3.690 -8.413 16 HD12 LEU 4 2HD1 LEU 4 7.278 2.388 -7.502 17 HD13 LEU 4 3HD1 LEU 4 8.962 2.809 -7.192 18 HD21 LEU 4 1HD2 LEU 4 5.672 4.263 -7.428 19 HD22 LEU 4 2HD2 LEU 4 6.568 5.782 -7.454 20 HD23 LEU 4 3HD2 LEU 4 5.740 5.271 -5.982 21 H LYS 5 H LYS 5 5.100 0.252 -4.433 22 HA LYS 5 HA LYS 5 7.240 -1.480 -4.248 23 HB2 LYS 5 2HB LYS 5 4.679 -1.804 -3.769 24 HB3 LYS 5 3HB LYS 5 4.654 -2.451 -5.404 25 HG2 LYS 5 2HG LYS 5 5.846 -4.306 -4.841 26 HG3 LYS 5 3HG LYS 5 6.711 -3.490 -3.536 27 HD2 LYS 5 2HD LYS 5 4.786 -3.595 -2.111 28 HD3 LYS 5 3HD LYS 5 3.781 -4.196 -3.431 29 HE2 LYS 5 2HE LYS 5 5.892 -5.986 -3.321 30 HE3 LYS 5 3HE LYS 5 5.544 -5.635 -1.629 31 HZ1 LYS 5 1HZ LYS 5 3.154 -6.049 -3.117 32 HZ2 LYS 5 2HZ LYS 5 3.700 -6.840 -1.726 33 HZ3 LYS 5 3HZ LYS 5 4.188 -7.382 -3.253 34 H SER 6 H SER 6 8.667 -2.226 -5.663 35 HA SER 6 HA SER 6 8.749 -1.529 -8.346 36 HB2 SER 6 2HB SER 6 10.716 -2.686 -8.417 37 HB3 SER 6 3HB SER 6 10.510 -2.683 -6.666 38 HG SER 6 HG SER 6 10.592 -4.769 -8.334 39 H ARG 7 H ARG 7 7.092 -4.139 -6.779 40 HA ARG 7 HA ARG 7 6.674 -5.692 -9.157 41 HB2 ARG 7 2HB ARG 7 6.305 -6.059 -6.380 42 HB3 ARG 7 3HB ARG 7 4.720 -6.236 -7.122 43 HG2 ARG 7 2HG ARG 7 7.185 -7.725 -7.998 44 HG3 ARG 7 3HG ARG 7 5.964 -8.362 -6.894 45 HD2 ARG 7 2HD ARG 7 4.545 -7.405 -9.104 46 HD3 ARG 7 3HD ARG 7 5.950 -8.235 -9.773 47 HE ARG 7 HE ARG 7 3.696 -9.434 -8.497 48 HH11 ARG 7 1HH1 ARG 7 7.114 -9.775 -9.064 49 HH12 ARG 7 2HH1 ARG 7 7.104 -11.499 -8.888 50 HH21 ARG 7 1HH2 ARG 7 3.670 -11.703 -8.263 51 HH22 ARG 7 2HH2 ARG 7 5.144 -12.594 -8.433 52 H ASP 8 H ASP 8 4.316 -4.067 -7.028 53 HA ASP 8 HA ASP 8 2.190 -4.100 -8.817 54 HB2 ASP 8 2HB ASP 8 2.783 -2.885 -6.275 55 HB3 ASP 8 3HB ASP 8 1.927 -1.736 -7.299 56 H TRP 9 H TRP 9 4.962 -2.029 -8.690 57 HA TRP 9 HA TRP 9 3.858 0.050 -10.331 58 HB2 TRP 9 2HB TRP 9 5.650 0.590 -8.794 59 HB3 TRP 9 3HB TRP 9 6.708 -0.595 -9.554 60 HD1 TRP 9 HD1 TRP 9 8.503 0.632 -10.887 61 HE1 TRP 9 HE1 TRP 9 8.582 2.686 -12.436 62 HE3 TRP 9 HE3 TRP 9 3.622 2.108 -10.524 63 HZ2 TRP 9 HZ2 TRP 9 6.809 4.670 -13.379 64 HZ3 TRP 9 HZ3 TRP 9 2.894 4.095 -11.781 65 HH2 TRP 9 HH2 TRP 9 4.456 5.348 -13.177 66 H LYS 10 H LYS 10 6.608 -2.134 -10.961 67 HA LYS 10 HA LYS 10 6.709 -1.750 -13.707 68 HB2 LYS 10 2HB LYS 10 8.484 -2.859 -12.421 69 HB3 LYS 10 3HB LYS 10 7.432 -4.242 -12.152 70 HG2 LYS 10 2HG LYS 10 7.781 -5.079 -14.211 71 HG3 LYS 10 3HG LYS 10 7.839 -3.485 -14.967 72 HD2 LYS 10 2HD LYS 10 10.029 -4.113 -15.194 73 HD3 LYS 10 3HD LYS 10 10.104 -3.309 -13.625 74 HE2 LYS 10 2HE LYS 10 9.727 -5.570 -12.578 75 HE3 LYS 10 3HE LYS 10 9.958 -6.266 -14.182 76 HZ1 LYS 10 1HZ LYS 10 11.907 -5.403 -12.319 77 HZ2 LYS 10 2HZ LYS 10 12.088 -4.557 -13.772 78 HZ3 LYS 10 3HZ LYS 10 12.120 -6.248 -13.768 79 H MET 11 H MET 11 4.621 -3.800 -11.807 80 HA MET 11 HA MET 11 3.679 -5.374 -14.002 81 HB2 MET 11 2HB MET 11 3.611 -6.123 -11.626 82 HB3 MET 11 3HB MET 11 2.376 -4.912 -11.314 83 HG2 MET 11 2HG MET 11 1.033 -6.694 -11.665 84 HG3 MET 11 3HG MET 11 1.187 -6.143 -13.332 85 HE1 MET 11 1HE MET 11 1.665 -10.120 -11.818 86 HE2 MET 11 2HE MET 11 0.622 -8.740 -11.477 87 HE3 MET 11 3HE MET 11 0.490 -9.585 -13.020 88 H ALA 12 H ALA 12 2.020 -2.935 -11.989 89 HA ALA 12 HA ALA 12 -0.255 -2.637 -13.519 90 HB1 ALA 12 1HB ALA 12 -0.084 -1.638 -11.341 91 HB2 ALA 12 2HB ALA 12 1.201 -0.560 -11.890 92 HB3 ALA 12 3HB ALA 12 -0.436 -0.374 -12.519 93 H ILE 13 H ILE 13 2.897 -1.104 -13.931 94 HA ILE 13 HA ILE 13 2.049 0.621 -16.050 95 HB ILE 13 HB ILE 13 4.822 -0.225 -15.204 96 HG12 ILE 13 2HG1 ILE 13 3.542 1.058 -13.515 97 HG13 ILE 13 3HG1 ILE 13 4.929 1.954 -14.124 98 HG21 ILE 13 1HG2 ILE 13 5.249 0.498 -17.327 99 HG22 ILE 13 2HG2 ILE 13 3.845 1.563 -17.366 100 HG23 ILE 13 3HG2 ILE 13 5.291 2.043 -16.477 101 HD11 ILE 13 1HD1 ILE 13 2.293 2.819 -13.971 102 HD12 ILE 13 2HD1 ILE 13 3.635 3.618 -14.792 103 HD13 ILE 13 3HD1 ILE 13 2.582 2.522 -15.685 104 H LYS 14 H LYS 14 3.431 -2.590 -15.839 105 HA LYS 14 HA LYS 14 4.181 -2.871 -18.546 106 HB2 LYS 14 2HB LYS 14 5.071 -4.407 -16.948 107 HB3 LYS 14 3HB LYS 14 3.464 -4.890 -16.422 108 HG2 LYS 14 2HG LYS 14 3.101 -6.198 -18.288 109 HG3 LYS 14 3HG LYS 14 4.300 -5.335 -19.254 110 HD2 LYS 14 2HD LYS 14 6.088 -6.427 -18.230 111 HD3 LYS 14 3HD LYS 14 5.116 -6.913 -16.839 112 HE2 LYS 14 2HE LYS 14 4.992 -8.899 -17.867 113 HE3 LYS 14 3HE LYS 14 3.795 -8.119 -18.900 114 HZ1 LYS 14 1HZ LYS 14 6.551 -7.737 -19.701 115 HZ2 LYS 14 2HZ LYS 14 5.190 -8.094 -20.639 116 HZ3 LYS 14 3HZ LYS 14 5.993 -9.331 -19.810 117 H ARG 15 H ARG 15 1.136 -3.174 -16.886 118 HA ARG 15 HA ARG 15 -0.137 -4.294 -19.273 119 HB2 ARG 15 2HB ARG 15 -0.618 -4.489 -16.446 120 HB3 ARG 15 3HB ARG 15 -2.055 -3.866 -17.245 121 HG2 ARG 15 2HG ARG 15 -2.437 -6.117 -17.352 122 HG3 ARG 15 3HG ARG 15 -1.631 -5.847 -18.898 123 HD2 ARG 15 2HD ARG 15 0.486 -6.569 -17.937 124 HD3 ARG 15 3HD ARG 15 -0.287 -6.790 -16.368 125 HE ARG 15 HE ARG 15 -1.675 -8.341 -18.218 126 HH11 ARG 15 1HH1 ARG 15 1.498 -8.178 -16.795 127 HH12 ARG 15 2HH1 ARG 15 1.790 -9.881 -16.931 128 HH21 ARG 15 1HH2 ARG 15 -1.303 -10.584 -18.403 129 HH22 ARG 15 2HH2 ARG 15 0.196 -11.248 -17.847 130 H CYS 16 H CYS 16 0.016 -1.401 -17.325 131 HA CYS 16 HA CYS 16 -2.257 -0.073 -18.277 132 HB2 CYS 16 2HB CYS 16 0.260 0.706 -16.930 133 HB3 CYS 16 3HB CYS 16 -0.560 1.986 -17.815 134 HG CYS 16 HG CYS 16 -2.076 0.089 -15.405 135 H SER 17 H SER 17 1.072 -0.118 -19.496 136 HA SER 17 HA SER 17 0.802 1.762 -21.531 137 HB2 SER 17 2HB SER 17 2.543 -0.707 -21.387 138 HB3 SER 17 3HB SER 17 2.706 0.539 -22.624 139 HG SER 17 HG SER 17 3.028 2.040 -20.866 140 H ASN 18 H ASN 18 -0.402 -1.464 -21.304 141 HA ASN 18 HA ASN 18 -0.676 -2.141 -23.997 142 HB2 ASN 18 2HB ASN 18 -1.232 -3.423 -21.711 143 HB3 ASN 18 3HB ASN 18 -2.864 -2.913 -22.136 144 HD21 ASN 18 1HD2 ASN 18 -0.823 -5.400 -22.338 145 HD22 ASN 18 2HD2 ASN 18 -1.379 -6.150 -23.792 146 H VAL 19 H VAL 19 -2.359 0.178 -22.090 147 HA VAL 19 HA VAL 19 -4.761 0.331 -23.582 148 HB VAL 19 HB VAL 19 -4.374 1.302 -21.281 149 HG11 VAL 19 1HG1 VAL 19 -2.227 2.481 -22.159 150 HG12 VAL 19 2HG1 VAL 19 -3.348 3.751 -22.654 151 HG13 VAL 19 3HG1 VAL 19 -3.235 3.285 -20.956 152 HG21 VAL 19 1HG2 VAL 19 -5.453 3.549 -22.834 153 HG22 VAL 19 2HG2 VAL 19 -6.152 1.976 -23.218 154 HG23 VAL 19 3HG2 VAL 19 -6.202 2.582 -21.563 155 H ALA 20 H ALA 20 -5.424 2.039 -25.023 156 HA ALA 20 HA ALA 20 -3.218 2.925 -26.752 157 HB1 ALA 20 1HB ALA 20 -6.139 2.475 -27.327 158 HB2 ALA 20 2HB ALA 20 -5.020 3.220 -28.469 159 HB3 ALA 20 3HB ALA 20 -4.763 1.558 -27.939 160 H VAL 21 H VAL 21 -2.884 5.042 -27.196 161 HA VAL 21 HA VAL 21 -3.884 7.009 -25.452 162 HB VAL 21 HB VAL 21 -2.643 7.551 -28.147 163 HG11 VAL 21 1HG1 VAL 21 -3.676 9.308 -26.384 164 HG12 VAL 21 2HG1 VAL 21 -2.022 9.194 -25.781 165 HG13 VAL 21 3HG1 VAL 21 -2.321 9.673 -27.452 166 HG21 VAL 21 1HG2 VAL 21 -0.644 7.697 -26.219 167 HG22 VAL 21 2HG2 VAL 21 -1.516 6.210 -25.845 168 HG23 VAL 21 3HG2 VAL 21 -0.833 6.451 -27.453 169 H GLY 22 H GLY 22 -4.669 6.256 -28.834 170 HA2 GLY 22 2HA GLY 22 -6.490 6.800 -30.121 171 HA3 GLY 22 3HA GLY 22 -7.365 6.998 -28.610 172 H VAL 23 H VAL 23 -8.014 8.593 -30.704 173 HA VAL 23 HA VAL 23 -7.351 11.211 -29.651 174 HB VAL 23 HB VAL 23 -6.867 12.082 -31.989 175 HG11 VAL 23 1HG1 VAL 23 -4.523 11.676 -31.800 176 HG12 VAL 23 2HG1 VAL 23 -5.182 11.765 -30.165 177 HG13 VAL 23 3HG1 VAL 23 -4.796 10.198 -30.877 178 HG21 VAL 23 1HG2 VAL 23 -5.868 10.423 -33.545 179 HG22 VAL 23 2HG2 VAL 23 -6.444 9.137 -32.485 180 HG23 VAL 23 3HG2 VAL 23 -7.599 10.197 -33.293 181 H GLY 24 H GLY 24 -9.055 9.317 -32.111 182 HA2 GLY 24 2HA GLY 24 -11.605 10.058 -31.551 183 HA3 GLY 24 3HA GLY 24 -11.026 11.376 -32.558 184 H GLY 25 H GLY 25 -9.253 9.379 -33.998 185 HA2 GLY 25 2HA GLY 25 -11.288 7.842 -35.450 186 HA3 GLY 25 3HA GLY 25 -10.332 9.011 -36.348 187 H LYS 26 H LYS 26 -7.861 8.599 -35.030 188 HA LYS 26 HA LYS 26 -7.123 6.045 -36.243 189 HB2 LYS 26 2HB LYS 26 -5.272 8.163 -35.149 190 HB3 LYS 26 3HB LYS 26 -4.869 6.851 -36.249 191 HG2 LYS 26 2HG LYS 26 -6.585 7.982 -37.827 192 HG3 LYS 26 3HG LYS 26 -6.338 9.393 -36.796 193 HD2 LYS 26 2HD LYS 26 -3.812 8.203 -37.495 194 HD3 LYS 26 3HD LYS 26 -4.752 8.552 -38.948 195 HE2 LYS 26 2HE LYS 26 -4.518 10.608 -36.791 196 HE3 LYS 26 3HE LYS 26 -3.192 10.377 -37.929 197 HZ1 LYS 26 1HZ LYS 26 -4.589 12.067 -38.789 198 HZ2 LYS 26 2HZ LYS 26 -5.987 11.143 -38.556 199 HZ3 LYS 26 3HZ LYS 26 -4.862 10.691 -39.735 200 H SER 27 H SER 27 -4.854 5.375 -34.909 201 HA SER 27 HA SER 27 -5.761 4.902 -32.146 202 HB2 SER 27 2HB SER 27 -5.227 2.648 -32.252 203 HB3 SER 27 3HB SER 27 -5.817 2.930 -33.889 204 HG SER 27 HG SER 27 -3.742 2.969 -34.631 205 H LYS 28 H LYS 28 -3.825 4.001 -30.805 206 HA LYS 28 HA LYS 28 -1.189 4.720 -31.465 207 HB2 LYS 28 2HB LYS 28 -2.876 6.867 -30.440 208 HB3 LYS 28 3HB LYS 28 -1.448 6.604 -29.448 209 HG2 LYS 28 2HG LYS 28 -0.320 6.582 -31.885 210 HG3 LYS 28 3HG LYS 28 -1.688 7.655 -32.189 211 HD2 LYS 28 2HD LYS 28 0.104 9.046 -31.516 212 HD3 LYS 28 3HD LYS 28 -0.977 8.933 -30.125 213 HE2 LYS 28 2HE LYS 28 0.466 7.501 -28.974 214 HE3 LYS 28 3HE LYS 28 1.352 7.071 -30.435 215 HZ1 LYS 28 1HZ LYS 28 2.791 8.671 -29.987 216 HZ2 LYS 28 2HZ LYS 28 1.934 9.092 -28.590 217 HZ3 LYS 28 3HZ LYS 28 1.565 9.835 -30.064 218 H LYS 29 H LYS 29 0.285 4.567 -29.594 219 HA LYS 29 HA LYS 29 -0.855 2.799 -27.537 220 HB2 LYS 29 2HB LYS 29 1.233 2.319 -29.244 221 HB3 LYS 29 3HB LYS 29 2.071 2.883 -27.805 222 HG2 LYS 29 2HG LYS 29 0.911 1.173 -26.478 223 HG3 LYS 29 3HG LYS 29 0.122 0.591 -27.946 224 HD2 LYS 29 2HD LYS 29 1.883 -0.841 -27.939 225 HD3 LYS 29 3HD LYS 29 2.664 0.506 -28.771 226 HE2 LYS 29 2HE LYS 29 2.914 0.981 -25.998 227 HE3 LYS 29 3HE LYS 29 3.340 -0.708 -26.273 228 HZ1 LYS 29 1HZ LYS 29 4.724 1.702 -27.078 229 HZ2 LYS 29 2HZ LYS 29 4.642 0.506 -28.271 230 HZ3 LYS 29 3HZ LYS 29 5.334 0.155 -26.768 231 H PHE 30 H PHE 30 -0.669 3.288 -25.421 232 HA PHE 30 HA PHE 30 0.163 5.946 -24.713 233 HB2 PHE 30 2HB PHE 30 -1.660 4.141 -23.686 234 HB3 PHE 30 3HB PHE 30 -0.373 4.130 -22.485 235 HD1 PHE 30 HD1 PHE 30 -3.365 5.625 -23.351 236 HD2 PHE 30 HD2 PHE 30 0.523 6.605 -21.924 237 HE1 PHE 30 HE1 PHE 30 -4.246 7.715 -22.398 238 HE2 PHE 30 HE2 PHE 30 -0.351 8.696 -20.968 239 HZ PHE 30 HZ PHE 30 -2.739 9.254 -21.204 240 H GLY 31 H GLY 31 2.051 6.580 -23.875 241 HA2 GLY 31 2HA GLY 31 4.030 4.486 -23.258 242 HA3 GLY 31 3HA GLY 31 4.413 6.124 -23.768 243 H GLU 32 H GLU 32 5.702 5.130 -21.611 244 HA GLU 32 HA GLU 32 4.435 5.592 -19.130 245 HB2 GLU 32 2HB GLU 32 6.513 4.251 -19.446 246 HB3 GLU 32 3HB GLU 32 7.388 5.745 -19.753 247 HG2 GLU 32 2HG GLU 32 6.730 6.525 -17.487 248 HG3 GLU 32 3HG GLU 32 6.028 4.934 -17.196 249 H GLY 33 H GLY 33 5.968 7.695 -21.430 250 HA2 GLY 33 2HA GLY 33 6.550 9.878 -19.747 251 HA3 GLY 33 3HA GLY 33 6.271 9.970 -21.480 252 H ASN 34 H ASN 34 3.699 9.294 -21.806 253 HA ASN 34 HA ASN 34 2.328 11.612 -20.887 254 HB2 ASN 34 2HB ASN 34 1.511 9.188 -22.470 255 HB3 ASN 34 3HB ASN 34 0.319 10.379 -21.957 256 HD21 ASN 34 1HD2 ASN 34 -0.080 11.940 -23.337 257 HD22 ASN 34 2HD2 ASN 34 0.982 12.501 -24.578 258 H PHE 35 H PHE 35 2.084 8.158 -20.119 259 HA PHE 35 HA PHE 35 -0.089 8.269 -18.383 260 HB2 PHE 35 2HB PHE 35 1.842 6.342 -19.164 261 HB3 PHE 35 3HB PHE 35 1.800 6.353 -17.404 262 HD1 PHE 35 HD1 PHE 35 0.632 4.586 -19.991 263 HD2 PHE 35 HD2 PHE 35 -0.900 6.759 -16.668 264 HE1 PHE 35 HE1 PHE 35 -1.409 3.213 -20.039 265 HE2 PHE 35 HE2 PHE 35 -2.943 5.389 -16.709 266 HZ PHE 35 HZ PHE 35 -3.199 3.613 -18.395 267 H ARG 36 H ARG 36 3.256 9.124 -17.886 268 HA ARG 36 HA ARG 36 3.077 9.256 -15.025 269 HB2 ARG 36 2HB ARG 36 5.201 8.850 -16.304 270 HB3 ARG 36 3HB ARG 36 5.145 10.530 -16.819 271 HG2 ARG 36 2HG ARG 36 4.874 10.627 -14.052 272 HG3 ARG 36 3HG ARG 36 6.099 9.393 -14.351 273 HD2 ARG 36 2HD ARG 36 7.212 11.496 -14.145 274 HD3 ARG 36 3HD ARG 36 7.266 11.018 -15.841 275 HE ARG 36 HE ARG 36 5.016 12.647 -15.404 276 HH11 ARG 36 1HH1 ARG 36 8.490 12.831 -15.531 277 HH12 ARG 36 2HH1 ARG 36 8.514 14.487 -16.040 278 HH21 ARG 36 1HH2 ARG 36 5.034 14.827 -16.073 279 HH22 ARG 36 2HH2 ARG 36 6.547 15.622 -16.347 280 H TRP 37 H TRP 37 3.185 11.661 -17.642 281 HA TRP 37 HA TRP 37 3.044 13.962 -16.094 282 HB2 TRP 37 2HB TRP 37 3.502 14.205 -18.411 283 HB3 TRP 37 3HB TRP 37 2.028 13.356 -18.868 284 HD1 TRP 37 HD1 TRP 37 3.346 16.787 -18.021 285 HE1 TRP 37 HE1 TRP 37 1.462 18.519 -18.296 286 HE3 TRP 37 HE3 TRP 37 -0.609 13.600 -18.605 287 HZ2 TRP 37 HZ2 TRP 37 -1.331 18.533 -18.705 288 HZ3 TRP 37 HZ3 TRP 37 -2.853 14.553 -18.933 289 HH2 TRP 37 HH2 TRP 37 -3.205 16.969 -18.981 290 H ALA 38 H ALA 38 0.543 11.697 -16.987 291 HA ALA 38 HA ALA 38 -1.629 13.394 -16.157 292 HB1 ALA 38 1HB ALA 38 -2.590 11.980 -17.597 293 HB2 ALA 38 2HB ALA 38 -1.331 10.763 -17.385 294 HB3 ALA 38 3HB ALA 38 -2.664 10.862 -16.235 295 H ILE 39 H ILE 39 -0.530 10.219 -14.949 296 HA ILE 39 HA ILE 39 -1.923 10.204 -12.572 297 HB ILE 39 HB ILE 39 -0.696 8.256 -13.398 298 HG12 ILE 39 2HG1 ILE 39 0.700 8.398 -10.875 299 HG13 ILE 39 3HG1 ILE 39 -0.901 9.114 -10.725 300 HG21 ILE 39 1HG2 ILE 39 1.337 9.741 -14.007 301 HG22 ILE 39 2HG2 ILE 39 1.857 9.411 -12.355 302 HG23 ILE 39 3HG2 ILE 39 1.611 8.079 -13.484 303 HD11 ILE 39 1HD1 ILE 39 -1.080 6.822 -10.156 304 HD12 ILE 39 2HD1 ILE 39 -1.826 7.025 -11.741 305 HD13 ILE 39 3HD1 ILE 39 -0.212 6.327 -11.609 306 H ARG 40 H ARG 40 1.125 11.783 -13.326 307 HA ARG 40 HA ARG 40 1.757 12.491 -10.638 308 HB2 ARG 40 2HB ARG 40 3.525 12.383 -12.269 309 HB3 ARG 40 3HB ARG 40 2.722 13.570 -13.288 310 HG2 ARG 40 2HG ARG 40 3.176 14.615 -10.638 311 HG3 ARG 40 3HG ARG 40 4.676 14.046 -11.374 312 HD2 ARG 40 2HD ARG 40 4.693 15.696 -12.895 313 HD3 ARG 40 3HD ARG 40 2.958 15.575 -13.183 314 HE ARG 40 HE ARG 40 3.353 16.739 -10.672 315 HH11 ARG 40 1HH1 ARG 40 3.873 17.460 -14.038 316 HH12 ARG 40 2HH1 ARG 40 3.722 19.173 -13.829 317 HH21 ARG 40 1HH2 ARG 40 3.153 18.993 -10.384 318 HH22 ARG 40 2HH2 ARG 40 3.314 20.044 -11.750 319 H MET 41 H MET 41 0.591 14.439 -13.393 320 HA MET 41 HA MET 41 0.162 16.807 -12.002 321 HB2 MET 41 2HB MET 41 0.105 16.517 -14.490 322 HB3 MET 41 3HB MET 41 -1.490 15.796 -14.321 323 HG2 MET 41 2HG MET 41 -2.492 17.784 -13.817 324 HG3 MET 41 3HG MET 41 -1.022 18.478 -13.138 325 HE1 MET 41 1HE MET 41 -1.994 20.893 -15.966 326 HE2 MET 41 2HE MET 41 -2.366 20.371 -14.323 327 HE3 MET 41 3HE MET 41 -0.748 20.950 -14.719 328 H ALA 42 H ALA 42 -1.848 13.949 -12.285 329 HA ALA 42 HA ALA 42 -4.222 15.070 -11.224 330 HB1 ALA 42 1HB ALA 42 -4.855 13.123 -12.123 331 HB2 ALA 42 2HB ALA 42 -3.250 12.412 -11.943 332 HB3 ALA 42 3HB ALA 42 -4.372 12.413 -10.582 333 H ASN 43 H ASN 43 -1.622 13.152 -9.729 334 HA ASN 43 HA ASN 43 -2.649 13.055 -7.143 335 HB2 ASN 43 2HB ASN 43 0.244 13.148 -8.028 336 HB3 ASN 43 3HB ASN 43 -0.306 12.672 -6.424 337 HD21 ASN 43 1HD2 ASN 43 1.211 11.126 -8.317 338 HD22 ASN 43 2HD2 ASN 43 0.275 9.719 -8.675 339 H VAL 44 H VAL 44 -0.460 15.442 -8.607 340 HA VAL 44 HA VAL 44 -0.116 17.048 -6.334 341 HB VAL 44 HB VAL 44 -0.067 17.899 -9.234 342 HG11 VAL 44 1HG1 VAL 44 1.596 19.602 -8.192 343 HG12 VAL 44 2HG1 VAL 44 -0.140 19.897 -8.071 344 HG13 VAL 44 3HG1 VAL 44 0.744 19.245 -6.690 345 HG21 VAL 44 1HG2 VAL 44 2.529 17.725 -8.337 346 HG22 VAL 44 2HG2 VAL 44 1.757 16.322 -7.599 347 HG23 VAL 44 3HG2 VAL 44 1.704 16.539 -9.348 348 H SER 45 H SER 45 -2.593 17.049 -8.841 349 HA SER 45 HA SER 45 -3.833 19.478 -8.176 350 HB2 SER 45 2HB SER 45 -4.550 17.069 -9.734 351 HB3 SER 45 3HB SER 45 -5.911 18.013 -9.129 352 HG SER 45 HG SER 45 -4.503 18.520 -11.251 353 H THR 46 H THR 46 -3.924 16.358 -6.684 354 HA THR 46 HA THR 46 -6.213 17.110 -5.017 355 HB THR 46 HB THR 46 -6.034 14.755 -4.153 356 HG1 THR 46 HG1 THR 46 -4.357 13.615 -4.733 357 HG21 THR 46 1HG2 THR 46 -7.223 13.838 -5.942 358 HG22 THR 46 2HG2 THR 46 -6.284 14.725 -7.143 359 HG23 THR 46 3HG2 THR 46 -7.462 15.574 -6.142 360 H GLY 47 H GLY 47 -3.555 18.356 -4.752 361 HA2 GLY 47 2HA GLY 47 -2.094 18.984 -3.096 362 HA3 GLY 47 3HA GLY 47 -3.379 18.531 -1.986 363 H ARG 48 H ARG 48 -1.642 16.391 -4.192 364 HA ARG 48 HA ARG 48 -0.423 15.079 -1.853 365 HB2 ARG 48 2HB ARG 48 -2.267 13.993 -3.817 366 HB3 ARG 48 3HB ARG 48 -0.760 13.087 -3.774 367 HG2 ARG 48 2HG ARG 48 -1.237 12.167 -1.798 368 HG3 ARG 48 3HG ARG 48 -1.828 13.689 -1.128 369 HD2 ARG 48 2HD ARG 48 -3.956 13.142 -1.516 370 HD3 ARG 48 3HD ARG 48 -3.599 12.626 -3.164 371 HE ARG 48 HE ARG 48 -2.705 10.711 -1.264 372 HH11 ARG 48 1HH1 ARG 48 -5.552 11.914 -2.865 373 HH12 ARG 48 2HH1 ARG 48 -6.419 10.420 -2.729 374 HH21 ARG 48 1HH2 ARG 48 -3.835 8.739 -1.078 375 HH22 ARG 48 2HH2 ARG 48 -5.442 8.615 -1.712 376 H GLU 49 H GLU 49 1.477 13.737 -2.399 377 HA GLU 49 HA GLU 49 3.441 15.153 -3.720 378 HB2 GLU 49 2HB GLU 49 4.651 12.895 -3.822 379 HB3 GLU 49 3HB GLU 49 4.178 13.492 -2.238 380 HG2 GLU 49 2HG GLU 49 2.425 11.958 -2.053 381 HG3 GLU 49 3HG GLU 49 2.448 11.592 -3.777 382 HA PRO 50 HA PRO 50 2.977 14.481 -8.030 383 HB2 PRO 50 2HB PRO 50 5.562 14.321 -8.844 384 HB3 PRO 50 3HB PRO 50 4.810 15.835 -8.326 385 HG2 PRO 50 2HG PRO 50 6.590 13.981 -6.791 386 HG3 PRO 50 3HG PRO 50 6.611 15.753 -6.857 387 HD2 PRO 50 2HD PRO 50 5.500 14.385 -4.802 388 HD3 PRO 50 3HD PRO 50 4.879 15.955 -5.350 389 H GLY 51 H GLY 51 5.508 12.366 -6.655 390 HA2 GLY 51 2HA GLY 51 4.910 10.311 -8.624 391 HA3 GLY 51 3HA GLY 51 6.181 10.258 -7.411 392 H ASP 52 H ASP 52 2.655 10.681 -7.166 393 HA ASP 52 HA ASP 52 2.578 8.782 -4.980 394 HB2 ASP 52 2HB ASP 52 1.121 11.036 -5.576 395 HB3 ASP 52 3HB ASP 52 0.009 9.743 -6.018 396 H ILE 53 H ILE 53 2.762 6.710 -5.605 397 HA ILE 53 HA ILE 53 1.024 5.774 -7.793 398 HB ILE 53 HB ILE 53 3.558 4.493 -6.764 399 HG12 ILE 53 2HG1 ILE 53 3.998 6.579 -7.986 400 HG13 ILE 53 3HG1 ILE 53 4.541 5.180 -8.905 401 HG21 ILE 53 1HG2 ILE 53 2.978 2.664 -7.880 402 HG22 ILE 53 2HG2 ILE 53 1.400 3.390 -8.181 403 HG23 ILE 53 3HG2 ILE 53 2.705 3.600 -9.349 404 HD11 ILE 53 1HD1 ILE 53 1.933 5.606 -9.752 405 HD12 ILE 53 2HD1 ILE 53 2.636 7.218 -9.609 406 HD13 ILE 53 3HD1 ILE 53 3.415 6.003 -10.622 407 HA PRO 54 HA PRO 54 -0.641 3.937 -3.872 408 HB2 PRO 54 2HB PRO 54 -3.246 4.352 -4.516 409 HB3 PRO 54 3HB PRO 54 -2.249 5.571 -3.713 410 HG2 PRO 54 2HG PRO 54 -2.974 5.323 -6.607 411 HG3 PRO 54 3HG PRO 54 -2.928 6.771 -5.585 412 HD2 PRO 54 2HD PRO 54 -0.940 6.144 -7.313 413 HD3 PRO 54 3HD PRO 54 -0.642 6.991 -5.781 414 H GLU 55 H GLU 55 -1.802 1.981 -3.611 415 HA GLU 55 HA GLU 55 -2.397 0.521 -6.095 416 HB2 GLU 55 2HB GLU 55 -0.698 -0.339 -3.775 417 HB3 GLU 55 3HB GLU 55 -1.536 -1.535 -4.753 418 HG2 GLU 55 2HG GLU 55 0.464 0.481 -5.749 419 HG3 GLU 55 3HG GLU 55 0.752 -1.240 -5.499 420 H THR 56 H THR 56 -4.310 1.839 -4.585 421 HA THR 56 HA THR 56 -5.933 -0.423 -3.707 422 HB THR 56 HB THR 56 -6.603 0.543 -1.639 423 HG1 THR 56 HG1 THR 56 -6.453 2.625 -1.278 424 HG21 THR 56 1HG2 THR 56 -4.469 0.733 -0.400 425 HG22 THR 56 2HG2 THR 56 -3.610 0.811 -1.938 426 HG23 THR 56 3HG2 THR 56 -4.496 -0.647 -1.496 427 H LEU 57 H LEU 57 -8.012 -0.254 -4.323 428 HA LEU 57 HA LEU 57 -8.849 1.607 -6.194 429 HB2 LEU 57 2HB LEU 57 -10.605 0.059 -4.296 430 HB3 LEU 57 3HB LEU 57 -11.098 0.770 -5.831 431 HG LEU 57 HG LEU 57 -8.886 -1.151 -6.033 432 HD11 LEU 57 1HD1 LEU 57 -10.148 -2.236 -4.263 433 HD12 LEU 57 2HD1 LEU 57 -10.332 -3.111 -5.783 434 HD13 LEU 57 3HD1 LEU 57 -11.634 -2.073 -5.201 435 HD21 LEU 57 1HD2 LEU 57 -11.531 -1.132 -7.456 436 HD22 LEU 57 2HD2 LEU 57 -9.984 -1.772 -8.012 437 HD23 LEU 57 3HD2 LEU 57 -10.225 -0.028 -7.889 438 H ASP 58 H ASP 58 -8.886 1.783 -2.725 439 HA ASP 58 HA ASP 58 -10.772 3.893 -2.475 440 HB2 ASP 58 2HB ASP 58 -9.758 2.242 -0.682 441 HB3 ASP 58 3HB ASP 58 -8.568 3.526 -0.487 442 H GLN 59 H GLN 59 -7.253 3.786 -2.780 443 HA GLN 59 HA GLN 59 -6.914 6.608 -2.460 444 HB2 GLN 59 2HB GLN 59 -5.181 4.291 -3.101 445 HB3 GLN 59 3HB GLN 59 -4.631 5.859 -3.677 446 HG2 GLN 59 2HG GLN 59 -3.872 6.363 -1.667 447 HG3 GLN 59 3HG GLN 59 -5.476 6.130 -0.974 448 HE21 GLN 59 1HE2 GLN 59 -3.124 3.906 -2.423 449 HE22 GLN 59 2HE2 GLN 59 -3.033 2.844 -1.063 450 H LEU 60 H LEU 60 -6.856 4.405 -5.249 451 HA LEU 60 HA LEU 60 -6.347 6.334 -7.213 452 HB2 LEU 60 2HB LEU 60 -7.597 3.624 -7.218 453 HB3 LEU 60 3HB LEU 60 -7.659 4.609 -8.678 454 HG LEU 60 HG LEU 60 -5.816 3.006 -8.740 455 HD11 LEU 60 1HD1 LEU 60 -5.733 5.480 -9.619 456 HD12 LEU 60 2HD1 LEU 60 -4.307 4.444 -9.681 457 HD13 LEU 60 3HD1 LEU 60 -4.473 5.639 -8.395 458 HD21 LEU 60 1HD2 LEU 60 -5.381 2.818 -6.356 459 HD22 LEU 60 2HD2 LEU 60 -4.807 4.486 -6.311 460 HD23 LEU 60 3HD2 LEU 60 -3.909 3.267 -7.218 461 H ARG 61 H ARG 61 -9.452 4.964 -6.132 462 HA ARG 61 HA ARG 61 -11.082 6.542 -7.789 463 HB2 ARG 61 2HB ARG 61 -11.965 4.559 -6.737 464 HB3 ARG 61 3HB ARG 61 -11.659 5.220 -5.136 465 HG2 ARG 61 2HG ARG 61 -13.341 6.923 -5.478 466 HG3 ARG 61 3HG ARG 61 -13.604 6.362 -7.130 467 HD2 ARG 61 2HD ARG 61 -14.260 4.144 -6.188 468 HD3 ARG 61 3HD ARG 61 -14.164 4.858 -4.579 469 HE ARG 61 HE ARG 61 -16.266 5.198 -6.498 470 HH11 ARG 61 1HH1 ARG 61 -14.622 6.653 -3.797 471 HH12 ARG 61 2HH1 ARG 61 -15.974 7.631 -3.333 472 HH21 ARG 61 1HH2 ARG 61 -18.054 6.480 -5.897 473 HH22 ARG 61 2HH2 ARG 61 -17.926 7.531 -4.528 474 H LEU 62 H LEU 62 -9.861 7.060 -4.514 475 HA LEU 62 HA LEU 62 -11.325 9.312 -3.818 476 HB2 LEU 62 2HB LEU 62 -9.968 8.213 -2.195 477 HB3 LEU 62 3HB LEU 62 -8.506 8.511 -3.133 478 HG LEU 62 HG LEU 62 -8.715 10.917 -2.661 479 HD11 LEU 62 1HD1 LEU 62 -10.328 11.767 -1.126 480 HD12 LEU 62 2HD1 LEU 62 -10.948 10.151 -0.793 481 HD13 LEU 62 3HD1 LEU 62 -11.197 10.880 -2.379 482 HD21 LEU 62 1HD2 LEU 62 -7.454 10.583 -0.862 483 HD22 LEU 62 2HD2 LEU 62 -7.914 8.881 -0.930 484 HD23 LEU 62 3HD2 LEU 62 -8.835 10.005 0.071 485 H VAL 63 H VAL 63 -8.274 9.089 -5.613 486 HA VAL 63 HA VAL 63 -7.905 11.884 -5.901 487 HB VAL 63 HB VAL 63 -6.848 9.729 -7.732 488 HG11 VAL 63 1HG1 VAL 63 -5.088 11.287 -8.232 489 HG12 VAL 63 2HG1 VAL 63 -6.640 12.085 -8.499 490 HG13 VAL 63 3HG1 VAL 63 -5.706 12.433 -7.043 491 HG21 VAL 63 1HG2 VAL 63 -5.667 8.943 -6.024 492 HG22 VAL 63 2HG2 VAL 63 -4.878 10.514 -5.883 493 HG23 VAL 63 3HG2 VAL 63 -6.334 10.171 -4.948 494 H ILE 64 H ILE 64 -9.286 9.409 -8.040 495 HA ILE 64 HA ILE 64 -9.800 11.042 -10.246 496 HB ILE 64 HB ILE 64 -11.383 8.648 -9.302 497 HG12 ILE 64 2HG1 ILE 64 -9.301 8.664 -11.471 498 HG13 ILE 64 3HG1 ILE 64 -8.839 8.459 -9.785 499 HG21 ILE 64 1HG2 ILE 64 -11.717 10.446 -11.549 500 HG22 ILE 64 2HG2 ILE 64 -11.490 8.776 -12.066 501 HG23 ILE 64 3HG2 ILE 64 -12.789 9.183 -10.945 502 HD11 ILE 64 1HD1 ILE 64 -10.455 6.651 -11.529 503 HD12 ILE 64 2HD1 ILE 64 -9.023 6.291 -10.565 504 HD13 ILE 64 3HD1 ILE 64 -10.575 6.561 -9.772 505 H CYS 65 H CYS 65 -11.620 10.533 -7.287 506 HA CYS 65 HA CYS 65 -13.987 11.856 -8.152 507 HB2 CYS 65 2HB CYS 65 -14.030 10.275 -6.291 508 HB3 CYS 65 3HB CYS 65 -12.951 11.310 -5.363 509 HG CYS 65 HG CYS 65 -15.175 11.931 -4.092 510 H ASP 66 H ASP 66 -11.528 12.882 -5.776 511 HA ASP 66 HA ASP 66 -12.366 15.517 -5.526 512 HB2 ASP 66 2HB ASP 66 -9.626 14.284 -5.227 513 HB3 ASP 66 3HB ASP 66 -9.969 15.965 -4.824 514 H LEU 67 H LEU 67 -10.016 14.118 -7.782 515 HA LEU 67 HA LEU 67 -9.151 16.478 -8.988 516 HB2 LEU 67 2HB LEU 67 -8.102 14.281 -9.313 517 HB3 LEU 67 3HB LEU 67 -9.499 13.764 -10.255 518 HG LEU 67 HG LEU 67 -8.938 15.596 -11.890 519 HD11 LEU 67 1HD1 LEU 67 -6.220 15.619 -10.638 520 HD12 LEU 67 2HD1 LEU 67 -7.462 16.759 -10.122 521 HD13 LEU 67 3HD1 LEU 67 -6.925 16.742 -11.801 522 HD21 LEU 67 1HD2 LEU 67 -6.989 14.330 -12.848 523 HD22 LEU 67 2HD2 LEU 67 -8.409 13.354 -12.470 524 HD23 LEU 67 3HD2 LEU 67 -7.012 13.335 -11.392 525 H GLN 68 H GLN 68 -11.841 14.336 -9.883 526 HA GLN 68 HA GLN 68 -12.685 15.657 -12.175 527 HB2 GLN 68 2HB GLN 68 -13.916 13.818 -10.218 528 HB3 GLN 68 3HB GLN 68 -15.043 14.782 -11.163 529 HG2 GLN 68 2HG GLN 68 -12.923 13.550 -12.749 530 HG3 GLN 68 3HG GLN 68 -13.971 12.395 -11.925 531 HE21 GLN 68 1HE2 GLN 68 -15.643 11.766 -13.065 532 HE22 GLN 68 2HE2 GLN 68 -16.463 12.687 -14.275 533 H GLU 69 H GLU 69 -13.570 16.238 -8.792 534 HA GLU 69 HA GLU 69 -15.513 18.193 -9.207 535 HB2 GLU 69 2HB GLU 69 -13.810 17.328 -6.969 536 HB3 GLU 69 3HB GLU 69 -14.347 18.999 -6.873 537 HG2 GLU 69 2HG GLU 69 -16.368 18.382 -6.227 538 HG3 GLU 69 3HG GLU 69 -16.537 17.296 -7.605 539 H ARG 70 H ARG 70 -12.013 18.565 -8.704 540 HA ARG 70 HA ARG 70 -11.967 21.373 -8.871 541 HB2 ARG 70 2HB ARG 70 -9.879 19.248 -9.287 542 HB3 ARG 70 3HB ARG 70 -9.508 20.950 -9.527 543 HG2 ARG 70 2HG ARG 70 -9.269 21.275 -7.349 544 HG3 ARG 70 3HG ARG 70 -10.844 20.552 -7.011 545 HD2 ARG 70 2HD ARG 70 -9.512 18.317 -7.495 546 HD3 ARG 70 3HD ARG 70 -8.140 19.316 -7.019 547 HE ARG 70 HE ARG 70 -10.128 18.224 -5.305 548 HH11 ARG 70 1HH1 ARG 70 -8.060 20.988 -5.756 549 HH12 ARG 70 2HH1 ARG 70 -8.002 21.384 -4.070 550 HH21 ARG 70 1HH2 ARG 70 -10.059 18.734 -3.082 551 HH22 ARG 70 2HH2 ARG 70 -9.139 20.100 -2.550 552 H ARG 71 H ARG 71 -11.770 18.854 -11.317 553 HA ARG 71 HA ARG 71 -10.931 20.392 -13.489 554 HB2 ARG 71 2HB ARG 71 -10.974 18.010 -13.691 555 HB3 ARG 71 3HB ARG 71 -12.698 17.951 -13.346 556 HG2 ARG 71 2HG ARG 71 -12.132 19.609 -15.645 557 HG3 ARG 71 3HG ARG 71 -11.499 17.974 -15.841 558 HD2 ARG 71 2HD ARG 71 -14.187 18.061 -14.705 559 HD3 ARG 71 3HD ARG 71 -14.083 18.761 -16.320 560 HE ARG 71 HE ARG 71 -13.802 15.988 -15.608 561 HH11 ARG 71 1HH1 ARG 71 -13.056 18.436 -17.968 562 HH12 ARG 71 2HH1 ARG 71 -12.860 17.308 -19.268 563 HH21 ARG 71 1HH2 ARG 71 -13.547 14.493 -17.312 564 HH22 ARG 71 2HH2 ARG 71 -13.141 15.065 -18.894 565 H GLU 72 H GLU 72 -14.230 19.658 -12.379 566 HA GLU 72 HA GLU 72 -15.579 21.101 -14.373 567 HB2 GLU 72 2HB GLU 72 -16.248 19.772 -11.886 568 HB3 GLU 72 3HB GLU 72 -17.171 21.256 -12.081 569 HG2 GLU 72 2HG GLU 72 -17.602 20.323 -14.482 570 HG3 GLU 72 3HG GLU 72 -17.189 18.781 -13.735 571 H LYS 73 H LYS 73 -14.721 22.053 -11.051 572 HA LYS 73 HA LYS 73 -15.717 24.659 -11.157 573 HB2 LYS 73 2HB LYS 73 -13.356 23.614 -9.584 574 HB3 LYS 73 3HB LYS 73 -14.197 25.126 -9.272 575 HG2 LYS 73 2HG LYS 73 -16.162 23.117 -9.300 576 HG3 LYS 73 3HG LYS 73 -14.811 22.491 -8.353 577 HD2 LYS 73 2HD LYS 73 -14.953 24.195 -6.787 578 HD3 LYS 73 3HD LYS 73 -15.807 25.275 -7.891 579 HE2 LYS 73 2HE LYS 73 -16.996 22.725 -6.818 580 HE3 LYS 73 3HE LYS 73 -17.192 24.289 -6.028 581 HZ1 LYS 73 1HZ LYS 73 -18.938 24.574 -7.346 582 HZ2 LYS 73 2HZ LYS 73 -18.551 23.232 -8.300 583 HZ3 LYS 73 3HZ LYS 73 -17.864 24.739 -8.643 584 H PHE 74 H PHE 74 -12.834 23.280 -12.489 585 HA PHE 74 HA PHE 74 -11.581 25.856 -12.947 586 HB2 PHE 74 2HB PHE 74 -10.319 23.707 -12.413 587 HB3 PHE 74 3HB PHE 74 -10.694 23.194 -14.055 588 HD1 PHE 74 HD1 PHE 74 -9.641 26.487 -12.663 589 HD2 PHE 74 HD2 PHE 74 -8.752 23.254 -15.285 590 HE1 PHE 74 HE1 PHE 74 -7.667 27.703 -13.487 591 HE2 PHE 74 HE2 PHE 74 -6.776 24.465 -16.113 592 HZ PHE 74 HZ PHE 74 -6.231 26.692 -15.214 593 H GLY 75 H GLY 75 -13.584 23.583 -14.632 594 HA2 GLY 75 2HA GLY 75 -14.888 24.369 -16.507 595 HA3 GLY 75 3HA GLY 75 -13.515 25.357 -16.985 596 H SER 76 H SER 76 -14.081 24.261 -19.082 597 HA SER 76 HA SER 76 -13.299 21.488 -19.322 598 HB2 SER 76 2HB SER 76 -14.585 23.507 -21.041 599 HB3 SER 76 3HB SER 76 -13.531 22.379 -21.894 600 HG SER 76 HG SER 76 -15.968 21.925 -21.213 601 H SER 77 H SER 77 -11.509 20.697 -20.424 602 HA SER 77 HA SER 77 -9.611 22.235 -21.795 603 HB2 SER 77 2HB SER 77 -8.622 23.299 -20.062 604 HB3 SER 77 3HB SER 77 -9.349 22.223 -18.869 605 HG SER 77 HG SER 77 -6.885 22.231 -19.482 606 H LYS 78 H LYS 78 -8.592 20.832 -23.053 607 HA LYS 78 HA LYS 78 -8.878 18.070 -22.869 608 HB2 LYS 78 2HB LYS 78 -6.692 19.610 -24.282 609 HB3 LYS 78 3HB LYS 78 -7.135 17.937 -24.594 610 HG2 LYS 78 2HG LYS 78 -9.362 19.824 -24.798 611 HG3 LYS 78 3HG LYS 78 -8.067 20.089 -25.969 612 HD2 LYS 78 2HD LYS 78 -9.323 18.569 -27.125 613 HD3 LYS 78 3HD LYS 78 -8.266 17.465 -26.242 614 HE2 LYS 78 2HE LYS 78 -9.959 16.639 -25.026 615 HE3 LYS 78 3HE LYS 78 -10.667 18.232 -24.763 616 HZ1 LYS 78 1HZ LYS 78 -11.882 18.106 -26.707 617 HZ2 LYS 78 2HZ LYS 78 -11.960 16.514 -26.140 618 HZ3 LYS 78 3HZ LYS 78 -10.893 16.915 -27.391 619 H GLU 79 H GLU 79 -6.615 20.187 -21.339 620 HA GLU 79 HA GLU 79 -4.593 18.277 -20.773 621 HB2 GLU 79 2HB GLU 79 -5.302 20.984 -19.710 622 HB3 GLU 79 3HB GLU 79 -4.117 20.006 -18.857 623 HG2 GLU 79 2HG GLU 79 -2.654 21.013 -20.211 624 HG3 GLU 79 3HG GLU 79 -3.192 19.817 -21.389 625 H ILE 80 H ILE 80 -7.004 19.755 -18.594 626 HA ILE 80 HA ILE 80 -6.575 17.981 -16.464 627 HB ILE 80 HB ILE 80 -7.710 20.092 -16.112 628 HG12 ILE 80 2HG1 ILE 80 -9.605 19.304 -14.741 629 HG13 ILE 80 3HG1 ILE 80 -9.531 17.740 -15.546 630 HG21 ILE 80 1HG2 ILE 80 -10.009 18.943 -17.689 631 HG22 ILE 80 2HG2 ILE 80 -9.945 20.529 -16.921 632 HG23 ILE 80 3HG2 ILE 80 -8.884 20.165 -18.282 633 HD11 ILE 80 1HD1 ILE 80 -7.215 18.877 -14.017 634 HD12 ILE 80 2HD1 ILE 80 -8.470 17.892 -13.265 635 HD13 ILE 80 3HD1 ILE 80 -7.469 17.215 -14.549 636 H ASP 81 H ASP 81 -8.772 17.844 -19.213 637 HA ASP 81 HA ASP 81 -10.367 15.701 -18.380 638 HB2 ASP 81 2HB ASP 81 -10.998 17.042 -20.291 639 HB3 ASP 81 3HB ASP 81 -9.547 16.555 -21.162 640 H MET 82 H MET 82 -7.325 15.735 -20.206 641 HA MET 82 HA MET 82 -7.168 12.971 -20.673 642 HB2 MET 82 2HB MET 82 -5.468 15.279 -21.001 643 HB3 MET 82 3HB MET 82 -4.535 13.915 -20.399 644 HG2 MET 82 2HG MET 82 -5.782 12.621 -22.302 645 HG3 MET 82 3HG MET 82 -5.982 14.236 -22.977 646 HE1 MET 82 1HE MET 82 -2.196 11.791 -22.442 647 HE2 MET 82 2HE MET 82 -3.787 11.536 -21.724 648 HE3 MET 82 3HE MET 82 -3.535 11.226 -23.443 649 H ALA 83 H ALA 83 -5.686 14.954 -18.112 650 HA ALA 83 HA ALA 83 -4.349 12.978 -16.727 651 HB1 ALA 83 1HB ALA 83 -5.740 15.017 -15.093 652 HB2 ALA 83 2HB ALA 83 -4.048 14.520 -15.091 653 HB3 ALA 83 3HB ALA 83 -4.648 15.601 -16.349 654 H ILE 84 H ILE 84 -7.762 13.863 -16.568 655 HA ILE 84 HA ILE 84 -8.423 12.203 -14.370 656 HB ILE 84 HB ILE 84 -10.195 13.230 -16.590 657 HG12 ILE 84 2HG1 ILE 84 -10.136 14.331 -13.808 658 HG13 ILE 84 3HG1 ILE 84 -8.878 14.813 -14.941 659 HG21 ILE 84 1HG2 ILE 84 -10.706 11.474 -14.328 660 HG22 ILE 84 2HG2 ILE 84 -11.746 12.896 -14.341 661 HG23 ILE 84 3HG2 ILE 84 -11.704 11.822 -15.739 662 HD11 ILE 84 1HD1 ILE 84 -11.795 15.051 -15.590 663 HD12 ILE 84 2HD1 ILE 84 -10.896 16.321 -14.760 664 HD13 ILE 84 3HD1 ILE 84 -10.425 15.825 -16.385 665 H VAL 85 H VAL 85 -9.070 11.770 -17.854 666 HA VAL 85 HA VAL 85 -10.101 9.214 -17.773 667 HB VAL 85 HB VAL 85 -8.334 10.384 -19.927 668 HG11 VAL 85 1HG1 VAL 85 -10.139 7.981 -19.877 669 HG12 VAL 85 2HG1 VAL 85 -9.666 8.777 -21.379 670 HG13 VAL 85 3HG1 VAL 85 -8.437 8.067 -20.331 671 HG21 VAL 85 1HG2 VAL 85 -10.930 10.462 -20.816 672 HG22 VAL 85 2HG2 VAL 85 -11.092 10.879 -19.110 673 HG23 VAL 85 3HG2 VAL 85 -10.031 11.826 -20.153 674 H THR 86 H THR 86 -6.721 10.228 -17.825 675 HA THR 86 HA THR 86 -5.595 7.657 -18.150 676 HB THR 86 HB THR 86 -4.407 10.128 -16.873 677 HG1 THR 86 HG1 THR 86 -3.352 10.198 -18.994 678 HG21 THR 86 1HG2 THR 86 -2.416 8.483 -18.004 679 HG22 THR 86 2HG2 THR 86 -3.426 7.438 -17.004 680 HG23 THR 86 3HG2 THR 86 -2.664 8.865 -16.300 681 H LEU 87 H LEU 87 -6.392 9.570 -15.279 682 HA LEU 87 HA LEU 87 -5.255 7.922 -13.341 683 HB2 LEU 87 2HB LEU 87 -6.536 10.255 -13.258 684 HB3 LEU 87 3HB LEU 87 -7.858 9.210 -12.742 685 HG LEU 87 HG LEU 87 -5.195 9.584 -11.378 686 HD11 LEU 87 1HD1 LEU 87 -7.755 10.856 -11.141 687 HD12 LEU 87 2HD1 LEU 87 -6.247 11.210 -10.300 688 HD13 LEU 87 3HD1 LEU 87 -7.357 10.006 -9.648 689 HD21 LEU 87 1HD2 LEU 87 -5.524 7.410 -10.830 690 HD22 LEU 87 2HD2 LEU 87 -7.260 7.478 -11.135 691 HD23 LEU 87 3HD2 LEU 87 -6.601 8.132 -9.635 692 H LYS 88 H LYS 88 -8.461 7.805 -14.837 693 HA LYS 88 HA LYS 88 -9.480 5.694 -13.264 694 HB2 LYS 88 2HB LYS 88 -10.276 6.273 -16.113 695 HB3 LYS 88 3HB LYS 88 -11.261 5.571 -14.837 696 HG2 LYS 88 2HG LYS 88 -10.507 8.026 -13.813 697 HG3 LYS 88 3HG LYS 88 -10.814 8.347 -15.522 698 HD2 LYS 88 2HD LYS 88 -12.941 6.793 -14.929 699 HD3 LYS 88 3HD LYS 88 -12.676 7.574 -13.368 700 HE2 LYS 88 2HE LYS 88 -12.627 9.284 -15.793 701 HE3 LYS 88 3HE LYS 88 -14.189 8.657 -15.270 702 HZ1 LYS 88 1HZ LYS 88 -13.861 10.753 -14.238 703 HZ2 LYS 88 2HZ LYS 88 -12.313 10.335 -13.702 704 HZ3 LYS 88 3HZ LYS 88 -13.671 9.580 -13.033 705 H VAL 89 H VAL 89 -7.834 5.738 -16.404 706 HA VAL 89 HA VAL 89 -8.007 2.939 -16.847 707 HB VAL 89 HB VAL 89 -6.054 4.941 -17.992 708 HG11 VAL 89 1HG1 VAL 89 -5.703 3.297 -19.767 709 HG12 VAL 89 2HG1 VAL 89 -5.236 2.650 -18.193 710 HG13 VAL 89 3HG1 VAL 89 -6.763 2.163 -18.930 711 HG21 VAL 89 1HG2 VAL 89 -8.234 3.882 -19.651 712 HG22 VAL 89 2HG2 VAL 89 -8.748 4.926 -18.326 713 HG23 VAL 89 3HG2 VAL 89 -7.598 5.522 -19.523 714 H PHE 90 H PHE 90 -5.804 4.968 -15.079 715 HA PHE 90 HA PHE 90 -3.643 3.137 -14.920 716 HB2 PHE 90 2HB PHE 90 -4.021 5.759 -14.204 717 HB3 PHE 90 3HB PHE 90 -3.965 4.956 -12.638 718 HD1 PHE 90 HD1 PHE 90 -2.014 6.805 -14.580 719 HD2 PHE 90 HD2 PHE 90 -2.022 2.877 -12.939 720 HE1 PHE 90 HE1 PHE 90 0.443 6.752 -14.703 721 HE2 PHE 90 HE2 PHE 90 0.434 2.819 -13.059 722 HZ PHE 90 HZ PHE 90 1.670 4.758 -13.940 723 H ALA 91 H ALA 91 -6.362 3.860 -12.759 724 HA ALA 91 HA ALA 91 -5.619 2.022 -10.736 725 HB1 ALA 91 1HB ALA 91 -7.693 2.485 -9.737 726 HB2 ALA 91 2HB ALA 91 -7.232 3.981 -10.549 727 HB3 ALA 91 3HB ALA 91 -8.434 2.917 -11.278 728 H VAL 92 H VAL 92 -7.722 1.783 -13.566 729 HA VAL 92 HA VAL 92 -8.653 -0.850 -12.962 730 HB VAL 92 HB VAL 92 -8.665 0.644 -15.588 731 HG11 VAL 92 1HG1 VAL 92 -9.859 -1.962 -14.725 732 HG12 VAL 92 2HG1 VAL 92 -10.628 -0.994 -15.985 733 HG13 VAL 92 3HG1 VAL 92 -8.975 -1.572 -16.201 734 HG21 VAL 92 1HG2 VAL 92 -10.849 1.357 -15.068 735 HG22 VAL 92 2HG2 VAL 92 -10.972 0.252 -13.699 736 HG23 VAL 92 3HG2 VAL 92 -9.904 1.652 -13.609 737 H ALA 93 H ALA 93 -6.559 0.310 -15.611 738 HA ALA 93 HA ALA 93 -5.645 -2.255 -16.337 739 HB1 ALA 93 1HB ALA 93 -5.564 -0.318 -17.839 740 HB2 ALA 93 2HB ALA 93 -4.316 0.408 -16.825 741 HB3 ALA 93 3HB ALA 93 -3.989 -1.097 -17.685 742 H GLY 94 H GLY 94 -4.857 -0.274 -13.694 743 HA2 GLY 94 2HA GLY 94 -2.223 -1.518 -13.342 744 HA3 GLY 94 3HA GLY 94 -2.844 -0.148 -12.433 745 H LEU 95 H LEU 95 -4.752 -0.643 -11.003 746 HA LEU 95 HA LEU 95 -4.068 -2.632 -9.160 747 HB2 LEU 95 2HB LEU 95 -6.827 -1.479 -9.463 748 HB3 LEU 95 3HB LEU 95 -6.047 -2.064 -7.995 749 HG LEU 95 HG LEU 95 -5.435 0.476 -9.499 750 HD11 LEU 95 1HD1 LEU 95 -7.223 -0.167 -7.386 751 HD12 LEU 95 2HD1 LEU 95 -6.890 1.405 -8.113 752 HD13 LEU 95 3HD1 LEU 95 -5.935 0.849 -6.739 753 HD21 LEU 95 1HD2 LEU 95 -3.802 0.898 -7.683 754 HD22 LEU 95 2HD2 LEU 95 -3.349 -0.446 -8.732 755 HD23 LEU 95 3HD2 LEU 95 -4.031 -0.764 -7.136 756 H LEU 96 H LEU 96 -6.542 -2.594 -11.697 757 HA LEU 96 HA LEU 96 -7.309 -5.331 -11.090 758 HB2 LEU 96 2HB LEU 96 -8.482 -3.087 -12.453 759 HB3 LEU 96 3HB LEU 96 -8.514 -4.514 -13.487 760 HG LEU 96 HG LEU 96 -9.615 -5.721 -11.544 761 HD11 LEU 96 1HD1 LEU 96 -8.913 -3.886 -9.915 762 HD12 LEU 96 2HD1 LEU 96 -10.557 -4.510 -9.778 763 HD13 LEU 96 3HD1 LEU 96 -10.265 -2.960 -10.567 764 HD21 LEU 96 1HD2 LEU 96 -11.273 -5.408 -13.001 765 HD22 LEU 96 2HD2 LEU 96 -10.713 -3.788 -13.418 766 HD23 LEU 96 3HD2 LEU 96 -11.742 -4.030 -12.005 767 H ASN 97 H ASN 97 -4.862 -3.908 -12.769 768 HA ASN 97 HA ASN 97 -3.451 -4.544 -14.443 769 HB2 ASN 97 2HB ASN 97 -4.380 -7.297 -13.593 770 HB3 ASN 97 3HB ASN 97 -2.926 -6.947 -14.523 771 HD21 ASN 97 1HD2 ASN 97 -1.546 -5.166 -13.399 772 HD22 ASN 97 2HD2 ASN 97 -1.243 -5.444 -11.721 773 H MET 98 H MET 98 -6.220 -3.996 -15.187 774 HA MET 98 HA MET 98 -7.039 -5.878 -17.168 775 HB2 MET 98 2HB MET 98 -8.405 -4.033 -15.892 776 HB3 MET 98 3HB MET 98 -7.892 -3.010 -17.227 777 HG2 MET 98 2HG MET 98 -9.845 -3.745 -18.090 778 HG3 MET 98 3HG MET 98 -8.802 -5.053 -18.646 779 HE1 MET 98 1HE MET 98 -10.091 -7.069 -18.873 780 HE2 MET 98 2HE MET 98 -11.449 -7.568 -17.866 781 HE3 MET 98 3HE MET 98 -11.567 -6.103 -18.841 782 H THR 99 H THR 99 -7.090 -5.546 -19.457 783 HA THR 99 HA THR 99 -4.914 -3.812 -20.434 784 HB THR 99 HB THR 99 -4.251 -6.139 -20.637 785 HG1 THR 99 HG1 THR 99 -3.807 -6.096 -22.850 786 HG21 THR 99 1HG2 THR 99 -6.039 -7.542 -20.741 787 HG22 THR 99 2HG2 THR 99 -5.735 -7.405 -22.473 788 HG23 THR 99 3HG2 THR 99 -6.994 -6.428 -21.718 789 H VAL 100 H VAL 100 -7.284 -2.614 -20.297 790 HA VAL 100 HA VAL 100 -9.163 -2.929 -22.287 791 HB VAL 100 HB VAL 100 -9.258 -1.280 -20.389 792 HG11 VAL 100 1HG1 VAL 100 -8.193 0.933 -21.904 793 HG12 VAL 100 2HG1 VAL 100 -7.847 0.435 -20.246 794 HG13 VAL 100 3HG1 VAL 100 -6.950 -0.277 -21.588 795 HG21 VAL 100 1HG2 VAL 100 -9.909 0.336 -22.758 796 HG22 VAL 100 2HG2 VAL 100 -10.568 -1.300 -22.758 797 HG23 VAL 100 3HG2 VAL 100 -10.939 -0.201 -21.430 798 H SER 101 H SER 101 -9.507 -1.829 -24.299 799 HA SER 101 HA SER 101 -7.206 -1.868 -25.980 800 HB2 SER 101 2HB SER 101 -9.732 -0.602 -26.926 801 HB3 SER 101 3HB SER 101 -8.679 -1.759 -27.740 802 HG SER 101 HG SER 101 -10.722 -2.639 -27.059 803 H THR 102 H THR 102 -9.469 0.748 -25.112 804 HA THR 102 HA THR 102 -7.277 2.663 -25.583 805 HB THR 102 HB THR 102 -8.795 4.276 -26.449 806 HG1 THR 102 HG1 THR 102 -10.858 4.236 -25.971 807 HG21 THR 102 1HG2 THR 102 -8.101 2.392 -27.975 808 HG22 THR 102 2HG2 THR 102 -9.567 3.247 -28.455 809 HG23 THR 102 3HG2 THR 102 -9.682 1.669 -27.676 810 H ALA 103 H ALA 103 -7.297 4.577 -24.280 811 HA ALA 103 HA ALA 103 -7.733 4.139 -21.566 812 HB1 ALA 103 1HB ALA 103 -6.522 5.989 -21.412 813 HB2 ALA 103 2HB ALA 103 -6.641 6.185 -23.162 814 HB3 ALA 103 3HB ALA 103 -7.833 6.944 -22.107 815 H ALA 104 H ALA 104 -9.805 5.615 -23.995 816 HA ALA 104 HA ALA 104 -11.733 6.697 -22.244 817 HB1 ALA 104 1HB ALA 104 -11.395 7.138 -24.748 818 HB2 ALA 104 2HB ALA 104 -12.383 5.697 -24.996 819 HB3 ALA 104 3HB ALA 104 -13.047 7.084 -24.133 820 H ALA 105 H ALA 105 -11.552 3.571 -23.918 821 HA ALA 105 HA ALA 105 -14.025 2.551 -23.119 822 HB1 ALA 105 1HB ALA 105 -12.404 0.334 -23.237 823 HB2 ALA 105 2HB ALA 105 -13.247 1.072 -24.599 824 HB3 ALA 105 3HB ALA 105 -11.567 1.495 -24.268 825 H ALA 106 H ALA 106 -10.868 2.426 -21.521 826 HA ALA 106 HA ALA 106 -11.620 0.746 -19.390 827 HB1 ALA 106 1HB ALA 106 -9.616 2.599 -18.544 828 HB2 ALA 106 2HB ALA 106 -9.452 0.890 -18.947 829 HB3 ALA 106 3HB ALA 106 -9.296 2.112 -20.209 830 H GLU 107 H GLU 107 -11.406 4.298 -19.582 831 HA GLU 107 HA GLU 107 -12.238 4.867 -16.986 832 HB2 GLU 107 2HB GLU 107 -11.301 6.611 -18.326 833 HB3 GLU 107 3HB GLU 107 -12.550 6.426 -19.550 834 HG2 GLU 107 2HG GLU 107 -13.631 7.025 -16.920 835 HG3 GLU 107 3HG GLU 107 -12.531 8.268 -17.514 836 H ASN 108 H ASN 108 -14.155 4.453 -19.941 837 HA ASN 108 HA ASN 108 -16.659 5.099 -18.915 838 HB2 ASN 108 2HB ASN 108 -15.618 3.899 -21.296 839 HB3 ASN 108 3HB ASN 108 -17.003 2.958 -20.749 840 HD21 ASN 108 1HD2 ASN 108 -18.162 3.646 -22.577 841 HD22 ASN 108 2HD2 ASN 108 -18.846 5.230 -22.662 842 H MET 109 H MET 109 -15.008 1.955 -19.012 843 HA MET 109 HA MET 109 -17.110 0.517 -17.762 844 HB2 MET 109 2HB MET 109 -15.188 -0.423 -19.150 845 HB3 MET 109 3HB MET 109 -14.195 -0.247 -17.709 846 HG2 MET 109 2HG MET 109 -16.588 -1.600 -16.992 847 HG3 MET 109 3HG MET 109 -15.910 -2.375 -18.422 848 HE1 MET 109 1HE MET 109 -15.801 -3.905 -15.067 849 HE2 MET 109 2HE MET 109 -14.813 -2.739 -14.186 850 HE3 MET 109 3HE MET 109 -16.270 -2.205 -15.026 851 H TYR 110 H TYR 110 -14.226 2.151 -16.559 852 HA TYR 110 HA TYR 110 -14.192 1.228 -13.947 853 HB2 TYR 110 2HB TYR 110 -12.427 2.638 -14.927 854 HB3 TYR 110 3HB TYR 110 -13.523 4.015 -14.917 855 HD1 TYR 110 HD1 TYR 110 -13.344 5.504 -13.166 856 HD2 TYR 110 HD2 TYR 110 -12.169 1.463 -12.541 857 HE1 TYR 110 HE1 TYR 110 -12.612 6.075 -10.889 858 HE2 TYR 110 HE2 TYR 110 -11.436 2.023 -10.261 859 HH TYR 110 HH TYR 110 -12.285 4.837 -8.695 860 H SER 111 H SER 111 -16.035 3.910 -15.345 861 HA SER 111 HA SER 111 -17.319 4.478 -12.807 862 HB2 SER 111 2HB SER 111 -16.674 6.251 -14.511 863 HB3 SER 111 3HB SER 111 -18.010 5.661 -15.500 864 HG SER 111 HG SER 111 -18.228 7.465 -13.728 865 H GLN 112 H GLN 112 -18.020 2.825 -15.801 866 HA GLN 112 HA GLN 112 -20.806 2.646 -15.598 867 HB2 GLN 112 2HB GLN 112 -19.579 2.049 -17.631 868 HB3 GLN 112 3HB GLN 112 -18.860 0.672 -16.805 869 HG2 GLN 112 2HG GLN 112 -20.904 -0.475 -16.706 870 HG3 GLN 112 3HG GLN 112 -21.827 0.971 -17.113 871 HE21 GLN 112 1HE2 GLN 112 -21.036 -1.874 -18.298 872 HE22 GLN 112 2HE2 GLN 112 -20.909 -1.517 -19.983 873 H MET 113 H MET 113 -18.277 0.975 -13.918 874 HA MET 113 HA MET 113 -20.049 -1.096 -12.923 875 HB2 MET 113 2HB MET 113 -17.783 -1.756 -13.379 876 HB3 MET 113 3HB MET 113 -17.148 -0.458 -12.377 877 HG2 MET 113 2HG MET 113 -17.578 -1.555 -10.431 878 HG3 MET 113 3HG MET 113 -18.946 -2.440 -11.103 879 HE1 MET 113 1HE MET 113 -15.071 -3.086 -10.067 880 HE2 MET 113 2HE MET 113 -16.615 -3.129 -9.215 881 HE3 MET 113 3HE MET 113 -15.836 -4.634 -9.707 882 H GLY 114 H GLY 114 -18.898 2.015 -11.972 883 HA2 GLY 114 2HA GLY 114 -20.156 3.211 -10.281 884 HA3 GLY 114 3HA GLY 114 -20.312 1.697 -9.403 885 H LEU 115 H LEU 115 -17.284 2.602 -10.854 886 HA LEU 115 HA LEU 115 -16.105 2.770 -8.186 887 HB2 LEU 115 2HB LEU 115 -14.592 2.794 -10.774 888 HB3 LEU 115 3HB LEU 115 -14.035 2.300 -9.177 889 HG LEU 115 HG LEU 115 -15.903 0.791 -11.000 890 HD11 LEU 115 1HD1 LEU 115 -13.040 0.540 -10.223 891 HD12 LEU 115 2HD1 LEU 115 -13.810 0.310 -11.792 892 HD13 LEU 115 3HD1 LEU 115 -13.971 -0.923 -10.543 893 HD21 LEU 115 1HD2 LEU 115 -16.795 0.079 -9.055 894 HD22 LEU 115 2HD2 LEU 115 -15.399 0.585 -8.103 895 HD23 LEU 115 3HD2 LEU 115 -15.349 -0.930 -9.005 896 H ASP 116 H ASP 116 -16.860 4.730 -10.931 897 HA ASP 116 HA ASP 116 -15.433 6.996 -9.698 898 HB2 ASP 116 2HB ASP 116 -14.437 6.725 -11.803 899 HB3 ASP 116 3HB ASP 116 -15.966 6.318 -12.577 900 H THR 117 H THR 117 -16.871 8.110 -8.539 901 HA THR 117 HA THR 117 -19.628 8.154 -8.869 902 HB THR 117 HB THR 117 -18.637 8.914 -6.803 903 HG1 THR 117 HG1 THR 117 -19.889 10.796 -6.537 904 HG21 THR 117 1HG2 THR 117 -17.600 11.269 -6.814 905 HG22 THR 117 2HG2 THR 117 -17.389 11.017 -8.547 906 HG23 THR 117 3HG2 THR 117 -16.612 9.930 -7.397 907 H ARG 118 H ARG 118 -21.069 9.585 -9.825 908 HA ARG 118 HA ARG 118 -19.903 11.348 -11.878 909 HB2 ARG 118 2HB ARG 118 -22.537 9.864 -11.950 910 HB3 ARG 118 3HB ARG 118 -21.939 10.944 -13.203 911 HG2 ARG 118 2HG ARG 118 -20.090 9.453 -13.655 912 HG3 ARG 118 3HG ARG 118 -20.592 8.395 -12.336 913 HD2 ARG 118 2HD ARG 118 -22.143 7.394 -13.595 914 HD3 ARG 118 3HD ARG 118 -22.737 8.931 -14.224 915 HE ARG 118 HE ARG 118 -20.233 8.074 -15.362 916 HH11 ARG 118 1HH1 ARG 118 -23.704 7.930 -15.592 917 HH12 ARG 118 2HH1 ARG 118 -23.706 7.544 -17.281 918 HH21 ARG 118 1HH2 ARG 118 -20.223 7.566 -17.586 919 HH22 ARG 118 2HH2 ARG 118 -21.726 7.337 -18.414 920 HA PRO 119 HA PRO 119 -22.286 13.978 -8.875 921 HB2 PRO 119 2HB PRO 119 -20.382 15.903 -8.685 922 HB3 PRO 119 3HB PRO 119 -20.392 14.459 -7.666 923 HG2 PRO 119 2HG PRO 119 -18.800 15.023 -10.138 924 HG3 PRO 119 3HG PRO 119 -18.280 14.267 -8.620 925 HD2 PRO 119 2HD PRO 119 -18.875 12.828 -10.834 926 HD3 PRO 119 3HD PRO 119 -19.161 12.216 -9.193 Start of MODEL 2 1 H1 GLY 2 H GLY 2 0.900 3.257 3.299 2 HA2 GLY 2 2HA GLY 2 3.256 1.742 2.386 3 HA3 GLY 2 3HA GLY 2 1.641 1.193 1.958 4 H ASN 3 H ASN 3 3.970 2.178 0.335 5 HA ASN 3 HA ASN 3 2.481 3.582 -1.614 6 HB2 ASN 3 2HB ASN 3 3.265 5.289 0.339 7 HB3 ASN 3 3HB ASN 3 4.666 5.366 -0.726 8 HD21 ASN 3 1HD2 ASN 3 4.262 5.879 -2.986 9 HD22 ASN 3 2HD2 ASN 3 2.953 6.935 -3.381 10 H LEU 4 H LEU 4 3.751 4.076 -3.532 11 HA LEU 4 HA LEU 4 5.250 3.481 -5.136 12 HB2 LEU 4 2HB LEU 4 6.663 4.608 -3.090 13 HB3 LEU 4 3HB LEU 4 7.488 3.064 -3.293 14 HG LEU 4 HG LEU 4 8.569 4.871 -4.551 15 HD11 LEU 4 1HD1 LEU 4 7.257 2.812 -6.320 16 HD12 LEU 4 2HD1 LEU 4 8.708 2.560 -5.351 17 HD13 LEU 4 3HD1 LEU 4 8.728 3.717 -6.682 18 HD21 LEU 4 1HD2 LEU 4 7.532 6.172 -6.118 19 HD22 LEU 4 2HD2 LEU 4 6.197 5.931 -4.992 20 HD23 LEU 4 3HD2 LEU 4 6.293 4.966 -6.465 21 H LYS 5 H LYS 5 3.833 1.385 -3.540 22 HA LYS 5 HA LYS 5 5.370 -0.853 -3.031 23 HB2 LYS 5 2HB LYS 5 2.755 -0.357 -2.875 24 HB3 LYS 5 3HB LYS 5 2.749 -1.258 -4.385 25 HG2 LYS 5 2HG LYS 5 2.490 -3.011 -2.999 26 HG3 LYS 5 3HG LYS 5 4.248 -2.905 -2.897 27 HD2 LYS 5 2HD LYS 5 4.183 -1.855 -0.813 28 HD3 LYS 5 3HD LYS 5 2.499 -1.367 -1.009 29 HE2 LYS 5 2HE LYS 5 2.194 -4.022 -1.130 30 HE3 LYS 5 3HE LYS 5 3.646 -3.953 -0.133 31 HZ1 LYS 5 1HZ LYS 5 0.970 -2.840 0.441 32 HZ2 LYS 5 2HZ LYS 5 2.345 -2.280 1.251 33 HZ3 LYS 5 3HZ LYS 5 1.894 -3.905 1.377 34 H SER 6 H SER 6 6.833 -1.765 -4.309 35 HA SER 6 HA SER 6 6.989 -1.468 -7.085 36 HB2 SER 6 2HB SER 6 8.721 -2.346 -5.257 37 HB3 SER 6 3HB SER 6 8.160 -3.911 -5.841 38 HG SER 6 HG SER 6 9.822 -3.390 -7.156 39 H ARG 7 H ARG 7 5.081 -3.573 -5.165 40 HA ARG 7 HA ARG 7 4.717 -5.679 -7.026 41 HB2 ARG 7 2HB ARG 7 4.105 -5.442 -4.452 42 HB3 ARG 7 3HB ARG 7 2.549 -4.957 -5.112 43 HG2 ARG 7 2HG ARG 7 1.997 -7.064 -5.502 44 HG3 ARG 7 3HG ARG 7 3.472 -7.326 -6.434 45 HD2 ARG 7 2HD ARG 7 4.659 -8.073 -4.586 46 HD3 ARG 7 3HD ARG 7 3.569 -7.287 -3.446 47 HE ARG 7 HE ARG 7 2.082 -9.208 -4.775 48 HH11 ARG 7 1HH1 ARG 7 4.865 -9.096 -2.685 49 HH12 ARG 7 2HH1 ARG 7 4.576 -10.661 -2.001 50 HH21 ARG 7 1HH2 ARG 7 1.692 -11.271 -3.881 51 HH22 ARG 7 2HH2 ARG 7 2.773 -11.898 -2.682 52 H ASP 8 H ASP 8 2.478 -3.058 -6.098 53 HA ASP 8 HA ASP 8 0.801 -3.514 -8.372 54 HB2 ASP 8 2HB ASP 8 0.276 -2.449 -6.001 55 HB3 ASP 8 3HB ASP 8 0.684 -0.955 -6.840 56 H TRP 9 H TRP 9 3.523 -1.486 -7.665 57 HA TRP 9 HA TRP 9 3.132 0.438 -9.709 58 HB2 TRP 9 2HB TRP 9 4.635 0.959 -7.914 59 HB3 TRP 9 3HB TRP 9 5.609 -0.472 -8.238 60 HD1 TRP 9 HD1 TRP 9 7.870 0.386 -9.078 61 HE1 TRP 9 HE1 TRP 9 8.653 2.082 -10.849 62 HE3 TRP 9 HE3 TRP 9 3.324 2.272 -10.461 63 HZ2 TRP 9 HZ2 TRP 9 7.497 3.969 -12.601 64 HZ3 TRP 9 HZ3 TRP 9 3.250 4.021 -12.191 65 HH2 TRP 9 HH2 TRP 9 5.294 4.851 -13.237 66 H LYS 10 H LYS 10 5.161 -2.485 -9.556 67 HA LYS 10 HA LYS 10 6.008 -2.279 -12.273 68 HB2 LYS 10 2HB LYS 10 7.398 -3.440 -10.674 69 HB3 LYS 10 3HB LYS 10 6.103 -4.571 -10.305 70 HG2 LYS 10 2HG LYS 10 6.941 -4.434 -13.128 71 HG3 LYS 10 3HG LYS 10 8.110 -5.112 -11.993 72 HD2 LYS 10 2HD LYS 10 5.864 -6.381 -11.195 73 HD3 LYS 10 3HD LYS 10 5.519 -6.177 -12.913 74 HE2 LYS 10 2HE LYS 10 6.674 -8.103 -13.101 75 HE3 LYS 10 3HE LYS 10 8.072 -7.031 -13.036 76 HZ1 LYS 10 1HZ LYS 10 7.026 -8.850 -11.000 77 HZ2 LYS 10 2HZ LYS 10 7.740 -7.412 -10.468 78 HZ3 LYS 10 3HZ LYS 10 8.628 -8.498 -11.412 79 H MET 11 H MET 11 3.367 -3.868 -10.616 80 HA MET 11 HA MET 11 2.601 -5.540 -12.797 81 HB2 MET 11 2HB MET 11 1.302 -4.693 -10.230 82 HB3 MET 11 3HB MET 11 0.374 -5.561 -11.445 83 HG2 MET 11 2HG MET 11 2.986 -6.711 -10.678 84 HG3 MET 11 3HG MET 11 1.693 -6.778 -9.483 85 HE1 MET 11 1HE MET 11 3.252 -9.350 -11.271 86 HE2 MET 11 2HE MET 11 2.405 -9.351 -9.724 87 HE3 MET 11 3HE MET 11 1.851 -10.397 -11.033 88 H ALA 12 H ALA 12 1.399 -2.444 -11.534 89 HA ALA 12 HA ALA 12 -0.684 -2.087 -13.373 90 HB1 ALA 12 1HB ALA 12 -0.489 -0.766 -11.337 91 HB2 ALA 12 2HB ALA 12 0.963 0.013 -11.967 92 HB3 ALA 12 3HB ALA 12 -0.593 0.278 -12.755 93 H ILE 13 H ILE 13 2.648 -0.825 -13.449 94 HA ILE 13 HA ILE 13 2.421 0.434 -15.960 95 HB ILE 13 HB ILE 13 4.880 -0.613 -14.555 96 HG12 ILE 13 2HG1 ILE 13 3.543 1.142 -13.363 97 HG13 ILE 13 3HG1 ILE 13 5.182 1.640 -13.767 98 HG21 ILE 13 1HG2 ILE 13 5.635 -0.369 -16.717 99 HG22 ILE 13 2HG2 ILE 13 4.516 0.946 -17.072 100 HG23 ILE 13 3HG2 ILE 13 5.932 1.240 -16.061 101 HD11 ILE 13 1HD1 ILE 13 3.067 3.184 -14.184 102 HD12 ILE 13 2HD1 ILE 13 4.484 3.213 -15.235 103 HD13 ILE 13 3HD1 ILE 13 3.053 2.298 -15.709 104 H LYS 14 H LYS 14 3.224 -2.841 -15.015 105 HA LYS 14 HA LYS 14 4.337 -3.759 -17.410 106 HB2 LYS 14 2HB LYS 14 4.505 -5.127 -15.462 107 HB3 LYS 14 3HB LYS 14 2.758 -5.174 -15.264 108 HG2 LYS 14 2HG LYS 14 2.493 -6.591 -17.147 109 HG3 LYS 14 3HG LYS 14 4.174 -6.360 -17.635 110 HD2 LYS 14 2HD LYS 14 4.318 -8.404 -16.605 111 HD3 LYS 14 3HD LYS 14 4.662 -7.337 -15.242 112 HE2 LYS 14 2HE LYS 14 3.041 -8.489 -14.204 113 HE3 LYS 14 3HE LYS 14 1.947 -7.479 -15.147 114 HZ1 LYS 14 1HZ LYS 14 2.656 -10.291 -15.510 115 HZ2 LYS 14 2HZ LYS 14 2.340 -9.381 -16.900 116 HZ3 LYS 14 3HZ LYS 14 1.162 -9.523 -15.695 117 H ARG 15 H ARG 15 0.955 -3.870 -16.299 118 HA ARG 15 HA ARG 15 0.019 -4.887 -18.820 119 HB2 ARG 15 2HB ARG 15 -1.045 -4.513 -16.177 120 HB3 ARG 15 3HB ARG 15 -2.145 -3.812 -17.356 121 HG2 ARG 15 2HG ARG 15 -2.835 -6.043 -17.028 122 HG3 ARG 15 3HG ARG 15 -2.030 -5.996 -18.598 123 HD2 ARG 15 2HD ARG 15 -0.144 -7.103 -17.803 124 HD3 ARG 15 3HD ARG 15 -0.506 -6.710 -16.122 125 HE ARG 15 HE ARG 15 -1.860 -8.560 -16.010 126 HH11 ARG 15 1HH1 ARG 15 -1.081 -7.890 -19.336 127 HH12 ARG 15 2HH1 ARG 15 -1.753 -9.373 -19.929 128 HH21 ARG 15 1HH2 ARG 15 -2.749 -10.516 -16.778 129 HH22 ARG 15 2HH2 ARG 15 -2.702 -10.866 -18.472 130 H CYS 16 H CYS 16 0.281 -1.757 -17.275 131 HA CYS 16 HA CYS 16 -1.448 -0.244 -18.821 132 HB2 CYS 16 2HB CYS 16 -0.358 0.719 -16.898 133 HB3 CYS 16 3HB CYS 16 1.228 0.500 -17.628 134 HG CYS 16 HG CYS 16 -0.325 2.275 -19.779 135 H SER 17 H SER 17 1.896 -1.192 -19.493 136 HA SER 17 HA SER 17 2.285 0.298 -21.822 137 HB2 SER 17 2HB SER 17 3.766 -1.538 -20.367 138 HB3 SER 17 3HB SER 17 3.541 -2.338 -21.922 139 HG SER 17 HG SER 17 4.423 -0.517 -22.930 140 H ASN 18 H ASN 18 0.383 -2.516 -21.253 141 HA ASN 18 HA ASN 18 0.134 -3.078 -24.114 142 HB2 ASN 18 2HB ASN 18 -0.680 -4.566 -21.628 143 HB3 ASN 18 3HB ASN 18 -1.332 -5.001 -23.205 144 HD21 ASN 18 1HD2 ASN 18 0.104 -6.807 -21.762 145 HD22 ASN 18 2HD2 ASN 18 1.628 -7.092 -22.524 146 H VAL 19 H VAL 19 -0.971 -0.656 -22.857 147 HA VAL 19 HA VAL 19 -3.837 -1.123 -23.368 148 HB VAL 19 HB VAL 19 -2.660 1.141 -21.756 149 HG11 VAL 19 1HG1 VAL 19 -5.324 0.630 -21.055 150 HG12 VAL 19 2HG1 VAL 19 -4.694 2.013 -21.951 151 HG13 VAL 19 3HG1 VAL 19 -5.271 0.588 -22.817 152 HG21 VAL 19 1HG2 VAL 19 -3.965 -1.387 -20.752 153 HG22 VAL 19 2HG2 VAL 19 -2.239 -1.032 -20.675 154 HG23 VAL 19 3HG2 VAL 19 -3.383 -0.044 -19.767 155 H ALA 20 H ALA 20 -4.944 0.276 -24.714 156 HA ALA 20 HA ALA 20 -3.270 1.786 -26.559 157 HB1 ALA 20 1HB ALA 20 -4.785 1.294 -28.127 158 HB2 ALA 20 2HB ALA 20 -5.432 0.150 -26.950 159 HB3 ALA 20 3HB ALA 20 -6.137 1.761 -27.094 160 H VAL 21 H VAL 21 -4.580 3.805 -27.488 161 HA VAL 21 HA VAL 21 -5.150 5.505 -25.155 162 HB VAL 21 HB VAL 21 -4.542 7.418 -26.571 163 HG11 VAL 21 1HG1 VAL 21 -2.128 5.942 -27.057 164 HG12 VAL 21 2HG1 VAL 21 -2.460 7.172 -25.836 165 HG13 VAL 21 3HG1 VAL 21 -2.822 5.478 -25.504 166 HG21 VAL 21 1HG2 VAL 21 -4.613 5.372 -28.648 167 HG22 VAL 21 2HG2 VAL 21 -4.766 7.125 -28.778 168 HG23 VAL 21 3HG2 VAL 21 -3.168 6.381 -28.710 169 H GLY 22 H GLY 22 -6.316 4.484 -28.299 170 HA2 GLY 22 2HA GLY 22 -8.990 4.747 -27.822 171 HA3 GLY 22 3HA GLY 22 -8.504 6.346 -28.365 172 H VAL 23 H VAL 23 -10.324 5.235 -29.887 173 HA VAL 23 HA VAL 23 -8.842 4.512 -32.308 174 HB VAL 23 HB VAL 23 -10.686 2.869 -32.877 175 HG11 VAL 23 1HG1 VAL 23 -8.583 1.955 -32.387 176 HG12 VAL 23 2HG1 VAL 23 -8.704 2.371 -30.677 177 HG13 VAL 23 3HG1 VAL 23 -9.702 1.080 -31.344 178 HG21 VAL 23 1HG2 VAL 23 -12.260 2.234 -31.380 179 HG22 VAL 23 2HG2 VAL 23 -11.192 2.459 -29.995 180 HG23 VAL 23 3HG2 VAL 23 -11.976 3.852 -30.738 181 H GLY 24 H GLY 24 -9.903 7.015 -31.630 182 HA2 GLY 24 2HA GLY 24 -11.938 7.270 -33.735 183 HA3 GLY 24 3HA GLY 24 -12.250 7.985 -32.160 184 H GLY 25 H GLY 25 -9.042 7.914 -33.536 185 HA2 GLY 25 2HA GLY 25 -9.128 10.435 -34.825 186 HA3 GLY 25 3HA GLY 25 -8.563 10.630 -33.173 187 H LYS 26 H LYS 26 -6.807 8.939 -32.569 188 HA LYS 26 HA LYS 26 -4.995 8.499 -34.836 189 HB2 LYS 26 2HB LYS 26 -4.599 10.600 -33.193 190 HB3 LYS 26 3HB LYS 26 -3.745 9.357 -32.288 191 HG2 LYS 26 2HG LYS 26 -2.725 8.895 -34.716 192 HG3 LYS 26 3HG LYS 26 -3.083 10.617 -34.874 193 HD2 LYS 26 2HD LYS 26 -1.779 9.839 -32.355 194 HD3 LYS 26 3HD LYS 26 -0.799 9.611 -33.805 195 HE2 LYS 26 2HE LYS 26 -2.108 12.136 -33.974 196 HE3 LYS 26 3HE LYS 26 -1.334 12.009 -32.395 197 HZ1 LYS 26 1HZ LYS 26 0.012 12.907 -34.374 198 HZ2 LYS 26 2HZ LYS 26 0.146 11.287 -34.839 199 HZ3 LYS 26 3HZ LYS 26 0.746 11.788 -33.339 200 H SER 27 H SER 27 -4.877 6.342 -34.893 201 HA SER 27 HA SER 27 -5.197 4.635 -32.677 202 HB2 SER 27 2HB SER 27 -4.471 4.346 -35.516 203 HB3 SER 27 3HB SER 27 -3.813 3.095 -34.461 204 HG SER 27 HG SER 27 -6.539 3.843 -34.719 205 H LYS 28 H LYS 28 -3.848 5.007 -30.985 206 HA LYS 28 HA LYS 28 -1.056 4.256 -31.367 207 HB2 LYS 28 2HB LYS 28 -1.843 6.947 -31.052 208 HB3 LYS 28 3HB LYS 28 -1.158 6.452 -29.510 209 HG2 LYS 28 2HG LYS 28 0.902 6.571 -30.315 210 HG3 LYS 28 3HG LYS 28 0.488 5.533 -31.681 211 HD2 LYS 28 2HD LYS 28 -0.703 7.833 -32.440 212 HD3 LYS 28 3HD LYS 28 0.653 8.473 -31.509 213 HE2 LYS 28 2HE LYS 28 0.970 6.395 -33.664 214 HE3 LYS 28 3HE LYS 28 1.063 8.128 -33.978 215 HZ1 LYS 28 1HZ LYS 28 2.804 6.630 -32.094 216 HZ2 LYS 28 2HZ LYS 28 2.906 8.283 -32.438 217 HZ3 LYS 28 3HZ LYS 28 3.253 7.146 -33.643 218 H LYS 29 H LYS 29 0.031 4.331 -29.039 219 HA LYS 29 HA LYS 29 -1.874 3.084 -27.167 220 HB2 LYS 29 2HB LYS 29 0.869 2.266 -28.021 221 HB3 LYS 29 3HB LYS 29 0.360 1.911 -26.375 222 HG2 LYS 29 2HG LYS 29 -1.427 0.552 -27.125 223 HG3 LYS 29 3HG LYS 29 -1.235 1.102 -28.791 224 HD2 LYS 29 2HD LYS 29 0.919 -0.002 -28.939 225 HD3 LYS 29 3HD LYS 29 0.817 -0.480 -27.242 226 HE2 LYS 29 2HE LYS 29 -1.548 -1.337 -28.588 227 HE3 LYS 29 3HE LYS 29 -0.145 -1.858 -29.521 228 HZ1 LYS 29 1HZ LYS 29 0.670 -2.551 -27.126 229 HZ2 LYS 29 2HZ LYS 29 -0.288 -3.575 -28.072 230 HZ3 LYS 29 3HZ LYS 29 -0.995 -2.651 -26.843 231 H PHE 30 H PHE 30 -1.349 3.281 -24.896 232 HA PHE 30 HA PHE 30 -0.845 5.862 -24.060 233 HB2 PHE 30 2HB PHE 30 -1.502 3.442 -22.833 234 HB3 PHE 30 3HB PHE 30 -0.006 3.941 -22.052 235 HD1 PHE 30 HD1 PHE 30 -0.170 5.276 -20.198 236 HD2 PHE 30 HD2 PHE 30 -3.264 5.416 -23.118 237 HE1 PHE 30 HE1 PHE 30 -1.431 6.844 -18.782 238 HE2 PHE 30 HE2 PHE 30 -4.529 6.985 -21.707 239 HZ PHE 30 HZ PHE 30 -3.613 7.702 -19.536 240 H GLY 31 H GLY 31 0.918 7.041 -23.530 241 HA2 GLY 31 2HA GLY 31 3.533 5.764 -24.003 242 HA3 GLY 31 3HA GLY 31 3.192 7.474 -24.223 243 H GLU 32 H GLU 32 5.377 6.782 -22.787 244 HA GLU 32 HA GLU 32 4.863 6.561 -19.991 245 HB2 GLU 32 2HB GLU 32 7.387 7.543 -21.332 246 HB3 GLU 32 3HB GLU 32 7.236 6.900 -19.703 247 HG2 GLU 32 2HG GLU 32 7.877 4.965 -20.588 248 HG3 GLU 32 3HG GLU 32 6.236 4.862 -21.226 249 H GLY 33 H GLY 33 6.082 9.257 -21.993 250 HA2 GLY 33 2HA GLY 33 6.171 11.218 -20.048 251 HA3 GLY 33 3HA GLY 33 5.853 11.528 -21.748 252 H ASN 34 H ASN 34 3.380 9.958 -21.750 253 HA ASN 34 HA ASN 34 1.604 12.046 -20.941 254 HB2 ASN 34 2HB ASN 34 1.482 9.686 -22.587 255 HB3 ASN 34 3HB ASN 34 0.101 9.724 -21.495 256 HD21 ASN 34 1HD2 ASN 34 -1.604 10.660 -22.329 257 HD22 ASN 34 2HD2 ASN 34 -1.605 11.971 -23.454 258 H PHE 35 H PHE 35 1.716 8.598 -20.020 259 HA PHE 35 HA PHE 35 -0.054 8.702 -17.907 260 HB2 PHE 35 2HB PHE 35 0.580 6.550 -18.528 261 HB3 PHE 35 3HB PHE 35 2.296 6.943 -18.516 262 HD1 PHE 35 HD1 PHE 35 3.606 6.403 -16.680 263 HD2 PHE 35 HD2 PHE 35 -0.629 6.510 -16.268 264 HE1 PHE 35 HE1 PHE 35 3.805 5.461 -14.416 265 HE2 PHE 35 HE2 PHE 35 -0.436 5.569 -14.003 266 HZ PHE 35 HZ PHE 35 1.783 5.045 -13.074 267 H ARG 36 H ARG 36 3.301 9.671 -18.023 268 HA ARG 36 HA ARG 36 3.711 9.859 -15.220 269 HB2 ARG 36 2HB ARG 36 5.181 10.505 -17.649 270 HB3 ARG 36 3HB ARG 36 5.427 11.704 -16.387 271 HG2 ARG 36 2HG ARG 36 6.346 10.135 -14.917 272 HG3 ARG 36 3HG ARG 36 5.724 8.771 -15.849 273 HD2 ARG 36 2HD ARG 36 7.821 8.689 -16.660 274 HD3 ARG 36 3HD ARG 36 7.259 9.990 -17.709 275 HE ARG 36 HE ARG 36 8.179 11.223 -15.430 276 HH11 ARG 36 1HH1 ARG 36 9.502 9.114 -17.862 277 HH12 ARG 36 2HH1 ARG 36 11.109 9.748 -17.724 278 HH21 ARG 36 1HH2 ARG 36 10.289 12.066 -15.238 279 HH22 ARG 36 2HH2 ARG 36 11.556 11.426 -16.230 280 H TRP 37 H TRP 37 3.369 12.472 -17.628 281 HA TRP 37 HA TRP 37 3.024 14.546 -15.805 282 HB2 TRP 37 2HB TRP 37 3.486 15.153 -18.040 283 HB3 TRP 37 3HB TRP 37 2.145 14.198 -18.665 284 HD1 TRP 37 HD1 TRP 37 2.994 17.625 -17.334 285 HE1 TRP 37 HE1 TRP 37 0.918 19.140 -17.491 286 HE3 TRP 37 HE3 TRP 37 -0.505 14.091 -18.519 287 HZ2 TRP 37 HZ2 TRP 37 -1.836 18.873 -18.044 288 HZ3 TRP 37 HZ3 TRP 37 -2.837 14.804 -18.845 289 HH2 TRP 37 HH2 TRP 37 -3.487 17.145 -18.611 290 H ALA 38 H ALA 38 0.825 12.093 -16.822 291 HA ALA 38 HA ALA 38 -1.585 13.464 -16.111 292 HB1 ALA 38 1HB ALA 38 -0.857 10.909 -17.236 293 HB2 ALA 38 2HB ALA 38 -2.103 10.730 -15.999 294 HB3 ALA 38 3HB ALA 38 -2.368 11.808 -17.369 295 H ILE 39 H ILE 39 -0.100 10.568 -14.644 296 HA ILE 39 HA ILE 39 -1.554 10.711 -12.254 297 HB ILE 39 HB ILE 39 0.139 9.179 -11.318 298 HG12 ILE 39 2HG1 ILE 39 1.777 8.468 -13.383 299 HG13 ILE 39 3HG1 ILE 39 1.677 10.211 -13.609 300 HG21 ILE 39 1HG2 ILE 39 -0.504 7.362 -12.586 301 HG22 ILE 39 2HG2 ILE 39 -1.731 8.554 -13.012 302 HG23 ILE 39 3HG2 ILE 39 -0.383 8.247 -14.107 303 HD11 ILE 39 1HD1 ILE 39 3.564 9.807 -12.259 304 HD12 ILE 39 2HD1 ILE 39 2.316 10.440 -11.186 305 HD13 ILE 39 3HD1 ILE 39 2.667 8.712 -11.207 306 H ARG 40 H ARG 40 1.541 12.104 -13.184 307 HA ARG 40 HA ARG 40 2.362 12.945 -10.624 308 HB2 ARG 40 2HB ARG 40 3.016 13.935 -13.395 309 HB3 ARG 40 3HB ARG 40 3.746 14.626 -11.952 310 HG2 ARG 40 2HG ARG 40 4.736 12.504 -11.382 311 HG3 ARG 40 3HG ARG 40 3.917 11.726 -12.738 312 HD2 ARG 40 2HD ARG 40 5.854 12.117 -13.814 313 HD3 ARG 40 3HD ARG 40 5.194 13.740 -14.013 314 HE ARG 40 HE ARG 40 6.636 13.474 -11.570 315 HH11 ARG 40 1HH1 ARG 40 7.008 13.925 -15.002 316 HH12 ARG 40 2HH1 ARG 40 8.533 14.734 -14.862 317 HH21 ARG 40 1HH2 ARG 40 8.644 14.538 -11.373 318 HH22 ARG 40 2HH2 ARG 40 9.464 15.081 -12.797 319 H MET 41 H MET 41 0.842 14.819 -13.254 320 HA MET 41 HA MET 41 0.440 17.139 -11.687 321 HB2 MET 41 2HB MET 41 0.479 17.078 -14.184 322 HB3 MET 41 3HB MET 41 -1.093 16.291 -14.149 323 HG2 MET 41 2HG MET 41 -2.089 18.256 -14.062 324 HG3 MET 41 3HG MET 41 -1.253 18.627 -12.556 325 HE1 MET 41 1HE MET 41 0.523 21.630 -13.372 326 HE2 MET 41 2HE MET 41 -1.233 21.525 -13.489 327 HE3 MET 41 3HE MET 41 -0.372 20.586 -12.269 328 H ALA 42 H ALA 42 -1.361 14.203 -12.078 329 HA ALA 42 HA ALA 42 -3.899 15.079 -11.251 330 HB1 ALA 42 1HB ALA 42 -4.132 12.621 -10.515 331 HB2 ALA 42 2HB ALA 42 -3.862 12.967 -12.224 332 HB3 ALA 42 3HB ALA 42 -2.525 12.417 -11.214 333 H ASN 43 H ASN 43 -1.301 13.532 -9.358 334 HA ASN 43 HA ASN 43 -2.605 13.796 -6.868 335 HB2 ASN 43 2HB ASN 43 0.347 13.512 -7.476 336 HB3 ASN 43 3HB ASN 43 -0.389 13.294 -5.892 337 HD21 ASN 43 1HD2 ASN 43 0.869 11.647 -8.327 338 HD22 ASN 43 2HD2 ASN 43 -0.064 10.194 -8.260 339 H VAL 44 H VAL 44 -0.112 15.759 -8.461 340 HA VAL 44 HA VAL 44 0.253 17.626 -6.401 341 HB VAL 44 HB VAL 44 0.547 18.045 -9.379 342 HG11 VAL 44 1HG1 VAL 44 2.295 19.749 -8.419 343 HG12 VAL 44 2HG1 VAL 44 0.596 20.198 -8.580 344 HG13 VAL 44 3HG1 VAL 44 1.237 19.716 -7.009 345 HG21 VAL 44 1HG2 VAL 44 2.795 17.387 -9.162 346 HG22 VAL 44 2HG2 VAL 44 2.729 17.444 -7.400 347 HG23 VAL 44 3HG2 VAL 44 1.872 16.174 -8.274 348 H SER 45 H SER 45 -2.096 17.465 -9.014 349 HA SER 45 HA SER 45 -3.136 20.071 -8.749 350 HB2 SER 45 2HB SER 45 -4.172 17.511 -9.924 351 HB3 SER 45 3HB SER 45 -5.240 18.907 -9.782 352 HG SER 45 HG SER 45 -4.045 19.994 -11.211 353 H THR 46 H THR 46 -3.607 17.168 -6.923 354 HA THR 46 HA THR 46 -5.924 18.292 -5.532 355 HB THR 46 HB THR 46 -5.864 16.020 -4.332 356 HG1 THR 46 HG1 THR 46 -3.749 15.423 -4.995 357 HG21 THR 46 1HG2 THR 46 -7.619 16.178 -5.803 358 HG22 THR 46 2HG2 THR 46 -6.696 14.885 -6.568 359 HG23 THR 46 3HG2 THR 46 -6.576 16.536 -7.179 360 H GLY 47 H GLY 47 -3.103 19.264 -5.245 361 HA2 GLY 47 2HA GLY 47 -1.842 20.132 -3.531 362 HA3 GLY 47 3HA GLY 47 -3.145 19.678 -2.441 363 H ARG 48 H ARG 48 -1.233 17.542 -4.511 364 HA ARG 48 HA ARG 48 -0.098 16.328 -2.078 365 HB2 ARG 48 2HB ARG 48 -1.909 15.143 -3.863 366 HB3 ARG 48 3HB ARG 48 -0.345 14.441 -4.254 367 HG2 ARG 48 2HG ARG 48 -0.058 13.658 -2.017 368 HG3 ARG 48 3HG ARG 48 -1.492 14.533 -1.476 369 HD2 ARG 48 2HD ARG 48 -2.760 13.123 -3.203 370 HD3 ARG 48 3HD ARG 48 -1.321 12.104 -3.230 371 HE ARG 48 HE ARG 48 -2.371 12.604 -0.593 372 HH11 ARG 48 1HH1 ARG 48 -2.494 10.554 -3.405 373 HH12 ARG 48 2HH1 ARG 48 -3.118 9.188 -2.542 374 HH21 ARG 48 1HH2 ARG 48 -3.193 10.812 0.553 375 HH22 ARG 48 2HH2 ARG 48 -3.517 9.336 -0.291 376 H GLU 49 H GLU 49 1.593 14.511 -3.150 377 HA GLU 49 HA GLU 49 3.657 16.215 -4.257 378 HB2 GLU 49 2HB GLU 49 3.551 13.510 -3.019 379 HB3 GLU 49 3HB GLU 49 4.881 13.849 -4.120 380 HG2 GLU 49 2HG GLU 49 5.914 14.637 -2.312 381 HG3 GLU 49 3HG GLU 49 4.904 16.063 -2.543 382 HA PRO 50 HA PRO 50 3.455 14.955 -8.453 383 HB2 PRO 50 2HB PRO 50 6.075 14.726 -9.125 384 HB3 PRO 50 3HB PRO 50 5.288 16.283 -8.843 385 HG2 PRO 50 2HG PRO 50 7.012 14.669 -7.002 386 HG3 PRO 50 3HG PRO 50 7.022 16.418 -7.298 387 HD2 PRO 50 2HD PRO 50 5.829 15.314 -5.132 388 HD3 PRO 50 3HD PRO 50 5.222 16.791 -5.908 389 H GLY 51 H GLY 51 5.936 13.071 -6.704 390 HA2 GLY 51 2HA GLY 51 5.439 10.769 -8.411 391 HA3 GLY 51 3HA GLY 51 6.660 10.892 -7.152 392 H ASP 52 H ASP 52 3.106 11.184 -7.215 393 HA ASP 52 HA ASP 52 3.000 9.468 -4.842 394 HB2 ASP 52 2HB ASP 52 1.289 11.614 -5.952 395 HB3 ASP 52 3HB ASP 52 0.443 10.283 -5.167 396 H ILE 53 H ILE 53 3.530 7.618 -6.280 397 HA ILE 53 HA ILE 53 1.629 6.735 -8.215 398 HB ILE 53 HB ILE 53 3.779 5.157 -6.797 399 HG12 ILE 53 2HG1 ILE 53 4.626 7.108 -8.071 400 HG13 ILE 53 3HG1 ILE 53 5.141 5.575 -8.766 401 HG21 ILE 53 1HG2 ILE 53 2.320 4.538 -9.363 402 HG22 ILE 53 2HG2 ILE 53 3.563 3.553 -8.591 403 HG23 ILE 53 3HG2 ILE 53 1.999 3.773 -7.806 404 HD11 ILE 53 1HD1 ILE 53 3.976 7.674 -10.109 405 HD12 ILE 53 2HD1 ILE 53 4.154 6.022 -10.702 406 HD13 ILE 53 3HD1 ILE 53 2.656 6.520 -9.915 407 HA PRO 54 HA PRO 54 -1.361 5.002 -5.454 408 HB2 PRO 54 2HB PRO 54 -2.734 3.553 -7.293 409 HB3 PRO 54 3HB PRO 54 -2.871 5.310 -7.158 410 HG2 PRO 54 2HG PRO 54 -1.244 3.679 -9.070 411 HG3 PRO 54 3HG PRO 54 -2.223 5.125 -9.384 412 HD2 PRO 54 2HD PRO 54 0.470 5.219 -9.114 413 HD3 PRO 54 3HD PRO 54 -0.587 6.554 -8.611 414 H GLU 55 H GLU 55 -2.480 2.611 -5.469 415 HA GLU 55 HA GLU 55 -0.755 0.430 -6.039 416 HB2 GLU 55 2HB GLU 55 -0.220 -0.214 -3.719 417 HB3 GLU 55 3HB GLU 55 0.537 1.305 -4.179 418 HG2 GLU 55 2HG GLU 55 -1.687 2.279 -3.090 419 HG3 GLU 55 3HG GLU 55 -1.587 0.763 -2.195 420 H THR 56 H THR 56 -3.399 1.694 -4.082 421 HA THR 56 HA THR 56 -4.762 -0.907 -4.328 422 HB THR 56 HB THR 56 -6.018 -0.419 -2.364 423 HG1 THR 56 HG1 THR 56 -5.854 1.618 -1.329 424 HG21 THR 56 1HG2 THR 56 -3.530 0.684 -1.288 425 HG22 THR 56 2HG2 THR 56 -3.295 -0.731 -2.314 426 HG23 THR 56 3HG2 THR 56 -4.356 -0.826 -0.909 427 H LEU 57 H LEU 57 -6.872 -0.991 -5.060 428 HA LEU 57 HA LEU 57 -7.669 0.756 -7.043 429 HB2 LEU 57 2HB LEU 57 -8.533 -1.606 -6.344 430 HB3 LEU 57 3HB LEU 57 -9.717 -0.688 -5.415 431 HG LEU 57 HG LEU 57 -9.411 -0.029 -8.296 432 HD11 LEU 57 1HD1 LEU 57 -10.094 -2.679 -7.305 433 HD12 LEU 57 2HD1 LEU 57 -9.724 -2.140 -8.943 434 HD13 LEU 57 3HD1 LEU 57 -11.360 -1.966 -8.306 435 HD21 LEU 57 1HD2 LEU 57 -11.563 0.728 -8.107 436 HD22 LEU 57 2HD2 LEU 57 -10.995 0.977 -6.455 437 HD23 LEU 57 3HD2 LEU 57 -11.980 -0.434 -6.846 438 H ASP 58 H ASP 58 -8.312 0.879 -3.599 439 HA ASP 58 HA ASP 58 -10.326 2.857 -3.662 440 HB2 ASP 58 2HB ASP 58 -8.465 1.802 -1.569 441 HB3 ASP 58 3HB ASP 58 -9.381 3.270 -1.239 442 H GLN 59 H GLN 59 -6.805 3.053 -3.299 443 HA GLN 59 HA GLN 59 -6.617 5.809 -2.865 444 HB2 GLN 59 2HB GLN 59 -4.832 3.772 -2.949 445 HB3 GLN 59 3HB GLN 59 -4.468 4.573 -4.472 446 HG2 GLN 59 2HG GLN 59 -3.859 6.566 -3.412 447 HG3 GLN 59 3HG GLN 59 -4.625 6.094 -1.896 448 HE21 GLN 59 1HE2 GLN 59 -3.693 3.808 -1.178 449 HE22 GLN 59 2HE2 GLN 59 -1.968 3.767 -1.091 450 H LEU 60 H LEU 60 -6.652 3.943 -5.872 451 HA LEU 60 HA LEU 60 -6.195 6.147 -7.594 452 HB2 LEU 60 2HB LEU 60 -7.619 3.569 -8.231 453 HB3 LEU 60 3HB LEU 60 -6.871 4.675 -9.381 454 HG LEU 60 HG LEU 60 -5.010 3.660 -7.371 455 HD11 LEU 60 1HD1 LEU 60 -5.111 1.490 -9.069 456 HD12 LEU 60 2HD1 LEU 60 -6.806 1.803 -8.694 457 HD13 LEU 60 3HD1 LEU 60 -5.651 1.528 -7.390 458 HD21 LEU 60 1HD2 LEU 60 -3.648 3.277 -9.369 459 HD22 LEU 60 2HD2 LEU 60 -4.317 4.909 -9.341 460 HD23 LEU 60 3HD2 LEU 60 -5.031 3.680 -10.387 461 H ARG 61 H ARG 61 -9.179 4.394 -6.744 462 HA ARG 61 HA ARG 61 -10.957 5.964 -8.205 463 HB2 ARG 61 2HB ARG 61 -11.496 3.789 -7.102 464 HB3 ARG 61 3HB ARG 61 -11.510 4.623 -5.554 465 HG2 ARG 61 2HG ARG 61 -13.289 6.139 -6.617 466 HG3 ARG 61 3HG ARG 61 -13.424 4.873 -7.841 467 HD2 ARG 61 2HD ARG 61 -14.706 3.671 -6.487 468 HD3 ARG 61 3HD ARG 61 -13.436 3.659 -5.265 469 HE ARG 61 HE ARG 61 -14.828 6.116 -5.203 470 HH11 ARG 61 1HH1 ARG 61 -15.175 2.757 -4.359 471 HH12 ARG 61 2HH1 ARG 61 -16.293 3.061 -3.072 472 HH21 ARG 61 1HH2 ARG 61 -16.300 6.530 -3.509 473 HH22 ARG 61 2HH2 ARG 61 -16.933 5.208 -2.590 474 H LEU 62 H LEU 62 -9.286 6.632 -5.261 475 HA LEU 62 HA LEU 62 -11.040 8.695 -4.334 476 HB2 LEU 62 2HB LEU 62 -9.250 7.281 -3.057 477 HB3 LEU 62 3HB LEU 62 -8.152 8.553 -3.588 478 HG LEU 62 HG LEU 62 -8.944 8.919 -1.303 479 HD11 LEU 62 1HD1 LEU 62 -8.544 10.778 -3.090 480 HD12 LEU 62 2HD1 LEU 62 -9.242 11.187 -1.524 481 HD13 LEU 62 3HD1 LEU 62 -10.284 11.025 -2.936 482 HD21 LEU 62 1HD2 LEU 62 -11.680 9.571 -2.242 483 HD22 LEU 62 2HD2 LEU 62 -11.127 8.990 -0.671 484 HD23 LEU 62 3HD2 LEU 62 -11.277 7.868 -2.024 485 H VAL 63 H VAL 63 -7.719 8.829 -5.637 486 HA VAL 63 HA VAL 63 -7.548 11.574 -5.955 487 HB VAL 63 HB VAL 63 -5.844 11.120 -7.709 488 HG11 VAL 63 1HG1 VAL 63 -5.766 9.629 -5.104 489 HG12 VAL 63 2HG1 VAL 63 -4.383 9.657 -6.200 490 HG13 VAL 63 3HG1 VAL 63 -5.005 11.163 -5.524 491 HG21 VAL 63 1HG2 VAL 63 -5.282 8.853 -8.311 492 HG22 VAL 63 2HG2 VAL 63 -6.543 8.220 -7.254 493 HG23 VAL 63 3HG2 VAL 63 -6.979 9.148 -8.689 494 H ILE 64 H ILE 64 -9.170 9.205 -7.930 495 HA ILE 64 HA ILE 64 -9.500 10.874 -10.223 496 HB ILE 64 HB ILE 64 -11.034 8.411 -9.388 497 HG12 ILE 64 2HG1 ILE 64 -9.002 8.507 -11.585 498 HG13 ILE 64 3HG1 ILE 64 -8.456 8.384 -9.917 499 HG21 ILE 64 1HG2 ILE 64 -11.526 10.303 -11.468 500 HG22 ILE 64 2HG2 ILE 64 -11.053 8.764 -12.186 501 HG23 ILE 64 3HG2 ILE 64 -12.417 8.834 -11.070 502 HD11 ILE 64 1HD1 ILE 64 -9.587 6.369 -11.655 503 HD12 ILE 64 2HD1 ILE 64 -8.676 6.192 -10.156 504 HD13 ILE 64 3HD1 ILE 64 -10.419 6.457 -10.103 505 H CYS 65 H CYS 65 -11.676 9.876 -7.588 506 HA CYS 65 HA CYS 65 -13.930 11.297 -8.387 507 HB2 CYS 65 2HB CYS 65 -13.489 9.602 -6.395 508 HB3 CYS 65 3HB CYS 65 -13.306 11.091 -5.474 509 HG CYS 65 HG CYS 65 -15.922 9.903 -5.247 510 H ASP 66 H ASP 66 -11.239 12.315 -6.313 511 HA ASP 66 HA ASP 66 -12.257 14.875 -5.707 512 HB2 ASP 66 2HB ASP 66 -10.197 13.463 -4.754 513 HB3 ASP 66 3HB ASP 66 -9.312 14.487 -5.880 514 H LEU 67 H LEU 67 -10.077 13.732 -8.254 515 HA LEU 67 HA LEU 67 -9.452 16.222 -9.369 516 HB2 LEU 67 2HB LEU 67 -9.176 13.432 -10.088 517 HB3 LEU 67 3HB LEU 67 -9.520 14.434 -11.497 518 HG LEU 67 HG LEU 67 -7.143 14.164 -11.273 519 HD11 LEU 67 1HD1 LEU 67 -6.603 16.322 -11.685 520 HD12 LEU 67 2HD1 LEU 67 -7.420 16.920 -10.242 521 HD13 LEU 67 3HD1 LEU 67 -8.358 16.507 -11.677 522 HD21 LEU 67 1HD2 LEU 67 -6.423 13.733 -9.193 523 HD22 LEU 67 2HD2 LEU 67 -7.729 14.652 -8.443 524 HD23 LEU 67 3HD2 LEU 67 -6.298 15.487 -9.051 525 H GLN 68 H GLN 68 -12.145 14.020 -9.968 526 HA GLN 68 HA GLN 68 -13.234 15.367 -12.186 527 HB2 GLN 68 2HB GLN 68 -13.791 13.030 -11.149 528 HB3 GLN 68 3HB GLN 68 -14.967 13.934 -10.207 529 HG2 GLN 68 2HG GLN 68 -15.250 14.741 -12.897 530 HG3 GLN 68 3HG GLN 68 -15.165 12.981 -12.877 531 HE21 GLN 68 1HE2 GLN 68 -17.136 12.190 -12.961 532 HE22 GLN 68 2HE2 GLN 68 -18.497 12.746 -12.055 533 H GLU 69 H GLU 69 -13.961 15.615 -8.716 534 HA GLU 69 HA GLU 69 -16.017 17.492 -8.889 535 HB2 GLU 69 2HB GLU 69 -15.528 16.290 -6.828 536 HB3 GLU 69 3HB GLU 69 -13.970 17.096 -6.700 537 HG2 GLU 69 2HG GLU 69 -16.248 18.919 -6.892 538 HG3 GLU 69 3HG GLU 69 -16.256 17.889 -5.462 539 H ARG 70 H ARG 70 -12.527 18.008 -8.444 540 HA ARG 70 HA ARG 70 -12.693 20.839 -8.433 541 HB2 ARG 70 2HB ARG 70 -10.330 19.069 -9.086 542 HB3 ARG 70 3HB ARG 70 -10.255 20.782 -8.700 543 HG2 ARG 70 2HG ARG 70 -11.566 19.836 -6.532 544 HG3 ARG 70 3HG ARG 70 -10.541 18.456 -6.936 545 HD2 ARG 70 2HD ARG 70 -8.921 19.508 -5.820 546 HD3 ARG 70 3HD ARG 70 -8.842 20.613 -7.192 547 HE ARG 70 HE ARG 70 -10.839 21.406 -5.328 548 HH11 ARG 70 1HH1 ARG 70 -7.404 21.406 -5.893 549 HH12 ARG 70 2HH1 ARG 70 -7.113 22.812 -4.922 550 HH21 ARG 70 1HH2 ARG 70 -10.469 23.259 -4.049 551 HH22 ARG 70 2HH2 ARG 70 -8.856 23.864 -3.873 552 H ARG 71 H ARG 71 -12.403 18.443 -10.953 553 HA ARG 71 HA ARG 71 -11.486 20.071 -13.042 554 HB2 ARG 71 2HB ARG 71 -11.504 17.676 -13.289 555 HB3 ARG 71 3HB ARG 71 -13.248 17.619 -13.077 556 HG2 ARG 71 2HG ARG 71 -12.305 19.301 -15.297 557 HG3 ARG 71 3HG ARG 71 -12.006 17.569 -15.466 558 HD2 ARG 71 2HD ARG 71 -14.122 17.279 -16.070 559 HD3 ARG 71 3HD ARG 71 -14.641 17.875 -14.494 560 HE ARG 71 HE ARG 71 -14.095 20.109 -16.020 561 HH11 ARG 71 1HH1 ARG 71 -16.259 17.386 -16.170 562 HH12 ARG 71 2HH1 ARG 71 -17.498 18.251 -17.017 563 HH21 ARG 71 1HH2 ARG 71 -15.719 21.260 -17.134 564 HH22 ARG 71 2HH2 ARG 71 -17.190 20.454 -17.565 565 H GLU 72 H GLU 72 -14.795 19.289 -12.009 566 HA GLU 72 HA GLU 72 -16.061 20.854 -14.011 567 HB2 GLU 72 2HB GLU 72 -17.108 18.970 -12.687 568 HB3 GLU 72 3HB GLU 72 -17.218 20.085 -11.332 569 HG2 GLU 72 2HG GLU 72 -18.510 21.609 -12.918 570 HG3 GLU 72 3HG GLU 72 -18.642 20.197 -13.964 571 H LYS 73 H LYS 73 -15.517 21.429 -10.536 572 HA LYS 73 HA LYS 73 -16.597 23.990 -10.401 573 HB2 LYS 73 2HB LYS 73 -14.438 22.613 -8.821 574 HB3 LYS 73 3HB LYS 73 -14.916 24.267 -8.464 575 HG2 LYS 73 2HG LYS 73 -16.946 22.070 -8.591 576 HG3 LYS 73 3HG LYS 73 -15.994 22.357 -7.132 577 HD2 LYS 73 2HD LYS 73 -16.810 24.643 -7.023 578 HD3 LYS 73 3HD LYS 73 -17.705 24.416 -8.526 579 HE2 LYS 73 2HE LYS 73 -18.972 22.580 -7.386 580 HE3 LYS 73 3HE LYS 73 -18.181 23.051 -5.882 581 HZ1 LYS 73 1HZ LYS 73 -20.013 24.701 -7.532 582 HZ2 LYS 73 2HZ LYS 73 -19.131 25.304 -6.222 583 HZ3 LYS 73 3HZ LYS 73 -20.297 24.105 -5.975 584 H PHE 74 H PHE 74 -13.587 22.899 -11.720 585 HA PHE 74 HA PHE 74 -12.501 25.601 -11.850 586 HB2 PHE 74 2HB PHE 74 -10.953 23.816 -11.263 587 HB3 PHE 74 3HB PHE 74 -11.358 22.946 -12.739 588 HD1 PHE 74 HD1 PHE 74 -9.810 23.060 -14.417 589 HD2 PHE 74 HD2 PHE 74 -10.230 26.375 -11.781 590 HE1 PHE 74 HE1 PHE 74 -7.999 24.227 -15.603 591 HE2 PHE 74 HE2 PHE 74 -8.420 27.549 -12.964 592 HZ PHE 74 HZ PHE 74 -7.302 26.476 -14.878 593 H GLY 75 H GLY 75 -14.121 23.272 -13.836 594 HA2 GLY 75 2HA GLY 75 -15.309 24.146 -15.782 595 HA3 GLY 75 3HA GLY 75 -13.897 25.141 -16.112 596 H SER 76 H SER 76 -14.900 23.647 -18.127 597 HA SER 76 HA SER 76 -13.763 21.052 -18.330 598 HB2 SER 76 2HB SER 76 -15.268 22.880 -20.066 599 HB3 SER 76 3HB SER 76 -14.123 21.857 -20.932 600 HG SER 76 HG SER 76 -15.256 20.129 -20.427 601 H SER 77 H SER 77 -11.882 20.355 -19.243 602 HA SER 77 HA SER 77 -10.135 22.081 -20.713 603 HB2 SER 77 2HB SER 77 -9.142 23.016 -18.909 604 HB3 SER 77 3HB SER 77 -9.787 21.799 -17.807 605 HG SER 77 HG SER 77 -7.403 21.874 -18.223 606 H LYS 78 H LYS 78 -9.055 20.849 -22.098 607 HA LYS 78 HA LYS 78 -9.262 18.062 -22.160 608 HB2 LYS 78 2HB LYS 78 -7.847 20.133 -23.681 609 HB3 LYS 78 3HB LYS 78 -7.027 18.578 -23.673 610 HG2 LYS 78 2HG LYS 78 -9.885 18.360 -24.185 611 HG3 LYS 78 3HG LYS 78 -9.029 19.332 -25.384 612 HD2 LYS 78 2HD LYS 78 -7.511 17.538 -25.849 613 HD3 LYS 78 3HD LYS 78 -8.149 16.584 -24.507 614 HE2 LYS 78 2HE LYS 78 -9.882 17.468 -26.795 615 HE3 LYS 78 3HE LYS 78 -8.932 15.985 -26.868 616 HZ1 LYS 78 1HZ LYS 78 -11.255 15.673 -26.106 617 HZ2 LYS 78 2HZ LYS 78 -10.896 16.582 -24.727 618 HZ3 LYS 78 3HZ LYS 78 -10.100 15.115 -25.003 619 H GLU 79 H GLU 79 -7.045 20.125 -20.507 620 HA GLU 79 HA GLU 79 -4.929 18.254 -20.184 621 HB2 GLU 79 2HB GLU 79 -5.684 20.750 -18.668 622 HB3 GLU 79 3HB GLU 79 -4.256 19.797 -18.290 623 HG2 GLU 79 2HG GLU 79 -3.206 21.141 -19.718 624 HG3 GLU 79 3HG GLU 79 -3.981 20.178 -20.975 625 H ILE 80 H ILE 80 -7.253 19.486 -17.773 626 HA ILE 80 HA ILE 80 -6.704 17.603 -15.798 627 HB ILE 80 HB ILE 80 -7.986 19.595 -15.300 628 HG12 ILE 80 2HG1 ILE 80 -10.113 17.661 -14.725 629 HG13 ILE 80 3HG1 ILE 80 -8.504 17.074 -14.320 630 HG21 ILE 80 1HG2 ILE 80 -10.253 19.926 -16.058 631 HG22 ILE 80 2HG2 ILE 80 -9.195 19.710 -17.451 632 HG23 ILE 80 3HG2 ILE 80 -10.226 18.384 -16.913 633 HD11 ILE 80 1HD1 ILE 80 -8.136 18.848 -12.812 634 HD12 ILE 80 2HD1 ILE 80 -9.547 19.731 -13.396 635 HD13 ILE 80 3HD1 ILE 80 -9.758 18.239 -12.482 636 H ASP 81 H ASP 81 -8.953 17.467 -18.509 637 HA ASP 81 HA ASP 81 -10.322 15.129 -17.763 638 HB2 ASP 81 2HB ASP 81 -10.939 16.780 -19.603 639 HB3 ASP 81 3HB ASP 81 -9.751 15.956 -20.608 640 H MET 82 H MET 82 -7.398 15.613 -19.705 641 HA MET 82 HA MET 82 -7.019 12.944 -20.474 642 HB2 MET 82 2HB MET 82 -5.344 15.380 -20.335 643 HB3 MET 82 3HB MET 82 -4.479 13.850 -20.370 644 HG2 MET 82 2HG MET 82 -5.213 13.326 -22.484 645 HG3 MET 82 3HG MET 82 -6.637 14.358 -22.360 646 HE1 MET 82 1HE MET 82 -3.189 13.758 -23.026 647 HE2 MET 82 2HE MET 82 -2.896 14.873 -24.361 648 HE3 MET 82 3HE MET 82 -2.358 15.286 -22.733 649 H ALA 83 H ALA 83 -5.621 14.751 -17.742 650 HA ALA 83 HA ALA 83 -4.091 12.734 -16.628 651 HB1 ALA 83 1HB ALA 83 -4.944 14.051 -14.412 652 HB2 ALA 83 2HB ALA 83 -3.650 14.610 -15.475 653 HB3 ALA 83 3HB ALA 83 -5.288 15.236 -15.673 654 H ILE 84 H ILE 84 -7.531 13.429 -16.161 655 HA ILE 84 HA ILE 84 -8.026 11.540 -14.145 656 HB ILE 84 HB ILE 84 -9.910 12.559 -16.274 657 HG12 ILE 84 2HG1 ILE 84 -9.950 13.479 -13.436 658 HG13 ILE 84 3HG1 ILE 84 -8.688 14.107 -14.491 659 HG21 ILE 84 1HG2 ILE 84 -10.241 10.605 -14.155 660 HG22 ILE 84 2HG2 ILE 84 -11.379 11.944 -14.018 661 HG23 ILE 84 3HG2 ILE 84 -11.304 10.999 -15.506 662 HD11 ILE 84 1HD1 ILE 84 -11.498 14.782 -14.349 663 HD12 ILE 84 2HD1 ILE 84 -10.156 15.657 -15.088 664 HD13 ILE 84 3HD1 ILE 84 -10.985 14.386 -15.989 665 H VAL 85 H VAL 85 -8.544 11.282 -17.664 666 HA VAL 85 HA VAL 85 -9.450 8.682 -17.789 667 HB VAL 85 HB VAL 85 -7.627 10.060 -19.766 668 HG11 VAL 85 1HG1 VAL 85 -9.353 7.604 -20.006 669 HG12 VAL 85 2HG1 VAL 85 -8.717 8.488 -21.396 670 HG13 VAL 85 3HG1 VAL 85 -7.611 7.731 -20.248 671 HG21 VAL 85 1HG2 VAL 85 -10.607 9.806 -19.977 672 HG22 VAL 85 2HG2 VAL 85 -9.862 11.144 -19.101 673 HG23 VAL 85 3HG2 VAL 85 -9.525 10.917 -20.817 674 H THR 86 H THR 86 -6.156 9.853 -17.449 675 HA THR 86 HA THR 86 -4.830 7.410 -17.939 676 HB THR 86 HB THR 86 -3.970 9.792 -16.290 677 HG1 THR 86 HG1 THR 86 -4.322 9.855 -18.718 678 HG21 THR 86 1HG2 THR 86 -1.655 8.823 -16.719 679 HG22 THR 86 2HG2 THR 86 -2.477 7.319 -17.134 680 HG23 THR 86 3HG2 THR 86 -2.643 7.998 -15.515 681 H LEU 87 H LEU 87 -5.579 9.018 -14.841 682 HA LEU 87 HA LEU 87 -4.717 6.981 -13.158 683 HB2 LEU 87 2HB LEU 87 -5.829 9.448 -12.824 684 HB3 LEU 87 3HB LEU 87 -7.123 8.395 -12.255 685 HG LEU 87 HG LEU 87 -5.697 9.189 -10.426 686 HD11 LEU 87 1HD1 LEU 87 -5.298 7.035 -9.382 687 HD12 LEU 87 2HD1 LEU 87 -5.409 6.234 -10.949 688 HD13 LEU 87 3HD1 LEU 87 -6.829 7.020 -10.260 689 HD21 LEU 87 1HD2 LEU 87 -3.412 8.670 -10.245 690 HD22 LEU 87 2HD2 LEU 87 -3.620 9.269 -11.891 691 HD23 LEU 87 3HD2 LEU 87 -3.476 7.536 -11.593 692 H LYS 88 H LYS 88 -7.574 7.212 -15.092 693 HA LYS 88 HA LYS 88 -9.044 5.185 -13.674 694 HB2 LYS 88 2HB LYS 88 -9.515 6.258 -16.461 695 HB3 LYS 88 3HB LYS 88 -10.663 5.368 -15.469 696 HG2 LYS 88 2HG LYS 88 -9.686 7.711 -14.094 697 HG3 LYS 88 3HG LYS 88 -10.396 8.122 -15.656 698 HD2 LYS 88 2HD LYS 88 -12.230 6.368 -14.735 699 HD3 LYS 88 3HD LYS 88 -11.663 7.060 -13.213 700 HE2 LYS 88 2HE LYS 88 -12.622 9.049 -13.623 701 HE3 LYS 88 3HE LYS 88 -12.166 9.028 -15.325 702 HZ1 LYS 88 1HZ LYS 88 -14.151 7.072 -14.780 703 HZ2 LYS 88 2HZ LYS 88 -14.189 8.353 -15.883 704 HZ3 LYS 88 3HZ LYS 88 -14.675 8.602 -14.282 705 H VAL 89 H VAL 89 -7.612 5.314 -16.943 706 HA VAL 89 HA VAL 89 -7.914 2.602 -17.536 707 HB VAL 89 HB VAL 89 -7.362 4.305 -19.227 708 HG11 VAL 89 1HG1 VAL 89 -5.738 5.583 -17.915 709 HG12 VAL 89 2HG1 VAL 89 -4.599 4.238 -18.015 710 HG13 VAL 89 3HG1 VAL 89 -5.073 5.104 -19.477 711 HG21 VAL 89 1HG2 VAL 89 -5.673 2.955 -20.469 712 HG22 VAL 89 2HG2 VAL 89 -5.450 1.983 -19.015 713 HG23 VAL 89 3HG2 VAL 89 -7.016 2.009 -19.825 714 H PHE 90 H PHE 90 -5.407 4.304 -15.771 715 HA PHE 90 HA PHE 90 -3.567 2.125 -15.702 716 HB2 PHE 90 2HB PHE 90 -3.079 4.625 -15.337 717 HB3 PHE 90 3HB PHE 90 -3.655 4.366 -13.694 718 HD1 PHE 90 HD1 PHE 90 -1.281 2.836 -16.132 719 HD2 PHE 90 HD2 PHE 90 -2.099 3.871 -12.086 720 HE1 PHE 90 HE1 PHE 90 0.954 2.039 -15.481 721 HE2 PHE 90 HE2 PHE 90 0.135 3.078 -11.427 722 HZ PHE 90 HZ PHE 90 1.665 2.160 -13.125 723 H ALA 91 H ALA 91 -5.870 3.465 -13.348 724 HA ALA 91 HA ALA 91 -5.381 1.781 -11.214 725 HB1 ALA 91 1HB ALA 91 -6.880 3.731 -11.140 726 HB2 ALA 91 2HB ALA 91 -8.076 2.828 -12.070 727 HB3 ALA 91 3HB ALA 91 -7.623 2.285 -10.454 728 H VAL 92 H VAL 92 -7.429 1.226 -14.045 729 HA VAL 92 HA VAL 92 -8.286 -1.367 -13.108 730 HB VAL 92 HB VAL 92 -9.413 -1.572 -15.272 731 HG11 VAL 92 1HG1 VAL 92 -9.875 1.210 -14.229 732 HG12 VAL 92 2HG1 VAL 92 -11.048 0.094 -14.931 733 HG13 VAL 92 3HG1 VAL 92 -10.361 -0.231 -13.339 734 HG21 VAL 92 1HG2 VAL 92 -8.056 1.045 -15.911 735 HG22 VAL 92 2HG2 VAL 92 -7.778 -0.507 -16.701 736 HG23 VAL 92 3HG2 VAL 92 -9.333 0.306 -16.878 737 H ALA 93 H ALA 93 -5.876 -0.074 -15.298 738 HA ALA 93 HA ALA 93 -5.204 -2.444 -16.650 739 HB1 ALA 93 1HB ALA 93 -4.427 -0.398 -17.547 740 HB2 ALA 93 2HB ALA 93 -3.614 0.037 -16.042 741 HB3 ALA 93 3HB ALA 93 -2.993 -1.286 -17.029 742 H GLY 94 H GLY 94 -4.503 -1.347 -13.445 743 HA2 GLY 94 2HA GLY 94 -2.448 -3.423 -13.112 744 HA3 GLY 94 3HA GLY 94 -2.735 -2.083 -12.011 745 H LEU 95 H LEU 95 -5.162 -2.141 -11.182 746 HA LEU 95 HA LEU 95 -5.360 -4.378 -9.501 747 HB2 LEU 95 2HB LEU 95 -7.237 -2.164 -10.235 748 HB3 LEU 95 3HB LEU 95 -7.769 -3.482 -9.193 749 HG LEU 95 HG LEU 95 -7.133 -1.583 -7.852 750 HD11 LEU 95 1HD1 LEU 95 -6.369 -3.006 -6.337 751 HD12 LEU 95 2HD1 LEU 95 -4.788 -3.022 -7.117 752 HD13 LEU 95 3HD1 LEU 95 -6.028 -4.171 -7.618 753 HD21 LEU 95 1HD2 LEU 95 -4.412 -1.800 -9.135 754 HD22 LEU 95 2HD2 LEU 95 -4.889 -0.670 -7.867 755 HD23 LEU 95 3HD2 LEU 95 -5.602 -0.544 -9.476 756 H LEU 96 H LEU 96 -7.173 -3.520 -12.434 757 HA LEU 96 HA LEU 96 -8.565 -6.067 -12.399 758 HB2 LEU 96 2HB LEU 96 -8.928 -3.492 -13.642 759 HB3 LEU 96 3HB LEU 96 -9.049 -4.783 -14.834 760 HG LEU 96 HG LEU 96 -10.632 -4.907 -12.293 761 HD11 LEU 96 1HD1 LEU 96 -11.590 -2.961 -12.886 762 HD12 LEU 96 2HD1 LEU 96 -12.429 -3.959 -14.074 763 HD13 LEU 96 3HD1 LEU 96 -10.993 -3.049 -14.544 764 HD21 LEU 96 1HD2 LEU 96 -12.183 -5.985 -14.146 765 HD22 LEU 96 2HD2 LEU 96 -10.902 -6.905 -13.357 766 HD23 LEU 96 3HD2 LEU 96 -10.636 -6.217 -14.959 767 H ASN 97 H ASN 97 -5.545 -5.340 -13.121 768 HA ASN 97 HA ASN 97 -3.924 -6.150 -14.504 769 HB2 ASN 97 2HB ASN 97 -5.893 -8.423 -14.384 770 HB3 ASN 97 3HB ASN 97 -4.400 -8.558 -15.308 771 HD21 ASN 97 1HD2 ASN 97 -5.021 -10.204 -13.158 772 HD22 ASN 97 2HD2 ASN 97 -3.906 -9.889 -11.877 773 H MET 98 H MET 98 -5.766 -4.408 -15.751 774 HA MET 98 HA MET 98 -6.299 -3.628 -17.820 775 HB2 MET 98 2HB MET 98 -3.926 -4.440 -18.260 776 HB3 MET 98 3HB MET 98 -4.650 -5.885 -18.954 777 HG2 MET 98 2HG MET 98 -5.889 -3.589 -20.099 778 HG3 MET 98 3HG MET 98 -4.138 -3.413 -20.199 779 HE1 MET 98 1HE MET 98 -6.993 -5.840 -22.497 780 HE2 MET 98 2HE MET 98 -6.631 -6.853 -21.099 781 HE3 MET 98 3HE MET 98 -7.211 -5.203 -20.866 782 H THR 99 H THR 99 -8.410 -3.933 -18.167 783 HA THR 99 HA THR 99 -9.240 -6.477 -19.388 784 HB THR 99 HB THR 99 -9.978 -6.461 -17.033 785 HG1 THR 99 HG1 THR 99 -11.902 -7.266 -17.583 786 HG21 THR 99 1HG2 THR 99 -10.194 -4.062 -16.689 787 HG22 THR 99 2HG2 THR 99 -11.723 -4.864 -16.332 788 HG23 THR 99 3HG2 THR 99 -11.517 -3.995 -17.852 789 H VAL 100 H VAL 100 -8.599 -3.700 -20.375 790 HA VAL 100 HA VAL 100 -11.110 -3.297 -21.855 791 HB VAL 100 HB VAL 100 -10.778 -0.885 -21.842 792 HG11 VAL 100 1HG1 VAL 100 -10.758 -0.797 -19.100 793 HG12 VAL 100 2HG1 VAL 100 -12.172 -1.116 -20.107 794 HG13 VAL 100 3HG1 VAL 100 -11.248 -2.459 -19.431 795 HG21 VAL 100 1HG2 VAL 100 -8.863 -0.657 -19.718 796 HG22 VAL 100 2HG2 VAL 100 -8.160 -1.544 -21.071 797 HG23 VAL 100 3HG2 VAL 100 -8.836 0.064 -21.328 798 H SER 101 H SER 101 -10.449 -1.479 -23.666 799 HA SER 101 HA SER 101 -8.230 -2.738 -25.130 800 HB2 SER 101 2HB SER 101 -10.642 -1.216 -26.143 801 HB3 SER 101 3HB SER 101 -9.337 -1.811 -27.170 802 HG SER 101 HG SER 101 -10.638 -3.491 -27.246 803 H THR 102 H THR 102 -9.827 0.452 -25.013 804 HA THR 102 HA THR 102 -7.171 1.686 -25.320 805 HB THR 102 HB THR 102 -8.191 3.573 -26.349 806 HG1 THR 102 HG1 THR 102 -10.094 4.081 -25.566 807 HG21 THR 102 1HG2 THR 102 -9.946 1.676 -27.709 808 HG22 THR 102 2HG2 THR 102 -8.311 1.062 -27.466 809 HG23 THR 102 3HG2 THR 102 -8.564 2.581 -28.325 810 H ALA 103 H ALA 103 -7.001 3.900 -24.312 811 HA ALA 103 HA ALA 103 -7.414 3.720 -21.536 812 HB1 ALA 103 1HB ALA 103 -5.630 5.065 -22.079 813 HB2 ALA 103 2HB ALA 103 -6.498 5.879 -23.380 814 HB3 ALA 103 3HB ALA 103 -6.861 6.269 -21.698 815 H ALA 104 H ALA 104 -9.226 5.331 -24.090 816 HA ALA 104 HA ALA 104 -10.954 6.805 -22.395 817 HB1 ALA 104 1HB ALA 104 -11.125 7.696 -24.455 818 HB2 ALA 104 2HB ALA 104 -10.813 6.159 -25.263 819 HB3 ALA 104 3HB ALA 104 -12.423 6.516 -24.639 820 H ALA 105 H ALA 105 -11.242 3.640 -23.969 821 HA ALA 105 HA ALA 105 -13.882 3.079 -23.215 822 HB1 ALA 105 1HB ALA 105 -13.536 1.156 -24.293 823 HB2 ALA 105 2HB ALA 105 -11.932 1.790 -24.666 824 HB3 ALA 105 3HB ALA 105 -12.161 0.732 -23.273 825 H ALA 106 H ALA 106 -10.819 2.527 -21.543 826 HA ALA 106 HA ALA 106 -11.863 1.009 -19.402 827 HB1 ALA 106 1HB ALA 106 -9.734 0.892 -18.749 828 HB2 ALA 106 2HB ALA 106 -9.353 1.784 -20.222 829 HB3 ALA 106 3HB ALA 106 -9.564 2.648 -18.699 830 H GLU 107 H GLU 107 -11.084 4.477 -19.656 831 HA GLU 107 HA GLU 107 -11.883 5.210 -17.081 832 HB2 GLU 107 2HB GLU 107 -10.603 6.748 -18.391 833 HB3 GLU 107 3HB GLU 107 -11.817 6.770 -19.662 834 HG2 GLU 107 2HG GLU 107 -12.750 7.606 -17.002 835 HG3 GLU 107 3HG GLU 107 -11.572 8.667 -17.772 836 H ASN 108 H ASN 108 -13.729 5.031 -20.096 837 HA ASN 108 HA ASN 108 -16.119 6.146 -19.194 838 HB2 ASN 108 2HB ASN 108 -15.224 4.634 -21.486 839 HB3 ASN 108 3HB ASN 108 -16.825 4.098 -20.988 840 HD21 ASN 108 1HD2 ASN 108 -14.922 6.793 -22.108 841 HD22 ASN 108 2HD2 ASN 108 -16.251 7.780 -22.603 842 H MET 109 H MET 109 -15.067 2.750 -19.189 843 HA MET 109 HA MET 109 -17.424 1.745 -17.981 844 HB2 MET 109 2HB MET 109 -15.927 0.296 -19.242 845 HB3 MET 109 3HB MET 109 -14.632 0.591 -18.089 846 HG2 MET 109 2HG MET 109 -16.083 -0.443 -16.333 847 HG3 MET 109 3HG MET 109 -17.198 -0.899 -17.618 848 HE1 MET 109 1HE MET 109 -13.753 -1.323 -16.003 849 HE2 MET 109 2HE MET 109 -14.871 -2.525 -15.362 850 HE3 MET 109 3HE MET 109 -13.467 -3.038 -16.297 851 H TYR 110 H TYR 110 -14.401 2.999 -16.718 852 HA TYR 110 HA TYR 110 -14.581 2.105 -14.083 853 HB2 TYR 110 2HB TYR 110 -12.635 3.302 -15.219 854 HB3 TYR 110 3HB TYR 110 -13.487 4.802 -14.874 855 HD1 TYR 110 HD1 TYR 110 -11.894 1.848 -13.313 856 HD2 TYR 110 HD2 TYR 110 -13.420 5.774 -12.716 857 HE1 TYR 110 HE1 TYR 110 -10.896 1.888 -11.064 858 HE2 TYR 110 HE2 TYR 110 -12.426 5.826 -10.467 859 HH TYR 110 HH TYR 110 -11.116 3.015 -8.973 860 H SER 111 H SER 111 -15.815 5.097 -15.550 861 HA SER 111 HA SER 111 -17.099 5.903 -13.090 862 HB2 SER 111 2HB SER 111 -18.126 7.555 -15.021 863 HB3 SER 111 3HB SER 111 -16.636 7.858 -14.128 864 HG SER 111 HG SER 111 -16.725 7.786 -16.624 865 H GLN 112 H GLN 112 -17.996 4.383 -16.113 866 HA GLN 112 HA GLN 112 -20.783 4.667 -15.932 867 HB2 GLN 112 2HB GLN 112 -19.686 3.955 -17.988 868 HB3 GLN 112 3HB GLN 112 -19.146 2.471 -17.212 869 HG2 GLN 112 2HG GLN 112 -21.421 1.705 -16.999 870 HG3 GLN 112 3HG GLN 112 -22.026 3.228 -17.649 871 HE21 GLN 112 1HE2 GLN 112 -21.422 3.757 -19.860 872 HE22 GLN 112 2HE2 GLN 112 -21.214 2.477 -21.002 873 H MET 113 H MET 113 -18.566 2.574 -14.289 874 HA MET 113 HA MET 113 -20.619 0.739 -13.400 875 HB2 MET 113 2HB MET 113 -17.672 1.007 -12.838 876 HB3 MET 113 3HB MET 113 -18.683 -0.128 -11.952 877 HG2 MET 113 2HG MET 113 -19.003 -0.312 -14.840 878 HG3 MET 113 3HG MET 113 -17.361 -0.636 -14.293 879 HE1 MET 113 1HE MET 113 -17.410 -4.063 -12.984 880 HE2 MET 113 2HE MET 113 -16.980 -3.272 -14.501 881 HE3 MET 113 3HE MET 113 -16.587 -2.503 -12.962 882 H GLY 114 H GLY 114 -19.153 3.669 -12.321 883 HA2 GLY 114 2HA GLY 114 -20.359 4.958 -10.649 884 HA3 GLY 114 3HA GLY 114 -20.682 3.450 -9.805 885 H LEU 115 H LEU 115 -17.536 3.986 -11.144 886 HA LEU 115 HA LEU 115 -16.423 4.025 -8.449 887 HB2 LEU 115 2HB LEU 115 -14.868 3.943 -11.016 888 HB3 LEU 115 3HB LEU 115 -14.366 3.407 -9.414 889 HG LEU 115 HG LEU 115 -16.433 2.057 -11.151 890 HD11 LEU 115 1HD1 LEU 115 -14.328 1.679 -12.143 891 HD12 LEU 115 2HD1 LEU 115 -14.673 0.243 -11.182 892 HD13 LEU 115 3HD1 LEU 115 -13.544 1.455 -10.579 893 HD21 LEU 115 1HD2 LEU 115 -15.675 1.786 -8.337 894 HD22 LEU 115 2HD2 LEU 115 -15.658 0.271 -9.240 895 HD23 LEU 115 3HD2 LEU 115 -17.127 1.247 -9.181 896 H ASP 116 H ASP 116 -16.909 6.111 -11.162 897 HA ASP 116 HA ASP 116 -15.572 8.275 -9.693 898 HB2 ASP 116 2HB ASP 116 -14.022 7.683 -11.436 899 HB3 ASP 116 3HB ASP 116 -15.306 7.672 -12.642 900 H THR 117 H THR 117 -17.820 8.636 -9.024 901 HA THR 117 HA THR 117 -19.144 10.443 -10.894 902 HB THR 117 HB THR 117 -21.233 9.015 -9.601 903 HG1 THR 117 HG1 THR 117 -20.217 7.123 -9.464 904 HG21 THR 117 1HG2 THR 117 -20.870 10.221 -11.965 905 HG22 THR 117 2HG2 THR 117 -22.156 9.048 -11.679 906 HG23 THR 117 3HG2 THR 117 -20.662 8.545 -12.470 907 H ARG 118 H ARG 118 -21.233 11.325 -9.644 908 HA ARG 118 HA ARG 118 -20.310 12.063 -6.944 909 HB2 ARG 118 2HB ARG 118 -20.299 13.881 -8.710 910 HB3 ARG 118 3HB ARG 118 -22.052 13.750 -8.740 911 HG2 ARG 118 2HG ARG 118 -20.936 14.087 -6.061 912 HG3 ARG 118 3HG ARG 118 -20.622 15.437 -7.152 913 HD2 ARG 118 2HD ARG 118 -23.213 15.027 -7.694 914 HD3 ARG 118 3HD ARG 118 -23.174 14.447 -6.029 915 HE ARG 118 HE ARG 118 -22.851 16.605 -5.312 916 HH11 ARG 118 1HH1 ARG 118 -22.390 16.438 -8.759 917 HH12 ARG 118 2HH1 ARG 118 -22.328 18.156 -8.966 918 HH21 ARG 118 1HH2 ARG 118 -22.772 18.871 -5.572 919 HH22 ARG 118 2HH2 ARG 118 -22.545 19.539 -7.151 920 HA PRO 119 HA PRO 119 -24.375 9.847 -6.540 921 HB2 PRO 119 2HB PRO 119 -23.600 8.324 -4.430 922 HB3 PRO 119 3HB PRO 119 -23.329 7.847 -6.111 923 HG2 PRO 119 2HG PRO 119 -21.431 9.105 -4.168 924 HG3 PRO 119 3HG PRO 119 -21.146 7.781 -5.313 925 HD2 PRO 119 2HD PRO 119 -20.370 10.327 -5.809 926 HD3 PRO 119 3HD PRO 119 -20.873 9.214 -7.098 Start of MODEL 3 1 H1 GLY 2 H GLY 2 1.179 5.047 1.636 2 HA2 GLY 2 2HA GLY 2 0.759 2.796 -0.181 3 HA3 GLY 2 3HA GLY 2 -0.195 4.272 -0.116 4 H ASN 3 H ASN 3 2.730 2.787 -1.324 5 HA ASN 3 HA ASN 3 2.894 4.908 -3.345 6 HB2 ASN 3 2HB ASN 3 5.286 3.748 -1.900 7 HB3 ASN 3 3HB ASN 3 5.331 4.954 -3.183 8 HD21 ASN 3 1HD2 ASN 3 5.242 7.028 -2.645 9 HD22 ASN 3 2HD2 ASN 3 4.877 7.637 -1.069 10 H LEU 4 H LEU 4 3.887 4.267 -5.332 11 HA LEU 4 HA LEU 4 3.104 1.817 -6.322 12 HB2 LEU 4 2HB LEU 4 4.523 2.262 -8.230 13 HB3 LEU 4 3HB LEU 4 3.698 3.732 -7.717 14 HG LEU 4 HG LEU 4 6.063 3.964 -6.395 15 HD11 LEU 4 1HD1 LEU 4 6.941 3.034 -9.086 16 HD12 LEU 4 2HD1 LEU 4 6.703 1.849 -7.802 17 HD13 LEU 4 3HD1 LEU 4 7.855 3.166 -7.583 18 HD21 LEU 4 1HD2 LEU 4 4.991 5.717 -7.667 19 HD22 LEU 4 2HD2 LEU 4 5.376 4.897 -9.180 20 HD23 LEU 4 3HD2 LEU 4 6.672 5.556 -8.179 21 H LYS 5 H LYS 5 3.765 -0.180 -5.932 22 HA LYS 5 HA LYS 5 6.190 -0.704 -4.492 23 HB2 LYS 5 2HB LYS 5 3.759 -2.042 -4.919 24 HB3 LYS 5 3HB LYS 5 4.991 -3.068 -5.643 25 HG2 LYS 5 2HG LYS 5 6.182 -3.216 -3.580 26 HG3 LYS 5 3HG LYS 5 5.143 -1.999 -2.835 27 HD2 LYS 5 2HD LYS 5 3.381 -3.453 -2.599 28 HD3 LYS 5 3HD LYS 5 3.888 -4.457 -3.958 29 HE2 LYS 5 2HE LYS 5 4.638 -5.878 -2.403 30 HE3 LYS 5 3HE LYS 5 5.971 -4.743 -2.201 31 HZ1 LYS 5 1HZ LYS 5 5.185 -4.033 -0.234 32 HZ2 LYS 5 2HZ LYS 5 4.398 -5.529 -0.210 33 HZ3 LYS 5 3HZ LYS 5 3.562 -4.142 -0.698 34 H SER 6 H SER 6 7.359 -2.867 -5.416 35 HA SER 6 HA SER 6 8.793 -1.938 -7.709 36 HB2 SER 6 2HB SER 6 9.757 -4.421 -7.408 37 HB3 SER 6 3HB SER 6 10.245 -3.088 -6.363 38 HG SER 6 HG SER 6 9.423 -5.215 -5.426 39 H ARG 7 H ARG 7 7.184 -5.076 -7.169 40 HA ARG 7 HA ARG 7 7.018 -5.644 -9.950 41 HB2 ARG 7 2HB ARG 7 5.645 -6.901 -7.570 42 HB3 ARG 7 3HB ARG 7 5.551 -7.534 -9.208 43 HG2 ARG 7 2HG ARG 7 8.164 -7.129 -7.787 44 HG3 ARG 7 3HG ARG 7 7.229 -8.620 -7.662 45 HD2 ARG 7 2HD ARG 7 7.432 -9.047 -9.984 46 HD3 ARG 7 3HD ARG 7 8.053 -7.427 -10.296 47 HE ARG 7 HE ARG 7 9.543 -9.709 -9.391 48 HH11 ARG 7 1HH1 ARG 7 9.411 -6.232 -9.476 49 HH12 ARG 7 2HH1 ARG 7 11.121 -6.031 -9.280 50 HH21 ARG 7 1HH2 ARG 7 11.796 -9.459 -9.133 51 HH22 ARG 7 2HH2 ARG 7 12.476 -7.868 -9.086 52 H ASP 8 H ASP 8 5.021 -3.917 -7.739 53 HA ASP 8 HA ASP 8 2.578 -4.154 -9.212 54 HB2 ASP 8 2HB ASP 8 3.191 -3.335 -6.685 55 HB3 ASP 8 3HB ASP 8 2.912 -1.791 -7.484 56 H TRP 9 H TRP 9 5.136 -1.718 -8.982 57 HA TRP 9 HA TRP 9 3.897 0.169 -10.695 58 HB2 TRP 9 2HB TRP 9 5.625 0.916 -9.205 59 HB3 TRP 9 3HB TRP 9 6.780 -0.227 -9.884 60 HD1 TRP 9 HD1 TRP 9 8.431 0.841 -11.509 61 HE1 TRP 9 HE1 TRP 9 8.444 2.907 -13.045 62 HE3 TRP 9 HE3 TRP 9 3.670 2.509 -10.670 63 HZ2 TRP 9 HZ2 TRP 9 6.672 4.970 -13.800 64 HZ3 TRP 9 HZ3 TRP 9 2.909 4.536 -11.838 65 HH2 TRP 9 HH2 TRP 9 4.379 5.740 -13.370 66 H LYS 10 H LYS 10 6.310 -2.370 -11.247 67 HA LYS 10 HA LYS 10 6.722 -1.804 -13.987 68 HB2 LYS 10 2HB LYS 10 8.153 -3.232 -12.389 69 HB3 LYS 10 3HB LYS 10 7.029 -4.535 -12.761 70 HG2 LYS 10 2HG LYS 10 7.594 -4.391 -15.112 71 HG3 LYS 10 3HG LYS 10 8.662 -3.023 -14.791 72 HD2 LYS 10 2HD LYS 10 10.297 -4.332 -13.913 73 HD3 LYS 10 3HD LYS 10 9.152 -5.487 -13.225 74 HE2 LYS 10 2HE LYS 10 8.890 -6.609 -15.263 75 HE3 LYS 10 3HE LYS 10 9.576 -5.274 -16.189 76 HZ1 LYS 10 1HZ LYS 10 11.582 -6.155 -15.987 77 HZ2 LYS 10 2HZ LYS 10 10.897 -7.511 -15.245 78 HZ3 LYS 10 3HZ LYS 10 11.455 -6.224 -14.301 79 H MET 11 H MET 11 4.571 -4.059 -12.301 80 HA MET 11 HA MET 11 3.505 -5.229 -14.659 81 HB2 MET 11 2HB MET 11 2.605 -5.148 -11.790 82 HB3 MET 11 3HB MET 11 1.624 -5.909 -13.035 83 HG2 MET 11 2HG MET 11 4.411 -6.766 -13.059 84 HG3 MET 11 3HG MET 11 3.565 -7.135 -11.557 85 HE1 MET 11 1HE MET 11 3.537 -10.152 -12.145 86 HE2 MET 11 2HE MET 11 3.877 -10.320 -13.867 87 HE3 MET 11 3HE MET 11 4.814 -9.189 -12.888 88 H ALA 12 H ALA 12 2.286 -2.719 -12.452 89 HA ALA 12 HA ALA 12 -0.139 -2.211 -13.719 90 HB1 ALA 12 1HB ALA 12 0.061 0.076 -12.686 91 HB2 ALA 12 2HB ALA 12 0.243 -1.280 -11.571 92 HB3 ALA 12 3HB ALA 12 1.667 -0.401 -12.131 93 H ILE 13 H ILE 13 3.010 -0.626 -14.220 94 HA ILE 13 HA ILE 13 2.085 1.055 -16.319 95 HB ILE 13 HB ILE 13 4.895 0.219 -15.590 96 HG12 ILE 13 2HG1 ILE 13 3.677 1.482 -13.842 97 HG13 ILE 13 3HG1 ILE 13 5.030 2.394 -14.501 98 HG21 ILE 13 1HG2 ILE 13 3.827 2.065 -17.671 99 HG22 ILE 13 2HG2 ILE 13 5.342 2.466 -16.863 100 HG23 ILE 13 3HG2 ILE 13 5.189 0.948 -17.747 101 HD11 ILE 13 1HD1 ILE 13 3.698 4.051 -15.112 102 HD12 ILE 13 2HD1 ILE 13 2.607 2.947 -15.953 103 HD13 ILE 13 3HD1 ILE 13 2.404 3.244 -14.226 104 H LYS 14 H LYS 14 3.195 -2.213 -16.173 105 HA LYS 14 HA LYS 14 3.986 -2.483 -18.891 106 HB2 LYS 14 2HB LYS 14 4.805 -4.086 -17.321 107 HB3 LYS 14 3HB LYS 14 3.179 -4.489 -16.788 108 HG2 LYS 14 2HG LYS 14 2.975 -6.048 -18.350 109 HG3 LYS 14 3HG LYS 14 3.470 -4.929 -19.621 110 HD2 LYS 14 2HD LYS 14 5.819 -5.345 -19.068 111 HD3 LYS 14 3HD LYS 14 5.321 -6.463 -17.795 112 HE2 LYS 14 2HE LYS 14 4.678 -6.783 -20.724 113 HE3 LYS 14 3HE LYS 14 6.003 -7.595 -19.891 114 HZ1 LYS 14 1HZ LYS 14 3.406 -8.476 -20.119 115 HZ2 LYS 14 2HZ LYS 14 3.551 -7.973 -18.510 116 HZ3 LYS 14 3HZ LYS 14 4.616 -9.131 -19.133 117 H ARG 15 H ARG 15 1.057 -3.575 -17.170 118 HA ARG 15 HA ARG 15 -0.329 -4.450 -19.440 119 HB2 ARG 15 2HB ARG 15 -1.470 -3.365 -16.858 120 HB3 ARG 15 3HB ARG 15 -2.341 -4.331 -18.042 121 HG2 ARG 15 2HG ARG 15 0.152 -5.484 -16.948 122 HG3 ARG 15 3HG ARG 15 -1.232 -5.370 -15.859 123 HD2 ARG 15 2HD ARG 15 -2.192 -7.126 -16.826 124 HD3 ARG 15 3HD ARG 15 -2.090 -6.352 -18.408 125 HE ARG 15 HE ARG 15 0.418 -7.436 -17.669 126 HH11 ARG 15 1HH1 ARG 15 -2.750 -8.359 -18.782 127 HH12 ARG 15 2HH1 ARG 15 -2.197 -9.804 -19.560 128 HH21 ARG 15 1HH2 ARG 15 1.157 -9.336 -18.691 129 HH22 ARG 15 2HH2 ARG 15 0.025 -10.361 -19.507 130 H CYS 16 H CYS 16 -0.418 -1.323 -17.757 131 HA CYS 16 HA CYS 16 -2.352 -0.125 -19.416 132 HB2 CYS 16 2HB CYS 16 -0.826 0.624 -17.172 133 HB3 CYS 16 3HB CYS 16 -0.462 1.811 -18.419 134 HG CYS 16 HG CYS 16 -3.711 1.055 -17.791 135 H SER 17 H SER 17 1.105 -0.518 -19.724 136 HA SER 17 HA SER 17 1.614 1.405 -21.696 137 HB2 SER 17 2HB SER 17 3.630 0.616 -21.034 138 HB3 SER 17 3HB SER 17 2.978 -0.971 -20.625 139 HG SER 17 HG SER 17 3.871 -1.614 -22.405 140 H ASN 18 H ASN 18 -0.076 -1.569 -21.849 141 HA ASN 18 HA ASN 18 0.134 -1.676 -24.771 142 HB2 ASN 18 2HB ASN 18 -0.943 -3.651 -22.753 143 HB3 ASN 18 3HB ASN 18 -1.072 -3.875 -24.494 144 HD21 ASN 18 1HD2 ASN 18 0.635 -4.630 -25.607 145 HD22 ASN 18 2HD2 ASN 18 2.163 -5.024 -24.903 146 H VAL 19 H VAL 19 -1.376 0.397 -23.381 147 HA VAL 19 HA VAL 19 -4.036 -0.189 -24.504 148 HB VAL 19 HB VAL 19 -3.541 1.478 -22.034 149 HG11 VAL 19 1HG1 VAL 19 -6.056 1.175 -21.827 150 HG12 VAL 19 2HG1 VAL 19 -5.492 2.259 -23.100 151 HG13 VAL 19 3HG1 VAL 19 -6.022 0.627 -23.504 152 HG21 VAL 19 1HG2 VAL 19 -3.177 -0.607 -21.172 153 HG22 VAL 19 2HG2 VAL 19 -4.936 -0.547 -21.062 154 HG23 VAL 19 3HG2 VAL 19 -4.164 -1.408 -22.394 155 H ALA 20 H ALA 20 -4.869 1.325 -25.827 156 HA ALA 20 HA ALA 20 -3.231 3.370 -26.860 157 HB1 ALA 20 1HB ALA 20 -4.918 3.782 -28.366 158 HB2 ALA 20 2HB ALA 20 -5.287 2.124 -27.888 159 HB3 ALA 20 3HB ALA 20 -6.195 3.466 -27.190 160 H VAL 21 H VAL 21 -3.780 5.691 -26.933 161 HA VAL 21 HA VAL 21 -4.145 6.707 -24.272 162 HB VAL 21 HB VAL 21 -3.723 8.899 -25.224 163 HG11 VAL 21 1HG1 VAL 21 -1.976 6.671 -25.410 164 HG12 VAL 21 2HG1 VAL 21 -1.672 7.720 -26.796 165 HG13 VAL 21 3HG1 VAL 21 -1.569 8.369 -25.159 166 HG21 VAL 21 1HG2 VAL 21 -4.706 9.192 -27.238 167 HG22 VAL 21 2HG2 VAL 21 -3.124 8.693 -27.837 168 HG23 VAL 21 3HG2 VAL 21 -4.438 7.521 -27.736 169 H GLY 22 H GLY 22 -6.109 6.365 -27.126 170 HA2 GLY 22 2HA GLY 22 -8.421 6.512 -27.278 171 HA3 GLY 22 3HA GLY 22 -8.462 7.116 -25.628 172 H VAL 23 H VAL 23 -10.171 8.394 -27.007 173 HA VAL 23 HA VAL 23 -10.859 10.458 -27.681 174 HB VAL 23 HB VAL 23 -8.088 11.487 -27.101 175 HG11 VAL 23 1HG1 VAL 23 -9.912 13.341 -26.254 176 HG12 VAL 23 2HG1 VAL 23 -9.091 13.358 -27.816 177 HG13 VAL 23 3HG1 VAL 23 -10.704 12.657 -27.674 178 HG21 VAL 23 1HG2 VAL 23 -10.238 10.624 -25.222 179 HG22 VAL 23 2HG2 VAL 23 -8.489 10.442 -25.089 180 HG23 VAL 23 3HG2 VAL 23 -9.236 12.015 -24.806 181 H GLY 24 H GLY 24 -10.218 8.807 -29.703 182 HA2 GLY 24 2HA GLY 24 -10.101 9.185 -32.021 183 HA3 GLY 24 3HA GLY 24 -9.235 10.682 -31.712 184 H GLY 25 H GLY 25 -8.803 8.024 -33.308 185 HA2 GLY 25 2HA GLY 25 -6.254 7.978 -33.888 186 HA3 GLY 25 3HA GLY 25 -6.154 7.329 -32.257 187 H LYS 26 H LYS 26 -5.412 5.314 -32.808 188 HA LYS 26 HA LYS 26 -7.324 3.360 -33.480 189 HB2 LYS 26 2HB LYS 26 -6.136 4.635 -35.723 190 HB3 LYS 26 3HB LYS 26 -5.468 3.011 -35.628 191 HG2 LYS 26 2HG LYS 26 -7.997 2.354 -35.303 192 HG3 LYS 26 3HG LYS 26 -8.261 3.891 -36.129 193 HD2 LYS 26 2HD LYS 26 -6.762 3.118 -37.946 194 HD3 LYS 26 3HD LYS 26 -6.635 1.555 -37.135 195 HE2 LYS 26 2HE LYS 26 -8.956 1.122 -37.442 196 HE3 LYS 26 3HE LYS 26 -9.256 2.773 -37.983 197 HZ1 LYS 26 1HZ LYS 26 -8.173 2.378 -40.001 198 HZ2 LYS 26 2HZ LYS 26 -9.112 0.993 -39.755 199 HZ3 LYS 26 3HZ LYS 26 -7.447 0.951 -39.454 200 H SER 27 H SER 27 -3.871 4.160 -33.621 201 HA SER 27 HA SER 27 -3.308 1.853 -31.929 202 HB2 SER 27 2HB SER 27 -1.331 1.280 -33.439 203 HB3 SER 27 3HB SER 27 -2.929 0.848 -34.048 204 HG SER 27 HG SER 27 -2.253 1.925 -35.736 205 H LYS 28 H LYS 28 -2.857 3.393 -30.321 206 HA LYS 28 HA LYS 28 -0.162 4.444 -30.446 207 HB2 LYS 28 2HB LYS 28 -2.563 6.159 -30.580 208 HB3 LYS 28 3HB LYS 28 -1.346 6.655 -29.412 209 HG2 LYS 28 2HG LYS 28 0.263 6.273 -31.478 210 HG3 LYS 28 3HG LYS 28 -1.225 6.590 -32.373 211 HD2 LYS 28 2HD LYS 28 -1.314 8.582 -30.549 212 HD3 LYS 28 3HD LYS 28 0.431 8.401 -30.740 213 HE2 LYS 28 2HE LYS 28 -0.514 8.316 -33.330 214 HE3 LYS 28 3HE LYS 28 -1.544 9.521 -32.560 215 HZ1 LYS 28 1HZ LYS 28 0.116 10.936 -32.889 216 HZ2 LYS 28 2HZ LYS 28 1.197 9.709 -33.322 217 HZ3 LYS 28 3HZ LYS 28 0.982 10.111 -31.694 218 H LYS 29 H LYS 29 0.137 2.852 -28.814 219 HA LYS 29 HA LYS 29 -1.336 3.007 -26.348 220 HB2 LYS 29 2HB LYS 29 1.244 1.524 -26.851 221 HB3 LYS 29 3HB LYS 29 0.056 1.207 -25.595 222 HG2 LYS 29 2HG LYS 29 -0.777 -0.339 -26.952 223 HG3 LYS 29 3HG LYS 29 -1.400 0.993 -27.930 224 HD2 LYS 29 2HD LYS 29 0.987 0.951 -28.989 225 HD3 LYS 29 3HD LYS 29 1.036 -0.690 -28.341 226 HE2 LYS 29 2HE LYS 29 -1.275 -0.937 -29.498 227 HE3 LYS 29 3HE LYS 29 -0.768 0.472 -30.428 228 HZ1 LYS 29 1HZ LYS 29 1.088 -0.700 -31.272 229 HZ2 LYS 29 2HZ LYS 29 -0.244 -1.727 -31.454 230 HZ3 LYS 29 3HZ LYS 29 0.864 -1.993 -30.203 231 H PHE 30 H PHE 30 -0.861 4.157 -24.583 232 HA PHE 30 HA PHE 30 1.305 6.040 -24.666 233 HB2 PHE 30 2HB PHE 30 0.428 6.719 -22.413 234 HB3 PHE 30 3HB PHE 30 -0.767 6.776 -23.703 235 HD1 PHE 30 HD1 PHE 30 0.394 4.833 -20.789 236 HD2 PHE 30 HD2 PHE 30 -2.722 5.460 -23.620 237 HE1 PHE 30 HE1 PHE 30 -1.094 3.390 -19.464 238 HE2 PHE 30 HE2 PHE 30 -4.217 4.019 -22.299 239 HZ PHE 30 HZ PHE 30 -3.404 2.983 -20.218 240 H GLY 31 H GLY 31 3.154 6.083 -23.447 241 HA2 GLY 31 2HA GLY 31 3.808 3.560 -22.066 242 HA3 GLY 31 3HA GLY 31 4.983 4.628 -22.820 243 H GLU 32 H GLU 32 6.001 4.290 -20.647 244 HA GLU 32 HA GLU 32 4.962 5.242 -18.262 245 HB2 GLU 32 2HB GLU 32 7.327 5.556 -17.558 246 HB3 GLU 32 3HB GLU 32 7.020 3.990 -18.296 247 HG2 GLU 32 2HG GLU 32 7.971 4.794 -20.399 248 HG3 GLU 32 3HG GLU 32 8.287 6.359 -19.652 249 H GLY 33 H GLY 33 6.490 6.994 -20.904 250 HA2 GLY 33 2HA GLY 33 6.841 9.464 -19.607 251 HA3 GLY 33 3HA GLY 33 6.679 9.238 -21.343 252 H ASN 34 H ASN 34 4.188 8.412 -21.745 253 HA ASN 34 HA ASN 34 2.641 10.725 -21.500 254 HB2 ASN 34 2HB ASN 34 2.268 8.009 -22.508 255 HB3 ASN 34 3HB ASN 34 0.790 8.694 -21.839 256 HD21 ASN 34 1HD2 ASN 34 -0.408 9.439 -23.425 257 HD22 ASN 34 2HD2 ASN 34 0.145 10.372 -24.770 258 H PHE 35 H PHE 35 2.414 7.661 -19.701 259 HA PHE 35 HA PHE 35 0.305 8.426 -18.018 260 HB2 PHE 35 2HB PHE 35 0.864 6.108 -18.179 261 HB3 PHE 35 3HB PHE 35 2.520 6.406 -17.660 262 HD1 PHE 35 HD1 PHE 35 -0.994 6.317 -16.550 263 HD2 PHE 35 HD2 PHE 35 3.091 6.502 -15.369 264 HE1 PHE 35 HE1 PHE 35 -1.651 5.875 -14.220 265 HE2 PHE 35 HE2 PHE 35 2.441 6.058 -13.038 266 HZ PHE 35 HZ PHE 35 0.068 5.744 -12.462 267 H ARG 36 H ARG 36 3.769 8.924 -17.797 268 HA ARG 36 HA ARG 36 3.942 9.703 -15.114 269 HB2 ARG 36 2HB ARG 36 5.920 9.223 -16.452 270 HB3 ARG 36 3HB ARG 36 5.582 10.604 -17.487 271 HG2 ARG 36 2HG ARG 36 5.927 12.106 -15.582 272 HG3 ARG 36 3HG ARG 36 6.291 10.713 -14.563 273 HD2 ARG 36 2HD ARG 36 8.421 10.985 -15.159 274 HD3 ARG 36 3HD ARG 36 7.952 10.391 -16.751 275 HE ARG 36 HE ARG 36 8.244 12.501 -17.569 276 HH11 ARG 36 1HH1 ARG 36 7.912 12.678 -14.109 277 HH12 ARG 36 2HH1 ARG 36 8.271 14.371 -14.029 278 HH21 ARG 36 1HH2 ARG 36 8.718 14.731 -17.478 279 HH22 ARG 36 2HH2 ARG 36 8.728 15.538 -15.947 280 H TRP 37 H TRP 37 3.340 11.623 -18.038 281 HA TRP 37 HA TRP 37 3.229 14.126 -16.731 282 HB2 TRP 37 2HB TRP 37 3.572 14.158 -19.075 283 HB3 TRP 37 3HB TRP 37 2.168 13.138 -19.374 284 HD1 TRP 37 HD1 TRP 37 3.185 16.750 -18.884 285 HE1 TRP 37 HE1 TRP 37 1.147 18.269 -19.292 286 HE3 TRP 37 HE3 TRP 37 -0.456 13.171 -19.129 287 HZ2 TRP 37 HZ2 TRP 37 -1.636 17.985 -19.667 288 HZ3 TRP 37 HZ3 TRP 37 -2.782 13.878 -19.513 289 HH2 TRP 37 HH2 TRP 37 -3.358 16.236 -19.775 290 H ALA 38 H ALA 38 0.774 11.715 -17.511 291 HA ALA 38 HA ALA 38 -1.451 13.289 -16.701 292 HB1 ALA 38 1HB ALA 38 -0.987 10.585 -17.656 293 HB2 ALA 38 2HB ALA 38 -2.244 10.661 -16.421 294 HB3 ALA 38 3HB ALA 38 -2.382 11.642 -17.880 295 H ILE 39 H ILE 39 -0.011 10.415 -15.143 296 HA ILE 39 HA ILE 39 -1.357 10.548 -12.743 297 HB ILE 39 HB ILE 39 0.146 8.689 -13.449 298 HG12 ILE 39 2HG1 ILE 39 1.148 8.365 -11.098 299 HG13 ILE 39 3HG1 ILE 39 0.412 9.917 -10.712 300 HG21 ILE 39 1HG2 ILE 39 2.458 10.156 -12.274 301 HG22 ILE 39 2HG2 ILE 39 2.438 8.817 -13.421 302 HG23 ILE 39 3HG2 ILE 39 2.023 10.445 -13.958 303 HD11 ILE 39 1HD1 ILE 39 -1.457 8.109 -11.986 304 HD12 ILE 39 2HD1 ILE 39 -0.772 7.440 -10.504 305 HD13 ILE 39 3HD1 ILE 39 -1.593 9.001 -10.470 306 H ARG 40 H ARG 40 1.385 12.426 -13.829 307 HA ARG 40 HA ARG 40 2.090 13.485 -11.283 308 HB2 ARG 40 2HB ARG 40 3.700 13.487 -13.094 309 HB3 ARG 40 3HB ARG 40 2.642 14.487 -14.080 310 HG2 ARG 40 2HG ARG 40 2.886 16.317 -12.464 311 HG3 ARG 40 3HG ARG 40 3.981 15.312 -11.513 312 HD2 ARG 40 2HD ARG 40 5.416 15.130 -13.576 313 HD3 ARG 40 3HD ARG 40 4.394 16.370 -14.301 314 HE ARG 40 HE ARG 40 5.201 17.443 -11.921 315 HH11 ARG 40 1HH1 ARG 40 6.815 16.129 -14.711 316 HH12 ARG 40 2HH1 ARG 40 8.213 17.138 -14.540 317 HH21 ARG 40 1HH2 ARG 40 7.035 18.777 -11.685 318 HH22 ARG 40 2HH2 ARG 40 8.337 18.644 -12.818 319 H MET 41 H MET 41 0.556 15.092 -14.080 320 HA MET 41 HA MET 41 -0.193 17.429 -12.825 321 HB2 MET 41 2HB MET 41 -0.428 16.600 -15.318 322 HB3 MET 41 3HB MET 41 -2.063 16.203 -14.807 323 HG2 MET 41 2HG MET 41 -2.663 18.300 -15.133 324 HG3 MET 41 3HG MET 41 -1.520 18.815 -13.895 325 HE1 MET 41 1HE MET 41 -0.260 20.525 -14.213 326 HE2 MET 41 2HE MET 41 0.639 21.064 -15.631 327 HE3 MET 41 3HE MET 41 -1.094 21.373 -15.516 328 H ALA 42 H ALA 42 -1.679 14.277 -12.668 329 HA ALA 42 HA ALA 42 -4.163 15.094 -11.561 330 HB1 ALA 42 1HB ALA 42 -4.120 12.618 -10.733 331 HB2 ALA 42 2HB ALA 42 -4.264 12.975 -12.454 332 HB3 ALA 42 3HB ALA 42 -2.705 12.498 -11.780 333 H ASN 43 H ASN 43 -1.219 13.744 -10.070 334 HA ASN 43 HA ASN 43 -2.093 13.834 -7.420 335 HB2 ASN 43 2HB ASN 43 0.509 13.613 -8.798 336 HB3 ASN 43 3HB ASN 43 0.583 14.231 -7.151 337 HD21 ASN 43 1HD2 ASN 43 1.844 12.100 -7.142 338 HD22 ASN 43 2HD2 ASN 43 0.947 10.704 -6.661 339 H VAL 44 H VAL 44 -0.205 16.225 -9.258 340 HA VAL 44 HA VAL 44 0.093 18.121 -7.239 341 HB VAL 44 HB VAL 44 -0.222 18.678 -10.191 342 HG11 VAL 44 1HG1 VAL 44 -0.120 20.802 -9.501 343 HG12 VAL 44 2HG1 VAL 44 0.386 20.343 -7.875 344 HG13 VAL 44 3HG1 VAL 44 1.580 20.473 -9.166 345 HG21 VAL 44 1HG2 VAL 44 1.539 17.210 -10.200 346 HG22 VAL 44 2HG2 VAL 44 2.393 18.726 -9.909 347 HG23 VAL 44 3HG2 VAL 44 2.047 17.637 -8.567 348 H SER 45 H SER 45 -2.529 17.665 -9.570 349 HA SER 45 HA SER 45 -3.981 19.989 -8.909 350 HB2 SER 45 2HB SER 45 -4.914 17.359 -10.079 351 HB3 SER 45 3HB SER 45 -5.903 18.815 -9.989 352 HG SER 45 HG SER 45 -4.470 18.246 -11.968 353 H THR 46 H THR 46 -3.733 16.867 -7.416 354 HA THR 46 HA THR 46 -5.891 17.578 -5.541 355 HB THR 46 HB THR 46 -5.745 15.098 -4.907 356 HG1 THR 46 HG1 THR 46 -4.764 13.755 -6.387 357 HG21 THR 46 1HG2 THR 46 -7.328 16.420 -6.657 358 HG22 THR 46 2HG2 THR 46 -7.516 14.712 -6.261 359 HG23 THR 46 3HG2 THR 46 -6.639 15.189 -7.715 360 H GLY 47 H GLY 47 -3.021 18.448 -5.522 361 HA2 GLY 47 2HA GLY 47 -1.308 18.712 -4.012 362 HA3 GLY 47 3HA GLY 47 -2.557 18.474 -2.798 363 H ARG 48 H ARG 48 -0.390 16.683 -4.969 364 HA ARG 48 HA ARG 48 0.089 14.774 -2.807 365 HB2 ARG 48 2HB ARG 48 -1.271 14.189 -5.346 366 HB3 ARG 48 3HB ARG 48 0.060 13.102 -4.974 367 HG2 ARG 48 2HG ARG 48 -1.655 11.994 -3.968 368 HG3 ARG 48 3HG ARG 48 -1.117 13.003 -2.624 369 HD2 ARG 48 2HD ARG 48 -3.028 14.172 -2.594 370 HD3 ARG 48 3HD ARG 48 -3.073 14.310 -4.350 371 HE ARG 48 HE ARG 48 -3.776 11.744 -3.953 372 HH11 ARG 48 1HH1 ARG 48 -4.897 14.732 -2.562 373 HH12 ARG 48 2HH1 ARG 48 -6.510 14.156 -2.297 374 HH21 ARG 48 1HH2 ARG 48 -5.894 10.973 -3.609 375 HH22 ARG 48 2HH2 ARG 48 -7.076 12.016 -2.892 376 H GLU 49 H GLU 49 2.158 14.063 -2.700 377 HA GLU 49 HA GLU 49 4.216 15.440 -3.920 378 HB2 GLU 49 2HB GLU 49 4.016 12.861 -2.455 379 HB3 GLU 49 3HB GLU 49 5.494 13.159 -3.358 380 HG2 GLU 49 2HG GLU 49 5.806 13.867 -1.096 381 HG3 GLU 49 3HG GLU 49 5.767 15.289 -2.137 382 HA PRO 50 HA PRO 50 4.807 13.822 -7.954 383 HB2 PRO 50 2HB PRO 50 7.513 13.708 -8.148 384 HB3 PRO 50 3HB PRO 50 6.613 15.229 -8.150 385 HG2 PRO 50 2HG PRO 50 8.067 13.890 -5.901 386 HG3 PRO 50 3HG PRO 50 8.042 15.605 -6.355 387 HD2 PRO 50 2HD PRO 50 6.546 14.613 -4.327 388 HD3 PRO 50 3HD PRO 50 6.010 15.977 -5.331 389 H GLY 51 H GLY 51 7.037 12.257 -5.640 390 HA2 GLY 51 2HA GLY 51 6.958 9.792 -7.182 391 HA3 GLY 51 3HA GLY 51 7.935 10.100 -5.754 392 H ASP 52 H ASP 52 4.432 10.198 -6.402 393 HA ASP 52 HA ASP 52 4.051 8.090 -4.406 394 HB2 ASP 52 2HB ASP 52 3.813 10.386 -3.344 395 HB3 ASP 52 3HB ASP 52 2.395 10.612 -4.363 396 H ILE 53 H ILE 53 3.586 6.802 -6.270 397 HA ILE 53 HA ILE 53 0.990 7.409 -7.525 398 HB ILE 53 HB ILE 53 3.207 5.660 -8.595 399 HG12 ILE 53 2HG1 ILE 53 2.266 8.409 -9.441 400 HG13 ILE 53 3HG1 ILE 53 3.802 8.031 -8.669 401 HG21 ILE 53 1HG2 ILE 53 1.731 4.826 -10.025 402 HG22 ILE 53 2HG2 ILE 53 0.452 5.695 -9.179 403 HG23 ILE 53 3HG2 ILE 53 1.274 6.449 -10.544 404 HD11 ILE 53 1HD1 ILE 53 4.246 6.541 -10.688 405 HD12 ILE 53 2HD1 ILE 53 2.892 7.380 -11.445 406 HD13 ILE 53 3HD1 ILE 53 4.312 8.287 -10.926 407 HA PRO 54 HA PRO 54 0.338 3.702 -4.812 408 HB2 PRO 54 2HB PRO 54 -2.064 4.537 -3.861 409 HB3 PRO 54 3HB PRO 54 -0.526 5.006 -3.128 410 HG2 PRO 54 2HG PRO 54 -2.264 6.536 -5.025 411 HG3 PRO 54 3HG PRO 54 -1.418 7.106 -3.575 412 HD2 PRO 54 2HD PRO 54 -0.463 7.518 -6.075 413 HD3 PRO 54 3HD PRO 54 0.600 7.292 -4.672 414 H GLU 55 H GLU 55 -1.434 2.131 -4.898 415 HA GLU 55 HA GLU 55 -3.162 2.391 -7.256 416 HB2 GLU 55 2HB GLU 55 -1.697 -0.165 -6.629 417 HB3 GLU 55 3HB GLU 55 -2.601 0.236 -8.082 418 HG2 GLU 55 2HG GLU 55 -0.588 0.655 -8.951 419 HG3 GLU 55 3HG GLU 55 -0.724 2.187 -8.090 420 H THR 56 H THR 56 -4.848 2.785 -5.743 421 HA THR 56 HA THR 56 -5.985 0.323 -4.674 422 HB THR 56 HB THR 56 -6.439 1.204 -2.489 423 HG1 THR 56 HG1 THR 56 -4.942 3.535 -2.930 424 HG21 THR 56 1HG2 THR 56 -4.211 0.187 -2.846 425 HG22 THR 56 2HG2 THR 56 -4.206 1.401 -1.567 426 HG23 THR 56 3HG2 THR 56 -3.554 1.793 -3.158 427 H LEU 57 H LEU 57 -8.147 0.232 -4.907 428 HA LEU 57 HA LEU 57 -9.533 1.958 -6.551 429 HB2 LEU 57 2HB LEU 57 -10.841 0.377 -4.354 430 HB3 LEU 57 3HB LEU 57 -11.514 0.823 -5.921 431 HG LEU 57 HG LEU 57 -9.383 -1.236 -5.367 432 HD11 LEU 57 1HD1 LEU 57 -11.703 -2.005 -6.926 433 HD12 LEU 57 2HD1 LEU 57 -12.139 -1.424 -5.320 434 HD13 LEU 57 3HD1 LEU 57 -11.000 -2.759 -5.495 435 HD21 LEU 57 1HD2 LEU 57 -10.024 0.260 -7.799 436 HD22 LEU 57 2HD2 LEU 57 -10.043 -1.493 -8.002 437 HD23 LEU 57 3HD2 LEU 57 -8.595 -0.691 -7.391 438 H ASP 58 H ASP 58 -9.045 2.124 -3.094 439 HA ASP 58 HA ASP 58 -11.027 4.108 -2.585 440 HB2 ASP 58 2HB ASP 58 -8.562 3.399 -0.977 441 HB3 ASP 58 3HB ASP 58 -9.930 4.350 -0.403 442 H GLN 59 H GLN 59 -7.598 4.186 -3.377 443 HA GLN 59 HA GLN 59 -7.233 6.961 -2.911 444 HB2 GLN 59 2HB GLN 59 -5.294 5.576 -2.938 445 HB3 GLN 59 3HB GLN 59 -5.688 4.940 -4.529 446 HG2 GLN 59 2HG GLN 59 -5.379 7.839 -4.479 447 HG3 GLN 59 3HG GLN 59 -3.925 6.961 -4.007 448 HE21 GLN 59 1HE2 GLN 59 -3.890 4.796 -5.536 449 HE22 GLN 59 2HE2 GLN 59 -3.843 5.204 -7.213 450 H LEU 60 H LEU 60 -7.565 5.120 -5.948 451 HA LEU 60 HA LEU 60 -7.641 7.296 -7.679 452 HB2 LEU 60 2HB LEU 60 -8.059 4.494 -7.828 453 HB3 LEU 60 3HB LEU 60 -9.400 5.284 -8.655 454 HG LEU 60 HG LEU 60 -7.754 4.785 -10.291 455 HD11 LEU 60 1HD1 LEU 60 -7.577 6.830 -11.299 456 HD12 LEU 60 2HD1 LEU 60 -7.122 7.653 -9.807 457 HD13 LEU 60 3HD1 LEU 60 -8.801 7.186 -10.080 458 HD21 LEU 60 1HD2 LEU 60 -5.450 6.101 -9.829 459 HD22 LEU 60 2HD2 LEU 60 -5.711 4.406 -9.417 460 HD23 LEU 60 3HD2 LEU 60 -5.889 5.652 -8.180 461 H ARG 61 H ARG 61 -10.285 5.659 -5.982 462 HA ARG 61 HA ARG 61 -12.427 7.021 -7.131 463 HB2 ARG 61 2HB ARG 61 -12.824 5.089 -5.758 464 HB3 ARG 61 3HB ARG 61 -12.091 5.867 -4.362 465 HG2 ARG 61 2HG ARG 61 -14.037 6.729 -3.759 466 HG3 ARG 61 3HG ARG 61 -14.244 7.479 -5.343 467 HD2 ARG 61 2HD ARG 61 -15.076 5.288 -6.192 468 HD3 ARG 61 3HD ARG 61 -15.010 4.677 -4.540 469 HE ARG 61 HE ARG 61 -16.915 5.864 -4.053 470 HH11 ARG 61 1HH1 ARG 61 -15.632 6.922 -7.112 471 HH12 ARG 61 2HH1 ARG 61 -17.021 7.876 -7.512 472 HH21 ARG 61 1HH2 ARG 61 -18.749 7.118 -4.568 473 HH22 ARG 61 2HH2 ARG 61 -18.793 7.988 -6.064 474 H LEU 62 H LEU 62 -10.571 7.814 -4.201 475 HA LEU 62 HA LEU 62 -11.986 10.172 -3.583 476 HB2 LEU 62 2HB LEU 62 -10.621 9.050 -1.938 477 HB3 LEU 62 3HB LEU 62 -9.174 9.328 -2.904 478 HG LEU 62 HG LEU 62 -9.547 11.797 -2.540 479 HD11 LEU 62 1HD1 LEU 62 -11.859 11.813 -1.925 480 HD12 LEU 62 2HD1 LEU 62 -10.917 12.371 -0.544 481 HD13 LEU 62 3HD1 LEU 62 -11.558 10.728 -0.567 482 HD21 LEU 62 1HD2 LEU 62 -9.139 10.243 0.004 483 HD22 LEU 62 2HD2 LEU 62 -8.439 11.798 -0.447 484 HD23 LEU 62 3HD2 LEU 62 -7.932 10.327 -1.278 485 H VAL 63 H VAL 63 -9.235 9.522 -5.659 486 HA VAL 63 HA VAL 63 -8.496 12.238 -6.076 487 HB VAL 63 HB VAL 63 -7.960 9.817 -7.803 488 HG11 VAL 63 1HG1 VAL 63 -6.080 11.196 -8.681 489 HG12 VAL 63 2HG1 VAL 63 -7.679 11.805 -9.115 490 HG13 VAL 63 3HG1 VAL 63 -6.758 12.582 -7.827 491 HG21 VAL 63 1HG2 VAL 63 -7.018 10.441 -5.248 492 HG22 VAL 63 2HG2 VAL 63 -6.374 9.230 -6.356 493 HG23 VAL 63 3HG2 VAL 63 -5.704 10.862 -6.348 494 H ILE 64 H ILE 64 -10.057 9.921 -8.300 495 HA ILE 64 HA ILE 64 -10.769 11.760 -10.261 496 HB ILE 64 HB ILE 64 -12.286 9.258 -9.509 497 HG12 ILE 64 2HG1 ILE 64 -9.871 8.866 -9.923 498 HG13 ILE 64 3HG1 ILE 64 -10.896 8.112 -11.140 499 HG21 ILE 64 1HG2 ILE 64 -13.553 10.717 -10.983 500 HG22 ILE 64 2HG2 ILE 64 -12.184 10.814 -12.091 501 HG23 ILE 64 3HG2 ILE 64 -13.018 9.278 -11.851 502 HD11 ILE 64 1HD1 ILE 64 -8.713 9.685 -11.628 503 HD12 ILE 64 2HD1 ILE 64 -9.989 9.303 -12.785 504 HD13 ILE 64 3HD1 ILE 64 -10.057 10.803 -11.859 505 H CYS 65 H CYS 65 -12.190 11.141 -7.171 506 HA CYS 65 HA CYS 65 -14.749 12.283 -7.730 507 HB2 CYS 65 2HB CYS 65 -14.505 10.715 -5.896 508 HB3 CYS 65 3HB CYS 65 -13.322 11.758 -5.116 509 HG CYS 65 HG CYS 65 -16.519 12.819 -5.657 510 H ASP 66 H ASP 66 -12.158 13.463 -5.580 511 HA ASP 66 HA ASP 66 -13.145 16.074 -5.369 512 HB2 ASP 66 2HB ASP 66 -10.590 14.709 -4.753 513 HB3 ASP 66 3HB ASP 66 -10.508 16.459 -4.934 514 H LEU 67 H LEU 67 -10.825 14.650 -7.622 515 HA LEU 67 HA LEU 67 -9.993 17.014 -8.876 516 HB2 LEU 67 2HB LEU 67 -9.055 14.639 -9.072 517 HB3 LEU 67 3HB LEU 67 -10.296 14.388 -10.298 518 HG LEU 67 HG LEU 67 -9.312 16.207 -11.636 519 HD11 LEU 67 1HD1 LEU 67 -6.760 16.479 -10.576 520 HD12 LEU 67 2HD1 LEU 67 -7.838 16.652 -9.192 521 HD13 LEU 67 3HD1 LEU 67 -8.034 17.698 -10.598 522 HD21 LEU 67 1HD2 LEU 67 -6.964 14.506 -11.142 523 HD22 LEU 67 2HD2 LEU 67 -7.870 14.794 -12.628 524 HD23 LEU 67 3HD2 LEU 67 -8.473 13.642 -11.435 525 H GLN 68 H GLN 68 -12.594 14.748 -9.743 526 HA GLN 68 HA GLN 68 -13.474 16.080 -12.041 527 HB2 GLN 68 2HB GLN 68 -14.211 13.840 -11.614 528 HB3 GLN 68 3HB GLN 68 -14.945 14.313 -10.088 529 HG2 GLN 68 2HG GLN 68 -16.851 14.851 -11.078 530 HG3 GLN 68 3HG GLN 68 -16.025 15.844 -12.278 531 HE21 GLN 68 1HE2 GLN 68 -17.152 12.628 -11.504 532 HE22 GLN 68 2HE2 GLN 68 -17.139 12.023 -13.121 533 H GLU 69 H GLU 69 -14.693 16.287 -8.700 534 HA GLU 69 HA GLU 69 -16.663 18.212 -9.167 535 HB2 GLU 69 2HB GLU 69 -15.675 16.831 -6.956 536 HB3 GLU 69 3HB GLU 69 -15.401 18.523 -6.570 537 HG2 GLU 69 2HG GLU 69 -17.872 18.817 -7.321 538 HG3 GLU 69 3HG GLU 69 -17.969 17.080 -7.034 539 H ARG 70 H ARG 70 -13.316 18.644 -8.030 540 HA ARG 70 HA ARG 70 -13.343 21.424 -7.840 541 HB2 ARG 70 2HB ARG 70 -11.221 19.360 -8.183 542 HB3 ARG 70 3HB ARG 70 -10.782 21.040 -8.456 543 HG2 ARG 70 2HG ARG 70 -11.517 21.622 -6.218 544 HG3 ARG 70 3HG ARG 70 -12.030 19.957 -5.939 545 HD2 ARG 70 2HD ARG 70 -9.731 19.192 -6.201 546 HD3 ARG 70 3HD ARG 70 -9.208 20.844 -6.529 547 HE ARG 70 HE ARG 70 -9.718 19.678 -3.970 548 HH11 ARG 70 1HH1 ARG 70 -9.760 22.658 -5.769 549 HH12 ARG 70 2HH1 ARG 70 -9.549 23.658 -4.370 550 HH21 ARG 70 1HH2 ARG 70 -9.438 20.983 -2.120 551 HH22 ARG 70 2HH2 ARG 70 -9.364 22.703 -2.295 552 H ARG 71 H ARG 71 -12.335 19.375 -10.572 553 HA ARG 71 HA ARG 71 -11.640 21.425 -12.333 554 HB2 ARG 71 2HB ARG 71 -11.013 19.171 -12.841 555 HB3 ARG 71 3HB ARG 71 -12.690 18.643 -12.844 556 HG2 ARG 71 2HG ARG 71 -11.684 18.859 -15.101 557 HG3 ARG 71 3HG ARG 71 -13.136 19.834 -14.865 558 HD2 ARG 71 2HD ARG 71 -11.084 20.894 -16.029 559 HD3 ARG 71 3HD ARG 71 -11.946 21.821 -14.802 560 HE ARG 71 HE ARG 71 -9.728 20.293 -13.783 561 HH11 ARG 71 1HH1 ARG 71 -10.741 23.313 -15.189 562 HH12 ARG 71 2HH1 ARG 71 -9.403 24.209 -14.550 563 HH21 ARG 71 1HH2 ARG 71 -7.962 21.463 -12.935 564 HH22 ARG 71 2HH2 ARG 71 -7.822 23.155 -13.268 565 H GLU 72 H GLU 72 -14.757 19.827 -11.792 566 HA GLU 72 HA GLU 72 -16.232 20.953 -13.843 567 HB2 GLU 72 2HB GLU 72 -16.863 19.870 -11.155 568 HB3 GLU 72 3HB GLU 72 -18.100 20.866 -11.909 569 HG2 GLU 72 2HG GLU 72 -17.011 18.917 -13.751 570 HG3 GLU 72 3HG GLU 72 -17.679 18.164 -12.303 571 H LYS 73 H LYS 73 -15.751 22.229 -10.555 572 HA LYS 73 HA LYS 73 -17.185 24.638 -11.044 573 HB2 LYS 73 2HB LYS 73 -16.754 23.589 -8.785 574 HB3 LYS 73 3HB LYS 73 -15.099 24.170 -8.911 575 HG2 LYS 73 2HG LYS 73 -15.699 26.364 -8.635 576 HG3 LYS 73 3HG LYS 73 -17.334 26.107 -9.248 577 HD2 LYS 73 2HD LYS 73 -17.581 26.457 -6.931 578 HD3 LYS 73 3HD LYS 73 -17.733 24.713 -7.159 579 HE2 LYS 73 2HE LYS 73 -15.029 25.061 -6.781 580 HE3 LYS 73 3HE LYS 73 -15.738 26.247 -5.686 581 HZ1 LYS 73 1HZ LYS 73 -17.242 24.249 -5.029 582 HZ2 LYS 73 2HZ LYS 73 -15.688 24.388 -4.377 583 HZ3 LYS 73 3HZ LYS 73 -15.975 23.321 -5.657 584 H PHE 74 H PHE 74 -14.008 23.587 -11.766 585 HA PHE 74 HA PHE 74 -12.954 26.289 -12.019 586 HB2 PHE 74 2HB PHE 74 -11.795 23.536 -12.186 587 HB3 PHE 74 3HB PHE 74 -10.944 24.865 -12.969 588 HD1 PHE 74 HD1 PHE 74 -10.833 22.968 -10.194 589 HD2 PHE 74 HD2 PHE 74 -11.080 27.082 -11.257 590 HE1 PHE 74 HE1 PHE 74 -9.821 23.582 -8.037 591 HE2 PHE 74 HE2 PHE 74 -10.069 27.703 -9.102 592 HZ PHE 74 HZ PHE 74 -9.437 25.952 -7.489 593 H GLY 75 H GLY 75 -14.758 24.184 -13.875 594 HA2 GLY 75 2HA GLY 75 -15.579 24.863 -16.017 595 HA3 GLY 75 3HA GLY 75 -14.048 25.675 -16.309 596 H SER 76 H SER 76 -14.108 24.552 -18.375 597 HA SER 76 HA SER 76 -13.596 21.676 -18.249 598 HB2 SER 76 2HB SER 76 -14.732 23.482 -20.214 599 HB3 SER 76 3HB SER 76 -13.457 22.491 -20.922 600 HG SER 76 HG SER 76 -15.383 21.369 -21.064 601 H SER 77 H SER 77 -11.830 20.804 -19.624 602 HA SER 77 HA SER 77 -9.674 22.331 -20.535 603 HB2 SER 77 2HB SER 77 -8.825 23.009 -18.540 604 HB3 SER 77 3HB SER 77 -9.676 21.754 -17.639 605 HG SER 77 HG SER 77 -7.127 21.781 -18.600 606 H LYS 78 H LYS 78 -8.868 21.021 -22.021 607 HA LYS 78 HA LYS 78 -9.297 18.231 -22.056 608 HB2 LYS 78 2HB LYS 78 -7.847 18.220 -24.025 609 HB3 LYS 78 3HB LYS 78 -8.997 19.548 -24.101 610 HG2 LYS 78 2HG LYS 78 -7.095 20.963 -23.095 611 HG3 LYS 78 3HG LYS 78 -6.050 19.636 -23.606 612 HD2 LYS 78 2HD LYS 78 -7.985 20.731 -25.579 613 HD3 LYS 78 3HD LYS 78 -6.565 21.702 -25.185 614 HE2 LYS 78 2HE LYS 78 -5.227 19.556 -25.619 615 HE3 LYS 78 3HE LYS 78 -6.693 18.956 -26.392 616 HZ1 LYS 78 1HZ LYS 78 -4.969 21.209 -27.204 617 HZ2 LYS 78 2HZ LYS 78 -6.578 21.124 -27.721 618 HZ3 LYS 78 3HZ LYS 78 -5.495 19.889 -28.124 619 H GLU 79 H GLU 79 -6.886 20.175 -20.586 620 HA GLU 79 HA GLU 79 -4.771 18.283 -20.524 621 HB2 GLU 79 2HB GLU 79 -5.387 20.681 -18.798 622 HB3 GLU 79 3HB GLU 79 -3.928 19.716 -18.620 623 HG2 GLU 79 2HG GLU 79 -3.175 20.311 -20.797 624 HG3 GLU 79 3HG GLU 79 -4.718 21.071 -21.184 625 H ILE 80 H ILE 80 -6.812 19.402 -17.820 626 HA ILE 80 HA ILE 80 -6.133 17.320 -16.080 627 HB ILE 80 HB ILE 80 -7.154 19.322 -15.217 628 HG12 ILE 80 2HG1 ILE 80 -9.393 17.509 -14.622 629 HG13 ILE 80 3HG1 ILE 80 -7.802 16.781 -14.425 630 HG21 ILE 80 1HG2 ILE 80 -8.874 20.328 -16.195 631 HG22 ILE 80 2HG2 ILE 80 -8.903 19.033 -17.391 632 HG23 ILE 80 3HG2 ILE 80 -9.897 18.914 -15.939 633 HD11 ILE 80 1HD1 ILE 80 -9.131 18.259 -12.551 634 HD12 ILE 80 2HD1 ILE 80 -7.400 17.924 -12.559 635 HD13 ILE 80 3HD1 ILE 80 -8.009 19.432 -13.240 636 H ASP 81 H ASP 81 -8.568 17.536 -18.581 637 HA ASP 81 HA ASP 81 -10.184 15.372 -17.859 638 HB2 ASP 81 2HB ASP 81 -10.947 16.847 -19.573 639 HB3 ASP 81 3HB ASP 81 -9.514 16.552 -20.555 640 H MET 82 H MET 82 -7.387 15.457 -20.064 641 HA MET 82 HA MET 82 -7.352 12.720 -20.656 642 HB2 MET 82 2HB MET 82 -5.684 15.007 -21.145 643 HB3 MET 82 3HB MET 82 -4.682 13.638 -20.687 644 HG2 MET 82 2HG MET 82 -6.807 13.273 -22.742 645 HG3 MET 82 3HG MET 82 -5.295 14.062 -23.182 646 HE1 MET 82 1HE MET 82 -3.840 12.933 -24.405 647 HE2 MET 82 2HE MET 82 -3.400 11.224 -24.377 648 HE3 MET 82 3HE MET 82 -4.952 11.726 -25.052 649 H ALA 83 H ALA 83 -5.701 14.563 -18.118 650 HA ALA 83 HA ALA 83 -4.135 12.524 -17.052 651 HB1 ALA 83 1HB ALA 83 -4.440 15.122 -16.478 652 HB2 ALA 83 2HB ALA 83 -5.333 14.420 -15.129 653 HB3 ALA 83 3HB ALA 83 -3.645 13.981 -15.393 654 H ILE 84 H ILE 84 -7.489 13.415 -16.334 655 HA ILE 84 HA ILE 84 -7.907 11.638 -14.207 656 HB ILE 84 HB ILE 84 -9.851 12.760 -16.223 657 HG12 ILE 84 2HG1 ILE 84 -9.543 13.476 -13.310 658 HG13 ILE 84 3HG1 ILE 84 -8.601 14.269 -14.569 659 HG21 ILE 84 1HG2 ILE 84 -11.285 11.205 -15.515 660 HG22 ILE 84 2HG2 ILE 84 -10.219 10.705 -14.202 661 HG23 ILE 84 3HG2 ILE 84 -11.303 12.078 -13.983 662 HD11 ILE 84 1HD1 ILE 84 -10.417 15.682 -14.184 663 HD12 ILE 84 2HD1 ILE 84 -10.835 14.810 -15.659 664 HD13 ILE 84 3HD1 ILE 84 -11.560 14.341 -14.122 665 H VAL 85 H VAL 85 -8.688 11.250 -17.665 666 HA VAL 85 HA VAL 85 -9.690 8.660 -17.547 667 HB VAL 85 HB VAL 85 -8.138 9.936 -19.803 668 HG11 VAL 85 1HG1 VAL 85 -9.345 7.308 -19.493 669 HG12 VAL 85 2HG1 VAL 85 -9.964 8.185 -20.894 670 HG13 VAL 85 3HG1 VAL 85 -8.230 7.903 -20.723 671 HG21 VAL 85 1HG2 VAL 85 -11.022 9.996 -18.997 672 HG22 VAL 85 2HG2 VAL 85 -9.964 11.334 -19.446 673 HG23 VAL 85 3HG2 VAL 85 -10.549 10.219 -20.681 674 H THR 86 H THR 86 -6.397 9.804 -17.509 675 HA THR 86 HA THR 86 -5.133 7.348 -18.153 676 HB THR 86 HB THR 86 -4.095 9.750 -16.637 677 HG1 THR 86 HG1 THR 86 -4.677 9.908 -18.954 678 HG21 THR 86 1HG2 THR 86 -2.563 8.185 -15.963 679 HG22 THR 86 2HG2 THR 86 -1.862 8.630 -17.520 680 HG23 THR 86 3HG2 THR 86 -2.825 7.160 -17.373 681 H LEU 87 H LEU 87 -5.831 8.945 -15.051 682 HA LEU 87 HA LEU 87 -4.706 6.956 -13.410 683 HB2 LEU 87 2HB LEU 87 -7.027 8.729 -12.687 684 HB3 LEU 87 3HB LEU 87 -5.849 7.999 -11.598 685 HG LEU 87 HG LEU 87 -4.905 9.941 -13.657 686 HD11 LEU 87 1HD1 LEU 87 -5.530 11.193 -11.118 687 HD12 LEU 87 2HD1 LEU 87 -6.974 10.623 -11.955 688 HD13 LEU 87 3HD1 LEU 87 -5.869 11.736 -12.762 689 HD21 LEU 87 1HD2 LEU 87 -3.929 8.672 -11.223 690 HD22 LEU 87 2HD2 LEU 87 -3.668 10.416 -11.248 691 HD23 LEU 87 3HD2 LEU 87 -3.037 9.410 -12.554 692 H LYS 88 H LYS 88 -7.861 7.282 -14.894 693 HA LYS 88 HA LYS 88 -9.213 5.309 -13.404 694 HB2 LYS 88 2HB LYS 88 -9.748 6.012 -16.290 695 HB3 LYS 88 3HB LYS 88 -10.887 5.374 -15.112 696 HG2 LYS 88 2HG LYS 88 -9.822 7.783 -14.067 697 HG3 LYS 88 3HG LYS 88 -10.307 8.077 -15.738 698 HD2 LYS 88 2HD LYS 88 -12.451 6.721 -14.950 699 HD3 LYS 88 3HD LYS 88 -11.953 7.345 -13.376 700 HE2 LYS 88 2HE LYS 88 -12.366 9.518 -13.954 701 HE3 LYS 88 3HE LYS 88 -12.044 9.238 -15.665 702 HZ1 LYS 88 1HZ LYS 88 -14.503 9.447 -14.492 703 HZ2 LYS 88 2HZ LYS 88 -14.325 7.786 -14.752 704 HZ3 LYS 88 3HZ LYS 88 -14.185 8.863 -16.048 705 H VAL 89 H VAL 89 -7.773 5.100 -16.663 706 HA VAL 89 HA VAL 89 -8.127 2.342 -16.988 707 HB VAL 89 HB VAL 89 -7.585 3.831 -18.856 708 HG11 VAL 89 1HG1 VAL 89 -6.022 5.332 -17.848 709 HG12 VAL 89 2HG1 VAL 89 -4.891 4.019 -17.519 710 HG13 VAL 89 3HG1 VAL 89 -5.206 4.518 -19.181 711 HG21 VAL 89 1HG2 VAL 89 -7.038 1.322 -18.800 712 HG22 VAL 89 2HG2 VAL 89 -6.305 2.300 -20.071 713 HG23 VAL 89 3HG2 VAL 89 -5.356 1.832 -18.660 714 H PHE 90 H PHE 90 -5.715 4.161 -15.267 715 HA PHE 90 HA PHE 90 -3.743 2.133 -15.095 716 HB2 PHE 90 2HB PHE 90 -3.503 4.650 -14.613 717 HB3 PHE 90 3HB PHE 90 -4.162 4.279 -13.023 718 HD1 PHE 90 HD1 PHE 90 -1.618 2.727 -15.277 719 HD2 PHE 90 HD2 PHE 90 -2.565 4.186 -11.391 720 HE1 PHE 90 HE1 PHE 90 0.630 2.100 -14.497 721 HE2 PHE 90 HE2 PHE 90 -0.318 3.562 -10.606 722 HZ PHE 90 HZ PHE 90 1.283 2.519 -12.160 723 H ALA 91 H ALA 91 -6.415 3.091 -12.979 724 HA ALA 91 HA ALA 91 -5.844 1.271 -10.895 725 HB1 ALA 91 1HB ALA 91 -7.323 2.705 -10.028 726 HB2 ALA 91 2HB ALA 91 -8.015 3.090 -11.605 727 HB3 ALA 91 3HB ALA 91 -8.548 1.651 -10.735 728 H VAL 92 H VAL 92 -8.048 1.080 -13.677 729 HA VAL 92 HA VAL 92 -9.029 -1.511 -13.055 730 HB VAL 92 HB VAL 92 -8.981 -0.087 -15.720 731 HG11 VAL 92 1HG1 VAL 92 -10.051 -2.684 -14.834 732 HG12 VAL 92 2HG1 VAL 92 -11.146 -1.694 -15.800 733 HG13 VAL 92 3HG1 VAL 92 -9.563 -2.143 -16.439 734 HG21 VAL 92 1HG2 VAL 92 -10.147 1.051 -13.766 735 HG22 VAL 92 2HG2 VAL 92 -11.116 0.767 -15.213 736 HG23 VAL 92 3HG2 VAL 92 -11.295 -0.289 -13.811 737 H ALA 93 H ALA 93 -6.781 -0.430 -15.608 738 HA ALA 93 HA ALA 93 -6.015 -3.036 -16.381 739 HB1 ALA 93 1HB ALA 93 -4.266 -1.968 -17.659 740 HB2 ALA 93 2HB ALA 93 -5.760 -1.041 -17.809 741 HB3 ALA 93 3HB ALA 93 -4.472 -0.471 -16.748 742 H GLY 94 H GLY 94 -5.239 -1.210 -13.641 743 HA2 GLY 94 2HA GLY 94 -2.674 -2.575 -13.236 744 HA3 GLY 94 3HA GLY 94 -3.291 -1.234 -12.282 745 H LEU 95 H LEU 95 -5.258 -1.729 -10.949 746 HA LEU 95 HA LEU 95 -4.731 -3.866 -9.217 747 HB2 LEU 95 2HB LEU 95 -7.112 -2.085 -9.608 748 HB3 LEU 95 3HB LEU 95 -7.118 -3.374 -8.406 749 HG LEU 95 HG LEU 95 -6.603 -1.299 -7.322 750 HD11 LEU 95 1HD1 LEU 95 -5.306 -3.476 -6.814 751 HD12 LEU 95 2HD1 LEU 95 -4.733 -1.957 -6.126 752 HD13 LEU 95 3HD1 LEU 95 -3.937 -2.637 -7.544 753 HD21 LEU 95 1HD2 LEU 95 -5.735 -0.218 -9.444 754 HD22 LEU 95 2HD2 LEU 95 -4.192 -0.999 -9.095 755 HD23 LEU 95 3HD2 LEU 95 -4.869 0.167 -7.956 756 H LEU 96 H LEU 96 -7.114 -3.518 -11.814 757 HA LEU 96 HA LEU 96 -8.070 -6.231 -11.404 758 HB2 LEU 96 2HB LEU 96 -9.028 -3.840 -12.706 759 HB3 LEU 96 3HB LEU 96 -9.148 -5.234 -13.778 760 HG LEU 96 HG LEU 96 -10.188 -6.100 -11.334 761 HD11 LEU 96 1HD1 LEU 96 -12.090 -4.231 -11.349 762 HD12 LEU 96 2HD1 LEU 96 -10.714 -3.229 -11.809 763 HD13 LEU 96 3HD1 LEU 96 -10.672 -4.144 -10.303 764 HD21 LEU 96 1HD2 LEU 96 -11.250 -6.964 -13.146 765 HD22 LEU 96 2HD2 LEU 96 -11.193 -5.448 -14.046 766 HD23 LEU 96 3HD2 LEU 96 -12.390 -5.671 -12.769 767 H ASN 97 H ASN 97 -5.472 -4.880 -12.903 768 HA ASN 97 HA ASN 97 -4.042 -5.506 -14.565 769 HB2 ASN 97 2HB ASN 97 -4.455 -7.648 -12.944 770 HB3 ASN 97 3HB ASN 97 -4.907 -8.329 -14.504 771 HD21 ASN 97 1HD2 ASN 97 -2.382 -6.204 -13.193 772 HD22 ASN 97 2HD2 ASN 97 -1.069 -6.991 -13.994 773 H MET 98 H MET 98 -6.745 -4.747 -15.369 774 HA MET 98 HA MET 98 -7.644 -6.450 -17.457 775 HB2 MET 98 2HB MET 98 -8.385 -3.877 -16.325 776 HB3 MET 98 3HB MET 98 -8.539 -3.889 -18.076 777 HG2 MET 98 2HG MET 98 -9.654 -6.299 -17.196 778 HG3 MET 98 3HG MET 98 -10.235 -5.061 -16.085 779 HE1 MET 98 1HE MET 98 -12.109 -6.223 -19.786 780 HE2 MET 98 2HE MET 98 -11.026 -7.056 -18.672 781 HE3 MET 98 3HE MET 98 -12.600 -6.488 -18.113 782 H THR 99 H THR 99 -7.327 -6.347 -19.656 783 HA THR 99 HA THR 99 -4.810 -5.309 -20.528 784 HB THR 99 HB THR 99 -5.986 -5.998 -22.854 785 HG1 THR 99 HG1 THR 99 -7.825 -6.958 -22.474 786 HG21 THR 99 1HG2 THR 99 -5.288 -8.448 -21.572 787 HG22 THR 99 2HG2 THR 99 -4.204 -7.183 -20.994 788 HG23 THR 99 3HG2 THR 99 -4.348 -7.499 -22.723 789 H VAL 100 H VAL 100 -8.142 -4.669 -21.645 790 HA VAL 100 HA VAL 100 -9.126 -2.800 -22.495 791 HB VAL 100 HB VAL 100 -6.772 -1.242 -21.435 792 HG11 VAL 100 1HG1 VAL 100 -9.621 -0.504 -22.080 793 HG12 VAL 100 2HG1 VAL 100 -8.492 0.551 -21.226 794 HG13 VAL 100 3HG1 VAL 100 -8.159 0.061 -22.888 795 HG21 VAL 100 1HG2 VAL 100 -8.060 -0.952 -19.372 796 HG22 VAL 100 2HG2 VAL 100 -9.292 -2.055 -19.987 797 HG23 VAL 100 3HG2 VAL 100 -7.664 -2.647 -19.654 798 H SER 101 H SER 101 -9.051 -1.413 -24.317 799 HA SER 101 HA SER 101 -6.694 -1.849 -26.032 800 HB2 SER 101 2HB SER 101 -9.426 -2.429 -26.505 801 HB3 SER 101 3HB SER 101 -9.005 -1.072 -27.549 802 HG SER 101 HG SER 101 -7.265 -2.314 -28.342 803 H THR 102 H THR 102 -8.883 0.464 -24.676 804 HA THR 102 HA THR 102 -7.201 2.627 -25.677 805 HB THR 102 HB THR 102 -8.998 3.970 -26.495 806 HG1 THR 102 HG1 THR 102 -11.089 3.505 -26.147 807 HG21 THR 102 1HG2 THR 102 -8.098 2.190 -28.012 808 HG22 THR 102 2HG2 THR 102 -9.731 2.726 -28.408 809 HG23 THR 102 3HG2 THR 102 -9.484 1.194 -27.572 810 H ALA 103 H ALA 103 -7.021 4.331 -24.288 811 HA ALA 103 HA ALA 103 -7.491 4.005 -21.591 812 HB1 ALA 103 1HB ALA 103 -6.730 6.173 -21.292 813 HB2 ALA 103 2HB ALA 103 -6.027 5.729 -22.848 814 HB3 ALA 103 3HB ALA 103 -7.466 6.746 -22.789 815 H ALA 104 H ALA 104 -9.589 5.384 -24.042 816 HA ALA 104 HA ALA 104 -11.479 6.583 -22.338 817 HB1 ALA 104 1HB ALA 104 -11.911 7.316 -24.419 818 HB2 ALA 104 2HB ALA 104 -11.346 5.825 -25.173 819 HB3 ALA 104 3HB ALA 104 -12.971 5.908 -24.492 820 H ALA 105 H ALA 105 -11.524 3.397 -23.938 821 HA ALA 105 HA ALA 105 -13.921 2.458 -22.913 822 HB1 ALA 105 1HB ALA 105 -11.496 1.236 -24.047 823 HB2 ALA 105 2HB ALA 105 -12.488 0.175 -23.048 824 HB3 ALA 105 3HB ALA 105 -13.194 0.980 -24.448 825 H ALA 106 H ALA 106 -10.692 2.394 -21.477 826 HA ALA 106 HA ALA 106 -11.307 0.789 -19.250 827 HB1 ALA 106 1HB ALA 106 -9.058 2.186 -20.226 828 HB2 ALA 106 2HB ALA 106 -9.307 2.700 -18.558 829 HB3 ALA 106 3HB ALA 106 -9.122 0.987 -18.933 830 H GLU 107 H GLU 107 -11.078 4.340 -19.509 831 HA GLU 107 HA GLU 107 -11.924 4.900 -16.897 832 HB2 GLU 107 2HB GLU 107 -10.851 6.623 -18.152 833 HB3 GLU 107 3HB GLU 107 -12.049 6.523 -19.436 834 HG2 GLU 107 2HG GLU 107 -13.127 7.159 -16.784 835 HG3 GLU 107 3HG GLU 107 -12.052 8.376 -17.469 836 H ASN 108 H ASN 108 -13.720 4.294 -19.848 837 HA ASN 108 HA ASN 108 -16.237 5.211 -19.051 838 HB2 ASN 108 2HB ASN 108 -15.784 4.611 -21.360 839 HB3 ASN 108 3HB ASN 108 -15.509 2.933 -20.903 840 HD21 ASN 108 1HD2 ASN 108 -17.103 1.916 -21.942 841 HD22 ASN 108 2HD2 ASN 108 -18.787 2.240 -21.731 842 H MET 109 H MET 109 -14.896 1.913 -18.867 843 HA MET 109 HA MET 109 -17.101 0.826 -17.468 844 HB2 MET 109 2HB MET 109 -15.462 -0.526 -18.746 845 HB3 MET 109 3HB MET 109 -14.244 -0.162 -17.531 846 HG2 MET 109 2HG MET 109 -16.392 -1.166 -16.087 847 HG3 MET 109 3HG MET 109 -16.310 -2.173 -17.531 848 HE1 MET 109 1HE MET 109 -14.674 -0.917 -14.351 849 HE2 MET 109 2HE MET 109 -13.135 -1.770 -14.245 850 HE3 MET 109 3HE MET 109 -13.327 -0.434 -15.382 851 H TYR 110 H TYR 110 -14.206 2.487 -16.454 852 HA TYR 110 HA TYR 110 -14.109 1.728 -13.771 853 HB2 TYR 110 2HB TYR 110 -12.280 2.951 -14.738 854 HB3 TYR 110 3HB TYR 110 -13.322 4.320 -15.110 855 HD1 TYR 110 HD1 TYR 110 -11.338 2.664 -12.560 856 HD2 TYR 110 HD2 TYR 110 -14.143 5.779 -13.285 857 HE1 TYR 110 HE1 TYR 110 -10.761 3.679 -10.395 858 HE2 TYR 110 HE2 TYR 110 -13.574 6.804 -11.123 859 HH TYR 110 HH TYR 110 -11.553 5.187 -8.799 860 H SER 111 H SER 111 -15.808 4.451 -15.298 861 HA SER 111 HA SER 111 -17.085 5.156 -12.792 862 HB2 SER 111 2HB SER 111 -16.363 6.938 -14.324 863 HB3 SER 111 3HB SER 111 -17.442 6.308 -15.569 864 HG SER 111 HG SER 111 -18.412 7.055 -13.027 865 H GLN 112 H GLN 112 -17.832 3.445 -15.730 866 HA GLN 112 HA GLN 112 -20.597 3.472 -15.724 867 HB2 GLN 112 2HB GLN 112 -19.265 2.478 -17.524 868 HB3 GLN 112 3HB GLN 112 -18.769 1.177 -16.450 869 HG2 GLN 112 2HG GLN 112 -21.614 1.319 -16.472 870 HG3 GLN 112 3HG GLN 112 -21.025 1.297 -18.133 871 HE21 GLN 112 1HE2 GLN 112 -20.917 -0.656 -18.949 872 HE22 GLN 112 2HE2 GLN 112 -20.539 -2.107 -18.091 873 H MET 113 H MET 113 -18.407 1.288 -13.981 874 HA MET 113 HA MET 113 -20.713 0.383 -12.385 875 HB2 MET 113 2HB MET 113 -19.367 -1.307 -13.784 876 HB3 MET 113 3HB MET 113 -18.093 -1.084 -12.591 877 HG2 MET 113 2HG MET 113 -20.545 -1.566 -11.228 878 HG3 MET 113 3HG MET 113 -20.332 -2.794 -12.473 879 HE1 MET 113 1HE MET 113 -17.979 -3.633 -12.974 880 HE2 MET 113 2HE MET 113 -16.656 -2.857 -12.104 881 HE3 MET 113 3HE MET 113 -17.118 -4.514 -11.711 882 H GLY 114 H GLY 114 -18.727 2.725 -12.122 883 HA2 GLY 114 2HA GLY 114 -17.597 3.809 -10.440 884 HA3 GLY 114 3HA GLY 114 -18.715 2.970 -9.375 885 H LEU 115 H LEU 115 -16.456 1.243 -11.395 886 HA LEU 115 HA LEU 115 -14.803 -0.235 -10.872 887 HB2 LEU 115 2HB LEU 115 -13.978 2.233 -10.167 888 HB3 LEU 115 3HB LEU 115 -13.836 1.405 -8.618 889 HG LEU 115 HG LEU 115 -11.718 1.442 -9.853 890 HD11 LEU 115 1HD1 LEU 115 -11.219 -0.949 -9.690 891 HD12 LEU 115 2HD1 LEU 115 -12.945 -1.300 -9.598 892 HD13 LEU 115 3HD1 LEU 115 -12.161 -0.384 -8.310 893 HD21 LEU 115 1HD2 LEU 115 -13.170 1.140 -12.094 894 HD22 LEU 115 2HD2 LEU 115 -12.659 -0.528 -11.837 895 HD23 LEU 115 3HD2 LEU 115 -11.453 0.751 -11.986 896 H ASP 116 H ASP 116 -17.214 -0.870 -9.675 897 HA ASP 116 HA ASP 116 -18.121 -2.214 -8.080 898 HB2 ASP 116 2HB ASP 116 -15.250 -2.887 -8.085 899 HB3 ASP 116 3HB ASP 116 -16.113 -3.340 -6.618 900 H THR 117 H THR 117 -17.986 -2.705 -5.584 901 HA THR 117 HA THR 117 -18.210 -1.896 -3.468 902 HB THR 117 HB THR 117 -16.335 0.357 -3.788 903 HG1 THR 117 HG1 THR 117 -14.546 -0.983 -4.104 904 HG21 THR 117 1HG2 THR 117 -17.097 -1.655 -1.818 905 HG22 THR 117 2HG2 THR 117 -16.432 -0.039 -1.584 906 HG23 THR 117 3HG2 THR 117 -15.356 -1.399 -1.907 907 H ARG 118 H ARG 118 -18.708 0.180 -2.196 908 HA ARG 118 HA ARG 118 -19.920 2.257 -3.854 909 HB2 ARG 118 2HB ARG 118 -21.385 0.299 -2.186 910 HB3 ARG 118 3HB ARG 118 -21.897 1.974 -2.039 911 HG2 ARG 118 2HG ARG 118 -21.759 1.715 -4.732 912 HG3 ARG 118 3HG ARG 118 -22.233 0.084 -4.252 913 HD2 ARG 118 2HD ARG 118 -24.038 1.162 -2.849 914 HD3 ARG 118 3HD ARG 118 -23.646 2.675 -3.665 915 HE ARG 118 HE ARG 118 -24.217 0.484 -5.445 916 HH11 ARG 118 1HH1 ARG 118 -25.546 3.124 -3.608 917 HH12 ARG 118 2HH1 ARG 118 -26.963 3.268 -4.593 918 HH21 ARG 118 1HH2 ARG 118 -26.078 0.663 -6.751 919 HH22 ARG 118 2HH2 ARG 118 -27.266 1.867 -6.380 920 HA PRO 119 HA PRO 119 -18.592 5.020 -0.717 921 HB2 PRO 119 2HB PRO 119 -20.594 6.854 -0.663 922 HB3 PRO 119 3HB PRO 119 -19.439 6.731 -1.996 923 HG2 PRO 119 2HG PRO 119 -22.231 5.669 -1.804 924 HG3 PRO 119 3HG PRO 119 -21.433 6.482 -3.164 925 HD2 PRO 119 2HD PRO 119 -21.733 3.793 -3.047 926 HD3 PRO 119 3HD PRO 119 -20.340 4.566 -3.832 Start of MODEL 4 1 H1 GLY 2 H GLY 2 11.111 3.221 -3.706 2 HA2 GLY 2 2HA GLY 2 11.024 2.952 -1.413 3 HA3 GLY 2 3HA GLY 2 10.003 4.379 -1.516 4 H ASN 3 H ASN 3 7.655 3.844 -2.163 5 HA ASN 3 HA ASN 3 6.778 1.660 -0.413 6 HB2 ASN 3 2HB ASN 3 6.002 4.110 -0.131 7 HB3 ASN 3 3HB ASN 3 4.987 3.800 -1.537 8 HD21 ASN 3 1HD2 ASN 3 5.798 2.460 1.638 9 HD22 ASN 3 2HD2 ASN 3 4.205 1.898 1.999 10 H LEU 4 H LEU 4 5.951 3.130 -3.552 11 HA LEU 4 HA LEU 4 4.122 1.267 -4.443 12 HB2 LEU 4 2HB LEU 4 4.904 1.900 -6.747 13 HB3 LEU 4 3HB LEU 4 4.419 3.233 -5.702 14 HG LEU 4 HG LEU 4 7.295 2.622 -5.669 15 HD11 LEU 4 1HD1 LEU 4 5.902 2.889 -8.183 16 HD12 LEU 4 2HD1 LEU 4 7.600 2.536 -7.867 17 HD13 LEU 4 3HD1 LEU 4 7.047 4.208 -7.937 18 HD21 LEU 4 1HD2 LEU 4 6.322 5.293 -6.374 19 HD22 LEU 4 2HD2 LEU 4 7.435 4.786 -5.103 20 HD23 LEU 4 3HD2 LEU 4 5.693 4.670 -4.848 21 H LYS 5 H LYS 5 4.383 -0.870 -4.360 22 HA LYS 5 HA LYS 5 6.743 -2.303 -4.347 23 HB2 LYS 5 2HB LYS 5 4.292 -3.059 -3.919 24 HB3 LYS 5 3HB LYS 5 4.275 -3.426 -5.639 25 HG2 LYS 5 2HG LYS 5 5.702 -5.184 -5.423 26 HG3 LYS 5 3HG LYS 5 6.524 -4.490 -4.023 27 HD2 LYS 5 2HD LYS 5 4.608 -5.013 -2.616 28 HD3 LYS 5 3HD LYS 5 3.738 -5.653 -4.012 29 HE2 LYS 5 2HE LYS 5 6.404 -6.747 -3.170 30 HE3 LYS 5 3HE LYS 5 4.901 -7.322 -2.451 31 HZ1 LYS 5 1HZ LYS 5 5.748 -8.632 -4.394 32 HZ2 LYS 5 2HZ LYS 5 5.379 -7.305 -5.375 33 HZ3 LYS 5 3HZ LYS 5 4.148 -8.100 -4.530 34 H SER 6 H SER 6 8.191 -2.919 -5.829 35 HA SER 6 HA SER 6 8.313 -1.789 -8.364 36 HB2 SER 6 2HB SER 6 9.647 -4.365 -7.501 37 HB3 SER 6 3HB SER 6 10.168 -3.290 -8.798 38 HG SER 6 HG SER 6 11.184 -2.161 -7.361 39 H ARG 7 H ARG 7 6.685 -4.639 -7.269 40 HA ARG 7 HA ARG 7 6.378 -5.816 -9.874 41 HB2 ARG 7 2HB ARG 7 5.845 -6.565 -7.153 42 HB3 ARG 7 3HB ARG 7 4.400 -6.821 -8.123 43 HG2 ARG 7 2HG ARG 7 5.369 -8.820 -8.489 44 HG3 ARG 7 3HG ARG 7 6.211 -7.921 -9.753 45 HD2 ARG 7 2HD ARG 7 8.092 -7.548 -8.254 46 HD3 ARG 7 3HD ARG 7 7.243 -8.389 -6.957 47 HE ARG 7 HE ARG 7 7.376 -10.161 -9.070 48 HH11 ARG 7 1HH1 ARG 7 9.620 -8.436 -7.043 49 HH12 ARG 7 2HH1 ARG 7 10.855 -9.646 -7.155 50 HH21 ARG 7 1HH2 ARG 7 8.994 -11.762 -9.226 51 HH22 ARG 7 2HH2 ARG 7 10.498 -11.537 -8.398 52 H ASP 8 H ASP 8 3.926 -4.627 -7.571 53 HA ASP 8 HA ASP 8 1.829 -4.444 -9.376 54 HB2 ASP 8 2HB ASP 8 2.201 -2.528 -7.076 55 HB3 ASP 8 3HB ASP 8 0.691 -3.133 -7.754 56 H TRP 9 H TRP 9 4.407 -2.164 -8.691 57 HA TRP 9 HA TRP 9 3.286 0.015 -10.136 58 HB2 TRP 9 2HB TRP 9 4.962 0.470 -8.473 59 HB3 TRP 9 3HB TRP 9 6.118 -0.592 -9.273 60 HD1 TRP 9 HD1 TRP 9 7.968 0.917 -10.195 61 HE1 TRP 9 HE1 TRP 9 8.060 3.090 -11.570 62 HE3 TRP 9 HE3 TRP 9 2.969 1.971 -10.381 63 HZ2 TRP 9 HZ2 TRP 9 6.253 4.999 -12.598 64 HZ3 TRP 9 HZ3 TRP 9 2.234 3.990 -11.580 65 HH2 TRP 9 HH2 TRP 9 3.843 5.472 -12.663 66 H LYS 10 H LYS 10 6.087 -2.053 -10.932 67 HA LYS 10 HA LYS 10 6.368 -1.221 -13.574 68 HB2 LYS 10 2HB LYS 10 8.046 -2.546 -12.322 69 HB3 LYS 10 3HB LYS 10 6.997 -3.953 -12.438 70 HG2 LYS 10 2HG LYS 10 7.589 -2.690 -15.009 71 HG3 LYS 10 3HG LYS 10 9.001 -3.339 -14.173 72 HD2 LYS 10 2HD LYS 10 8.012 -5.514 -14.048 73 HD3 LYS 10 3HD LYS 10 6.465 -4.902 -14.640 74 HE2 LYS 10 2HE LYS 10 7.462 -4.395 -16.793 75 HE3 LYS 10 3HE LYS 10 9.045 -4.908 -16.206 76 HZ1 LYS 10 1HZ LYS 10 8.406 -6.816 -17.204 77 HZ2 LYS 10 2HZ LYS 10 6.753 -6.515 -17.016 78 HZ3 LYS 10 3HZ LYS 10 7.661 -7.096 -15.711 79 H MET 11 H MET 11 4.070 -3.368 -12.141 80 HA MET 11 HA MET 11 3.304 -4.639 -14.609 81 HB2 MET 11 2HB MET 11 3.081 -5.746 -12.390 82 HB3 MET 11 3HB MET 11 1.839 -4.575 -11.965 83 HG2 MET 11 2HG MET 11 0.472 -5.378 -13.844 84 HG3 MET 11 3HG MET 11 1.704 -6.585 -14.200 85 HE1 MET 11 1HE MET 11 1.040 -9.433 -12.025 86 HE2 MET 11 2HE MET 11 1.842 -8.686 -13.407 87 HE3 MET 11 3HE MET 11 2.442 -8.392 -11.774 88 H ALA 12 H ALA 12 2.074 -2.033 -12.566 89 HA ALA 12 HA ALA 12 -0.340 -1.600 -13.957 90 HB1 ALA 12 1HB ALA 12 1.125 0.616 -12.583 91 HB2 ALA 12 2HB ALA 12 -0.608 0.290 -12.649 92 HB3 ALA 12 3HB ALA 12 0.442 -0.717 -11.651 93 H ILE 13 H ILE 13 2.914 -0.293 -14.373 94 HA ILE 13 HA ILE 13 2.140 1.553 -16.429 95 HB ILE 13 HB ILE 13 4.876 0.562 -15.621 96 HG12 ILE 13 2HG1 ILE 13 3.593 1.844 -13.894 97 HG13 ILE 13 3HG1 ILE 13 5.081 2.634 -14.406 98 HG21 ILE 13 1HG2 ILE 13 5.641 2.638 -16.830 99 HG22 ILE 13 2HG2 ILE 13 5.053 1.329 -17.853 100 HG23 ILE 13 3HG2 ILE 13 4.025 2.725 -17.529 101 HD11 ILE 13 1HD1 ILE 13 2.647 3.395 -15.875 102 HD12 ILE 13 2HD1 ILE 13 2.730 3.890 -14.184 103 HD13 ILE 13 3HD1 ILE 13 3.995 4.382 -15.311 104 H LYS 14 H LYS 14 3.734 -1.612 -16.346 105 HA LYS 14 HA LYS 14 4.201 -1.797 -19.127 106 HB2 LYS 14 2HB LYS 14 5.322 -3.186 -17.375 107 HB3 LYS 14 3HB LYS 14 3.814 -4.069 -17.170 108 HG2 LYS 14 2HG LYS 14 5.177 -5.385 -18.572 109 HG3 LYS 14 3HG LYS 14 3.956 -4.653 -19.616 110 HD2 LYS 14 2HD LYS 14 5.479 -3.179 -20.571 111 HD3 LYS 14 3HD LYS 14 6.613 -3.327 -19.228 112 HE2 LYS 14 2HE LYS 14 6.731 -5.825 -20.010 113 HE3 LYS 14 3HE LYS 14 6.138 -5.163 -21.532 114 HZ1 LYS 14 1HZ LYS 14 8.343 -3.705 -20.374 115 HZ2 LYS 14 2HZ LYS 14 8.096 -4.207 -21.969 116 HZ3 LYS 14 3HZ LYS 14 8.725 -5.288 -20.831 117 H ARG 15 H ARG 15 1.495 -2.742 -17.078 118 HA ARG 15 HA ARG 15 0.077 -4.167 -19.083 119 HB2 ARG 15 2HB ARG 15 -0.280 -4.368 -16.599 120 HB3 ARG 15 3HB ARG 15 -1.084 -2.805 -16.651 121 HG2 ARG 15 2HG ARG 15 -2.686 -4.638 -16.654 122 HG3 ARG 15 3HG ARG 15 -2.774 -3.705 -18.149 123 HD2 ARG 15 2HD ARG 15 -2.865 -6.199 -18.434 124 HD3 ARG 15 3HD ARG 15 -1.609 -5.379 -19.363 125 HE ARG 15 HE ARG 15 -0.630 -6.288 -16.850 126 HH11 ARG 15 1HH1 ARG 15 -1.451 -7.335 -20.067 127 HH12 ARG 15 2HH1 ARG 15 -0.356 -8.678 -20.050 128 HH21 ARG 15 1HH2 ARG 15 0.816 -8.052 -16.816 129 HH22 ARG 15 2HH2 ARG 15 0.932 -9.085 -18.200 130 H CYS 16 H CYS 16 -0.612 -0.981 -17.624 131 HA CYS 16 HA CYS 16 -2.565 -0.224 -19.476 132 HB2 CYS 16 2HB CYS 16 -1.733 0.836 -17.175 133 HB3 CYS 16 3HB CYS 16 -0.834 1.880 -18.271 134 HG CYS 16 HG CYS 16 -3.221 3.136 -17.413 135 H SER 17 H SER 17 0.853 -0.343 -19.749 136 HA SER 17 HA SER 17 1.381 1.648 -21.615 137 HB2 SER 17 2HB SER 17 2.713 -0.727 -20.624 138 HB3 SER 17 3HB SER 17 3.005 -0.515 -22.350 139 HG SER 17 HG SER 17 4.047 1.319 -21.970 140 H ASN 18 H ASN 18 -0.288 -1.356 -21.977 141 HA ASN 18 HA ASN 18 -0.165 -1.217 -24.894 142 HB2 ASN 18 2HB ASN 18 -1.193 -3.300 -22.970 143 HB3 ASN 18 3HB ASN 18 -1.503 -3.388 -24.702 144 HD21 ASN 18 1HD2 ASN 18 -0.344 -5.413 -24.543 145 HD22 ASN 18 2HD2 ASN 18 1.383 -5.406 -24.605 146 H VAL 19 H VAL 19 -1.628 0.753 -23.249 147 HA VAL 19 HA VAL 19 -4.389 0.221 -24.119 148 HB VAL 19 HB VAL 19 -3.379 2.220 -22.091 149 HG11 VAL 19 1HG1 VAL 19 -5.279 3.285 -22.650 150 HG12 VAL 19 2HG1 VAL 19 -5.970 1.861 -23.432 151 HG13 VAL 19 3HG1 VAL 19 -6.047 2.031 -21.677 152 HG21 VAL 19 1HG2 VAL 19 -4.435 0.801 -20.435 153 HG22 VAL 19 2HG2 VAL 19 -4.971 -0.312 -21.692 154 HG23 VAL 19 3HG2 VAL 19 -3.251 -0.129 -21.351 155 H ALA 20 H ALA 20 -5.499 1.694 -25.372 156 HA ALA 20 HA ALA 20 -3.842 3.478 -26.949 157 HB1 ALA 20 1HB ALA 20 -5.519 3.463 -28.535 158 HB2 ALA 20 2HB ALA 20 -5.698 1.870 -27.801 159 HB3 ALA 20 3HB ALA 20 -6.789 3.177 -27.345 160 H VAL 21 H VAL 21 -4.504 5.688 -27.409 161 HA VAL 21 HA VAL 21 -5.118 7.119 -25.009 162 HB VAL 21 HB VAL 21 -3.534 8.091 -26.533 163 HG11 VAL 21 1HG1 VAL 21 -3.752 7.918 -28.735 164 HG12 VAL 21 2HG1 VAL 21 -5.352 7.207 -28.517 165 HG13 VAL 21 3HG1 VAL 21 -5.178 8.954 -28.690 166 HG21 VAL 21 1HG2 VAL 21 -5.347 9.503 -25.277 167 HG22 VAL 21 2HG2 VAL 21 -4.248 10.275 -26.420 168 HG23 VAL 21 3HG2 VAL 21 -5.895 9.876 -26.911 169 H GLY 22 H GLY 22 -6.901 6.118 -27.832 170 HA2 GLY 22 2HA GLY 22 -9.413 6.352 -26.733 171 HA3 GLY 22 3HA GLY 22 -9.098 7.912 -27.479 172 H VAL 23 H VAL 23 -11.138 6.967 -28.599 173 HA VAL 23 HA VAL 23 -10.394 5.225 -30.837 174 HB VAL 23 HB VAL 23 -12.789 5.013 -31.271 175 HG11 VAL 23 1HG1 VAL 23 -12.009 3.349 -29.832 176 HG12 VAL 23 2HG1 VAL 23 -11.809 4.475 -28.488 177 HG13 VAL 23 3HG1 VAL 23 -13.426 3.993 -29.003 178 HG21 VAL 23 1HG2 VAL 23 -14.383 5.967 -29.571 179 HG22 VAL 23 2HG2 VAL 23 -13.049 6.963 -28.991 180 HG23 VAL 23 3HG2 VAL 23 -13.630 7.146 -30.646 181 H GLY 24 H GLY 24 -11.326 8.485 -30.069 182 HA2 GLY 24 2HA GLY 24 -12.041 9.261 -32.727 183 HA3 GLY 24 3HA GLY 24 -11.698 10.341 -31.385 184 H GLY 25 H GLY 25 -9.112 9.745 -30.758 185 HA2 GLY 25 2HA GLY 25 -7.714 11.036 -32.911 186 HA3 GLY 25 3HA GLY 25 -7.031 10.546 -31.368 187 H LYS 26 H LYS 26 -5.201 9.982 -32.829 188 HA LYS 26 HA LYS 26 -5.413 7.818 -34.646 189 HB2 LYS 26 2HB LYS 26 -3.309 9.513 -33.567 190 HB3 LYS 26 3HB LYS 26 -2.775 7.848 -33.761 191 HG2 LYS 26 2HG LYS 26 -2.237 9.003 -35.759 192 HG3 LYS 26 3HG LYS 26 -3.604 7.945 -36.119 193 HD2 LYS 26 2HD LYS 26 -5.020 10.063 -35.528 194 HD3 LYS 26 3HD LYS 26 -3.517 10.923 -35.872 195 HE2 LYS 26 2HE LYS 26 -4.108 10.864 -38.019 196 HE3 LYS 26 3HE LYS 26 -3.773 9.135 -37.974 197 HZ1 LYS 26 1HZ LYS 26 -6.126 10.163 -38.666 198 HZ2 LYS 26 2HZ LYS 26 -6.391 9.935 -37.010 199 HZ3 LYS 26 3HZ LYS 26 -5.949 8.624 -37.985 200 H SER 27 H SER 27 -4.008 5.794 -34.313 201 HA SER 27 HA SER 27 -4.946 4.511 -31.877 202 HB2 SER 27 2HB SER 27 -5.301 3.323 -33.970 203 HB3 SER 27 3HB SER 27 -3.576 3.386 -34.333 204 HG SER 27 HG SER 27 -4.550 1.396 -33.301 205 H LYS 28 H LYS 28 -3.227 6.176 -30.932 206 HA LYS 28 HA LYS 28 -0.583 4.918 -30.821 207 HB2 LYS 28 2HB LYS 28 -1.617 7.653 -30.424 208 HB3 LYS 28 3HB LYS 28 -0.345 7.167 -29.311 209 HG2 LYS 28 2HG LYS 28 1.062 6.558 -31.256 210 HG3 LYS 28 3HG LYS 28 -0.200 7.188 -32.318 211 HD2 LYS 28 2HD LYS 28 0.567 9.259 -32.057 212 HD3 LYS 28 3HD LYS 28 0.410 9.131 -30.304 213 HE2 LYS 28 2HE LYS 28 2.760 8.156 -31.925 214 HE3 LYS 28 3HE LYS 28 2.709 9.661 -31.010 215 HZ1 LYS 28 1HZ LYS 28 2.021 7.294 -29.499 216 HZ2 LYS 28 2HZ LYS 28 3.019 8.594 -29.081 217 HZ3 LYS 28 3HZ LYS 28 3.623 7.340 -30.043 218 H LYS 29 H LYS 29 0.354 4.248 -28.903 219 HA LYS 29 HA LYS 29 -1.541 3.774 -26.714 220 HB2 LYS 29 2HB LYS 29 1.120 2.463 -27.303 221 HB3 LYS 29 3HB LYS 29 0.043 2.033 -25.981 222 HG2 LYS 29 2HG LYS 29 -1.461 0.994 -27.357 223 HG3 LYS 29 3HG LYS 29 -1.011 1.964 -28.761 224 HD2 LYS 29 2HD LYS 29 0.632 0.548 -29.368 225 HD3 LYS 29 3HD LYS 29 1.135 0.262 -27.701 226 HE2 LYS 29 2HE LYS 29 0.298 -1.793 -28.624 227 HE3 LYS 29 3HE LYS 29 -0.841 -1.209 -27.411 228 HZ1 LYS 29 1HZ LYS 29 -2.277 -1.690 -29.078 229 HZ2 LYS 29 2HZ LYS 29 -1.152 -1.408 -30.308 230 HZ3 LYS 29 3HZ LYS 29 -1.906 -0.105 -29.536 231 H PHE 30 H PHE 30 -0.877 4.072 -24.523 232 HA PHE 30 HA PHE 30 0.692 6.453 -24.158 233 HB2 PHE 30 2HB PHE 30 -1.094 4.779 -22.495 234 HB3 PHE 30 3HB PHE 30 0.176 5.638 -21.631 235 HD1 PHE 30 HD1 PHE 30 -0.866 7.372 -20.517 236 HD2 PHE 30 HD2 PHE 30 -1.822 6.650 -24.603 237 HE1 PHE 30 HE1 PHE 30 -2.227 9.422 -20.558 238 HE2 PHE 30 HE2 PHE 30 -3.183 8.699 -24.649 239 HZ PHE 30 HZ PHE 30 -3.386 10.089 -22.625 240 H GLY 31 H GLY 31 2.471 6.627 -22.634 241 HA2 GLY 31 2HA GLY 31 4.018 4.122 -22.387 242 HA3 GLY 31 3HA GLY 31 4.765 5.613 -22.943 243 H GLU 32 H GLU 32 6.203 5.008 -21.073 244 HA GLU 32 HA GLU 32 5.288 5.211 -18.412 245 HB2 GLU 32 2HB GLU 32 7.685 5.524 -17.844 246 HB3 GLU 32 3HB GLU 32 7.397 4.143 -18.892 247 HG2 GLU 32 2HG GLU 32 9.113 4.980 -20.056 248 HG3 GLU 32 3HG GLU 32 7.887 6.052 -20.730 249 H GLY 33 H GLY 33 6.688 7.586 -20.639 250 HA2 GLY 33 2HA GLY 33 6.808 9.722 -18.785 251 HA3 GLY 33 3HA GLY 33 6.817 9.878 -20.536 252 H ASN 34 H ASN 34 4.275 8.614 -20.972 253 HA ASN 34 HA ASN 34 2.592 10.868 -20.693 254 HB2 ASN 34 2HB ASN 34 1.886 8.008 -21.386 255 HB3 ASN 34 3HB ASN 34 0.826 9.398 -21.602 256 HD21 ASN 34 1HD2 ASN 34 0.948 8.357 -23.823 257 HD22 ASN 34 2HD2 ASN 34 2.154 8.982 -24.890 258 H PHE 35 H PHE 35 2.521 7.672 -19.121 259 HA PHE 35 HA PHE 35 0.345 8.216 -17.426 260 HB2 PHE 35 2HB PHE 35 2.629 6.256 -17.156 261 HB3 PHE 35 3HB PHE 35 1.241 6.290 -16.073 262 HD1 PHE 35 HD1 PHE 35 -1.006 6.705 -17.834 263 HD2 PHE 35 HD2 PHE 35 2.484 4.340 -18.420 264 HE1 PHE 35 HE1 PHE 35 -2.252 5.258 -19.385 265 HE2 PHE 35 HE2 PHE 35 1.244 2.889 -19.973 266 HZ PHE 35 HZ PHE 35 -1.126 3.348 -20.458 267 H ARG 36 H ARG 36 3.739 8.952 -17.185 268 HA ARG 36 HA ARG 36 3.862 9.464 -14.412 269 HB2 ARG 36 2HB ARG 36 5.560 9.908 -16.755 270 HB3 ARG 36 3HB ARG 36 5.726 11.160 -15.531 271 HG2 ARG 36 2HG ARG 36 6.780 9.796 -14.095 272 HG3 ARG 36 3HG ARG 36 5.758 8.414 -14.497 273 HD2 ARG 36 2HD ARG 36 7.342 7.585 -15.813 274 HD3 ARG 36 3HD ARG 36 7.379 9.075 -16.755 275 HE ARG 36 HE ARG 36 9.340 9.592 -15.723 276 HH11 ARG 36 1HH1 ARG 36 7.601 7.343 -13.713 277 HH12 ARG 36 2HH1 ARG 36 8.872 7.202 -12.545 278 HH21 ARG 36 1HH2 ARG 36 11.021 9.415 -14.191 279 HH22 ARG 36 2HH2 ARG 36 10.817 8.382 -12.817 280 H TRP 37 H TRP 37 3.641 11.760 -17.136 281 HA TRP 37 HA TRP 37 3.253 14.057 -15.603 282 HB2 TRP 37 2HB TRP 37 3.796 14.331 -17.899 283 HB3 TRP 37 3HB TRP 37 2.424 13.357 -18.417 284 HD1 TRP 37 HD1 TRP 37 3.401 16.890 -17.525 285 HE1 TRP 37 HE1 TRP 37 1.390 18.453 -17.899 286 HE3 TRP 37 HE3 TRP 37 -0.230 13.373 -18.289 287 HZ2 TRP 37 HZ2 TRP 37 -1.369 18.225 -18.446 288 HZ3 TRP 37 HZ3 TRP 37 -2.530 14.129 -18.731 289 HH2 TRP 37 HH2 TRP 37 -3.085 16.506 -18.807 290 H ALA 38 H ALA 38 0.961 11.650 -16.742 291 HA ALA 38 HA ALA 38 -1.383 13.108 -16.034 292 HB1 ALA 38 1HB ALA 38 -2.473 10.822 -16.217 293 HB2 ALA 38 2HB ALA 38 -1.662 11.431 -17.661 294 HB3 ALA 38 3HB ALA 38 -0.877 10.212 -16.657 295 H ILE 39 H ILE 39 0.007 10.164 -14.566 296 HA ILE 39 HA ILE 39 -1.540 10.136 -12.271 297 HB ILE 39 HB ILE 39 1.322 9.221 -12.570 298 HG12 ILE 39 2HG1 ILE 39 -1.167 7.524 -12.654 299 HG13 ILE 39 3HG1 ILE 39 -0.503 8.264 -14.106 300 HG21 ILE 39 1HG2 ILE 39 1.216 8.984 -10.345 301 HG22 ILE 39 2HG2 ILE 39 -0.536 9.181 -10.313 302 HG23 ILE 39 3HG2 ILE 39 0.168 7.609 -10.692 303 HD11 ILE 39 1HD1 ILE 39 0.282 6.024 -13.983 304 HD12 ILE 39 2HD1 ILE 39 1.641 7.090 -13.626 305 HD13 ILE 39 3HD1 ILE 39 0.819 6.243 -12.318 306 H ARG 40 H ARG 40 1.560 11.758 -12.841 307 HA ARG 40 HA ARG 40 1.923 12.722 -10.221 308 HB2 ARG 40 2HB ARG 40 2.946 13.678 -12.892 309 HB3 ARG 40 3HB ARG 40 3.408 14.438 -11.375 310 HG2 ARG 40 2HG ARG 40 3.780 11.623 -11.140 311 HG3 ARG 40 3HG ARG 40 4.551 12.185 -12.624 312 HD2 ARG 40 2HD ARG 40 4.992 13.888 -10.271 313 HD3 ARG 40 3HD ARG 40 5.690 12.272 -10.161 314 HE ARG 40 HE ARG 40 6.582 14.424 -11.820 315 HH11 ARG 40 1HH1 ARG 40 6.402 10.958 -11.541 316 HH12 ARG 40 2HH1 ARG 40 7.778 10.675 -12.555 317 HH21 ARG 40 1HH2 ARG 40 8.394 14.063 -13.157 318 HH22 ARG 40 2HH2 ARG 40 8.911 12.441 -13.473 319 H MET 41 H MET 41 0.719 14.418 -13.122 320 HA MET 41 HA MET 41 0.067 16.830 -11.952 321 HB2 MET 41 2HB MET 41 -0.006 16.372 -14.383 322 HB3 MET 41 3HB MET 41 -1.468 15.425 -14.145 323 HG2 MET 41 2HG MET 41 -1.564 18.157 -13.077 324 HG3 MET 41 3HG MET 41 -1.426 18.034 -14.829 325 HE1 MET 41 1HE MET 41 -3.444 19.500 -13.578 326 HE2 MET 41 2HE MET 41 -4.445 19.137 -14.983 327 HE3 MET 41 3HE MET 41 -5.060 18.828 -13.360 328 H ALA 42 H ALA 42 -1.807 13.842 -12.050 329 HA ALA 42 HA ALA 42 -4.203 14.859 -10.988 330 HB1 ALA 42 1HB ALA 42 -3.065 12.245 -11.547 331 HB2 ALA 42 2HB ALA 42 -4.091 12.246 -10.112 332 HB3 ALA 42 3HB ALA 42 -4.736 12.800 -11.657 333 H ASN 43 H ASN 43 -1.369 13.417 -9.416 334 HA ASN 43 HA ASN 43 -2.360 13.403 -6.797 335 HB2 ASN 43 2HB ASN 43 0.530 13.830 -7.570 336 HB3 ASN 43 3HB ASN 43 -0.087 13.110 -6.087 337 HD21 ASN 43 1HD2 ASN 43 1.726 12.110 -8.226 338 HD22 ASN 43 2HD2 ASN 43 1.042 10.602 -8.718 339 H VAL 44 H VAL 44 -0.323 15.823 -8.436 340 HA VAL 44 HA VAL 44 -0.151 17.652 -6.340 341 HB VAL 44 HB VAL 44 -0.219 18.284 -9.294 342 HG11 VAL 44 1HG1 VAL 44 1.020 20.283 -8.707 343 HG12 VAL 44 2HG1 VAL 44 -0.512 20.243 -7.830 344 HG13 VAL 44 3HG1 VAL 44 0.992 19.828 -7.004 345 HG21 VAL 44 1HG2 VAL 44 2.404 18.302 -8.199 346 HG22 VAL 44 2HG2 VAL 44 1.642 16.766 -7.786 347 HG23 VAL 44 3HG2 VAL 44 1.750 17.272 -9.472 348 H SER 45 H SER 45 -2.528 17.451 -8.974 349 HA SER 45 HA SER 45 -4.001 19.734 -8.332 350 HB2 SER 45 2HB SER 45 -4.887 17.148 -9.631 351 HB3 SER 45 3HB SER 45 -5.872 18.610 -9.567 352 HG SER 45 HG SER 45 -3.758 17.996 -11.187 353 H THR 46 H THR 46 -3.910 16.605 -6.856 354 HA THR 46 HA THR 46 -6.313 17.170 -5.279 355 HB THR 46 HB THR 46 -5.879 14.809 -4.386 356 HG1 THR 46 HG1 THR 46 -4.266 14.607 -6.719 357 HG21 THR 46 1HG2 THR 46 -6.320 14.716 -7.337 358 HG22 THR 46 2HG2 THR 46 -7.451 15.623 -6.331 359 HG23 THR 46 3HG2 THR 46 -7.197 13.902 -6.042 360 H GLY 47 H GLY 47 -3.879 18.687 -4.856 361 HA2 GLY 47 2HA GLY 47 -2.523 19.406 -3.147 362 HA3 GLY 47 3HA GLY 47 -3.792 18.799 -2.094 363 H ARG 48 H ARG 48 -2.057 16.670 -4.234 364 HA ARG 48 HA ARG 48 -0.745 15.475 -1.882 365 HB2 ARG 48 2HB ARG 48 -2.373 14.331 -3.948 366 HB3 ARG 48 3HB ARG 48 -0.762 13.631 -4.030 367 HG2 ARG 48 2HG ARG 48 -1.646 12.196 -2.534 368 HG3 ARG 48 3HG ARG 48 -1.167 13.456 -1.395 369 HD2 ARG 48 2HD ARG 48 -3.519 14.427 -1.839 370 HD3 ARG 48 3HD ARG 48 -3.887 12.828 -2.485 371 HE ARG 48 HE ARG 48 -3.556 13.547 0.274 372 HH11 ARG 48 1HH1 ARG 48 -3.357 10.955 -2.043 373 HH12 ARG 48 2HH1 ARG 48 -3.601 9.708 -0.865 374 HH21 ARG 48 1HH2 ARG 48 -3.876 11.914 1.835 375 HH22 ARG 48 2HH2 ARG 48 -3.896 10.255 1.340 376 H GLU 49 H GLU 49 1.347 14.466 -2.242 377 HA GLU 49 HA GLU 49 3.216 16.129 -3.404 378 HB2 GLU 49 2HB GLU 49 3.204 13.426 -2.285 379 HB3 GLU 49 3HB GLU 49 4.441 13.660 -3.512 380 HG2 GLU 49 2HG GLU 49 5.720 14.631 -1.999 381 HG3 GLU 49 3HG GLU 49 4.531 15.923 -1.848 382 HA PRO 50 HA PRO 50 3.309 15.359 -7.721 383 HB2 PRO 50 2HB PRO 50 5.968 15.379 -8.264 384 HB3 PRO 50 3HB PRO 50 5.061 16.839 -7.852 385 HG2 PRO 50 2HG PRO 50 6.801 15.135 -6.111 386 HG3 PRO 50 3HG PRO 50 6.702 16.904 -6.206 387 HD2 PRO 50 2HD PRO 50 5.486 15.480 -4.250 388 HD3 PRO 50 3HD PRO 50 4.814 16.995 -4.887 389 H GLY 51 H GLY 51 5.829 13.448 -6.057 390 HA2 GLY 51 2HA GLY 51 5.584 11.334 -8.041 391 HA3 GLY 51 3HA GLY 51 6.726 11.387 -6.705 392 H ASP 52 H ASP 52 3.190 11.249 -7.167 393 HA ASP 52 HA ASP 52 3.037 9.416 -4.882 394 HB2 ASP 52 2HB ASP 52 1.465 11.605 -5.645 395 HB3 ASP 52 3HB ASP 52 0.474 10.189 -5.980 396 H ILE 53 H ILE 53 3.119 7.334 -5.387 397 HA ILE 53 HA ILE 53 1.829 6.439 -7.882 398 HB ILE 53 HB ILE 53 4.058 5.086 -6.355 399 HG12 ILE 53 2HG1 ILE 53 4.754 7.168 -7.511 400 HG13 ILE 53 3HG1 ILE 53 5.494 5.731 -8.207 401 HG21 ILE 53 1HG2 ILE 53 2.897 3.362 -7.393 402 HG22 ILE 53 2HG2 ILE 53 2.498 4.346 -8.800 403 HG23 ILE 53 3HG2 ILE 53 4.147 3.765 -8.571 404 HD11 ILE 53 1HD1 ILE 53 3.070 6.236 -9.589 405 HD12 ILE 53 2HD1 ILE 53 3.990 7.739 -9.499 406 HD13 ILE 53 3HD1 ILE 53 4.725 6.294 -10.195 407 HA PRO 54 HA PRO 54 -0.665 4.700 -4.379 408 HB2 PRO 54 2HB PRO 54 -3.068 5.197 -5.543 409 HB3 PRO 54 3HB PRO 54 -2.213 6.388 -4.557 410 HG2 PRO 54 2HG PRO 54 -2.340 6.137 -7.537 411 HG3 PRO 54 3HG PRO 54 -2.452 7.593 -6.531 412 HD2 PRO 54 2HD PRO 54 -0.176 6.881 -7.814 413 HD3 PRO 54 3HD PRO 54 -0.167 7.732 -6.257 414 H GLU 55 H GLU 55 -1.151 2.592 -4.325 415 HA GLU 55 HA GLU 55 -1.831 1.246 -6.855 416 HB2 GLU 55 2HB GLU 55 0.523 0.838 -5.808 417 HB3 GLU 55 3HB GLU 55 -0.353 -0.164 -4.660 418 HG2 GLU 55 2HG GLU 55 0.137 -1.759 -6.176 419 HG3 GLU 55 3HG GLU 55 -1.356 -1.172 -6.905 420 H THR 56 H THR 56 -3.788 2.250 -5.199 421 HA THR 56 HA THR 56 -5.097 -0.217 -4.349 422 HB THR 56 HB THR 56 -5.763 0.586 -2.210 423 HG1 THR 56 HG1 THR 56 -5.210 2.694 -1.508 424 HG21 THR 56 1HG2 THR 56 -3.440 -0.325 -2.405 425 HG22 THR 56 2HG2 THR 56 -3.678 0.761 -1.036 426 HG23 THR 56 3HG2 THR 56 -2.853 1.334 -2.485 427 H LEU 57 H LEU 57 -7.211 -0.263 -4.857 428 HA LEU 57 HA LEU 57 -8.357 1.537 -6.606 429 HB2 LEU 57 2HB LEU 57 -9.068 -0.868 -5.619 430 HB3 LEU 57 3HB LEU 57 -10.221 0.165 -4.778 431 HG LEU 57 HG LEU 57 -9.987 0.524 -7.711 432 HD11 LEU 57 1HD1 LEU 57 -11.382 -1.852 -6.488 433 HD12 LEU 57 2HD1 LEU 57 -9.917 -1.916 -7.467 434 HD13 LEU 57 3HD1 LEU 57 -11.432 -1.365 -8.183 435 HD21 LEU 57 1HD2 LEU 57 -12.272 1.057 -7.552 436 HD22 LEU 57 2HD2 LEU 57 -11.528 1.773 -6.121 437 HD23 LEU 57 3HD2 LEU 57 -12.433 0.265 -5.984 438 H ASP 58 H ASP 58 -8.249 1.618 -3.124 439 HA ASP 58 HA ASP 58 -10.291 3.557 -2.748 440 HB2 ASP 58 2HB ASP 58 -7.978 2.673 -1.021 441 HB3 ASP 58 3HB ASP 58 -9.155 3.875 -0.499 442 H GLN 59 H GLN 59 -6.815 3.734 -3.277 443 HA GLN 59 HA GLN 59 -6.669 6.564 -2.830 444 HB2 GLN 59 2HB GLN 59 -4.791 4.429 -3.705 445 HB3 GLN 59 3HB GLN 59 -4.393 6.086 -4.141 446 HG2 GLN 59 2HG GLN 59 -3.805 6.620 -2.057 447 HG3 GLN 59 3HG GLN 59 -5.175 5.765 -1.349 448 HE21 GLN 59 1HE2 GLN 59 -2.110 5.097 -3.003 449 HE22 GLN 59 2HE2 GLN 59 -1.674 3.747 -2.016 450 H LEU 60 H LEU 60 -6.529 4.483 -5.714 451 HA LEU 60 HA LEU 60 -6.286 6.510 -7.617 452 HB2 LEU 60 2HB LEU 60 -7.313 3.711 -7.665 453 HB3 LEU 60 3HB LEU 60 -7.550 4.736 -9.078 454 HG LEU 60 HG LEU 60 -5.578 3.277 -9.276 455 HD11 LEU 60 1HD1 LEU 60 -4.276 4.853 -10.313 456 HD12 LEU 60 2HD1 LEU 60 -4.501 6.043 -9.032 457 HD13 LEU 60 3HD1 LEU 60 -5.803 5.725 -10.176 458 HD21 LEU 60 1HD2 LEU 60 -3.661 3.545 -7.888 459 HD22 LEU 60 2HD2 LEU 60 -5.047 3.293 -6.828 460 HD23 LEU 60 3HD2 LEU 60 -4.387 4.915 -7.047 461 H ARG 61 H ARG 61 -9.169 5.042 -6.184 462 HA ARG 61 HA ARG 61 -11.029 6.474 -7.788 463 HB2 ARG 61 2HB ARG 61 -11.729 4.431 -6.734 464 HB3 ARG 61 3HB ARG 61 -11.320 5.052 -5.141 465 HG2 ARG 61 2HG ARG 61 -13.254 6.696 -6.587 466 HG3 ARG 61 3HG ARG 61 -13.808 5.055 -6.249 467 HD2 ARG 61 2HD ARG 61 -12.553 6.764 -4.125 468 HD3 ARG 61 3HD ARG 61 -14.272 6.872 -4.498 469 HE ARG 61 HE ARG 61 -12.959 4.800 -3.038 470 HH11 ARG 61 1HH1 ARG 61 -15.637 5.484 -5.155 471 HH12 ARG 61 2HH1 ARG 61 -16.600 4.164 -4.577 472 HH21 ARG 61 1HH2 ARG 61 -14.217 3.059 -2.269 473 HH22 ARG 61 2HH2 ARG 61 -15.791 2.786 -2.935 474 H LEU 62 H LEU 62 -9.819 6.940 -4.478 475 HA LEU 62 HA LEU 62 -11.325 9.141 -3.752 476 HB2 LEU 62 2HB LEU 62 -9.997 8.116 -2.103 477 HB3 LEU 62 3HB LEU 62 -8.526 8.311 -3.053 478 HG LEU 62 HG LEU 62 -8.700 10.776 -2.675 479 HD11 LEU 62 1HD1 LEU 62 -10.130 11.437 -0.706 480 HD12 LEU 62 2HD1 LEU 62 -10.960 9.893 -0.897 481 HD13 LEU 62 3HD1 LEU 62 -10.997 11.080 -2.201 482 HD21 LEU 62 1HD2 LEU 62 -7.149 10.148 -1.198 483 HD22 LEU 62 2HD2 LEU 62 -8.049 8.702 -0.738 484 HD23 LEU 62 3HD2 LEU 62 -8.426 10.252 0.014 485 H VAL 63 H VAL 63 -8.322 9.019 -5.613 486 HA VAL 63 HA VAL 63 -7.953 11.823 -5.789 487 HB VAL 63 HB VAL 63 -6.960 9.672 -7.665 488 HG11 VAL 63 1HG1 VAL 63 -5.960 12.485 -7.229 489 HG12 VAL 63 2HG1 VAL 63 -5.266 11.285 -8.323 490 HG13 VAL 63 3HG1 VAL 63 -6.879 11.930 -8.627 491 HG21 VAL 63 1HG2 VAL 63 -6.334 10.129 -4.968 492 HG22 VAL 63 2HG2 VAL 63 -5.486 9.084 -6.109 493 HG23 VAL 63 3HG2 VAL 63 -4.977 10.760 -5.900 494 H ILE 64 H ILE 64 -9.182 9.475 -8.177 495 HA ILE 64 HA ILE 64 -9.849 11.226 -10.200 496 HB ILE 64 HB ILE 64 -11.359 8.742 -9.381 497 HG12 ILE 64 2HG1 ILE 64 -9.406 8.888 -11.644 498 HG13 ILE 64 3HG1 ILE 64 -8.798 8.728 -10.000 499 HG21 ILE 64 1HG2 ILE 64 -12.100 8.700 -11.741 500 HG22 ILE 64 2HG2 ILE 64 -12.714 10.091 -10.848 501 HG23 ILE 64 3HG2 ILE 64 -11.367 10.287 -11.969 502 HD11 ILE 64 1HD1 ILE 64 -10.480 6.749 -9.869 503 HD12 ILE 64 2HD1 ILE 64 -10.384 6.807 -11.629 504 HD13 ILE 64 3HD1 ILE 64 -8.925 6.542 -10.674 505 H CYS 65 H CYS 65 -11.514 10.605 -7.197 506 HA CYS 65 HA CYS 65 -13.974 11.845 -7.921 507 HB2 CYS 65 2HB CYS 65 -13.925 10.262 -6.093 508 HB3 CYS 65 3HB CYS 65 -12.755 11.244 -5.221 509 HG CYS 65 HG CYS 65 -16.092 11.654 -5.523 510 H ASP 66 H ASP 66 -11.418 12.929 -5.677 511 HA ASP 66 HA ASP 66 -12.344 15.537 -5.363 512 HB2 ASP 66 2HB ASP 66 -9.552 14.400 -5.172 513 HB3 ASP 66 3HB ASP 66 -9.951 16.056 -4.723 514 H LEU 67 H LEU 67 -9.953 14.260 -7.660 515 HA LEU 67 HA LEU 67 -9.294 16.681 -8.893 516 HB2 LEU 67 2HB LEU 67 -8.506 14.086 -9.152 517 HB3 LEU 67 3HB LEU 67 -9.382 14.340 -10.660 518 HG LEU 67 HG LEU 67 -6.990 15.894 -9.674 519 HD11 LEU 67 1HD1 LEU 67 -6.157 14.953 -11.956 520 HD12 LEU 67 2HD1 LEU 67 -7.413 13.744 -11.699 521 HD13 LEU 67 3HD1 LEU 67 -6.121 13.937 -10.515 522 HD21 LEU 67 1HD2 LEU 67 -8.984 16.434 -11.793 523 HD22 LEU 67 2HD2 LEU 67 -7.289 16.688 -12.210 524 HD23 LEU 67 3HD2 LEU 67 -8.001 17.550 -10.846 525 H GLN 68 H GLN 68 -11.884 14.375 -9.563 526 HA GLN 68 HA GLN 68 -12.819 15.456 -11.956 527 HB2 GLN 68 2HB GLN 68 -13.914 13.719 -9.838 528 HB3 GLN 68 3HB GLN 68 -15.113 14.563 -10.809 529 HG2 GLN 68 2HG GLN 68 -13.006 13.334 -12.399 530 HG3 GLN 68 3HG GLN 68 -13.923 12.178 -11.433 531 HE21 GLN 68 1HE2 GLN 68 -14.511 15.031 -13.464 532 HE22 GLN 68 2HE2 GLN 68 -15.880 14.375 -14.287 533 H GLU 69 H GLU 69 -13.797 16.191 -8.618 534 HA GLU 69 HA GLU 69 -15.763 18.079 -9.204 535 HB2 GLU 69 2HB GLU 69 -14.204 17.287 -6.864 536 HB3 GLU 69 3HB GLU 69 -14.637 18.991 -6.851 537 HG2 GLU 69 2HG GLU 69 -16.671 16.850 -7.359 538 HG3 GLU 69 3HG GLU 69 -16.227 17.350 -5.728 539 H ARG 70 H ARG 70 -12.298 18.554 -8.566 540 HA ARG 70 HA ARG 70 -12.314 21.356 -8.861 541 HB2 ARG 70 2HB ARG 70 -10.427 19.395 -8.228 542 HB3 ARG 70 3HB ARG 70 -9.814 20.145 -9.696 543 HG2 ARG 70 2HG ARG 70 -10.498 22.335 -8.272 544 HG3 ARG 70 3HG ARG 70 -10.049 21.224 -6.976 545 HD2 ARG 70 2HD ARG 70 -7.927 20.773 -8.261 546 HD3 ARG 70 3HD ARG 70 -8.371 22.119 -9.310 547 HE ARG 70 HE ARG 70 -8.383 22.845 -6.548 548 HH11 ARG 70 1HH1 ARG 70 -6.334 22.349 -9.319 549 HH12 ARG 70 2HH1 ARG 70 -5.097 23.426 -8.759 550 HH21 ARG 70 1HH2 ARG 70 -6.761 24.265 -5.801 551 HH22 ARG 70 2HH2 ARG 70 -5.340 24.515 -6.758 552 H ARG 71 H ARG 71 -11.930 18.727 -11.165 553 HA ARG 71 HA ARG 71 -11.010 20.174 -13.366 554 HB2 ARG 71 2HB ARG 71 -10.998 17.787 -13.454 555 HB3 ARG 71 3HB ARG 71 -12.735 17.706 -13.189 556 HG2 ARG 71 2HG ARG 71 -13.168 18.615 -15.368 557 HG3 ARG 71 3HG ARG 71 -11.446 18.899 -15.633 558 HD2 ARG 71 2HD ARG 71 -11.110 16.795 -16.291 559 HD3 ARG 71 3HD ARG 71 -11.998 16.147 -14.912 560 HE ARG 71 HE ARG 71 -13.765 15.811 -16.304 561 HH11 ARG 71 1HH1 ARG 71 -11.746 18.293 -17.675 562 HH12 ARG 71 2HH1 ARG 71 -12.684 18.440 -19.123 563 HH21 ARG 71 1HH2 ARG 71 -15.010 15.994 -18.207 564 HH22 ARG 71 2HH2 ARG 71 -14.541 17.132 -19.425 565 H GLU 72 H GLU 72 -14.350 19.428 -12.391 566 HA GLU 72 HA GLU 72 -15.613 20.750 -14.522 567 HB2 GLU 72 2HB GLU 72 -16.541 20.080 -11.733 568 HB3 GLU 72 3HB GLU 72 -17.591 20.838 -12.921 569 HG2 GLU 72 2HG GLU 72 -17.085 18.887 -14.435 570 HG3 GLU 72 3HG GLU 72 -16.331 18.116 -13.040 571 H LYS 73 H LYS 73 -14.982 21.857 -11.195 572 HA LYS 73 HA LYS 73 -16.014 24.440 -11.487 573 HB2 LYS 73 2HB LYS 73 -13.934 23.264 -9.659 574 HB3 LYS 73 3HB LYS 73 -14.354 24.969 -9.582 575 HG2 LYS 73 2HG LYS 73 -16.668 24.395 -9.100 576 HG3 LYS 73 3HG LYS 73 -16.275 22.678 -9.217 577 HD2 LYS 73 2HD LYS 73 -15.085 22.680 -7.237 578 HD3 LYS 73 3HD LYS 73 -14.754 24.412 -7.318 579 HE2 LYS 73 2HE LYS 73 -17.561 24.094 -7.199 580 HE3 LYS 73 3HE LYS 73 -16.864 23.046 -5.964 581 HZ1 LYS 73 1HZ LYS 73 -16.000 25.855 -6.239 582 HZ2 LYS 73 2HZ LYS 73 -15.871 24.835 -4.896 583 HZ3 LYS 73 3HZ LYS 73 -17.380 25.453 -5.345 584 H PHE 74 H PHE 74 -13.029 23.054 -12.555 585 HA PHE 74 HA PHE 74 -11.779 25.631 -13.027 586 HB2 PHE 74 2HB PHE 74 -10.408 23.717 -12.299 587 HB3 PHE 74 3HB PHE 74 -10.852 22.846 -13.762 588 HD1 PHE 74 HD1 PHE 74 -9.373 22.880 -15.512 589 HD2 PHE 74 HD2 PHE 74 -9.383 26.126 -12.759 590 HE1 PHE 74 HE1 PHE 74 -7.459 23.881 -16.691 591 HE2 PHE 74 HE2 PHE 74 -7.469 27.132 -13.933 592 HZ PHE 74 HZ PHE 74 -6.505 26.011 -15.901 593 H GLY 75 H GLY 75 -13.635 23.266 -14.748 594 HA2 GLY 75 2HA GLY 75 -14.805 24.046 -16.742 595 HA3 GLY 75 3HA GLY 75 -13.330 24.888 -17.196 596 H SER 76 H SER 76 -13.845 23.676 -19.240 597 HA SER 76 HA SER 76 -13.039 20.863 -19.146 598 HB2 SER 76 2HB SER 76 -14.936 22.268 -20.673 599 HB3 SER 76 3HB SER 76 -13.653 21.831 -21.800 600 HG SER 76 HG SER 76 -14.895 20.009 -20.015 601 H SER 77 H SER 77 -11.397 20.042 -20.526 602 HA SER 77 HA SER 77 -9.752 21.572 -22.187 603 HB2 SER 77 2HB SER 77 -8.565 22.767 -20.692 604 HB3 SER 77 3HB SER 77 -9.172 21.820 -19.335 605 HG SER 77 HG SER 77 -6.819 21.719 -19.877 606 H LYS 78 H LYS 78 -8.679 20.187 -23.437 607 HA LYS 78 HA LYS 78 -8.868 17.431 -23.177 608 HB2 LYS 78 2HB LYS 78 -8.264 18.824 -25.241 609 HB3 LYS 78 3HB LYS 78 -6.612 18.790 -24.639 610 HG2 LYS 78 2HG LYS 78 -7.170 16.171 -24.545 611 HG3 LYS 78 3HG LYS 78 -8.229 16.655 -25.872 612 HD2 LYS 78 2HD LYS 78 -5.401 17.604 -25.854 613 HD3 LYS 78 3HD LYS 78 -5.742 15.938 -26.324 614 HE2 LYS 78 2HE LYS 78 -7.527 17.858 -27.589 615 HE3 LYS 78 3HE LYS 78 -5.832 18.153 -27.969 616 HZ1 LYS 78 1HZ LYS 78 -5.661 15.791 -28.616 617 HZ2 LYS 78 2HZ LYS 78 -6.743 16.664 -29.580 618 HZ3 LYS 78 3HZ LYS 78 -7.328 15.623 -28.383 619 H GLU 79 H GLU 79 -6.575 19.641 -21.806 620 HA GLU 79 HA GLU 79 -4.532 17.755 -21.218 621 HB2 GLU 79 2HB GLU 79 -3.961 20.078 -21.248 622 HB3 GLU 79 3HB GLU 79 -5.197 20.461 -20.057 623 HG2 GLU 79 2HG GLU 79 -3.391 18.500 -19.001 624 HG3 GLU 79 3HG GLU 79 -2.494 19.891 -19.609 625 H ILE 80 H ILE 80 -6.831 19.374 -19.018 626 HA ILE 80 HA ILE 80 -6.333 17.707 -16.821 627 HB ILE 80 HB ILE 80 -7.435 19.848 -16.538 628 HG12 ILE 80 2HG1 ILE 80 -9.638 18.049 -15.715 629 HG13 ILE 80 3HG1 ILE 80 -8.027 17.590 -15.173 630 HG21 ILE 80 1HG2 ILE 80 -8.710 19.757 -18.674 631 HG22 ILE 80 2HG2 ILE 80 -9.842 18.650 -17.898 632 HG23 ILE 80 3HG2 ILE 80 -9.665 20.298 -17.293 633 HD11 ILE 80 1HD1 ILE 80 -9.282 20.284 -14.713 634 HD12 ILE 80 2HD1 ILE 80 -9.258 18.964 -13.543 635 HD13 ILE 80 3HD1 ILE 80 -7.746 19.703 -14.069 636 H ASP 81 H ASP 81 -8.650 17.454 -19.462 637 HA ASP 81 HA ASP 81 -10.224 15.372 -18.450 638 HB2 ASP 81 2HB ASP 81 -10.497 16.852 -20.592 639 HB3 ASP 81 3HB ASP 81 -9.595 15.558 -21.375 640 H MET 82 H MET 82 -7.271 15.282 -20.416 641 HA MET 82 HA MET 82 -7.160 12.492 -20.738 642 HB2 MET 82 2HB MET 82 -5.822 14.258 -21.985 643 HB3 MET 82 3HB MET 82 -4.765 14.319 -20.581 644 HG2 MET 82 2HG MET 82 -3.655 12.533 -21.259 645 HG3 MET 82 3HG MET 82 -5.142 11.601 -21.411 646 HE1 MET 82 1HE MET 82 -2.466 13.571 -22.737 647 HE2 MET 82 2HE MET 82 -2.158 12.302 -23.920 648 HE3 MET 82 3HE MET 82 -2.751 13.876 -24.451 649 H ALA 83 H ALA 83 -5.761 14.625 -18.278 650 HA ALA 83 HA ALA 83 -4.249 12.766 -16.876 651 HB1 ALA 83 1HB ALA 83 -4.640 14.276 -14.895 652 HB2 ALA 83 2HB ALA 83 -4.005 15.061 -16.342 653 HB3 ALA 83 3HB ALA 83 -5.712 15.219 -15.931 654 H ILE 84 H ILE 84 -7.674 13.612 -16.487 655 HA ILE 84 HA ILE 84 -8.186 11.942 -14.283 656 HB ILE 84 HB ILE 84 -10.087 12.872 -16.438 657 HG12 ILE 84 2HG1 ILE 84 -8.955 14.687 -15.183 658 HG13 ILE 84 3HG1 ILE 84 -10.688 14.636 -14.876 659 HG21 ILE 84 1HG2 ILE 84 -11.685 12.532 -14.354 660 HG22 ILE 84 2HG2 ILE 84 -11.329 11.222 -15.477 661 HG23 ILE 84 3HG2 ILE 84 -10.475 11.319 -13.938 662 HD11 ILE 84 1HD1 ILE 84 -9.269 13.032 -12.959 663 HD12 ILE 84 2HD1 ILE 84 -8.637 14.678 -13.000 664 HD13 ILE 84 3HD1 ILE 84 -10.353 14.399 -12.704 665 H VAL 85 H VAL 85 -8.879 11.412 -17.742 666 HA VAL 85 HA VAL 85 -9.879 8.847 -17.597 667 HB VAL 85 HB VAL 85 -8.125 9.986 -19.779 668 HG11 VAL 85 1HG1 VAL 85 -9.635 8.300 -21.115 669 HG12 VAL 85 2HG1 VAL 85 -8.157 7.756 -20.317 670 HG13 VAL 85 3HG1 VAL 85 -9.725 7.483 -19.555 671 HG21 VAL 85 1HG2 VAL 85 -10.793 10.604 -18.928 672 HG22 VAL 85 2HG2 VAL 85 -9.834 11.337 -20.214 673 HG23 VAL 85 3HG2 VAL 85 -10.824 9.916 -20.552 674 H THR 86 H THR 86 -6.537 9.919 -17.516 675 HA THR 86 HA THR 86 -5.335 7.381 -17.859 676 HB THR 86 HB THR 86 -4.260 9.854 -16.490 677 HG1 THR 86 HG1 THR 86 -3.222 10.149 -18.515 678 HG21 THR 86 1HG2 THR 86 -3.124 7.170 -16.927 679 HG22 THR 86 2HG2 THR 86 -2.697 8.403 -15.742 680 HG23 THR 86 3HG2 THR 86 -2.084 8.516 -17.392 681 H LEU 87 H LEU 87 -6.099 9.274 -14.947 682 HA LEU 87 HA LEU 87 -5.078 7.502 -13.053 683 HB2 LEU 87 2HB LEU 87 -6.741 9.837 -13.083 684 HB3 LEU 87 3HB LEU 87 -7.399 8.656 -11.953 685 HG LEU 87 HG LEU 87 -5.862 10.346 -10.938 686 HD11 LEU 87 1HD1 LEU 87 -5.054 8.855 -9.398 687 HD12 LEU 87 2HD1 LEU 87 -4.593 7.670 -10.619 688 HD13 LEU 87 3HD1 LEU 87 -6.290 7.872 -10.185 689 HD21 LEU 87 1HD2 LEU 87 -4.294 10.431 -12.870 690 HD22 LEU 87 2HD2 LEU 87 -3.711 8.831 -12.409 691 HD23 LEU 87 3HD2 LEU 87 -3.500 10.197 -11.313 692 H LYS 88 H LYS 88 -8.149 7.517 -14.753 693 HA LYS 88 HA LYS 88 -9.301 5.420 -13.163 694 HB2 LYS 88 2HB LYS 88 -10.145 6.532 -15.846 695 HB3 LYS 88 3HB LYS 88 -11.100 5.442 -14.849 696 HG2 LYS 88 2HG LYS 88 -11.801 7.087 -13.506 697 HG3 LYS 88 3HG LYS 88 -10.218 7.867 -13.469 698 HD2 LYS 88 2HD LYS 88 -10.781 9.312 -15.083 699 HD3 LYS 88 3HD LYS 88 -11.511 8.047 -16.074 700 HE2 LYS 88 2HE LYS 88 -13.472 8.136 -14.453 701 HE3 LYS 88 3HE LYS 88 -12.760 9.629 -13.842 702 HZ1 LYS 88 1HZ LYS 88 -14.127 10.470 -15.428 703 HZ2 LYS 88 2HZ LYS 88 -14.041 9.099 -16.415 704 HZ3 LYS 88 3HZ LYS 88 -12.763 10.206 -16.393 705 H VAL 89 H VAL 89 -8.320 5.582 -16.593 706 HA VAL 89 HA VAL 89 -8.547 2.897 -17.200 707 HB VAL 89 HB VAL 89 -6.493 4.839 -18.266 708 HG11 VAL 89 1HG1 VAL 89 -5.667 3.152 -19.447 709 HG12 VAL 89 2HG1 VAL 89 -6.836 2.043 -18.726 710 HG13 VAL 89 3HG1 VAL 89 -7.245 2.925 -20.199 711 HG21 VAL 89 1HG2 VAL 89 -9.173 5.105 -18.425 712 HG22 VAL 89 2HG2 VAL 89 -8.055 5.672 -19.667 713 HG23 VAL 89 3HG2 VAL 89 -8.867 4.117 -19.853 714 H PHE 90 H PHE 90 -5.810 4.615 -15.759 715 HA PHE 90 HA PHE 90 -4.049 2.389 -15.753 716 HB2 PHE 90 2HB PHE 90 -3.485 4.893 -15.501 717 HB3 PHE 90 3HB PHE 90 -3.895 4.676 -13.803 718 HD1 PHE 90 HD1 PHE 90 -1.559 3.727 -16.475 719 HD2 PHE 90 HD2 PHE 90 -2.441 3.509 -12.317 720 HE1 PHE 90 HE1 PHE 90 0.717 2.901 -16.039 721 HE2 PHE 90 HE2 PHE 90 -0.167 2.683 -11.874 722 HZ PHE 90 HZ PHE 90 1.416 2.378 -13.737 723 H ALA 91 H ALA 91 -6.151 3.816 -13.273 724 HA ALA 91 HA ALA 91 -5.487 2.209 -11.122 725 HB1 ALA 91 1HB ALA 91 -6.940 4.134 -10.898 726 HB2 ALA 91 2HB ALA 91 -8.195 3.326 -11.839 727 HB3 ALA 91 3HB ALA 91 -7.737 2.699 -10.256 728 H VAL 92 H VAL 92 -7.799 1.579 -13.730 729 HA VAL 92 HA VAL 92 -8.558 -0.983 -12.646 730 HB VAL 92 HB VAL 92 -9.864 -1.250 -14.713 731 HG11 VAL 92 1HG1 VAL 92 -10.688 1.456 -14.175 732 HG12 VAL 92 2HG1 VAL 92 -11.479 -0.063 -13.752 733 HG13 VAL 92 3HG1 VAL 92 -10.258 0.624 -12.681 734 HG21 VAL 92 1HG2 VAL 92 -8.583 1.367 -15.490 735 HG22 VAL 92 2HG2 VAL 92 -8.403 -0.187 -16.304 736 HG23 VAL 92 3HG2 VAL 92 -9.961 0.641 -16.319 737 H ALA 93 H ALA 93 -6.415 0.229 -15.156 738 HA ALA 93 HA ALA 93 -5.852 -2.241 -16.399 739 HB1 ALA 93 1HB ALA 93 -4.298 0.332 -16.249 740 HB2 ALA 93 2HB ALA 93 -3.783 -1.056 -17.208 741 HB3 ALA 93 3HB ALA 93 -5.310 -0.251 -17.570 742 H GLY 94 H GLY 94 -4.938 -0.969 -13.368 743 HA2 GLY 94 2HA GLY 94 -2.683 -2.860 -13.170 744 HA3 GLY 94 3HA GLY 94 -2.910 -1.452 -12.143 745 H LEU 95 H LEU 95 -5.071 -1.520 -10.888 746 HA LEU 95 HA LEU 95 -4.975 -3.652 -9.095 747 HB2 LEU 95 2HB LEU 95 -7.045 -1.567 -9.684 748 HB3 LEU 95 3HB LEU 95 -7.334 -2.814 -8.473 749 HG LEU 95 HG LEU 95 -6.597 -0.799 -7.388 750 HD11 LEU 95 1HD1 LEU 95 -4.071 -2.237 -7.137 751 HD12 LEU 95 2HD1 LEU 95 -5.490 -3.276 -7.014 752 HD13 LEU 95 3HD1 LEU 95 -5.311 -1.897 -5.930 753 HD21 LEU 95 1HD2 LEU 95 -4.082 -0.966 -9.041 754 HD22 LEU 95 2HD2 LEU 95 -4.505 0.273 -7.860 755 HD23 LEU 95 3HD2 LEU 95 -5.415 0.143 -9.366 756 H LEU 96 H LEU 96 -6.893 -3.190 -11.997 757 HA LEU 96 HA LEU 96 -8.220 -5.769 -11.544 758 HB2 LEU 96 2HB LEU 96 -9.050 -3.281 -12.677 759 HB3 LEU 96 3HB LEU 96 -9.174 -4.541 -13.902 760 HG LEU 96 HG LEU 96 -11.281 -4.177 -12.681 761 HD11 LEU 96 1HD1 LEU 96 -9.844 -6.759 -12.739 762 HD12 LEU 96 2HD1 LEU 96 -11.363 -6.284 -13.499 763 HD13 LEU 96 3HD1 LEU 96 -11.325 -6.694 -11.784 764 HD21 LEU 96 1HD2 LEU 96 -10.413 -5.527 -10.249 765 HD22 LEU 96 2HD2 LEU 96 -11.440 -4.108 -10.454 766 HD23 LEU 96 3HD2 LEU 96 -9.684 -3.934 -10.461 767 H ASN 97 H ASN 97 -5.559 -4.526 -13.060 768 HA ASN 97 HA ASN 97 -4.184 -5.211 -14.744 769 HB2 ASN 97 2HB ASN 97 -5.414 -7.942 -14.418 770 HB3 ASN 97 3HB ASN 97 -3.753 -7.533 -14.836 771 HD21 ASN 97 1HD2 ASN 97 -2.328 -6.910 -13.227 772 HD22 ASN 97 2HD2 ASN 97 -2.660 -7.164 -11.551 773 H MET 98 H MET 98 -6.846 -4.266 -15.494 774 HA MET 98 HA MET 98 -7.624 -5.888 -17.766 775 HB2 MET 98 2HB MET 98 -8.677 -3.384 -16.496 776 HB3 MET 98 3HB MET 98 -9.197 -3.836 -18.114 777 HG2 MET 98 2HG MET 98 -9.355 -5.840 -15.916 778 HG3 MET 98 3HG MET 98 -10.566 -4.563 -16.018 779 HE1 MET 98 1HE MET 98 -9.466 -7.852 -18.808 780 HE2 MET 98 2HE MET 98 -8.981 -7.538 -17.141 781 HE3 MET 98 3HE MET 98 -10.467 -8.428 -17.475 782 H THR 99 H THR 99 -6.225 -5.821 -19.424 783 HA THR 99 HA THR 99 -4.579 -3.643 -20.098 784 HB THR 99 HB THR 99 -4.018 -5.874 -20.852 785 HG1 THR 99 HG1 THR 99 -3.089 -4.662 -22.336 786 HG21 THR 99 1HG2 THR 99 -6.534 -5.691 -22.513 787 HG22 THR 99 2HG2 THR 99 -6.232 -6.799 -21.174 788 HG23 THR 99 3HG2 THR 99 -5.313 -6.952 -22.671 789 H VAL 100 H VAL 100 -7.890 -4.300 -20.770 790 HA VAL 100 HA VAL 100 -9.443 -3.325 -22.147 791 HB VAL 100 HB VAL 100 -9.601 -0.942 -21.942 792 HG11 VAL 100 1HG1 VAL 100 -8.435 -1.164 -19.333 793 HG12 VAL 100 2HG1 VAL 100 -10.138 -1.150 -19.797 794 HG13 VAL 100 3HG1 VAL 100 -9.246 -2.671 -19.757 795 HG21 VAL 100 1HG2 VAL 100 -7.838 0.496 -21.302 796 HG22 VAL 100 2HG2 VAL 100 -6.800 -0.856 -20.848 797 HG23 VAL 100 3HG2 VAL 100 -7.171 -0.561 -22.546 798 H SER 101 H SER 101 -9.364 -1.088 -23.784 799 HA SER 101 HA SER 101 -7.340 -1.788 -25.804 800 HB2 SER 101 2HB SER 101 -10.142 -0.980 -26.554 801 HB3 SER 101 3HB SER 101 -8.925 -1.782 -27.547 802 HG SER 101 HG SER 101 -10.193 -2.927 -25.278 803 H THR 102 H THR 102 -9.701 0.650 -24.763 804 HA THR 102 HA THR 102 -7.804 2.729 -25.617 805 HB THR 102 HB THR 102 -9.526 4.112 -26.498 806 HG1 THR 102 HG1 THR 102 -11.571 3.877 -25.957 807 HG21 THR 102 1HG2 THR 102 -9.960 1.273 -27.432 808 HG22 THR 102 2HG2 THR 102 -8.770 2.415 -28.057 809 HG23 THR 102 3HG2 THR 102 -10.491 2.715 -28.295 810 H ALA 103 H ALA 103 -8.051 4.779 -24.497 811 HA ALA 103 HA ALA 103 -8.256 4.496 -21.719 812 HB1 ALA 103 1HB ALA 103 -7.383 6.460 -23.476 813 HB2 ALA 103 2HB ALA 103 -8.693 7.223 -22.574 814 HB3 ALA 103 3HB ALA 103 -7.325 6.516 -21.714 815 H ALA 104 H ALA 104 -10.599 5.533 -24.125 816 HA ALA 104 HA ALA 104 -12.541 6.499 -22.288 817 HB1 ALA 104 1HB ALA 104 -12.240 6.615 -24.994 818 HB2 ALA 104 2HB ALA 104 -13.565 5.463 -24.827 819 HB3 ALA 104 3HB ALA 104 -13.701 7.072 -24.118 820 H ALA 105 H ALA 105 -11.877 3.358 -23.718 821 HA ALA 105 HA ALA 105 -14.286 2.097 -22.922 822 HB1 ALA 105 1HB ALA 105 -11.626 1.166 -23.878 823 HB2 ALA 105 2HB ALA 105 -12.719 -0.004 -23.137 824 HB3 ALA 105 3HB ALA 105 -13.229 0.901 -24.562 825 H ALA 106 H ALA 106 -11.021 2.087 -21.496 826 HA ALA 106 HA ALA 106 -11.701 0.523 -19.246 827 HB1 ALA 106 1HB ALA 106 -9.531 0.707 -18.691 828 HB2 ALA 106 2HB ALA 106 -9.371 1.412 -20.301 829 HB3 ALA 106 3HB ALA 106 -9.521 2.459 -18.889 830 H GLU 107 H GLU 107 -11.738 3.992 -19.846 831 HA GLU 107 HA GLU 107 -12.243 4.733 -17.138 832 HB2 GLU 107 2HB GLU 107 -11.261 6.369 -18.578 833 HB3 GLU 107 3HB GLU 107 -12.560 6.204 -19.751 834 HG2 GLU 107 2HG GLU 107 -13.396 7.007 -17.051 835 HG3 GLU 107 3HG GLU 107 -12.402 8.175 -17.921 836 H ASN 108 H ASN 108 -14.289 4.326 -20.007 837 HA ASN 108 HA ASN 108 -16.712 5.142 -18.904 838 HB2 ASN 108 2HB ASN 108 -15.936 3.341 -21.157 839 HB3 ASN 108 3HB ASN 108 -17.617 3.344 -20.631 840 HD21 ASN 108 1HD2 ASN 108 -18.137 5.889 -20.036 841 HD22 ASN 108 2HD2 ASN 108 -17.933 6.907 -21.417 842 H MET 109 H MET 109 -15.120 1.988 -18.834 843 HA MET 109 HA MET 109 -17.275 0.629 -17.563 844 HB2 MET 109 2HB MET 109 -15.421 -0.448 -18.894 845 HB3 MET 109 3HB MET 109 -14.359 -0.153 -17.524 846 HG2 MET 109 2HG MET 109 -16.569 -1.414 -16.423 847 HG3 MET 109 3HG MET 109 -16.291 -2.253 -17.948 848 HE1 MET 109 1HE MET 109 -13.914 -0.970 -14.749 849 HE2 MET 109 2HE MET 109 -15.513 -1.665 -14.481 850 HE3 MET 109 3HE MET 109 -14.068 -2.598 -14.089 851 H TYR 110 H TYR 110 -14.339 2.217 -16.411 852 HA TYR 110 HA TYR 110 -14.392 1.418 -13.751 853 HB2 TYR 110 2HB TYR 110 -12.522 2.654 -14.766 854 HB3 TYR 110 3HB TYR 110 -13.526 4.097 -14.859 855 HD1 TYR 110 HD1 TYR 110 -13.236 5.677 -13.208 856 HD2 TYR 110 HD2 TYR 110 -12.429 1.600 -12.297 857 HE1 TYR 110 HE1 TYR 110 -12.509 6.331 -10.951 858 HE2 TYR 110 HE2 TYR 110 -11.702 2.243 -10.037 859 HH TYR 110 HH TYR 110 -11.139 3.977 -8.708 860 H SER 111 H SER 111 -16.095 4.068 -15.350 861 HA SER 111 HA SER 111 -17.344 4.898 -12.865 862 HB2 SER 111 2HB SER 111 -18.253 6.727 -14.100 863 HB3 SER 111 3HB SER 111 -16.603 6.510 -14.682 864 HG SER 111 HG SER 111 -17.339 5.759 -16.558 865 H GLN 112 H GLN 112 -18.115 3.060 -15.728 866 HA GLN 112 HA GLN 112 -20.906 3.044 -15.554 867 HB2 GLN 112 2HB GLN 112 -19.799 2.208 -17.523 868 HB3 GLN 112 3HB GLN 112 -18.995 0.950 -16.593 869 HG2 GLN 112 2HG GLN 112 -20.997 -0.244 -16.284 870 HG3 GLN 112 3HG GLN 112 -21.981 1.114 -16.826 871 HE21 GLN 112 1HE2 GLN 112 -20.503 -1.755 -17.713 872 HE22 GLN 112 2HE2 GLN 112 -20.672 -1.617 -19.427 873 H MET 113 H MET 113 -18.480 1.291 -13.766 874 HA MET 113 HA MET 113 -20.394 -0.538 -12.597 875 HB2 MET 113 2HB MET 113 -17.978 -1.115 -13.097 876 HB3 MET 113 3HB MET 113 -17.536 -0.082 -11.745 877 HG2 MET 113 2HG MET 113 -18.124 -1.609 -10.225 878 HG3 MET 113 3HG MET 113 -19.579 -2.070 -11.106 879 HE1 MET 113 1HE MET 113 -15.548 -3.967 -10.916 880 HE2 MET 113 2HE MET 113 -16.257 -2.628 -10.015 881 HE3 MET 113 3HE MET 113 -16.810 -4.277 -9.724 882 H GLY 114 H GLY 114 -19.061 2.561 -11.903 883 HA2 GLY 114 2HA GLY 114 -20.185 3.984 -10.319 884 HA3 GLY 114 3HA GLY 114 -20.517 2.562 -9.342 885 H LEU 115 H LEU 115 -17.385 3.122 -10.775 886 HA LEU 115 HA LEU 115 -16.254 3.345 -8.085 887 HB2 LEU 115 2HB LEU 115 -14.682 3.018 -10.616 888 HB3 LEU 115 3HB LEU 115 -14.223 2.589 -8.969 889 HG LEU 115 HG LEU 115 -16.226 1.155 -10.712 890 HD11 LEU 115 1HD1 LEU 115 -14.026 0.641 -11.429 891 HD12 LEU 115 2HD1 LEU 115 -14.566 -0.710 -10.434 892 HD13 LEU 115 3HD1 LEU 115 -13.449 0.481 -9.770 893 HD21 LEU 115 1HD2 LEU 115 -16.975 1.080 -8.425 894 HD22 LEU 115 2HD2 LEU 115 -15.360 0.639 -7.869 895 HD23 LEU 115 3HD2 LEU 115 -16.292 -0.487 -8.858 896 H ASP 116 H ASP 116 -16.216 4.964 -11.231 897 HA ASP 116 HA ASP 116 -14.397 6.990 -10.660 898 HB2 ASP 116 2HB ASP 116 -15.310 6.517 -12.915 899 HB3 ASP 116 3HB ASP 116 -16.858 7.188 -12.410 900 H THR 117 H THR 117 -17.954 7.135 -10.432 901 HA THR 117 HA THR 117 -17.844 9.639 -9.002 902 HB THR 117 HB THR 117 -20.409 8.236 -8.937 903 HG1 THR 117 HG1 THR 117 -20.712 8.079 -11.108 904 HG21 THR 117 1HG2 THR 117 -21.255 10.318 -9.394 905 HG22 THR 117 2HG2 THR 117 -19.909 10.752 -10.448 906 HG23 THR 117 3HG2 THR 117 -19.700 10.772 -8.697 907 H ARG 118 H ARG 118 -19.498 9.691 -7.025 908 HA ARG 118 HA ARG 118 -18.235 8.166 -4.964 909 HB2 ARG 118 2HB ARG 118 -20.218 10.342 -5.128 910 HB3 ARG 118 3HB ARG 118 -20.401 9.274 -3.742 911 HG2 ARG 118 2HG ARG 118 -17.916 9.673 -3.324 912 HG3 ARG 118 3HG ARG 118 -18.065 11.003 -4.474 913 HD2 ARG 118 2HD ARG 118 -18.459 12.095 -2.493 914 HD3 ARG 118 3HD ARG 118 -20.101 11.673 -2.974 915 HE ARG 118 HE ARG 118 -19.005 9.625 -1.369 916 HH11 ARG 118 1HH1 ARG 118 -20.241 12.874 -1.173 917 HH12 ARG 118 2HH1 ARG 118 -20.763 12.716 0.472 918 HH21 ARG 118 1HH2 ARG 118 -19.687 9.404 0.797 919 HH22 ARG 118 2HH2 ARG 118 -20.446 10.743 1.592 920 HA PRO 119 HA PRO 119 -20.886 4.694 -4.568 921 HB2 PRO 119 2HB PRO 119 -21.099 4.419 -1.875 922 HB3 PRO 119 3HB PRO 119 -19.617 4.048 -2.766 923 HG2 PRO 119 2HG PRO 119 -20.330 6.507 -1.215 924 HG3 PRO 119 3HG PRO 119 -18.799 5.611 -1.251 925 HD2 PRO 119 2HD PRO 119 -19.184 7.894 -2.655 926 HD3 PRO 119 3HD PRO 119 -18.130 6.586 -3.230 Start of MODEL 5 1 H1 GLY 2 H GLY 2 1.997 -0.400 1.986 2 HA2 GLY 2 2HA GLY 2 3.418 -0.704 -0.037 3 HA3 GLY 2 3HA GLY 2 1.905 0.106 -0.414 4 H ASN 3 H ASN 3 1.922 2.203 -1.098 5 HA ASN 3 HA ASN 3 2.734 4.140 -1.970 6 HB2 ASN 3 2HB ASN 3 5.189 3.841 -0.255 7 HB3 ASN 3 3HB ASN 3 4.379 5.318 -0.770 8 HD21 ASN 3 1HD2 ASN 3 5.126 4.354 1.902 9 HD22 ASN 3 2HD2 ASN 3 3.664 4.358 2.823 10 H LEU 4 H LEU 4 3.210 3.777 -4.055 11 HA LEU 4 HA LEU 4 4.355 3.221 -5.944 12 HB2 LEU 4 2HB LEU 4 5.749 5.064 -4.911 13 HB3 LEU 4 3HB LEU 4 6.820 3.797 -4.317 14 HG LEU 4 HG LEU 4 7.350 3.147 -6.599 15 HD11 LEU 4 1HD1 LEU 4 5.595 3.511 -7.993 16 HD12 LEU 4 2HD1 LEU 4 6.520 4.971 -8.339 17 HD13 LEU 4 3HD1 LEU 4 5.154 5.036 -7.225 18 HD21 LEU 4 1HD2 LEU 4 8.403 5.343 -7.334 19 HD22 LEU 4 2HD2 LEU 4 8.831 4.752 -5.727 20 HD23 LEU 4 3HD2 LEU 4 7.654 6.055 -5.903 21 H LYS 5 H LYS 5 3.674 1.020 -4.378 22 HA LYS 5 HA LYS 5 5.665 -0.771 -3.709 23 HB2 LYS 5 2HB LYS 5 2.858 -0.855 -4.102 24 HB3 LYS 5 3HB LYS 5 3.545 -2.203 -5.000 25 HG2 LYS 5 2HG LYS 5 4.603 -1.855 -2.283 26 HG3 LYS 5 3HG LYS 5 2.892 -2.279 -2.380 27 HD2 LYS 5 2HD LYS 5 3.683 -4.094 -4.047 28 HD3 LYS 5 3HD LYS 5 5.279 -3.811 -3.349 29 HE2 LYS 5 2HE LYS 5 4.271 -4.224 -1.096 30 HE3 LYS 5 3HE LYS 5 2.782 -4.697 -1.912 31 HZ1 LYS 5 1HZ LYS 5 3.608 -6.712 -2.220 32 HZ2 LYS 5 2HZ LYS 5 5.006 -6.278 -1.371 33 HZ3 LYS 5 3HZ LYS 5 4.943 -6.090 -3.051 34 H SER 6 H SER 6 7.281 -1.596 -4.842 35 HA SER 6 HA SER 6 7.683 -1.264 -7.567 36 HB2 SER 6 2HB SER 6 9.523 -1.795 -6.074 37 HB3 SER 6 3HB SER 6 8.822 -3.374 -5.718 38 HG SER 6 HG SER 6 10.551 -3.280 -7.360 39 H ARG 7 H ARG 7 5.876 -3.685 -5.865 40 HA ARG 7 HA ARG 7 5.761 -5.556 -8.036 41 HB2 ARG 7 2HB ARG 7 5.475 -6.112 -5.580 42 HB3 ARG 7 3HB ARG 7 3.878 -5.384 -5.686 43 HG2 ARG 7 2HG ARG 7 3.489 -7.037 -7.621 44 HG3 ARG 7 3HG ARG 7 4.895 -7.885 -6.972 45 HD2 ARG 7 2HD ARG 7 3.742 -7.918 -4.752 46 HD3 ARG 7 3HD ARG 7 2.310 -7.270 -5.551 47 HE ARG 7 HE ARG 7 2.992 -9.512 -6.982 48 HH11 ARG 7 1HH1 ARG 7 2.164 -8.797 -3.677 49 HH12 ARG 7 2HH1 ARG 7 1.460 -10.353 -3.381 50 HH21 ARG 7 1HH2 ARG 7 2.067 -11.562 -6.605 51 HH22 ARG 7 2HH2 ARG 7 1.406 -11.924 -5.046 52 H ASP 8 H ASP 8 3.142 -3.711 -6.465 53 HA ASP 8 HA ASP 8 1.263 -4.038 -8.485 54 HB2 ASP 8 2HB ASP 8 1.617 -1.872 -6.417 55 HB3 ASP 8 3HB ASP 8 0.246 -1.897 -7.523 56 H TRP 9 H TRP 9 3.979 -1.898 -8.295 57 HA TRP 9 HA TRP 9 3.090 -0.069 -10.309 58 HB2 TRP 9 2HB TRP 9 4.769 0.525 -8.574 59 HB3 TRP 9 3HB TRP 9 5.904 -0.592 -9.326 60 HD1 TRP 9 HD1 TRP 9 7.657 0.777 -10.579 61 HE1 TRP 9 HE1 TRP 9 7.638 2.834 -12.127 62 HE3 TRP 9 HE3 TRP 9 2.672 1.898 -10.384 63 HZ2 TRP 9 HZ2 TRP 9 5.761 4.686 -13.131 64 HZ3 TRP 9 HZ3 TRP 9 1.846 3.828 -11.667 65 HH2 TRP 9 HH2 TRP 9 3.360 5.191 -13.011 66 H LYS 10 H LYS 10 5.826 -2.361 -10.352 67 HA LYS 10 HA LYS 10 6.306 -2.320 -13.070 68 HB2 LYS 10 2HB LYS 10 6.639 -4.578 -11.091 69 HB3 LYS 10 3HB LYS 10 7.265 -4.626 -12.734 70 HG2 LYS 10 2HG LYS 10 7.996 -2.464 -10.782 71 HG3 LYS 10 3HG LYS 10 8.901 -3.973 -10.932 72 HD2 LYS 10 2HD LYS 10 9.410 -3.494 -13.238 73 HD3 LYS 10 3HD LYS 10 8.376 -2.063 -13.209 74 HE2 LYS 10 2HE LYS 10 10.063 -1.574 -11.124 75 HE3 LYS 10 3HE LYS 10 11.120 -2.434 -12.243 76 HZ1 LYS 10 1HZ LYS 10 10.134 0.229 -12.388 77 HZ2 LYS 10 2HZ LYS 10 9.734 -0.633 -13.788 78 HZ3 LYS 10 3HZ LYS 10 11.351 -0.513 -13.301 79 H MET 11 H MET 11 3.809 -3.995 -11.302 80 HA MET 11 HA MET 11 3.043 -5.691 -13.492 81 HB2 MET 11 2HB MET 11 2.692 -6.118 -10.977 82 HB3 MET 11 3HB MET 11 1.317 -5.031 -11.117 83 HG2 MET 11 2HG MET 11 0.113 -6.495 -12.406 84 HG3 MET 11 3HG MET 11 1.551 -7.315 -13.009 85 HE1 MET 11 1HE MET 11 2.927 -8.766 -11.936 86 HE2 MET 11 2HE MET 11 2.667 -9.662 -10.440 87 HE3 MET 11 3HE MET 11 1.788 -10.113 -11.902 88 H ALA 12 H ALA 12 1.374 -3.016 -11.817 89 HA ALA 12 HA ALA 12 -0.733 -2.693 -13.570 90 HB1 ALA 12 1HB ALA 12 0.723 -0.640 -11.916 91 HB2 ALA 12 2HB ALA 12 -0.785 -0.317 -12.773 92 HB3 ALA 12 3HB ALA 12 -0.740 -1.529 -11.492 93 H ILE 13 H ILE 13 2.548 -1.420 -13.800 94 HA ILE 13 HA ILE 13 2.012 0.189 -16.108 95 HB ILE 13 HB ILE 13 4.642 -0.761 -14.966 96 HG12 ILE 13 2HG1 ILE 13 3.312 0.687 -13.460 97 HG13 ILE 13 3HG1 ILE 13 4.798 1.464 -13.996 98 HG21 ILE 13 1HG2 ILE 13 5.431 -0.120 -16.967 99 HG22 ILE 13 2HG2 ILE 13 3.964 0.772 -17.371 100 HG23 ILE 13 3HG2 ILE 13 5.194 1.514 -16.347 101 HD11 ILE 13 1HD1 ILE 13 3.676 3.155 -14.881 102 HD12 ILE 13 2HD1 ILE 13 2.600 2.069 -15.763 103 HD13 ILE 13 3HD1 ILE 13 2.237 2.510 -14.094 104 H LYS 14 H LYS 14 3.366 -3.020 -15.537 105 HA LYS 14 HA LYS 14 4.273 -3.579 -18.116 106 HB2 LYS 14 2HB LYS 14 4.874 -5.040 -16.321 107 HB3 LYS 14 3HB LYS 14 3.189 -5.384 -15.954 108 HG2 LYS 14 2HG LYS 14 3.945 -6.062 -18.688 109 HG3 LYS 14 3HG LYS 14 4.844 -6.952 -17.458 110 HD2 LYS 14 2HD LYS 14 1.840 -6.712 -17.481 111 HD3 LYS 14 3HD LYS 14 2.719 -8.047 -18.230 112 HE2 LYS 14 2HE LYS 14 3.610 -7.569 -15.519 113 HE3 LYS 14 3HE LYS 14 1.874 -7.868 -15.584 114 HZ1 LYS 14 1HZ LYS 14 4.079 -9.635 -16.436 115 HZ2 LYS 14 2HZ LYS 14 2.514 -9.849 -17.041 116 HZ3 LYS 14 3HZ LYS 14 2.803 -9.970 -15.378 117 H ARG 15 H ARG 15 1.053 -3.603 -16.774 118 HA ARG 15 HA ARG 15 -0.062 -4.897 -19.131 119 HB2 ARG 15 2HB ARG 15 -1.187 -3.989 -16.498 120 HB3 ARG 15 3HB ARG 15 -2.255 -4.374 -17.840 121 HG2 ARG 15 2HG ARG 15 -0.194 -6.281 -16.764 122 HG3 ARG 15 3HG ARG 15 -1.869 -6.231 -16.210 123 HD2 ARG 15 2HD ARG 15 -1.802 -6.297 -19.073 124 HD3 ARG 15 3HD ARG 15 -0.812 -7.606 -18.431 125 HE ARG 15 HE ARG 15 -3.669 -7.377 -18.310 126 HH11 ARG 15 1HH1 ARG 15 -0.854 -8.748 -16.789 127 HH12 ARG 15 2HH1 ARG 15 -1.725 -10.055 -16.056 128 HH21 ARG 15 1HH2 ARG 15 -4.827 -9.092 -17.350 129 HH22 ARG 15 2HH2 ARG 15 -3.985 -10.250 -16.377 130 H CYS 16 H CYS 16 -0.139 -1.746 -17.515 131 HA CYS 16 HA CYS 16 -1.959 -0.450 -19.169 132 HB2 CYS 16 2HB CYS 16 0.273 0.420 -17.407 133 HB3 CYS 16 3HB CYS 16 -0.349 1.598 -18.557 134 HG CYS 16 HG CYS 16 -1.645 0.565 -15.690 135 H SER 17 H SER 17 1.318 -1.385 -19.761 136 HA SER 17 HA SER 17 2.019 0.400 -21.793 137 HB2 SER 17 2HB SER 17 3.616 -1.360 -22.519 138 HB3 SER 17 3HB SER 17 3.660 -1.083 -20.778 139 HG SER 17 HG SER 17 3.551 -3.246 -20.964 140 H ASN 18 H ASN 18 -0.226 -2.201 -21.774 141 HA ASN 18 HA ASN 18 -0.316 -2.335 -24.693 142 HB2 ASN 18 2HB ASN 18 -1.448 -4.014 -22.480 143 HB3 ASN 18 3HB ASN 18 -2.152 -4.102 -24.092 144 HD21 ASN 18 1HD2 ASN 18 -1.136 -5.232 -25.644 145 HD22 ASN 18 2HD2 ASN 18 0.367 -6.057 -25.426 146 H VAL 19 H VAL 19 -1.193 0.034 -23.169 147 HA VAL 19 HA VAL 19 -4.035 0.064 -23.955 148 HB VAL 19 HB VAL 19 -2.701 1.819 -21.889 149 HG11 VAL 19 1HG1 VAL 19 -4.546 2.958 -22.899 150 HG12 VAL 19 2HG1 VAL 19 -5.571 1.528 -22.762 151 HG13 VAL 19 3HG1 VAL 19 -5.060 2.391 -21.311 152 HG21 VAL 19 1HG2 VAL 19 -2.776 -0.378 -20.992 153 HG22 VAL 19 2HG2 VAL 19 -4.134 0.502 -20.289 154 HG23 VAL 19 3HG2 VAL 19 -4.410 -0.644 -21.601 155 H ALA 20 H ALA 20 -4.826 1.844 -25.084 156 HA ALA 20 HA ALA 20 -2.768 3.394 -26.482 157 HB1 ALA 20 1HB ALA 20 -4.477 3.845 -28.154 158 HB2 ALA 20 2HB ALA 20 -4.332 2.111 -27.864 159 HB3 ALA 20 3HB ALA 20 -5.679 3.011 -27.169 160 H VAL 21 H VAL 21 -2.915 5.646 -26.712 161 HA VAL 21 HA VAL 21 -3.661 7.085 -24.446 162 HB VAL 21 HB VAL 21 -3.267 9.105 -25.735 163 HG11 VAL 21 1HG1 VAL 21 -1.297 7.977 -24.993 164 HG12 VAL 21 2HG1 VAL 21 -1.363 6.852 -26.350 165 HG13 VAL 21 3HG1 VAL 21 -0.998 8.554 -26.631 166 HG21 VAL 21 1HG2 VAL 21 -3.856 7.312 -27.994 167 HG22 VAL 21 2HG2 VAL 21 -4.141 9.043 -27.813 168 HG23 VAL 21 3HG2 VAL 21 -2.538 8.455 -28.254 169 H GLY 22 H GLY 22 -5.508 6.155 -27.232 170 HA2 GLY 22 2HA GLY 22 -7.999 6.453 -26.224 171 HA3 GLY 22 3HA GLY 22 -7.617 8.076 -26.776 172 H VAL 23 H VAL 23 -9.601 7.521 -28.096 173 HA VAL 23 HA VAL 23 -9.084 5.793 -30.380 174 HB VAL 23 HB VAL 23 -11.534 7.473 -29.839 175 HG11 VAL 23 1HG1 VAL 23 -11.334 6.765 -32.145 176 HG12 VAL 23 2HG1 VAL 23 -11.062 5.097 -31.637 177 HG13 VAL 23 3HG1 VAL 23 -12.625 5.863 -31.352 178 HG21 VAL 23 1HG2 VAL 23 -10.705 4.801 -28.816 179 HG22 VAL 23 2HG2 VAL 23 -11.587 6.094 -28.004 180 HG23 VAL 23 3HG2 VAL 23 -12.406 5.079 -29.191 181 H GLY 24 H GLY 24 -10.205 9.161 -29.953 182 HA2 GLY 24 2HA GLY 24 -9.430 9.817 -32.662 183 HA3 GLY 24 3HA GLY 24 -10.155 10.906 -31.488 184 H GLY 25 H GLY 25 -8.028 11.621 -33.191 185 HA2 GLY 25 2HA GLY 25 -6.276 13.141 -32.636 186 HA3 GLY 25 3HA GLY 25 -6.000 12.235 -31.157 187 H LYS 26 H LYS 26 -3.799 11.997 -31.522 188 HA LYS 26 HA LYS 26 -2.587 11.147 -33.879 189 HB2 LYS 26 2HB LYS 26 -1.798 10.903 -30.987 190 HB3 LYS 26 3HB LYS 26 -0.779 10.258 -32.267 191 HG2 LYS 26 2HG LYS 26 -0.552 12.455 -33.245 192 HG3 LYS 26 3HG LYS 26 -1.660 13.129 -32.047 193 HD2 LYS 26 2HD LYS 26 -0.110 12.636 -30.268 194 HD3 LYS 26 3HD LYS 26 0.964 11.792 -31.386 195 HE2 LYS 26 2HE LYS 26 0.231 14.689 -31.723 196 HE3 LYS 26 3HE LYS 26 1.601 14.171 -30.742 197 HZ1 LYS 26 1HZ LYS 26 2.793 13.587 -32.551 198 HZ2 LYS 26 2HZ LYS 26 1.808 14.730 -33.315 199 HZ3 LYS 26 3HZ LYS 26 1.443 13.083 -33.439 200 H SER 27 H SER 27 -4.309 9.351 -31.455 201 HA SER 27 HA SER 27 -4.978 7.180 -31.336 202 HB2 SER 27 2HB SER 27 -5.535 7.676 -33.781 203 HB3 SER 27 3HB SER 27 -4.035 6.841 -34.182 204 HG SER 27 HG SER 27 -6.376 5.759 -33.745 205 H LYS 28 H LYS 28 -2.230 7.962 -30.698 206 HA LYS 28 HA LYS 28 -0.619 5.663 -31.450 207 HB2 LYS 28 2HB LYS 28 1.178 6.780 -30.214 208 HB3 LYS 28 3HB LYS 28 0.437 7.867 -31.382 209 HG2 LYS 28 2HG LYS 28 -0.879 8.885 -29.571 210 HG3 LYS 28 3HG LYS 28 -0.073 7.823 -28.413 211 HD2 LYS 28 2HD LYS 28 2.096 8.848 -29.519 212 HD3 LYS 28 3HD LYS 28 0.990 10.166 -29.913 213 HE2 LYS 28 2HE LYS 28 0.474 10.522 -27.616 214 HE3 LYS 28 3HE LYS 28 1.302 9.041 -27.136 215 HZ1 LYS 28 1HZ LYS 28 2.360 11.644 -27.463 216 HZ2 LYS 28 2HZ LYS 28 3.163 10.572 -28.493 217 HZ3 LYS 28 3HZ LYS 28 3.108 10.264 -26.831 218 H LYS 29 H LYS 29 0.786 4.825 -29.475 219 HA LYS 29 HA LYS 29 -1.143 3.705 -27.604 220 HB2 LYS 29 2HB LYS 29 0.581 2.100 -27.050 221 HB3 LYS 29 3HB LYS 29 0.442 2.222 -28.800 222 HG2 LYS 29 2HG LYS 29 2.394 3.795 -28.748 223 HG3 LYS 29 3HG LYS 29 2.586 3.385 -27.042 224 HD2 LYS 29 2HD LYS 29 3.976 1.810 -27.890 225 HD3 LYS 29 3HD LYS 29 2.467 0.914 -28.082 226 HE2 LYS 29 2HE LYS 29 2.306 1.863 -30.396 227 HE3 LYS 29 3HE LYS 29 3.927 2.521 -30.173 228 HZ1 LYS 29 1HZ LYS 29 3.634 -0.304 -29.592 229 HZ2 LYS 29 2HZ LYS 29 4.868 0.511 -30.411 230 HZ3 LYS 29 3HZ LYS 29 3.433 0.121 -31.217 231 H PHE 30 H PHE 30 -1.110 3.990 -25.418 232 HA PHE 30 HA PHE 30 -0.168 6.366 -24.345 233 HB2 PHE 30 2HB PHE 30 -1.620 4.114 -23.419 234 HB3 PHE 30 3HB PHE 30 -0.322 4.401 -22.264 235 HD1 PHE 30 HD1 PHE 30 -0.040 7.246 -22.156 236 HD2 PHE 30 HD2 PHE 30 -3.584 4.921 -22.549 237 HE1 PHE 30 HE1 PHE 30 -1.345 9.069 -21.143 238 HE2 PHE 30 HE2 PHE 30 -4.894 6.740 -21.538 239 HZ PHE 30 HZ PHE 30 -3.775 8.818 -20.833 240 H GLY 31 H GLY 31 1.947 6.885 -24.508 241 HA2 GLY 31 2HA GLY 31 4.013 4.935 -23.936 242 HA3 GLY 31 3HA GLY 31 4.258 6.604 -24.429 243 H GLU 32 H GLU 32 5.970 6.342 -22.719 244 HA GLU 32 HA GLU 32 5.185 6.209 -19.982 245 HB2 GLU 32 2HB GLU 32 7.681 6.615 -21.489 246 HB3 GLU 32 3HB GLU 32 7.633 7.417 -19.925 247 HG2 GLU 32 2HG GLU 32 6.983 4.508 -20.283 248 HG3 GLU 32 3HG GLU 32 8.613 5.097 -19.964 249 H GLY 33 H GLY 33 6.420 8.906 -21.971 250 HA2 GLY 33 2HA GLY 33 6.118 10.943 -20.119 251 HA3 GLY 33 3HA GLY 33 6.015 11.165 -21.859 252 H ASN 34 H ASN 34 3.671 9.307 -21.969 253 HA ASN 34 HA ASN 34 1.658 11.319 -21.557 254 HB2 ASN 34 2HB ASN 34 1.499 8.464 -22.544 255 HB3 ASN 34 3HB ASN 34 0.116 9.551 -22.460 256 HD21 ASN 34 1HD2 ASN 34 -0.338 10.629 -24.230 257 HD22 ASN 34 2HD2 ASN 34 0.759 10.983 -25.518 258 H PHE 35 H PHE 35 1.753 7.904 -20.527 259 HA PHE 35 HA PHE 35 -0.217 8.077 -18.589 260 HB2 PHE 35 2HB PHE 35 1.793 6.163 -19.382 261 HB3 PHE 35 3HB PHE 35 1.643 6.197 -17.628 262 HD1 PHE 35 HD1 PHE 35 0.663 4.372 -20.248 263 HD2 PHE 35 HD2 PHE 35 -1.106 6.581 -17.070 264 HE1 PHE 35 HE1 PHE 35 -1.353 2.969 -20.401 265 HE2 PHE 35 HE2 PHE 35 -3.125 5.181 -17.216 266 HZ PHE 35 HZ PHE 35 -3.250 3.372 -18.883 267 H ARG 36 H ARG 36 3.139 9.001 -18.441 268 HA ARG 36 HA ARG 36 3.240 9.233 -15.584 269 HB2 ARG 36 2HB ARG 36 5.212 8.878 -17.180 270 HB3 ARG 36 3HB ARG 36 5.090 10.597 -17.531 271 HG2 ARG 36 2HG ARG 36 5.337 11.002 -15.057 272 HG3 ARG 36 3HG ARG 36 5.743 9.292 -14.906 273 HD2 ARG 36 2HD ARG 36 7.731 9.526 -16.057 274 HD3 ARG 36 3HD ARG 36 7.192 10.980 -16.896 275 HE ARG 36 HE ARG 36 7.301 11.738 -14.291 276 HH11 ARG 36 1HH1 ARG 36 9.563 10.254 -16.480 277 HH12 ARG 36 2HH1 ARG 36 10.956 10.954 -15.723 278 HH21 ARG 36 1HH2 ARG 36 9.125 12.665 -13.284 279 HH22 ARG 36 2HH2 ARG 36 10.706 12.324 -13.904 280 H TRP 37 H TRP 37 3.007 11.552 -18.271 281 HA TRP 37 HA TRP 37 2.951 13.899 -16.791 282 HB2 TRP 37 2HB TRP 37 3.158 14.079 -19.147 283 HB3 TRP 37 3HB TRP 37 1.676 13.166 -19.423 284 HD1 TRP 37 HD1 TRP 37 2.949 16.666 -18.818 285 HE1 TRP 37 HE1 TRP 37 0.985 18.325 -18.953 286 HE3 TRP 37 HE3 TRP 37 -0.926 13.332 -18.906 287 HZ2 TRP 37 HZ2 TRP 37 -1.833 18.232 -19.080 288 HZ3 TRP 37 HZ3 TRP 37 -3.225 14.199 -19.034 289 HH2 TRP 37 HH2 TRP 37 -3.668 16.598 -19.118 290 H ALA 38 H ALA 38 0.449 11.530 -17.338 291 HA ALA 38 HA ALA 38 -1.683 13.191 -16.348 292 HB1 ALA 38 1HB ALA 38 -1.419 10.430 -17.364 293 HB2 ALA 38 2HB ALA 38 -2.743 10.734 -16.239 294 HB3 ALA 38 3HB ALA 38 -2.622 11.667 -17.730 295 H ILE 39 H ILE 39 -0.356 10.105 -15.137 296 HA ILE 39 HA ILE 39 -1.492 10.153 -12.628 297 HB ILE 39 HB ILE 39 -0.305 8.202 -13.487 298 HG12 ILE 39 2HG1 ILE 39 1.379 8.475 -11.171 299 HG13 ILE 39 3HG1 ILE 39 -0.189 9.207 -10.849 300 HG21 ILE 39 1HG2 ILE 39 1.592 9.704 -14.408 301 HG22 ILE 39 2HG2 ILE 39 2.315 9.477 -12.817 302 HG23 ILE 39 3HG2 ILE 39 1.981 8.079 -13.840 303 HD11 ILE 39 1HD1 ILE 39 -1.188 7.037 -11.729 304 HD12 ILE 39 2HD1 ILE 39 0.437 6.371 -11.574 305 HD13 ILE 39 3HD1 ILE 39 -0.400 6.994 -10.152 306 H ARG 40 H ARG 40 1.435 11.753 -13.750 307 HA ARG 40 HA ARG 40 2.310 12.602 -11.178 308 HB2 ARG 40 2HB ARG 40 2.972 13.529 -13.972 309 HB3 ARG 40 3HB ARG 40 3.713 14.226 -12.537 310 HG2 ARG 40 2HG ARG 40 3.825 11.297 -13.208 311 HG3 ARG 40 3HG ARG 40 5.062 12.463 -13.685 312 HD2 ARG 40 2HD ARG 40 5.053 13.062 -11.139 313 HD3 ARG 40 3HD ARG 40 4.341 11.459 -10.967 314 HE ARG 40 HE ARG 40 7.065 12.073 -11.564 315 HH11 ARG 40 1HH1 ARG 40 4.539 9.726 -12.041 316 HH12 ARG 40 2HH1 ARG 40 5.632 8.404 -12.278 317 HH21 ARG 40 1HH2 ARG 40 8.516 10.340 -11.873 318 HH22 ARG 40 2HH2 ARG 40 7.895 8.754 -12.181 319 H MET 41 H MET 41 0.811 14.401 -13.873 320 HA MET 41 HA MET 41 0.463 16.818 -12.554 321 HB2 MET 41 2HB MET 41 0.141 16.473 -14.986 322 HB3 MET 41 3HB MET 41 -1.356 15.616 -14.648 323 HG2 MET 41 2HG MET 41 -1.955 17.804 -15.280 324 HG3 MET 41 3HG MET 41 -2.183 17.704 -13.535 325 HE1 MET 41 1HE MET 41 -0.265 18.760 -16.454 326 HE2 MET 41 2HE MET 41 0.461 20.304 -16.007 327 HE3 MET 41 3HE MET 41 1.340 18.801 -15.724 328 H ALA 42 H ALA 42 -1.492 13.906 -12.484 329 HA ALA 42 HA ALA 42 -3.759 15.017 -11.208 330 HB1 ALA 42 1HB ALA 42 -2.771 12.169 -11.147 331 HB2 ALA 42 2HB ALA 42 -4.396 12.720 -10.731 332 HB3 ALA 42 3HB ALA 42 -3.809 12.869 -12.387 333 H ASN 43 H ASN 43 -0.921 13.291 -9.939 334 HA ASN 43 HA ASN 43 -1.669 13.313 -7.241 335 HB2 ASN 43 2HB ASN 43 0.838 12.902 -8.756 336 HB3 ASN 43 3HB ASN 43 1.034 13.384 -7.074 337 HD21 ASN 43 1HD2 ASN 43 2.048 11.175 -7.132 338 HD22 ASN 43 2HD2 ASN 43 1.020 9.836 -6.767 339 H VAL 44 H VAL 44 0.474 15.544 -9.011 340 HA VAL 44 HA VAL 44 0.922 17.305 -6.863 341 HB VAL 44 HB VAL 44 2.324 17.287 -8.879 342 HG11 VAL 44 1HG1 VAL 44 1.569 18.304 -10.947 343 HG12 VAL 44 2HG1 VAL 44 0.521 16.951 -10.520 344 HG13 VAL 44 3HG1 VAL 44 -0.019 18.607 -10.244 345 HG21 VAL 44 1HG2 VAL 44 1.352 19.567 -7.495 346 HG22 VAL 44 2HG2 VAL 44 2.934 19.324 -8.239 347 HG23 VAL 44 3HG2 VAL 44 1.614 20.020 -9.179 348 H SER 45 H SER 45 -1.632 17.116 -9.260 349 HA SER 45 HA SER 45 -2.759 19.665 -8.842 350 HB2 SER 45 2HB SER 45 -3.801 17.076 -9.953 351 HB3 SER 45 3HB SER 45 -4.894 18.438 -9.703 352 HG SER 45 HG SER 45 -2.466 18.751 -11.105 353 H THR 46 H THR 46 -2.899 16.729 -7.024 354 HA THR 46 HA THR 46 -5.137 17.702 -5.408 355 HB THR 46 HB THR 46 -4.750 15.414 -4.235 356 HG1 THR 46 HG1 THR 46 -3.548 13.967 -5.330 357 HG21 THR 46 1HG2 THR 46 -6.229 14.335 -5.771 358 HG22 THR 46 2HG2 THR 46 -5.705 15.374 -7.096 359 HG23 THR 46 3HG2 THR 46 -6.643 16.049 -5.762 360 H GLY 47 H GLY 47 -2.372 18.850 -5.375 361 HA2 GLY 47 2HA GLY 47 -0.875 19.649 -3.829 362 HA3 GLY 47 3HA GLY 47 -2.165 19.419 -2.658 363 H ARG 48 H ARG 48 -0.964 16.694 -4.431 364 HA ARG 48 HA ARG 48 -0.119 15.439 -1.974 365 HB2 ARG 48 2HB ARG 48 -1.277 14.431 -4.157 366 HB3 ARG 48 3HB ARG 48 0.401 14.168 -4.613 367 HG2 ARG 48 2HG ARG 48 -0.261 12.180 -3.586 368 HG3 ARG 48 3HG ARG 48 0.670 13.031 -2.353 369 HD2 ARG 48 2HD ARG 48 -2.156 13.711 -2.295 370 HD3 ARG 48 3HD ARG 48 -1.870 11.987 -2.059 371 HE ARG 48 HE ARG 48 -0.151 13.586 -0.440 372 HH11 ARG 48 1HH1 ARG 48 -3.381 12.311 -0.685 373 HH12 ARG 48 2HH1 ARG 48 -3.659 12.331 1.025 374 HH21 ARG 48 1HH2 ARG 48 -0.505 13.619 1.813 375 HH22 ARG 48 2HH2 ARG 48 -2.022 13.076 2.445 376 H GLU 49 H GLU 49 1.704 16.554 -1.293 377 HA GLU 49 HA GLU 49 3.876 17.359 -2.792 378 HB2 GLU 49 2HB GLU 49 3.315 16.888 0.017 379 HB3 GLU 49 3HB GLU 49 4.984 16.501 -0.381 380 HG2 GLU 49 2HG GLU 49 5.474 18.649 -0.258 381 HG3 GLU 49 3HG GLU 49 4.426 18.942 -1.645 382 HA PRO 50 HA PRO 50 6.048 13.124 -1.993 383 HB2 PRO 50 2HB PRO 50 4.557 11.137 -0.898 384 HB3 PRO 50 3HB PRO 50 5.476 12.294 0.071 385 HG2 PRO 50 2HG PRO 50 2.558 12.277 -0.599 386 HG3 PRO 50 3HG PRO 50 3.348 12.627 0.950 387 HD2 PRO 50 2HD PRO 50 2.441 14.577 -0.696 388 HD3 PRO 50 3HD PRO 50 3.868 14.788 0.340 389 H GLY 51 H GLY 51 2.585 12.870 -2.730 390 HA2 GLY 51 2HA GLY 51 1.503 12.028 -4.574 391 HA3 GLY 51 3HA GLY 51 3.057 12.029 -5.396 392 H ASP 52 H ASP 52 4.379 10.176 -5.294 393 HA ASP 52 HA ASP 52 4.812 7.943 -5.288 394 HB2 ASP 52 2HB ASP 52 2.743 7.606 -3.127 395 HB3 ASP 52 3HB ASP 52 4.209 6.667 -3.398 396 H ILE 53 H ILE 53 3.565 5.693 -5.323 397 HA ILE 53 HA ILE 53 0.959 5.931 -6.600 398 HB ILE 53 HB ILE 53 3.279 4.607 -8.010 399 HG12 ILE 53 2HG1 ILE 53 1.753 7.133 -8.686 400 HG13 ILE 53 3HG1 ILE 53 3.414 7.057 -8.109 401 HG21 ILE 53 1HG2 ILE 53 1.764 3.492 -9.183 402 HG22 ILE 53 2HG2 ILE 53 0.482 4.202 -8.203 403 HG23 ILE 53 3HG2 ILE 53 1.016 5.012 -9.676 404 HD11 ILE 53 1HD1 ILE 53 2.319 6.183 -10.756 405 HD12 ILE 53 2HD1 ILE 53 3.572 7.378 -10.418 406 HD13 ILE 53 3HD1 ILE 53 3.901 5.663 -10.174 407 HA PRO 54 HA PRO 54 1.455 2.211 -3.869 408 HB2 PRO 54 2HB PRO 54 -0.885 2.588 -2.543 409 HB3 PRO 54 3HB PRO 54 0.632 3.351 -2.051 410 HG2 PRO 54 2HG PRO 54 -1.639 4.496 -3.631 411 HG3 PRO 54 3HG PRO 54 -0.701 5.237 -2.320 412 HD2 PRO 54 2HD PRO 54 -0.242 5.787 -4.932 413 HD3 PRO 54 3HD PRO 54 1.050 5.786 -3.715 414 H GLU 55 H GLU 55 -0.860 3.393 -6.121 415 HA GLU 55 HA GLU 55 -2.418 2.392 -7.445 416 HB2 GLU 55 2HB GLU 55 -0.243 0.497 -7.127 417 HB3 GLU 55 3HB GLU 55 -1.773 -0.322 -7.412 418 HG2 GLU 55 2HG GLU 55 -1.443 1.916 -9.199 419 HG3 GLU 55 3HG GLU 55 -0.085 0.799 -9.311 420 H THR 56 H THR 56 -4.154 2.753 -6.023 421 HA THR 56 HA THR 56 -5.333 0.306 -4.991 422 HB THR 56 HB THR 56 -5.841 1.222 -2.792 423 HG1 THR 56 HG1 THR 56 -4.682 3.213 -2.203 424 HG21 THR 56 1HG2 THR 56 -2.881 1.530 -3.278 425 HG22 THR 56 2HG2 THR 56 -3.694 -0.033 -3.212 426 HG23 THR 56 3HG2 THR 56 -3.686 1.017 -1.796 427 H LEU 57 H LEU 57 -7.488 0.270 -5.273 428 HA LEU 57 HA LEU 57 -8.815 2.095 -6.857 429 HB2 LEU 57 2HB LEU 57 -10.064 0.330 -4.757 430 HB3 LEU 57 3HB LEU 57 -10.877 1.025 -6.159 431 HG LEU 57 HG LEU 57 -8.661 -1.019 -6.287 432 HD11 LEU 57 1HD1 LEU 57 -11.182 -1.504 -5.420 433 HD12 LEU 57 2HD1 LEU 57 -10.175 -2.675 -6.272 434 HD13 LEU 57 3HD1 LEU 57 -11.371 -1.731 -7.159 435 HD21 LEU 57 1HD2 LEU 57 -8.551 -0.530 -8.447 436 HD22 LEU 57 2HD2 LEU 57 -9.755 0.741 -8.232 437 HD23 LEU 57 3HD2 LEU 57 -10.266 -0.902 -8.621 438 H ASP 58 H ASP 58 -8.344 2.116 -3.399 439 HA ASP 58 HA ASP 58 -10.309 4.092 -2.810 440 HB2 ASP 58 2HB ASP 58 -9.550 2.643 -1.043 441 HB3 ASP 58 3HB ASP 58 -7.879 3.147 -1.281 442 H GLN 59 H GLN 59 -6.824 4.194 -3.424 443 HA GLN 59 HA GLN 59 -6.535 6.976 -2.952 444 HB2 GLN 59 2HB GLN 59 -4.581 5.619 -2.836 445 HB3 GLN 59 3HB GLN 59 -4.851 4.973 -4.449 446 HG2 GLN 59 2HG GLN 59 -4.626 7.849 -4.495 447 HG3 GLN 59 3HG GLN 59 -3.216 7.100 -3.748 448 HE21 GLN 59 1HE2 GLN 59 -2.872 4.828 -5.103 449 HE22 GLN 59 2HE2 GLN 59 -2.573 5.137 -6.776 450 H LEU 60 H LEU 60 -6.572 5.135 -6.009 451 HA LEU 60 HA LEU 60 -6.550 7.272 -7.761 452 HB2 LEU 60 2HB LEU 60 -7.492 4.471 -7.882 453 HB3 LEU 60 3HB LEU 60 -8.075 5.559 -9.141 454 HG LEU 60 HG LEU 60 -6.128 4.323 -9.898 455 HD11 LEU 60 1HD1 LEU 60 -4.625 6.669 -9.863 456 HD12 LEU 60 2HD1 LEU 60 -6.305 7.196 -9.768 457 HD13 LEU 60 3HD1 LEU 60 -5.781 6.160 -11.094 458 HD21 LEU 60 1HD2 LEU 60 -4.186 5.660 -8.184 459 HD22 LEU 60 2HD2 LEU 60 -4.291 3.970 -8.676 460 HD23 LEU 60 3HD2 LEU 60 -5.240 4.551 -7.307 461 H ARG 61 H ARG 61 -9.316 5.731 -6.179 462 HA ARG 61 HA ARG 61 -11.329 7.198 -7.493 463 HB2 ARG 61 2HB ARG 61 -11.810 5.153 -6.247 464 HB3 ARG 61 3HB ARG 61 -11.340 5.938 -4.745 465 HG2 ARG 61 2HG ARG 61 -13.258 7.191 -4.638 466 HG3 ARG 61 3HG ARG 61 -13.518 7.137 -6.383 467 HD2 ARG 61 2HD ARG 61 -14.018 4.698 -6.147 468 HD3 ARG 61 3HD ARG 61 -13.947 4.911 -4.399 469 HE ARG 61 HE ARG 61 -16.098 5.640 -6.134 470 HH11 ARG 61 1HH1 ARG 61 -14.483 6.437 -3.156 471 HH12 ARG 61 2HH1 ARG 61 -15.880 7.173 -2.442 472 HH21 ARG 61 1HH2 ARG 61 -17.945 6.604 -5.206 473 HH22 ARG 61 2HH2 ARG 61 -17.849 7.266 -3.609 474 H LEU 62 H LEU 62 -9.919 7.668 -4.249 475 HA LEU 62 HA LEU 62 -11.253 10.026 -3.615 476 HB2 LEU 62 2HB LEU 62 -10.089 8.850 -1.913 477 HB3 LEU 62 3HB LEU 62 -8.561 8.976 -2.783 478 HG LEU 62 HG LEU 62 -8.600 11.431 -2.376 479 HD11 LEU 62 1HD1 LEU 62 -11.214 11.185 -1.894 480 HD12 LEU 62 2HD1 LEU 62 -10.238 12.495 -1.232 481 HD13 LEU 62 3HD1 LEU 62 -10.614 11.088 -0.237 482 HD21 LEU 62 1HD2 LEU 62 -7.643 11.251 -0.285 483 HD22 LEU 62 2HD2 LEU 62 -7.548 9.588 -0.866 484 HD23 LEU 62 3HD2 LEU 62 -8.816 10.055 0.268 485 H VAL 63 H VAL 63 -8.204 9.532 -5.335 486 HA VAL 63 HA VAL 63 -7.521 12.272 -5.553 487 HB VAL 63 HB VAL 63 -6.701 9.947 -7.301 488 HG11 VAL 63 1HG1 VAL 63 -6.010 12.818 -7.324 489 HG12 VAL 63 2HG1 VAL 63 -4.670 11.684 -7.507 490 HG13 VAL 63 3HG1 VAL 63 -6.023 11.642 -8.637 491 HG21 VAL 63 1HG2 VAL 63 -5.187 9.389 -5.755 492 HG22 VAL 63 2HG2 VAL 63 -4.735 11.069 -5.468 493 HG23 VAL 63 3HG2 VAL 63 -6.132 10.381 -4.643 494 H ILE 64 H ILE 64 -8.776 10.034 -8.036 495 HA ILE 64 HA ILE 64 -9.262 11.956 -9.997 496 HB ILE 64 HB ILE 64 -10.743 9.365 -9.530 497 HG12 ILE 64 2HG1 ILE 64 -8.535 9.862 -11.517 498 HG13 ILE 64 3HG1 ILE 64 -8.186 9.356 -9.867 499 HG21 ILE 64 1HG2 ILE 64 -10.744 11.321 -11.793 500 HG22 ILE 64 2HG2 ILE 64 -11.048 9.611 -12.088 501 HG23 ILE 64 3HG2 ILE 64 -12.104 10.520 -11.008 502 HD11 ILE 64 1HD1 ILE 64 -8.244 7.325 -10.854 503 HD12 ILE 64 2HD1 ILE 64 -9.962 7.484 -10.492 504 HD13 ILE 64 3HD1 ILE 64 -9.367 7.843 -12.112 505 H CYS 65 H CYS 65 -11.010 11.213 -7.120 506 HA CYS 65 HA CYS 65 -13.528 12.284 -7.925 507 HB2 CYS 65 2HB CYS 65 -12.305 11.330 -5.399 508 HB3 CYS 65 3HB CYS 65 -13.628 12.477 -5.239 509 HG CYS 65 HG CYS 65 -14.020 9.719 -7.191 510 H ASP 66 H ASP 66 -11.183 13.531 -5.543 511 HA ASP 66 HA ASP 66 -12.295 16.118 -5.459 512 HB2 ASP 66 2HB ASP 66 -9.588 15.049 -4.663 513 HB3 ASP 66 3HB ASP 66 -10.053 16.730 -4.418 514 H LEU 67 H LEU 67 -9.633 14.742 -7.329 515 HA LEU 67 HA LEU 67 -8.645 17.101 -8.451 516 HB2 LEU 67 2HB LEU 67 -7.380 15.109 -8.664 517 HB3 LEU 67 3HB LEU 67 -8.710 14.269 -9.459 518 HG LEU 67 HG LEU 67 -8.407 15.853 -11.395 519 HD11 LEU 67 1HD1 LEU 67 -7.234 17.666 -10.500 520 HD12 LEU 67 2HD1 LEU 67 -6.045 16.819 -11.487 521 HD13 LEU 67 3HD1 LEU 67 -6.031 16.628 -9.734 522 HD21 LEU 67 1HD2 LEU 67 -5.833 14.595 -11.416 523 HD22 LEU 67 2HD2 LEU 67 -7.296 14.161 -12.302 524 HD23 LEU 67 3HD2 LEU 67 -7.020 13.516 -10.683 525 H GLN 68 H GLN 68 -11.056 14.827 -9.757 526 HA GLN 68 HA GLN 68 -11.630 16.383 -12.056 527 HB2 GLN 68 2HB GLN 68 -12.106 13.998 -11.994 528 HB3 GLN 68 3HB GLN 68 -13.255 14.236 -10.684 529 HG2 GLN 68 2HG GLN 68 -14.811 15.276 -12.076 530 HG3 GLN 68 3HG GLN 68 -13.613 15.584 -13.333 531 HE21 GLN 68 1HE2 GLN 68 -14.802 12.763 -11.529 532 HE22 GLN 68 2HE2 GLN 68 -15.031 11.760 -12.917 533 H GLU 69 H GLU 69 -13.375 15.939 -8.985 534 HA GLU 69 HA GLU 69 -15.501 17.663 -9.511 535 HB2 GLU 69 2HB GLU 69 -14.170 16.921 -6.905 536 HB3 GLU 69 3HB GLU 69 -15.647 17.869 -6.997 537 HG2 GLU 69 2HG GLU 69 -15.517 15.231 -8.373 538 HG3 GLU 69 3HG GLU 69 -15.742 15.292 -6.627 539 H ARG 70 H ARG 70 -12.215 18.331 -8.600 540 HA ARG 70 HA ARG 70 -12.639 21.014 -7.733 541 HB2 ARG 70 2HB ARG 70 -10.283 19.310 -8.365 542 HB3 ARG 70 3HB ARG 70 -10.050 21.053 -8.387 543 HG2 ARG 70 2HG ARG 70 -10.634 21.261 -6.113 544 HG3 ARG 70 3HG ARG 70 -11.276 19.618 -6.052 545 HD2 ARG 70 2HD ARG 70 -9.019 18.734 -6.427 546 HD3 ARG 70 3HD ARG 70 -8.387 20.380 -6.466 547 HE ARG 70 HE ARG 70 -9.005 18.842 -4.151 548 HH11 ARG 70 1HH1 ARG 70 -8.959 22.084 -5.417 549 HH12 ARG 70 2HH1 ARG 70 -8.763 22.828 -3.864 550 HH21 ARG 70 1HH2 ARG 70 -8.748 19.808 -2.101 551 HH22 ARG 70 2HH2 ARG 70 -8.643 21.532 -1.978 552 H ARG 71 H ARG 71 -10.956 19.803 -10.639 553 HA ARG 71 HA ARG 71 -10.912 22.252 -11.986 554 HB2 ARG 71 2HB ARG 71 -9.938 19.715 -12.462 555 HB3 ARG 71 3HB ARG 71 -11.121 19.925 -13.746 556 HG2 ARG 71 2HG ARG 71 -9.481 20.934 -14.862 557 HG3 ARG 71 3HG ARG 71 -9.769 22.307 -13.792 558 HD2 ARG 71 2HD ARG 71 -8.121 20.530 -12.371 559 HD3 ARG 71 3HD ARG 71 -7.461 20.615 -14.003 560 HE ARG 71 HE ARG 71 -7.993 23.219 -13.165 561 HH11 ARG 71 1HH1 ARG 71 -5.897 20.569 -12.324 562 HH12 ARG 71 2HH1 ARG 71 -4.630 21.589 -11.727 563 HH21 ARG 71 1HH2 ARG 71 -6.333 24.573 -12.381 564 HH22 ARG 71 2HH2 ARG 71 -4.880 23.867 -11.759 565 H GLU 72 H GLU 72 -13.221 19.562 -12.203 566 HA GLU 72 HA GLU 72 -14.841 20.561 -14.229 567 HB2 GLU 72 2HB GLU 72 -14.930 18.271 -13.116 568 HB3 GLU 72 3HB GLU 72 -15.882 19.032 -11.849 569 HG2 GLU 72 2HG GLU 72 -17.654 19.507 -13.319 570 HG3 GLU 72 3HG GLU 72 -16.667 19.167 -14.740 571 H LYS 73 H LYS 73 -15.142 21.008 -10.714 572 HA LYS 73 HA LYS 73 -17.445 22.580 -10.720 573 HB2 LYS 73 2HB LYS 73 -16.551 21.640 -8.671 574 HB3 LYS 73 3HB LYS 73 -15.093 22.611 -8.821 575 HG2 LYS 73 2HG LYS 73 -16.158 24.553 -8.193 576 HG3 LYS 73 3HG LYS 73 -17.752 23.957 -8.667 577 HD2 LYS 73 2HD LYS 73 -16.942 22.189 -6.698 578 HD3 LYS 73 3HD LYS 73 -16.367 23.754 -6.118 579 HE2 LYS 73 2HE LYS 73 -18.657 24.659 -6.522 580 HE3 LYS 73 3HE LYS 73 -19.185 23.021 -6.903 581 HZ1 LYS 73 1HZ LYS 73 -18.026 23.896 -4.313 582 HZ2 LYS 73 2HZ LYS 73 -18.553 22.332 -4.680 583 HZ3 LYS 73 3HZ LYS 73 -19.666 23.605 -4.607 584 H PHE 74 H PHE 74 -14.074 23.453 -11.217 585 HA PHE 74 HA PHE 74 -14.593 26.282 -11.215 586 HB2 PHE 74 2HB PHE 74 -12.351 24.835 -10.798 587 HB3 PHE 74 3HB PHE 74 -12.124 25.258 -12.492 588 HD1 PHE 74 HD1 PHE 74 -12.123 27.676 -13.151 589 HD2 PHE 74 HD2 PHE 74 -11.988 26.404 -9.092 590 HE1 PHE 74 HE1 PHE 74 -11.291 29.894 -12.487 591 HE2 PHE 74 HE2 PHE 74 -11.157 28.620 -8.421 592 HZ PHE 74 HZ PHE 74 -10.808 30.369 -10.120 593 H GLY 75 H GLY 75 -14.664 23.727 -13.531 594 HA2 GLY 75 2HA GLY 75 -16.086 24.779 -15.498 595 HA3 GLY 75 3HA GLY 75 -14.542 25.564 -15.798 596 H SER 76 H SER 76 -14.847 24.411 -17.895 597 HA SER 76 HA SER 76 -14.077 21.579 -17.730 598 HB2 SER 76 2HB SER 76 -15.850 23.063 -19.467 599 HB3 SER 76 3HB SER 76 -14.620 22.223 -20.411 600 HG SER 76 HG SER 76 -16.760 21.216 -19.096 601 H SER 77 H SER 77 -12.273 20.803 -18.779 602 HA SER 77 HA SER 77 -10.638 22.506 -20.425 603 HB2 SER 77 2HB SER 77 -8.991 23.080 -18.981 604 HB3 SER 77 3HB SER 77 -10.213 22.795 -17.740 605 HG SER 77 HG SER 77 -8.384 21.621 -17.221 606 H LYS 78 H LYS 78 -9.388 21.335 -21.774 607 HA LYS 78 HA LYS 78 -9.757 18.535 -21.933 608 HB2 LYS 78 2HB LYS 78 -8.702 20.582 -23.578 609 HB3 LYS 78 3HB LYS 78 -7.443 19.365 -23.413 610 HG2 LYS 78 2HG LYS 78 -8.529 18.520 -25.213 611 HG3 LYS 78 3HG LYS 78 -9.464 17.737 -23.938 612 HD2 LYS 78 2HD LYS 78 -10.766 20.125 -24.214 613 HD3 LYS 78 3HD LYS 78 -10.260 19.789 -25.872 614 HE2 LYS 78 2HE LYS 78 -11.209 17.355 -24.924 615 HE3 LYS 78 3HE LYS 78 -12.335 18.547 -24.277 616 HZ1 LYS 78 1HZ LYS 78 -13.268 18.701 -26.261 617 HZ2 LYS 78 2HZ LYS 78 -12.204 17.539 -26.876 618 HZ3 LYS 78 3HZ LYS 78 -11.802 19.180 -26.955 619 H GLU 79 H GLU 79 -7.493 20.493 -20.253 620 HA GLU 79 HA GLU 79 -5.326 18.690 -20.097 621 HB2 GLU 79 2HB GLU 79 -5.752 21.262 -19.291 622 HB3 GLU 79 3HB GLU 79 -5.778 20.412 -17.752 623 HG2 GLU 79 2HG GLU 79 -3.557 21.111 -18.093 624 HG3 GLU 79 3HG GLU 79 -3.585 19.377 -18.406 625 H ILE 80 H ILE 80 -7.811 19.449 -17.651 626 HA ILE 80 HA ILE 80 -7.116 17.297 -15.951 627 HB ILE 80 HB ILE 80 -8.374 19.324 -15.220 628 HG12 ILE 80 2HG1 ILE 80 -10.217 17.794 -13.997 629 HG13 ILE 80 3HG1 ILE 80 -9.165 16.526 -14.616 630 HG21 ILE 80 1HG2 ILE 80 -10.781 17.992 -16.441 631 HG22 ILE 80 2HG2 ILE 80 -10.699 19.566 -15.652 632 HG23 ILE 80 3HG2 ILE 80 -9.908 19.319 -17.208 633 HD11 ILE 80 1HD1 ILE 80 -8.847 18.050 -12.290 634 HD12 ILE 80 2HD1 ILE 80 -7.729 16.870 -12.976 635 HD13 ILE 80 3HD1 ILE 80 -7.585 18.574 -13.403 636 H ASP 81 H ASP 81 -9.326 17.609 -18.644 637 HA ASP 81 HA ASP 81 -10.912 15.349 -18.242 638 HB2 ASP 81 2HB ASP 81 -10.761 17.287 -20.162 639 HB3 ASP 81 3HB ASP 81 -10.174 15.879 -21.043 640 H MET 82 H MET 82 -7.871 15.666 -20.065 641 HA MET 82 HA MET 82 -7.700 12.928 -20.762 642 HB2 MET 82 2HB MET 82 -6.489 14.771 -21.923 643 HB3 MET 82 3HB MET 82 -5.444 14.924 -20.518 644 HG2 MET 82 2HG MET 82 -4.256 13.081 -21.026 645 HG3 MET 82 3HG MET 82 -5.653 12.228 -21.678 646 HE1 MET 82 1HE MET 82 -4.703 12.019 -25.161 647 HE2 MET 82 2HE MET 82 -3.729 11.375 -23.840 648 HE3 MET 82 3HE MET 82 -5.488 11.382 -23.716 649 H ALA 83 H ALA 83 -6.290 14.833 -18.127 650 HA ALA 83 HA ALA 83 -4.653 12.890 -17.001 651 HB1 ALA 83 1HB ALA 83 -4.242 14.829 -15.938 652 HB2 ALA 83 2HB ALA 83 -5.911 15.382 -16.078 653 HB3 ALA 83 3HB ALA 83 -5.463 14.246 -14.806 654 H ILE 84 H ILE 84 -8.079 13.577 -16.365 655 HA ILE 84 HA ILE 84 -8.449 11.667 -14.342 656 HB ILE 84 HB ILE 84 -10.458 12.737 -16.327 657 HG12 ILE 84 2HG1 ILE 84 -10.303 13.582 -13.467 658 HG13 ILE 84 3HG1 ILE 84 -9.127 14.241 -14.598 659 HG21 ILE 84 1HG2 ILE 84 -11.909 12.105 -14.150 660 HG22 ILE 84 2HG2 ILE 84 -11.687 11.025 -15.525 661 HG23 ILE 84 3HG2 ILE 84 -10.685 10.839 -14.086 662 HD11 ILE 84 1HD1 ILE 84 -11.041 15.716 -14.326 663 HD12 ILE 84 2HD1 ILE 84 -10.932 15.107 -15.979 664 HD13 ILE 84 3HD1 ILE 84 -12.118 14.427 -14.865 665 H VAL 85 H VAL 85 -9.089 11.458 -17.839 666 HA VAL 85 HA VAL 85 -10.084 8.891 -17.975 667 HB VAL 85 HB VAL 85 -8.246 10.225 -19.968 668 HG11 VAL 85 1HG1 VAL 85 -8.394 7.825 -20.347 669 HG12 VAL 85 2HG1 VAL 85 -10.156 7.917 -20.318 670 HG13 VAL 85 3HG1 VAL 85 -9.252 8.709 -21.609 671 HG21 VAL 85 1HG2 VAL 85 -11.098 10.103 -20.562 672 HG22 VAL 85 2HG2 VAL 85 -10.726 11.059 -19.129 673 HG23 VAL 85 3HG2 VAL 85 -9.975 11.458 -20.674 674 H THR 86 H THR 86 -6.731 9.946 -17.748 675 HA THR 86 HA THR 86 -5.535 7.432 -18.234 676 HB THR 86 HB THR 86 -4.483 9.807 -16.688 677 HG1 THR 86 HG1 THR 86 -4.979 9.920 -19.063 678 HG21 THR 86 1HG2 THR 86 -2.377 8.297 -17.784 679 HG22 THR 86 2HG2 THR 86 -3.435 7.148 -16.963 680 HG23 THR 86 3HG2 THR 86 -2.769 8.522 -16.079 681 H LEU 87 H LEU 87 -6.038 9.170 -15.156 682 HA LEU 87 HA LEU 87 -5.170 7.213 -13.421 683 HB2 LEU 87 2HB LEU 87 -7.464 9.130 -13.036 684 HB3 LEU 87 3HB LEU 87 -6.657 8.237 -11.747 685 HG LEU 87 HG LEU 87 -4.931 9.948 -13.430 686 HD11 LEU 87 1HD1 LEU 87 -5.714 11.974 -12.802 687 HD12 LEU 87 2HD1 LEU 87 -6.370 11.375 -11.279 688 HD13 LEU 87 3HD1 LEU 87 -7.251 11.109 -12.783 689 HD21 LEU 87 1HD2 LEU 87 -3.760 10.266 -11.408 690 HD22 LEU 87 2HD2 LEU 87 -4.241 8.569 -11.420 691 HD23 LEU 87 3HD2 LEU 87 -5.133 9.732 -10.438 692 H LYS 88 H LYS 88 -8.206 7.436 -15.140 693 HA LYS 88 HA LYS 88 -9.613 5.467 -13.670 694 HB2 LYS 88 2HB LYS 88 -9.957 6.860 -16.266 695 HB3 LYS 88 3HB LYS 88 -10.797 5.327 -16.083 696 HG2 LYS 88 2HG LYS 88 -12.411 6.373 -14.996 697 HG3 LYS 88 3HG LYS 88 -11.261 6.787 -13.722 698 HD2 LYS 88 2HD LYS 88 -10.917 8.903 -14.531 699 HD3 LYS 88 3HD LYS 88 -11.284 8.442 -16.195 700 HE2 LYS 88 2HE LYS 88 -13.636 8.022 -14.705 701 HE3 LYS 88 3HE LYS 88 -13.001 9.590 -14.207 702 HZ1 LYS 88 1HZ LYS 88 -14.252 8.841 -16.658 703 HZ2 LYS 88 2HZ LYS 88 -12.751 9.572 -16.932 704 HZ3 LYS 88 3HZ LYS 88 -13.938 10.385 -16.041 705 H VAL 89 H VAL 89 -8.016 5.272 -16.856 706 HA VAL 89 HA VAL 89 -8.296 2.472 -17.105 707 HB VAL 89 HB VAL 89 -7.898 3.877 -19.054 708 HG11 VAL 89 1HG1 VAL 89 -5.265 4.434 -17.714 709 HG12 VAL 89 2HG1 VAL 89 -5.532 4.705 -19.437 710 HG13 VAL 89 3HG1 VAL 89 -6.488 5.588 -18.246 711 HG21 VAL 89 1HG2 VAL 89 -6.837 2.240 -20.168 712 HG22 VAL 89 2HG2 VAL 89 -5.416 2.313 -19.127 713 HG23 VAL 89 3HG2 VAL 89 -6.842 1.411 -18.611 714 H PHE 90 H PHE 90 -6.040 4.455 -15.406 715 HA PHE 90 HA PHE 90 -3.892 2.603 -15.264 716 HB2 PHE 90 2HB PHE 90 -4.288 5.238 -14.507 717 HB3 PHE 90 3HB PHE 90 -4.123 4.395 -12.971 718 HD1 PHE 90 HD1 PHE 90 -2.298 6.403 -14.742 719 HD2 PHE 90 HD2 PHE 90 -2.198 2.282 -13.680 720 HE1 PHE 90 HE1 PHE 90 0.147 6.395 -15.016 721 HE2 PHE 90 HE2 PHE 90 0.248 2.268 -13.951 722 HZ PHE 90 HZ PHE 90 1.424 4.327 -14.618 723 H ALA 91 H ALA 91 -6.546 3.398 -13.041 724 HA ALA 91 HA ALA 91 -5.810 1.514 -11.056 725 HB1 ALA 91 1HB ALA 91 -8.618 1.993 -10.986 726 HB2 ALA 91 2HB ALA 91 -7.360 2.616 -9.917 727 HB3 ALA 91 3HB ALA 91 -7.792 3.501 -11.380 728 H VAL 92 H VAL 92 -7.999 1.384 -13.825 729 HA VAL 92 HA VAL 92 -9.029 -1.209 -13.213 730 HB VAL 92 HB VAL 92 -9.039 0.300 -15.831 731 HG11 VAL 92 1HG1 VAL 92 -9.513 -1.836 -16.517 732 HG12 VAL 92 2HG1 VAL 92 -10.232 -2.291 -14.970 733 HG13 VAL 92 3HG1 VAL 92 -11.129 -1.270 -16.096 734 HG21 VAL 92 1HG2 VAL 92 -10.648 0.481 -13.390 735 HG22 VAL 92 2HG2 VAL 92 -10.429 1.647 -14.694 736 HG23 VAL 92 3HG2 VAL 92 -11.592 0.333 -14.873 737 H ALA 93 H ALA 93 -6.978 -0.139 -15.933 738 HA ALA 93 HA ALA 93 -6.188 -2.733 -16.682 739 HB1 ALA 93 1HB ALA 93 -4.597 -0.233 -17.196 740 HB2 ALA 93 2HB ALA 93 -4.671 -1.701 -18.172 741 HB3 ALA 93 3HB ALA 93 -6.071 -0.633 -18.080 742 H GLY 94 H GLY 94 -5.216 -0.768 -14.076 743 HA2 GLY 94 2HA GLY 94 -2.637 -2.132 -13.795 744 HA3 GLY 94 3HA GLY 94 -3.179 -0.747 -12.860 745 H LEU 95 H LEU 95 -5.072 -1.184 -11.385 746 HA LEU 95 HA LEU 95 -4.411 -3.213 -9.575 747 HB2 LEU 95 2HB LEU 95 -6.086 -1.021 -9.596 748 HB3 LEU 95 3HB LEU 95 -7.199 -2.380 -9.451 749 HG LEU 95 HG LEU 95 -6.722 -1.606 -7.255 750 HD11 LEU 95 1HD1 LEU 95 -4.922 -3.987 -7.567 751 HD12 LEU 95 2HD1 LEU 95 -6.671 -4.107 -7.759 752 HD13 LEU 95 3HD1 LEU 95 -5.989 -3.574 -6.223 753 HD21 LEU 95 1HD2 LEU 95 -3.922 -2.089 -7.003 754 HD22 LEU 95 2HD2 LEU 95 -4.819 -0.594 -6.732 755 HD23 LEU 95 3HD2 LEU 95 -4.194 -0.970 -8.339 756 H LEU 96 H LEU 96 -6.982 -3.048 -12.014 757 HA LEU 96 HA LEU 96 -7.828 -5.760 -11.415 758 HB2 LEU 96 2HB LEU 96 -8.948 -3.460 -12.731 759 HB3 LEU 96 3HB LEU 96 -9.070 -4.878 -13.769 760 HG LEU 96 HG LEU 96 -10.168 -4.622 -10.970 761 HD11 LEU 96 1HD1 LEU 96 -12.345 -4.923 -12.247 762 HD12 LEU 96 2HD1 LEU 96 -11.422 -4.527 -13.697 763 HD13 LEU 96 3HD1 LEU 96 -11.548 -3.356 -12.385 764 HD21 LEU 96 1HD2 LEU 96 -11.192 -6.837 -12.455 765 HD22 LEU 96 2HD2 LEU 96 -10.341 -6.832 -10.909 766 HD23 LEU 96 3HD2 LEU 96 -9.431 -6.926 -12.417 767 H ASN 97 H ASN 97 -5.350 -4.458 -13.117 768 HA ASN 97 HA ASN 97 -4.002 -5.144 -14.821 769 HB2 ASN 97 2HB ASN 97 -5.109 -7.831 -13.975 770 HB3 ASN 97 3HB ASN 97 -3.695 -7.603 -15.000 771 HD21 ASN 97 1HD2 ASN 97 -5.015 -7.032 -11.800 772 HD22 ASN 97 2HD2 ASN 97 -3.494 -6.931 -10.987 773 H MET 98 H MET 98 -6.748 -4.400 -15.504 774 HA MET 98 HA MET 98 -7.800 -6.134 -17.468 775 HB2 MET 98 2HB MET 98 -8.365 -3.484 -16.436 776 HB3 MET 98 3HB MET 98 -8.575 -3.546 -18.181 777 HG2 MET 98 2HG MET 98 -9.760 -5.848 -16.918 778 HG3 MET 98 3HG MET 98 -10.385 -4.351 -16.231 779 HE1 MET 98 1HE MET 98 -10.493 -6.882 -18.912 780 HE2 MET 98 2HE MET 98 -11.181 -6.109 -20.340 781 HE3 MET 98 3HE MET 98 -9.494 -5.826 -19.910 782 H THR 99 H THR 99 -7.295 -6.441 -19.549 783 HA THR 99 HA THR 99 -4.994 -5.025 -20.629 784 HB THR 99 HB THR 99 -6.479 -7.169 -22.114 785 HG1 THR 99 HG1 THR 99 -5.463 -8.727 -20.909 786 HG21 THR 99 1HG2 THR 99 -4.682 -7.139 -23.438 787 HG22 THR 99 2HG2 THR 99 -3.594 -7.310 -22.060 788 HG23 THR 99 3HG2 THR 99 -4.140 -5.709 -22.561 789 H VAL 100 H VAL 100 -7.035 -3.270 -20.439 790 HA VAL 100 HA VAL 100 -8.870 -3.041 -22.484 791 HB VAL 100 HB VAL 100 -8.770 -0.601 -22.154 792 HG11 VAL 100 1HG1 VAL 100 -9.437 -2.558 -20.275 793 HG12 VAL 100 2HG1 VAL 100 -8.588 -1.305 -19.369 794 HG13 VAL 100 3HG1 VAL 100 -10.007 -0.891 -20.331 795 HG21 VAL 100 1HG2 VAL 100 -6.176 -1.310 -20.925 796 HG22 VAL 100 2HG2 VAL 100 -6.650 0.133 -21.821 797 HG23 VAL 100 3HG2 VAL 100 -7.110 -0.044 -20.128 798 H SER 101 H SER 101 -8.778 -1.351 -24.274 799 HA SER 101 HA SER 101 -6.255 -1.697 -25.755 800 HB2 SER 101 2HB SER 101 -8.885 -2.344 -26.494 801 HB3 SER 101 3HB SER 101 -8.484 -0.897 -27.418 802 HG SER 101 HG SER 101 -7.095 -3.365 -27.357 803 H THR 102 H THR 102 -8.639 0.575 -24.634 804 HA THR 102 HA THR 102 -6.864 2.771 -25.389 805 HB THR 102 HB THR 102 -8.557 4.105 -26.394 806 HG1 THR 102 HG1 THR 102 -10.737 3.070 -26.624 807 HG21 THR 102 1HG2 THR 102 -7.550 2.399 -27.866 808 HG22 THR 102 2HG2 THR 102 -9.197 2.806 -28.346 809 HG23 THR 102 3HG2 THR 102 -8.877 1.304 -27.478 810 H ALA 103 H ALA 103 -7.230 4.720 -24.186 811 HA ALA 103 HA ALA 103 -7.782 4.301 -21.470 812 HB1 ALA 103 1HB ALA 103 -7.094 6.442 -21.153 813 HB2 ALA 103 2HB ALA 103 -6.474 6.209 -22.788 814 HB3 ALA 103 3HB ALA 103 -8.000 7.057 -22.536 815 H ALA 104 H ALA 104 -9.797 5.414 -24.111 816 HA ALA 104 HA ALA 104 -11.928 6.450 -22.583 817 HB1 ALA 104 1HB ALA 104 -12.470 7.090 -24.640 818 HB2 ALA 104 2HB ALA 104 -11.389 5.894 -25.358 819 HB3 ALA 104 3HB ALA 104 -13.042 5.448 -24.935 820 H ALA 105 H ALA 105 -11.493 3.257 -24.103 821 HA ALA 105 HA ALA 105 -13.881 2.101 -23.254 822 HB1 ALA 105 1HB ALA 105 -11.452 0.396 -23.369 823 HB2 ALA 105 2HB ALA 105 -13.056 0.133 -24.055 824 HB3 ALA 105 3HB ALA 105 -11.936 1.250 -24.834 825 H ALA 106 H ALA 106 -10.698 2.111 -21.672 826 HA ALA 106 HA ALA 106 -11.444 0.563 -19.442 827 HB1 ALA 106 1HB ALA 106 -9.110 1.787 -20.373 828 HB2 ALA 106 2HB ALA 106 -9.401 2.472 -18.774 829 HB3 ALA 106 3HB ALA 106 -9.279 0.724 -18.976 830 H GLU 107 H GLU 107 -11.561 4.030 -20.067 831 HA GLU 107 HA GLU 107 -12.181 4.847 -17.439 832 HB2 GLU 107 2HB GLU 107 -11.409 6.484 -19.002 833 HB3 GLU 107 3HB GLU 107 -12.712 6.118 -20.124 834 HG2 GLU 107 2HG GLU 107 -13.642 6.951 -17.489 835 HG3 GLU 107 3HG GLU 107 -12.685 8.172 -18.326 836 H ASN 108 H ASN 108 -14.253 4.133 -20.236 837 HA ASN 108 HA ASN 108 -16.713 4.727 -19.084 838 HB2 ASN 108 2HB ASN 108 -15.768 3.145 -21.377 839 HB3 ASN 108 3HB ASN 108 -17.322 2.627 -20.731 840 HD21 ASN 108 1HD2 ASN 108 -15.930 4.540 -22.958 841 HD22 ASN 108 2HD2 ASN 108 -17.165 5.732 -23.150 842 H MET 109 H MET 109 -14.927 1.658 -19.112 843 HA MET 109 HA MET 109 -16.869 0.196 -17.659 844 HB2 MET 109 2HB MET 109 -15.056 -0.802 -19.071 845 HB3 MET 109 3HB MET 109 -13.902 -0.353 -17.822 846 HG2 MET 109 2HG MET 109 -15.835 -1.729 -16.430 847 HG3 MET 109 3HG MET 109 -15.727 -2.604 -17.956 848 HE1 MET 109 1HE MET 109 -12.663 -2.428 -14.593 849 HE2 MET 109 2HE MET 109 -13.225 -0.905 -15.282 850 HE3 MET 109 3HE MET 109 -14.379 -2.020 -14.547 851 H TYR 110 H TYR 110 -14.034 2.064 -16.711 852 HA TYR 110 HA TYR 110 -13.820 1.308 -14.051 853 HB2 TYR 110 2HB TYR 110 -12.115 2.681 -14.992 854 HB3 TYR 110 3HB TYR 110 -13.266 3.947 -15.406 855 HD1 TYR 110 HD1 TYR 110 -14.152 5.438 -13.674 856 HD2 TYR 110 HD2 TYR 110 -11.233 2.480 -12.758 857 HE1 TYR 110 HE1 TYR 110 -13.686 6.568 -11.539 858 HE2 TYR 110 HE2 TYR 110 -10.761 3.600 -10.620 859 HH TYR 110 HH TYR 110 -12.521 6.533 -9.653 860 H SER 111 H SER 111 -15.844 3.834 -15.499 861 HA SER 111 HA SER 111 -17.045 4.474 -12.941 862 HB2 SER 111 2HB SER 111 -18.561 5.778 -14.823 863 HB3 SER 111 3HB SER 111 -17.120 6.440 -14.053 864 HG SER 111 HG SER 111 -17.262 6.378 -16.475 865 H GLN 112 H GLN 112 -17.733 2.519 -15.721 866 HA GLN 112 HA GLN 112 -20.509 2.256 -15.476 867 HB2 GLN 112 2HB GLN 112 -19.292 1.475 -17.441 868 HB3 GLN 112 3HB GLN 112 -18.476 0.254 -16.473 869 HG2 GLN 112 2HG GLN 112 -20.112 -1.171 -16.875 870 HG3 GLN 112 3HG GLN 112 -21.267 -0.077 -16.116 871 HE21 GLN 112 1HE2 GLN 112 -21.323 -1.884 -18.538 872 HE22 GLN 112 2HE2 GLN 112 -21.933 -0.876 -19.802 873 H MET 113 H MET 113 -17.895 0.273 -14.102 874 HA MET 113 HA MET 113 -19.828 -1.190 -12.484 875 HB2 MET 113 2HB MET 113 -17.944 -2.605 -11.852 876 HB3 MET 113 3HB MET 113 -18.034 -2.443 -13.601 877 HG2 MET 113 2HG MET 113 -16.082 -1.316 -13.739 878 HG3 MET 113 3HG MET 113 -16.305 -0.517 -12.184 879 HE1 MET 113 1HE MET 113 -15.786 -4.858 -12.621 880 HE2 MET 113 2HE MET 113 -15.959 -3.710 -13.948 881 HE3 MET 113 3HE MET 113 -14.354 -4.247 -13.451 882 H GLY 114 H GLY 114 -18.800 1.733 -12.151 883 HA2 GLY 114 2HA GLY 114 -18.309 3.153 -10.411 884 HA3 GLY 114 3HA GLY 114 -19.186 1.990 -9.429 885 H LEU 115 H LEU 115 -16.267 1.117 -11.124 886 HA LEU 115 HA LEU 115 -14.236 0.398 -10.397 887 HB2 LEU 115 2HB LEU 115 -14.120 2.824 -9.785 888 HB3 LEU 115 3HB LEU 115 -14.628 2.376 -8.158 889 HG LEU 115 HG LEU 115 -12.592 1.142 -7.805 890 HD11 LEU 115 1HD1 LEU 115 -11.846 0.131 -9.682 891 HD12 LEU 115 2HD1 LEU 115 -10.843 1.577 -9.786 892 HD13 LEU 115 3HD1 LEU 115 -12.330 1.466 -10.729 893 HD21 LEU 115 1HD2 LEU 115 -12.618 3.962 -8.522 894 HD22 LEU 115 2HD2 LEU 115 -11.019 3.231 -8.672 895 HD23 LEU 115 3HD2 LEU 115 -11.885 3.151 -7.137 896 H ASP 116 H ASP 116 -16.169 -1.316 -9.715 897 HA ASP 116 HA ASP 116 -15.135 -2.472 -7.273 898 HB2 ASP 116 2HB ASP 116 -17.160 -0.893 -6.757 899 HB3 ASP 116 3HB ASP 116 -18.118 -2.216 -7.417 900 H THR 117 H THR 117 -14.399 -4.109 -8.650 901 HA THR 117 HA THR 117 -15.959 -5.488 -10.527 902 HB THR 117 HB THR 117 -13.530 -5.677 -10.514 903 HG1 THR 117 HG1 THR 117 -14.575 -7.415 -11.466 904 HG21 THR 117 1HG2 THR 117 -13.181 -7.637 -8.451 905 HG22 THR 117 2HG2 THR 117 -13.880 -6.172 -7.760 906 HG23 THR 117 3HG2 THR 117 -12.366 -6.087 -8.660 907 H ARG 118 H ARG 118 -15.784 -5.728 -7.074 908 HA ARG 118 HA ARG 118 -16.667 -8.304 -6.600 909 HB2 ARG 118 2HB ARG 118 -16.877 -5.720 -5.147 910 HB3 ARG 118 3HB ARG 118 -17.930 -7.025 -4.615 911 HG2 ARG 118 2HG ARG 118 -16.046 -8.446 -4.180 912 HG3 ARG 118 3HG ARG 118 -14.941 -7.260 -4.878 913 HD2 ARG 118 2HD ARG 118 -16.674 -6.304 -2.686 914 HD3 ARG 118 3HD ARG 118 -15.432 -7.474 -2.242 915 HE ARG 118 HE ARG 118 -14.266 -5.475 -3.824 916 HH11 ARG 118 1HH1 ARG 118 -15.676 -5.903 -0.670 917 HH12 ARG 118 2HH1 ARG 118 -14.732 -4.651 0.066 918 HH21 ARG 118 1HH2 ARG 118 -13.017 -3.824 -2.867 919 HH22 ARG 118 2HH2 ARG 118 -13.220 -3.469 -1.184 920 HA PRO 119 HA PRO 119 -20.833 -8.623 -7.936 921 HB2 PRO 119 2HB PRO 119 -21.987 -10.044 -5.931 922 HB3 PRO 119 3HB PRO 119 -20.846 -10.755 -7.080 923 HG2 PRO 119 2HG PRO 119 -20.365 -9.779 -4.291 924 HG3 PRO 119 3HG PRO 119 -19.769 -11.251 -5.079 925 HD2 PRO 119 2HD PRO 119 -18.242 -9.034 -4.787 926 HD3 PRO 119 3HD PRO 119 -18.077 -10.131 -6.174 Start of MODEL 6 1 H1 GLY 2 H GLY 2 8.524 0.320 1.586 2 HA2 GLY 2 2HA GLY 2 6.482 1.418 3.365 3 HA3 GLY 2 3HA GLY 2 7.632 2.341 2.410 4 H ASN 3 H ASN 3 7.105 2.974 0.353 5 HA ASN 3 HA ASN 3 4.646 1.997 -0.856 6 HB2 ASN 3 2HB ASN 3 4.492 4.236 0.713 7 HB3 ASN 3 3HB ASN 3 4.788 4.934 -0.877 8 HD21 ASN 3 1HD2 ASN 3 3.030 5.413 -1.955 9 HD22 ASN 3 2HD2 ASN 3 1.505 4.608 -1.839 10 H LEU 4 H LEU 4 4.304 3.508 -2.964 11 HA LEU 4 HA LEU 4 5.056 3.850 -5.085 12 HB2 LEU 4 2HB LEU 4 6.334 5.598 -3.459 13 HB3 LEU 4 3HB LEU 4 7.705 4.786 -4.211 14 HG LEU 4 HG LEU 4 5.519 6.333 -5.598 15 HD11 LEU 4 1HD1 LEU 4 7.172 7.752 -4.568 16 HD12 LEU 4 2HD1 LEU 4 7.414 7.748 -6.314 17 HD13 LEU 4 3HD1 LEU 4 8.479 6.803 -5.275 18 HD21 LEU 4 1HD2 LEU 4 7.823 4.786 -6.781 19 HD22 LEU 4 2HD2 LEU 4 6.734 5.850 -7.670 20 HD23 LEU 4 3HD2 LEU 4 6.113 4.378 -6.922 21 H LYS 5 H LYS 5 5.533 1.258 -3.995 22 HA LYS 5 HA LYS 5 8.065 0.213 -4.333 23 HB2 LYS 5 2HB LYS 5 5.405 -1.062 -4.991 24 HB3 LYS 5 3HB LYS 5 6.924 -1.938 -4.860 25 HG2 LYS 5 2HG LYS 5 6.700 -0.474 -2.490 26 HG3 LYS 5 3HG LYS 5 5.093 -1.136 -2.799 27 HD2 LYS 5 2HD LYS 5 6.307 -2.731 -1.495 28 HD3 LYS 5 3HD LYS 5 6.166 -3.370 -3.134 29 HE2 LYS 5 2HE LYS 5 8.393 -3.175 -3.544 30 HE3 LYS 5 3HE LYS 5 8.566 -1.745 -2.528 31 HZ1 LYS 5 1HZ LYS 5 8.520 -4.584 -1.716 32 HZ2 LYS 5 2HZ LYS 5 8.189 -3.353 -0.604 33 HZ3 LYS 5 3HZ LYS 5 9.689 -3.407 -1.383 34 H SER 6 H SER 6 9.397 0.353 -6.004 35 HA SER 6 HA SER 6 8.659 1.138 -8.590 36 HB2 SER 6 2HB SER 6 10.991 0.231 -9.192 37 HB3 SER 6 3HB SER 6 10.908 1.521 -7.993 38 HG SER 6 HG SER 6 11.764 0.211 -6.604 39 H ARG 7 H ARG 7 8.644 -1.949 -7.064 40 HA ARG 7 HA ARG 7 8.832 -3.587 -9.364 41 HB2 ARG 7 2HB ARG 7 8.855 -4.085 -6.717 42 HB3 ARG 7 3HB ARG 7 7.192 -4.528 -7.081 43 HG2 ARG 7 2HG ARG 7 8.190 -6.537 -7.413 44 HG3 ARG 7 3HG ARG 7 8.361 -5.869 -9.038 45 HD2 ARG 7 2HD ARG 7 10.621 -5.300 -8.672 46 HD3 ARG 7 3HD ARG 7 10.478 -5.540 -6.931 47 HE ARG 7 HE ARG 7 10.880 -7.766 -7.249 48 HH11 ARG 7 1HH1 ARG 7 9.948 -6.343 -10.287 49 HH12 ARG 7 2HH1 ARG 7 10.282 -7.771 -11.208 50 HH21 ARG 7 1HH2 ARG 7 11.322 -9.654 -8.450 51 HH22 ARG 7 2HH2 ARG 7 11.062 -9.655 -10.162 52 H ASP 8 H ASP 8 5.971 -2.721 -7.413 53 HA ASP 8 HA ASP 8 4.154 -3.668 -9.412 54 HB2 ASP 8 2HB ASP 8 3.858 -2.216 -6.802 55 HB3 ASP 8 3HB ASP 8 2.481 -2.368 -7.890 56 H TRP 9 H TRP 9 5.680 -0.643 -8.691 57 HA TRP 9 HA TRP 9 3.867 1.059 -10.051 58 HB2 TRP 9 2HB TRP 9 5.371 2.061 -8.496 59 HB3 TRP 9 3HB TRP 9 6.773 1.360 -9.298 60 HD1 TRP 9 HD1 TRP 9 8.080 3.358 -10.236 61 HE1 TRP 9 HE1 TRP 9 7.511 5.405 -11.691 62 HE3 TRP 9 HE3 TRP 9 3.004 2.796 -10.480 63 HZ2 TRP 9 HZ2 TRP 9 5.215 6.619 -12.795 64 HZ3 TRP 9 HZ3 TRP 9 1.695 4.443 -11.754 65 HH2 TRP 9 HH2 TRP 9 2.778 6.315 -12.887 66 H LYS 10 H LYS 10 7.103 -0.081 -11.037 67 HA LYS 10 HA LYS 10 6.884 0.809 -13.700 68 HB2 LYS 10 2HB LYS 10 9.049 0.350 -12.723 69 HB3 LYS 10 3HB LYS 10 8.622 -1.338 -12.474 70 HG2 LYS 10 2HG LYS 10 8.473 -1.630 -14.919 71 HG3 LYS 10 3HG LYS 10 9.000 0.043 -15.123 72 HD2 LYS 10 2HD LYS 10 10.811 -1.263 -13.357 73 HD3 LYS 10 3HD LYS 10 10.590 -2.282 -14.781 74 HE2 LYS 10 2HE LYS 10 12.332 -0.897 -15.419 75 HE3 LYS 10 3HE LYS 10 10.927 -0.081 -16.104 76 HZ1 LYS 10 1HZ LYS 10 12.650 0.725 -13.890 77 HZ2 LYS 10 2HZ LYS 10 11.008 1.107 -13.761 78 HZ3 LYS 10 3HZ LYS 10 11.906 1.669 -15.081 79 H MET 11 H MET 11 6.203 -2.313 -12.183 80 HA MET 11 HA MET 11 5.691 -3.772 -14.522 81 HB2 MET 11 2HB MET 11 5.996 -4.742 -12.240 82 HB3 MET 11 3HB MET 11 4.391 -4.159 -11.821 83 HG2 MET 11 2HG MET 11 3.475 -5.543 -13.671 84 HG3 MET 11 3HG MET 11 5.090 -6.208 -13.907 85 HE1 MET 11 1HE MET 11 1.920 -6.202 -12.462 86 HE2 MET 11 2HE MET 11 1.841 -7.751 -11.621 87 HE3 MET 11 3HE MET 11 2.162 -6.271 -10.717 88 H ALA 12 H ALA 12 3.469 -1.998 -12.384 89 HA ALA 12 HA ALA 12 1.090 -2.562 -13.711 90 HB1 ALA 12 1HB ALA 12 0.259 -0.436 -12.699 91 HB2 ALA 12 2HB ALA 12 1.039 -1.531 -11.557 92 HB3 ALA 12 3HB ALA 12 1.905 -0.116 -12.153 93 H ILE 13 H ILE 13 3.362 0.122 -14.222 94 HA ILE 13 HA ILE 13 1.952 1.504 -16.176 95 HB ILE 13 HB ILE 13 4.947 1.181 -15.947 96 HG12 ILE 13 2HG1 ILE 13 3.417 3.585 -15.035 97 HG13 ILE 13 3HG1 ILE 13 3.450 2.155 -14.008 98 HG21 ILE 13 1HG2 ILE 13 3.343 2.483 -17.921 99 HG22 ILE 13 2HG2 ILE 13 4.247 3.693 -17.012 100 HG23 ILE 13 3HG2 ILE 13 5.099 2.372 -17.813 101 HD11 ILE 13 1HD1 ILE 13 5.381 4.195 -14.241 102 HD12 ILE 13 2HD1 ILE 13 5.428 2.750 -13.231 103 HD13 ILE 13 3HD1 ILE 13 6.101 2.710 -14.861 104 H LYS 14 H LYS 14 4.278 -1.153 -16.550 105 HA LYS 14 HA LYS 14 4.357 -1.252 -19.330 106 HB2 LYS 14 2HB LYS 14 5.145 -2.948 -17.130 107 HB3 LYS 14 3HB LYS 14 4.496 -3.915 -18.447 108 HG2 LYS 14 2HG LYS 14 6.238 -3.482 -19.803 109 HG3 LYS 14 3HG LYS 14 6.410 -1.821 -19.231 110 HD2 LYS 14 2HD LYS 14 7.488 -2.616 -17.198 111 HD3 LYS 14 3HD LYS 14 7.272 -4.289 -17.719 112 HE2 LYS 14 2HE LYS 14 8.542 -3.143 -19.866 113 HE3 LYS 14 3HE LYS 14 9.287 -2.322 -18.495 114 HZ1 LYS 14 1HZ LYS 14 9.034 -5.269 -18.658 115 HZ2 LYS 14 2HZ LYS 14 9.986 -4.368 -17.589 116 HZ3 LYS 14 3HZ LYS 14 10.389 -4.433 -19.231 117 H ARG 15 H ARG 15 2.175 -2.932 -17.083 118 HA ARG 15 HA ARG 15 0.710 -4.291 -19.088 119 HB2 ARG 15 2HB ARG 15 0.570 -3.936 -16.199 120 HB3 ARG 15 3HB ARG 15 -1.023 -3.992 -16.943 121 HG2 ARG 15 2HG ARG 15 -0.393 -6.201 -16.272 122 HG3 ARG 15 3HG ARG 15 -0.394 -6.119 -18.035 123 HD2 ARG 15 2HD ARG 15 2.108 -5.625 -17.827 124 HD3 ARG 15 3HD ARG 15 1.951 -6.174 -16.159 125 HE ARG 15 HE ARG 15 0.845 -8.187 -17.604 126 HH11 ARG 15 1HH1 ARG 15 3.903 -6.526 -17.713 127 HH12 ARG 15 2HH1 ARG 15 4.776 -7.899 -18.308 128 HH21 ARG 15 1HH2 ARG 15 1.984 -10.002 -18.387 129 HH22 ARG 15 2HH2 ARG 15 3.682 -9.876 -18.692 130 H CYS 16 H CYS 16 0.156 -1.252 -17.347 131 HA CYS 16 HA CYS 16 -2.356 -0.677 -18.486 132 HB2 CYS 16 2HB CYS 16 -0.249 1.166 -17.342 133 HB3 CYS 16 3HB CYS 16 -1.881 1.670 -17.764 134 HG CYS 16 HG CYS 16 -0.815 -0.149 -15.128 135 H SER 17 H SER 17 0.864 -0.386 -19.692 136 HA SER 17 HA SER 17 0.609 1.641 -21.572 137 HB2 SER 17 2HB SER 17 2.679 0.211 -20.891 138 HB3 SER 17 3HB SER 17 2.161 -0.856 -22.197 139 HG SER 17 HG SER 17 3.673 0.774 -22.857 140 H ASN 18 H ASN 18 -0.689 -1.568 -21.572 141 HA ASN 18 HA ASN 18 -1.101 -2.032 -24.276 142 HB2 ASN 18 2HB ASN 18 -2.468 -2.894 -21.772 143 HB3 ASN 18 3HB ASN 18 -3.298 -3.187 -23.298 144 HD21 ASN 18 1HD2 ASN 18 -0.668 -4.055 -21.259 145 HD22 ASN 18 2HD2 ASN 18 -0.104 -5.397 -22.191 146 H VAL 19 H VAL 19 -2.712 0.165 -22.122 147 HA VAL 19 HA VAL 19 -5.112 0.595 -23.462 148 HB VAL 19 HB VAL 19 -4.507 1.547 -21.232 149 HG11 VAL 19 1HG1 VAL 19 -3.280 3.899 -22.567 150 HG12 VAL 19 2HG1 VAL 19 -3.028 3.259 -20.941 151 HG13 VAL 19 3HG1 VAL 19 -2.277 2.468 -22.328 152 HG21 VAL 19 1HG2 VAL 19 -5.518 3.527 -23.271 153 HG22 VAL 19 2HG2 VAL 19 -6.487 2.304 -22.450 154 HG23 VAL 19 3HG2 VAL 19 -5.765 3.622 -21.528 155 H ALA 20 H ALA 20 -5.776 2.117 -25.003 156 HA ALA 20 HA ALA 20 -3.638 2.967 -26.831 157 HB1 ALA 20 1HB ALA 20 -5.440 1.446 -27.677 158 HB2 ALA 20 2HB ALA 20 -6.580 2.770 -27.439 159 HB3 ALA 20 3HB ALA 20 -5.249 2.947 -28.584 160 H VAL 21 H VAL 21 -3.529 5.064 -27.614 161 HA VAL 21 HA VAL 21 -4.176 7.139 -25.875 162 HB VAL 21 HB VAL 21 -3.584 8.676 -27.675 163 HG11 VAL 21 1HG1 VAL 21 -1.713 6.360 -27.981 164 HG12 VAL 21 2HG1 VAL 21 -1.350 8.082 -27.838 165 HG13 VAL 21 3HG1 VAL 21 -1.885 7.172 -26.425 166 HG21 VAL 21 1HG2 VAL 21 -3.020 7.784 -29.918 167 HG22 VAL 21 2HG2 VAL 21 -3.697 6.229 -29.434 168 HG23 VAL 21 3HG2 VAL 21 -4.735 7.651 -29.528 169 H GLY 22 H GLY 22 -6.067 5.623 -28.350 170 HA2 GLY 22 2HA GLY 22 -8.535 6.353 -27.611 171 HA3 GLY 22 3HA GLY 22 -8.000 7.789 -28.473 172 H VAL 23 H VAL 23 -10.027 7.027 -29.689 173 HA VAL 23 HA VAL 23 -9.604 4.829 -31.521 174 HB VAL 23 HB VAL 23 -11.802 5.351 -32.404 175 HG11 VAL 23 1HG1 VAL 23 -12.697 4.263 -30.688 176 HG12 VAL 23 2HG1 VAL 23 -11.244 4.616 -29.751 177 HG13 VAL 23 3HG1 VAL 23 -12.627 5.709 -29.682 178 HG21 VAL 23 1HG2 VAL 23 -12.138 7.598 -32.519 179 HG22 VAL 23 2HG2 VAL 23 -13.001 7.278 -31.014 180 HG23 VAL 23 3HG2 VAL 23 -11.354 7.907 -30.969 181 H GLY 24 H GLY 24 -9.254 8.286 -31.507 182 HA2 GLY 24 2HA GLY 24 -9.404 8.928 -34.192 183 HA3 GLY 24 3HA GLY 24 -8.324 9.713 -33.048 184 H GLY 25 H GLY 25 -6.859 7.219 -32.496 185 HA2 GLY 25 2HA GLY 25 -5.186 7.276 -34.910 186 HA3 GLY 25 3HA GLY 25 -4.660 6.782 -33.307 187 H LYS 26 H LYS 26 -4.192 5.313 -35.677 188 HA LYS 26 HA LYS 26 -6.028 3.244 -36.130 189 HB2 LYS 26 2HB LYS 26 -3.032 3.367 -36.478 190 HB3 LYS 26 3HB LYS 26 -4.001 1.992 -36.994 191 HG2 LYS 26 2HG LYS 26 -4.662 4.751 -37.938 192 HG3 LYS 26 3HG LYS 26 -3.378 3.814 -38.709 193 HD2 LYS 26 2HD LYS 26 -5.516 2.043 -38.491 194 HD3 LYS 26 3HD LYS 26 -6.251 3.576 -38.967 195 HE2 LYS 26 2HE LYS 26 -5.671 2.322 -40.942 196 HE3 LYS 26 3HE LYS 26 -4.622 3.734 -40.821 197 HZ1 LYS 26 1HZ LYS 26 -3.738 1.259 -41.264 198 HZ2 LYS 26 2HZ LYS 26 -3.608 1.320 -39.579 199 HZ3 LYS 26 3HZ LYS 26 -2.808 2.467 -40.531 200 H SER 27 H SER 27 -3.162 3.337 -34.021 201 HA SER 27 HA SER 27 -4.311 1.844 -31.957 202 HB2 SER 27 2HB SER 27 -2.879 -0.270 -32.304 203 HB3 SER 27 3HB SER 27 -4.342 -0.108 -33.275 204 HG SER 27 HG SER 27 -1.704 -0.126 -34.049 205 H LYS 28 H LYS 28 -3.132 3.829 -31.241 206 HA LYS 28 HA LYS 28 -0.246 3.396 -30.934 207 HB2 LYS 28 2HB LYS 28 -1.950 5.856 -30.528 208 HB3 LYS 28 3HB LYS 28 -0.231 5.783 -30.164 209 HG2 LYS 28 2HG LYS 28 -0.761 4.861 -32.843 210 HG3 LYS 28 3HG LYS 28 -1.411 6.481 -32.581 211 HD2 LYS 28 2HD LYS 28 0.692 7.113 -33.110 212 HD3 LYS 28 3HD LYS 28 1.005 6.742 -31.412 213 HE2 LYS 28 2HE LYS 28 1.796 4.541 -31.995 214 HE3 LYS 28 3HE LYS 28 1.352 4.787 -33.683 215 HZ1 LYS 28 1HZ LYS 28 3.061 6.316 -33.987 216 HZ2 LYS 28 2HZ LYS 28 3.777 5.108 -33.045 217 HZ3 LYS 28 3HZ LYS 28 3.288 6.560 -32.328 218 H LYS 29 H LYS 29 0.478 2.581 -29.092 219 HA LYS 29 HA LYS 29 -1.260 2.439 -26.775 220 HB2 LYS 29 2HB LYS 29 0.597 1.070 -25.810 221 HB3 LYS 29 3HB LYS 29 -0.055 0.437 -27.316 222 HG2 LYS 29 2HG LYS 29 2.174 2.233 -27.768 223 HG3 LYS 29 3HG LYS 29 2.607 0.876 -26.724 224 HD2 LYS 29 2HD LYS 29 1.362 -0.546 -28.517 225 HD3 LYS 29 3HD LYS 29 1.628 0.860 -29.551 226 HE2 LYS 29 2HE LYS 29 4.070 0.707 -28.882 227 HE3 LYS 29 3HE LYS 29 3.682 -0.868 -28.191 228 HZ1 LYS 29 1HZ LYS 29 4.008 -0.102 -30.946 229 HZ2 LYS 29 2HZ LYS 29 2.619 -1.024 -30.667 230 HZ3 LYS 29 3HZ LYS 29 4.136 -1.627 -30.225 231 H PHE 30 H PHE 30 -0.818 3.312 -24.752 232 HA PHE 30 HA PHE 30 0.316 5.860 -24.681 233 HB2 PHE 30 2HB PHE 30 -0.901 4.024 -22.789 234 HB3 PHE 30 3HB PHE 30 0.409 4.938 -22.050 235 HD1 PHE 30 HD1 PHE 30 0.006 7.064 -21.244 236 HD2 PHE 30 HD2 PHE 30 -2.646 5.394 -24.124 237 HE1 PHE 30 HE1 PHE 30 -1.491 8.998 -20.980 238 HE2 PHE 30 HE2 PHE 30 -4.148 7.326 -23.866 239 HZ PHE 30 HZ PHE 30 -3.572 9.131 -22.292 240 H GLY 31 H GLY 31 1.996 6.277 -22.714 241 HA2 GLY 31 2HA GLY 31 4.262 4.434 -22.993 242 HA3 GLY 31 3HA GLY 31 4.494 6.113 -23.456 243 H GLU 32 H GLU 32 6.110 5.091 -21.550 244 HA GLU 32 HA GLU 32 5.243 5.256 -18.900 245 HB2 GLU 32 2HB GLU 32 7.647 5.654 -18.357 246 HB3 GLU 32 3HB GLU 32 7.372 4.270 -19.404 247 HG2 GLU 32 2HG GLU 32 7.947 5.714 -21.349 248 HG3 GLU 32 3HG GLU 32 8.387 6.983 -20.208 249 H GLY 33 H GLY 33 6.605 7.754 -21.024 250 HA2 GLY 33 2HA GLY 33 6.652 9.819 -19.099 251 HA3 GLY 33 3HA GLY 33 6.653 10.043 -20.842 252 H ASN 34 H ASN 34 4.117 8.631 -21.209 253 HA ASN 34 HA ASN 34 2.376 10.854 -20.892 254 HB2 ASN 34 2HB ASN 34 1.773 7.991 -21.665 255 HB3 ASN 34 3HB ASN 34 0.642 9.335 -21.806 256 HD21 ASN 34 1HD2 ASN 34 0.677 10.538 -23.590 257 HD22 ASN 34 2HD2 ASN 34 1.860 10.423 -24.844 258 H PHE 35 H PHE 35 2.572 7.679 -19.317 259 HA PHE 35 HA PHE 35 0.344 8.050 -17.621 260 HB2 PHE 35 2HB PHE 35 2.751 6.236 -17.433 261 HB3 PHE 35 3HB PHE 35 1.431 6.194 -16.269 262 HD1 PHE 35 HD1 PHE 35 -0.914 6.537 -17.982 263 HD2 PHE 35 HD2 PHE 35 2.618 4.243 -18.595 264 HE1 PHE 35 HE1 PHE 35 -2.164 5.013 -19.454 265 HE2 PHE 35 HE2 PHE 35 1.374 2.716 -20.069 266 HZ PHE 35 HZ PHE 35 -1.021 3.100 -20.501 267 H ARG 36 H ARG 36 3.695 8.985 -17.389 268 HA ARG 36 HA ARG 36 3.747 9.527 -14.608 269 HB2 ARG 36 2HB ARG 36 5.542 9.728 -16.820 270 HB3 ARG 36 3HB ARG 36 5.543 11.265 -15.964 271 HG2 ARG 36 2HG ARG 36 6.062 10.109 -13.878 272 HG3 ARG 36 3HG ARG 36 6.054 8.565 -14.733 273 HD2 ARG 36 2HD ARG 36 8.329 9.303 -14.469 274 HD3 ARG 36 3HD ARG 36 7.885 9.405 -16.173 275 HE ARG 36 HE ARG 36 7.393 11.889 -14.991 276 HH11 ARG 36 1HH1 ARG 36 10.081 9.823 -15.784 277 HH12 ARG 36 2HH1 ARG 36 11.196 11.132 -15.988 278 HH21 ARG 36 1HH2 ARG 36 8.852 13.622 -15.255 279 HH22 ARG 36 2HH2 ARG 36 10.497 13.293 -15.685 280 H TRP 37 H TRP 37 3.614 11.792 -17.364 281 HA TRP 37 HA TRP 37 3.085 14.086 -15.869 282 HB2 TRP 37 2HB TRP 37 3.767 14.340 -18.138 283 HB3 TRP 37 3HB TRP 37 2.422 13.367 -18.724 284 HD1 TRP 37 HD1 TRP 37 3.375 16.900 -17.867 285 HE1 TRP 37 HE1 TRP 37 1.382 18.466 -18.320 286 HE3 TRP 37 HE3 TRP 37 -0.261 13.388 -18.627 287 HZ2 TRP 37 HZ2 TRP 37 -1.367 18.241 -18.918 288 HZ3 TRP 37 HZ3 TRP 37 -2.546 14.146 -19.134 289 HH2 TRP 37 HH2 TRP 37 -3.085 16.523 -19.275 290 H ALA 38 H ALA 38 0.952 11.564 -17.006 291 HA ALA 38 HA ALA 38 -1.483 12.978 -16.538 292 HB1 ALA 38 1HB ALA 38 -1.247 9.988 -16.563 293 HB2 ALA 38 2HB ALA 38 -2.586 11.002 -17.105 294 HB3 ALA 38 3HB ALA 38 -1.093 10.935 -18.044 295 H ILE 39 H ILE 39 -0.135 10.140 -14.840 296 HA ILE 39 HA ILE 39 -1.814 10.249 -12.629 297 HB ILE 39 HB ILE 39 1.032 9.246 -12.759 298 HG12 ILE 39 2HG1 ILE 39 -1.586 7.746 -12.969 299 HG13 ILE 39 3HG1 ILE 39 -0.574 8.186 -14.341 300 HG21 ILE 39 1HG2 ILE 39 -0.763 9.529 -10.538 301 HG22 ILE 39 2HG2 ILE 39 -0.430 7.823 -10.839 302 HG23 ILE 39 3HG2 ILE 39 0.901 8.946 -10.564 303 HD11 ILE 39 1HD1 ILE 39 -0.468 5.835 -12.931 304 HD12 ILE 39 2HD1 ILE 39 0.778 6.453 -14.017 305 HD13 ILE 39 3HD1 ILE 39 0.890 6.755 -12.282 306 H ARG 40 H ARG 40 1.419 11.671 -13.045 307 HA ARG 40 HA ARG 40 1.695 12.767 -10.498 308 HB2 ARG 40 2HB ARG 40 3.514 12.621 -12.169 309 HB3 ARG 40 3HB ARG 40 2.737 13.891 -13.104 310 HG2 ARG 40 2HG ARG 40 3.079 15.474 -11.316 311 HG3 ARG 40 3HG ARG 40 3.747 14.206 -10.285 312 HD2 ARG 40 2HD ARG 40 5.123 14.280 -12.810 313 HD3 ARG 40 3HD ARG 40 5.129 15.876 -12.063 314 HE ARG 40 HE ARG 40 5.822 14.005 -10.110 315 HH11 ARG 40 1HH1 ARG 40 7.091 15.315 -13.077 316 HH12 ARG 40 2HH1 ARG 40 8.747 15.078 -12.625 317 HH21 ARG 40 1HH2 ARG 40 7.998 13.688 -9.504 318 HH22 ARG 40 2HH2 ARG 40 9.262 14.152 -10.594 319 H MET 41 H MET 41 0.359 14.236 -13.449 320 HA MET 41 HA MET 41 -0.200 16.762 -12.473 321 HB2 MET 41 2HB MET 41 -0.447 16.276 -14.815 322 HB3 MET 41 3HB MET 41 -1.707 15.093 -14.488 323 HG2 MET 41 2HG MET 41 -3.285 16.645 -14.539 324 HG3 MET 41 3HG MET 41 -2.408 17.664 -13.400 325 HE1 MET 41 1HE MET 41 -0.444 18.873 -13.922 326 HE2 MET 41 2HE MET 41 0.123 19.419 -15.500 327 HE3 MET 41 3HE MET 41 -1.171 20.291 -14.678 328 H ALA 42 H ALA 42 -2.140 13.812 -12.245 329 HA ALA 42 HA ALA 42 -4.356 15.064 -10.959 330 HB1 ALA 42 1HB ALA 42 -3.538 12.174 -11.188 331 HB2 ALA 42 2HB ALA 42 -5.044 12.716 -10.447 332 HB3 ALA 42 3HB ALA 42 -4.738 13.034 -12.154 333 H ASN 43 H ASN 43 -1.323 13.800 -9.880 334 HA ASN 43 HA ASN 43 -2.120 13.506 -7.126 335 HB2 ASN 43 2HB ASN 43 0.659 13.559 -8.325 336 HB3 ASN 43 3HB ASN 43 0.232 13.008 -6.707 337 HD21 ASN 43 1HD2 ASN 43 1.618 11.371 -8.361 338 HD22 ASN 43 2HD2 ASN 43 0.619 10.061 -8.879 339 H VAL 44 H VAL 44 0.275 15.614 -8.731 340 HA VAL 44 HA VAL 44 0.718 17.343 -6.611 341 HB VAL 44 HB VAL 44 0.733 18.112 -9.531 342 HG11 VAL 44 1HG1 VAL 44 1.122 20.121 -8.584 343 HG12 VAL 44 2HG1 VAL 44 1.619 19.418 -7.044 344 HG13 VAL 44 3HG1 VAL 44 2.754 19.482 -8.393 345 HG21 VAL 44 1HG2 VAL 44 3.336 17.600 -8.743 346 HG22 VAL 44 2HG2 VAL 44 2.407 16.284 -8.023 347 HG23 VAL 44 3HG2 VAL 44 2.328 16.570 -9.762 348 H SER 45 H SER 45 -1.723 17.531 -9.171 349 HA SER 45 HA SER 45 -2.786 20.027 -8.635 350 HB2 SER 45 2HB SER 45 -3.995 17.493 -9.709 351 HB3 SER 45 3HB SER 45 -4.993 18.925 -9.460 352 HG SER 45 HG SER 45 -4.283 19.382 -11.399 353 H THR 46 H THR 46 -3.375 16.958 -7.017 354 HA THR 46 HA THR 46 -5.408 18.102 -5.294 355 HB THR 46 HB THR 46 -4.973 15.719 -4.155 356 HG1 THR 46 HG1 THR 46 -3.975 14.334 -5.444 357 HG21 THR 46 1HG2 THR 46 -7.116 15.958 -4.889 358 HG22 THR 46 2HG2 THR 46 -6.540 14.858 -6.142 359 HG23 THR 46 3HG2 THR 46 -6.622 16.591 -6.459 360 H GLY 47 H GLY 47 -2.001 17.558 -5.259 361 HA2 GLY 47 2HA GLY 47 -0.516 18.560 -3.738 362 HA3 GLY 47 3HA GLY 47 -1.850 18.784 -2.616 363 H ARG 48 H ARG 48 -1.428 15.685 -4.087 364 HA ARG 48 HA ARG 48 -0.763 14.569 -1.473 365 HB2 ARG 48 2HB ARG 48 -2.609 13.750 -3.194 366 HB3 ARG 48 3HB ARG 48 -1.252 12.854 -3.863 367 HG2 ARG 48 2HG ARG 48 -1.074 11.489 -2.043 368 HG3 ARG 48 3HG ARG 48 -1.739 12.692 -0.937 369 HD2 ARG 48 2HD ARG 48 -3.940 12.356 -2.205 370 HD3 ARG 48 3HD ARG 48 -3.189 10.902 -2.861 371 HE ARG 48 HE ARG 48 -2.882 10.786 -0.112 372 HH11 ARG 48 1HH1 ARG 48 -5.496 10.858 -2.409 373 HH12 ARG 48 2HH1 ARG 48 -6.574 9.943 -1.409 374 HH21 ARG 48 1HH2 ARG 48 -4.292 9.580 1.215 375 HH22 ARG 48 2HH2 ARG 48 -5.888 9.216 0.653 376 H GLU 49 H GLU 49 1.358 15.928 -2.506 377 HA GLU 49 HA GLU 49 3.586 15.727 -2.922 378 HB2 GLU 49 2HB GLU 49 2.806 13.162 -1.770 379 HB3 GLU 49 3HB GLU 49 4.204 13.031 -2.827 380 HG2 GLU 49 2HG GLU 49 5.403 13.615 -1.052 381 HG3 GLU 49 3HG GLU 49 4.797 15.246 -1.332 382 HA PRO 50 HA PRO 50 4.115 14.777 -7.171 383 HB2 PRO 50 2HB PRO 50 6.765 14.203 -7.314 384 HB3 PRO 50 3HB PRO 50 6.149 15.840 -7.056 385 HG2 PRO 50 2HG PRO 50 7.209 13.878 -5.059 386 HG3 PRO 50 3HG PRO 50 7.514 15.620 -5.186 387 HD2 PRO 50 2HD PRO 50 5.750 14.574 -3.418 388 HD3 PRO 50 3HD PRO 50 5.523 16.170 -4.163 389 H GLY 51 H GLY 51 5.902 12.443 -5.139 390 HA2 GLY 51 2HA GLY 51 5.519 10.350 -7.112 391 HA3 GLY 51 3HA GLY 51 6.391 10.207 -5.593 392 H ASP 52 H ASP 52 3.095 10.585 -6.872 393 HA ASP 52 HA ASP 52 2.098 9.074 -4.555 394 HB2 ASP 52 2HB ASP 52 1.176 11.428 -5.705 395 HB3 ASP 52 3HB ASP 52 0.060 10.204 -6.303 396 H ILE 53 H ILE 53 2.411 6.972 -5.153 397 HA ILE 53 HA ILE 53 1.048 6.093 -7.616 398 HB ILE 53 HB ILE 53 3.379 4.748 -6.246 399 HG12 ILE 53 2HG1 ILE 53 4.078 6.818 -7.331 400 HG13 ILE 53 3HG1 ILE 53 4.661 5.432 -8.247 401 HG21 ILE 53 1HG2 ILE 53 2.061 3.087 -7.294 402 HG22 ILE 53 2HG2 ILE 53 1.810 4.087 -8.724 403 HG23 ILE 53 3HG2 ILE 53 3.405 3.412 -8.388 404 HD11 ILE 53 1HD1 ILE 53 2.734 7.521 -8.990 405 HD12 ILE 53 2HD1 ILE 53 3.867 6.606 -9.985 406 HD13 ILE 53 3HD1 ILE 53 2.331 5.884 -9.507 407 HA PRO 54 HA PRO 54 -1.221 4.255 -4.019 408 HB2 PRO 54 2HB PRO 54 -3.686 4.663 -5.081 409 HB3 PRO 54 3HB PRO 54 -2.833 5.889 -4.135 410 HG2 PRO 54 2HG PRO 54 -3.078 5.621 -7.106 411 HG3 PRO 54 3HG PRO 54 -3.199 7.076 -6.100 412 HD2 PRO 54 2HD PRO 54 -0.956 6.439 -7.477 413 HD3 PRO 54 3HD PRO 54 -0.911 7.297 -5.924 414 H GLU 55 H GLU 55 -1.512 2.120 -3.963 415 HA GLU 55 HA GLU 55 -2.058 0.715 -6.491 416 HB2 GLU 55 2HB GLU 55 -1.017 -1.236 -5.503 417 HB3 GLU 55 3HB GLU 55 0.070 0.140 -5.371 418 HG2 GLU 55 2HG GLU 55 -0.921 0.424 -3.015 419 HG3 GLU 55 3HG GLU 55 -1.505 -1.225 -3.226 420 H THR 56 H THR 56 -4.205 1.888 -5.182 421 HA THR 56 HA THR 56 -5.766 -0.486 -4.516 422 HB THR 56 HB THR 56 -6.713 0.391 -2.518 423 HG1 THR 56 HG1 THR 56 -6.578 2.466 -1.956 424 HG21 THR 56 1HG2 THR 56 -4.515 -0.668 -2.238 425 HG22 THR 56 2HG2 THR 56 -4.779 0.599 -1.040 426 HG23 THR 56 3HG2 THR 56 -3.737 0.903 -2.430 427 H LEU 57 H LEU 57 -7.700 -0.453 -5.476 428 HA LEU 57 HA LEU 57 -8.458 1.445 -7.331 429 HB2 LEU 57 2HB LEU 57 -9.368 -0.978 -6.679 430 HB3 LEU 57 3HB LEU 57 -10.623 -0.003 -5.918 431 HG LEU 57 HG LEU 57 -10.810 1.126 -8.248 432 HD11 LEU 57 1HD1 LEU 57 -8.902 0.225 -9.332 433 HD12 LEU 57 2HD1 LEU 57 -10.314 -0.530 -10.071 434 HD13 LEU 57 3HD1 LEU 57 -9.350 -1.425 -8.896 435 HD21 LEU 57 1HD2 LEU 57 -12.741 0.051 -8.041 436 HD22 LEU 57 2HD2 LEU 57 -11.994 -1.223 -7.076 437 HD23 LEU 57 3HD2 LEU 57 -11.993 -1.335 -8.836 438 H ASP 58 H ASP 58 -9.010 1.382 -3.893 439 HA ASP 58 HA ASP 58 -11.062 3.347 -3.821 440 HB2 ASP 58 2HB ASP 58 -9.092 2.626 -1.640 441 HB3 ASP 58 3HB ASP 58 -10.640 3.442 -1.432 442 H GLN 59 H GLN 59 -7.546 3.502 -3.314 443 HA GLN 59 HA GLN 59 -7.374 6.233 -2.751 444 HB2 GLN 59 2HB GLN 59 -5.448 4.218 -3.850 445 HB3 GLN 59 3HB GLN 59 -4.992 5.913 -3.775 446 HG2 GLN 59 2HG GLN 59 -5.318 5.939 -1.387 447 HG3 GLN 59 3HG GLN 59 -5.909 4.279 -1.421 448 HE21 GLN 59 1HE2 GLN 59 -4.152 3.020 -3.023 449 HE22 GLN 59 2HE2 GLN 59 -2.565 3.064 -2.342 450 H LEU 60 H LEU 60 -7.209 4.512 -5.846 451 HA LEU 60 HA LEU 60 -6.744 6.850 -7.403 452 HB2 LEU 60 2HB LEU 60 -7.857 4.177 -8.243 453 HB3 LEU 60 3HB LEU 60 -7.237 5.425 -9.322 454 HG LEU 60 HG LEU 60 -5.292 4.586 -7.320 455 HD11 LEU 60 1HD1 LEU 60 -6.775 2.496 -7.965 456 HD12 LEU 60 2HD1 LEU 60 -5.022 2.379 -7.812 457 HD13 LEU 60 3HD1 LEU 60 -5.759 2.527 -9.407 458 HD21 LEU 60 1HD2 LEU 60 -4.165 4.124 -9.704 459 HD22 LEU 60 2HD2 LEU 60 -4.278 5.731 -8.987 460 HD23 LEU 60 3HD2 LEU 60 -5.452 5.222 -10.201 461 H ARG 61 H ARG 61 -9.639 4.848 -6.855 462 HA ARG 61 HA ARG 61 -11.449 6.240 -8.402 463 HB2 ARG 61 2HB ARG 61 -12.106 4.177 -7.392 464 HB3 ARG 61 3HB ARG 61 -11.827 4.807 -5.774 465 HG2 ARG 61 2HG ARG 61 -13.744 6.424 -7.194 466 HG3 ARG 61 3HG ARG 61 -14.235 4.729 -7.160 467 HD2 ARG 61 2HD ARG 61 -13.402 6.327 -4.742 468 HD3 ARG 61 3HD ARG 61 -15.072 6.049 -5.231 469 HE ARG 61 HE ARG 61 -13.587 3.622 -4.923 470 HH11 ARG 61 1HH1 ARG 61 -15.390 6.074 -3.234 471 HH12 ARG 61 2HH1 ARG 61 -15.818 5.035 -1.915 472 HH21 ARG 61 1HH2 ARG 61 -14.142 2.244 -3.192 473 HH22 ARG 61 2HH2 ARG 61 -15.107 2.857 -1.892 474 H LEU 62 H LEU 62 -10.174 7.042 -5.237 475 HA LEU 62 HA LEU 62 -12.035 9.173 -4.754 476 HB2 LEU 62 2HB LEU 62 -10.330 7.725 -3.193 477 HB3 LEU 62 3HB LEU 62 -9.471 9.258 -3.336 478 HG LEU 62 HG LEU 62 -10.750 9.332 -1.334 479 HD11 LEU 62 1HD1 LEU 62 -12.549 10.876 -3.124 480 HD12 LEU 62 2HD1 LEU 62 -10.831 11.271 -3.117 481 HD13 LEU 62 3HD1 LEU 62 -11.761 11.357 -1.621 482 HD21 LEU 62 1HD2 LEU 62 -12.904 8.616 -1.060 483 HD22 LEU 62 2HD2 LEU 62 -12.380 7.521 -2.340 484 HD23 LEU 62 3HD2 LEU 62 -13.346 8.943 -2.736 485 H VAL 63 H VAL 63 -8.644 8.970 -5.785 486 HA VAL 63 HA VAL 63 -8.219 11.757 -5.981 487 HB VAL 63 HB VAL 63 -6.815 9.516 -7.443 488 HG11 VAL 63 1HG1 VAL 63 -4.950 11.190 -7.589 489 HG12 VAL 63 2HG1 VAL 63 -6.360 11.555 -8.586 490 HG13 VAL 63 3HG1 VAL 63 -6.103 12.418 -7.069 491 HG21 VAL 63 1HG2 VAL 63 -6.873 10.083 -4.721 492 HG22 VAL 63 2HG2 VAL 63 -5.701 9.072 -5.566 493 HG23 VAL 63 3HG2 VAL 63 -5.357 10.779 -5.291 494 H ILE 64 H ILE 64 -9.780 9.472 -8.047 495 HA ILE 64 HA ILE 64 -9.595 11.077 -10.433 496 HB ILE 64 HB ILE 64 -11.328 8.680 -9.819 497 HG12 ILE 64 2HG1 ILE 64 -9.038 8.600 -11.720 498 HG13 ILE 64 3HG1 ILE 64 -8.662 8.640 -10.000 499 HG21 ILE 64 1HG2 ILE 64 -12.319 10.031 -11.571 500 HG22 ILE 64 2HG2 ILE 64 -10.783 10.075 -12.435 501 HG23 ILE 64 3HG2 ILE 64 -11.648 8.550 -12.255 502 HD11 ILE 64 1HD1 ILE 64 -9.615 6.463 -11.637 503 HD12 ILE 64 2HD1 ILE 64 -8.903 6.439 -10.024 504 HD13 ILE 64 3HD1 ILE 64 -10.635 6.712 -10.220 505 H CYS 65 H CYS 65 -12.383 9.993 -8.482 506 HA CYS 65 HA CYS 65 -14.260 11.712 -9.599 507 HB2 CYS 65 2HB CYS 65 -14.560 9.726 -7.951 508 HB3 CYS 65 3HB CYS 65 -14.367 10.944 -6.696 509 HG CYS 65 HG CYS 65 -16.684 12.156 -6.986 510 H ASP 66 H ASP 66 -11.850 12.290 -7.147 511 HA ASP 66 HA ASP 66 -12.964 14.792 -6.275 512 HB2 ASP 66 2HB ASP 66 -10.310 13.434 -5.804 513 HB3 ASP 66 3HB ASP 66 -10.683 15.032 -5.163 514 H LEU 67 H LEU 67 -9.859 14.050 -7.872 515 HA LEU 67 HA LEU 67 -9.201 16.619 -8.628 516 HB2 LEU 67 2HB LEU 67 -7.638 14.795 -8.809 517 HB3 LEU 67 3HB LEU 67 -8.633 14.018 -10.039 518 HG LEU 67 HG LEU 67 -8.140 16.345 -11.278 519 HD11 LEU 67 1HD1 LEU 67 -6.775 17.192 -9.420 520 HD12 LEU 67 2HD1 LEU 67 -5.845 17.024 -10.909 521 HD13 LEU 67 3HD1 LEU 67 -5.673 15.829 -9.624 522 HD21 LEU 67 1HD2 LEU 67 -5.998 15.011 -12.122 523 HD22 LEU 67 2HD2 LEU 67 -7.641 14.524 -12.541 524 HD23 LEU 67 3HD2 LEU 67 -6.787 13.710 -11.230 525 H GLN 68 H GLN 68 -11.272 14.291 -10.279 526 HA GLN 68 HA GLN 68 -11.612 15.789 -12.657 527 HB2 GLN 68 2HB GLN 68 -12.105 13.399 -12.556 528 HB3 GLN 68 3HB GLN 68 -13.399 13.698 -11.404 529 HG2 GLN 68 2HG GLN 68 -14.816 14.526 -12.990 530 HG3 GLN 68 3HG GLN 68 -13.505 15.075 -14.034 531 HE21 GLN 68 1HE2 GLN 68 -13.651 14.054 -15.895 532 HE22 GLN 68 2HE2 GLN 68 -13.929 12.364 -16.111 533 H GLU 69 H GLU 69 -13.872 15.285 -9.939 534 HA GLU 69 HA GLU 69 -15.766 17.168 -10.742 535 HB2 GLU 69 2HB GLU 69 -16.041 15.417 -8.952 536 HB3 GLU 69 3HB GLU 69 -15.106 16.454 -7.882 537 HG2 GLU 69 2HG GLU 69 -17.090 17.259 -7.267 538 HG3 GLU 69 3HG GLU 69 -17.006 18.179 -8.769 539 H ARG 70 H ARG 70 -12.668 17.592 -9.304 540 HA ARG 70 HA ARG 70 -13.118 20.177 -8.183 541 HB2 ARG 70 2HB ARG 70 -10.856 18.353 -8.546 542 HB3 ARG 70 3HB ARG 70 -10.413 20.049 -8.689 543 HG2 ARG 70 2HG ARG 70 -11.508 20.455 -6.493 544 HG3 ARG 70 3HG ARG 70 -11.752 18.714 -6.350 545 HD2 ARG 70 2HD ARG 70 -9.350 18.350 -6.459 546 HD3 ARG 70 3HD ARG 70 -9.082 20.079 -6.676 547 HE ARG 70 HE ARG 70 -9.345 20.368 -4.422 548 HH11 ARG 70 1HH1 ARG 70 -10.573 17.237 -5.322 549 HH12 ARG 70 2HH1 ARG 70 -10.816 16.718 -3.686 550 HH21 ARG 70 1HH2 ARG 70 -9.661 19.696 -2.264 551 HH22 ARG 70 2HH2 ARG 70 -10.298 18.117 -1.949 552 H ARG 71 H ARG 71 -11.083 19.250 -10.965 553 HA ARG 71 HA ARG 71 -10.901 21.861 -11.998 554 HB2 ARG 71 2HB ARG 71 -9.794 19.364 -12.591 555 HB3 ARG 71 3HB ARG 71 -10.668 19.822 -14.047 556 HG2 ARG 71 2HG ARG 71 -8.777 21.716 -12.701 557 HG3 ARG 71 3HG ARG 71 -8.212 20.500 -13.848 558 HD2 ARG 71 2HD ARG 71 -8.696 21.935 -15.477 559 HD3 ARG 71 3HD ARG 71 -10.400 21.699 -15.088 560 HE ARG 71 HE ARG 71 -9.112 23.669 -13.444 561 HH11 ARG 71 1HH1 ARG 71 -10.735 23.092 -16.468 562 HH12 ARG 71 2HH1 ARG 71 -11.247 24.737 -16.658 563 HH21 ARG 71 1HH2 ARG 71 -9.779 25.838 -13.682 564 HH22 ARG 71 2HH2 ARG 71 -10.702 26.298 -15.073 565 H GLU 72 H GLU 72 -13.099 19.186 -12.700 566 HA GLU 72 HA GLU 72 -14.374 20.267 -14.939 567 HB2 GLU 72 2HB GLU 72 -14.691 17.951 -14.294 568 HB3 GLU 72 3HB GLU 72 -15.459 18.441 -12.789 569 HG2 GLU 72 2HG GLU 72 -16.729 19.520 -15.193 570 HG3 GLU 72 3HG GLU 72 -16.768 17.761 -15.070 571 H LYS 73 H LYS 73 -15.316 20.450 -11.509 572 HA LYS 73 HA LYS 73 -17.578 22.058 -11.856 573 HB2 LYS 73 2HB LYS 73 -16.985 20.831 -9.770 574 HB3 LYS 73 3HB LYS 73 -15.722 22.018 -9.470 575 HG2 LYS 73 2HG LYS 73 -17.191 23.634 -8.846 576 HG3 LYS 73 3HG LYS 73 -18.474 23.030 -9.897 577 HD2 LYS 73 2HD LYS 73 -19.304 22.456 -7.833 578 HD3 LYS 73 3HD LYS 73 -18.426 20.983 -8.254 579 HE2 LYS 73 2HE LYS 73 -16.586 22.730 -7.010 580 HE3 LYS 73 3HE LYS 73 -18.050 22.733 -6.025 581 HZ1 LYS 73 1HZ LYS 73 -17.624 20.689 -5.309 582 HZ2 LYS 73 2HZ LYS 73 -16.082 20.842 -5.985 583 HZ3 LYS 73 3HZ LYS 73 -17.322 20.102 -6.867 584 H PHE 74 H PHE 74 -14.177 22.880 -11.556 585 HA PHE 74 HA PHE 74 -14.644 25.703 -11.331 586 HB2 PHE 74 2HB PHE 74 -12.374 23.912 -11.202 587 HB3 PHE 74 3HB PHE 74 -12.009 25.314 -12.202 588 HD1 PHE 74 HD1 PHE 74 -12.275 24.057 -8.891 589 HD2 PHE 74 HD2 PHE 74 -12.492 27.624 -11.203 590 HE1 PHE 74 HE1 PHE 74 -11.881 25.392 -6.861 591 HE2 PHE 74 HE2 PHE 74 -12.098 28.965 -9.178 592 HZ PHE 74 HZ PHE 74 -11.792 27.849 -7.003 593 H GLY 75 H GLY 75 -14.371 23.438 -13.908 594 HA2 GLY 75 2HA GLY 75 -15.358 24.930 -15.927 595 HA3 GLY 75 3HA GLY 75 -13.666 25.407 -15.910 596 H SER 76 H SER 76 -13.813 24.511 -18.138 597 HA SER 76 HA SER 76 -13.386 21.594 -18.101 598 HB2 SER 76 2HB SER 76 -15.051 23.271 -19.830 599 HB3 SER 76 3HB SER 76 -13.972 22.204 -20.729 600 HG SER 76 HG SER 76 -16.236 21.532 -19.710 601 H SER 77 H SER 77 -11.538 20.823 -18.956 602 HA SER 77 HA SER 77 -9.919 22.420 -20.740 603 HB2 SER 77 2HB SER 77 -8.182 22.944 -19.354 604 HB3 SER 77 3HB SER 77 -9.451 22.899 -18.130 605 HG SER 77 HG SER 77 -7.581 21.651 -17.576 606 H LYS 78 H LYS 78 -8.634 21.190 -22.020 607 HA LYS 78 HA LYS 78 -9.073 18.392 -22.096 608 HB2 LYS 78 2HB LYS 78 -7.474 18.383 -23.943 609 HB3 LYS 78 3HB LYS 78 -8.615 19.711 -24.113 610 HG2 LYS 78 2HG LYS 78 -6.857 21.027 -24.418 611 HG3 LYS 78 3HG LYS 78 -6.513 20.821 -22.700 612 HD2 LYS 78 2HD LYS 78 -4.508 20.165 -23.586 613 HD3 LYS 78 3HD LYS 78 -5.346 18.612 -23.553 614 HE2 LYS 78 2HE LYS 78 -5.923 20.049 -25.987 615 HE3 LYS 78 3HE LYS 78 -4.184 19.868 -25.762 616 HZ1 LYS 78 1HZ LYS 78 -4.561 17.885 -26.714 617 HZ2 LYS 78 2HZ LYS 78 -6.200 17.855 -26.298 618 HZ3 LYS 78 3HZ LYS 78 -5.031 17.417 -25.158 619 H GLU 79 H GLU 79 -6.779 20.360 -20.466 620 HA GLU 79 HA GLU 79 -4.648 18.526 -20.230 621 HB2 GLU 79 2HB GLU 79 -5.512 20.961 -18.725 622 HB3 GLU 79 3HB GLU 79 -4.256 19.937 -18.042 623 HG2 GLU 79 2HG GLU 79 -3.403 20.243 -20.615 624 HG3 GLU 79 3HG GLU 79 -4.148 21.805 -20.280 625 H ILE 80 H ILE 80 -7.145 19.397 -17.833 626 HA ILE 80 HA ILE 80 -6.502 17.266 -16.078 627 HB ILE 80 HB ILE 80 -7.691 19.357 -15.396 628 HG12 ILE 80 2HG1 ILE 80 -9.589 17.848 -14.159 629 HG13 ILE 80 3HG1 ILE 80 -8.464 16.598 -14.680 630 HG21 ILE 80 1HG2 ILE 80 -10.216 18.098 -16.400 631 HG22 ILE 80 2HG2 ILE 80 -9.922 19.764 -15.900 632 HG23 ILE 80 3HG2 ILE 80 -9.269 19.174 -17.428 633 HD11 ILE 80 1HD1 ILE 80 -7.136 18.869 -13.448 634 HD12 ILE 80 2HD1 ILE 80 -8.289 18.071 -12.378 635 HD13 ILE 80 3HD1 ILE 80 -6.983 17.143 -13.116 636 H ASP 81 H ASP 81 -8.689 17.589 -18.783 637 HA ASP 81 HA ASP 81 -10.364 15.402 -18.328 638 HB2 ASP 81 2HB ASP 81 -10.710 17.121 -20.094 639 HB3 ASP 81 3HB ASP 81 -9.382 16.411 -21.006 640 H MET 82 H MET 82 -7.276 15.567 -20.082 641 HA MET 82 HA MET 82 -7.217 12.801 -20.727 642 HB2 MET 82 2HB MET 82 -5.184 15.009 -20.747 643 HB3 MET 82 3HB MET 82 -4.690 13.346 -21.036 644 HG2 MET 82 2HG MET 82 -6.985 14.272 -22.618 645 HG3 MET 82 3HG MET 82 -5.450 15.065 -22.964 646 HE1 MET 82 1HE MET 82 -5.685 13.248 -25.863 647 HE2 MET 82 2HE MET 82 -6.928 12.144 -25.272 648 HE3 MET 82 3HE MET 82 -7.025 13.865 -24.896 649 H ALA 83 H ALA 83 -5.657 14.732 -18.187 650 HA ALA 83 HA ALA 83 -4.118 12.774 -16.990 651 HB1 ALA 83 1HB ALA 83 -4.752 15.392 -16.431 652 HB2 ALA 83 2HB ALA 83 -5.393 14.517 -15.040 653 HB3 ALA 83 3HB ALA 83 -3.692 14.356 -15.476 654 H ILE 84 H ILE 84 -7.540 13.526 -16.468 655 HA ILE 84 HA ILE 84 -7.948 11.672 -14.371 656 HB ILE 84 HB ILE 84 -9.937 12.823 -16.330 657 HG12 ILE 84 2HG1 ILE 84 -9.676 13.651 -13.467 658 HG13 ILE 84 3HG1 ILE 84 -8.533 14.287 -14.645 659 HG21 ILE 84 1HG2 ILE 84 -11.217 12.187 -13.934 660 HG22 ILE 84 2HG2 ILE 84 -11.394 11.372 -15.488 661 HG23 ILE 84 3HG2 ILE 84 -10.216 10.785 -14.314 662 HD11 ILE 84 1HD1 ILE 84 -10.376 15.197 -15.947 663 HD12 ILE 84 2HD1 ILE 84 -11.528 14.546 -14.781 664 HD13 ILE 84 3HD1 ILE 84 -10.395 15.807 -14.293 665 H VAL 85 H VAL 85 -8.682 11.482 -17.853 666 HA VAL 85 HA VAL 85 -9.764 8.949 -17.954 667 HB VAL 85 HB VAL 85 -7.948 10.225 -20.004 668 HG11 VAL 85 1HG1 VAL 85 -9.058 8.738 -21.610 669 HG12 VAL 85 2HG1 VAL 85 -8.172 7.833 -20.381 670 HG13 VAL 85 3HG1 VAL 85 -9.928 7.966 -20.284 671 HG21 VAL 85 1HG2 VAL 85 -10.828 10.179 -20.493 672 HG22 VAL 85 2HG2 VAL 85 -10.364 11.145 -19.093 673 HG23 VAL 85 3HG2 VAL 85 -9.668 11.495 -20.675 674 H THR 86 H THR 86 -6.429 9.896 -17.579 675 HA THR 86 HA THR 86 -5.319 7.324 -18.164 676 HB THR 86 HB THR 86 -4.129 9.703 -16.728 677 HG1 THR 86 HG1 THR 86 -4.288 10.278 -18.814 678 HG21 THR 86 1HG2 THR 86 -3.101 6.984 -17.235 679 HG22 THR 86 2HG2 THR 86 -2.646 8.156 -15.999 680 HG23 THR 86 3HG2 THR 86 -2.006 8.305 -17.636 681 H LEU 87 H LEU 87 -5.759 9.150 -15.132 682 HA LEU 87 HA LEU 87 -4.872 7.205 -13.368 683 HB2 LEU 87 2HB LEU 87 -6.257 9.687 -13.222 684 HB3 LEU 87 3HB LEU 87 -7.075 8.532 -12.171 685 HG LEU 87 HG LEU 87 -4.190 9.398 -12.022 686 HD11 LEU 87 1HD1 LEU 87 -6.040 10.907 -11.147 687 HD12 LEU 87 2HD1 LEU 87 -4.764 10.466 -10.013 688 HD13 LEU 87 3HD1 LEU 87 -6.330 9.661 -9.932 689 HD21 LEU 87 1HD2 LEU 87 -4.015 7.200 -11.372 690 HD22 LEU 87 2HD2 LEU 87 -5.662 7.138 -10.745 691 HD23 LEU 87 3HD2 LEU 87 -4.404 7.978 -9.838 692 H LYS 88 H LYS 88 -7.875 7.436 -15.099 693 HA LYS 88 HA LYS 88 -9.273 5.504 -13.497 694 HB2 LYS 88 2HB LYS 88 -9.816 6.984 -16.030 695 HB3 LYS 88 3HB LYS 88 -10.745 5.526 -15.706 696 HG2 LYS 88 2HG LYS 88 -11.353 6.530 -13.486 697 HG3 LYS 88 3HG LYS 88 -10.616 8.032 -14.051 698 HD2 LYS 88 2HD LYS 88 -12.176 8.163 -15.883 699 HD3 LYS 88 3HD LYS 88 -12.847 6.582 -15.475 700 HE2 LYS 88 2HE LYS 88 -13.498 7.543 -13.250 701 HE3 LYS 88 3HE LYS 88 -13.016 9.124 -13.864 702 HZ1 LYS 88 1HZ LYS 88 -15.304 7.453 -14.626 703 HZ2 LYS 88 2HZ LYS 88 -14.629 8.478 -15.791 704 HZ3 LYS 88 3HZ LYS 88 -15.235 9.120 -14.347 705 H VAL 89 H VAL 89 -8.384 5.382 -16.950 706 HA VAL 89 HA VAL 89 -8.680 2.664 -17.313 707 HB VAL 89 HB VAL 89 -8.329 4.185 -19.181 708 HG11 VAL 89 1HG1 VAL 89 -6.412 5.386 -19.588 709 HG12 VAL 89 2HG1 VAL 89 -6.458 5.419 -17.824 710 HG13 VAL 89 3HG1 VAL 89 -5.395 4.286 -18.659 711 HG21 VAL 89 1HG2 VAL 89 -6.025 2.625 -19.814 712 HG22 VAL 89 2HG2 VAL 89 -7.145 1.640 -18.873 713 HG23 VAL 89 3HG2 VAL 89 -7.688 2.416 -20.362 714 H PHE 90 H PHE 90 -5.902 4.435 -16.064 715 HA PHE 90 HA PHE 90 -4.122 2.222 -16.030 716 HB2 PHE 90 2HB PHE 90 -3.513 4.697 -15.923 717 HB3 PHE 90 3HB PHE 90 -3.960 4.630 -14.222 718 HD1 PHE 90 HD1 PHE 90 -2.766 2.868 -12.775 719 HD2 PHE 90 HD2 PHE 90 -1.366 4.150 -16.585 720 HE1 PHE 90 HE1 PHE 90 -0.511 2.062 -12.213 721 HE2 PHE 90 HE2 PHE 90 0.891 3.344 -16.030 722 HZ PHE 90 HZ PHE 90 1.322 2.298 -13.842 723 H ALA 91 H ALA 91 -6.182 3.721 -13.561 724 HA ALA 91 HA ALA 91 -5.435 2.211 -11.361 725 HB1 ALA 91 1HB ALA 91 -8.003 2.563 -10.783 726 HB2 ALA 91 2HB ALA 91 -6.841 3.889 -10.744 727 HB3 ALA 91 3HB ALA 91 -7.891 3.677 -12.144 728 H VAL 92 H VAL 92 -7.817 1.462 -13.875 729 HA VAL 92 HA VAL 92 -8.527 -1.059 -12.669 730 HB VAL 92 HB VAL 92 -10.193 0.193 -13.954 731 HG11 VAL 92 1HG1 VAL 92 -8.621 1.167 -15.596 732 HG12 VAL 92 2HG1 VAL 92 -8.501 -0.412 -16.376 733 HG13 VAL 92 3HG1 VAL 92 -10.043 0.444 -16.348 734 HG21 VAL 92 1HG2 VAL 92 -10.297 -1.928 -15.780 735 HG22 VAL 92 2HG2 VAL 92 -9.502 -2.572 -14.343 736 HG23 VAL 92 3HG2 VAL 92 -11.094 -1.824 -14.211 737 H ALA 93 H ALA 93 -6.504 0.051 -15.333 738 HA ALA 93 HA ALA 93 -5.935 -2.489 -16.429 739 HB1 ALA 93 1HB ALA 93 -5.501 -0.637 -17.807 740 HB2 ALA 93 2HB ALA 93 -4.524 0.159 -16.571 741 HB3 ALA 93 3HB ALA 93 -3.912 -1.280 -17.388 742 H GLY 94 H GLY 94 -4.962 -1.030 -13.526 743 HA2 GLY 94 2HA GLY 94 -2.606 -2.792 -13.327 744 HA3 GLY 94 3HA GLY 94 -2.854 -1.338 -12.372 745 H LEU 95 H LEU 95 -4.912 -1.418 -10.986 746 HA LEU 95 HA LEU 95 -4.654 -3.465 -9.112 747 HB2 LEU 95 2HB LEU 95 -6.808 -1.457 -9.666 748 HB3 LEU 95 3HB LEU 95 -6.996 -2.657 -8.390 749 HG LEU 95 HG LEU 95 -6.247 -0.577 -7.437 750 HD11 LEU 95 1HD1 LEU 95 -4.898 -3.039 -7.175 751 HD12 LEU 95 2HD1 LEU 95 -5.034 -1.738 -5.993 752 HD13 LEU 95 3HD1 LEU 95 -3.676 -1.769 -7.116 753 HD21 LEU 95 1HD2 LEU 95 -5.195 0.289 -9.525 754 HD22 LEU 95 2HD2 LEU 95 -3.818 -0.768 -9.211 755 HD23 LEU 95 3HD2 LEU 95 -4.219 0.521 -8.074 756 H LEU 96 H LEU 96 -6.699 -3.204 -11.941 757 HA LEU 96 HA LEU 96 -7.951 -5.781 -11.288 758 HB2 LEU 96 2HB LEU 96 -8.933 -3.375 -12.425 759 HB3 LEU 96 3HB LEU 96 -9.024 -4.629 -13.661 760 HG LEU 96 HG LEU 96 -11.118 -4.391 -12.397 761 HD11 LEU 96 1HD1 LEU 96 -11.529 -6.578 -12.598 762 HD12 LEU 96 2HD1 LEU 96 -10.264 -7.020 -11.452 763 HD13 LEU 96 3HD1 LEU 96 -9.853 -6.696 -13.136 764 HD21 LEU 96 1HD2 LEU 96 -11.299 -4.795 -10.102 765 HD22 LEU 96 2HD2 LEU 96 -9.874 -3.765 -10.249 766 HD23 LEU 96 3HD2 LEU 96 -9.686 -5.502 -10.005 767 H ASN 97 H ASN 97 -5.422 -4.526 -13.027 768 HA ASN 97 HA ASN 97 -4.128 -5.255 -14.756 769 HB2 ASN 97 2HB ASN 97 -5.245 -7.855 -13.707 770 HB3 ASN 97 3HB ASN 97 -4.008 -7.787 -14.959 771 HD21 ASN 97 1HD2 ASN 97 -1.934 -7.310 -14.420 772 HD22 ASN 97 2HD2 ASN 97 -1.387 -7.122 -12.792 773 H MET 98 H MET 98 -6.869 -4.459 -15.386 774 HA MET 98 HA MET 98 -7.846 -6.237 -17.414 775 HB2 MET 98 2HB MET 98 -8.959 -4.207 -15.950 776 HB3 MET 98 3HB MET 98 -8.752 -3.446 -17.522 777 HG2 MET 98 2HG MET 98 -10.329 -4.718 -18.502 778 HG3 MET 98 3HG MET 98 -9.932 -6.142 -17.543 779 HE1 MET 98 1HE MET 98 -12.449 -6.342 -14.923 780 HE2 MET 98 2HE MET 98 -12.412 -6.973 -16.569 781 HE3 MET 98 3HE MET 98 -10.929 -6.906 -15.615 782 H THR 99 H THR 99 -7.173 -6.376 -19.447 783 HA THR 99 HA THR 99 -5.234 -4.471 -20.454 784 HB THR 99 HB THR 99 -6.325 -6.813 -21.998 785 HG1 THR 99 HG1 THR 99 -4.024 -7.056 -20.397 786 HG21 THR 99 1HG2 THR 99 -3.501 -6.345 -22.198 787 HG22 THR 99 2HG2 THR 99 -4.377 -4.845 -22.504 788 HG23 THR 99 3HG2 THR 99 -4.729 -6.284 -23.461 789 H VAL 100 H VAL 100 -7.371 -2.994 -20.222 790 HA VAL 100 HA VAL 100 -9.369 -2.994 -22.123 791 HB VAL 100 HB VAL 100 -9.193 -1.417 -20.190 792 HG11 VAL 100 1HG1 VAL 100 -7.500 0.009 -19.998 793 HG12 VAL 100 2HG1 VAL 100 -6.789 -0.693 -21.452 794 HG13 VAL 100 3HG1 VAL 100 -7.856 0.706 -21.578 795 HG21 VAL 100 1HG2 VAL 100 -10.567 -1.151 -22.474 796 HG22 VAL 100 2HG2 VAL 100 -10.667 0.011 -21.151 797 HG23 VAL 100 3HG2 VAL 100 -9.621 0.337 -22.533 798 H SER 101 H SER 101 -9.655 -1.849 -24.102 799 HA SER 101 HA SER 101 -7.320 -1.970 -25.798 800 HB2 SER 101 2HB SER 101 -10.120 -1.095 -26.538 801 HB3 SER 101 3HB SER 101 -8.846 -1.630 -27.635 802 HG SER 101 HG SER 101 -9.528 -3.580 -27.315 803 H THR 102 H THR 102 -9.746 0.539 -25.061 804 HA THR 102 HA THR 102 -7.674 2.562 -25.617 805 HB THR 102 HB THR 102 -9.290 4.042 -26.530 806 HG1 THR 102 HG1 THR 102 -11.362 2.171 -26.015 807 HG21 THR 102 1HG2 THR 102 -10.446 1.679 -27.822 808 HG22 THR 102 2HG2 THR 102 -8.684 1.663 -27.735 809 HG23 THR 102 3HG2 THR 102 -9.516 3.009 -28.513 810 H ALA 103 H ALA 103 -7.518 4.308 -24.239 811 HA ALA 103 HA ALA 103 -8.070 3.969 -21.557 812 HB1 ALA 103 1HB ALA 103 -6.508 5.647 -22.705 813 HB2 ALA 103 2HB ALA 103 -7.920 6.702 -22.786 814 HB3 ALA 103 3HB ALA 103 -7.317 6.154 -21.222 815 H ALA 104 H ALA 104 -10.060 5.434 -24.053 816 HA ALA 104 HA ALA 104 -11.971 6.657 -22.391 817 HB1 ALA 104 1HB ALA 104 -11.855 5.830 -25.233 818 HB2 ALA 104 2HB ALA 104 -13.448 6.144 -24.543 819 HB3 ALA 104 3HB ALA 104 -12.213 7.404 -24.522 820 H ALA 105 H ALA 105 -11.972 3.460 -23.957 821 HA ALA 105 HA ALA 105 -14.444 2.571 -23.039 822 HB1 ALA 105 1HB ALA 105 -13.204 0.249 -23.186 823 HB2 ALA 105 2HB ALA 105 -13.589 1.178 -24.636 824 HB3 ALA 105 3HB ALA 105 -11.959 1.227 -23.966 825 H ALA 106 H ALA 106 -11.246 2.318 -21.529 826 HA ALA 106 HA ALA 106 -12.033 0.785 -19.305 827 HB1 ALA 106 1HB ALA 106 -9.896 1.008 -18.594 828 HB2 ALA 106 2HB ALA 106 -9.657 1.572 -20.247 829 HB3 ALA 106 3HB ALA 106 -9.845 2.738 -18.937 830 H GLU 107 H GLU 107 -11.902 4.278 -19.836 831 HA GLU 107 HA GLU 107 -12.513 5.035 -17.183 832 HB2 GLU 107 2HB GLU 107 -11.554 6.665 -18.644 833 HB3 GLU 107 3HB GLU 107 -12.844 6.460 -19.821 834 HG2 GLU 107 2HG GLU 107 -13.887 7.229 -17.243 835 HG3 GLU 107 3HG GLU 107 -12.685 8.379 -17.826 836 H ASN 108 H ASN 108 -14.538 4.501 -20.041 837 HA ASN 108 HA ASN 108 -16.982 5.323 -18.993 838 HB2 ASN 108 2HB ASN 108 -16.270 4.477 -21.397 839 HB3 ASN 108 3HB ASN 108 -16.892 2.944 -20.797 840 HD21 ASN 108 1HD2 ASN 108 -18.602 2.927 -22.229 841 HD22 ASN 108 2HD2 ASN 108 -19.956 3.989 -22.074 842 H MET 109 H MET 109 -15.470 2.107 -18.925 843 HA MET 109 HA MET 109 -17.589 0.882 -17.476 844 HB2 MET 109 2HB MET 109 -15.545 -0.104 -18.900 845 HB3 MET 109 3HB MET 109 -14.840 -0.233 -17.294 846 HG2 MET 109 2HG MET 109 -17.342 -1.271 -16.921 847 HG3 MET 109 3HG MET 109 -16.946 -1.803 -18.553 848 HE1 MET 109 1HE MET 109 -15.880 -1.774 -14.807 849 HE2 MET 109 2HE MET 109 -14.415 -2.756 -14.815 850 HE3 MET 109 3HE MET 109 -14.411 -1.162 -15.569 851 H TYR 110 H TYR 110 -14.740 2.666 -16.581 852 HA TYR 110 HA TYR 110 -14.495 1.816 -13.912 853 HB2 TYR 110 2HB TYR 110 -12.825 3.174 -15.255 854 HB3 TYR 110 3HB TYR 110 -13.833 4.580 -14.929 855 HD1 TYR 110 HD1 TYR 110 -11.639 2.042 -13.408 856 HD2 TYR 110 HD2 TYR 110 -13.838 5.629 -12.776 857 HE1 TYR 110 HE1 TYR 110 -10.480 2.367 -11.262 858 HE2 TYR 110 HE2 TYR 110 -12.685 5.964 -10.629 859 HH TYR 110 HH TYR 110 -10.997 3.597 -9.061 860 H SER 111 H SER 111 -16.266 4.537 -15.348 861 HA SER 111 HA SER 111 -17.321 5.421 -12.836 862 HB2 SER 111 2HB SER 111 -18.953 6.553 -14.724 863 HB3 SER 111 3HB SER 111 -17.422 7.238 -14.179 864 HG SER 111 HG SER 111 -16.551 6.764 -16.040 865 H GLN 112 H GLN 112 -18.570 3.554 -15.570 866 HA GLN 112 HA GLN 112 -21.217 3.309 -14.642 867 HB2 GLN 112 2HB GLN 112 -20.651 2.826 -16.949 868 HB3 GLN 112 3HB GLN 112 -19.599 1.508 -16.450 869 HG2 GLN 112 2HG GLN 112 -21.817 0.810 -17.351 870 HG3 GLN 112 3HG GLN 112 -21.437 0.192 -15.745 871 HE21 GLN 112 1HE2 GLN 112 -23.414 -0.056 -14.898 872 HE22 GLN 112 2HE2 GLN 112 -24.568 1.215 -14.697 873 H MET 113 H MET 113 -18.304 1.453 -14.007 874 HA MET 113 HA MET 113 -19.511 -0.763 -12.760 875 HB2 MET 113 2HB MET 113 -17.210 -0.873 -13.470 876 HB3 MET 113 3HB MET 113 -16.770 0.458 -12.408 877 HG2 MET 113 2HG MET 113 -16.772 -0.843 -10.540 878 HG3 MET 113 3HG MET 113 -17.978 -1.955 -11.182 879 HE1 MET 113 1HE MET 113 -15.790 -4.478 -10.497 880 HE2 MET 113 2HE MET 113 -14.529 -3.342 -10.019 881 HE3 MET 113 3HE MET 113 -16.210 -3.026 -9.589 882 H GLY 114 H GLY 114 -18.979 2.472 -11.698 883 HA2 GLY 114 2HA GLY 114 -20.318 3.234 -9.811 884 HA3 GLY 114 3HA GLY 114 -19.957 1.706 -9.020 885 H LEU 115 H LEU 115 -17.376 3.198 -10.718 886 HA LEU 115 HA LEU 115 -16.112 3.861 -8.157 887 HB2 LEU 115 2HB LEU 115 -14.748 3.718 -10.829 888 HB3 LEU 115 3HB LEU 115 -14.023 3.626 -9.225 889 HG LEU 115 HG LEU 115 -15.673 1.511 -10.604 890 HD11 LEU 115 1HD1 LEU 115 -13.494 0.229 -10.146 891 HD12 LEU 115 2HD1 LEU 115 -12.770 1.823 -9.932 892 HD13 LEU 115 3HD1 LEU 115 -13.517 1.394 -11.471 893 HD21 LEU 115 1HD2 LEU 115 -16.321 1.079 -8.473 894 HD22 LEU 115 2HD2 LEU 115 -14.926 1.893 -7.764 895 HD23 LEU 115 3HD2 LEU 115 -14.755 0.268 -8.431 896 H ASP 116 H ASP 116 -17.506 5.298 -10.904 897 HA ASP 116 HA ASP 116 -17.010 7.930 -9.906 898 HB2 ASP 116 2HB ASP 116 -15.037 6.960 -11.587 899 HB3 ASP 116 3HB ASP 116 -16.070 7.889 -12.671 900 H THR 117 H THR 117 -17.632 9.490 -12.012 901 HA THR 117 HA THR 117 -20.224 8.428 -12.933 902 HB THR 117 HB THR 117 -20.779 11.002 -13.032 903 HG1 THR 117 HG1 THR 117 -19.741 12.025 -11.172 904 HG21 THR 117 1HG2 THR 117 -20.844 9.146 -10.686 905 HG22 THR 117 2HG2 THR 117 -22.171 9.716 -11.699 906 HG23 THR 117 3HG2 THR 117 -21.435 10.799 -10.518 907 H ARG 118 H ARG 118 -21.049 9.425 -14.935 908 HA ARG 118 HA ARG 118 -19.121 9.322 -16.996 909 HB2 ARG 118 2HB ARG 118 -21.984 9.498 -16.779 910 HB3 ARG 118 3HB ARG 118 -21.409 10.638 -17.990 911 HG2 ARG 118 2HG ARG 118 -20.315 8.877 -19.205 912 HG3 ARG 118 3HG ARG 118 -20.712 7.711 -17.941 913 HD2 ARG 118 2HD ARG 118 -22.238 7.473 -19.811 914 HD3 ARG 118 3HD ARG 118 -23.101 8.062 -18.390 915 HE ARG 118 HE ARG 118 -22.235 10.213 -20.031 916 HH11 ARG 118 1HH1 ARG 118 -24.643 7.711 -19.782 917 HH12 ARG 118 2HH1 ARG 118 -25.828 8.578 -20.703 918 HH21 ARG 118 1HH2 ARG 118 -23.785 11.365 -21.244 919 HH22 ARG 118 2HH2 ARG 118 -25.338 10.657 -21.534 920 HA PRO 119 HA PRO 119 -19.747 14.089 -17.419 921 HB2 PRO 119 2HB PRO 119 -21.162 15.346 -15.472 922 HB3 PRO 119 3HB PRO 119 -21.914 14.670 -16.922 923 HG2 PRO 119 2HG PRO 119 -21.732 13.512 -14.167 924 HG3 PRO 119 3HG PRO 119 -23.112 13.542 -15.280 925 HD2 PRO 119 2HD PRO 119 -21.549 11.355 -14.954 926 HD3 PRO 119 3HD PRO 119 -22.328 11.750 -16.500 Start of MODEL 7 1 H1 GLY 2 H GLY 2 8.377 5.954 -6.461 2 HA2 GLY 2 2HA GLY 2 6.350 4.748 -5.666 3 HA3 GLY 2 3HA GLY 2 7.492 3.663 -6.444 4 H ASN 3 H ASN 3 5.780 4.361 -3.607 5 HA ASN 3 HA ASN 3 7.503 2.909 -1.809 6 HB2 ASN 3 2HB ASN 3 5.293 4.679 -1.557 7 HB3 ASN 3 3HB ASN 3 4.851 3.168 -0.768 8 HD21 ASN 3 1HD2 ASN 3 6.896 5.940 -0.706 9 HD22 ASN 3 2HD2 ASN 3 7.604 5.648 0.843 10 H LEU 4 H LEU 4 4.571 2.281 -3.648 11 HA LEU 4 HA LEU 4 3.720 -0.089 -2.528 12 HB2 LEU 4 2HB LEU 4 3.083 -0.646 -4.995 13 HB3 LEU 4 3HB LEU 4 2.302 0.688 -4.148 14 HG LEU 4 HG LEU 4 3.588 2.301 -5.341 15 HD11 LEU 4 1HD1 LEU 4 5.177 1.393 -7.168 16 HD12 LEU 4 2HD1 LEU 4 5.213 -0.066 -6.176 17 HD13 LEU 4 3HD1 LEU 4 5.743 1.474 -5.499 18 HD21 LEU 4 1HD2 LEU 4 3.119 1.497 -7.772 19 HD22 LEU 4 2HD2 LEU 4 1.774 1.772 -6.665 20 HD23 LEU 4 3HD2 LEU 4 2.342 0.130 -6.972 21 H LYS 5 H LYS 5 3.873 -2.294 -3.645 22 HA LYS 5 HA LYS 5 6.579 -3.157 -3.514 23 HB2 LYS 5 2HB LYS 5 4.178 -4.684 -4.535 24 HB3 LYS 5 3HB LYS 5 5.705 -5.371 -3.998 25 HG2 LYS 5 2HG LYS 5 5.274 -4.879 -1.756 26 HG3 LYS 5 3HG LYS 5 4.000 -3.725 -2.163 27 HD2 LYS 5 2HD LYS 5 3.227 -6.180 -3.290 28 HD3 LYS 5 3HD LYS 5 3.808 -6.548 -1.665 29 HE2 LYS 5 2HE LYS 5 2.272 -5.010 -0.687 30 HE3 LYS 5 3HE LYS 5 1.830 -4.356 -2.263 31 HZ1 LYS 5 1HZ LYS 5 1.390 -7.144 -2.221 32 HZ2 LYS 5 2HZ LYS 5 0.275 -5.898 -2.469 33 HZ3 LYS 5 3HZ LYS 5 0.609 -6.434 -0.900 34 H SER 6 H SER 6 7.923 -3.951 -5.128 35 HA SER 6 HA SER 6 7.716 -2.661 -7.653 36 HB2 SER 6 2HB SER 6 9.680 -4.309 -6.239 37 HB3 SER 6 3HB SER 6 9.659 -4.594 -7.979 38 HG SER 6 HG SER 6 9.893 -2.316 -8.251 39 H ARG 7 H ARG 7 6.474 -5.575 -6.436 40 HA ARG 7 HA ARG 7 6.441 -7.048 -8.895 41 HB2 ARG 7 2HB ARG 7 5.815 -7.549 -6.159 42 HB3 ARG 7 3HB ARG 7 4.405 -7.963 -7.124 43 HG2 ARG 7 2HG ARG 7 6.650 -9.015 -8.464 44 HG3 ARG 7 3HG ARG 7 6.823 -9.423 -6.756 45 HD2 ARG 7 2HD ARG 7 4.255 -10.034 -7.039 46 HD3 ARG 7 3HD ARG 7 4.752 -10.253 -8.716 47 HE ARG 7 HE ARG 7 5.362 -11.957 -6.505 48 HH11 ARG 7 1HH1 ARG 7 6.518 -10.812 -9.583 49 HH12 ARG 7 2HH1 ARG 7 7.486 -12.215 -9.888 50 HH21 ARG 7 1HH2 ARG 7 6.634 -13.810 -6.895 51 HH22 ARG 7 2HH2 ARG 7 7.551 -13.920 -8.360 52 H ASP 8 H ASP 8 3.705 -5.871 -6.935 53 HA ASP 8 HA ASP 8 1.813 -6.027 -8.987 54 HB2 ASP 8 2HB ASP 8 1.507 -5.701 -6.421 55 HB3 ASP 8 3HB ASP 8 1.598 -3.983 -6.798 56 H TRP 9 H TRP 9 4.020 -3.457 -8.073 57 HA TRP 9 HA TRP 9 2.858 -1.409 -9.637 58 HB2 TRP 9 2HB TRP 9 4.391 -0.822 -7.879 59 HB3 TRP 9 3HB TRP 9 5.673 -1.789 -8.606 60 HD1 TRP 9 HD1 TRP 9 7.447 -0.132 -9.421 61 HE1 TRP 9 HE1 TRP 9 7.444 2.038 -10.803 62 HE3 TRP 9 HE3 TRP 9 2.399 0.506 -9.918 63 HZ2 TRP 9 HZ2 TRP 9 5.551 3.789 -11.953 64 HZ3 TRP 9 HZ3 TRP 9 1.574 2.454 -11.174 65 HH2 TRP 9 HH2 TRP 9 3.120 4.062 -12.169 66 H LYS 10 H LYS 10 5.700 -3.474 -10.254 67 HA LYS 10 HA LYS 10 6.327 -2.594 -12.792 68 HB2 LYS 10 2HB LYS 10 7.766 -4.128 -11.600 69 HB3 LYS 10 3HB LYS 10 6.530 -5.379 -11.635 70 HG2 LYS 10 2HG LYS 10 6.964 -5.946 -13.785 71 HG3 LYS 10 3HG LYS 10 7.425 -4.304 -14.243 72 HD2 LYS 10 2HD LYS 10 9.441 -4.822 -12.593 73 HD3 LYS 10 3HD LYS 10 9.058 -6.483 -13.051 74 HE2 LYS 10 2HE LYS 10 9.021 -5.095 -15.448 75 HE3 LYS 10 3HE LYS 10 10.374 -4.387 -14.569 76 HZ1 LYS 10 1HZ LYS 10 10.168 -7.297 -14.572 77 HZ2 LYS 10 2HZ LYS 10 11.540 -6.310 -14.628 78 HZ3 LYS 10 3HZ LYS 10 10.622 -6.561 -16.027 79 H MET 11 H MET 11 3.892 -4.951 -11.808 80 HA MET 11 HA MET 11 3.193 -5.776 -14.432 81 HB2 MET 11 2HB MET 11 1.667 -5.901 -11.827 82 HB3 MET 11 3HB MET 11 1.120 -6.648 -13.321 83 HG2 MET 11 2HG MET 11 2.885 -8.191 -13.325 84 HG3 MET 11 3HG MET 11 3.790 -7.282 -12.116 85 HE1 MET 11 1HE MET 11 0.926 -9.273 -13.106 86 HE2 MET 11 2HE MET 11 0.877 -10.519 -11.857 87 HE3 MET 11 3HE MET 11 -0.180 -9.111 -11.741 88 H ALA 12 H ALA 12 2.056 -3.225 -12.293 89 HA ALA 12 HA ALA 12 -0.250 -2.489 -13.716 90 HB1 ALA 12 1HB ALA 12 0.072 -0.263 -12.580 91 HB2 ALA 12 2HB ALA 12 0.016 -1.665 -11.511 92 HB3 ALA 12 3HB ALA 12 1.564 -0.916 -11.903 93 H ILE 13 H ILE 13 3.067 -1.209 -13.884 94 HA ILE 13 HA ILE 13 2.451 0.565 -16.049 95 HB ILE 13 HB ILE 13 5.066 -0.313 -14.834 96 HG12 ILE 13 2HG1 ILE 13 3.620 1.184 -13.489 97 HG13 ILE 13 3HG1 ILE 13 5.131 1.956 -13.958 98 HG21 ILE 13 1HG2 ILE 13 5.905 1.735 -16.211 99 HG22 ILE 13 2HG2 ILE 13 5.772 0.151 -16.976 100 HG23 ILE 13 3HG2 ILE 13 4.521 1.365 -17.240 101 HD11 ILE 13 1HD1 ILE 13 2.419 2.392 -15.183 102 HD12 ILE 13 2HD1 ILE 13 3.342 3.523 -14.193 103 HD13 ILE 13 3HD1 ILE 13 3.921 3.082 -15.799 104 H LYS 14 H LYS 14 3.633 -2.698 -15.747 105 HA LYS 14 HA LYS 14 4.772 -3.032 -18.285 106 HB2 LYS 14 2HB LYS 14 5.126 -4.688 -16.578 107 HB3 LYS 14 3HB LYS 14 3.400 -5.004 -16.455 108 HG2 LYS 14 2HG LYS 14 3.382 -6.361 -18.253 109 HG3 LYS 14 3HG LYS 14 4.588 -5.407 -19.120 110 HD2 LYS 14 2HD LYS 14 6.125 -6.918 -18.578 111 HD3 LYS 14 3HD LYS 14 5.886 -6.517 -16.875 112 HE2 LYS 14 2HE LYS 14 5.270 -8.662 -16.664 113 HE3 LYS 14 3HE LYS 14 3.746 -8.131 -17.373 114 HZ1 LYS 14 1HZ LYS 14 5.282 -8.589 -19.543 115 HZ2 LYS 14 2HZ LYS 14 4.167 -9.685 -18.899 116 HZ3 LYS 14 3HZ LYS 14 5.803 -9.805 -18.489 117 H ARG 15 H ARG 15 1.455 -3.657 -17.164 118 HA ARG 15 HA ARG 15 0.533 -4.362 -19.788 119 HB2 ARG 15 2HB ARG 15 -0.646 -4.132 -17.081 120 HB3 ARG 15 3HB ARG 15 -1.750 -3.892 -18.428 121 HG2 ARG 15 2HG ARG 15 -1.947 -6.149 -18.063 122 HG3 ARG 15 3HG ARG 15 -0.709 -6.104 -19.321 123 HD2 ARG 15 2HD ARG 15 0.975 -6.081 -17.386 124 HD3 ARG 15 3HD ARG 15 -0.382 -6.580 -16.376 125 HE ARG 15 HE ARG 15 -0.001 -8.205 -18.722 126 HH11 ARG 15 1HH1 ARG 15 0.871 -7.714 -15.388 127 HH12 ARG 15 2HH1 ARG 15 1.331 -9.364 -15.130 128 HH21 ARG 15 1HH2 ARG 15 0.601 -10.381 -18.394 129 HH22 ARG 15 2HH2 ARG 15 1.177 -10.880 -16.841 130 H CYS 16 H CYS 16 0.528 -1.479 -17.787 131 HA CYS 16 HA CYS 16 -1.327 0.084 -19.119 132 HB2 CYS 16 2HB CYS 16 0.908 0.534 -17.308 133 HB3 CYS 16 3HB CYS 16 0.707 1.860 -18.449 134 HG CYS 16 HG CYS 16 -1.514 0.752 -16.113 135 H SER 17 H SER 17 2.090 -0.445 -19.873 136 HA SER 17 HA SER 17 2.336 1.407 -21.951 137 HB2 SER 17 2HB SER 17 4.013 -0.404 -20.739 138 HB3 SER 17 3HB SER 17 3.839 -1.084 -22.357 139 HG SER 17 HG SER 17 5.562 0.538 -22.010 140 H ASN 18 H ASN 18 0.695 -1.610 -21.821 141 HA ASN 18 HA ASN 18 0.550 -1.818 -24.733 142 HB2 ASN 18 2HB ASN 18 0.791 -3.756 -22.848 143 HB3 ASN 18 3HB ASN 18 -0.956 -3.739 -23.066 144 HD21 ASN 18 1HD2 ASN 18 2.042 -4.697 -24.342 145 HD22 ASN 18 2HD2 ASN 18 1.461 -5.394 -25.812 146 H VAL 19 H VAL 19 -0.766 0.340 -23.207 147 HA VAL 19 HA VAL 19 -3.595 -0.283 -23.703 148 HB VAL 19 HB VAL 19 -2.379 1.997 -22.137 149 HG11 VAL 19 1HG1 VAL 19 -4.674 2.492 -21.448 150 HG12 VAL 19 2HG1 VAL 19 -4.482 2.638 -23.196 151 HG13 VAL 19 3HG1 VAL 19 -5.269 1.216 -22.510 152 HG21 VAL 19 1HG2 VAL 19 -2.252 -0.354 -21.173 153 HG22 VAL 19 2HG2 VAL 19 -3.025 0.873 -20.171 154 HG23 VAL 19 3HG2 VAL 19 -4.010 -0.287 -21.061 155 H ALA 20 H ALA 20 -4.852 0.990 -25.037 156 HA ALA 20 HA ALA 20 -3.371 2.567 -26.993 157 HB1 ALA 20 1HB ALA 20 -6.298 1.909 -27.116 158 HB2 ALA 20 2HB ALA 20 -5.199 2.298 -28.439 159 HB3 ALA 20 3HB ALA 20 -5.056 0.754 -27.600 160 H VAL 21 H VAL 21 -3.216 4.692 -26.779 161 HA VAL 21 HA VAL 21 -4.837 6.151 -24.916 162 HB VAL 21 HB VAL 21 -2.538 6.811 -25.166 163 HG11 VAL 21 1HG1 VAL 21 -1.865 7.936 -27.371 164 HG12 VAL 21 2HG1 VAL 21 -1.929 6.172 -27.330 165 HG13 VAL 21 3HG1 VAL 21 -3.245 7.087 -28.068 166 HG21 VAL 21 1HG2 VAL 21 -2.796 9.145 -25.337 167 HG22 VAL 21 2HG2 VAL 21 -4.136 8.996 -26.475 168 HG23 VAL 21 3HG2 VAL 21 -4.359 8.545 -24.784 169 H GLY 22 H GLY 22 -4.895 5.546 -28.333 170 HA2 GLY 22 2HA GLY 22 -6.410 6.122 -29.958 171 HA3 GLY 22 3HA GLY 22 -7.513 6.526 -28.650 172 H VAL 23 H VAL 23 -7.637 7.992 -30.914 173 HA VAL 23 HA VAL 23 -7.255 10.626 -29.975 174 HB VAL 23 HB VAL 23 -4.910 10.261 -30.484 175 HG11 VAL 23 1HG1 VAL 23 -5.695 9.749 -33.345 176 HG12 VAL 23 2HG1 VAL 23 -4.094 9.614 -32.616 177 HG13 VAL 23 3HG1 VAL 23 -5.359 8.461 -32.189 178 HG21 VAL 23 1HG2 VAL 23 -6.058 11.969 -32.680 179 HG22 VAL 23 2HG2 VAL 23 -6.051 12.461 -30.986 180 HG23 VAL 23 3HG2 VAL 23 -4.527 12.174 -31.828 181 H GLY 24 H GLY 24 -7.665 8.497 -32.754 182 HA2 GLY 24 2HA GLY 24 -10.077 9.155 -33.641 183 HA3 GLY 24 3HA GLY 24 -9.158 10.544 -34.201 184 H GLY 25 H GLY 25 -6.794 8.604 -34.509 185 HA2 GLY 25 2HA GLY 25 -7.503 6.742 -36.527 186 HA3 GLY 25 3HA GLY 25 -6.954 8.241 -37.261 187 H LYS 26 H LYS 26 -5.627 5.841 -37.664 188 HA LYS 26 HA LYS 26 -3.533 4.954 -37.675 189 HB2 LYS 26 2HB LYS 26 -3.182 7.692 -37.588 190 HB3 LYS 26 3HB LYS 26 -2.187 7.126 -36.251 191 HG2 LYS 26 2HG LYS 26 -0.613 6.864 -37.813 192 HG3 LYS 26 3HG LYS 26 -1.486 5.383 -38.215 193 HD2 LYS 26 2HD LYS 26 -2.887 7.209 -39.648 194 HD3 LYS 26 3HD LYS 26 -1.272 7.920 -39.693 195 HE2 LYS 26 2HE LYS 26 -0.349 5.962 -40.672 196 HE3 LYS 26 3HE LYS 26 -1.822 5.041 -40.377 197 HZ1 LYS 26 1HZ LYS 26 -1.150 6.550 -42.633 198 HZ2 LYS 26 2HZ LYS 26 -2.481 7.294 -41.901 199 HZ3 LYS 26 3HZ LYS 26 -2.563 5.665 -42.351 200 H SER 27 H SER 27 -1.600 4.424 -36.175 201 HA SER 27 HA SER 27 -2.677 3.238 -33.818 202 HB2 SER 27 2HB SER 27 -0.142 3.168 -35.292 203 HB3 SER 27 3HB SER 27 0.051 3.013 -33.546 204 HG SER 27 HG SER 27 -0.475 1.074 -35.058 205 H LYS 28 H LYS 28 -2.402 3.766 -31.690 206 HA LYS 28 HA LYS 28 -0.664 5.903 -30.866 207 HB2 LYS 28 2HB LYS 28 -3.083 6.744 -31.781 208 HB3 LYS 28 3HB LYS 28 -3.447 6.486 -30.080 209 HG2 LYS 28 2HG LYS 28 -2.779 8.654 -29.996 210 HG3 LYS 28 3HG LYS 28 -1.217 7.866 -29.758 211 HD2 LYS 28 2HD LYS 28 -0.486 8.375 -31.878 212 HD3 LYS 28 3HD LYS 28 -2.122 8.463 -32.536 213 HE2 LYS 28 2HE LYS 28 -1.209 10.679 -32.467 214 HE3 LYS 28 3HE LYS 28 -2.466 10.555 -31.237 215 HZ1 LYS 28 1HZ LYS 28 0.463 10.407 -30.774 216 HZ2 LYS 28 2HZ LYS 28 -0.714 10.189 -29.581 217 HZ3 LYS 28 3HZ LYS 28 -0.557 11.688 -30.348 218 H LYS 29 H LYS 29 0.226 4.770 -29.243 219 HA LYS 29 HA LYS 29 -1.588 3.608 -27.231 220 HB2 LYS 29 2HB LYS 29 0.103 1.954 -26.730 221 HB3 LYS 29 3HB LYS 29 -0.248 1.919 -28.454 222 HG2 LYS 29 2HG LYS 29 1.794 3.553 -28.591 223 HG3 LYS 29 3HG LYS 29 2.205 2.829 -27.034 224 HD2 LYS 29 2HD LYS 29 2.514 0.726 -27.947 225 HD3 LYS 29 3HD LYS 29 1.496 1.071 -29.346 226 HE2 LYS 29 2HE LYS 29 3.334 1.526 -30.508 227 HE3 LYS 29 3HE LYS 29 3.615 2.909 -29.451 228 HZ1 LYS 29 1HZ LYS 29 4.811 1.391 -27.937 229 HZ2 LYS 29 2HZ LYS 29 5.548 1.529 -29.454 230 HZ3 LYS 29 3HZ LYS 29 4.643 0.150 -29.076 231 H PHE 30 H PHE 30 -1.139 3.953 -25.063 232 HA PHE 30 HA PHE 30 -0.053 6.402 -24.331 233 HB2 PHE 30 2HB PHE 30 -1.161 4.092 -22.978 234 HB3 PHE 30 3HB PHE 30 0.173 4.783 -22.060 235 HD1 PHE 30 HD1 PHE 30 -3.244 5.203 -23.158 236 HD2 PHE 30 HD2 PHE 30 0.070 7.141 -21.321 237 HE1 PHE 30 HE1 PHE 30 -4.746 6.957 -22.309 238 HE2 PHE 30 HE2 PHE 30 -1.426 8.898 -20.466 239 HZ PHE 30 HZ PHE 30 -3.837 8.807 -20.960 240 H GLY 31 H GLY 31 1.723 6.489 -22.501 241 HA2 GLY 31 2HA GLY 31 3.981 4.737 -23.076 242 HA3 GLY 31 3HA GLY 31 4.190 6.433 -23.484 243 H GLU 32 H GLU 32 5.951 5.451 -21.758 244 HA GLU 32 HA GLU 32 5.262 5.443 -19.044 245 HB2 GLU 32 2HB GLU 32 7.806 5.859 -20.558 246 HB3 GLU 32 3HB GLU 32 7.779 6.191 -18.831 247 HG2 GLU 32 2HG GLU 32 6.718 3.814 -18.681 248 HG3 GLU 32 3HG GLU 32 7.456 3.603 -20.268 249 H GLY 33 H GLY 33 6.330 8.080 -21.156 250 HA2 GLY 33 2HA GLY 33 6.432 10.051 -19.111 251 HA3 GLY 33 3HA GLY 33 6.376 10.358 -20.840 252 H ASN 34 H ASN 34 3.920 9.095 -21.413 253 HA ASN 34 HA ASN 34 2.119 11.173 -20.915 254 HB2 ASN 34 2HB ASN 34 1.635 8.309 -21.755 255 HB3 ASN 34 3HB ASN 34 0.378 9.543 -21.726 256 HD21 ASN 34 1HD2 ASN 34 1.540 11.720 -22.728 257 HD22 ASN 34 2HD2 ASN 34 2.085 11.449 -24.345 258 H PHE 35 H PHE 35 2.296 7.937 -19.442 259 HA PHE 35 HA PHE 35 0.163 8.330 -17.639 260 HB2 PHE 35 2HB PHE 35 2.424 6.380 -17.841 261 HB3 PHE 35 3HB PHE 35 1.471 6.433 -16.362 262 HD1 PHE 35 HD1 PHE 35 -1.206 6.662 -17.005 263 HD2 PHE 35 HD2 PHE 35 1.821 4.700 -19.264 264 HE1 PHE 35 HE1 PHE 35 -2.917 5.240 -18.056 265 HE2 PHE 35 HE2 PHE 35 0.115 3.276 -20.320 266 HZ PHE 35 HZ PHE 35 -2.258 3.546 -19.717 267 H ARG 36 H ARG 36 3.682 8.609 -17.221 268 HA ARG 36 HA ARG 36 3.709 9.268 -14.515 269 HB2 ARG 36 2HB ARG 36 5.559 9.799 -16.806 270 HB3 ARG 36 3HB ARG 36 5.861 10.587 -15.263 271 HG2 ARG 36 2HG ARG 36 5.458 7.994 -14.509 272 HG3 ARG 36 3HG ARG 36 6.266 7.813 -16.067 273 HD2 ARG 36 2HD ARG 36 8.169 8.940 -15.350 274 HD3 ARG 36 3HD ARG 36 7.322 9.716 -14.013 275 HE ARG 36 HE ARG 36 8.612 7.172 -13.979 276 HH11 ARG 36 1HH1 ARG 36 5.968 8.995 -12.634 277 HH12 ARG 36 2HH1 ARG 36 5.905 8.071 -11.170 278 HH21 ARG 36 1HH2 ARG 36 8.537 5.947 -12.057 279 HH22 ARG 36 2HH2 ARG 36 7.367 6.338 -10.842 280 H TRP 37 H TRP 37 2.837 11.162 -17.280 281 HA TRP 37 HA TRP 37 3.103 13.716 -16.008 282 HB2 TRP 37 2HB TRP 37 3.243 13.662 -18.396 283 HB3 TRP 37 3HB TRP 37 1.702 12.818 -18.529 284 HD1 TRP 37 HD1 TRP 37 3.159 16.299 -17.870 285 HE1 TRP 37 HE1 TRP 37 1.294 18.043 -18.199 286 HE3 TRP 37 HE3 TRP 37 -0.816 13.137 -18.452 287 HZ2 TRP 37 HZ2 TRP 37 -1.492 18.074 -18.646 288 HZ3 TRP 37 HZ3 TRP 37 -3.047 14.104 -18.826 289 HH2 TRP 37 HH2 TRP 37 -3.377 16.521 -18.920 290 H ALA 38 H ALA 38 0.262 11.801 -17.010 291 HA ALA 38 HA ALA 38 -1.639 13.423 -15.722 292 HB1 ALA 38 1HB ALA 38 -2.880 11.025 -15.786 293 HB2 ALA 38 2HB ALA 38 -2.747 12.107 -17.174 294 HB3 ALA 38 3HB ALA 38 -1.615 10.768 -16.987 295 H ILE 39 H ILE 39 0.054 10.497 -14.658 296 HA ILE 39 HA ILE 39 -1.298 10.161 -12.219 297 HB ILE 39 HB ILE 39 1.507 9.375 -13.010 298 HG12 ILE 39 2HG1 ILE 39 -0.373 8.347 -14.285 299 HG13 ILE 39 3HG1 ILE 39 0.566 7.175 -13.366 300 HG21 ILE 39 1HG2 ILE 39 0.909 7.668 -11.030 301 HG22 ILE 39 2HG2 ILE 39 1.776 9.180 -10.773 302 HG23 ILE 39 3HG2 ILE 39 0.043 9.094 -10.461 303 HD11 ILE 39 1HD1 ILE 39 -2.203 7.566 -13.333 304 HD12 ILE 39 2HD1 ILE 39 -1.249 6.494 -12.307 305 HD13 ILE 39 3HD1 ILE 39 -1.608 8.137 -11.773 306 H ARG 40 H ARG 40 1.867 11.680 -12.856 307 HA ARG 40 HA ARG 40 2.293 12.587 -10.234 308 HB2 ARG 40 2HB ARG 40 4.049 12.427 -11.986 309 HB3 ARG 40 3HB ARG 40 3.328 13.810 -12.797 310 HG2 ARG 40 2HG ARG 40 4.302 15.266 -11.418 311 HG3 ARG 40 3HG ARG 40 3.917 14.306 -9.988 312 HD2 ARG 40 2HD ARG 40 6.183 14.103 -9.951 313 HD3 ARG 40 3HD ARG 40 5.803 12.741 -11.004 314 HE ARG 40 HE ARG 40 6.133 14.876 -12.689 315 HH11 ARG 40 1HH1 ARG 40 8.070 13.277 -10.279 316 HH12 ARG 40 2HH1 ARG 40 9.575 13.647 -11.054 317 HH21 ARG 40 1HH2 ARG 40 8.107 15.372 -13.719 318 HH22 ARG 40 2HH2 ARG 40 9.594 14.840 -13.009 319 H MET 41 H MET 41 1.005 14.294 -13.081 320 HA MET 41 HA MET 41 0.557 16.761 -11.853 321 HB2 MET 41 2HB MET 41 -0.787 15.399 -14.181 322 HB3 MET 41 3HB MET 41 -1.219 17.026 -13.672 323 HG2 MET 41 2HG MET 41 1.605 16.272 -14.333 324 HG3 MET 41 3HG MET 41 0.457 16.777 -15.571 325 HE1 MET 41 1HE MET 41 3.443 18.548 -13.997 326 HE2 MET 41 2HE MET 41 2.706 19.191 -12.529 327 HE3 MET 41 3HE MET 41 2.700 17.453 -12.831 328 H ALA 42 H ALA 42 -1.473 13.880 -12.043 329 HA ALA 42 HA ALA 42 -3.830 14.962 -10.989 330 HB1 ALA 42 1HB ALA 42 -3.952 12.837 -12.012 331 HB2 ALA 42 2HB ALA 42 -2.718 12.168 -10.943 332 HB3 ALA 42 3HB ALA 42 -4.311 12.576 -10.305 333 H ASN 43 H ASN 43 -1.060 13.446 -9.369 334 HA ASN 43 HA ASN 43 -2.105 13.519 -6.761 335 HB2 ASN 43 2HB ASN 43 0.830 13.785 -7.386 336 HB3 ASN 43 3HB ASN 43 0.069 12.978 -6.019 337 HD21 ASN 43 1HD2 ASN 43 1.972 12.104 -8.174 338 HD22 ASN 43 2HD2 ASN 43 1.263 10.665 -8.816 339 H VAL 44 H VAL 44 0.191 15.736 -8.352 340 HA VAL 44 HA VAL 44 0.357 17.597 -6.271 341 HB VAL 44 HB VAL 44 0.646 18.102 -9.236 342 HG11 VAL 44 1HG1 VAL 44 1.230 19.752 -6.816 343 HG12 VAL 44 2HG1 VAL 44 2.234 19.921 -8.257 344 HG13 VAL 44 3HG1 VAL 44 0.499 20.227 -8.349 345 HG21 VAL 44 1HG2 VAL 44 2.353 16.802 -7.239 346 HG22 VAL 44 2HG2 VAL 44 2.375 16.687 -8.999 347 HG23 VAL 44 3HG2 VAL 44 3.162 18.046 -8.194 348 H SER 45 H SER 45 -1.844 17.417 -9.037 349 HA SER 45 HA SER 45 -3.126 19.877 -8.693 350 HB2 SER 45 2HB SER 45 -4.120 17.268 -9.851 351 HB3 SER 45 3HB SER 45 -5.047 18.767 -9.914 352 HG SER 45 HG SER 45 -2.415 18.474 -10.932 353 H THR 46 H THR 46 -3.414 16.898 -6.954 354 HA THR 46 HA THR 46 -5.775 17.908 -5.521 355 HB THR 46 HB THR 46 -5.826 15.527 -4.574 356 HG1 THR 46 HG1 THR 46 -4.417 14.769 -6.880 357 HG21 THR 46 1HG2 THR 46 -7.394 16.370 -6.283 358 HG22 THR 46 2HG2 THR 46 -7.012 14.664 -6.516 359 HG23 THR 46 3HG2 THR 46 -6.260 15.884 -7.542 360 H GLY 47 H GLY 47 -3.167 18.989 -5.024 361 HA2 GLY 47 2HA GLY 47 -1.742 19.476 -3.288 362 HA3 GLY 47 3HA GLY 47 -3.115 19.087 -2.263 363 H ARG 48 H ARG 48 -0.963 17.151 -4.345 364 HA ARG 48 HA ARG 48 -0.190 15.598 -1.978 365 HB2 ARG 48 2HB ARG 48 -1.938 14.672 -3.969 366 HB3 ARG 48 3HB ARG 48 -0.394 13.902 -4.308 367 HG2 ARG 48 2HG ARG 48 -0.458 12.631 -2.443 368 HG3 ARG 48 3HG ARG 48 -1.285 13.869 -1.495 369 HD2 ARG 48 2HD ARG 48 -3.268 13.319 -3.140 370 HD3 ARG 48 3HD ARG 48 -2.408 11.789 -3.307 371 HE ARG 48 HE ARG 48 -2.631 12.292 -0.591 372 HH11 ARG 48 1HH1 ARG 48 -4.753 11.737 -3.295 373 HH12 ARG 48 2HH1 ARG 48 -5.999 11.013 -2.335 374 HH21 ARG 48 1HH2 ARG 48 -4.266 11.341 0.684 375 HH22 ARG 48 2HH2 ARG 48 -5.723 10.790 -0.072 376 H GLU 49 H GLU 49 1.791 14.373 -2.252 377 HA GLU 49 HA GLU 49 3.886 15.826 -3.308 378 HB2 GLU 49 2HB GLU 49 3.540 13.029 -2.382 379 HB3 GLU 49 3HB GLU 49 4.968 13.367 -3.350 380 HG2 GLU 49 2HG GLU 49 5.887 13.870 -1.374 381 HG3 GLU 49 3HG GLU 49 5.074 15.416 -1.603 382 HA PRO 50 HA PRO 50 4.093 15.082 -7.625 383 HB2 PRO 50 2HB PRO 50 6.762 14.815 -8.046 384 HB3 PRO 50 3HB PRO 50 6.002 16.362 -7.658 385 HG2 PRO 50 2HG PRO 50 7.462 14.465 -5.860 386 HG3 PRO 50 3HG PRO 50 7.562 16.234 -5.938 387 HD2 PRO 50 2HD PRO 50 6.106 14.938 -4.057 388 HD3 PRO 50 3HD PRO 50 5.635 16.522 -4.706 389 H GLY 51 H GLY 51 6.308 12.894 -5.872 390 HA2 GLY 51 2HA GLY 51 5.933 10.836 -7.891 391 HA3 GLY 51 3HA GLY 51 7.001 10.750 -6.497 392 H ASP 52 H ASP 52 3.509 10.964 -7.188 393 HA ASP 52 HA ASP 52 3.043 9.117 -4.947 394 HB2 ASP 52 2HB ASP 52 1.722 11.502 -5.801 395 HB3 ASP 52 3HB ASP 52 0.592 10.158 -5.947 396 H ILE 53 H ILE 53 2.785 7.065 -5.500 397 HA ILE 53 HA ILE 53 1.544 6.451 -8.102 398 HB ILE 53 HB ILE 53 3.382 4.679 -6.490 399 HG12 ILE 53 2HG1 ILE 53 4.502 6.705 -7.425 400 HG13 ILE 53 3HG1 ILE 53 5.105 5.197 -8.102 401 HG21 ILE 53 1HG2 ILE 53 3.454 3.327 -8.549 402 HG22 ILE 53 2HG2 ILE 53 1.834 3.421 -7.860 403 HG23 ILE 53 3HG2 ILE 53 2.250 4.394 -9.270 404 HD11 ILE 53 1HD1 ILE 53 4.641 7.203 -9.658 405 HD12 ILE 53 2HD1 ILE 53 4.140 5.588 -10.159 406 HD13 ILE 53 3HD1 ILE 53 2.953 6.717 -9.504 407 HA PRO 54 HA PRO 54 -1.434 5.047 -4.834 408 HB2 PRO 54 2HB PRO 54 -3.640 5.941 -6.141 409 HB3 PRO 54 3HB PRO 54 -2.682 6.963 -5.062 410 HG2 PRO 54 2HG PRO 54 -2.634 6.796 -8.050 411 HG3 PRO 54 3HG PRO 54 -2.589 8.231 -7.008 412 HD2 PRO 54 2HD PRO 54 -0.367 7.196 -8.158 413 HD3 PRO 54 3HD PRO 54 -0.337 8.002 -6.577 414 H GLU 55 H GLU 55 -1.647 2.901 -5.015 415 HA GLU 55 HA GLU 55 -2.648 1.804 -7.560 416 HB2 GLU 55 2HB GLU 55 -0.324 1.126 -6.627 417 HB3 GLU 55 3HB GLU 55 -1.241 0.169 -5.471 418 HG2 GLU 55 2HG GLU 55 -0.664 -1.284 -7.228 419 HG3 GLU 55 3HG GLU 55 -2.376 -0.915 -7.435 420 H THR 56 H THR 56 -4.544 2.838 -5.943 421 HA THR 56 HA THR 56 -5.987 0.445 -5.101 422 HB THR 56 HB THR 56 -6.630 1.283 -2.968 423 HG1 THR 56 HG1 THR 56 -6.407 3.346 -2.388 424 HG21 THR 56 1HG2 THR 56 -4.484 1.499 -1.794 425 HG22 THR 56 2HG2 THR 56 -3.672 1.775 -3.335 426 HG23 THR 56 3HG2 THR 56 -4.431 0.219 -3.005 427 H LEU 57 H LEU 57 -8.031 0.485 -5.788 428 HA LEU 57 HA LEU 57 -9.056 2.433 -7.457 429 HB2 LEU 57 2HB LEU 57 -9.988 0.020 -6.221 430 HB3 LEU 57 3HB LEU 57 -11.263 1.236 -6.185 431 HG LEU 57 HG LEU 57 -11.212 1.434 -8.584 432 HD11 LEU 57 1HD1 LEU 57 -8.926 1.203 -9.117 433 HD12 LEU 57 2HD1 LEU 57 -9.744 -0.154 -9.888 434 HD13 LEU 57 3HD1 LEU 57 -8.841 -0.403 -8.395 435 HD21 LEU 57 1HD2 LEU 57 -11.593 -1.092 -9.140 436 HD22 LEU 57 2HD2 LEU 57 -12.694 -0.243 -8.054 437 HD23 LEU 57 3HD2 LEU 57 -11.438 -1.292 -7.394 438 H ASP 58 H ASP 58 -9.108 2.257 -3.981 439 HA ASP 58 HA ASP 58 -11.159 4.168 -3.538 440 HB2 ASP 58 2HB ASP 58 -8.943 3.046 -1.843 441 HB3 ASP 58 3HB ASP 58 -9.953 4.362 -1.251 442 H GLN 59 H GLN 59 -7.608 4.423 -3.485 443 HA GLN 59 HA GLN 59 -7.528 7.197 -2.997 444 HB2 GLN 59 2HB GLN 59 -5.540 5.258 -4.157 445 HB3 GLN 59 3HB GLN 59 -5.173 6.970 -4.001 446 HG2 GLN 59 2HG GLN 59 -5.458 6.861 -1.613 447 HG3 GLN 59 3HG GLN 59 -5.975 5.179 -1.719 448 HE21 GLN 59 1HE2 GLN 59 -4.193 4.070 -3.394 449 HE22 GLN 59 2HE2 GLN 59 -2.597 4.156 -2.737 450 H LEU 60 H LEU 60 -7.430 5.317 -5.998 451 HA LEU 60 HA LEU 60 -7.045 7.515 -7.731 452 HB2 LEU 60 2HB LEU 60 -7.807 4.678 -7.994 453 HB3 LEU 60 3HB LEU 60 -8.322 5.737 -9.305 454 HG LEU 60 HG LEU 60 -6.229 4.656 -9.862 455 HD11 LEU 60 1HD1 LEU 60 -5.682 6.506 -10.951 456 HD12 LEU 60 2HD1 LEU 60 -4.975 7.185 -9.484 457 HD13 LEU 60 3HD1 LEU 60 -6.682 7.446 -9.843 458 HD21 LEU 60 1HD2 LEU 60 -5.400 5.708 -7.191 459 HD22 LEU 60 2HD2 LEU 60 -4.194 5.481 -8.459 460 HD23 LEU 60 3HD2 LEU 60 -5.152 4.111 -7.897 461 H ARG 61 H ARG 61 -9.862 6.153 -6.211 462 HA ARG 61 HA ARG 61 -11.763 7.467 -7.913 463 HB2 ARG 61 2HB ARG 61 -12.452 5.445 -6.826 464 HB3 ARG 61 3HB ARG 61 -12.023 6.083 -5.245 465 HG2 ARG 61 2HG ARG 61 -13.986 7.697 -6.692 466 HG3 ARG 61 3HG ARG 61 -14.528 6.063 -6.301 467 HD2 ARG 61 2HD ARG 61 -13.245 7.842 -4.252 468 HD3 ARG 61 3HD ARG 61 -14.974 7.911 -4.587 469 HE ARG 61 HE ARG 61 -13.574 5.873 -3.135 470 HH11 ARG 61 1HH1 ARG 61 -16.377 6.564 -5.081 471 HH12 ARG 61 2HH1 ARG 61 -17.320 5.270 -4.415 472 HH21 ARG 61 1HH2 ARG 61 -14.804 4.168 -2.250 473 HH22 ARG 61 2HH2 ARG 61 -16.424 3.909 -2.804 474 H LEU 62 H LEU 62 -10.117 8.204 -4.921 475 HA LEU 62 HA LEU 62 -11.789 10.444 -4.260 476 HB2 LEU 62 2HB LEU 62 -9.834 8.911 -2.960 477 HB3 LEU 62 3HB LEU 62 -9.189 10.550 -3.038 478 HG LEU 62 HG LEU 62 -10.340 10.180 -0.936 479 HD11 LEU 62 1HD1 LEU 62 -11.762 12.102 -0.951 480 HD12 LEU 62 2HD1 LEU 62 -12.001 11.976 -2.693 481 HD13 LEU 62 3HD1 LEU 62 -10.416 12.406 -2.050 482 HD21 LEU 62 1HD2 LEU 62 -11.914 8.518 -1.304 483 HD22 LEU 62 2HD2 LEU 62 -12.576 9.317 -2.731 484 HD23 LEU 62 3HD2 LEU 62 -12.909 9.963 -1.123 485 H VAL 63 H VAL 63 -8.694 9.956 -5.863 486 HA VAL 63 HA VAL 63 -8.067 12.741 -6.060 487 HB VAL 63 HB VAL 63 -6.330 10.975 -6.124 488 HG11 VAL 63 1HG1 VAL 63 -7.305 10.416 -8.920 489 HG12 VAL 63 2HG1 VAL 63 -5.996 9.607 -8.054 490 HG13 VAL 63 3HG1 VAL 63 -7.667 9.396 -7.528 491 HG21 VAL 63 1HG2 VAL 63 -5.642 13.077 -6.923 492 HG22 VAL 63 2HG2 VAL 63 -5.102 11.923 -8.142 493 HG23 VAL 63 3HG2 VAL 63 -6.546 12.894 -8.427 494 H ILE 64 H ILE 64 -9.729 10.402 -8.072 495 HA ILE 64 HA ILE 64 -9.833 12.120 -10.377 496 HB ILE 64 HB ILE 64 -9.880 9.622 -10.521 497 HG12 ILE 64 2HG1 ILE 64 -12.215 11.100 -11.752 498 HG13 ILE 64 3HG1 ILE 64 -10.584 11.012 -12.408 499 HG21 ILE 64 1HG2 ILE 64 -12.742 9.904 -9.625 500 HG22 ILE 64 2HG2 ILE 64 -11.898 8.417 -10.052 501 HG23 ILE 64 3HG2 ILE 64 -11.435 9.310 -8.603 502 HD11 ILE 64 1HD1 ILE 64 -10.832 8.619 -12.738 503 HD12 ILE 64 2HD1 ILE 64 -12.453 8.683 -12.045 504 HD13 ILE 64 3HD1 ILE 64 -12.111 9.510 -13.564 505 H CYS 65 H CYS 65 -11.878 11.404 -7.633 506 HA CYS 65 HA CYS 65 -14.218 12.667 -8.686 507 HB2 CYS 65 2HB CYS 65 -14.287 10.914 -6.924 508 HB3 CYS 65 3HB CYS 65 -13.529 12.044 -5.808 509 HG CYS 65 HG CYS 65 -15.697 13.883 -5.971 510 H ASP 66 H ASP 66 -11.558 13.655 -6.596 511 HA ASP 66 HA ASP 66 -12.691 16.232 -6.022 512 HB2 ASP 66 2HB ASP 66 -10.120 14.841 -5.419 513 HB3 ASP 66 3HB ASP 66 -10.164 16.598 -5.298 514 H LEU 67 H LEU 67 -10.018 15.063 -8.056 515 HA LEU 67 HA LEU 67 -9.238 17.533 -9.099 516 HB2 LEU 67 2HB LEU 67 -7.866 15.580 -9.363 517 HB3 LEU 67 3HB LEU 67 -9.119 14.775 -10.303 518 HG LEU 67 HG LEU 67 -8.786 16.680 -11.998 519 HD11 LEU 67 1HD1 LEU 67 -6.252 17.354 -11.851 520 HD12 LEU 67 2HD1 LEU 67 -6.514 17.110 -10.124 521 HD13 LEU 67 3HD1 LEU 67 -7.490 18.284 -11.006 522 HD21 LEU 67 1HD2 LEU 67 -7.456 14.190 -11.577 523 HD22 LEU 67 2HD2 LEU 67 -6.329 15.328 -12.318 524 HD23 LEU 67 3HD2 LEU 67 -7.874 14.982 -13.096 525 H GLN 68 H GLN 68 -11.613 15.191 -10.305 526 HA GLN 68 HA GLN 68 -12.282 16.624 -12.648 527 HB2 GLN 68 2HB GLN 68 -12.777 14.213 -12.266 528 HB3 GLN 68 3HB GLN 68 -14.010 14.684 -11.104 529 HG2 GLN 68 2HG GLN 68 -15.442 15.443 -12.715 530 HG3 GLN 68 3HG GLN 68 -14.146 15.803 -13.854 531 HE21 GLN 68 1HE2 GLN 68 -15.525 13.005 -12.157 532 HE22 GLN 68 2HE2 GLN 68 -15.480 11.942 -13.518 533 H GLU 69 H GLU 69 -14.106 16.272 -9.599 534 HA GLU 69 HA GLU 69 -16.095 18.129 -10.164 535 HB2 GLU 69 2HB GLU 69 -16.079 16.513 -8.251 536 HB3 GLU 69 3HB GLU 69 -14.928 17.563 -7.436 537 HG2 GLU 69 2HG GLU 69 -17.308 18.970 -8.343 538 HG3 GLU 69 3HG GLU 69 -17.657 17.671 -7.205 539 H ARG 70 H ARG 70 -12.809 18.602 -9.134 540 HA ARG 70 HA ARG 70 -13.059 21.259 -8.190 541 HB2 ARG 70 2HB ARG 70 -10.828 19.468 -8.983 542 HB3 ARG 70 3HB ARG 70 -10.497 21.196 -8.986 543 HG2 ARG 70 2HG ARG 70 -11.100 21.365 -6.662 544 HG3 ARG 70 3HG ARG 70 -11.600 19.673 -6.636 545 HD2 ARG 70 2HD ARG 70 -9.425 18.893 -6.745 546 HD3 ARG 70 3HD ARG 70 -8.819 20.388 -7.458 547 HE ARG 70 HE ARG 70 -8.430 21.160 -5.351 548 HH11 ARG 70 1HH1 ARG 70 -10.791 18.609 -5.175 549 HH12 ARG 70 2HH1 ARG 70 -10.846 18.601 -3.443 550 HH21 ARG 70 1HH2 ARG 70 -8.492 21.160 -3.071 551 HH22 ARG 70 2HH2 ARG 70 -9.538 20.053 -2.247 552 H ARG 71 H ARG 71 -11.555 20.130 -11.224 553 HA ARG 71 HA ARG 71 -11.508 22.666 -12.434 554 HB2 ARG 71 2HB ARG 71 -10.086 20.828 -13.190 555 HB3 ARG 71 3HB ARG 71 -11.502 19.927 -13.712 556 HG2 ARG 71 2HG ARG 71 -10.266 21.036 -15.553 557 HG3 ARG 71 3HG ARG 71 -11.960 21.515 -15.438 558 HD2 ARG 71 2HD ARG 71 -10.442 23.421 -15.851 559 HD3 ARG 71 3HD ARG 71 -11.350 23.575 -14.348 560 HE ARG 71 HE ARG 71 -9.053 22.452 -13.519 561 HH11 ARG 71 1HH1 ARG 71 -9.723 25.204 -15.544 562 HH12 ARG 71 2HH1 ARG 71 -8.287 26.058 -15.083 563 HH21 ARG 71 1HH2 ARG 71 -7.159 23.565 -12.905 564 HH22 ARG 71 2HH2 ARG 71 -6.829 25.124 -13.583 565 H GLU 72 H GLU 72 -13.775 19.952 -12.827 566 HA GLU 72 HA GLU 72 -15.437 20.978 -14.759 567 HB2 GLU 72 2HB GLU 72 -16.062 19.270 -12.355 568 HB3 GLU 72 3HB GLU 72 -17.271 19.664 -13.568 569 HG2 GLU 72 2HG GLU 72 -14.691 18.504 -14.473 570 HG3 GLU 72 3HG GLU 72 -15.863 17.447 -13.689 571 H LYS 73 H LYS 73 -15.540 21.583 -11.269 572 HA LYS 73 HA LYS 73 -17.855 23.214 -11.322 573 HB2 LYS 73 2HB LYS 73 -17.154 22.199 -9.252 574 HB3 LYS 73 3HB LYS 73 -15.593 23.007 -9.329 575 HG2 LYS 73 2HG LYS 73 -16.755 25.180 -9.103 576 HG3 LYS 73 3HG LYS 73 -18.276 24.306 -8.903 577 HD2 LYS 73 2HD LYS 73 -16.574 23.098 -7.086 578 HD3 LYS 73 3HD LYS 73 -16.151 24.809 -6.985 579 HE2 LYS 73 2HE LYS 73 -18.598 25.299 -6.736 580 HE3 LYS 73 3HE LYS 73 -18.870 23.562 -6.611 581 HZ1 LYS 73 1HZ LYS 73 -17.357 25.302 -4.753 582 HZ2 LYS 73 2HZ LYS 73 -17.238 23.616 -4.714 583 HZ3 LYS 73 3HZ LYS 73 -18.726 24.366 -4.422 584 H PHE 74 H PHE 74 -14.442 23.854 -11.768 585 HA PHE 74 HA PHE 74 -14.862 26.733 -11.786 586 HB2 PHE 74 2HB PHE 74 -12.574 24.939 -11.529 587 HB3 PHE 74 3HB PHE 74 -12.264 26.277 -12.631 588 HD1 PHE 74 HD1 PHE 74 -14.068 25.898 -9.383 589 HD2 PHE 74 HD2 PHE 74 -11.115 27.983 -11.631 590 HE1 PHE 74 HE1 PHE 74 -13.653 27.376 -7.460 591 HE2 PHE 74 HE2 PHE 74 -10.695 29.463 -9.711 592 HZ PHE 74 HZ PHE 74 -11.964 29.161 -7.623 593 H GLY 75 H GLY 75 -15.467 24.368 -13.920 594 HA2 GLY 75 2HA GLY 75 -16.259 25.329 -16.107 595 HA3 GLY 75 3HA GLY 75 -14.637 25.995 -16.242 596 H SER 76 H SER 76 -14.405 24.879 -18.243 597 HA SER 76 HA SER 76 -13.952 21.984 -17.922 598 HB2 SER 76 2HB SER 76 -15.095 23.563 -20.202 599 HB3 SER 76 3HB SER 76 -14.267 22.040 -20.522 600 HG SER 76 HG SER 76 -16.330 22.261 -18.600 601 H SER 77 H SER 77 -12.138 21.072 -18.935 602 HA SER 77 HA SER 77 -10.261 22.695 -20.377 603 HB2 SER 77 2HB SER 77 -8.593 22.984 -18.809 604 HB3 SER 77 3HB SER 77 -10.013 23.123 -17.773 605 HG SER 77 HG SER 77 -8.416 21.682 -16.938 606 H LYS 78 H LYS 78 -9.157 21.437 -21.735 607 HA LYS 78 HA LYS 78 -9.586 18.646 -21.827 608 HB2 LYS 78 2HB LYS 78 -9.073 20.165 -23.782 609 HB3 LYS 78 3HB LYS 78 -7.398 20.165 -23.248 610 HG2 LYS 78 2HG LYS 78 -7.089 17.933 -23.789 611 HG3 LYS 78 3HG LYS 78 -8.821 17.589 -23.774 612 HD2 LYS 78 2HD LYS 78 -8.191 19.615 -25.727 613 HD3 LYS 78 3HD LYS 78 -7.226 18.162 -25.996 614 HE2 LYS 78 2HE LYS 78 -9.439 16.889 -25.736 615 HE3 LYS 78 3HE LYS 78 -10.214 18.457 -25.950 616 HZ1 LYS 78 1HZ LYS 78 -8.644 18.538 -28.024 617 HZ2 LYS 78 2HZ LYS 78 -10.130 17.736 -28.094 618 HZ3 LYS 78 3HZ LYS 78 -8.702 16.854 -27.880 619 H GLU 79 H GLU 79 -7.280 20.583 -20.186 620 HA GLU 79 HA GLU 79 -5.173 18.693 -19.990 621 HB2 GLU 79 2HB GLU 79 -5.922 21.171 -18.476 622 HB3 GLU 79 3HB GLU 79 -4.627 20.137 -17.888 623 HG2 GLU 79 2HG GLU 79 -4.672 21.220 -20.685 624 HG3 GLU 79 3HG GLU 79 -3.962 22.104 -19.335 625 H ILE 80 H ILE 80 -7.479 19.757 -17.481 626 HA ILE 80 HA ILE 80 -6.896 17.721 -15.659 627 HB ILE 80 HB ILE 80 -9.437 19.310 -16.020 628 HG12 ILE 80 2HG1 ILE 80 -7.143 20.384 -15.384 629 HG13 ILE 80 3HG1 ILE 80 -8.583 20.819 -14.470 630 HG21 ILE 80 1HG2 ILE 80 -8.682 17.216 -14.048 631 HG22 ILE 80 2HG2 ILE 80 -9.615 18.602 -13.487 632 HG23 ILE 80 3HG2 ILE 80 -10.249 17.574 -14.773 633 HD11 ILE 80 1HD1 ILE 80 -6.811 18.600 -13.544 634 HD12 ILE 80 2HD1 ILE 80 -6.410 20.285 -13.206 635 HD13 ILE 80 3HD1 ILE 80 -7.926 19.604 -12.617 636 H ASP 81 H ASP 81 -9.257 17.869 -18.277 637 HA ASP 81 HA ASP 81 -10.716 15.567 -17.706 638 HB2 ASP 81 2HB ASP 81 -10.703 17.440 -19.729 639 HB3 ASP 81 3HB ASP 81 -10.217 15.967 -20.565 640 H MET 82 H MET 82 -7.787 15.930 -19.690 641 HA MET 82 HA MET 82 -7.535 13.256 -20.462 642 HB2 MET 82 2HB MET 82 -5.935 15.650 -20.571 643 HB3 MET 82 3HB MET 82 -4.927 14.272 -20.151 644 HG2 MET 82 2HG MET 82 -5.676 13.085 -22.124 645 HG3 MET 82 3HG MET 82 -6.762 14.410 -22.531 646 HE1 MET 82 1HE MET 82 -5.331 13.330 -24.516 647 HE2 MET 82 2HE MET 82 -5.114 14.899 -25.290 648 HE3 MET 82 3HE MET 82 -3.715 13.875 -24.966 649 H ALA 83 H ALA 83 -6.040 14.965 -17.719 650 HA ALA 83 HA ALA 83 -4.580 12.888 -16.635 651 HB1 ALA 83 1HB ALA 83 -5.978 14.641 -14.707 652 HB2 ALA 83 2HB ALA 83 -4.267 14.234 -14.841 653 HB3 ALA 83 3HB ALA 83 -4.975 15.434 -15.922 654 H ILE 84 H ILE 84 -8.020 13.568 -16.337 655 HA ILE 84 HA ILE 84 -8.587 11.705 -14.294 656 HB ILE 84 HB ILE 84 -10.394 12.762 -16.469 657 HG12 ILE 84 2HG1 ILE 84 -10.522 13.641 -13.621 658 HG13 ILE 84 3HG1 ILE 84 -9.219 14.271 -14.623 659 HG21 ILE 84 1HG2 ILE 84 -11.926 11.328 -15.749 660 HG22 ILE 84 2HG2 ILE 84 -10.813 10.704 -14.534 661 HG23 ILE 84 3HG2 ILE 84 -11.849 12.080 -14.156 662 HD11 ILE 84 1HD1 ILE 84 -10.587 15.752 -15.521 663 HD12 ILE 84 2HD1 ILE 84 -11.688 14.475 -16.040 664 HD13 ILE 84 3HD1 ILE 84 -11.860 15.189 -14.437 665 H VAL 85 H VAL 85 -9.088 11.464 -17.819 666 HA VAL 85 HA VAL 85 -9.973 8.856 -17.953 667 HB VAL 85 HB VAL 85 -8.173 10.258 -19.934 668 HG11 VAL 85 1HG1 VAL 85 -9.832 7.759 -20.124 669 HG12 VAL 85 2HG1 VAL 85 -9.344 8.678 -21.550 670 HG13 VAL 85 3HG1 VAL 85 -8.120 7.973 -20.493 671 HG21 VAL 85 1HG2 VAL 85 -11.155 9.987 -20.114 672 HG22 VAL 85 2HG2 VAL 85 -10.405 11.332 -19.253 673 HG23 VAL 85 3HG2 VAL 85 -10.090 11.099 -20.973 674 H THR 86 H THR 86 -6.719 10.051 -17.504 675 HA THR 86 HA THR 86 -5.390 7.587 -18.030 676 HB THR 86 HB THR 86 -4.481 10.025 -16.493 677 HG1 THR 86 HG1 THR 86 -3.481 9.217 -18.995 678 HG21 THR 86 1HG2 THR 86 -3.194 7.408 -16.985 679 HG22 THR 86 2HG2 THR 86 -2.943 8.567 -15.680 680 HG23 THR 86 3HG2 THR 86 -2.194 8.835 -17.253 681 H LEU 87 H LEU 87 -6.096 9.305 -14.982 682 HA LEU 87 HA LEU 87 -5.156 7.430 -13.199 683 HB2 LEU 87 2HB LEU 87 -7.489 9.315 -13.017 684 HB3 LEU 87 3HB LEU 87 -6.977 8.315 -11.660 685 HG LEU 87 HG LEU 87 -5.205 10.337 -13.025 686 HD11 LEU 87 1HD1 LEU 87 -6.283 11.934 -11.933 687 HD12 LEU 87 2HD1 LEU 87 -5.873 11.144 -10.411 688 HD13 LEU 87 3HD1 LEU 87 -7.385 10.752 -11.227 689 HD21 LEU 87 1HD2 LEU 87 -4.746 9.441 -10.253 690 HD22 LEU 87 2HD2 LEU 87 -3.594 9.787 -11.544 691 HD23 LEU 87 3HD2 LEU 87 -4.450 8.244 -11.514 692 H LYS 88 H LYS 88 -8.105 7.391 -15.065 693 HA LYS 88 HA LYS 88 -9.353 5.270 -13.613 694 HB2 LYS 88 2HB LYS 88 -9.863 6.628 -16.236 695 HB3 LYS 88 3HB LYS 88 -10.714 5.140 -15.841 696 HG2 LYS 88 2HG LYS 88 -11.184 6.492 -13.592 697 HG3 LYS 88 3HG LYS 88 -10.996 7.852 -14.701 698 HD2 LYS 88 2HD LYS 88 -12.635 6.595 -16.219 699 HD3 LYS 88 3HD LYS 88 -12.996 5.613 -14.796 700 HE2 LYS 88 2HE LYS 88 -13.611 7.633 -13.562 701 HE3 LYS 88 3HE LYS 88 -13.238 8.616 -14.977 702 HZ1 LYS 88 1HZ LYS 88 -15.154 8.059 -15.973 703 HZ2 LYS 88 2HZ LYS 88 -15.673 7.687 -14.407 704 HZ3 LYS 88 3HZ LYS 88 -15.117 6.458 -15.428 705 H VAL 89 H VAL 89 -8.053 5.342 -16.938 706 HA VAL 89 HA VAL 89 -8.065 2.605 -17.382 707 HB VAL 89 HB VAL 89 -7.678 4.245 -19.164 708 HG11 VAL 89 1HG1 VAL 89 -5.481 5.271 -19.460 709 HG12 VAL 89 2HG1 VAL 89 -6.217 5.772 -17.936 710 HG13 VAL 89 3HG1 VAL 89 -4.937 4.558 -17.942 711 HG21 VAL 89 1HG2 VAL 89 -5.211 2.788 -19.531 712 HG22 VAL 89 2HG2 VAL 89 -6.476 1.747 -18.878 713 HG23 VAL 89 3HG2 VAL 89 -6.749 2.628 -20.382 714 H PHE 90 H PHE 90 -5.815 4.564 -15.587 715 HA PHE 90 HA PHE 90 -3.692 2.670 -15.503 716 HB2 PHE 90 2HB PHE 90 -3.711 5.241 -14.966 717 HB3 PHE 90 3HB PHE 90 -4.111 4.698 -13.340 718 HD1 PHE 90 HD1 PHE 90 -2.538 2.495 -12.722 719 HD2 PHE 90 HD2 PHE 90 -1.509 5.790 -15.210 720 HE1 PHE 90 HE1 PHE 90 -0.154 2.086 -12.271 721 HE2 PHE 90 HE2 PHE 90 0.876 5.386 -14.765 722 HZ PHE 90 HZ PHE 90 1.557 3.532 -13.294 723 H ALA 91 H ALA 91 -6.082 3.655 -13.045 724 HA ALA 91 HA ALA 91 -5.442 1.842 -11.070 725 HB1 ALA 91 1HB ALA 91 -7.136 2.855 -10.061 726 HB2 ALA 91 2HB ALA 91 -7.546 3.644 -11.584 727 HB3 ALA 91 3HB ALA 91 -8.284 2.098 -11.166 728 H VAL 92 H VAL 92 -7.366 1.351 -13.973 729 HA VAL 92 HA VAL 92 -8.173 -1.314 -13.212 730 HB VAL 92 HB VAL 92 -8.393 0.038 -15.905 731 HG11 VAL 92 1HG1 VAL 92 -8.554 -2.444 -15.904 732 HG12 VAL 92 2HG1 VAL 92 -9.930 -2.312 -14.806 733 HG13 VAL 92 3HG1 VAL 92 -10.029 -1.635 -16.432 734 HG21 VAL 92 1HG2 VAL 92 -9.744 1.405 -14.692 735 HG22 VAL 92 2HG2 VAL 92 -10.890 0.095 -14.974 736 HG23 VAL 92 3HG2 VAL 92 -10.029 0.197 -13.439 737 H ALA 93 H ALA 93 -5.829 0.153 -15.415 738 HA ALA 93 HA ALA 93 -4.955 -2.183 -16.688 739 HB1 ALA 93 1HB ALA 93 -4.279 -0.205 -17.700 740 HB2 ALA 93 2HB ALA 93 -3.684 0.483 -16.189 741 HB3 ALA 93 3HB ALA 93 -2.789 -0.816 -16.979 742 H GLY 94 H GLY 94 -4.454 -1.054 -13.485 743 HA2 GLY 94 2HA GLY 94 -2.170 -2.868 -13.107 744 HA3 GLY 94 3HA GLY 94 -2.649 -1.586 -12.005 745 H LEU 95 H LEU 95 -4.982 -1.915 -11.133 746 HA LEU 95 HA LEU 95 -4.978 -4.247 -9.574 747 HB2 LEU 95 2HB LEU 95 -7.055 -2.166 -10.159 748 HB3 LEU 95 3HB LEU 95 -7.418 -3.556 -9.140 749 HG LEU 95 HG LEU 95 -6.904 -1.671 -7.747 750 HD11 LEU 95 1HD1 LEU 95 -5.334 -2.654 -6.333 751 HD12 LEU 95 2HD1 LEU 95 -4.425 -3.356 -7.671 752 HD13 LEU 95 3HD1 LEU 95 -6.001 -4.016 -7.233 753 HD21 LEU 95 1HD2 LEU 95 -5.582 -0.435 -9.449 754 HD22 LEU 95 2HD2 LEU 95 -4.229 -1.522 -9.133 755 HD23 LEU 95 3HD2 LEU 95 -4.830 -0.465 -7.855 756 H LEU 96 H LEU 96 -6.903 -3.369 -12.427 757 HA LEU 96 HA LEU 96 -8.153 -5.979 -12.502 758 HB2 LEU 96 2HB LEU 96 -8.617 -3.387 -13.665 759 HB3 LEU 96 3HB LEU 96 -8.656 -4.637 -14.907 760 HG LEU 96 HG LEU 96 -10.270 -5.801 -13.145 761 HD11 LEU 96 1HD1 LEU 96 -10.474 -4.385 -11.384 762 HD12 LEU 96 2HD1 LEU 96 -11.745 -3.718 -12.407 763 HD13 LEU 96 3HD1 LEU 96 -10.160 -2.947 -12.355 764 HD21 LEU 96 1HD2 LEU 96 -11.983 -3.997 -14.398 765 HD22 LEU 96 2HD2 LEU 96 -11.484 -5.581 -14.993 766 HD23 LEU 96 3HD2 LEU 96 -10.596 -4.136 -15.478 767 H ASN 97 H ASN 97 -5.165 -5.018 -13.229 768 HA ASN 97 HA ASN 97 -3.502 -5.715 -14.622 769 HB2 ASN 97 2HB ASN 97 -4.690 -7.922 -13.605 770 HB3 ASN 97 3HB ASN 97 -4.905 -8.225 -15.326 771 HD21 ASN 97 1HD2 ASN 97 -3.357 -9.374 -16.200 772 HD22 ASN 97 2HD2 ASN 97 -1.701 -9.403 -15.709 773 H MET 98 H MET 98 -5.422 -4.084 -15.856 774 HA MET 98 HA MET 98 -6.007 -3.331 -17.922 775 HB2 MET 98 2HB MET 98 -3.593 -4.671 -18.287 776 HB3 MET 98 3HB MET 98 -4.639 -5.316 -19.544 777 HG2 MET 98 2HG MET 98 -4.790 -2.419 -19.294 778 HG3 MET 98 3HG MET 98 -3.179 -3.009 -19.694 779 HE1 MET 98 1HE MET 98 -3.721 -4.920 -23.011 780 HE2 MET 98 2HE MET 98 -2.653 -4.579 -21.650 781 HE3 MET 98 3HE MET 98 -3.990 -5.713 -21.459 782 H THR 99 H THR 99 -8.100 -3.702 -18.285 783 HA THR 99 HA THR 99 -8.862 -6.327 -19.381 784 HB THR 99 HB THR 99 -10.762 -4.711 -17.702 785 HG1 THR 99 HG1 THR 99 -10.041 -6.487 -16.098 786 HG21 THR 99 1HG2 THR 99 -11.531 -7.185 -17.304 787 HG22 THR 99 2HG2 THR 99 -10.625 -7.493 -18.785 788 HG23 THR 99 3HG2 THR 99 -11.967 -6.349 -18.793 789 H VAL 100 H VAL 100 -8.217 -3.598 -20.533 790 HA VAL 100 HA VAL 100 -10.590 -3.440 -22.245 791 HB VAL 100 HB VAL 100 -10.528 -0.991 -22.250 792 HG11 VAL 100 1HG1 VAL 100 -11.649 -2.597 -20.362 793 HG12 VAL 100 2HG1 VAL 100 -10.746 -1.456 -19.363 794 HG13 VAL 100 3HG1 VAL 100 -11.946 -0.866 -20.514 795 HG21 VAL 100 1HG2 VAL 100 -8.969 -0.664 -19.824 796 HG22 VAL 100 2HG2 VAL 100 -8.005 -1.300 -21.157 797 HG23 VAL 100 3HG2 VAL 100 -8.883 0.218 -21.350 798 H SER 101 H SER 101 -9.947 -1.580 -24.007 799 HA SER 101 HA SER 101 -7.331 -2.431 -25.064 800 HB2 SER 101 2HB SER 101 -9.598 -1.445 -26.784 801 HB3 SER 101 3HB SER 101 -8.198 -2.410 -27.253 802 HG SER 101 HG SER 101 -10.598 -3.193 -26.114 803 H THR 102 H THR 102 -9.528 0.243 -24.537 804 HA THR 102 HA THR 102 -7.319 2.097 -25.125 805 HB THR 102 HB THR 102 -8.749 3.660 -26.193 806 HG1 THR 102 HG1 THR 102 -10.889 1.944 -25.413 807 HG21 THR 102 1HG2 THR 102 -8.202 1.254 -27.313 808 HG22 THR 102 2HG2 THR 102 -8.985 2.585 -28.167 809 HG23 THR 102 3HG2 THR 102 -9.958 1.293 -27.465 810 H ALA 103 H ALA 103 -7.471 4.162 -24.014 811 HA ALA 103 HA ALA 103 -7.972 3.922 -21.287 812 HB1 ALA 103 1HB ALA 103 -7.291 6.113 -21.087 813 HB2 ALA 103 2HB ALA 103 -6.572 5.662 -22.634 814 HB3 ALA 103 3HB ALA 103 -8.063 6.603 -22.596 815 H ALA 104 H ALA 104 -10.010 5.186 -23.874 816 HA ALA 104 HA ALA 104 -12.038 6.280 -22.255 817 HB1 ALA 104 1HB ALA 104 -11.624 6.587 -24.771 818 HB2 ALA 104 2HB ALA 104 -12.560 5.104 -24.963 819 HB3 ALA 104 3HB ALA 104 -13.294 6.517 -24.205 820 H ALA 105 H ALA 105 -11.760 3.096 -23.817 821 HA ALA 105 HA ALA 105 -14.196 2.023 -23.032 822 HB1 ALA 105 1HB ALA 105 -13.112 -0.185 -23.286 823 HB2 ALA 105 2HB ALA 105 -12.785 0.904 -24.635 824 HB3 ALA 105 3HB ALA 105 -11.550 0.626 -23.408 825 H ALA 106 H ALA 106 -11.102 2.056 -21.298 826 HA ALA 106 HA ALA 106 -11.995 0.530 -19.084 827 HB1 ALA 106 1HB ALA 106 -9.570 1.591 -19.947 828 HB2 ALA 106 2HB ALA 106 -9.884 2.374 -18.398 829 HB3 ALA 106 3HB ALA 106 -9.850 0.614 -18.506 830 H GLU 107 H GLU 107 -12.120 3.932 -19.878 831 HA GLU 107 HA GLU 107 -12.692 4.901 -17.279 832 HB2 GLU 107 2HB GLU 107 -11.925 6.454 -18.921 833 HB3 GLU 107 3HB GLU 107 -13.221 6.023 -20.028 834 HG2 GLU 107 2HG GLU 107 -14.620 7.488 -19.120 835 HG3 GLU 107 3HG GLU 107 -14.229 6.968 -17.481 836 H ASN 108 H ASN 108 -14.800 4.129 -20.040 837 HA ASN 108 HA ASN 108 -17.232 4.727 -18.780 838 HB2 ASN 108 2HB ASN 108 -16.816 4.316 -21.260 839 HB3 ASN 108 3HB ASN 108 -16.871 2.596 -20.887 840 HD21 ASN 108 1HD2 ASN 108 -18.675 2.416 -22.271 841 HD22 ASN 108 2HD2 ASN 108 -20.248 2.907 -21.750 842 H MET 109 H MET 109 -15.371 1.725 -18.957 843 HA MET 109 HA MET 109 -17.305 0.131 -17.611 844 HB2 MET 109 2HB MET 109 -15.347 -0.629 -19.107 845 HB3 MET 109 3HB MET 109 -14.356 -0.456 -17.664 846 HG2 MET 109 2HG MET 109 -16.358 -1.948 -16.675 847 HG3 MET 109 3HG MET 109 -16.368 -2.487 -18.352 848 HE1 MET 109 1HE MET 109 -12.622 -2.536 -15.713 849 HE2 MET 109 2HE MET 109 -13.826 -1.254 -15.843 850 HE3 MET 109 3HE MET 109 -14.179 -2.703 -14.900 851 H TYR 110 H TYR 110 -14.374 1.827 -16.566 852 HA TYR 110 HA TYR 110 -14.237 0.953 -13.945 853 HB2 TYR 110 2HB TYR 110 -12.510 2.342 -15.007 854 HB3 TYR 110 3HB TYR 110 -13.604 3.720 -14.994 855 HD1 TYR 110 HD1 TYR 110 -11.664 1.423 -12.842 856 HD2 TYR 110 HD2 TYR 110 -13.874 5.052 -13.048 857 HE1 TYR 110 HE1 TYR 110 -10.851 2.038 -10.604 858 HE2 TYR 110 HE2 TYR 110 -13.066 5.679 -10.811 859 HH TYR 110 HH TYR 110 -10.498 4.310 -9.334 860 H SER 111 H SER 111 -16.171 3.576 -15.318 861 HA SER 111 HA SER 111 -17.311 4.246 -12.742 862 HB2 SER 111 2HB SER 111 -16.886 6.027 -14.376 863 HB3 SER 111 3HB SER 111 -17.986 5.254 -15.518 864 HG SER 111 HG SER 111 -19.112 6.850 -14.447 865 H GLN 112 H GLN 112 -18.185 2.432 -15.600 866 HA GLN 112 HA GLN 112 -20.940 2.195 -15.179 867 HB2 GLN 112 2HB GLN 112 -20.006 1.515 -17.276 868 HB3 GLN 112 3HB GLN 112 -18.964 0.332 -16.496 869 HG2 GLN 112 2HG GLN 112 -20.877 -0.691 -17.640 870 HG3 GLN 112 3HG GLN 112 -20.862 -1.024 -15.908 871 HE21 GLN 112 1HE2 GLN 112 -22.057 1.566 -18.027 872 HE22 GLN 112 2HE2 GLN 112 -23.637 1.637 -17.329 873 H MET 113 H MET 113 -18.248 0.646 -13.630 874 HA MET 113 HA MET 113 -19.900 -1.394 -12.395 875 HB2 MET 113 2HB MET 113 -17.011 -0.827 -12.613 876 HB3 MET 113 3HB MET 113 -17.520 -1.569 -11.102 877 HG2 MET 113 2HG MET 113 -18.488 -2.752 -13.648 878 HG3 MET 113 3HG MET 113 -16.807 -3.008 -13.184 879 HE1 MET 113 1HE MET 113 -16.926 -5.899 -10.963 880 HE2 MET 113 2HE MET 113 -16.859 -5.701 -12.714 881 HE3 MET 113 3HE MET 113 -15.978 -4.589 -11.666 882 H GLY 114 H GLY 114 -18.721 1.771 -11.694 883 HA2 GLY 114 2HA GLY 114 -19.838 3.036 -9.959 884 HA3 GLY 114 3HA GLY 114 -19.907 1.563 -9.002 885 H LEU 115 H LEU 115 -17.012 2.390 -10.735 886 HA LEU 115 HA LEU 115 -15.615 2.680 -8.190 887 HB2 LEU 115 2HB LEU 115 -14.341 2.631 -10.906 888 HB3 LEU 115 3HB LEU 115 -13.627 2.214 -9.350 889 HG LEU 115 HG LEU 115 -15.647 0.599 -10.903 890 HD11 LEU 115 1HD1 LEU 115 -13.622 -1.050 -10.627 891 HD12 LEU 115 2HD1 LEU 115 -12.704 0.448 -10.484 892 HD13 LEU 115 3HD1 LEU 115 -13.657 0.133 -11.933 893 HD21 LEU 115 1HD2 LEU 115 -14.878 0.567 -8.084 894 HD22 LEU 115 2HD2 LEU 115 -14.713 -0.994 -8.887 895 HD23 LEU 115 3HD2 LEU 115 -16.267 -0.161 -8.891 896 H ASP 116 H ASP 116 -16.582 4.532 -10.956 897 HA ASP 116 HA ASP 116 -14.783 6.694 -10.672 898 HB2 ASP 116 2HB ASP 116 -15.876 6.588 -12.744 899 HB3 ASP 116 3HB ASP 116 -17.458 6.370 -12.003 900 H THR 117 H THR 117 -18.271 6.672 -9.923 901 HA THR 117 HA THR 117 -17.725 8.139 -7.454 902 HB THR 117 HB THR 117 -19.775 9.622 -8.101 903 HG1 THR 117 HG1 THR 117 -19.924 8.331 -10.172 904 HG21 THR 117 1HG2 THR 117 -16.997 9.989 -9.217 905 HG22 THR 117 2HG2 THR 117 -17.633 10.598 -7.689 906 HG23 THR 117 3HG2 THR 117 -18.223 11.256 -9.215 907 H ARG 118 H ARG 118 -19.692 8.324 -6.077 908 HA ARG 118 HA ARG 118 -21.819 6.428 -6.648 909 HB2 ARG 118 2HB ARG 118 -19.746 6.036 -4.529 910 HB3 ARG 118 3HB ARG 118 -21.399 5.529 -4.206 911 HG2 ARG 118 2HG ARG 118 -21.350 4.083 -6.168 912 HG3 ARG 118 3HG ARG 118 -19.700 4.604 -6.512 913 HD2 ARG 118 2HD ARG 118 -19.141 2.770 -5.334 914 HD3 ARG 118 3HD ARG 118 -19.443 3.811 -3.943 915 HE ARG 118 HE ARG 118 -21.873 2.740 -4.448 916 HH11 ARG 118 1HH1 ARG 118 -18.706 1.371 -3.993 917 HH12 ARG 118 2HH1 ARG 118 -19.300 -0.108 -3.314 918 HH21 ARG 118 1HH2 ARG 118 -22.668 0.798 -3.555 919 HH22 ARG 118 2HH2 ARG 118 -21.553 -0.433 -3.066 920 HA PRO 119 HA PRO 119 -23.098 10.279 -4.374 921 HB2 PRO 119 2HB PRO 119 -25.133 10.888 -6.064 922 HB3 PRO 119 3HB PRO 119 -23.468 11.418 -6.334 923 HG2 PRO 119 2HG PRO 119 -24.943 9.114 -7.547 924 HG3 PRO 119 3HG PRO 119 -23.861 10.282 -8.325 925 HD2 PRO 119 2HD PRO 119 -23.058 7.792 -7.631 926 HD3 PRO 119 3HD PRO 119 -21.961 9.188 -7.612 Start of MODEL 8 1 H1 GLY 2 H GLY 2 5.157 6.809 -3.097 2 HA2 GLY 2 2HA GLY 2 5.059 7.000 -0.523 3 HA3 GLY 2 3HA GLY 2 3.456 6.315 -0.747 4 H ASN 3 H ASN 3 6.796 5.660 -1.818 5 HA ASN 3 HA ASN 3 8.009 3.739 -1.900 6 HB2 ASN 3 2HB ASN 3 7.024 3.726 0.562 7 HB3 ASN 3 3HB ASN 3 6.136 2.333 -0.048 8 HD21 ASN 3 1HD2 ASN 3 8.944 3.350 1.387 9 HD22 ASN 3 2HD2 ASN 3 9.923 1.958 1.091 10 H LEU 4 H LEU 4 6.279 4.048 -3.956 11 HA LEU 4 HA LEU 4 4.387 2.106 -4.465 12 HB2 LEU 4 2HB LEU 4 5.003 2.415 -6.878 13 HB3 LEU 4 3HB LEU 4 4.620 3.890 -5.992 14 HG LEU 4 HG LEU 4 7.479 3.205 -6.091 15 HD11 LEU 4 1HD1 LEU 4 5.892 3.204 -8.508 16 HD12 LEU 4 2HD1 LEU 4 7.596 2.815 -8.275 17 HD13 LEU 4 3HD1 LEU 4 7.099 4.489 -8.519 18 HD21 LEU 4 1HD2 LEU 4 7.684 5.404 -5.765 19 HD22 LEU 4 2HD2 LEU 4 5.944 5.401 -5.472 20 HD23 LEU 4 3HD2 LEU 4 6.569 5.792 -7.076 21 H LYS 5 H LYS 5 4.581 -0.017 -4.241 22 HA LYS 5 HA LYS 5 6.918 -1.487 -4.104 23 HB2 LYS 5 2HB LYS 5 4.102 -2.033 -4.189 24 HB3 LYS 5 3HB LYS 5 4.947 -3.195 -5.202 25 HG2 LYS 5 2HG LYS 5 6.376 -3.813 -3.340 26 HG3 LYS 5 3HG LYS 5 5.587 -2.610 -2.317 27 HD2 LYS 5 2HD LYS 5 4.434 -4.496 -1.704 28 HD3 LYS 5 3HD LYS 5 3.415 -3.916 -3.023 29 HE2 LYS 5 2HE LYS 5 4.994 -5.421 -4.482 30 HE3 LYS 5 3HE LYS 5 5.296 -6.231 -2.945 31 HZ1 LYS 5 1HZ LYS 5 3.483 -7.257 -4.195 32 HZ2 LYS 5 2HZ LYS 5 2.614 -5.806 -4.149 33 HZ3 LYS 5 3HZ LYS 5 2.943 -6.640 -2.715 34 H SER 6 H SER 6 8.312 -2.321 -5.535 35 HA SER 6 HA SER 6 8.438 -1.458 -8.168 36 HB2 SER 6 2HB SER 6 10.135 -2.798 -6.525 37 HB3 SER 6 3HB SER 6 9.675 -4.090 -7.634 38 HG SER 6 HG SER 6 10.618 -3.060 -9.260 39 H ARG 7 H ARG 7 6.707 -4.120 -6.784 40 HA ARG 7 HA ARG 7 6.283 -5.502 -9.271 41 HB2 ARG 7 2HB ARG 7 5.616 -5.906 -6.450 42 HB3 ARG 7 3HB ARG 7 4.332 -6.402 -7.544 43 HG2 ARG 7 2HG ARG 7 6.965 -7.314 -8.387 44 HG3 ARG 7 3HG ARG 7 6.487 -7.918 -6.799 45 HD2 ARG 7 2HD ARG 7 4.568 -8.027 -9.089 46 HD3 ARG 7 3HD ARG 7 5.835 -9.245 -8.941 47 HE ARG 7 HE ARG 7 4.383 -8.921 -6.511 48 HH11 ARG 7 1HH1 ARG 7 4.271 -10.396 -9.661 49 HH12 ARG 7 2HH1 ARG 7 3.208 -11.674 -9.169 50 HH21 ARG 7 1HH2 ARG 7 2.984 -10.597 -5.851 51 HH22 ARG 7 2HH2 ARG 7 2.476 -11.786 -7.001 52 H ASP 8 H ASP 8 3.955 -4.003 -7.020 53 HA ASP 8 HA ASP 8 1.816 -3.887 -8.784 54 HB2 ASP 8 2HB ASP 8 2.367 -1.849 -6.622 55 HB3 ASP 8 3HB ASP 8 0.799 -2.335 -7.264 56 H TRP 9 H TRP 9 4.613 -1.855 -8.545 57 HA TRP 9 HA TRP 9 3.519 0.319 -10.069 58 HB2 TRP 9 2HB TRP 9 5.282 0.827 -8.521 59 HB3 TRP 9 3HB TRP 9 6.341 -0.379 -9.245 60 HD1 TRP 9 HD1 TRP 9 8.246 0.917 -10.360 61 HE1 TRP 9 HE1 TRP 9 8.421 2.933 -11.950 62 HE3 TRP 9 HE3 TRP 9 3.315 2.254 -10.518 63 HZ2 TRP 9 HZ2 TRP 9 6.696 4.840 -13.115 64 HZ3 TRP 9 HZ3 TRP 9 2.660 4.186 -11.894 65 HH2 TRP 9 HH2 TRP 9 4.317 5.450 -13.164 66 H LYS 10 H LYS 10 6.282 -1.815 -10.799 67 HA LYS 10 HA LYS 10 6.427 -1.284 -13.510 68 HB2 LYS 10 2HB LYS 10 7.981 -2.681 -11.943 69 HB3 LYS 10 3HB LYS 10 6.995 -4.041 -12.467 70 HG2 LYS 10 2HG LYS 10 7.993 -2.327 -14.633 71 HG3 LYS 10 3HG LYS 10 9.234 -3.192 -13.721 72 HD2 LYS 10 2HD LYS 10 7.797 -5.272 -14.065 73 HD3 LYS 10 3HD LYS 10 6.913 -4.324 -15.262 74 HE2 LYS 10 2HE LYS 10 9.381 -3.842 -16.124 75 HE3 LYS 10 3HE LYS 10 9.682 -5.391 -15.341 76 HZ1 LYS 10 1HZ LYS 10 9.116 -5.979 -17.488 77 HZ2 LYS 10 2HZ LYS 10 7.922 -4.791 -17.627 78 HZ3 LYS 10 3HZ LYS 10 7.644 -6.160 -16.674 79 H MET 11 H MET 11 4.327 -3.499 -11.784 80 HA MET 11 HA MET 11 3.379 -4.893 -14.073 81 HB2 MET 11 2HB MET 11 3.211 -5.798 -11.785 82 HB3 MET 11 3HB MET 11 2.069 -4.526 -11.372 83 HG2 MET 11 2HG MET 11 0.453 -5.394 -12.913 84 HG3 MET 11 3HG MET 11 1.610 -6.574 -13.526 85 HE1 MET 11 1HE MET 11 1.253 -8.760 -13.135 86 HE2 MET 11 2HE MET 11 0.435 -9.538 -11.780 87 HE3 MET 11 3HE MET 11 -0.488 -8.563 -12.925 88 H ALA 12 H ALA 12 1.991 -2.265 -12.111 89 HA ALA 12 HA ALA 12 -0.362 -1.901 -13.551 90 HB1 ALA 12 1HB ALA 12 1.224 0.271 -12.189 91 HB2 ALA 12 2HB ALA 12 -0.508 0.263 -12.525 92 HB3 ALA 12 3HB ALA 12 0.168 -0.868 -11.353 93 H ILE 13 H ILE 13 2.809 -0.361 -14.000 94 HA ILE 13 HA ILE 13 1.980 1.215 -16.227 95 HB ILE 13 HB ILE 13 4.752 0.438 -15.314 96 HG12 ILE 13 2HG1 ILE 13 3.424 1.788 -13.706 97 HG13 ILE 13 3HG1 ILE 13 4.831 2.650 -14.320 98 HG21 ILE 13 1HG2 ILE 13 3.831 2.397 -17.404 99 HG22 ILE 13 2HG2 ILE 13 5.445 2.419 -16.696 100 HG23 ILE 13 3HG2 ILE 13 4.903 1.014 -17.614 101 HD11 ILE 13 1HD1 ILE 13 2.455 3.124 -15.914 102 HD12 ILE 13 2HD1 ILE 13 2.256 3.597 -14.226 103 HD13 ILE 13 3HD1 ILE 13 3.579 4.268 -15.180 104 H LYS 14 H LYS 14 3.108 -2.031 -15.834 105 HA LYS 14 HA LYS 14 4.034 -2.456 -18.486 106 HB2 LYS 14 2HB LYS 14 4.767 -3.963 -16.787 107 HB3 LYS 14 3HB LYS 14 3.115 -4.339 -16.317 108 HG2 LYS 14 2HG LYS 14 2.812 -5.806 -18.019 109 HG3 LYS 14 3HG LYS 14 3.892 -4.934 -19.110 110 HD2 LYS 14 2HD LYS 14 5.779 -5.951 -18.271 111 HD3 LYS 14 3HD LYS 14 5.037 -6.273 -16.703 112 HE2 LYS 14 2HE LYS 14 4.897 -8.380 -17.489 113 HE3 LYS 14 3HE LYS 14 3.461 -7.768 -18.307 114 HZ1 LYS 14 1HZ LYS 14 4.988 -9.003 -19.777 115 HZ2 LYS 14 2HZ LYS 14 6.172 -7.825 -19.514 116 HZ3 LYS 14 3HZ LYS 14 4.726 -7.412 -20.289 117 H ARG 15 H ARG 15 0.910 -2.792 -16.903 118 HA ARG 15 HA ARG 15 -0.332 -3.994 -19.213 119 HB2 ARG 15 2HB ARG 15 -1.510 -2.895 -16.654 120 HB3 ARG 15 3HB ARG 15 -2.428 -3.735 -17.896 121 HG2 ARG 15 2HG ARG 15 -0.068 -5.009 -16.558 122 HG3 ARG 15 3HG ARG 15 -1.686 -5.069 -15.856 123 HD2 ARG 15 2HD ARG 15 -2.128 -5.796 -18.466 124 HD3 ARG 15 3HD ARG 15 -0.563 -6.531 -18.119 125 HE ARG 15 HE ARG 15 -2.133 -7.186 -15.977 126 HH11 ARG 15 1HH1 ARG 15 -2.337 -7.617 -19.426 127 HH12 ARG 15 2HH1 ARG 15 -3.238 -9.093 -19.320 128 HH21 ARG 15 1HH2 ARG 15 -3.318 -9.130 -15.824 129 HH22 ARG 15 2HH2 ARG 15 -3.796 -9.953 -17.271 130 H CYS 16 H CYS 16 -0.214 -0.810 -17.697 131 HA CYS 16 HA CYS 16 -2.169 0.445 -19.272 132 HB2 CYS 16 2HB CYS 16 -1.373 1.504 -17.258 133 HB3 CYS 16 3HB CYS 16 0.269 1.568 -17.884 134 HG CYS 16 HG CYS 16 -2.318 3.274 -19.326 135 H SER 17 H SER 17 1.270 -0.098 -19.793 136 HA SER 17 HA SER 17 1.705 1.579 -21.963 137 HB2 SER 17 2HB SER 17 3.702 0.677 -21.365 138 HB3 SER 17 3HB SER 17 2.979 -0.858 -20.881 139 HG SER 17 HG SER 17 4.377 -0.839 -22.826 140 H ASN 18 H ASN 18 -0.032 -1.413 -21.773 141 HA ASN 18 HA ASN 18 -0.169 -1.642 -24.686 142 HB2 ASN 18 2HB ASN 18 0.264 -3.656 -23.216 143 HB3 ASN 18 3HB ASN 18 -1.391 -3.494 -22.636 144 HD21 ASN 18 1HD2 ASN 18 -2.629 -4.958 -23.540 145 HD22 ASN 18 2HD2 ASN 18 -2.592 -5.445 -25.198 146 H VAL 19 H VAL 19 -1.484 0.525 -23.179 147 HA VAL 19 HA VAL 19 -4.287 -0.063 -23.885 148 HB VAL 19 HB VAL 19 -3.311 1.952 -21.857 149 HG11 VAL 19 1HG1 VAL 19 -5.975 1.422 -21.388 150 HG12 VAL 19 2HG1 VAL 19 -5.328 2.851 -22.194 151 HG13 VAL 19 3HG1 VAL 19 -5.873 1.472 -23.148 152 HG21 VAL 19 1HG2 VAL 19 -4.179 0.443 -20.163 153 HG22 VAL 19 2HG2 VAL 19 -4.646 -0.717 -21.407 154 HG23 VAL 19 3HG2 VAL 19 -2.940 -0.366 -21.123 155 H ALA 20 H ALA 20 -5.442 1.454 -25.054 156 HA ALA 20 HA ALA 20 -3.827 3.281 -26.627 157 HB1 ALA 20 1HB ALA 20 -5.735 1.689 -27.442 158 HB2 ALA 20 2HB ALA 20 -6.778 3.030 -26.966 159 HB3 ALA 20 3HB ALA 20 -5.521 3.277 -28.178 160 H VAL 21 H VAL 21 -4.145 5.501 -26.781 161 HA VAL 21 HA VAL 21 -4.911 6.813 -24.381 162 HB VAL 21 HB VAL 21 -4.487 8.905 -25.599 163 HG11 VAL 21 1HG1 VAL 21 -2.369 8.522 -25.064 164 HG12 VAL 21 2HG1 VAL 21 -2.637 6.780 -25.162 165 HG13 VAL 21 3HG1 VAL 21 -2.145 7.679 -26.598 166 HG21 VAL 21 1HG2 VAL 21 -3.475 8.427 -27.997 167 HG22 VAL 21 2HG2 VAL 21 -4.604 7.075 -27.938 168 HG23 VAL 21 3HG2 VAL 21 -5.198 8.726 -27.763 169 H GLY 22 H GLY 22 -6.547 6.092 -27.370 170 HA2 GLY 22 2HA GLY 22 -9.108 6.285 -26.540 171 HA3 GLY 22 3HA GLY 22 -8.703 7.959 -26.890 172 H VAL 23 H VAL 23 -10.613 7.438 -28.387 173 HA VAL 23 HA VAL 23 -10.184 5.849 -30.692 174 HB VAL 23 HB VAL 23 -12.074 8.186 -30.385 175 HG11 VAL 23 1HG1 VAL 23 -13.193 6.257 -32.042 176 HG12 VAL 23 2HG1 VAL 23 -12.508 7.805 -32.536 177 HG13 VAL 23 3HG1 VAL 23 -11.508 6.352 -32.550 178 HG21 VAL 23 1HG2 VAL 23 -12.200 5.361 -29.461 179 HG22 VAL 23 2HG2 VAL 23 -12.801 6.829 -28.690 180 HG23 VAL 23 3HG2 VAL 23 -13.681 6.120 -30.044 181 H GLY 24 H GLY 24 -9.338 9.116 -29.851 182 HA2 GLY 24 2HA GLY 24 -8.970 10.164 -32.445 183 HA3 GLY 24 3HA GLY 24 -8.196 10.755 -30.981 184 H GLY 25 H GLY 25 -6.972 8.097 -30.462 185 HA2 GLY 25 2HA GLY 25 -4.719 8.431 -32.316 186 HA3 GLY 25 3HA GLY 25 -4.650 7.646 -30.745 187 H LYS 26 H LYS 26 -4.478 7.075 -33.949 188 HA LYS 26 HA LYS 26 -6.061 4.772 -34.316 189 HB2 LYS 26 2HB LYS 26 -5.092 6.035 -36.184 190 HB3 LYS 26 3HB LYS 26 -3.477 5.558 -35.678 191 HG2 LYS 26 2HG LYS 26 -4.255 3.159 -36.006 192 HG3 LYS 26 3HG LYS 26 -5.647 3.847 -36.845 193 HD2 LYS 26 2HD LYS 26 -4.158 4.961 -38.423 194 HD3 LYS 26 3HD LYS 26 -2.754 4.316 -37.570 195 HE2 LYS 26 2HE LYS 26 -3.021 2.857 -39.366 196 HE3 LYS 26 3HE LYS 26 -3.797 2.011 -38.029 197 HZ1 LYS 26 1HZ LYS 26 -4.914 2.594 -40.463 198 HZ2 LYS 26 2HZ LYS 26 -5.633 3.699 -39.404 199 HZ3 LYS 26 3HZ LYS 26 -5.731 2.039 -39.090 200 H SER 27 H SER 27 -2.615 5.124 -33.493 201 HA SER 27 HA SER 27 -2.735 2.545 -32.119 202 HB2 SER 27 2HB SER 27 -0.730 3.247 -34.273 203 HB3 SER 27 3HB SER 27 -0.537 1.897 -33.156 204 HG SER 27 HG SER 27 -1.757 0.806 -34.455 205 H LYS 28 H LYS 28 -2.733 5.048 -30.950 206 HA LYS 28 HA LYS 28 0.016 5.517 -30.059 207 HB2 LYS 28 2HB LYS 28 -1.881 7.304 -30.731 208 HB3 LYS 28 3HB LYS 28 -2.213 7.170 -29.010 209 HG2 LYS 28 2HG LYS 28 -0.531 8.528 -28.558 210 HG3 LYS 28 3HG LYS 28 0.596 7.435 -29.364 211 HD2 LYS 28 2HD LYS 28 -0.058 8.491 -31.535 212 HD3 LYS 28 3HD LYS 28 -0.995 9.671 -30.616 213 HE2 LYS 28 2HE LYS 28 1.208 10.093 -29.343 214 HE3 LYS 28 3HE LYS 28 1.976 9.268 -30.699 215 HZ1 LYS 28 1HZ LYS 28 1.850 11.117 -31.881 216 HZ2 LYS 28 2HZ LYS 28 1.194 11.930 -30.551 217 HZ3 LYS 28 3HZ LYS 28 0.171 11.193 -31.680 218 H LYS 29 H LYS 29 0.647 4.286 -28.415 219 HA LYS 29 HA LYS 29 -1.299 3.511 -26.365 220 HB2 LYS 29 2HB LYS 29 1.395 2.439 -27.166 221 HB3 LYS 29 3HB LYS 29 0.666 2.009 -25.625 222 HG2 LYS 29 2HG LYS 29 -1.021 0.790 -26.606 223 HG3 LYS 29 3HG LYS 29 -0.900 1.657 -28.139 224 HD2 LYS 29 2HD LYS 29 1.557 0.262 -27.459 225 HD3 LYS 29 3HD LYS 29 0.173 -0.829 -27.570 226 HE2 LYS 29 2HE LYS 29 0.274 1.140 -29.721 227 HE3 LYS 29 3HE LYS 29 1.682 0.081 -29.680 228 HZ1 LYS 29 1HZ LYS 29 -1.163 -0.746 -29.846 229 HZ2 LYS 29 2HZ LYS 29 0.124 -1.821 -29.629 230 HZ3 LYS 29 3HZ LYS 29 0.015 -0.909 -31.049 231 H PHE 30 H PHE 30 -0.750 3.677 -24.117 232 HA PHE 30 HA PHE 30 0.230 6.187 -23.366 233 HB2 PHE 30 2HB PHE 30 -0.686 3.755 -21.993 234 HB3 PHE 30 3HB PHE 30 0.470 4.710 -21.071 235 HD1 PHE 30 HD1 PHE 30 -0.048 7.309 -21.060 236 HD2 PHE 30 HD2 PHE 30 -2.913 4.242 -21.767 237 HE1 PHE 30 HE1 PHE 30 -1.850 8.843 -20.387 238 HE2 PHE 30 HE2 PHE 30 -4.720 5.772 -21.097 239 HZ PHE 30 HZ PHE 30 -4.190 8.075 -20.406 240 H GLY 31 H GLY 31 2.174 6.924 -22.646 241 HA2 GLY 31 2HA GLY 31 4.437 5.048 -22.915 242 HA3 GLY 31 3HA GLY 31 4.533 6.777 -23.212 243 H GLU 32 H GLU 32 6.432 5.895 -21.645 244 HA GLU 32 HA GLU 32 5.793 5.692 -18.889 245 HB2 GLU 32 2HB GLU 32 7.996 5.121 -20.291 246 HB3 GLU 32 3HB GLU 32 8.460 6.716 -19.715 247 HG2 GLU 32 2HG GLU 32 8.343 6.057 -17.464 248 HG3 GLU 32 3HG GLU 32 7.472 4.577 -17.861 249 H GLY 33 H GLY 33 7.380 8.345 -20.682 250 HA2 GLY 33 2HA GLY 33 7.247 10.213 -18.584 251 HA3 GLY 33 3HA GLY 33 7.447 10.605 -20.285 252 H ASN 34 H ASN 34 4.945 9.404 -21.116 253 HA ASN 34 HA ASN 34 3.256 11.627 -20.859 254 HB2 ASN 34 2HB ASN 34 2.808 8.802 -21.799 255 HB3 ASN 34 3HB ASN 34 1.485 9.962 -21.737 256 HD21 ASN 34 1HD2 ASN 34 3.303 8.570 -23.860 257 HD22 ASN 34 2HD2 ASN 34 3.617 9.854 -24.973 258 H PHE 35 H PHE 35 2.942 8.384 -19.408 259 HA PHE 35 HA PHE 35 0.704 8.985 -17.821 260 HB2 PHE 35 2HB PHE 35 1.254 6.691 -18.221 261 HB3 PHE 35 3HB PHE 35 2.860 6.892 -17.529 262 HD1 PHE 35 HD1 PHE 35 -0.747 6.841 -16.717 263 HD2 PHE 35 HD2 PHE 35 3.235 6.601 -15.231 264 HE1 PHE 35 HE1 PHE 35 -1.611 6.136 -14.523 265 HE2 PHE 35 HE2 PHE 35 2.376 5.895 -13.036 266 HZ PHE 35 HZ PHE 35 -0.049 5.661 -12.681 267 H ARG 36 H ARG 36 4.158 9.292 -17.222 268 HA ARG 36 HA ARG 36 4.136 9.755 -14.483 269 HB2 ARG 36 2HB ARG 36 5.938 10.583 -16.719 270 HB3 ARG 36 3HB ARG 36 6.176 11.299 -15.130 271 HG2 ARG 36 2HG ARG 36 5.957 8.341 -15.343 272 HG3 ARG 36 3HG ARG 36 7.454 9.127 -15.850 273 HD2 ARG 36 2HD ARG 36 7.798 10.057 -13.697 274 HD3 ARG 36 3HD ARG 36 6.167 9.635 -13.179 275 HE ARG 36 HE ARG 36 7.699 7.338 -13.907 276 HH11 ARG 36 1HH1 ARG 36 7.115 9.636 -11.357 277 HH12 ARG 36 2HH1 ARG 36 7.607 8.556 -10.094 278 HH21 ARG 36 1HH2 ARG 36 8.349 5.908 -12.253 279 HH22 ARG 36 2HH2 ARG 36 8.309 6.436 -10.605 280 H TRP 37 H TRP 37 3.755 12.066 -17.151 281 HA TRP 37 HA TRP 37 3.501 14.349 -15.483 282 HB2 TRP 37 2HB TRP 37 4.128 14.778 -17.717 283 HB3 TRP 37 3HB TRP 37 2.817 13.795 -18.363 284 HD1 TRP 37 HD1 TRP 37 3.631 17.303 -17.227 285 HE1 TRP 37 HE1 TRP 37 1.605 18.830 -17.656 286 HE3 TRP 37 HE3 TRP 37 0.167 13.737 -18.421 287 HZ2 TRP 37 HZ2 TRP 37 -1.104 18.559 -18.401 288 HZ3 TRP 37 HZ3 TRP 37 -2.119 14.455 -18.978 289 HH2 TRP 37 HH2 TRP 37 -2.740 16.817 -18.968 290 H ALA 38 H ALA 38 1.208 12.058 -16.842 291 HA ALA 38 HA ALA 38 -1.142 13.507 -16.189 292 HB1 ALA 38 1HB ALA 38 -2.252 11.251 -16.451 293 HB2 ALA 38 2HB ALA 38 -1.336 11.830 -17.844 294 HB3 ALA 38 3HB ALA 38 -0.646 10.600 -16.784 295 H ILE 39 H ILE 39 0.192 10.560 -14.673 296 HA ILE 39 HA ILE 39 -1.461 10.501 -12.455 297 HB ILE 39 HB ILE 39 0.025 8.652 -13.016 298 HG12 ILE 39 2HG1 ILE 39 1.183 9.086 -10.414 299 HG13 ILE 39 3HG1 ILE 39 -0.479 9.663 -10.433 300 HG21 ILE 39 1HG2 ILE 39 2.399 9.919 -11.801 301 HG22 ILE 39 2HG2 ILE 39 2.281 8.760 -13.124 302 HG23 ILE 39 3HG2 ILE 39 1.953 10.468 -13.416 303 HD11 ILE 39 1HD1 ILE 39 -0.954 7.537 -9.926 304 HD12 ILE 39 2HD1 ILE 39 -0.757 7.273 -11.660 305 HD13 ILE 39 3HD1 ILE 39 0.577 6.934 -10.558 306 H ARG 40 H ARG 40 1.525 12.306 -12.963 307 HA ARG 40 HA ARG 40 1.729 13.248 -10.278 308 HB2 ARG 40 2HB ARG 40 3.013 14.054 -12.876 309 HB3 ARG 40 3HB ARG 40 3.289 14.967 -11.399 310 HG2 ARG 40 2HG ARG 40 4.170 12.959 -10.320 311 HG3 ARG 40 3HG ARG 40 3.895 12.045 -11.805 312 HD2 ARG 40 2HD ARG 40 5.913 12.654 -12.500 313 HD3 ARG 40 3HD ARG 40 5.355 14.326 -12.546 314 HE ARG 40 HE ARG 40 6.028 13.905 -9.936 315 HH11 ARG 40 1HH1 ARG 40 7.678 13.577 -12.985 316 HH12 ARG 40 2HH1 ARG 40 9.240 13.928 -12.325 317 HH21 ARG 40 1HH2 ARG 40 8.081 14.367 -9.056 318 HH22 ARG 40 2HH2 ARG 40 9.470 14.376 -10.090 319 H MET 41 H MET 41 0.399 14.571 -13.276 320 HA MET 41 HA MET 41 -0.235 17.124 -12.218 321 HB2 MET 41 2HB MET 41 -0.041 16.745 -14.621 322 HB3 MET 41 3HB MET 41 -1.411 15.641 -14.576 323 HG2 MET 41 2HG MET 41 -2.132 17.751 -15.439 324 HG3 MET 41 3HG MET 41 -2.847 17.507 -13.847 325 HE1 MET 41 1HE MET 41 -3.365 19.509 -12.780 326 HE2 MET 41 2HE MET 41 -2.484 21.036 -12.833 327 HE3 MET 41 3HE MET 41 -3.277 20.424 -14.286 328 H ALA 42 H ALA 42 -1.868 14.044 -12.226 329 HA ALA 42 HA ALA 42 -4.432 15.075 -11.469 330 HB1 ALA 42 1HB ALA 42 -4.660 13.042 -12.503 331 HB2 ALA 42 2HB ALA 42 -3.227 12.363 -11.731 332 HB3 ALA 42 3HB ALA 42 -4.720 12.550 -10.810 333 H ASN 43 H ASN 43 -1.641 13.754 -9.770 334 HA ASN 43 HA ASN 43 -2.905 13.632 -7.217 335 HB2 ASN 43 2HB ASN 43 0.042 13.734 -7.902 336 HB3 ASN 43 3HB ASN 43 -0.638 13.273 -6.345 337 HD21 ASN 43 1HD2 ASN 43 1.052 11.593 -7.652 338 HD22 ASN 43 2HD2 ASN 43 0.186 10.213 -8.228 339 H VAL 44 H VAL 44 -0.634 15.924 -8.713 340 HA VAL 44 HA VAL 44 -0.513 17.699 -6.523 341 HB VAL 44 HB VAL 44 1.167 17.737 -8.293 342 HG11 VAL 44 1HG1 VAL 44 0.753 18.068 -10.490 343 HG12 VAL 44 2HG1 VAL 44 -0.850 17.478 -10.049 344 HG13 VAL 44 3HG1 VAL 44 -0.553 19.211 -10.184 345 HG21 VAL 44 1HG2 VAL 44 1.480 20.070 -8.394 346 HG22 VAL 44 2HG2 VAL 44 -0.254 20.386 -8.338 347 HG23 VAL 44 3HG2 VAL 44 0.579 19.785 -6.904 348 H SER 45 H SER 45 -2.653 17.492 -9.309 349 HA SER 45 HA SER 45 -3.912 19.985 -9.049 350 HB2 SER 45 2HB SER 45 -5.763 18.952 -10.352 351 HB3 SER 45 3HB SER 45 -4.178 18.646 -11.060 352 HG SER 45 HG SER 45 -5.648 16.853 -9.417 353 H THR 46 H THR 46 -4.110 17.161 -7.135 354 HA THR 46 HA THR 46 -6.593 18.096 -5.863 355 HB THR 46 HB THR 46 -6.575 15.816 -4.756 356 HG1 THR 46 HG1 THR 46 -5.220 14.263 -5.638 357 HG21 THR 46 1HG2 THR 46 -7.816 16.554 -6.926 358 HG22 THR 46 2HG2 THR 46 -7.748 14.844 -6.503 359 HG23 THR 46 3HG2 THR 46 -6.662 15.493 -7.730 360 H GLY 47 H GLY 47 -3.492 18.702 -5.520 361 HA2 GLY 47 2HA GLY 47 -2.097 19.263 -3.783 362 HA3 GLY 47 3HA GLY 47 -3.582 19.654 -2.929 363 H ARG 48 H ARG 48 -2.625 16.451 -4.043 364 HA ARG 48 HA ARG 48 -2.869 15.474 -1.311 365 HB2 ARG 48 2HB ARG 48 -3.516 14.422 -3.822 366 HB3 ARG 48 3HB ARG 48 -2.145 13.467 -3.272 367 HG2 ARG 48 2HG ARG 48 -3.350 12.417 -1.711 368 HG3 ARG 48 3HG ARG 48 -4.186 13.893 -1.225 369 HD2 ARG 48 2HD ARG 48 -5.544 13.680 -3.337 370 HD3 ARG 48 3HD ARG 48 -4.830 12.081 -3.541 371 HE ARG 48 HE ARG 48 -6.925 12.810 -1.744 372 HH11 ARG 48 1HH1 ARG 48 -4.233 10.649 -2.194 373 HH12 ARG 48 2HH1 ARG 48 -4.882 9.418 -1.163 374 HH21 ARG 48 1HH2 ARG 48 -7.789 11.196 -0.384 375 HH22 ARG 48 2HH2 ARG 48 -6.905 9.730 -0.134 376 H GLU 49 H GLU 49 -1.110 15.590 -0.080 377 HA GLU 49 HA GLU 49 1.501 15.959 -0.888 378 HB2 GLU 49 2HB GLU 49 0.137 15.385 1.569 379 HB3 GLU 49 3HB GLU 49 1.603 14.419 1.485 380 HG2 GLU 49 2HG GLU 49 2.071 16.489 2.600 381 HG3 GLU 49 3HG GLU 49 2.898 16.464 1.044 382 HA PRO 50 HA PRO 50 2.325 11.216 -0.557 383 HB2 PRO 50 2HB PRO 50 0.177 9.588 -0.236 384 HB3 PRO 50 3HB PRO 50 1.063 10.288 1.124 385 HG2 PRO 50 2HG PRO 50 -1.503 11.188 -0.128 386 HG3 PRO 50 3HG PRO 50 -1.076 11.071 1.589 387 HD2 PRO 50 2HD PRO 50 -1.041 13.416 0.235 388 HD3 PRO 50 3HD PRO 50 0.080 13.065 1.566 389 H GLY 51 H GLY 51 -0.104 12.731 -2.367 390 HA2 GLY 51 2HA GLY 51 -0.759 10.746 -4.252 391 HA3 GLY 51 3HA GLY 51 -0.853 12.480 -4.522 392 H ASP 52 H ASP 52 1.072 9.611 -4.905 393 HA ASP 52 HA ASP 52 2.738 11.054 -6.840 394 HB2 ASP 52 2HB ASP 52 3.677 9.368 -4.539 395 HB3 ASP 52 3HB ASP 52 4.645 9.489 -6.006 396 H ILE 53 H ILE 53 2.763 7.723 -5.606 397 HA ILE 53 HA ILE 53 1.815 6.784 -8.219 398 HB ILE 53 HB ILE 53 4.240 5.676 -6.799 399 HG12 ILE 53 2HG1 ILE 53 4.615 7.829 -7.993 400 HG13 ILE 53 3HG1 ILE 53 5.515 6.486 -8.691 401 HG21 ILE 53 1HG2 ILE 53 2.647 4.742 -9.150 402 HG22 ILE 53 2HG2 ILE 53 4.369 4.381 -9.040 403 HG23 ILE 53 3HG2 ILE 53 3.269 3.819 -7.781 404 HD11 ILE 53 1HD1 ILE 53 2.884 7.454 -9.770 405 HD12 ILE 53 2HD1 ILE 53 4.452 8.030 -10.338 406 HD13 ILE 53 3HD1 ILE 53 4.016 6.331 -10.523 407 HA PRO 54 HA PRO 54 -0.377 4.706 -4.707 408 HB2 PRO 54 2HB PRO 54 -2.840 4.910 -5.830 409 HB3 PRO 54 3HB PRO 54 -2.123 6.192 -4.848 410 HG2 PRO 54 2HG PRO 54 -2.265 5.944 -7.828 411 HG3 PRO 54 3HG PRO 54 -2.541 7.370 -6.810 412 HD2 PRO 54 2HD PRO 54 -0.215 6.951 -8.132 413 HD3 PRO 54 3HD PRO 54 -0.287 7.788 -6.568 414 H GLU 55 H GLU 55 -1.557 2.692 -4.722 415 HA GLU 55 HA GLU 55 -1.798 1.257 -7.227 416 HB2 GLU 55 2HB GLU 55 -0.359 -0.589 -6.580 417 HB3 GLU 55 3HB GLU 55 0.563 0.908 -6.602 418 HG2 GLU 55 2HG GLU 55 -0.448 0.604 -3.990 419 HG3 GLU 55 3HG GLU 55 0.213 -0.955 -4.478 420 H THR 56 H THR 56 -3.770 2.082 -5.484 421 HA THR 56 HA THR 56 -4.850 -0.494 -4.638 422 HB THR 56 HB THR 56 -5.492 0.207 -2.461 423 HG1 THR 56 HG1 THR 56 -5.064 2.361 -1.742 424 HG21 THR 56 1HG2 THR 56 -2.656 1.123 -2.955 425 HG22 THR 56 2HG2 THR 56 -3.171 -0.527 -2.606 426 HG23 THR 56 3HG2 THR 56 -3.344 0.730 -1.381 427 H LEU 57 H LEU 57 -7.036 -0.668 -4.874 428 HA LEU 57 HA LEU 57 -8.382 0.975 -6.647 429 HB2 LEU 57 2HB LEU 57 -8.909 -1.388 -5.330 430 HB3 LEU 57 3HB LEU 57 -10.154 -0.301 -4.720 431 HG LEU 57 HG LEU 57 -10.994 -1.568 -6.601 432 HD11 LEU 57 1HD1 LEU 57 -10.497 1.229 -7.577 433 HD12 LEU 57 2HD1 LEU 57 -11.599 0.867 -6.250 434 HD13 LEU 57 3HD1 LEU 57 -11.904 0.203 -7.855 435 HD21 LEU 57 1HD2 LEU 57 -9.865 -0.815 -8.883 436 HD22 LEU 57 2HD2 LEU 57 -9.305 -2.222 -7.978 437 HD23 LEU 57 3HD2 LEU 57 -8.449 -0.686 -7.842 438 H ASP 58 H ASP 58 -7.996 1.279 -3.207 439 HA ASP 58 HA ASP 58 -10.109 3.179 -2.837 440 HB2 ASP 58 2HB ASP 58 -8.083 1.871 -1.177 441 HB3 ASP 58 3HB ASP 58 -8.382 3.545 -0.717 442 H GLN 59 H GLN 59 -6.556 3.435 -2.903 443 HA GLN 59 HA GLN 59 -6.410 6.216 -2.673 444 HB2 GLN 59 2HB GLN 59 -4.568 4.141 -3.818 445 HB3 GLN 59 3HB GLN 59 -4.167 5.849 -3.939 446 HG2 GLN 59 2HG GLN 59 -3.660 6.025 -1.760 447 HG3 GLN 59 3HG GLN 59 -4.947 4.929 -1.261 448 HE21 GLN 59 1HE2 GLN 59 -2.260 4.436 -3.505 449 HE22 GLN 59 2HE2 GLN 59 -1.548 3.120 -2.641 450 H LEU 60 H LEU 60 -6.500 4.167 -5.572 451 HA LEU 60 HA LEU 60 -6.296 6.253 -7.450 452 HB2 LEU 60 2HB LEU 60 -7.248 3.431 -7.523 453 HB3 LEU 60 3HB LEU 60 -7.581 4.478 -8.902 454 HG LEU 60 HG LEU 60 -5.567 3.066 -9.187 455 HD11 LEU 60 1HD1 LEU 60 -4.678 4.645 -10.487 456 HD12 LEU 60 2HD1 LEU 60 -4.336 5.703 -9.118 457 HD13 LEU 60 3HD1 LEU 60 -5.939 5.704 -9.854 458 HD21 LEU 60 1HD2 LEU 60 -4.780 2.970 -6.912 459 HD22 LEU 60 2HD2 LEU 60 -4.523 4.715 -6.888 460 HD23 LEU 60 3HD2 LEU 60 -3.531 3.692 -7.928 461 H ARG 61 H ARG 61 -9.175 4.466 -6.336 462 HA ARG 61 HA ARG 61 -11.106 5.868 -7.721 463 HB2 ARG 61 2HB ARG 61 -11.635 3.863 -6.464 464 HB3 ARG 61 3HB ARG 61 -11.263 4.675 -4.950 465 HG2 ARG 61 2HG ARG 61 -13.261 6.122 -6.447 466 HG3 ARG 61 3HG ARG 61 -13.747 4.449 -6.164 467 HD2 ARG 61 2HD ARG 61 -13.617 4.686 -3.837 468 HD3 ARG 61 3HD ARG 61 -12.651 6.156 -3.955 469 HE ARG 61 HE ARG 61 -15.084 6.707 -5.155 470 HH11 ARG 61 1HH1 ARG 61 -13.916 5.801 -2.002 471 HH12 ARG 61 2HH1 ARG 61 -15.189 6.613 -1.154 472 HH21 ARG 61 1HH2 ARG 61 -16.766 7.780 -4.049 473 HH22 ARG 61 2HH2 ARG 61 -16.810 7.737 -2.318 474 H LEU 62 H LEU 62 -9.310 6.813 -4.890 475 HA LEU 62 HA LEU 62 -11.008 8.987 -4.149 476 HB2 LEU 62 2HB LEU 62 -8.779 7.675 -3.071 477 HB3 LEU 62 3HB LEU 62 -8.275 9.345 -3.324 478 HG LEU 62 HG LEU 62 -9.091 9.016 -1.060 479 HD11 LEU 62 1HD1 LEU 62 -11.303 10.565 -2.276 480 HD12 LEU 62 2HD1 LEU 62 -9.657 11.090 -2.624 481 HD13 LEU 62 3HD1 LEU 62 -10.213 10.985 -0.954 482 HD21 LEU 62 1HD2 LEU 62 -11.899 8.673 -1.763 483 HD22 LEU 62 2HD2 LEU 62 -10.932 7.870 -0.524 484 HD23 LEU 62 3HD2 LEU 62 -10.898 7.284 -2.188 485 H VAL 63 H VAL 63 -7.677 9.024 -5.432 486 HA VAL 63 HA VAL 63 -7.545 11.703 -6.079 487 HB VAL 63 HB VAL 63 -5.571 10.318 -6.165 488 HG11 VAL 63 1HG1 VAL 63 -6.774 9.001 -8.598 489 HG12 VAL 63 2HG1 VAL 63 -5.197 8.657 -7.885 490 HG13 VAL 63 3HG1 VAL 63 -6.670 8.271 -6.996 491 HG21 VAL 63 1HG2 VAL 63 -6.202 11.420 -8.902 492 HG22 VAL 63 2HG2 VAL 63 -5.592 12.350 -7.533 493 HG23 VAL 63 3HG2 VAL 63 -4.592 11.092 -8.260 494 H ILE 64 H ILE 64 -8.890 9.040 -7.956 495 HA ILE 64 HA ILE 64 -9.314 10.499 -10.344 496 HB ILE 64 HB ILE 64 -10.746 8.045 -9.317 497 HG12 ILE 64 2HG1 ILE 64 -8.684 8.050 -11.488 498 HG13 ILE 64 3HG1 ILE 64 -8.161 8.106 -9.808 499 HG21 ILE 64 1HG2 ILE 64 -12.078 9.168 -11.000 500 HG22 ILE 64 2HG2 ILE 64 -10.685 9.257 -12.077 501 HG23 ILE 64 3HG2 ILE 64 -11.384 7.691 -11.668 502 HD11 ILE 64 1HD1 ILE 64 -8.139 5.841 -10.440 503 HD12 ILE 64 2HD1 ILE 64 -9.575 6.051 -9.437 504 HD13 ILE 64 3HD1 ILE 64 -9.730 5.956 -11.192 505 H CYS 65 H CYS 65 -11.374 9.811 -7.545 506 HA CYS 65 HA CYS 65 -13.743 10.934 -8.518 507 HB2 CYS 65 2HB CYS 65 -13.769 9.568 -6.532 508 HB3 CYS 65 3HB CYS 65 -12.703 10.687 -5.692 509 HG CYS 65 HG CYS 65 -14.503 12.412 -4.923 510 H ASP 66 H ASP 66 -11.209 12.406 -6.498 511 HA ASP 66 HA ASP 66 -12.378 14.980 -6.443 512 HB2 ASP 66 2HB ASP 66 -9.762 13.800 -5.700 513 HB3 ASP 66 3HB ASP 66 -9.781 15.535 -6.002 514 H LEU 67 H LEU 67 -10.384 13.335 -8.751 515 HA LEU 67 HA LEU 67 -9.370 15.586 -10.126 516 HB2 LEU 67 2HB LEU 67 -9.367 12.733 -10.426 517 HB3 LEU 67 3HB LEU 67 -9.717 13.497 -11.977 518 HG LEU 67 HG LEU 67 -7.330 13.019 -11.695 519 HD11 LEU 67 1HD1 LEU 67 -8.411 15.732 -12.085 520 HD12 LEU 67 2HD1 LEU 67 -7.412 14.740 -13.147 521 HD13 LEU 67 3HD1 LEU 67 -6.672 15.623 -11.812 522 HD21 LEU 67 1HD2 LEU 67 -6.510 15.021 -9.913 523 HD22 LEU 67 2HD2 LEU 67 -6.391 13.273 -9.700 524 HD23 LEU 67 3HD2 LEU 67 -7.802 14.142 -9.096 525 H GLN 68 H GLN 68 -12.182 13.501 -10.774 526 HA GLN 68 HA GLN 68 -13.086 14.917 -13.034 527 HB2 GLN 68 2HB GLN 68 -13.765 12.572 -12.067 528 HB3 GLN 68 3HB GLN 68 -14.994 13.497 -11.217 529 HG2 GLN 68 2HG GLN 68 -14.609 13.271 -14.190 530 HG3 GLN 68 3HG GLN 68 -15.946 12.643 -13.227 531 HE21 GLN 68 1HE2 GLN 68 -14.975 15.097 -15.208 532 HE22 GLN 68 2HE2 GLN 68 -16.145 16.291 -14.773 533 H GLU 69 H GLU 69 -14.009 15.121 -9.610 534 HA GLU 69 HA GLU 69 -15.992 17.090 -9.918 535 HB2 GLU 69 2HB GLU 69 -15.201 15.579 -7.852 536 HB3 GLU 69 3HB GLU 69 -14.379 17.073 -7.425 537 HG2 GLU 69 2HG GLU 69 -17.083 17.633 -8.187 538 HG3 GLU 69 3HG GLU 69 -17.049 16.379 -6.948 539 H ARG 70 H ARG 70 -12.563 17.388 -9.012 540 HA ARG 70 HA ARG 70 -12.550 20.199 -8.827 541 HB2 ARG 70 2HB ARG 70 -10.810 18.636 -7.899 542 HB3 ARG 70 3HB ARG 70 -10.206 18.434 -9.538 543 HG2 ARG 70 2HG ARG 70 -9.001 20.281 -9.376 544 HG3 ARG 70 3HG ARG 70 -10.425 21.223 -8.928 545 HD2 ARG 70 2HD ARG 70 -9.976 19.936 -6.612 546 HD3 ARG 70 3HD ARG 70 -8.328 20.021 -7.233 547 HE ARG 70 HE ARG 70 -9.934 22.203 -6.268 548 HH11 ARG 70 1HH1 ARG 70 -7.252 21.290 -8.290 549 HH12 ARG 70 2HH1 ARG 70 -6.498 22.848 -8.217 550 HH21 ARG 70 1HH2 ARG 70 -8.951 24.258 -6.163 551 HH22 ARG 70 2HH2 ARG 70 -7.465 24.535 -7.007 552 H ARG 71 H ARG 71 -12.054 17.991 -11.514 553 HA ARG 71 HA ARG 71 -10.964 19.770 -13.371 554 HB2 ARG 71 2HB ARG 71 -10.964 17.432 -13.862 555 HB3 ARG 71 3HB ARG 71 -12.715 17.341 -13.727 556 HG2 ARG 71 2HG ARG 71 -11.971 19.264 -15.726 557 HG3 ARG 71 3HG ARG 71 -11.202 17.707 -16.043 558 HD2 ARG 71 2HD ARG 71 -13.354 16.594 -15.939 559 HD3 ARG 71 3HD ARG 71 -14.144 18.114 -15.523 560 HE ARG 71 HE ARG 71 -12.705 18.200 -18.010 561 HH11 ARG 71 1HH1 ARG 71 -15.724 17.398 -16.473 562 HH12 ARG 71 2HH1 ARG 71 -16.660 17.588 -17.918 563 HH21 ARG 71 1HH2 ARG 71 -13.927 18.452 -19.920 564 HH22 ARG 71 2HH2 ARG 71 -15.637 18.185 -19.879 565 H GLU 72 H GLU 72 -14.371 18.910 -12.798 566 HA GLU 72 HA GLU 72 -15.469 20.611 -14.739 567 HB2 GLU 72 2HB GLU 72 -16.436 18.827 -12.786 568 HB3 GLU 72 3HB GLU 72 -17.212 20.369 -12.458 569 HG2 GLU 72 2HG GLU 72 -17.163 19.169 -15.204 570 HG3 GLU 72 3HG GLU 72 -18.404 18.761 -14.022 571 H LYS 73 H LYS 73 -15.055 21.113 -11.237 572 HA LYS 73 HA LYS 73 -16.061 23.722 -11.140 573 HB2 LYS 73 2HB LYS 73 -14.154 22.176 -9.410 574 HB3 LYS 73 3HB LYS 73 -14.485 23.871 -9.076 575 HG2 LYS 73 2HG LYS 73 -16.992 23.027 -9.245 576 HG3 LYS 73 3HG LYS 73 -16.237 21.499 -8.786 577 HD2 LYS 73 2HD LYS 73 -15.654 22.254 -6.714 578 HD3 LYS 73 3HD LYS 73 -15.469 23.924 -7.254 579 HE2 LYS 73 2HE LYS 73 -17.378 24.071 -5.980 580 HE3 LYS 73 3HE LYS 73 -18.058 23.796 -7.583 581 HZ1 LYS 73 1HZ LYS 73 -18.370 22.243 -5.266 582 HZ2 LYS 73 2HZ LYS 73 -17.573 21.305 -6.427 583 HZ3 LYS 73 3HZ LYS 73 -19.068 22.011 -6.790 584 H PHE 74 H PHE 74 -13.021 22.497 -12.244 585 HA PHE 74 HA PHE 74 -11.735 25.101 -12.175 586 HB2 PHE 74 2HB PHE 74 -10.383 23.130 -11.677 587 HB3 PHE 74 3HB PHE 74 -10.779 22.438 -13.246 588 HD1 PHE 74 HD1 PHE 74 -9.761 25.894 -12.318 589 HD2 PHE 74 HD2 PHE 74 -8.802 22.326 -14.432 590 HE1 PHE 74 HE1 PHE 74 -7.799 27.008 -13.301 591 HE2 PHE 74 HE2 PHE 74 -6.840 23.434 -15.417 592 HZ PHE 74 HZ PHE 74 -6.335 25.777 -14.852 593 H GLY 75 H GLY 75 -13.483 23.097 -14.386 594 HA2 GLY 75 2HA GLY 75 -14.497 24.269 -16.289 595 HA3 GLY 75 3HA GLY 75 -12.949 25.070 -16.520 596 H SER 76 H SER 76 -13.391 24.217 -18.754 597 HA SER 76 HA SER 76 -12.792 21.374 -19.062 598 HB2 SER 76 2HB SER 76 -13.886 21.476 -21.043 599 HB3 SER 76 3HB SER 76 -14.525 22.996 -20.415 600 HG SER 76 HG SER 76 -13.584 23.869 -22.070 601 H SER 77 H SER 77 -11.035 20.601 -20.244 602 HA SER 77 HA SER 77 -9.145 22.151 -21.596 603 HB2 SER 77 2HB SER 77 -8.123 23.178 -19.861 604 HB3 SER 77 3HB SER 77 -8.836 22.083 -18.676 605 HG SER 77 HG SER 77 -6.608 21.776 -18.738 606 H LYS 78 H LYS 78 -8.149 20.768 -22.894 607 HA LYS 78 HA LYS 78 -8.448 18.002 -22.756 608 HB2 LYS 78 2HB LYS 78 -7.518 19.745 -24.630 609 HB3 LYS 78 3HB LYS 78 -6.025 18.956 -24.140 610 HG2 LYS 78 2HG LYS 78 -7.063 16.769 -24.613 611 HG3 LYS 78 3HG LYS 78 -8.503 17.609 -25.191 612 HD2 LYS 78 2HD LYS 78 -5.777 18.156 -26.331 613 HD3 LYS 78 3HD LYS 78 -6.799 16.850 -26.939 614 HE2 LYS 78 2HE LYS 78 -8.382 19.201 -26.746 615 HE3 LYS 78 3HE LYS 78 -6.883 19.618 -27.576 616 HZ1 LYS 78 1HZ LYS 78 -7.814 17.175 -28.585 617 HZ2 LYS 78 2HZ LYS 78 -7.657 18.653 -29.393 618 HZ3 LYS 78 3HZ LYS 78 -9.103 18.271 -28.602 619 H GLU 79 H GLU 79 -6.154 20.081 -21.222 620 HA GLU 79 HA GLU 79 -4.133 18.147 -20.725 621 HB2 GLU 79 2HB GLU 79 -4.807 20.825 -19.548 622 HB3 GLU 79 3HB GLU 79 -3.555 19.825 -18.826 623 HG2 GLU 79 2HG GLU 79 -2.627 19.726 -21.259 624 HG3 GLU 79 3HG GLU 79 -3.604 21.178 -21.479 625 H ILE 80 H ILE 80 -6.460 19.628 -18.458 626 HA ILE 80 HA ILE 80 -6.018 17.828 -16.364 627 HB ILE 80 HB ILE 80 -7.153 19.930 -15.975 628 HG12 ILE 80 2HG1 ILE 80 -9.430 18.244 -15.288 629 HG13 ILE 80 3HG1 ILE 80 -7.892 17.476 -14.906 630 HG21 ILE 80 1HG2 ILE 80 -8.349 20.011 -18.140 631 HG22 ILE 80 2HG2 ILE 80 -9.478 18.803 -17.527 632 HG23 ILE 80 3HG2 ILE 80 -9.383 20.390 -16.762 633 HD11 ILE 80 1HD1 ILE 80 -8.456 20.287 -14.058 634 HD12 ILE 80 2HD1 ILE 80 -9.033 18.910 -13.116 635 HD13 ILE 80 3HD1 ILE 80 -7.304 19.128 -13.392 636 H ASP 81 H ASP 81 -8.272 17.715 -19.072 637 HA ASP 81 HA ASP 81 -9.824 15.541 -18.223 638 HB2 ASP 81 2HB ASP 81 -10.406 17.028 -20.123 639 HB3 ASP 81 3HB ASP 81 -9.110 16.296 -21.065 640 H MET 82 H MET 82 -6.825 15.661 -20.105 641 HA MET 82 HA MET 82 -6.652 12.922 -20.691 642 HB2 MET 82 2HB MET 82 -4.762 15.211 -20.642 643 HB3 MET 82 3HB MET 82 -4.059 13.600 -20.618 644 HG2 MET 82 2HG MET 82 -6.149 13.893 -22.616 645 HG3 MET 82 3HG MET 82 -4.807 15.011 -22.848 646 HE1 MET 82 1HE MET 82 -2.022 13.635 -23.788 647 HE2 MET 82 2HE MET 82 -3.036 13.257 -25.180 648 HE3 MET 82 3HE MET 82 -3.352 14.708 -24.228 649 H ALA 83 H ALA 83 -5.210 14.800 -18.035 650 HA ALA 83 HA ALA 83 -3.861 12.735 -16.757 651 HB1 ALA 83 1HB ALA 83 -3.496 14.208 -15.066 652 HB2 ALA 83 2HB ALA 83 -4.055 15.347 -16.291 653 HB3 ALA 83 3HB ALA 83 -5.166 14.774 -15.048 654 H ILE 84 H ILE 84 -7.247 13.687 -16.557 655 HA ILE 84 HA ILE 84 -7.946 12.033 -14.374 656 HB ILE 84 HB ILE 84 -9.683 13.066 -16.620 657 HG12 ILE 84 2HG1 ILE 84 -9.715 14.178 -13.853 658 HG13 ILE 84 3HG1 ILE 84 -8.367 14.612 -14.899 659 HG21 ILE 84 1HG2 ILE 84 -11.449 12.761 -14.723 660 HG22 ILE 84 2HG2 ILE 84 -10.977 11.386 -15.722 661 HG23 ILE 84 3HG2 ILE 84 -10.296 11.578 -14.108 662 HD11 ILE 84 1HD1 ILE 84 -9.649 16.232 -15.693 663 HD12 ILE 84 2HD1 ILE 84 -10.618 14.983 -16.475 664 HD13 ILE 84 3HD1 ILE 84 -11.076 15.587 -14.884 665 H VAL 85 H VAL 85 -8.605 11.586 -17.856 666 HA VAL 85 HA VAL 85 -9.579 8.982 -17.688 667 HB VAL 85 HB VAL 85 -9.781 10.382 -19.705 668 HG11 VAL 85 1HG1 VAL 85 -7.641 11.414 -19.833 669 HG12 VAL 85 2HG1 VAL 85 -6.826 9.853 -19.948 670 HG13 VAL 85 3HG1 VAL 85 -7.828 10.427 -21.282 671 HG21 VAL 85 1HG2 VAL 85 -8.417 7.730 -20.159 672 HG22 VAL 85 2HG2 VAL 85 -10.140 7.985 -19.885 673 HG23 VAL 85 3HG2 VAL 85 -9.379 8.601 -21.353 674 H THR 86 H THR 86 -6.347 10.167 -17.477 675 HA THR 86 HA THR 86 -4.990 7.777 -18.214 676 HB THR 86 HB THR 86 -4.059 10.109 -16.530 677 HG1 THR 86 HG1 THR 86 -3.565 11.001 -18.395 678 HG21 THR 86 1HG2 THR 86 -2.800 7.554 -17.187 679 HG22 THR 86 2HG2 THR 86 -2.360 8.752 -15.971 680 HG23 THR 86 3HG2 THR 86 -1.829 8.954 -17.640 681 H LEU 87 H LEU 87 -5.440 9.283 -15.007 682 HA LEU 87 HA LEU 87 -4.523 7.069 -13.541 683 HB2 LEU 87 2HB LEU 87 -5.822 9.614 -12.992 684 HB3 LEU 87 3HB LEU 87 -6.310 8.346 -11.871 685 HG LEU 87 HG LEU 87 -3.487 9.281 -12.386 686 HD11 LEU 87 1HD1 LEU 87 -3.655 10.609 -10.588 687 HD12 LEU 87 2HD1 LEU 87 -4.658 9.460 -9.704 688 HD13 LEU 87 3HD1 LEU 87 -5.389 10.528 -10.901 689 HD21 LEU 87 1HD2 LEU 87 -3.807 7.685 -10.038 690 HD22 LEU 87 2HD2 LEU 87 -2.764 7.412 -11.434 691 HD23 LEU 87 3HD2 LEU 87 -4.417 6.795 -11.434 692 H LYS 88 H LYS 88 -7.533 7.700 -15.080 693 HA LYS 88 HA LYS 88 -9.147 5.950 -13.510 694 HB2 LYS 88 2HB LYS 88 -9.510 7.721 -15.729 695 HB3 LYS 88 3HB LYS 88 -10.205 6.157 -16.137 696 HG2 LYS 88 2HG LYS 88 -11.960 6.518 -14.834 697 HG3 LYS 88 3HG LYS 88 -10.931 6.924 -13.458 698 HD2 LYS 88 2HD LYS 88 -10.838 9.199 -14.070 699 HD3 LYS 88 3HD LYS 88 -11.472 8.872 -15.685 700 HE2 LYS 88 2HE LYS 88 -13.457 7.904 -14.070 701 HE3 LYS 88 3HE LYS 88 -12.880 9.296 -13.155 702 HZ1 LYS 88 1HZ LYS 88 -13.108 10.020 -15.856 703 HZ2 LYS 88 2HZ LYS 88 -13.968 10.622 -14.529 704 HZ3 LYS 88 3HZ LYS 88 -14.557 9.285 -15.381 705 H VAL 89 H VAL 89 -8.048 5.613 -16.890 706 HA VAL 89 HA VAL 89 -8.642 2.876 -17.088 707 HB VAL 89 HB VAL 89 -8.313 4.273 -19.063 708 HG11 VAL 89 1HG1 VAL 89 -6.333 5.289 -19.663 709 HG12 VAL 89 2HG1 VAL 89 -6.296 5.460 -17.907 710 HG13 VAL 89 3HG1 VAL 89 -5.352 4.193 -18.691 711 HG21 VAL 89 1HG2 VAL 89 -6.125 2.445 -19.589 712 HG22 VAL 89 2HG2 VAL 89 -7.443 1.666 -18.714 713 HG23 VAL 89 3HG2 VAL 89 -7.758 2.469 -20.252 714 H PHE 90 H PHE 90 -5.950 4.546 -15.707 715 HA PHE 90 HA PHE 90 -4.103 2.368 -15.802 716 HB2 PHE 90 2HB PHE 90 -3.408 4.747 -15.589 717 HB3 PHE 90 3HB PHE 90 -4.099 4.774 -13.969 718 HD1 PHE 90 HD1 PHE 90 -2.842 4.099 -12.130 719 HD2 PHE 90 HD2 PHE 90 -1.532 3.093 -16.054 720 HE1 PHE 90 HE1 PHE 90 -0.713 3.283 -11.206 721 HE2 PHE 90 HE2 PHE 90 0.598 2.274 -15.135 722 HZ PHE 90 HZ PHE 90 1.011 2.367 -12.710 723 H ALA 91 H ALA 91 -6.328 3.644 -13.366 724 HA ALA 91 HA ALA 91 -5.562 1.884 -11.287 725 HB1 ALA 91 1HB ALA 91 -8.308 3.065 -11.545 726 HB2 ALA 91 2HB ALA 91 -7.382 2.720 -10.083 727 HB3 ALA 91 3HB ALA 91 -6.910 4.057 -11.132 728 H VAL 92 H VAL 92 -7.985 1.683 -13.842 729 HA VAL 92 HA VAL 92 -9.103 -0.781 -12.863 730 HB VAL 92 HB VAL 92 -9.443 0.427 -15.609 731 HG11 VAL 92 1HG1 VAL 92 -11.746 -0.770 -15.186 732 HG12 VAL 92 2HG1 VAL 92 -10.351 -1.671 -15.784 733 HG13 VAL 92 3HG1 VAL 92 -10.784 -1.745 -14.075 734 HG21 VAL 92 1HG2 VAL 92 -10.358 1.364 -13.031 735 HG22 VAL 92 2HG2 VAL 92 -10.467 2.137 -14.612 736 HG23 VAL 92 3HG2 VAL 92 -11.708 0.993 -14.103 737 H ALA 93 H ALA 93 -7.416 0.024 -15.907 738 HA ALA 93 HA ALA 93 -6.915 -2.639 -16.646 739 HB1 ALA 93 1HB ALA 93 -6.832 -0.632 -18.147 740 HB2 ALA 93 2HB ALA 93 -5.257 -0.257 -17.448 741 HB3 ALA 93 3HB ALA 93 -5.491 -1.760 -18.338 742 H GLY 94 H GLY 94 -5.445 -0.666 -14.280 743 HA2 GLY 94 2HA GLY 94 -2.972 -2.239 -14.274 744 HA3 GLY 94 3HA GLY 94 -3.271 -0.780 -13.341 745 H LEU 95 H LEU 95 -5.002 -1.008 -11.626 746 HA LEU 95 HA LEU 95 -4.262 -3.016 -9.818 747 HB2 LEU 95 2HB LEU 95 -5.733 -0.692 -9.717 748 HB3 LEU 95 3HB LEU 95 -6.936 -1.936 -9.388 749 HG LEU 95 HG LEU 95 -6.129 -1.156 -7.295 750 HD11 LEU 95 1HD1 LEU 95 -5.951 -3.804 -8.081 751 HD12 LEU 95 2HD1 LEU 95 -5.983 -3.197 -6.426 752 HD13 LEU 95 3HD1 LEU 95 -4.439 -3.505 -7.222 753 HD21 LEU 95 1HD2 LEU 95 -3.552 -1.127 -8.694 754 HD22 LEU 95 2HD2 LEU 95 -3.480 -1.707 -7.030 755 HD23 LEU 95 3HD2 LEU 95 -4.146 -0.111 -7.380 756 H LEU 96 H LEU 96 -7.145 -2.708 -11.870 757 HA LEU 96 HA LEU 96 -8.120 -5.308 -11.048 758 HB2 LEU 96 2HB LEU 96 -9.286 -3.001 -12.063 759 HB3 LEU 96 3HB LEU 96 -9.409 -4.166 -13.379 760 HG LEU 96 HG LEU 96 -11.433 -4.200 -12.077 761 HD11 LEU 96 1HD1 LEU 96 -11.490 -6.567 -11.438 762 HD12 LEU 96 2HD1 LEU 96 -9.731 -6.630 -11.544 763 HD13 LEU 96 3HD1 LEU 96 -10.690 -6.321 -12.992 764 HD21 LEU 96 1HD2 LEU 96 -10.690 -5.315 -9.623 765 HD22 LEU 96 2HD2 LEU 96 -11.352 -3.707 -9.913 766 HD23 LEU 96 3HD2 LEU 96 -9.605 -3.947 -9.871 767 H ASN 97 H ASN 97 -5.729 -4.372 -13.049 768 HA ASN 97 HA ASN 97 -4.647 -5.270 -14.843 769 HB2 ASN 97 2HB ASN 97 -5.984 -7.821 -13.918 770 HB3 ASN 97 3HB ASN 97 -4.530 -7.699 -14.903 771 HD21 ASN 97 1HD2 ASN 97 -5.289 -8.715 -12.094 772 HD22 ASN 97 2HD2 ASN 97 -4.018 -8.095 -11.101 773 H MET 98 H MET 98 -7.338 -4.214 -15.292 774 HA MET 98 HA MET 98 -8.783 -5.865 -17.071 775 HB2 MET 98 2HB MET 98 -9.284 -3.495 -15.858 776 HB3 MET 98 3HB MET 98 -8.929 -2.943 -17.490 777 HG2 MET 98 2HG MET 98 -11.141 -3.275 -17.744 778 HG3 MET 98 3HG MET 98 -10.609 -4.920 -18.084 779 HE1 MET 98 1HE MET 98 -11.665 -6.622 -17.442 780 HE2 MET 98 2HE MET 98 -12.418 -7.017 -15.897 781 HE3 MET 98 3HE MET 98 -13.304 -6.072 -17.094 782 H THR 99 H THR 99 -8.643 -6.185 -19.226 783 HA THR 99 HA THR 99 -6.263 -5.157 -20.566 784 HB THR 99 HB THR 99 -6.687 -7.574 -20.680 785 HG1 THR 99 HG1 THR 99 -6.658 -7.662 -23.075 786 HG21 THR 99 1HG2 THR 99 -9.348 -6.674 -21.396 787 HG22 THR 99 2HG2 THR 99 -8.804 -8.266 -20.864 788 HG23 THR 99 3HG2 THR 99 -8.713 -7.827 -22.569 789 H VAL 100 H VAL 100 -8.236 -3.231 -20.149 790 HA VAL 100 HA VAL 100 -10.112 -2.822 -22.128 791 HB VAL 100 HB VAL 100 -9.944 -0.440 -21.679 792 HG11 VAL 100 1HG1 VAL 100 -11.132 -1.023 -19.887 793 HG12 VAL 100 2HG1 VAL 100 -10.152 -2.467 -19.619 794 HG13 VAL 100 3HG1 VAL 100 -9.632 -0.913 -18.965 795 HG21 VAL 100 1HG2 VAL 100 -7.773 0.232 -21.570 796 HG22 VAL 100 2HG2 VAL 100 -8.092 0.088 -19.841 797 HG23 VAL 100 3HG2 VAL 100 -7.253 -1.209 -20.693 798 H SER 101 H SER 101 -10.117 -1.651 -24.085 799 HA SER 101 HA SER 101 -7.645 -1.939 -25.595 800 HB2 SER 101 2HB SER 101 -10.032 -0.842 -26.948 801 HB3 SER 101 3HB SER 101 -8.949 -2.142 -27.444 802 HG SER 101 HG SER 101 -11.170 -2.749 -26.846 803 H THR 102 H THR 102 -9.929 0.587 -24.647 804 HA THR 102 HA THR 102 -7.878 2.585 -25.328 805 HB THR 102 HB THR 102 -9.493 4.114 -26.177 806 HG1 THR 102 HG1 THR 102 -11.581 3.949 -25.754 807 HG21 THR 102 1HG2 THR 102 -10.365 1.486 -27.353 808 HG22 THR 102 2HG2 THR 102 -8.760 2.156 -27.647 809 HG23 THR 102 3HG2 THR 102 -10.194 3.047 -28.155 810 H ALA 103 H ALA 103 -7.916 4.514 -24.060 811 HA ALA 103 HA ALA 103 -8.290 4.112 -21.325 812 HB1 ALA 103 1HB ALA 103 -7.453 6.214 -21.037 813 HB2 ALA 103 2HB ALA 103 -6.935 5.918 -22.697 814 HB3 ALA 103 3HB ALA 103 -8.374 6.887 -22.382 815 H ALA 104 H ALA 104 -10.426 5.482 -23.753 816 HA ALA 104 HA ALA 104 -12.331 6.603 -21.999 817 HB1 ALA 104 1HB ALA 104 -11.988 6.807 -24.610 818 HB2 ALA 104 2HB ALA 104 -13.198 5.523 -24.630 819 HB3 ALA 104 3HB ALA 104 -13.564 7.069 -23.862 820 H ALA 105 H ALA 105 -12.214 3.452 -23.649 821 HA ALA 105 HA ALA 105 -14.638 2.433 -22.728 822 HB1 ALA 105 1HB ALA 105 -13.818 1.051 -24.317 823 HB2 ALA 105 2HB ALA 105 -12.144 1.284 -23.812 824 HB3 ALA 105 3HB ALA 105 -13.190 0.184 -22.915 825 H ALA 106 H ALA 106 -11.409 2.268 -21.270 826 HA ALA 106 HA ALA 106 -12.097 0.648 -19.077 827 HB1 ALA 106 1HB ALA 106 -9.985 2.721 -18.776 828 HB2 ALA 106 2HB ALA 106 -9.975 1.020 -18.311 829 HB3 ALA 106 3HB ALA 106 -9.772 1.472 -20.003 830 H GLU 107 H GLU 107 -11.740 4.194 -19.263 831 HA GLU 107 HA GLU 107 -12.498 4.796 -16.664 832 HB2 GLU 107 2HB GLU 107 -11.545 6.487 -18.092 833 HB3 GLU 107 3HB GLU 107 -12.897 6.370 -19.210 834 HG2 GLU 107 2HG GLU 107 -13.605 7.039 -16.437 835 HG3 GLU 107 3HG GLU 107 -12.665 8.253 -17.300 836 H ASN 108 H ASN 108 -14.513 4.362 -19.543 837 HA ASN 108 HA ASN 108 -16.967 5.105 -18.435 838 HB2 ASN 108 2HB ASN 108 -16.356 4.564 -20.889 839 HB3 ASN 108 3HB ASN 108 -16.710 2.893 -20.459 840 HD21 ASN 108 1HD2 ASN 108 -18.106 6.141 -20.239 841 HD22 ASN 108 2HD2 ASN 108 -19.734 5.649 -20.541 842 H MET 109 H MET 109 -15.322 1.970 -18.488 843 HA MET 109 HA MET 109 -17.432 0.536 -17.236 844 HB2 MET 109 2HB MET 109 -15.305 -0.278 -18.583 845 HB3 MET 109 3HB MET 109 -14.593 -0.349 -16.976 846 HG2 MET 109 2HG MET 109 -16.728 -1.701 -16.381 847 HG3 MET 109 3HG MET 109 -16.836 -1.941 -18.123 848 HE1 MET 109 1HE MET 109 -14.399 -4.246 -15.199 849 HE2 MET 109 2HE MET 109 -14.278 -2.499 -14.984 850 HE3 MET 109 3HE MET 109 -15.861 -3.278 -14.999 851 H TYR 110 H TYR 110 -14.522 2.147 -16.047 852 HA TYR 110 HA TYR 110 -14.536 1.270 -13.416 853 HB2 TYR 110 2HB TYR 110 -12.797 2.716 -14.592 854 HB3 TYR 110 3HB TYR 110 -13.834 4.090 -14.226 855 HD1 TYR 110 HD1 TYR 110 -12.659 5.330 -12.643 856 HD2 TYR 110 HD2 TYR 110 -13.007 1.120 -12.132 857 HE1 TYR 110 HE1 TYR 110 -11.625 5.520 -10.419 858 HE2 TYR 110 HE2 TYR 110 -11.975 1.298 -9.908 859 HH TYR 110 HH TYR 110 -11.546 2.870 -8.197 860 H SER 111 H SER 111 -16.269 3.996 -14.874 861 HA SER 111 HA SER 111 -17.548 4.667 -12.366 862 HB2 SER 111 2HB SER 111 -18.547 5.832 -14.910 863 HB3 SER 111 3HB SER 111 -18.187 6.618 -13.372 864 HG SER 111 HG SER 111 -16.642 6.391 -15.564 865 H GLN 112 H GLN 112 -18.298 2.924 -15.297 866 HA GLN 112 HA GLN 112 -21.079 2.822 -15.119 867 HB2 GLN 112 2HB GLN 112 -19.938 2.053 -17.101 868 HB3 GLN 112 3HB GLN 112 -19.121 0.789 -16.192 869 HG2 GLN 112 2HG GLN 112 -22.064 0.744 -16.102 870 HG3 GLN 112 3HG GLN 112 -21.326 0.388 -17.663 871 HE21 GLN 112 1HE2 GLN 112 -20.360 -1.538 -17.983 872 HE22 GLN 112 2HE2 GLN 112 -20.264 -2.788 -16.795 873 H MET 113 H MET 113 -18.613 1.057 -13.386 874 HA MET 113 HA MET 113 -20.511 -0.806 -12.238 875 HB2 MET 113 2HB MET 113 -17.862 -1.005 -12.759 876 HB3 MET 113 3HB MET 113 -17.811 -0.564 -11.058 877 HG2 MET 113 2HG MET 113 -19.614 -2.475 -10.865 878 HG3 MET 113 3HG MET 113 -18.846 -3.023 -12.353 879 HE1 MET 113 1HE MET 113 -15.968 -2.771 -12.360 880 HE2 MET 113 2HE MET 113 -15.343 -4.075 -11.351 881 HE3 MET 113 3HE MET 113 -16.699 -4.374 -12.438 882 H GLY 114 H GLY 114 -19.134 2.264 -11.478 883 HA2 GLY 114 2HA GLY 114 -20.225 3.652 -9.839 884 HA3 GLY 114 3HA GLY 114 -20.551 2.205 -8.897 885 H LEU 115 H LEU 115 -17.440 2.786 -10.366 886 HA LEU 115 HA LEU 115 -16.271 2.954 -7.685 887 HB2 LEU 115 2HB LEU 115 -14.854 2.507 -10.302 888 HB3 LEU 115 3HB LEU 115 -14.202 2.277 -8.681 889 HG LEU 115 HG LEU 115 -16.559 0.643 -9.440 890 HD11 LEU 115 1HD1 LEU 115 -13.807 -0.107 -10.389 891 HD12 LEU 115 2HD1 LEU 115 -15.004 0.661 -11.432 892 HD13 LEU 115 3HD1 LEU 115 -15.339 -0.918 -10.720 893 HD21 LEU 115 1HD2 LEU 115 -15.760 0.262 -7.277 894 HD22 LEU 115 2HD2 LEU 115 -14.073 0.320 -7.790 895 HD23 LEU 115 3HD2 LEU 115 -15.082 -1.061 -8.228 896 H ASP 116 H ASP 116 -16.725 4.760 -10.603 897 HA ASP 116 HA ASP 116 -14.969 6.892 -9.584 898 HB2 ASP 116 2HB ASP 116 -14.232 6.377 -11.750 899 HB3 ASP 116 3HB ASP 116 -15.872 6.157 -12.355 900 H THR 117 H THR 117 -15.948 8.532 -8.624 901 HA THR 117 HA THR 117 -18.781 8.887 -8.726 902 HB THR 117 HB THR 117 -16.946 10.999 -7.654 903 HG1 THR 117 HG1 THR 117 -17.046 9.599 -5.660 904 HG21 THR 117 1HG2 THR 117 -19.592 10.895 -7.659 905 HG22 THR 117 2HG2 THR 117 -18.700 11.545 -6.283 906 HG23 THR 117 3HG2 THR 117 -19.318 9.896 -6.233 907 H ARG 118 H ARG 118 -19.868 9.888 -10.278 908 HA ARG 118 HA ARG 118 -18.527 12.047 -11.770 909 HB2 ARG 118 2HB ARG 118 -20.285 9.810 -12.664 910 HB3 ARG 118 3HB ARG 118 -20.408 11.346 -13.512 911 HG2 ARG 118 2HG ARG 118 -17.719 10.140 -13.081 912 HG3 ARG 118 3HG ARG 118 -18.771 9.490 -14.340 913 HD2 ARG 118 2HD ARG 118 -18.254 12.434 -14.133 914 HD3 ARG 118 3HD ARG 118 -17.103 11.372 -14.942 915 HE ARG 118 HE ARG 118 -19.758 10.984 -15.900 916 HH11 ARG 118 1HH1 ARG 118 -16.979 13.068 -16.130 917 HH12 ARG 118 2HH1 ARG 118 -17.358 13.615 -17.730 918 HH21 ARG 118 1HH2 ARG 118 -20.268 11.696 -18.006 919 HH22 ARG 118 2HH2 ARG 118 -19.230 12.834 -18.795 920 HA PRO 119 HA PRO 119 -22.181 13.832 -9.519 921 HB2 PRO 119 2HB PRO 119 -20.860 16.033 -8.634 922 HB3 PRO 119 3HB PRO 119 -20.869 14.501 -7.755 923 HG2 PRO 119 2HG PRO 119 -18.773 15.629 -9.570 924 HG3 PRO 119 3HG PRO 119 -18.579 14.806 -8.011 925 HD2 PRO 119 2HD PRO 119 -18.184 13.554 -10.379 926 HD3 PRO 119 3HD PRO 119 -18.807 12.712 -8.946 Start of MODEL 9 1 H1 GLY 2 H GLY 2 -0.748 1.584 -0.934 2 HA2 GLY 2 2HA GLY 2 0.867 1.793 -3.103 3 HA3 GLY 2 3HA GLY 2 -0.096 3.139 -2.514 4 H ASN 3 H ASN 3 3.071 1.694 -2.613 5 HA ASN 3 HA ASN 3 4.207 4.266 -1.777 6 HB2 ASN 3 2HB ASN 3 5.035 1.548 -0.741 7 HB3 ASN 3 3HB ASN 3 5.985 3.015 -0.521 8 HD21 ASN 3 1HD2 ASN 3 2.837 1.565 0.121 9 HD22 ASN 3 2HD2 ASN 3 2.524 2.451 1.571 10 H LEU 4 H LEU 4 3.855 3.321 -4.399 11 HA LEU 4 HA LEU 4 4.966 3.045 -6.364 12 HB2 LEU 4 2HB LEU 4 6.343 4.894 -4.949 13 HB3 LEU 4 3HB LEU 4 7.603 3.694 -5.228 14 HG LEU 4 HG LEU 4 6.026 5.200 -7.310 15 HD11 LEU 4 1HD1 LEU 4 7.821 6.520 -7.574 16 HD12 LEU 4 2HD1 LEU 4 8.962 5.203 -7.304 17 HD13 LEU 4 3HD1 LEU 4 8.209 6.013 -5.930 18 HD21 LEU 4 1HD2 LEU 4 8.077 3.016 -7.667 19 HD22 LEU 4 2HD2 LEU 4 7.388 4.000 -8.958 20 HD23 LEU 4 3HD2 LEU 4 6.357 2.902 -8.039 21 H LYS 5 H LYS 5 4.708 0.759 -4.698 22 HA LYS 5 HA LYS 5 6.972 -0.768 -4.299 23 HB2 LYS 5 2HB LYS 5 4.115 -1.274 -4.627 24 HB3 LYS 5 3HB LYS 5 5.109 -2.613 -5.186 25 HG2 LYS 5 2HG LYS 5 4.703 -3.123 -2.962 26 HG3 LYS 5 3HG LYS 5 6.312 -2.398 -2.929 27 HD2 LYS 5 2HD LYS 5 5.428 -0.313 -2.153 28 HD3 LYS 5 3HD LYS 5 3.770 -0.868 -2.393 29 HE2 LYS 5 2HE LYS 5 3.976 -1.208 -0.143 30 HE3 LYS 5 3HE LYS 5 4.531 -2.772 -0.736 31 HZ1 LYS 5 1HZ LYS 5 5.895 -1.208 0.973 32 HZ2 LYS 5 2HZ LYS 5 6.611 -0.787 -0.500 33 HZ3 LYS 5 3HZ LYS 5 6.594 -2.403 0.001 34 H SER 6 H SER 6 8.413 -1.759 -5.564 35 HA SER 6 HA SER 6 8.658 -1.233 -8.275 36 HB2 SER 6 2HB SER 6 10.259 -2.391 -6.407 37 HB3 SER 6 3HB SER 6 9.827 -3.795 -7.382 38 HG SER 6 HG SER 6 11.709 -2.695 -8.144 39 H ARG 7 H ARG 7 6.834 -3.690 -6.648 40 HA ARG 7 HA ARG 7 6.495 -5.392 -8.926 41 HB2 ARG 7 2HB ARG 7 5.807 -5.442 -6.144 42 HB3 ARG 7 3HB ARG 7 4.370 -5.787 -7.097 43 HG2 ARG 7 2HG ARG 7 6.050 -7.409 -8.350 44 HG3 ARG 7 3HG ARG 7 6.864 -7.352 -6.785 45 HD2 ARG 7 2HD ARG 7 4.067 -7.675 -6.349 46 HD3 ARG 7 3HD ARG 7 4.591 -8.866 -7.538 47 HE ARG 7 HE ARG 7 5.752 -9.950 -5.889 48 HH11 ARG 7 1HH1 ARG 7 4.917 -6.755 -4.788 49 HH12 ARG 7 2HH1 ARG 7 5.447 -7.034 -3.162 50 HH21 ARG 7 1HH2 ARG 7 6.454 -10.330 -3.752 51 HH22 ARG 7 2HH2 ARG 7 6.323 -9.068 -2.575 52 H ASP 8 H ASP 8 4.068 -3.509 -7.110 53 HA ASP 8 HA ASP 8 2.095 -3.592 -9.077 54 HB2 ASP 8 2HB ASP 8 2.628 -1.726 -6.781 55 HB3 ASP 8 3HB ASP 8 1.283 -1.433 -7.883 56 H TRP 9 H TRP 9 4.941 -1.658 -8.846 57 HA TRP 9 HA TRP 9 4.091 0.442 -10.586 58 HB2 TRP 9 2HB TRP 9 5.906 0.819 -9.012 59 HB3 TRP 9 3HB TRP 9 6.859 -0.457 -9.763 60 HD1 TRP 9 HD1 TRP 9 8.797 0.670 -10.992 61 HE1 TRP 9 HE1 TRP 9 9.057 2.678 -12.580 62 HE3 TRP 9 HE3 TRP 9 3.991 2.412 -10.891 63 HZ2 TRP 9 HZ2 TRP 9 7.439 4.730 -13.648 64 HZ3 TRP 9 HZ3 TRP 9 3.430 4.403 -12.223 65 HH2 TRP 9 HH2 TRP 9 5.120 5.537 -13.573 66 H LYS 10 H LYS 10 6.560 -2.086 -11.096 67 HA LYS 10 HA LYS 10 6.676 -1.749 -13.887 68 HB2 LYS 10 2HB LYS 10 7.710 -3.678 -11.913 69 HB3 LYS 10 3HB LYS 10 7.497 -4.327 -13.534 70 HG2 LYS 10 2HG LYS 10 8.761 -2.082 -14.179 71 HG3 LYS 10 3HG LYS 10 9.386 -2.276 -12.540 72 HD2 LYS 10 2HD LYS 10 9.388 -4.666 -14.301 73 HD3 LYS 10 3HD LYS 10 10.557 -3.392 -14.656 74 HE2 LYS 10 2HE LYS 10 11.814 -3.917 -12.884 75 HE3 LYS 10 3HE LYS 10 10.413 -4.025 -11.821 76 HZ1 LYS 10 1HZ LYS 10 11.437 -6.143 -13.629 77 HZ2 LYS 10 2HZ LYS 10 9.991 -6.255 -12.761 78 HZ3 LYS 10 3HZ LYS 10 11.465 -6.152 -11.937 79 H MET 11 H MET 11 4.538 -3.569 -11.846 80 HA MET 11 HA MET 11 3.541 -5.298 -13.895 81 HB2 MET 11 2HB MET 11 3.410 -5.903 -11.518 82 HB3 MET 11 3HB MET 11 2.338 -4.540 -11.226 83 HG2 MET 11 2HG MET 11 0.656 -5.531 -12.674 84 HG3 MET 11 3HG MET 11 1.734 -6.883 -13.015 85 HE1 MET 11 1HE MET 11 0.696 -9.395 -10.959 86 HE2 MET 11 2HE MET 11 -0.765 -8.635 -11.590 87 HE3 MET 11 3HE MET 11 0.711 -8.651 -12.558 88 H ALA 12 H ALA 12 1.994 -2.603 -12.133 89 HA ALA 12 HA ALA 12 -0.261 -2.367 -13.726 90 HB1 ALA 12 1HB ALA 12 -0.538 -0.165 -12.805 91 HB2 ALA 12 2HB ALA 12 0.096 -1.230 -11.549 92 HB3 ALA 12 3HB ALA 12 1.168 -0.089 -12.363 93 H ILE 13 H ILE 13 2.903 -0.809 -14.097 94 HA ILE 13 HA ILE 13 2.201 0.770 -16.336 95 HB ILE 13 HB ILE 13 4.889 -0.213 -15.382 96 HG12 ILE 13 2HG1 ILE 13 3.730 1.335 -13.865 97 HG13 ILE 13 3HG1 ILE 13 5.150 2.091 -14.580 98 HG21 ILE 13 1HG2 ILE 13 5.560 0.291 -17.470 99 HG22 ILE 13 2HG2 ILE 13 4.120 1.247 -17.813 100 HG23 ILE 13 3HG2 ILE 13 5.451 1.956 -16.900 101 HD11 ILE 13 1HD1 ILE 13 3.433 3.705 -14.596 102 HD12 ILE 13 2HD1 ILE 13 3.599 3.139 -16.259 103 HD13 ILE 13 3HD1 ILE 13 2.266 2.562 -15.260 104 H LYS 14 H LYS 14 3.542 -2.474 -16.003 105 HA LYS 14 HA LYS 14 4.208 -2.936 -18.680 106 HB2 LYS 14 2HB LYS 14 4.982 -4.458 -17.007 107 HB3 LYS 14 3HB LYS 14 3.340 -4.815 -16.484 108 HG2 LYS 14 2HG LYS 14 3.812 -5.398 -19.303 109 HG3 LYS 14 3HG LYS 14 4.834 -6.327 -18.203 110 HD2 LYS 14 2HD LYS 14 2.496 -6.601 -16.937 111 HD3 LYS 14 3HD LYS 14 1.895 -6.386 -18.583 112 HE2 LYS 14 2HE LYS 14 2.249 -8.580 -18.823 113 HE3 LYS 14 3HE LYS 14 3.960 -8.164 -18.920 114 HZ1 LYS 14 1HZ LYS 14 2.640 -8.680 -16.325 115 HZ2 LYS 14 2HZ LYS 14 4.291 -8.711 -16.693 116 HZ3 LYS 14 3HZ LYS 14 3.276 -9.940 -17.258 117 H ARG 15 H ARG 15 1.212 -3.748 -16.931 118 HA ARG 15 HA ARG 15 -0.126 -4.658 -19.284 119 HB2 ARG 15 2HB ARG 15 -1.026 -4.031 -16.482 120 HB3 ARG 15 3HB ARG 15 -2.179 -4.458 -17.740 121 HG2 ARG 15 2HG ARG 15 0.082 -6.299 -17.522 122 HG3 ARG 15 3HG ARG 15 -0.935 -6.221 -16.083 123 HD2 ARG 15 2HD ARG 15 -2.782 -7.033 -17.179 124 HD3 ARG 15 3HD ARG 15 -2.243 -6.439 -18.749 125 HE ARG 15 HE ARG 15 -1.659 -8.988 -17.569 126 HH11 ARG 15 1HH1 ARG 15 -0.560 -6.569 -19.819 127 HH12 ARG 15 2HH1 ARG 15 0.378 -7.682 -20.759 128 HH21 ARG 15 1HH2 ARG 15 -0.428 -10.463 -18.799 129 HH22 ARG 15 2HH2 ARG 15 0.452 -9.897 -20.179 130 H CYS 16 H CYS 16 0.316 -1.592 -17.756 131 HA CYS 16 HA CYS 16 -1.930 -0.220 -18.732 132 HB2 CYS 16 2HB CYS 16 0.670 0.489 -17.562 133 HB3 CYS 16 3HB CYS 16 0.021 1.706 -18.653 134 HG CYS 16 HG CYS 16 -0.711 1.222 -15.541 135 H SER 17 H SER 17 1.311 -0.656 -20.108 136 HA SER 17 HA SER 17 0.859 0.921 -22.415 137 HB2 SER 17 2HB SER 17 3.102 0.633 -22.261 138 HB3 SER 17 3HB SER 17 2.944 -0.924 -21.446 139 HG SER 17 HG SER 17 3.860 -1.059 -23.576 140 H ASN 18 H ASN 18 -0.312 -2.112 -21.511 141 HA ASN 18 HA ASN 18 -0.434 -3.403 -24.028 142 HB2 ASN 18 2HB ASN 18 -0.959 -4.169 -21.471 143 HB3 ASN 18 3HB ASN 18 -2.594 -3.986 -22.100 144 HD21 ASN 18 1HD2 ASN 18 -2.455 -4.819 -24.623 145 HD22 ASN 18 2HD2 ASN 18 -1.952 -6.471 -24.709 146 H VAL 19 H VAL 19 -2.344 -0.932 -22.529 147 HA VAL 19 HA VAL 19 -4.462 -1.208 -24.530 148 HB VAL 19 HB VAL 19 -5.704 0.430 -23.237 149 HG11 VAL 19 1HG1 VAL 19 -6.173 -0.890 -21.333 150 HG12 VAL 19 2HG1 VAL 19 -5.640 -2.016 -22.585 151 HG13 VAL 19 3HG1 VAL 19 -4.535 -1.544 -21.292 152 HG21 VAL 19 1HG2 VAL 19 -3.180 1.230 -22.341 153 HG22 VAL 19 2HG2 VAL 19 -4.743 1.894 -21.866 154 HG23 VAL 19 3HG2 VAL 19 -4.009 0.602 -20.916 155 H ALA 20 H ALA 20 -5.252 0.786 -25.590 156 HA ALA 20 HA ALA 20 -3.043 2.207 -26.772 157 HB1 ALA 20 1HB ALA 20 -6.011 2.467 -27.242 158 HB2 ALA 20 2HB ALA 20 -4.746 3.214 -28.218 159 HB3 ALA 20 3HB ALA 20 -4.895 1.458 -28.161 160 H VAL 21 H VAL 21 -2.909 4.530 -26.911 161 HA VAL 21 HA VAL 21 -3.004 5.827 -24.449 162 HB VAL 21 HB VAL 21 -2.512 7.880 -25.625 163 HG11 VAL 21 1HG1 VAL 21 -0.900 6.424 -27.433 164 HG12 VAL 21 2HG1 VAL 21 -0.455 7.081 -25.857 165 HG13 VAL 21 3HG1 VAL 21 -1.086 5.439 -25.983 166 HG21 VAL 21 1HG2 VAL 21 -3.724 6.427 -27.915 167 HG22 VAL 21 2HG2 VAL 21 -3.882 8.117 -27.437 168 HG23 VAL 21 3HG2 VAL 21 -2.421 7.565 -28.253 169 H GLY 22 H GLY 22 -5.428 5.496 -26.923 170 HA2 GLY 22 2HA GLY 22 -7.703 5.822 -25.709 171 HA3 GLY 22 3HA GLY 22 -7.137 7.481 -25.593 172 H VAL 23 H VAL 23 -9.319 7.617 -26.777 173 HA VAL 23 HA VAL 23 -9.429 6.871 -29.519 174 HB VAL 23 HB VAL 23 -11.034 9.001 -28.101 175 HG11 VAL 23 1HG1 VAL 23 -12.700 8.153 -29.952 176 HG12 VAL 23 2HG1 VAL 23 -11.493 9.388 -30.314 177 HG13 VAL 23 3HG1 VAL 23 -11.207 7.710 -30.779 178 HG21 VAL 23 1HG2 VAL 23 -11.753 6.109 -28.558 179 HG22 VAL 23 2HG2 VAL 23 -11.143 6.753 -27.033 180 HG23 VAL 23 3HG2 VAL 23 -12.687 7.315 -27.672 181 H GLY 24 H GLY 24 -8.136 9.599 -27.810 182 HA2 GLY 24 2HA GLY 24 -8.150 11.559 -29.788 183 HA3 GLY 24 3HA GLY 24 -6.936 11.419 -28.525 184 H GLY 25 H GLY 25 -5.573 9.190 -29.092 185 HA2 GLY 25 2HA GLY 25 -4.081 9.975 -31.426 186 HA3 GLY 25 3HA GLY 25 -3.702 8.645 -30.342 187 H LYS 26 H LYS 26 -3.525 8.587 -33.187 188 HA LYS 26 HA LYS 26 -5.680 7.455 -34.510 189 HB2 LYS 26 2HB LYS 26 -3.020 7.968 -35.102 190 HB3 LYS 26 3HB LYS 26 -3.142 6.220 -35.249 191 HG2 LYS 26 2HG LYS 26 -5.167 7.968 -36.572 192 HG3 LYS 26 3HG LYS 26 -3.584 7.724 -37.312 193 HD2 LYS 26 2HD LYS 26 -4.109 5.657 -37.980 194 HD3 LYS 26 3HD LYS 26 -4.786 5.236 -36.405 195 HE2 LYS 26 2HE LYS 26 -6.850 6.468 -37.023 196 HE3 LYS 26 3HE LYS 26 -6.169 6.734 -38.627 197 HZ1 LYS 26 1HZ LYS 26 -5.936 4.182 -38.638 198 HZ2 LYS 26 2HZ LYS 26 -7.456 4.865 -38.924 199 HZ3 LYS 26 3HZ LYS 26 -7.091 4.221 -37.403 200 H SER 27 H SER 27 -2.930 5.620 -33.161 201 HA SER 27 HA SER 27 -4.510 3.728 -31.807 202 HB2 SER 27 2HB SER 27 -3.913 1.773 -33.392 203 HB3 SER 27 3HB SER 27 -5.264 2.816 -33.836 204 HG SER 27 HG SER 27 -2.771 2.530 -35.019 205 H LYS 28 H LYS 28 -2.669 4.644 -30.511 206 HA LYS 28 HA LYS 28 -0.311 2.903 -30.801 207 HB2 LYS 28 2HB LYS 28 -0.401 5.747 -30.880 208 HB3 LYS 28 3HB LYS 28 0.396 5.277 -29.385 209 HG2 LYS 28 2HG LYS 28 1.817 3.734 -30.856 210 HG3 LYS 28 3HG LYS 28 1.205 4.691 -32.207 211 HD2 LYS 28 2HD LYS 28 2.623 5.824 -29.797 212 HD3 LYS 28 3HD LYS 28 3.390 5.488 -31.351 213 HE2 LYS 28 2HE LYS 28 1.101 7.007 -31.921 214 HE3 LYS 28 3HE LYS 28 1.858 7.775 -30.527 215 HZ1 LYS 28 1HZ LYS 28 3.991 7.632 -31.855 216 HZ2 LYS 28 2HZ LYS 28 2.844 8.754 -32.391 217 HZ3 LYS 28 3HZ LYS 28 3.026 7.279 -33.200 218 H LYS 29 H LYS 29 0.816 2.439 -28.790 219 HA LYS 29 HA LYS 29 -1.062 2.000 -26.630 220 HB2 LYS 29 2HB LYS 29 1.749 1.102 -27.196 221 HB3 LYS 29 3HB LYS 29 1.043 0.885 -25.600 222 HG2 LYS 29 2HG LYS 29 0.721 -1.141 -26.761 223 HG3 LYS 29 3HG LYS 29 -0.850 -0.335 -26.724 224 HD2 LYS 29 2HD LYS 29 -0.927 -0.162 -28.955 225 HD3 LYS 29 3HD LYS 29 0.750 0.378 -29.055 226 HE2 LYS 29 2HE LYS 29 0.281 -2.471 -28.391 227 HE3 LYS 29 3HE LYS 29 -0.084 -1.962 -30.038 228 HZ1 LYS 29 1HZ LYS 29 2.494 -1.267 -28.787 229 HZ2 LYS 29 2HZ LYS 29 2.108 -1.375 -30.429 230 HZ3 LYS 29 3HZ LYS 29 2.268 -2.783 -29.504 231 H PHE 30 H PHE 30 -0.938 2.840 -24.574 232 HA PHE 30 HA PHE 30 -0.098 5.445 -24.222 233 HB2 PHE 30 2HB PHE 30 -1.457 3.593 -22.696 234 HB3 PHE 30 3HB PHE 30 0.000 3.879 -21.750 235 HD1 PHE 30 HD1 PHE 30 -3.266 4.894 -22.195 236 HD2 PHE 30 HD2 PHE 30 0.637 6.498 -21.636 237 HE1 PHE 30 HE1 PHE 30 -4.249 6.973 -21.320 238 HE2 PHE 30 HE2 PHE 30 -0.341 8.579 -20.760 239 HZ PHE 30 HZ PHE 30 -2.787 8.818 -20.599 240 H GLY 31 H GLY 31 1.687 6.444 -23.331 241 HA2 GLY 31 2HA GLY 31 4.101 4.755 -23.196 242 HA3 GLY 31 3HA GLY 31 4.089 6.458 -23.626 243 H GLU 32 H GLU 32 5.847 5.613 -21.744 244 HA GLU 32 HA GLU 32 4.855 5.763 -19.088 245 HB2 GLU 32 2HB GLU 32 7.242 6.040 -18.459 246 HB3 GLU 32 3HB GLU 32 6.960 4.666 -19.520 247 HG2 GLU 32 2HG GLU 32 7.522 6.570 -21.340 248 HG3 GLU 32 3HG GLU 32 8.491 7.131 -19.979 249 H GLY 33 H GLY 33 6.329 8.125 -21.279 250 HA2 GLY 33 2HA GLY 33 6.546 10.260 -19.481 251 HA3 GLY 33 3HA GLY 33 6.381 10.418 -21.224 252 H ASN 34 H ASN 34 3.875 9.428 -21.681 253 HA ASN 34 HA ASN 34 2.239 11.614 -21.013 254 HB2 ASN 34 2HB ASN 34 1.437 8.871 -22.010 255 HB3 ASN 34 3HB ASN 34 0.408 10.301 -22.018 256 HD21 ASN 34 1HD2 ASN 34 3.170 8.744 -23.442 257 HD22 ASN 34 2HD2 ASN 34 3.281 9.766 -24.830 258 H PHE 35 H PHE 35 2.341 8.297 -19.753 259 HA PHE 35 HA PHE 35 0.183 8.528 -17.976 260 HB2 PHE 35 2HB PHE 35 2.348 6.639 -18.471 261 HB3 PHE 35 3HB PHE 35 1.929 6.743 -16.765 262 HD1 PHE 35 HD1 PHE 35 1.374 4.852 -19.506 263 HD2 PHE 35 HD2 PHE 35 -0.843 6.981 -16.561 264 HE1 PHE 35 HE1 PHE 35 -0.557 3.377 -19.897 265 HE2 PHE 35 HE2 PHE 35 -2.776 5.510 -16.947 266 HZ PHE 35 HZ PHE 35 -2.635 3.704 -18.616 267 H ARG 36 H ARG 36 3.677 8.851 -17.356 268 HA ARG 36 HA ARG 36 3.552 9.489 -14.662 269 HB2 ARG 36 2HB ARG 36 5.591 9.090 -16.245 270 HB3 ARG 36 3HB ARG 36 5.541 10.834 -16.455 271 HG2 ARG 36 2HG ARG 36 5.400 10.492 -13.714 272 HG3 ARG 36 3HG ARG 36 6.548 9.261 -14.247 273 HD2 ARG 36 2HD ARG 36 7.985 10.848 -15.191 274 HD3 ARG 36 3HD ARG 36 6.741 12.098 -15.203 275 HE ARG 36 HE ARG 36 7.177 11.407 -12.551 276 HH11 ARG 36 1HH1 ARG 36 8.962 12.806 -15.192 277 HH12 ARG 36 2HH1 ARG 36 9.990 13.753 -14.167 278 HH21 ARG 36 1HH2 ARG 36 8.523 12.649 -11.192 279 HH22 ARG 36 2HH2 ARG 36 9.739 13.662 -11.892 280 H TRP 37 H TRP 37 3.037 11.518 -17.476 281 HA TRP 37 HA TRP 37 3.107 14.015 -16.163 282 HB2 TRP 37 2HB TRP 37 3.285 14.029 -18.529 283 HB3 TRP 37 3HB TRP 37 1.810 13.086 -18.721 284 HD1 TRP 37 HD1 TRP 37 3.033 16.648 -18.125 285 HE1 TRP 37 HE1 TRP 37 1.060 18.268 -18.451 286 HE3 TRP 37 HE3 TRP 37 -0.758 13.240 -18.536 287 HZ2 TRP 37 HZ2 TRP 37 -1.734 18.122 -18.831 288 HZ3 TRP 37 HZ3 TRP 37 -3.051 14.063 -18.878 289 HH2 TRP 37 HH2 TRP 37 -3.526 16.453 -19.022 290 H ALA 38 H ALA 38 0.390 11.887 -17.025 291 HA ALA 38 HA ALA 38 -1.600 13.533 -15.850 292 HB1 ALA 38 1HB ALA 38 -2.724 12.158 -17.209 293 HB2 ALA 38 2HB ALA 38 -1.477 10.912 -17.130 294 HB3 ALA 38 3HB ALA 38 -2.694 11.024 -15.858 295 H ILE 39 H ILE 39 0.212 10.717 -14.702 296 HA ILE 39 HA ILE 39 -1.159 10.422 -12.251 297 HB ILE 39 HB ILE 39 1.652 9.616 -13.003 298 HG12 ILE 39 2HG1 ILE 39 -0.168 8.577 -14.334 299 HG13 ILE 39 3HG1 ILE 39 0.701 7.407 -13.348 300 HG21 ILE 39 1HG2 ILE 39 1.681 9.643 -10.671 301 HG22 ILE 39 2HG2 ILE 39 0.013 9.085 -10.550 302 HG23 ILE 39 3HG2 ILE 39 1.281 7.972 -11.066 303 HD11 ILE 39 1HD1 ILE 39 -1.179 6.774 -12.380 304 HD12 ILE 39 2HD1 ILE 39 -1.529 8.429 -11.882 305 HD13 ILE 39 3HD1 ILE 39 -2.058 7.853 -13.463 306 H ARG 40 H ARG 40 1.984 11.941 -12.981 307 HA ARG 40 HA ARG 40 2.492 12.893 -10.397 308 HB2 ARG 40 2HB ARG 40 3.402 13.877 -13.101 309 HB3 ARG 40 3HB ARG 40 3.991 14.553 -11.588 310 HG2 ARG 40 2HG ARG 40 4.211 11.639 -12.288 311 HG3 ARG 40 3HG ARG 40 5.464 12.828 -12.650 312 HD2 ARG 40 2HD ARG 40 6.083 13.039 -10.477 313 HD3 ARG 40 3HD ARG 40 4.449 12.766 -9.873 314 HE ARG 40 HE ARG 40 5.206 10.346 -10.863 315 HH11 ARG 40 1HH1 ARG 40 6.556 12.572 -8.552 316 HH12 ARG 40 2HH1 ARG 40 7.319 11.335 -7.609 317 HH21 ARG 40 1HH2 ARG 40 6.206 8.707 -9.629 318 HH22 ARG 40 2HH2 ARG 40 7.119 9.137 -8.223 319 H MET 41 H MET 41 0.889 14.443 -13.156 320 HA MET 41 HA MET 41 0.466 16.939 -11.906 321 HB2 MET 41 2HB MET 41 0.320 16.479 -14.371 322 HB3 MET 41 3HB MET 41 -1.223 15.691 -14.076 323 HG2 MET 41 2HG MET 41 -2.316 17.641 -13.730 324 HG3 MET 41 3HG MET 41 -0.906 18.437 -13.035 325 HE1 MET 41 1HE MET 41 -1.247 20.403 -13.856 326 HE2 MET 41 2HE MET 41 -0.165 20.860 -15.172 327 HE3 MET 41 3HE MET 41 -1.907 20.800 -15.443 328 H ALA 42 H ALA 42 -1.838 14.280 -12.509 329 HA ALA 42 HA ALA 42 -4.003 15.285 -11.125 330 HB1 ALA 42 1HB ALA 42 -3.899 13.201 -12.551 331 HB2 ALA 42 2HB ALA 42 -3.273 12.367 -11.129 332 HB3 ALA 42 3HB ALA 42 -4.881 13.092 -11.090 333 H ASN 43 H ASN 43 -1.090 13.822 -9.885 334 HA ASN 43 HA ASN 43 -2.031 13.284 -7.264 335 HB2 ASN 43 2HB ASN 43 0.706 13.594 -8.473 336 HB3 ASN 43 3HB ASN 43 0.502 13.374 -6.738 337 HD21 ASN 43 1HD2 ASN 43 1.934 11.521 -7.871 338 HD22 ASN 43 2HD2 ASN 43 1.057 10.049 -8.098 339 H VAL 44 H VAL 44 0.162 15.857 -8.413 340 HA VAL 44 HA VAL 44 0.085 17.360 -6.040 341 HB VAL 44 HB VAL 44 0.600 18.406 -8.827 342 HG11 VAL 44 1HG1 VAL 44 1.536 19.429 -6.148 343 HG12 VAL 44 2HG1 VAL 44 1.873 20.144 -7.726 344 HG13 VAL 44 3HG1 VAL 44 0.224 20.127 -7.099 345 HG21 VAL 44 1HG2 VAL 44 2.256 16.799 -6.956 346 HG22 VAL 44 2HG2 VAL 44 2.199 16.779 -8.718 347 HG23 VAL 44 3HG2 VAL 44 3.050 18.075 -7.878 348 H SER 45 H SER 45 -2.005 17.301 -8.844 349 HA SER 45 HA SER 45 -3.346 19.741 -8.416 350 HB2 SER 45 2HB SER 45 -4.165 17.195 -9.819 351 HB3 SER 45 3HB SER 45 -5.193 18.627 -9.776 352 HG SER 45 HG SER 45 -3.752 18.417 -11.642 353 H THR 46 H THR 46 -3.641 16.614 -6.939 354 HA THR 46 HA THR 46 -6.150 17.343 -5.628 355 HB THR 46 HB THR 46 -5.818 14.976 -4.600 356 HG1 THR 46 HG1 THR 46 -4.332 14.467 -6.927 357 HG21 THR 46 1HG2 THR 46 -7.182 14.125 -6.236 358 HG22 THR 46 2HG2 THR 46 -6.231 14.826 -7.546 359 HG23 THR 46 3HG2 THR 46 -7.317 15.844 -6.601 360 H GLY 47 H GLY 47 -3.493 18.602 -5.035 361 HA2 GLY 47 2HA GLY 47 -2.495 19.462 -3.149 362 HA3 GLY 47 3HA GLY 47 -3.782 18.720 -2.209 363 H ARG 48 H ARG 48 -2.012 16.622 -4.261 364 HA ARG 48 HA ARG 48 -0.784 15.393 -1.907 365 HB2 ARG 48 2HB ARG 48 -2.184 14.262 -3.928 366 HB3 ARG 48 3HB ARG 48 -0.547 14.078 -4.545 367 HG2 ARG 48 2HG ARG 48 0.011 12.537 -2.997 368 HG3 ARG 48 3HG ARG 48 -0.965 13.293 -1.736 369 HD2 ARG 48 2HD ARG 48 -2.995 12.452 -2.998 370 HD3 ARG 48 3HD ARG 48 -1.878 11.487 -3.961 371 HE ARG 48 HE ARG 48 -1.639 10.054 -2.190 372 HH11 ARG 48 1HH1 ARG 48 -3.133 13.000 -1.090 373 HH12 ARG 48 2HH1 ARG 48 -3.491 12.383 0.488 374 HH21 ARG 48 1HH2 ARG 48 -2.106 9.229 -0.114 375 HH22 ARG 48 2HH2 ARG 48 -2.906 10.239 1.042 376 H GLU 49 H GLU 49 1.052 16.571 -1.525 377 HA GLU 49 HA GLU 49 2.806 17.658 -3.357 378 HB2 GLU 49 2HB GLU 49 2.784 17.150 -0.548 379 HB3 GLU 49 3HB GLU 49 4.352 16.672 -1.183 380 HG2 GLU 49 2HG GLU 49 4.878 18.810 -1.872 381 HG3 GLU 49 3HG GLU 49 3.191 19.318 -1.926 382 HA PRO 50 HA PRO 50 5.448 13.620 -3.282 383 HB2 PRO 50 2HB PRO 50 4.378 11.444 -2.061 384 HB3 PRO 50 3HB PRO 50 5.367 12.635 -1.207 385 HG2 PRO 50 2HG PRO 50 2.387 12.369 -1.305 386 HG3 PRO 50 3HG PRO 50 3.435 12.715 0.083 387 HD2 PRO 50 2HD PRO 50 2.058 14.647 -1.221 388 HD3 PRO 50 3HD PRO 50 3.636 14.944 -0.465 389 H GLY 51 H GLY 51 1.988 12.730 -3.178 390 HA2 GLY 51 2HA GLY 51 0.620 11.962 -4.876 391 HA3 GLY 51 3HA GLY 51 1.947 12.206 -6.001 392 H ASP 52 H ASP 52 3.815 10.579 -5.640 393 HA ASP 52 HA ASP 52 4.549 8.429 -5.756 394 HB2 ASP 52 2HB ASP 52 3.010 8.562 -3.419 395 HB3 ASP 52 3HB ASP 52 2.468 7.101 -4.241 396 H ILE 53 H ILE 53 3.347 6.000 -5.942 397 HA ILE 53 HA ILE 53 1.602 6.329 -8.293 398 HB ILE 53 HB ILE 53 3.478 4.052 -7.648 399 HG12 ILE 53 2HG1 ILE 53 4.607 6.143 -8.354 400 HG13 ILE 53 3HG1 ILE 53 4.796 4.847 -9.530 401 HG21 ILE 53 1HG2 ILE 53 2.676 3.958 -10.330 402 HG22 ILE 53 2HG2 ILE 53 2.245 2.839 -9.038 403 HG23 ILE 53 3HG2 ILE 53 1.205 4.218 -9.393 404 HD11 ILE 53 1HD1 ILE 53 4.366 6.961 -10.627 405 HD12 ILE 53 2HD1 ILE 53 3.029 5.841 -10.895 406 HD13 ILE 53 3HD1 ILE 53 2.865 7.147 -9.719 407 HA PRO 54 HA PRO 54 -0.998 4.283 -5.060 408 HB2 PRO 54 2HB PRO 54 -3.251 5.664 -5.685 409 HB3 PRO 54 3HB PRO 54 -2.027 6.276 -4.565 410 HG2 PRO 54 2HG PRO 54 -2.445 6.930 -7.457 411 HG3 PRO 54 3HG PRO 54 -2.074 8.017 -6.106 412 HD2 PRO 54 2HD PRO 54 -0.187 7.170 -7.853 413 HD3 PRO 54 3HD PRO 54 0.174 7.510 -6.149 414 H GLU 55 H GLU 55 -1.419 2.282 -5.792 415 HA GLU 55 HA GLU 55 -3.001 2.016 -8.264 416 HB2 GLU 55 2HB GLU 55 -0.569 1.006 -7.983 417 HB3 GLU 55 3HB GLU 55 -1.442 -0.276 -7.154 418 HG2 GLU 55 2HG GLU 55 -2.910 0.075 -9.447 419 HG3 GLU 55 3HG GLU 55 -1.252 0.323 -9.992 420 H THR 56 H THR 56 -4.622 2.549 -6.348 421 HA THR 56 HA THR 56 -5.875 -0.004 -5.693 422 HB THR 56 HB THR 56 -6.197 0.447 -3.392 423 HG1 THR 56 HG1 THR 56 -6.104 2.416 -2.567 424 HG21 THR 56 1HG2 THR 56 -3.979 -0.423 -3.876 425 HG22 THR 56 2HG2 THR 56 -3.904 0.696 -2.514 426 HG23 THR 56 3HG2 THR 56 -3.366 1.214 -4.111 427 H LEU 57 H LEU 57 -8.048 0.044 -5.866 428 HA LEU 57 HA LEU 57 -9.374 2.066 -7.190 429 HB2 LEU 57 2HB LEU 57 -10.249 -0.222 -5.500 430 HB3 LEU 57 3HB LEU 57 -11.450 0.980 -5.970 431 HG LEU 57 HG LEU 57 -11.471 -0.956 -7.459 432 HD11 LEU 57 1HD1 LEU 57 -12.215 0.613 -8.852 433 HD12 LEU 57 2HD1 LEU 57 -10.594 0.620 -9.546 434 HD13 LEU 57 3HD1 LEU 57 -11.021 1.787 -8.296 435 HD21 LEU 57 1HD2 LEU 57 -9.598 -1.462 -8.901 436 HD22 LEU 57 2HD2 LEU 57 -9.090 -1.558 -7.215 437 HD23 LEU 57 3HD2 LEU 57 -8.656 -0.153 -8.188 438 H ASP 58 H ASP 58 -8.775 1.701 -3.771 439 HA ASP 58 HA ASP 58 -10.660 3.619 -2.863 440 HB2 ASP 58 2HB ASP 58 -8.908 1.822 -1.668 441 HB3 ASP 58 3HB ASP 58 -8.280 3.398 -1.199 442 H GLN 59 H GLN 59 -7.180 3.811 -3.561 443 HA GLN 59 HA GLN 59 -6.875 6.528 -2.892 444 HB2 GLN 59 2HB GLN 59 -5.302 4.494 -4.351 445 HB3 GLN 59 3HB GLN 59 -4.936 6.169 -4.742 446 HG2 GLN 59 2HG GLN 59 -3.697 6.329 -2.924 447 HG3 GLN 59 3HG GLN 59 -5.101 5.960 -1.925 448 HE21 GLN 59 1HE2 GLN 59 -3.155 4.054 -4.199 449 HE22 GLN 59 2HE2 GLN 59 -2.785 2.786 -3.085 450 H LEU 60 H LEU 60 -7.238 4.986 -6.087 451 HA LEU 60 HA LEU 60 -7.338 7.346 -7.583 452 HB2 LEU 60 2HB LEU 60 -8.347 4.565 -8.033 453 HB3 LEU 60 3HB LEU 60 -8.706 5.842 -9.193 454 HG LEU 60 HG LEU 60 -6.810 4.552 -9.945 455 HD11 LEU 60 1HD1 LEU 60 -6.830 7.338 -9.571 456 HD12 LEU 60 2HD1 LEU 60 -5.936 6.411 -10.776 457 HD13 LEU 60 3HD1 LEU 60 -5.187 6.795 -9.226 458 HD21 LEU 60 1HD2 LEU 60 -5.421 5.365 -7.396 459 HD22 LEU 60 2HD2 LEU 60 -4.773 4.354 -8.688 460 HD23 LEU 60 3HD2 LEU 60 -6.108 3.769 -7.695 461 H ARG 61 H ARG 61 -9.771 5.715 -5.702 462 HA ARG 61 HA ARG 61 -12.053 6.943 -6.826 463 HB2 ARG 61 2HB ARG 61 -12.350 4.992 -5.477 464 HB3 ARG 61 3HB ARG 61 -11.535 5.740 -4.109 465 HG2 ARG 61 2HG ARG 61 -13.850 7.253 -5.008 466 HG3 ARG 61 3HG ARG 61 -14.247 5.609 -4.501 467 HD2 ARG 61 2HD ARG 61 -13.272 5.957 -2.353 468 HD3 ARG 61 3HD ARG 61 -12.580 7.500 -2.854 469 HE ARG 61 HE ARG 61 -14.603 8.501 -2.457 470 HH11 ARG 61 1HH1 ARG 61 -15.024 5.046 -2.531 471 HH12 ARG 61 2HH1 ARG 61 -16.662 5.102 -1.971 472 HH21 ARG 61 1HH2 ARG 61 -16.759 8.588 -1.718 473 HH22 ARG 61 2HH2 ARG 61 -17.648 7.118 -1.509 474 H LEU 62 H LEU 62 -10.155 7.741 -3.919 475 HA LEU 62 HA LEU 62 -11.616 10.099 -3.324 476 HB2 LEU 62 2HB LEU 62 -9.481 8.607 -2.184 477 HB3 LEU 62 3HB LEU 62 -8.973 10.290 -2.303 478 HG LEU 62 HG LEU 62 -9.905 9.912 -0.128 479 HD11 LEU 62 1HD1 LEU 62 -10.888 11.819 -1.956 480 HD12 LEU 62 2HD1 LEU 62 -10.806 11.934 -0.199 481 HD13 LEU 62 3HD1 LEU 62 -12.254 11.291 -0.973 482 HD21 LEU 62 1HD2 LEU 62 -11.279 7.927 -0.850 483 HD22 LEU 62 2HD2 LEU 62 -12.485 9.074 -1.434 484 HD23 LEU 62 3HD2 LEU 62 -12.067 9.028 0.279 485 H VAL 63 H VAL 63 -8.801 9.416 -5.288 486 HA VAL 63 HA VAL 63 -7.998 12.134 -5.627 487 HB VAL 63 HB VAL 63 -7.372 9.713 -7.323 488 HG11 VAL 63 1HG1 VAL 63 -6.191 12.484 -7.279 489 HG12 VAL 63 2HG1 VAL 63 -5.415 11.099 -8.052 490 HG13 VAL 63 3HG1 VAL 63 -6.981 11.669 -8.629 491 HG21 VAL 63 1HG2 VAL 63 -6.588 10.321 -4.714 492 HG22 VAL 63 2HG2 VAL 63 -5.877 9.115 -5.787 493 HG23 VAL 63 3HG2 VAL 63 -5.206 10.745 -5.725 494 H ILE 64 H ILE 64 -9.361 9.842 -8.002 495 HA ILE 64 HA ILE 64 -9.950 11.655 -9.994 496 HB ILE 64 HB ILE 64 -11.528 9.185 -9.267 497 HG12 ILE 64 2HG1 ILE 64 -9.464 9.405 -11.440 498 HG13 ILE 64 3HG1 ILE 64 -8.987 9.051 -9.783 499 HG21 ILE 64 1HG2 ILE 64 -12.257 9.211 -11.611 500 HG22 ILE 64 2HG2 ILE 64 -12.799 10.641 -10.735 501 HG23 ILE 64 3HG2 ILE 64 -11.431 10.752 -11.841 502 HD11 ILE 64 1HD1 ILE 64 -9.281 7.065 -11.277 503 HD12 ILE 64 2HD1 ILE 64 -10.209 7.024 -9.778 504 HD13 ILE 64 3HD1 ILE 64 -11.007 7.425 -11.298 505 H CYS 65 H CYS 65 -11.806 10.859 -7.116 506 HA CYS 65 HA CYS 65 -14.189 12.188 -7.827 507 HB2 CYS 65 2HB CYS 65 -14.163 10.593 -6.006 508 HB3 CYS 65 3HB CYS 65 -13.010 11.575 -5.111 509 HG CYS 65 HG CYS 65 -15.218 13.711 -5.392 510 H ASP 66 H ASP 66 -11.548 13.249 -5.675 511 HA ASP 66 HA ASP 66 -12.497 15.862 -5.305 512 HB2 ASP 66 2HB ASP 66 -9.879 14.489 -4.925 513 HB3 ASP 66 3HB ASP 66 -9.896 16.250 -4.904 514 H LEU 67 H LEU 67 -9.969 14.658 -7.510 515 HA LEU 67 HA LEU 67 -9.368 17.062 -8.763 516 HB2 LEU 67 2HB LEU 67 -8.141 14.896 -8.989 517 HB3 LEU 67 3HB LEU 67 -9.411 14.356 -10.084 518 HG LEU 67 HG LEU 67 -8.809 16.084 -11.678 519 HD11 LEU 67 1HD1 LEU 67 -8.081 17.916 -10.466 520 HD12 LEU 67 2HD1 LEU 67 -6.585 17.302 -11.169 521 HD13 LEU 67 3HD1 LEU 67 -6.973 16.957 -9.484 522 HD21 LEU 67 1HD2 LEU 67 -6.414 14.525 -10.711 523 HD22 LEU 67 2HD2 LEU 67 -6.590 15.263 -12.303 524 HD23 LEU 67 3HD2 LEU 67 -7.657 13.943 -11.819 525 H GLN 68 H GLN 68 -12.049 14.878 -9.250 526 HA GLN 68 HA GLN 68 -12.922 15.882 -11.744 527 HB2 GLN 68 2HB GLN 68 -14.026 14.152 -9.621 528 HB3 GLN 68 3HB GLN 68 -15.217 14.982 -10.612 529 HG2 GLN 68 2HG GLN 68 -13.193 13.860 -12.290 530 HG3 GLN 68 3HG GLN 68 -13.816 12.624 -11.199 531 HE21 GLN 68 1HE2 GLN 68 -15.429 15.405 -12.669 532 HE22 GLN 68 2HE2 GLN 68 -16.627 14.489 -13.511 533 H GLU 69 H GLU 69 -14.144 16.509 -8.451 534 HA GLU 69 HA GLU 69 -15.982 18.489 -9.149 535 HB2 GLU 69 2HB GLU 69 -15.048 17.308 -6.775 536 HB3 GLU 69 3HB GLU 69 -14.799 19.036 -6.575 537 HG2 GLU 69 2HG GLU 69 -16.914 18.963 -5.823 538 HG3 GLU 69 3HG GLU 69 -17.294 19.065 -7.541 539 H ARG 70 H ARG 70 -12.534 18.622 -8.770 540 HA ARG 70 HA ARG 70 -12.266 21.419 -8.429 541 HB2 ARG 70 2HB ARG 70 -10.420 19.229 -9.323 542 HB3 ARG 70 3HB ARG 70 -9.914 20.911 -9.422 543 HG2 ARG 70 2HG ARG 70 -10.578 21.042 -6.944 544 HG3 ARG 70 3HG ARG 70 -10.544 19.278 -6.995 545 HD2 ARG 70 2HD ARG 70 -8.307 19.215 -7.028 546 HD3 ARG 70 3HD ARG 70 -8.203 20.512 -8.219 547 HE ARG 70 HE ARG 70 -7.872 22.005 -6.515 548 HH11 ARG 70 1HH1 ARG 70 -9.072 19.014 -5.200 549 HH12 ARG 70 2HH1 ARG 70 -8.820 19.485 -3.552 550 HH21 ARG 70 1HH2 ARG 70 -7.534 22.638 -4.350 551 HH22 ARG 70 2HH2 ARG 70 -7.945 21.547 -3.069 552 H ARG 71 H ARG 71 -11.658 19.419 -11.325 553 HA ARG 71 HA ARG 71 -11.411 21.585 -13.097 554 HB2 ARG 71 2HB ARG 71 -11.436 19.988 -14.844 555 HB3 ARG 71 3HB ARG 71 -10.681 19.184 -13.475 556 HG2 ARG 71 2HG ARG 71 -12.122 17.527 -13.745 557 HG3 ARG 71 3HG ARG 71 -13.406 18.630 -13.242 558 HD2 ARG 71 2HD ARG 71 -13.124 19.353 -15.827 559 HD3 ARG 71 3HD ARG 71 -12.686 17.648 -15.926 560 HE ARG 71 HE ARG 71 -15.295 18.746 -15.389 561 HH11 ARG 71 1HH1 ARG 71 -13.223 15.963 -15.102 562 HH12 ARG 71 2HH1 ARG 71 -14.534 14.836 -14.986 563 HH21 ARG 71 1HH2 ARG 71 -17.029 17.272 -15.237 564 HH22 ARG 71 2HH2 ARG 71 -16.699 15.581 -15.064 565 H GLU 72 H GLU 72 -14.165 20.126 -11.673 566 HA GLU 72 HA GLU 72 -16.079 20.767 -13.673 567 HB2 GLU 72 2HB GLU 72 -16.092 19.352 -11.287 568 HB3 GLU 72 3HB GLU 72 -17.119 20.739 -10.949 569 HG2 GLU 72 2HG GLU 72 -17.657 19.446 -13.516 570 HG3 GLU 72 3HG GLU 72 -17.941 18.424 -12.108 571 H LYS 73 H LYS 73 -15.559 22.252 -10.468 572 HA LYS 73 HA LYS 73 -17.130 24.532 -11.012 573 HB2 LYS 73 2HB LYS 73 -15.166 23.755 -8.907 574 HB3 LYS 73 3HB LYS 73 -15.607 25.453 -9.040 575 HG2 LYS 73 2HG LYS 73 -18.030 24.645 -8.941 576 HG3 LYS 73 3HG LYS 73 -17.357 23.109 -8.387 577 HD2 LYS 73 2HD LYS 73 -16.519 25.651 -7.058 578 HD3 LYS 73 3HD LYS 73 -18.082 24.935 -6.659 579 HE2 LYS 73 2HE LYS 73 -16.865 22.786 -6.201 580 HE3 LYS 73 3HE LYS 73 -15.357 23.684 -6.374 581 HZ1 LYS 73 1HZ LYS 73 -17.163 24.975 -4.584 582 HZ2 LYS 73 2HZ LYS 73 -15.561 24.497 -4.333 583 HZ3 LYS 73 3HZ LYS 73 -16.820 23.397 -4.082 584 H PHE 74 H PHE 74 -13.901 23.698 -11.842 585 HA PHE 74 HA PHE 74 -13.064 26.436 -12.298 586 HB2 PHE 74 2HB PHE 74 -11.579 24.436 -11.547 587 HB3 PHE 74 3HB PHE 74 -11.564 24.018 -13.257 588 HD1 PHE 74 HD1 PHE 74 -10.843 26.813 -10.918 589 HD2 PHE 74 HD2 PHE 74 -10.030 25.007 -14.686 590 HE1 PHE 74 HE1 PHE 74 -9.013 28.416 -11.289 591 HE2 PHE 74 HE2 PHE 74 -8.199 26.607 -15.061 592 HZ PHE 74 HZ PHE 74 -7.687 28.313 -13.361 593 H GLY 75 H GLY 75 -14.546 23.868 -14.048 594 HA2 GLY 75 2HA GLY 75 -15.692 24.337 -16.103 595 HA3 GLY 75 3HA GLY 75 -14.453 25.527 -16.477 596 H SER 76 H SER 76 -15.165 23.720 -18.380 597 HA SER 76 HA SER 76 -13.868 21.292 -18.501 598 HB2 SER 76 2HB SER 76 -13.962 21.504 -20.936 599 HB3 SER 76 3HB SER 76 -15.453 22.109 -20.214 600 HG SER 76 HG SER 76 -14.801 24.179 -20.599 601 H SER 77 H SER 77 -11.909 20.645 -19.617 602 HA SER 77 HA SER 77 -9.856 22.415 -20.345 603 HB2 SER 77 2HB SER 77 -9.187 23.104 -18.299 604 HB3 SER 77 3HB SER 77 -10.063 21.812 -17.477 605 HG SER 77 HG SER 77 -7.623 21.836 -17.470 606 H LYS 78 H LYS 78 -8.959 21.196 -21.859 607 HA LYS 78 HA LYS 78 -9.085 18.447 -22.097 608 HB2 LYS 78 2HB LYS 78 -8.345 20.218 -23.816 609 HB3 LYS 78 3HB LYS 78 -6.739 20.030 -23.123 610 HG2 LYS 78 2HG LYS 78 -6.735 17.676 -23.703 611 HG3 LYS 78 3HG LYS 78 -8.376 17.813 -24.339 612 HD2 LYS 78 2HD LYS 78 -7.518 19.504 -25.968 613 HD3 LYS 78 3HD LYS 78 -5.885 19.145 -25.399 614 HE2 LYS 78 2HE LYS 78 -5.777 17.397 -26.761 615 HE3 LYS 78 3HE LYS 78 -7.200 16.691 -25.997 616 HZ1 LYS 78 1HZ LYS 78 -7.501 17.001 -28.384 617 HZ2 LYS 78 2HZ LYS 78 -7.250 18.664 -28.216 618 HZ3 LYS 78 3HZ LYS 78 -8.600 17.938 -27.503 619 H GLU 79 H GLU 79 -6.902 20.390 -20.217 620 HA GLU 79 HA GLU 79 -4.824 18.545 -19.838 621 HB2 GLU 79 2HB GLU 79 -5.828 20.637 -17.901 622 HB3 GLU 79 3HB GLU 79 -4.255 19.853 -17.850 623 HG2 GLU 79 2HG GLU 79 -3.844 20.819 -20.147 624 HG3 GLU 79 3HG GLU 79 -5.290 21.794 -19.891 625 H ILE 80 H ILE 80 -7.604 19.251 -17.718 626 HA ILE 80 HA ILE 80 -7.095 17.129 -15.925 627 HB ILE 80 HB ILE 80 -9.702 18.549 -16.482 628 HG12 ILE 80 2HG1 ILE 80 -7.865 20.049 -15.778 629 HG13 ILE 80 3HG1 ILE 80 -9.133 19.940 -14.563 630 HG21 ILE 80 1HG2 ILE 80 -9.132 16.275 -14.880 631 HG22 ILE 80 2HG2 ILE 80 -9.489 17.629 -13.808 632 HG23 ILE 80 3HG2 ILE 80 -10.652 17.153 -15.044 633 HD11 ILE 80 1HD1 ILE 80 -7.676 19.276 -13.041 634 HD12 ILE 80 2HD1 ILE 80 -7.127 17.954 -14.073 635 HD13 ILE 80 3HD1 ILE 80 -6.390 19.549 -14.217 636 H ASP 81 H ASP 81 -9.092 17.395 -18.818 637 HA ASP 81 HA ASP 81 -10.566 15.068 -18.655 638 HB2 ASP 81 2HB ASP 81 -10.561 16.930 -20.461 639 HB3 ASP 81 3HB ASP 81 -9.344 15.937 -21.259 640 H MET 82 H MET 82 -7.272 15.495 -19.902 641 HA MET 82 HA MET 82 -6.928 12.760 -20.613 642 HB2 MET 82 2HB MET 82 -5.622 14.871 -21.404 643 HB3 MET 82 3HB MET 82 -4.642 14.593 -19.970 644 HG2 MET 82 2HG MET 82 -3.442 13.450 -21.537 645 HG3 MET 82 3HG MET 82 -4.477 12.165 -20.917 646 HE1 MET 82 1HE MET 82 -2.879 12.051 -23.610 647 HE2 MET 82 2HE MET 82 -3.953 10.710 -23.210 648 HE3 MET 82 3HE MET 82 -4.042 11.468 -24.801 649 H ALA 83 H ALA 83 -6.051 14.698 -17.786 650 HA ALA 83 HA ALA 83 -4.528 12.784 -16.431 651 HB1 ALA 83 1HB ALA 83 -5.363 15.368 -15.935 652 HB2 ALA 83 2HB ALA 83 -6.124 14.429 -14.649 653 HB3 ALA 83 3HB ALA 83 -4.375 14.367 -14.870 654 H ILE 84 H ILE 84 -8.012 13.472 -16.250 655 HA ILE 84 HA ILE 84 -8.643 11.557 -14.301 656 HB ILE 84 HB ILE 84 -10.368 12.648 -16.527 657 HG12 ILE 84 2HG1 ILE 84 -9.438 14.308 -14.900 658 HG13 ILE 84 3HG1 ILE 84 -11.195 14.205 -14.883 659 HG21 ILE 84 1HG2 ILE 84 -11.122 11.094 -14.056 660 HG22 ILE 84 2HG2 ILE 84 -12.265 11.925 -15.108 661 HG23 ILE 84 3HG2 ILE 84 -11.311 10.579 -15.732 662 HD11 ILE 84 1HD1 ILE 84 -10.201 14.374 -12.638 663 HD12 ILE 84 2HD1 ILE 84 -11.141 12.899 -12.866 664 HD13 ILE 84 3HD1 ILE 84 -9.380 12.838 -12.912 665 H VAL 85 H VAL 85 -8.951 11.350 -17.848 666 HA VAL 85 HA VAL 85 -9.815 8.713 -18.006 667 HB VAL 85 HB VAL 85 -8.060 10.194 -19.970 668 HG11 VAL 85 1HG1 VAL 85 -7.924 7.942 -20.588 669 HG12 VAL 85 2HG1 VAL 85 -9.609 7.631 -20.167 670 HG13 VAL 85 3HG1 VAL 85 -9.218 8.590 -21.595 671 HG21 VAL 85 1HG2 VAL 85 -10.857 9.887 -20.659 672 HG22 VAL 85 2HG2 VAL 85 -10.645 10.778 -19.151 673 HG23 VAL 85 3HG2 VAL 85 -9.858 11.339 -20.627 674 H THR 86 H THR 86 -6.651 9.994 -17.382 675 HA THR 86 HA THR 86 -5.201 7.608 -18.000 676 HB THR 86 HB THR 86 -4.415 10.004 -16.332 677 HG1 THR 86 HG1 THR 86 -4.306 10.812 -18.294 678 HG21 THR 86 1HG2 THR 86 -3.147 7.448 -16.635 679 HG22 THR 86 2HG2 THR 86 -2.626 8.842 -15.687 680 HG23 THR 86 3HG2 THR 86 -2.151 8.698 -17.381 681 H LEU 87 H LEU 87 -5.934 9.202 -14.890 682 HA LEU 87 HA LEU 87 -5.014 7.235 -13.193 683 HB2 LEU 87 2HB LEU 87 -7.232 9.232 -12.950 684 HB3 LEU 87 3HB LEU 87 -6.903 8.090 -11.649 685 HG LEU 87 HG LEU 87 -4.919 10.088 -12.735 686 HD11 LEU 87 1HD1 LEU 87 -6.434 11.435 -11.640 687 HD12 LEU 87 2HD1 LEU 87 -5.315 11.024 -10.342 688 HD13 LEU 87 3HD1 LEU 87 -6.862 10.189 -10.469 689 HD21 LEU 87 1HD2 LEU 87 -4.468 8.990 -10.087 690 HD22 LEU 87 2HD2 LEU 87 -3.370 9.116 -11.461 691 HD23 LEU 87 3HD2 LEU 87 -4.473 7.745 -11.336 692 H LYS 88 H LYS 88 -7.977 7.339 -15.033 693 HA LYS 88 HA LYS 88 -9.285 5.207 -13.664 694 HB2 LYS 88 2HB LYS 88 -9.733 6.742 -16.173 695 HB3 LYS 88 3HB LYS 88 -10.518 5.174 -16.035 696 HG2 LYS 88 2HG LYS 88 -12.119 6.070 -14.806 697 HG3 LYS 88 3HG LYS 88 -10.930 6.585 -13.606 698 HD2 LYS 88 2HD LYS 88 -10.758 8.705 -14.490 699 HD3 LYS 88 3HD LYS 88 -11.265 8.189 -16.100 700 HE2 LYS 88 2HE LYS 88 -13.470 7.633 -14.563 701 HE3 LYS 88 3HE LYS 88 -12.856 9.116 -13.833 702 HZ1 LYS 88 1HZ LYS 88 -12.737 9.502 -16.564 703 HZ2 LYS 88 2HZ LYS 88 -13.826 10.209 -15.480 704 HZ3 LYS 88 3HZ LYS 88 -14.240 8.778 -16.281 705 H VAL 89 H VAL 89 -7.836 5.336 -16.926 706 HA VAL 89 HA VAL 89 -7.930 2.591 -17.425 707 HB VAL 89 HB VAL 89 -7.492 4.301 -19.160 708 HG11 VAL 89 1HG1 VAL 89 -5.957 5.743 -18.015 709 HG12 VAL 89 2HG1 VAL 89 -4.781 4.438 -17.847 710 HG13 VAL 89 3HG1 VAL 89 -5.148 5.095 -19.442 711 HG21 VAL 89 1HG2 VAL 89 -5.380 2.153 -18.965 712 HG22 VAL 89 2HG2 VAL 89 -7.014 1.942 -19.595 713 HG23 VAL 89 3HG2 VAL 89 -5.872 2.988 -20.438 714 H PHE 90 H PHE 90 -5.688 4.490 -15.566 715 HA PHE 90 HA PHE 90 -3.556 2.621 -15.504 716 HB2 PHE 90 2HB PHE 90 -3.691 5.169 -14.791 717 HB3 PHE 90 3HB PHE 90 -4.036 4.473 -13.211 718 HD1 PHE 90 HD1 PHE 90 -1.535 5.949 -14.819 719 HD2 PHE 90 HD2 PHE 90 -2.345 2.181 -13.014 720 HE1 PHE 90 HE1 PHE 90 0.874 5.614 -14.448 721 HE2 PHE 90 HE2 PHE 90 0.063 1.839 -12.638 722 HZ PHE 90 HZ PHE 90 1.676 3.557 -13.355 723 H ALA 91 H ALA 91 -6.058 3.403 -13.087 724 HA ALA 91 HA ALA 91 -5.413 1.449 -11.220 725 HB1 ALA 91 1HB ALA 91 -7.523 3.304 -11.634 726 HB2 ALA 91 2HB ALA 91 -8.235 1.737 -11.243 727 HB3 ALA 91 3HB ALA 91 -7.063 2.471 -10.149 728 H VAL 92 H VAL 92 -7.523 1.248 -14.056 729 HA VAL 92 HA VAL 92 -8.394 -1.416 -13.546 730 HB VAL 92 HB VAL 92 -8.360 0.030 -16.196 731 HG11 VAL 92 1HG1 VAL 92 -10.099 -1.481 -16.848 732 HG12 VAL 92 2HG1 VAL 92 -8.746 -2.434 -16.238 733 HG13 VAL 92 3HG1 VAL 92 -10.171 -2.177 -15.230 734 HG21 VAL 92 1HG2 VAL 92 -10.936 0.086 -15.112 735 HG22 VAL 92 2HG2 VAL 92 -9.860 0.562 -13.796 736 HG23 VAL 92 3HG2 VAL 92 -9.835 1.448 -15.321 737 H ALA 93 H ALA 93 -5.994 -0.028 -15.776 738 HA ALA 93 HA ALA 93 -5.142 -2.392 -16.972 739 HB1 ALA 93 1HB ALA 93 -3.817 0.247 -16.487 740 HB2 ALA 93 2HB ALA 93 -2.925 -1.082 -17.225 741 HB3 ALA 93 3HB ALA 93 -4.381 -0.459 -18.002 742 H GLY 94 H GLY 94 -4.568 -1.181 -13.790 743 HA2 GLY 94 2HA GLY 94 -2.360 -3.066 -13.361 744 HA3 GLY 94 3HA GLY 94 -2.841 -1.778 -12.268 745 H LEU 95 H LEU 95 -5.103 -2.059 -11.328 746 HA LEU 95 HA LEU 95 -5.180 -4.425 -9.836 747 HB2 LEU 95 2HB LEU 95 -7.184 -2.257 -10.352 748 HB3 LEU 95 3HB LEU 95 -7.593 -3.658 -9.364 749 HG LEU 95 HG LEU 95 -6.995 -1.828 -7.929 750 HD11 LEU 95 1HD1 LEU 95 -6.028 -4.299 -7.675 751 HD12 LEU 95 2HD1 LEU 95 -5.685 -3.017 -6.515 752 HD13 LEU 95 3HD1 LEU 95 -4.504 -3.416 -7.762 753 HD21 LEU 95 1HD2 LEU 95 -5.160 -0.480 -8.151 754 HD22 LEU 95 2HD2 LEU 95 -5.475 -0.852 -9.846 755 HD23 LEU 95 3HD2 LEU 95 -4.210 -1.718 -8.973 756 H LEU 96 H LEU 96 -7.188 -3.404 -12.591 757 HA LEU 96 HA LEU 96 -8.526 -5.951 -12.717 758 HB2 LEU 96 2HB LEU 96 -8.797 -3.332 -13.933 759 HB3 LEU 96 3HB LEU 96 -9.001 -4.629 -15.109 760 HG LEU 96 HG LEU 96 -11.129 -3.825 -14.123 761 HD11 LEU 96 1HD1 LEU 96 -11.383 -6.430 -13.090 762 HD12 LEU 96 2HD1 LEU 96 -10.207 -6.515 -14.400 763 HD13 LEU 96 3HD1 LEU 96 -11.812 -5.851 -14.700 764 HD21 LEU 96 1HD2 LEU 96 -10.214 -3.346 -11.868 765 HD22 LEU 96 2HD2 LEU 96 -10.108 -5.083 -11.580 766 HD23 LEU 96 3HD2 LEU 96 -11.682 -4.326 -11.837 767 H ASN 97 H ASN 97 -5.503 -5.013 -13.552 768 HA ASN 97 HA ASN 97 -3.884 -5.802 -14.944 769 HB2 ASN 97 2HB ASN 97 -5.049 -7.954 -13.829 770 HB3 ASN 97 3HB ASN 97 -5.384 -8.298 -15.525 771 HD21 ASN 97 1HD2 ASN 97 -4.014 -9.942 -15.873 772 HD22 ASN 97 2HD2 ASN 97 -2.297 -9.836 -15.718 773 H MET 98 H MET 98 -5.671 -4.122 -16.202 774 HA MET 98 HA MET 98 -6.260 -3.405 -18.277 775 HB2 MET 98 2HB MET 98 -3.965 -4.337 -18.811 776 HB3 MET 98 3HB MET 98 -4.776 -5.797 -19.361 777 HG2 MET 98 2HG MET 98 -5.858 -3.359 -20.532 778 HG3 MET 98 3HG MET 98 -4.158 -3.630 -20.905 779 HE1 MET 98 1HE MET 98 -4.402 -7.309 -21.256 780 HE2 MET 98 2HE MET 98 -3.856 -6.684 -22.812 781 HE3 MET 98 3HE MET 98 -3.313 -5.923 -21.317 782 H THR 99 H THR 99 -8.386 -3.591 -18.578 783 HA THR 99 HA THR 99 -9.423 -6.176 -19.533 784 HB THR 99 HB THR 99 -11.606 -5.520 -18.365 785 HG1 THR 99 HG1 THR 99 -11.463 -3.594 -17.477 786 HG21 THR 99 1HG2 THR 99 -9.853 -7.271 -17.643 787 HG22 THR 99 2HG2 THR 99 -11.037 -6.733 -16.451 788 HG23 THR 99 3HG2 THR 99 -9.396 -6.089 -16.416 789 H VAL 100 H VAL 100 -8.584 -3.585 -20.830 790 HA VAL 100 HA VAL 100 -11.006 -3.263 -22.444 791 HB VAL 100 HB VAL 100 -10.711 -0.823 -22.544 792 HG11 VAL 100 1HG1 VAL 100 -12.039 -0.472 -20.751 793 HG12 VAL 100 2HG1 VAL 100 -12.000 -2.234 -20.650 794 HG13 VAL 100 3HG1 VAL 100 -10.928 -1.267 -19.637 795 HG21 VAL 100 1HG2 VAL 100 -8.210 -1.295 -21.542 796 HG22 VAL 100 2HG2 VAL 100 -8.989 0.285 -21.632 797 HG23 VAL 100 3HG2 VAL 100 -9.060 -0.650 -20.138 798 H SER 101 H SER 101 -10.291 -1.541 -24.302 799 HA SER 101 HA SER 101 -7.823 -2.674 -25.444 800 HB2 SER 101 2HB SER 101 -10.492 -2.128 -26.575 801 HB3 SER 101 3HB SER 101 -9.140 -1.636 -27.595 802 HG SER 101 HG SER 101 -9.901 -3.863 -27.851 803 H THR 102 H THR 102 -9.521 0.221 -24.609 804 HA THR 102 HA THR 102 -7.162 1.791 -25.362 805 HB THR 102 HB THR 102 -8.411 3.536 -26.388 806 HG1 THR 102 HG1 THR 102 -10.647 3.578 -26.399 807 HG21 THR 102 1HG2 THR 102 -8.912 2.526 -28.375 808 HG22 THR 102 2HG2 THR 102 -9.851 1.244 -27.611 809 HG23 THR 102 3HG2 THR 102 -8.088 1.181 -27.586 810 H ALA 103 H ALA 103 -6.982 3.822 -24.227 811 HA ALA 103 HA ALA 103 -7.473 3.653 -21.499 812 HB1 ALA 103 1HB ALA 103 -6.290 5.555 -21.356 813 HB2 ALA 103 2HB ALA 103 -6.009 5.303 -23.080 814 HB3 ALA 103 3HB ALA 103 -7.291 6.388 -22.546 815 H ALA 104 H ALA 104 -9.367 5.192 -24.044 816 HA ALA 104 HA ALA 104 -11.196 6.547 -22.384 817 HB1 ALA 104 1HB ALA 104 -10.757 6.684 -24.967 818 HB2 ALA 104 2HB ALA 104 -12.054 5.490 -25.034 819 HB3 ALA 104 3HB ALA 104 -12.345 7.066 -24.300 820 H ALA 105 H ALA 105 -11.401 3.369 -23.976 821 HA ALA 105 HA ALA 105 -13.939 2.634 -23.144 822 HB1 ALA 105 1HB ALA 105 -12.808 1.309 -24.766 823 HB2 ALA 105 2HB ALA 105 -11.497 0.943 -23.643 824 HB3 ALA 105 3HB ALA 105 -13.108 0.279 -23.366 825 H ALA 106 H ALA 106 -10.843 2.258 -21.461 826 HA ALA 106 HA ALA 106 -11.870 0.831 -19.244 827 HB1 ALA 106 1HB ALA 106 -9.356 1.641 -20.127 828 HB2 ALA 106 2HB ALA 106 -9.570 2.436 -18.568 829 HB3 ALA 106 3HB ALA 106 -9.723 0.683 -18.692 830 H GLU 107 H GLU 107 -11.530 4.255 -19.955 831 HA GLU 107 HA GLU 107 -12.009 5.240 -17.361 832 HB2 GLU 107 2HB GLU 107 -11.085 6.711 -19.005 833 HB3 GLU 107 3HB GLU 107 -12.448 6.457 -20.087 834 HG2 GLU 107 2HG GLU 107 -13.365 7.450 -17.556 835 HG3 GLU 107 3HG GLU 107 -12.108 8.499 -18.210 836 H ASN 108 H ASN 108 -14.226 4.845 -20.123 837 HA ASN 108 HA ASN 108 -16.556 5.663 -18.815 838 HB2 ASN 108 2HB ASN 108 -15.884 4.674 -21.354 839 HB3 ASN 108 3HB ASN 108 -17.100 3.564 -20.730 840 HD21 ASN 108 1HD2 ASN 108 -16.587 6.431 -22.320 841 HD22 ASN 108 2HD2 ASN 108 -18.164 7.119 -22.155 842 H MET 109 H MET 109 -15.020 2.493 -19.027 843 HA MET 109 HA MET 109 -17.120 1.067 -17.748 844 HB2 MET 109 2HB MET 109 -15.414 -0.010 -19.181 845 HB3 MET 109 3HB MET 109 -14.191 0.347 -17.967 846 HG2 MET 109 2HG MET 109 -16.080 -0.966 -16.501 847 HG3 MET 109 3HG MET 109 -16.188 -1.778 -18.061 848 HE1 MET 109 1HE MET 109 -12.742 -1.913 -15.065 849 HE2 MET 109 2HE MET 109 -13.355 -0.356 -15.621 850 HE3 MET 109 3HE MET 109 -14.422 -1.469 -14.765 851 H TYR 110 H TYR 110 -14.062 2.452 -16.600 852 HA TYR 110 HA TYR 110 -14.095 1.546 -13.987 853 HB2 TYR 110 2HB TYR 110 -12.164 2.692 -14.819 854 HB3 TYR 110 3HB TYR 110 -13.092 4.155 -15.133 855 HD1 TYR 110 HD1 TYR 110 -13.787 5.607 -13.280 856 HD2 TYR 110 HD2 TYR 110 -11.366 2.173 -12.608 857 HE1 TYR 110 HE1 TYR 110 -13.202 6.464 -11.050 858 HE2 TYR 110 HE2 TYR 110 -10.776 3.019 -10.375 859 HH TYR 110 HH TYR 110 -12.223 5.979 -9.089 860 H SER 111 H SER 111 -15.709 4.367 -15.385 861 HA SER 111 HA SER 111 -16.836 5.150 -12.841 862 HB2 SER 111 2HB SER 111 -17.911 6.949 -14.101 863 HB3 SER 111 3HB SER 111 -16.203 6.844 -14.529 864 HG SER 111 HG SER 111 -18.435 5.935 -16.017 865 H GLN 112 H GLN 112 -17.857 3.452 -15.734 866 HA GLN 112 HA GLN 112 -20.628 3.448 -15.245 867 HB2 GLN 112 2HB GLN 112 -19.742 2.856 -17.421 868 HB3 GLN 112 3HB GLN 112 -18.899 1.472 -16.739 869 HG2 GLN 112 2HG GLN 112 -20.993 0.389 -16.239 870 HG3 GLN 112 3HG GLN 112 -21.889 1.804 -16.790 871 HE21 GLN 112 1HE2 GLN 112 -20.974 -1.202 -17.637 872 HE22 GLN 112 2HE2 GLN 112 -21.001 -1.055 -19.357 873 H MET 113 H MET 113 -18.022 1.589 -13.911 874 HA MET 113 HA MET 113 -19.726 -0.469 -12.823 875 HB2 MET 113 2HB MET 113 -16.869 0.026 -13.057 876 HB3 MET 113 3HB MET 113 -17.302 -0.578 -11.463 877 HG2 MET 113 2HG MET 113 -18.507 -1.999 -13.741 878 HG3 MET 113 3HG MET 113 -16.759 -2.147 -13.573 879 HE1 MET 113 1HE MET 113 -16.133 -3.974 -10.395 880 HE2 MET 113 2HE MET 113 -15.899 -4.405 -12.089 881 HE3 MET 113 3HE MET 113 -15.578 -2.757 -11.544 882 H GLY 114 H GLY 114 -18.633 2.651 -11.878 883 HA2 GLY 114 2HA GLY 114 -19.805 3.780 -10.093 884 HA3 GLY 114 3HA GLY 114 -19.884 2.245 -9.240 885 H LEU 115 H LEU 115 -16.940 3.172 -10.816 886 HA LEU 115 HA LEU 115 -15.642 3.355 -8.206 887 HB2 LEU 115 2HB LEU 115 -14.248 3.399 -10.859 888 HB3 LEU 115 3HB LEU 115 -13.618 2.899 -9.291 889 HG LEU 115 HG LEU 115 -15.646 1.383 -10.932 890 HD11 LEU 115 1HD1 LEU 115 -13.728 0.976 -12.096 891 HD12 LEU 115 2HD1 LEU 115 -13.582 -0.260 -10.846 892 HD13 LEU 115 3HD1 LEU 115 -12.687 1.253 -10.700 893 HD21 LEU 115 1HD2 LEU 115 -14.787 1.196 -8.161 894 HD22 LEU 115 2HD2 LEU 115 -14.549 -0.308 -9.051 895 HD23 LEU 115 3HD2 LEU 115 -16.150 0.433 -8.979 896 H ASP 116 H ASP 116 -16.517 5.310 -10.924 897 HA ASP 116 HA ASP 116 -14.803 7.513 -10.086 898 HB2 ASP 116 2HB ASP 116 -15.224 6.881 -12.525 899 HB3 ASP 116 3HB ASP 116 -16.835 7.563 -12.314 900 H THR 117 H THR 117 -15.527 9.439 -9.248 901 HA THR 117 HA THR 117 -17.690 9.440 -7.528 902 HB THR 117 HB THR 117 -15.806 11.073 -7.456 903 HG1 THR 117 HG1 THR 117 -18.161 12.602 -7.559 904 HG21 THR 117 1HG2 THR 117 -15.896 11.610 -9.910 905 HG22 THR 117 2HG2 THR 117 -15.803 13.016 -8.850 906 HG23 THR 117 3HG2 THR 117 -17.341 12.564 -9.582 907 H ARG 118 H ARG 118 -19.787 10.180 -7.611 908 HA ARG 118 HA ARG 118 -20.928 11.587 -9.768 909 HB2 ARG 118 2HB ARG 118 -20.515 9.421 -10.922 910 HB3 ARG 118 3HB ARG 118 -21.555 8.631 -9.744 911 HG2 ARG 118 2HG ARG 118 -23.424 10.069 -10.489 912 HG3 ARG 118 3HG ARG 118 -22.367 10.736 -11.734 913 HD2 ARG 118 2HD ARG 118 -22.071 8.049 -12.118 914 HD3 ARG 118 3HD ARG 118 -23.758 8.161 -11.618 915 HE ARG 118 HE ARG 118 -23.336 10.116 -13.547 916 HH11 ARG 118 1HH1 ARG 118 -23.274 6.644 -13.307 917 HH12 ARG 118 2HH1 ARG 118 -23.727 6.390 -14.960 918 HH21 ARG 118 1HH2 ARG 118 -23.932 9.796 -15.726 919 HH22 ARG 118 2HH2 ARG 118 -24.100 8.184 -16.335 920 HA PRO 119 HA PRO 119 -23.304 11.298 -5.776 921 HB2 PRO 119 2HB PRO 119 -23.451 13.981 -5.390 922 HB3 PRO 119 3HB PRO 119 -22.092 13.003 -4.826 923 HG2 PRO 119 2HG PRO 119 -22.313 14.703 -7.280 924 HG3 PRO 119 3HG PRO 119 -20.960 14.548 -6.144 925 HD2 PRO 119 2HD PRO 119 -21.008 13.278 -8.534 926 HD3 PRO 119 3HD PRO 119 -20.215 12.589 -7.102 Start of MODEL 10 1 H1 GLY 2 H GLY 2 4.650 4.693 1.968 2 HA2 GLY 2 2HA GLY 2 2.853 2.708 0.724 3 HA3 GLY 2 3HA GLY 2 2.708 4.448 0.520 4 H ASN 3 H ASN 3 5.817 2.882 0.437 5 HA ASN 3 HA ASN 3 6.551 3.996 -2.017 6 HB2 ASN 3 2HB ASN 3 7.685 2.073 -0.123 7 HB3 ASN 3 3HB ASN 3 8.160 1.764 -1.790 8 HD21 ASN 3 1HD2 ASN 3 9.413 2.973 0.768 9 HD22 ASN 3 2HD2 ASN 3 10.236 4.368 0.168 10 H LEU 4 H LEU 4 5.795 3.567 -3.973 11 HA LEU 4 HA LEU 4 4.090 1.517 -4.678 12 HB2 LEU 4 2HB LEU 4 4.782 2.004 -7.034 13 HB3 LEU 4 3HB LEU 4 4.267 3.403 -6.093 14 HG LEU 4 HG LEU 4 7.167 2.905 -6.103 15 HD11 LEU 4 1HD1 LEU 4 7.079 4.208 -8.422 16 HD12 LEU 4 2HD1 LEU 4 5.619 3.237 -8.604 17 HD13 LEU 4 3HD1 LEU 4 7.171 2.450 -8.324 18 HD21 LEU 4 1HD2 LEU 4 6.164 5.485 -6.984 19 HD22 LEU 4 2HD2 LEU 4 7.205 5.081 -5.619 20 HD23 LEU 4 3HD2 LEU 4 5.452 4.970 -5.455 21 H LYS 5 H LYS 5 4.495 -0.583 -4.413 22 HA LYS 5 HA LYS 5 6.942 -1.851 -4.307 23 HB2 LYS 5 2HB LYS 5 4.165 -2.647 -4.516 24 HB3 LYS 5 3HB LYS 5 5.203 -3.741 -5.421 25 HG2 LYS 5 2HG LYS 5 5.123 -4.710 -3.324 26 HG3 LYS 5 3HG LYS 5 6.635 -3.800 -3.279 27 HD2 LYS 5 2HD LYS 5 5.878 -2.387 -1.699 28 HD3 LYS 5 3HD LYS 5 4.265 -2.297 -2.411 29 HE2 LYS 5 2HE LYS 5 3.574 -4.278 -1.345 30 HE3 LYS 5 3HE LYS 5 5.228 -4.733 -0.939 31 HZ1 LYS 5 1HZ LYS 5 3.631 -2.533 0.246 32 HZ2 LYS 5 2HZ LYS 5 5.287 -2.737 0.522 33 HZ3 LYS 5 3HZ LYS 5 4.193 -3.927 1.022 34 H SER 6 H SER 6 8.369 -2.658 -5.747 35 HA SER 6 HA SER 6 8.524 -1.674 -8.334 36 HB2 SER 6 2HB SER 6 10.116 -3.280 -6.683 37 HB3 SER 6 3HB SER 6 9.836 -4.251 -8.128 38 HG SER 6 HG SER 6 11.474 -2.172 -7.818 39 H ARG 7 H ARG 7 6.826 -4.441 -7.110 40 HA ARG 7 HA ARG 7 6.463 -5.717 -9.654 41 HB2 ARG 7 2HB ARG 7 5.250 -6.104 -6.928 42 HB3 ARG 7 3HB ARG 7 4.660 -6.988 -8.328 43 HG2 ARG 7 2HG ARG 7 6.460 -8.338 -8.405 44 HG3 ARG 7 3HG ARG 7 7.572 -7.061 -7.904 45 HD2 ARG 7 2HD ARG 7 6.573 -7.263 -5.597 46 HD3 ARG 7 3HD ARG 7 5.748 -8.713 -6.170 47 HE ARG 7 HE ARG 7 7.724 -9.850 -6.009 48 HH11 ARG 7 1HH1 ARG 7 8.381 -6.432 -5.975 49 HH12 ARG 7 2HH1 ARG 7 10.065 -6.627 -5.616 50 HH21 ARG 7 1HH2 ARG 7 9.940 -10.120 -5.536 51 HH22 ARG 7 2HH2 ARG 7 10.950 -8.725 -5.367 52 H ASP 8 H ASP 8 4.045 -4.327 -7.429 53 HA ASP 8 HA ASP 8 1.978 -4.143 -9.275 54 HB2 ASP 8 2HB ASP 8 2.592 -2.739 -6.705 55 HB3 ASP 8 3HB ASP 8 1.238 -2.181 -7.685 56 H TRP 9 H TRP 9 4.750 -2.120 -8.830 57 HA TRP 9 HA TRP 9 3.724 0.166 -10.204 58 HB2 TRP 9 2HB TRP 9 5.537 0.495 -8.667 59 HB3 TRP 9 3HB TRP 9 6.533 -0.695 -9.500 60 HD1 TRP 9 HD1 TRP 9 8.467 0.606 -10.561 61 HE1 TRP 9 HE1 TRP 9 8.688 2.724 -12.006 62 HE3 TRP 9 HE3 TRP 9 3.588 2.134 -10.515 63 HZ2 TRP 9 HZ2 TRP 9 7.017 4.771 -12.996 64 HZ3 TRP 9 HZ3 TRP 9 2.983 4.182 -11.736 65 HH2 TRP 9 HH2 TRP 9 4.663 5.473 -12.950 66 H LYS 10 H LYS 10 6.331 -2.081 -11.150 67 HA LYS 10 HA LYS 10 6.363 -1.322 -13.850 68 HB2 LYS 10 2HB LYS 10 7.268 -3.854 -12.478 69 HB3 LYS 10 3HB LYS 10 7.548 -3.534 -14.185 70 HG2 LYS 10 2HG LYS 10 8.472 -1.658 -12.032 71 HG3 LYS 10 3HG LYS 10 9.446 -3.020 -12.587 72 HD2 LYS 10 2HD LYS 10 9.294 -2.125 -14.895 73 HD3 LYS 10 3HD LYS 10 8.436 -0.721 -14.258 74 HE2 LYS 10 2HE LYS 10 10.318 0.047 -13.102 75 HE3 LYS 10 3HE LYS 10 11.125 -1.517 -13.195 76 HZ1 LYS 10 1HZ LYS 10 10.553 -0.412 -15.774 77 HZ2 LYS 10 2HZ LYS 10 12.011 -1.005 -15.155 78 HZ3 LYS 10 3HZ LYS 10 11.552 0.596 -14.852 79 H MET 11 H MET 11 4.230 -3.366 -12.096 80 HA MET 11 HA MET 11 3.285 -4.819 -14.405 81 HB2 MET 11 2HB MET 11 2.427 -4.682 -11.524 82 HB3 MET 11 3HB MET 11 1.471 -5.537 -12.726 83 HG2 MET 11 2HG MET 11 4.379 -6.134 -12.355 84 HG3 MET 11 3HG MET 11 3.154 -6.861 -11.317 85 HE1 MET 11 1HE MET 11 5.401 -7.695 -13.769 86 HE2 MET 11 2HE MET 11 4.841 -9.034 -12.767 87 HE3 MET 11 3HE MET 11 4.673 -9.115 -14.521 88 H ALA 12 H ALA 12 1.710 -2.573 -12.119 89 HA ALA 12 HA ALA 12 -0.628 -2.149 -13.520 90 HB1 ALA 12 1HB ALA 12 0.779 0.009 -11.966 91 HB2 ALA 12 2HB ALA 12 -0.955 -0.209 -12.203 92 HB3 ALA 12 3HB ALA 12 -0.053 -1.344 -11.200 93 H ILE 13 H ILE 13 2.542 -0.757 -14.045 94 HA ILE 13 HA ILE 13 1.615 1.219 -15.920 95 HB ILE 13 HB ILE 13 4.395 0.251 -15.255 96 HG12 ILE 13 2HG1 ILE 13 3.160 1.519 -13.491 97 HG13 ILE 13 3HG1 ILE 13 4.616 2.333 -14.054 98 HG21 ILE 13 1HG2 ILE 13 3.406 2.087 -17.349 99 HG22 ILE 13 2HG2 ILE 13 4.830 2.603 -16.449 100 HG23 ILE 13 3HG2 ILE 13 4.845 1.069 -17.318 101 HD11 ILE 13 1HD1 ILE 13 3.473 4.083 -14.843 102 HD12 ILE 13 2HD1 ILE 13 2.175 3.077 -15.487 103 HD13 ILE 13 3HD1 ILE 13 2.193 3.504 -13.777 104 H LYS 14 H LYS 14 3.771 -1.604 -16.274 105 HA LYS 14 HA LYS 14 3.876 -1.679 -19.030 106 HB2 LYS 14 2HB LYS 14 5.220 -3.083 -17.446 107 HB3 LYS 14 3HB LYS 14 3.806 -4.105 -17.229 108 HG2 LYS 14 2HG LYS 14 3.986 -5.040 -19.302 109 HG3 LYS 14 3HG LYS 14 4.773 -3.620 -19.995 110 HD2 LYS 14 2HD LYS 14 6.593 -4.968 -19.889 111 HD3 LYS 14 3HD LYS 14 6.660 -4.340 -18.241 112 HE2 LYS 14 2HE LYS 14 6.557 -6.439 -17.515 113 HE3 LYS 14 3HE LYS 14 4.908 -6.514 -18.137 114 HZ1 LYS 14 1HZ LYS 14 7.301 -7.120 -19.781 115 HZ2 LYS 14 2HZ LYS 14 5.682 -7.402 -20.179 116 HZ3 LYS 14 3HZ LYS 14 6.419 -8.300 -18.950 117 H ARG 15 H ARG 15 1.321 -2.719 -16.898 118 HA ARG 15 HA ARG 15 -0.111 -4.133 -18.972 119 HB2 ARG 15 2HB ARG 15 -0.676 -3.473 -16.096 120 HB3 ARG 15 3HB ARG 15 -1.942 -4.109 -17.137 121 HG2 ARG 15 2HG ARG 15 0.695 -5.501 -16.807 122 HG3 ARG 15 3HG ARG 15 -0.659 -5.771 -15.708 123 HD2 ARG 15 2HD ARG 15 -1.934 -6.806 -17.317 124 HD3 ARG 15 3HD ARG 15 -1.121 -5.978 -18.644 125 HE ARG 15 HE ARG 15 0.397 -7.685 -18.725 126 HH11 ARG 15 1HH1 ARG 15 -1.289 -7.814 -15.682 127 HH12 ARG 15 2HH1 ARG 15 -0.591 -9.328 -15.211 128 HH21 ARG 15 1HH2 ARG 15 1.323 -9.678 -18.116 129 HH22 ARG 15 2HH2 ARG 15 0.896 -10.386 -16.596 130 H CYS 16 H CYS 16 -0.348 -1.041 -17.280 131 HA CYS 16 HA CYS 16 -2.793 -0.211 -18.409 132 HB2 CYS 16 2HB CYS 16 -1.941 0.902 -16.450 133 HB3 CYS 16 3HB CYS 16 -0.474 1.377 -17.298 134 HG CYS 16 HG CYS 16 -2.050 2.986 -19.149 135 H SER 17 H SER 17 0.468 -0.205 -19.603 136 HA SER 17 HA SER 17 0.337 1.755 -21.568 137 HB2 SER 17 2HB SER 17 2.228 0.721 -22.561 138 HB3 SER 17 3HB SER 17 2.360 0.376 -20.837 139 HG SER 17 HG SER 17 1.510 -1.689 -21.247 140 H ASN 18 H ASN 18 -1.139 -1.370 -21.442 141 HA ASN 18 HA ASN 18 -1.537 -1.930 -24.133 142 HB2 ASN 18 2HB ASN 18 -2.286 -3.108 -21.788 143 HB3 ASN 18 3HB ASN 18 -3.836 -2.525 -22.387 144 HD21 ASN 18 1HD2 ASN 18 -0.924 -4.094 -23.680 145 HD22 ASN 18 2HD2 ASN 18 -1.772 -5.263 -24.629 146 H VAL 19 H VAL 19 -3.017 0.461 -22.111 147 HA VAL 19 HA VAL 19 -5.387 0.938 -23.526 148 HB VAL 19 HB VAL 19 -5.455 3.099 -22.469 149 HG11 VAL 19 1HG1 VAL 19 -4.287 2.004 -20.140 150 HG12 VAL 19 2HG1 VAL 19 -5.991 2.027 -20.600 151 HG13 VAL 19 3HG1 VAL 19 -4.969 0.666 -21.065 152 HG21 VAL 19 1HG2 VAL 19 -3.362 3.691 -21.022 153 HG22 VAL 19 2HG2 VAL 19 -2.511 2.682 -22.191 154 HG23 VAL 19 3HG2 VAL 19 -3.398 4.105 -22.737 155 H ALA 20 H ALA 20 -5.911 2.233 -25.241 156 HA ALA 20 HA ALA 20 -3.658 3.118 -26.901 157 HB1 ALA 20 1HB ALA 20 -6.530 2.580 -27.647 158 HB2 ALA 20 2HB ALA 20 -5.263 3.094 -28.763 159 HB3 ALA 20 3HB ALA 20 -5.150 1.527 -27.962 160 H VAL 21 H VAL 21 -3.650 5.170 -27.876 161 HA VAL 21 HA VAL 21 -5.048 7.202 -26.321 162 HB VAL 21 HB VAL 21 -3.553 8.808 -27.352 163 HG11 VAL 21 1HG1 VAL 21 -2.653 7.762 -25.423 164 HG12 VAL 21 2HG1 VAL 21 -2.223 6.308 -26.327 165 HG13 VAL 21 3HG1 VAL 21 -1.354 7.817 -26.616 166 HG21 VAL 21 1HG2 VAL 21 -2.996 8.364 -29.480 167 HG22 VAL 21 2HG2 VAL 21 -1.660 7.457 -28.772 168 HG23 VAL 21 3HG2 VAL 21 -3.134 6.620 -29.258 169 H GLY 22 H GLY 22 -4.986 5.843 -29.533 170 HA2 GLY 22 2HA GLY 22 -7.363 7.418 -30.196 171 HA3 GLY 22 3HA GLY 22 -5.984 7.540 -31.280 172 H VAL 23 H VAL 23 -7.867 6.748 -32.699 173 HA VAL 23 HA VAL 23 -7.880 3.799 -32.692 174 HB VAL 23 HB VAL 23 -10.018 3.911 -33.918 175 HG11 VAL 23 1HG1 VAL 23 -10.846 5.486 -31.650 176 HG12 VAL 23 2HG1 VAL 23 -11.048 3.759 -31.953 177 HG13 VAL 23 3HG1 VAL 23 -9.569 4.356 -31.198 178 HG21 VAL 23 1HG2 VAL 23 -9.779 6.082 -34.961 179 HG22 VAL 23 2HG2 VAL 23 -11.249 6.049 -33.989 180 HG23 VAL 23 3HG2 VAL 23 -9.812 6.875 -33.386 181 H GLY 24 H GLY 24 -5.844 5.443 -33.895 182 HA2 GLY 24 2HA GLY 24 -6.403 5.173 -36.769 183 HA3 GLY 24 3HA GLY 24 -5.101 6.120 -36.063 184 H GLY 25 H GLY 25 -3.181 5.107 -35.450 185 HA2 GLY 25 2HA GLY 25 -2.609 2.443 -35.221 186 HA3 GLY 25 3HA GLY 25 -2.562 2.741 -36.952 187 H LYS 26 H LYS 26 -0.287 1.966 -36.467 188 HA LYS 26 HA LYS 26 1.945 2.384 -36.323 189 HB2 LYS 26 2HB LYS 26 0.924 5.140 -37.003 190 HB3 LYS 26 3HB LYS 26 2.638 4.760 -36.896 191 HG2 LYS 26 2HG LYS 26 1.078 2.956 -38.605 192 HG3 LYS 26 3HG LYS 26 1.171 4.628 -39.164 193 HD2 LYS 26 2HD LYS 26 3.313 4.405 -39.760 194 HD3 LYS 26 3HD LYS 26 3.737 3.627 -38.233 195 HE2 LYS 26 2HE LYS 26 2.808 1.507 -39.110 196 HE3 LYS 26 3HE LYS 26 2.510 2.306 -40.652 197 HZ1 LYS 26 1HZ LYS 26 5.207 2.606 -39.711 198 HZ2 LYS 26 2HZ LYS 26 4.642 2.124 -41.229 199 HZ3 LYS 26 3HZ LYS 26 4.778 0.993 -39.980 200 H SER 27 H SER 27 1.455 1.883 -33.962 201 HA SER 27 HA SER 27 1.941 2.224 -31.767 202 HB2 SER 27 2HB SER 27 3.402 4.762 -32.335 203 HB3 SER 27 3HB SER 27 3.850 3.417 -31.285 204 HG SER 27 HG SER 27 5.152 3.065 -32.939 205 H LYS 28 H LYS 28 -0.084 2.674 -30.995 206 HA LYS 28 HA LYS 28 -0.633 5.507 -30.463 207 HB2 LYS 28 2HB LYS 28 -3.133 4.808 -30.783 208 HB3 LYS 28 3HB LYS 28 -2.156 5.236 -32.182 209 HG2 LYS 28 2HG LYS 28 -3.464 3.270 -32.660 210 HG3 LYS 28 3HG LYS 28 -1.750 2.849 -32.606 211 HD2 LYS 28 2HD LYS 28 -1.993 1.919 -30.402 212 HD3 LYS 28 3HD LYS 28 -3.663 2.483 -30.302 213 HE2 LYS 28 2HE LYS 28 -4.424 0.700 -31.406 214 HE3 LYS 28 3HE LYS 28 -3.197 0.859 -32.661 215 HZ1 LYS 28 1HZ LYS 28 -3.289 -1.186 -30.990 216 HZ2 LYS 28 2HZ LYS 28 -2.298 -0.156 -30.085 217 HZ3 LYS 28 3HZ LYS 28 -1.839 -0.611 -31.649 218 H LYS 29 H LYS 29 0.553 3.867 -28.646 219 HA LYS 29 HA LYS 29 -1.621 3.349 -26.724 220 HB2 LYS 29 2HB LYS 29 0.007 1.655 -25.712 221 HB3 LYS 29 3HB LYS 29 -0.783 1.208 -27.219 222 HG2 LYS 29 2HG LYS 29 1.173 1.585 -28.475 223 HG3 LYS 29 3HG LYS 29 1.957 2.437 -27.142 224 HD2 LYS 29 2HD LYS 29 2.972 0.384 -26.987 225 HD3 LYS 29 3HD LYS 29 1.603 0.149 -25.897 226 HE2 LYS 29 2HE LYS 29 0.850 -1.524 -27.150 227 HE3 LYS 29 3HE LYS 29 0.804 -0.480 -28.569 228 HZ1 LYS 29 1HZ LYS 29 3.285 -1.800 -27.630 229 HZ2 LYS 29 2HZ LYS 29 3.009 -1.049 -29.121 230 HZ3 LYS 29 3HZ LYS 29 2.239 -2.511 -28.754 231 H PHE 30 H PHE 30 -0.958 3.547 -24.440 232 HA PHE 30 HA PHE 30 0.210 6.021 -23.903 233 HB2 PHE 30 2HB PHE 30 -0.857 3.794 -22.360 234 HB3 PHE 30 3HB PHE 30 0.495 4.574 -21.547 235 HD1 PHE 30 HD1 PHE 30 -2.168 6.013 -23.711 236 HD2 PHE 30 HD2 PHE 30 -0.421 5.824 -19.833 237 HE1 PHE 30 HE1 PHE 30 -3.669 7.808 -22.950 238 HE2 PHE 30 HE2 PHE 30 -1.919 7.619 -19.067 239 HZ PHE 30 HZ PHE 30 -3.547 8.613 -20.626 240 H GLY 31 H GLY 31 2.045 6.024 -22.043 241 HA2 GLY 31 2HA GLY 31 4.222 4.209 -22.641 242 HA3 GLY 31 3HA GLY 31 4.476 5.860 -23.187 243 H GLU 32 H GLU 32 6.330 5.186 -21.553 244 HA GLU 32 HA GLU 32 5.799 5.275 -18.788 245 HB2 GLU 32 2HB GLU 32 8.119 5.214 -20.506 246 HB3 GLU 32 3HB GLU 32 8.367 6.345 -19.182 247 HG2 GLU 32 2HG GLU 32 8.583 4.715 -17.682 248 HG3 GLU 32 3HG GLU 32 7.205 3.820 -18.321 249 H GLY 33 H GLY 33 7.059 7.824 -20.949 250 HA2 GLY 33 2HA GLY 33 6.967 9.878 -19.016 251 HA3 GLY 33 3HA GLY 33 7.037 10.111 -20.756 252 H ASN 34 H ASN 34 4.548 8.621 -21.214 253 HA ASN 34 HA ASN 34 2.741 10.763 -21.141 254 HB2 ASN 34 2HB ASN 34 2.783 8.093 -22.149 255 HB3 ASN 34 3HB ASN 34 1.278 8.323 -21.263 256 HD21 ASN 34 1HD2 ASN 34 -0.068 10.124 -21.868 257 HD22 ASN 34 2HD2 ASN 34 -0.049 10.694 -23.499 258 H PHE 35 H PHE 35 2.742 7.762 -19.213 259 HA PHE 35 HA PHE 35 0.635 8.602 -17.509 260 HB2 PHE 35 2HB PHE 35 1.012 6.258 -17.725 261 HB3 PHE 35 3HB PHE 35 2.705 6.419 -17.271 262 HD1 PHE 35 HD1 PHE 35 -0.754 6.451 -16.034 263 HD2 PHE 35 HD2 PHE 35 3.371 6.530 -14.985 264 HE1 PHE 35 HE1 PHE 35 -1.345 6.002 -13.689 265 HE2 PHE 35 HE2 PHE 35 2.786 6.079 -12.638 266 HZ PHE 35 HZ PHE 35 0.425 5.814 -11.987 267 H ARG 36 H ARG 36 4.086 9.022 -17.465 268 HA ARG 36 HA ARG 36 4.504 9.595 -14.767 269 HB2 ARG 36 2HB ARG 36 5.978 9.794 -17.199 270 HB3 ARG 36 3HB ARG 36 6.147 11.316 -16.334 271 HG2 ARG 36 2HG ARG 36 6.911 10.106 -14.353 272 HG3 ARG 36 3HG ARG 36 6.747 8.581 -15.227 273 HD2 ARG 36 2HD ARG 36 8.502 9.106 -16.692 274 HD3 ARG 36 3HD ARG 36 8.460 10.816 -16.264 275 HE ARG 36 HE ARG 36 9.824 10.366 -14.482 276 HH11 ARG 36 1HH1 ARG 36 8.476 7.384 -15.667 277 HH12 ARG 36 2HH1 ARG 36 9.466 6.383 -14.657 278 HH21 ARG 36 1HH2 ARG 36 11.132 9.060 -13.146 279 HH22 ARG 36 2HH2 ARG 36 10.976 7.338 -13.223 280 H TRP 37 H TRP 37 3.744 11.815 -17.445 281 HA TRP 37 HA TRP 37 3.552 14.101 -15.745 282 HB2 TRP 37 2HB TRP 37 4.120 14.539 -18.001 283 HB3 TRP 37 3HB TRP 37 2.778 13.572 -18.609 284 HD1 TRP 37 HD1 TRP 37 3.661 17.062 -17.475 285 HE1 TRP 37 HE1 TRP 37 1.628 18.606 -17.802 286 HE3 TRP 37 HE3 TRP 37 0.123 13.530 -18.545 287 HZ2 TRP 37 HZ2 TRP 37 -1.113 18.359 -18.428 288 HZ3 TRP 37 HZ3 TRP 37 -2.181 14.268 -18.995 289 HH2 TRP 37 HH2 TRP 37 -2.784 16.633 -18.937 290 H ALA 38 H ALA 38 1.272 11.771 -17.055 291 HA ALA 38 HA ALA 38 -1.106 13.138 -16.420 292 HB1 ALA 38 1HB ALA 38 -2.232 11.122 -16.857 293 HB2 ALA 38 2HB ALA 38 -0.817 11.097 -17.911 294 HB3 ALA 38 3HB ALA 38 -0.827 10.146 -16.426 295 H ILE 39 H ILE 39 0.525 10.494 -14.660 296 HA ILE 39 HA ILE 39 -1.157 10.634 -12.395 297 HB ILE 39 HB ILE 39 0.267 8.670 -12.994 298 HG12 ILE 39 2HG1 ILE 39 1.229 8.711 -10.400 299 HG13 ILE 39 3HG1 ILE 39 -0.107 9.856 -10.349 300 HG21 ILE 39 1HG2 ILE 39 2.296 10.338 -13.292 301 HG22 ILE 39 2HG2 ILE 39 2.571 9.922 -11.602 302 HG23 ILE 39 3HG2 ILE 39 2.543 8.655 -12.828 303 HD11 ILE 39 1HD1 ILE 39 -1.079 7.659 -11.759 304 HD12 ILE 39 2HD1 ILE 39 -0.157 6.990 -10.412 305 HD13 ILE 39 3HD1 ILE 39 -1.466 8.132 -10.105 306 H ARG 40 H ARG 40 1.781 12.303 -13.292 307 HA ARG 40 HA ARG 40 2.477 13.300 -10.749 308 HB2 ARG 40 2HB ARG 40 4.081 13.357 -12.546 309 HB3 ARG 40 3HB ARG 40 3.022 14.365 -13.523 310 HG2 ARG 40 2HG ARG 40 3.639 16.255 -12.478 311 HG3 ARG 40 3HG ARG 40 3.737 15.475 -10.899 312 HD2 ARG 40 2HD ARG 40 5.932 16.240 -11.666 313 HD3 ARG 40 3HD ARG 40 5.876 14.485 -11.504 314 HE ARG 40 HE ARG 40 6.311 14.324 -13.734 315 HH11 ARG 40 1HH1 ARG 40 5.048 17.501 -13.077 316 HH12 ARG 40 2HH1 ARG 40 5.294 18.076 -14.693 317 HH21 ARG 40 1HH2 ARG 40 6.637 15.068 -15.866 318 HH22 ARG 40 2HH2 ARG 40 6.197 16.690 -16.278 319 H MET 41 H MET 41 0.814 14.943 -13.448 320 HA MET 41 HA MET 41 0.135 17.246 -11.984 321 HB2 MET 41 2HB MET 41 -1.016 16.014 -14.482 322 HB3 MET 41 3HB MET 41 -1.622 17.525 -13.818 323 HG2 MET 41 2HG MET 41 1.175 17.773 -13.959 324 HG3 MET 41 3HG MET 41 0.648 17.063 -15.483 325 HE1 MET 41 1HE MET 41 1.467 20.035 -13.687 326 HE2 MET 41 2HE MET 41 2.019 20.093 -15.361 327 HE3 MET 41 3HE MET 41 0.908 21.323 -14.754 328 H ALA 42 H ALA 42 -1.423 14.137 -12.329 329 HA ALA 42 HA ALA 42 -3.983 14.792 -11.400 330 HB1 ALA 42 1HB ALA 42 -4.222 12.670 -12.012 331 HB2 ALA 42 2HB ALA 42 -2.482 12.391 -11.938 332 HB3 ALA 42 3HB ALA 42 -3.466 12.209 -10.486 333 H ASN 43 H ASN 43 -1.118 13.658 -9.622 334 HA ASN 43 HA ASN 43 -2.334 13.662 -7.075 335 HB2 ASN 43 2HB ASN 43 0.607 14.108 -7.593 336 HB3 ASN 43 3HB ASN 43 -0.145 13.354 -6.189 337 HD21 ASN 43 1HD2 ASN 43 1.907 12.361 -8.034 338 HD22 ASN 43 2HD2 ASN 43 1.292 10.873 -8.660 339 H VAL 44 H VAL 44 -0.242 16.054 -8.679 340 HA VAL 44 HA VAL 44 -0.209 17.949 -6.625 341 HB VAL 44 HB VAL 44 -0.055 18.435 -9.603 342 HG11 VAL 44 1HG1 VAL 44 1.341 20.436 -8.719 343 HG12 VAL 44 2HG1 VAL 44 -0.419 20.544 -8.721 344 HG13 VAL 44 3HG1 VAL 44 0.441 20.180 -7.225 345 HG21 VAL 44 1HG2 VAL 44 1.696 17.057 -7.889 346 HG22 VAL 44 2HG2 VAL 44 1.991 17.568 -9.552 347 HG23 VAL 44 3HG2 VAL 44 2.443 18.621 -8.212 348 H SER 45 H SER 45 -2.417 17.599 -9.382 349 HA SER 45 HA SER 45 -3.938 19.892 -9.010 350 HB2 SER 45 2HB SER 45 -4.394 17.252 -10.297 351 HB3 SER 45 3HB SER 45 -5.819 18.234 -9.965 352 HG SER 45 HG SER 45 -4.494 18.489 -12.051 353 H THR 46 H THR 46 -3.889 16.938 -7.208 354 HA THR 46 HA THR 46 -6.353 17.637 -5.789 355 HB THR 46 HB THR 46 -5.634 15.368 -4.576 356 HG1 THR 46 HG1 THR 46 -4.209 14.241 -5.672 357 HG21 THR 46 1HG2 THR 46 -7.157 15.931 -7.059 358 HG22 THR 46 2HG2 THR 46 -7.698 15.234 -5.532 359 HG23 THR 46 3HG2 THR 46 -6.814 14.241 -6.691 360 H GLY 47 H GLY 47 -2.922 17.697 -5.440 361 HA2 GLY 47 2HA GLY 47 -1.762 18.918 -3.808 362 HA3 GLY 47 3HA GLY 47 -3.221 18.951 -2.828 363 H ARG 48 H ARG 48 -1.528 16.175 -4.244 364 HA ARG 48 HA ARG 48 -0.979 15.222 -1.512 365 HB2 ARG 48 2HB ARG 48 -2.907 14.066 -2.742 366 HB3 ARG 48 3HB ARG 48 -1.675 13.391 -3.798 367 HG2 ARG 48 2HG ARG 48 -0.647 12.236 -1.976 368 HG3 ARG 48 3HG ARG 48 -1.694 13.048 -0.810 369 HD2 ARG 48 2HD ARG 48 -2.744 11.286 -3.011 370 HD3 ARG 48 3HD ARG 48 -2.325 10.675 -1.412 371 HE ARG 48 HE ARG 48 -4.111 12.886 -1.256 372 HH11 ARG 48 1HH1 ARG 48 -3.951 9.471 -1.914 373 HH12 ARG 48 2HH1 ARG 48 -5.589 9.169 -1.437 374 HH21 ARG 48 1HH2 ARG 48 -6.269 12.502 -0.627 375 HH22 ARG 48 2HH2 ARG 48 -6.908 10.895 -0.706 376 H GLU 49 H GLU 49 0.923 16.642 -2.813 377 HA GLU 49 HA GLU 49 3.124 16.581 -3.386 378 HB2 GLU 49 2HB GLU 49 3.077 13.608 -2.903 379 HB3 GLU 49 3HB GLU 49 4.438 14.712 -2.755 380 HG2 GLU 49 2HG GLU 49 2.018 14.653 -0.967 381 HG3 GLU 49 3HG GLU 49 3.609 14.002 -0.578 382 HA PRO 50 HA PRO 50 3.255 15.523 -7.643 383 HB2 PRO 50 2HB PRO 50 5.933 15.428 -8.074 384 HB3 PRO 50 3HB PRO 50 5.055 16.939 -7.815 385 HG2 PRO 50 2HG PRO 50 6.671 15.331 -5.875 386 HG3 PRO 50 3HG PRO 50 6.630 17.088 -6.110 387 HD2 PRO 50 2HD PRO 50 5.293 15.855 -4.104 388 HD3 PRO 50 3HD PRO 50 4.694 17.333 -4.883 389 H GLY 51 H GLY 51 5.649 13.681 -5.736 390 HA2 GLY 51 2HA GLY 51 5.482 11.440 -7.564 391 HA3 GLY 51 3HA GLY 51 6.484 11.542 -6.124 392 H ASP 52 H ASP 52 3.111 11.175 -7.167 393 HA ASP 52 HA ASP 52 2.662 9.507 -4.779 394 HB2 ASP 52 2HB ASP 52 1.285 11.825 -5.570 395 HB3 ASP 52 3HB ASP 52 0.208 10.482 -5.946 396 H ILE 53 H ILE 53 2.902 7.477 -5.525 397 HA ILE 53 HA ILE 53 1.423 6.725 -7.960 398 HB ILE 53 HB ILE 53 3.809 5.358 -6.712 399 HG12 ILE 53 2HG1 ILE 53 4.280 7.520 -7.878 400 HG13 ILE 53 3HG1 ILE 53 5.056 6.128 -8.626 401 HG21 ILE 53 1HG2 ILE 53 2.011 4.636 -8.987 402 HG22 ILE 53 2HG2 ILE 53 3.701 4.135 -8.997 403 HG23 ILE 53 3HG2 ILE 53 2.637 3.620 -7.689 404 HD11 ILE 53 1HD1 ILE 53 3.505 6.116 -10.410 405 HD12 ILE 53 2HD1 ILE 53 2.455 7.275 -9.594 406 HD13 ILE 53 3HD1 ILE 53 4.032 7.786 -10.199 407 HA PRO 54 HA PRO 54 -0.791 4.699 -4.437 408 HB2 PRO 54 2HB PRO 54 -3.270 5.145 -5.450 409 HB3 PRO 54 3HB PRO 54 -2.411 6.328 -4.456 410 HG2 PRO 54 2HG PRO 54 -2.689 6.201 -7.434 411 HG3 PRO 54 3HG PRO 54 -2.804 7.606 -6.359 412 HD2 PRO 54 2HD PRO 54 -0.575 7.046 -7.790 413 HD3 PRO 54 3HD PRO 54 -0.516 7.829 -6.198 414 H GLU 55 H GLU 55 -1.407 2.603 -4.420 415 HA GLU 55 HA GLU 55 -2.106 1.333 -6.978 416 HB2 GLU 55 2HB GLU 55 -0.021 0.495 -4.990 417 HB3 GLU 55 3HB GLU 55 -0.826 -0.708 -5.988 418 HG2 GLU 55 2HG GLU 55 0.811 1.629 -6.940 419 HG3 GLU 55 3HG GLU 55 1.249 -0.077 -7.012 420 H THR 56 H THR 56 -4.053 2.145 -5.303 421 HA THR 56 HA THR 56 -5.150 -0.395 -4.375 422 HB THR 56 HB THR 56 -5.814 0.393 -2.231 423 HG1 THR 56 HG1 THR 56 -5.567 2.522 -1.595 424 HG21 THR 56 1HG2 THR 56 -2.957 1.228 -2.745 425 HG22 THR 56 2HG2 THR 56 -3.515 -0.386 -2.302 426 HG23 THR 56 3HG2 THR 56 -3.661 0.943 -1.154 427 H LEU 57 H LEU 57 -7.315 -0.582 -4.686 428 HA LEU 57 HA LEU 57 -8.641 1.015 -6.503 429 HB2 LEU 57 2HB LEU 57 -9.181 -1.323 -5.225 430 HB3 LEU 57 3HB LEU 57 -10.375 -0.250 -4.497 431 HG LEU 57 HG LEU 57 -10.908 0.338 -7.002 432 HD11 LEU 57 1HD1 LEU 57 -8.918 -1.504 -7.423 433 HD12 LEU 57 2HD1 LEU 57 -10.131 -1.010 -8.602 434 HD13 LEU 57 3HD1 LEU 57 -10.386 -2.460 -7.631 435 HD21 LEU 57 1HD2 LEU 57 -12.661 -0.525 -5.790 436 HD22 LEU 57 2HD2 LEU 57 -11.778 -1.985 -5.342 437 HD23 LEU 57 3HD2 LEU 57 -12.409 -1.803 -6.980 438 H ASP 58 H ASP 58 -8.349 1.388 -3.050 439 HA ASP 58 HA ASP 58 -10.446 3.309 -2.768 440 HB2 ASP 58 2HB ASP 58 -8.461 2.034 -1.050 441 HB3 ASP 58 3HB ASP 58 -8.711 3.732 -0.650 442 H GLN 59 H GLN 59 -6.891 3.584 -2.764 443 HA GLN 59 HA GLN 59 -6.774 6.373 -2.643 444 HB2 GLN 59 2HB GLN 59 -4.873 4.294 -3.695 445 HB3 GLN 59 3HB GLN 59 -4.487 6.007 -3.777 446 HG2 GLN 59 2HG GLN 59 -4.145 6.183 -1.549 447 HG3 GLN 59 3HG GLN 59 -5.357 4.965 -1.154 448 HE21 GLN 59 1HE2 GLN 59 -2.277 5.143 -2.915 449 HE22 GLN 59 2HE2 GLN 59 -1.600 3.716 -2.215 450 H LEU 60 H LEU 60 -6.926 4.192 -5.423 451 HA LEU 60 HA LEU 60 -6.624 6.204 -7.396 452 HB2 LEU 60 2HB LEU 60 -7.539 3.371 -7.363 453 HB3 LEU 60 3HB LEU 60 -7.886 4.351 -8.787 454 HG LEU 60 HG LEU 60 -5.828 2.935 -8.943 455 HD11 LEU 60 1HD1 LEU 60 -4.603 5.513 -9.224 456 HD12 LEU 60 2HD1 LEU 60 -6.279 5.574 -9.766 457 HD13 LEU 60 3HD1 LEU 60 -5.168 4.400 -10.469 458 HD21 LEU 60 1HD2 LEU 60 -3.816 3.741 -7.778 459 HD22 LEU 60 2HD2 LEU 60 -5.040 3.135 -6.661 460 HD23 LEU 60 3HD2 LEU 60 -4.814 4.874 -6.866 461 H ARG 61 H ARG 61 -9.456 4.662 -5.928 462 HA ARG 61 HA ARG 61 -11.395 5.942 -7.525 463 HB2 ARG 61 2HB ARG 61 -11.990 3.988 -6.255 464 HB3 ARG 61 3HB ARG 61 -11.555 4.777 -4.744 465 HG2 ARG 61 2HG ARG 61 -13.480 5.990 -4.658 466 HG3 ARG 61 3HG ARG 61 -13.654 6.045 -6.414 467 HD2 ARG 61 2HD ARG 61 -14.495 3.844 -6.500 468 HD3 ARG 61 3HD ARG 61 -13.982 3.501 -4.849 469 HE ARG 61 HE ARG 61 -15.883 5.633 -4.986 470 HH11 ARG 61 1HH1 ARG 61 -15.520 2.170 -4.965 471 HH12 ARG 61 2HH1 ARG 61 -17.106 1.878 -4.332 472 HH21 ARG 61 1HH2 ARG 61 -17.973 5.260 -4.152 473 HH22 ARG 61 2HH2 ARG 61 -18.501 3.635 -3.871 474 H LEU 62 H LEU 62 -9.516 7.018 -4.835 475 HA LEU 62 HA LEU 62 -11.241 9.189 -4.098 476 HB2 LEU 62 2HB LEU 62 -8.905 7.947 -3.072 477 HB3 LEU 62 3HB LEU 62 -8.560 9.663 -3.277 478 HG LEU 62 HG LEU 62 -9.350 9.060 -1.005 479 HD11 LEU 62 1HD1 LEU 62 -11.241 10.798 -0.997 480 HD12 LEU 62 2HD1 LEU 62 -10.900 10.967 -2.719 481 HD13 LEU 62 3HD1 LEU 62 -9.640 11.308 -1.533 482 HD21 LEU 62 1HD2 LEU 62 -11.405 8.152 -0.564 483 HD22 LEU 62 2HD2 LEU 62 -11.022 7.343 -2.085 484 HD23 LEU 62 3HD2 LEU 62 -12.109 8.733 -2.074 485 H VAL 63 H VAL 63 -8.005 9.073 -5.599 486 HA VAL 63 HA VAL 63 -7.748 11.740 -6.251 487 HB VAL 63 HB VAL 63 -6.297 10.962 -8.160 488 HG11 VAL 63 1HG1 VAL 63 -4.744 9.633 -6.526 489 HG12 VAL 63 2HG1 VAL 63 -5.090 11.339 -6.236 490 HG13 VAL 63 3HG1 VAL 63 -5.950 10.096 -5.326 491 HG21 VAL 63 1HG2 VAL 63 -5.796 8.534 -8.234 492 HG22 VAL 63 2HG2 VAL 63 -7.154 8.255 -7.144 493 HG23 VAL 63 3HG2 VAL 63 -7.437 8.925 -8.751 494 H ILE 64 H ILE 64 -9.437 9.192 -8.014 495 HA ILE 64 HA ILE 64 -10.007 10.746 -10.322 496 HB ILE 64 HB ILE 64 -11.341 8.271 -9.225 497 HG12 ILE 64 2HG1 ILE 64 -9.008 7.989 -9.958 498 HG13 ILE 64 3HG1 ILE 64 -10.123 7.131 -11.016 499 HG21 ILE 64 1HG2 ILE 64 -12.013 9.989 -11.533 500 HG22 ILE 64 2HG2 ILE 64 -12.031 8.247 -11.810 501 HG23 ILE 64 3HG2 ILE 64 -13.046 8.951 -10.549 502 HD11 ILE 64 1HD1 ILE 64 -9.996 9.127 -12.552 503 HD12 ILE 64 2HD1 ILE 64 -8.652 9.689 -11.556 504 HD13 ILE 64 3HD1 ILE 64 -8.532 8.152 -12.412 505 H CYS 65 H CYS 65 -12.034 9.800 -7.545 506 HA CYS 65 HA CYS 65 -14.320 11.219 -8.262 507 HB2 CYS 65 2HB CYS 65 -14.398 9.583 -6.492 508 HB3 CYS 65 3HB CYS 65 -13.250 10.503 -5.528 509 HG CYS 65 HG CYS 65 -15.651 12.562 -6.074 510 H ASP 66 H ASP 66 -11.491 12.248 -6.406 511 HA ASP 66 HA ASP 66 -12.514 14.830 -5.777 512 HB2 ASP 66 2HB ASP 66 -10.516 13.432 -4.742 513 HB3 ASP 66 3HB ASP 66 -9.574 14.328 -5.930 514 H LEU 67 H LEU 67 -9.896 13.860 -8.004 515 HA LEU 67 HA LEU 67 -9.505 16.293 -9.240 516 HB2 LEU 67 2HB LEU 67 -9.267 13.494 -10.314 517 HB3 LEU 67 3HB LEU 67 -8.770 14.913 -11.233 518 HG LEU 67 HG LEU 67 -7.623 14.178 -8.543 519 HD11 LEU 67 1HD1 LEU 67 -7.273 12.530 -10.516 520 HD12 LEU 67 2HD1 LEU 67 -5.885 13.050 -9.561 521 HD13 LEU 67 3HD1 LEU 67 -6.194 13.779 -11.137 522 HD21 LEU 67 1HD2 LEU 67 -5.999 15.819 -8.962 523 HD22 LEU 67 2HD2 LEU 67 -7.531 16.572 -9.403 524 HD23 LEU 67 3HD2 LEU 67 -6.455 15.960 -10.660 525 H GLN 68 H GLN 68 -11.994 13.894 -9.826 526 HA GLN 68 HA GLN 68 -12.965 14.945 -12.260 527 HB2 GLN 68 2HB GLN 68 -13.521 12.688 -11.505 528 HB3 GLN 68 3HB GLN 68 -14.400 13.347 -10.132 529 HG2 GLN 68 2HG GLN 68 -15.185 14.112 -12.907 530 HG3 GLN 68 3HG GLN 68 -15.683 12.558 -12.242 531 HE21 GLN 68 1HE2 GLN 68 -17.313 14.832 -13.009 532 HE22 GLN 68 2HE2 GLN 68 -18.191 15.300 -11.597 533 H GLU 69 H GLU 69 -14.246 15.280 -8.945 534 HA GLU 69 HA GLU 69 -16.262 17.106 -9.528 535 HB2 GLU 69 2HB GLU 69 -15.344 15.865 -7.260 536 HB3 GLU 69 3HB GLU 69 -14.940 17.547 -6.945 537 HG2 GLU 69 2HG GLU 69 -17.405 17.974 -7.695 538 HG3 GLU 69 3HG GLU 69 -17.608 16.270 -7.290 539 H ARG 70 H ARG 70 -12.902 17.707 -8.546 540 HA ARG 70 HA ARG 70 -13.098 20.526 -8.545 541 HB2 ARG 70 2HB ARG 70 -11.204 18.732 -7.751 542 HB3 ARG 70 3HB ARG 70 -10.469 19.378 -9.212 543 HG2 ARG 70 2HG ARG 70 -11.384 21.622 -7.874 544 HG3 ARG 70 3HG ARG 70 -10.756 20.576 -6.597 545 HD2 ARG 70 2HD ARG 70 -9.036 22.086 -7.493 546 HD3 ARG 70 3HD ARG 70 -8.635 20.389 -7.752 547 HE ARG 70 HE ARG 70 -9.911 21.174 -10.044 548 HH11 ARG 70 1HH1 ARG 70 -7.112 22.235 -8.265 549 HH12 ARG 70 2HH1 ARG 70 -6.275 22.810 -9.670 550 HH21 ARG 70 1HH2 ARG 70 -8.818 21.925 -11.901 551 HH22 ARG 70 2HH2 ARG 70 -7.247 22.633 -11.737 552 H ARG 71 H ARG 71 -12.328 18.173 -11.036 553 HA ARG 71 HA ARG 71 -11.293 19.903 -12.976 554 HB2 ARG 71 2HB ARG 71 -11.077 17.538 -13.276 555 HB3 ARG 71 3HB ARG 71 -12.820 17.313 -13.231 556 HG2 ARG 71 2HG ARG 71 -11.912 19.129 -15.333 557 HG3 ARG 71 3HG ARG 71 -11.308 17.477 -15.488 558 HD2 ARG 71 2HD ARG 71 -13.545 16.599 -15.433 559 HD3 ARG 71 3HD ARG 71 -14.208 18.195 -15.083 560 HE ARG 71 HE ARG 71 -14.046 18.722 -17.311 561 HH11 ARG 71 1HH1 ARG 71 -12.244 15.813 -16.670 562 HH12 ARG 71 2HH1 ARG 71 -11.971 15.457 -18.343 563 HH21 ARG 71 1HH2 ARG 71 -13.694 18.264 -19.518 564 HH22 ARG 71 2HH2 ARG 71 -12.795 16.853 -19.962 565 H GLU 72 H GLU 72 -14.637 18.772 -12.505 566 HA GLU 72 HA GLU 72 -15.781 20.229 -14.606 567 HB2 GLU 72 2HB GLU 72 -16.707 18.400 -12.823 568 HB3 GLU 72 3HB GLU 72 -17.449 19.866 -12.199 569 HG2 GLU 72 2HG GLU 72 -17.704 19.603 -15.084 570 HG3 GLU 72 3HG GLU 72 -18.444 18.272 -14.196 571 H LYS 73 H LYS 73 -15.606 21.016 -11.136 572 HA LYS 73 HA LYS 73 -16.826 23.528 -11.290 573 HB2 LYS 73 2HB LYS 73 -15.824 21.968 -9.275 574 HB3 LYS 73 3HB LYS 73 -14.674 23.300 -9.301 575 HG2 LYS 73 2HG LYS 73 -16.132 24.727 -8.399 576 HG3 LYS 73 3HG LYS 73 -17.457 24.167 -9.423 577 HD2 LYS 73 2HD LYS 73 -18.020 23.687 -7.144 578 HD3 LYS 73 3HD LYS 73 -17.652 22.161 -7.951 579 HE2 LYS 73 2HE LYS 73 -15.438 22.142 -6.973 580 HE3 LYS 73 3HE LYS 73 -15.716 23.723 -6.244 581 HZ1 LYS 73 1HZ LYS 73 -17.420 21.383 -5.629 582 HZ2 LYS 73 2HZ LYS 73 -17.286 22.834 -4.770 583 HZ3 LYS 73 3HZ LYS 73 -16.011 21.724 -4.757 584 H PHE 74 H PHE 74 -13.635 22.498 -12.138 585 HA PHE 74 HA PHE 74 -12.569 25.195 -12.198 586 HB2 PHE 74 2HB PHE 74 -11.149 23.269 -11.526 587 HB3 PHE 74 3HB PHE 74 -11.314 22.614 -13.152 588 HD1 PHE 74 HD1 PHE 74 -10.311 25.792 -11.473 589 HD2 PHE 74 HD2 PHE 74 -9.625 23.034 -14.642 590 HE1 PHE 74 HE1 PHE 74 -8.364 27.111 -12.195 591 HE2 PHE 74 HE2 PHE 74 -7.675 24.348 -15.368 592 HZ PHE 74 HZ PHE 74 -7.042 26.390 -14.144 593 H GLY 75 H GLY 75 -14.026 22.910 -14.353 594 HA2 GLY 75 2HA GLY 75 -15.040 23.920 -16.365 595 HA3 GLY 75 3HA GLY 75 -13.520 24.771 -16.594 596 H SER 76 H SER 76 -13.833 23.740 -18.774 597 HA SER 76 HA SER 76 -13.051 20.919 -18.830 598 HB2 SER 76 2HB SER 76 -13.364 21.720 -21.461 599 HB3 SER 76 3HB SER 76 -14.591 20.924 -20.475 600 HG SER 76 HG SER 76 -15.494 22.786 -21.261 601 H SER 77 H SER 77 -11.245 20.187 -19.982 602 HA SER 77 HA SER 77 -9.460 21.833 -21.400 603 HB2 SER 77 2HB SER 77 -8.498 22.917 -19.661 604 HB3 SER 77 3HB SER 77 -9.130 21.774 -18.478 605 HG SER 77 HG SER 77 -6.751 21.850 -18.862 606 H LYS 78 H LYS 78 -8.407 20.498 -22.702 607 HA LYS 78 HA LYS 78 -8.563 17.725 -22.566 608 HB2 LYS 78 2HB LYS 78 -7.979 19.179 -24.574 609 HB3 LYS 78 3HB LYS 78 -6.337 19.222 -23.946 610 HG2 LYS 78 2HG LYS 78 -6.314 17.516 -25.532 611 HG3 LYS 78 3HG LYS 78 -6.441 16.672 -23.986 612 HD2 LYS 78 2HD LYS 78 -8.308 15.684 -24.673 613 HD3 LYS 78 3HD LYS 78 -9.070 17.261 -24.893 614 HE2 LYS 78 2HE LYS 78 -7.569 17.181 -27.112 615 HE3 LYS 78 3HE LYS 78 -7.822 15.453 -26.875 616 HZ1 LYS 78 1HZ LYS 78 -10.179 17.138 -26.633 617 HZ2 LYS 78 2HZ LYS 78 -10.004 15.616 -27.350 618 HZ3 LYS 78 3HZ LYS 78 -9.523 17.005 -28.187 619 H GLU 79 H GLU 79 -6.359 19.911 -21.038 620 HA GLU 79 HA GLU 79 -4.263 18.065 -20.525 621 HB2 GLU 79 2HB GLU 79 -5.014 20.586 -19.035 622 HB3 GLU 79 3HB GLU 79 -3.493 19.719 -18.873 623 HG2 GLU 79 2HG GLU 79 -3.722 20.179 -21.593 624 HG3 GLU 79 3HG GLU 79 -4.317 21.661 -20.847 625 H ILE 80 H ILE 80 -6.677 19.448 -18.289 626 HA ILE 80 HA ILE 80 -6.152 17.644 -16.197 627 HB ILE 80 HB ILE 80 -7.297 19.747 -15.785 628 HG12 ILE 80 2HG1 ILE 80 -9.325 17.626 -15.144 629 HG13 ILE 80 3HG1 ILE 80 -7.724 17.574 -14.417 630 HG21 ILE 80 1HG2 ILE 80 -9.685 18.589 -17.209 631 HG22 ILE 80 2HG2 ILE 80 -9.523 20.204 -16.523 632 HG23 ILE 80 3HG2 ILE 80 -8.569 19.746 -17.934 633 HD11 ILE 80 1HD1 ILE 80 -8.088 19.796 -13.472 634 HD12 ILE 80 2HD1 ILE 80 -9.698 19.833 -14.191 635 HD13 ILE 80 3HD1 ILE 80 -9.316 18.647 -12.943 636 H ASP 81 H ASP 81 -8.409 17.535 -18.895 637 HA ASP 81 HA ASP 81 -9.951 15.346 -18.042 638 HB2 ASP 81 2HB ASP 81 -10.801 16.632 -19.841 639 HB3 ASP 81 3HB ASP 81 -9.317 16.449 -20.773 640 H MET 82 H MET 82 -6.939 15.525 -19.880 641 HA MET 82 HA MET 82 -6.771 12.781 -20.520 642 HB2 MET 82 2HB MET 82 -5.452 14.597 -21.613 643 HB3 MET 82 3HB MET 82 -4.489 14.727 -20.147 644 HG2 MET 82 2HG MET 82 -3.121 13.260 -21.096 645 HG3 MET 82 3HG MET 82 -4.348 12.052 -20.725 646 HE1 MET 82 1HE MET 82 -3.174 10.824 -24.023 647 HE2 MET 82 2HE MET 82 -2.153 12.251 -23.849 648 HE3 MET 82 3HE MET 82 -2.513 11.249 -22.443 649 H ALA 83 H ALA 83 -5.257 14.672 -17.910 650 HA ALA 83 HA ALA 83 -3.848 12.650 -16.659 651 HB1 ALA 83 1HB ALA 83 -3.320 14.337 -15.323 652 HB2 ALA 83 2HB ALA 83 -4.589 15.315 -16.062 653 HB3 ALA 83 3HB ALA 83 -4.948 14.331 -14.644 654 H ILE 84 H ILE 84 -7.250 13.548 -16.272 655 HA ILE 84 HA ILE 84 -7.841 11.801 -14.147 656 HB ILE 84 HB ILE 84 -9.675 12.844 -16.308 657 HG12 ILE 84 2HG1 ILE 84 -9.563 13.874 -13.498 658 HG13 ILE 84 3HG1 ILE 84 -8.362 14.420 -14.663 659 HG21 ILE 84 1HG2 ILE 84 -10.786 11.010 -15.350 660 HG22 ILE 84 2HG2 ILE 84 -10.218 11.406 -13.730 661 HG23 ILE 84 3HG2 ILE 84 -11.429 12.421 -14.512 662 HD11 ILE 84 1HD1 ILE 84 -11.306 14.591 -15.201 663 HD12 ILE 84 2HD1 ILE 84 -10.414 15.864 -14.368 664 HD13 ILE 84 3HD1 ILE 84 -9.987 15.426 -16.021 665 H VAL 85 H VAL 85 -8.450 11.421 -17.642 666 HA VAL 85 HA VAL 85 -9.475 8.850 -17.597 667 HB VAL 85 HB VAL 85 -7.741 10.088 -19.740 668 HG11 VAL 85 1HG1 VAL 85 -7.772 7.891 -20.386 669 HG12 VAL 85 2HG1 VAL 85 -9.323 7.569 -19.609 670 HG13 VAL 85 3HG1 VAL 85 -9.266 8.456 -21.133 671 HG21 VAL 85 1HG2 VAL 85 -10.515 9.989 -20.390 672 HG22 VAL 85 2HG2 VAL 85 -10.327 10.771 -18.820 673 HG23 VAL 85 3HG2 VAL 85 -9.467 11.399 -20.226 674 H THR 86 H THR 86 -6.198 9.928 -17.229 675 HA THR 86 HA THR 86 -4.932 7.441 -17.804 676 HB THR 86 HB THR 86 -3.931 9.802 -16.202 677 HG1 THR 86 HG1 THR 86 -4.062 10.515 -18.244 678 HG21 THR 86 1HG2 THR 86 -1.747 8.486 -17.248 679 HG22 THR 86 2HG2 THR 86 -2.792 7.168 -16.718 680 HG23 THR 86 3HG2 THR 86 -2.290 8.411 -15.573 681 H LEU 87 H LEU 87 -5.548 9.132 -14.722 682 HA LEU 87 HA LEU 87 -4.666 7.138 -13.009 683 HB2 LEU 87 2HB LEU 87 -6.469 9.457 -12.809 684 HB3 LEU 87 3HB LEU 87 -6.691 8.216 -11.578 685 HG LEU 87 HG LEU 87 -4.092 9.637 -12.150 686 HD11 LEU 87 1HD1 LEU 87 -5.455 11.277 -11.211 687 HD12 LEU 87 2HD1 LEU 87 -4.601 10.597 -9.826 688 HD13 LEU 87 3HD1 LEU 87 -6.270 10.128 -10.150 689 HD21 LEU 87 1HD2 LEU 87 -3.653 7.477 -11.251 690 HD22 LEU 87 2HD2 LEU 87 -4.929 7.651 -10.046 691 HD23 LEU 87 3HD2 LEU 87 -3.471 8.638 -9.936 692 H LYS 88 H LYS 88 -7.693 7.441 -14.731 693 HA LYS 88 HA LYS 88 -9.095 5.430 -13.280 694 HB2 LYS 88 2HB LYS 88 -9.539 6.651 -16.005 695 HB3 LYS 88 3HB LYS 88 -10.626 5.467 -15.291 696 HG2 LYS 88 2HG LYS 88 -10.839 7.060 -13.329 697 HG3 LYS 88 3HG LYS 88 -10.040 8.256 -14.352 698 HD2 LYS 88 2HD LYS 88 -11.806 7.954 -16.043 699 HD3 LYS 88 3HD LYS 88 -12.615 6.809 -14.971 700 HE2 LYS 88 2HE LYS 88 -13.199 8.460 -13.445 701 HE3 LYS 88 3HE LYS 88 -11.955 9.569 -14.021 702 HZ1 LYS 88 1HZ LYS 88 -13.205 9.980 -15.992 703 HZ2 LYS 88 2HZ LYS 88 -14.244 10.191 -14.675 704 HZ3 LYS 88 3HZ LYS 88 -14.336 8.782 -15.607 705 H VAL 89 H VAL 89 -7.822 5.394 -16.616 706 HA VAL 89 HA VAL 89 -8.123 2.662 -17.057 707 HB VAL 89 HB VAL 89 -6.558 2.887 -18.887 708 HG11 VAL 89 1HG1 VAL 89 -8.256 3.872 -19.929 709 HG12 VAL 89 2HG1 VAL 89 -8.768 4.671 -18.440 710 HG13 VAL 89 3HG1 VAL 89 -7.563 5.431 -19.483 711 HG21 VAL 89 1HG2 VAL 89 -5.838 5.565 -17.699 712 HG22 VAL 89 2HG2 VAL 89 -4.811 4.131 -17.707 713 HG23 VAL 89 3HG2 VAL 89 -5.242 4.916 -19.226 714 H PHE 90 H PHE 90 -5.760 4.372 -15.212 715 HA PHE 90 HA PHE 90 -3.784 2.292 -15.219 716 HB2 PHE 90 2HB PHE 90 -3.290 4.726 -14.823 717 HB3 PHE 90 3HB PHE 90 -4.068 4.569 -13.252 718 HD1 PHE 90 HD1 PHE 90 -1.597 2.535 -15.177 719 HD2 PHE 90 HD2 PHE 90 -2.554 4.527 -11.539 720 HE1 PHE 90 HE1 PHE 90 0.532 1.776 -14.205 721 HE2 PHE 90 HE2 PHE 90 -0.426 3.771 -10.561 722 HZ PHE 90 HZ PHE 90 1.121 2.395 -11.895 723 H ALA 91 H ALA 91 -6.325 3.362 -13.002 724 HA ALA 91 HA ALA 91 -5.708 1.540 -10.923 725 HB1 ALA 91 1HB ALA 91 -7.245 3.683 -10.989 726 HB2 ALA 91 2HB ALA 91 -8.500 2.486 -11.309 727 HB3 ALA 91 3HB ALA 91 -7.535 2.378 -9.838 728 H VAL 92 H VAL 92 -7.838 1.374 -13.731 729 HA VAL 92 HA VAL 92 -8.966 -1.162 -12.986 730 HB VAL 92 HB VAL 92 -9.020 0.176 -15.693 731 HG11 VAL 92 1HG1 VAL 92 -11.353 -1.224 -15.375 732 HG12 VAL 92 2HG1 VAL 92 -9.939 -1.781 -16.273 733 HG13 VAL 92 3HG1 VAL 92 -10.170 -2.273 -14.595 734 HG21 VAL 92 1HG2 VAL 92 -9.890 1.650 -13.922 735 HG22 VAL 92 2HG2 VAL 92 -11.151 1.132 -15.042 736 HG23 VAL 92 3HG2 VAL 92 -11.025 0.385 -13.449 737 H ALA 93 H ALA 93 -6.930 -0.177 -15.750 738 HA ALA 93 HA ALA 93 -6.255 -2.807 -16.505 739 HB1 ALA 93 1HB ALA 93 -5.989 -0.410 -17.685 740 HB2 ALA 93 2HB ALA 93 -4.330 -0.666 -17.147 741 HB3 ALA 93 3HB ALA 93 -5.108 -1.849 -18.198 742 H GLY 94 H GLY 94 -5.201 -0.901 -13.906 743 HA2 GLY 94 2HA GLY 94 -2.665 -2.368 -13.669 744 HA3 GLY 94 3HA GLY 94 -3.100 -0.923 -12.770 745 H LEU 95 H LEU 95 -4.961 -1.192 -11.225 746 HA LEU 95 HA LEU 95 -4.379 -3.191 -9.363 747 HB2 LEU 95 2HB LEU 95 -5.949 -0.917 -9.442 748 HB3 LEU 95 3HB LEU 95 -7.111 -2.218 -9.191 749 HG LEU 95 HG LEU 95 -6.527 -1.366 -7.054 750 HD11 LEU 95 1HD1 LEU 95 -6.499 -3.924 -7.535 751 HD12 LEU 95 2HD1 LEU 95 -5.956 -3.316 -5.972 752 HD13 LEU 95 3HD1 LEU 95 -4.775 -3.778 -7.196 753 HD21 LEU 95 1HD2 LEU 95 -4.600 -0.222 -6.983 754 HD22 LEU 95 2HD2 LEU 95 -3.848 -1.213 -8.233 755 HD23 LEU 95 3HD2 LEU 95 -3.883 -1.776 -6.560 756 H LEU 96 H LEU 96 -6.913 -3.003 -11.823 757 HA LEU 96 HA LEU 96 -7.911 -5.638 -11.084 758 HB2 LEU 96 2HB LEU 96 -8.990 -3.328 -12.346 759 HB3 LEU 96 3HB LEU 96 -9.118 -4.682 -13.467 760 HG LEU 96 HG LEU 96 -10.172 -5.917 -11.428 761 HD11 LEU 96 1HD1 LEU 96 -9.820 -4.403 -9.676 762 HD12 LEU 96 2HD1 LEU 96 -11.527 -4.229 -10.084 763 HD13 LEU 96 3HD1 LEU 96 -10.361 -3.028 -10.638 764 HD21 LEU 96 1HD2 LEU 96 -11.433 -5.524 -13.398 765 HD22 LEU 96 2HD2 LEU 96 -11.528 -3.793 -13.075 766 HD23 LEU 96 3HD2 LEU 96 -12.404 -4.931 -12.050 767 H ASN 97 H ASN 97 -5.468 -4.442 -12.964 768 HA ASN 97 HA ASN 97 -4.218 -5.233 -14.699 769 HB2 ASN 97 2HB ASN 97 -5.264 -7.920 -13.787 770 HB3 ASN 97 3HB ASN 97 -3.774 -7.612 -14.673 771 HD21 ASN 97 1HD2 ASN 97 -5.048 -8.206 -11.700 772 HD22 ASN 97 2HD2 ASN 97 -3.765 -7.601 -10.713 773 H MET 98 H MET 98 -6.986 -4.519 -15.285 774 HA MET 98 HA MET 98 -8.072 -6.407 -17.123 775 HB2 MET 98 2HB MET 98 -8.826 -3.872 -16.011 776 HB3 MET 98 3HB MET 98 -9.023 -3.818 -17.757 777 HG2 MET 98 2HG MET 98 -10.063 -6.222 -16.412 778 HG3 MET 98 3HG MET 98 -10.901 -4.711 -16.068 779 HE1 MET 98 1HE MET 98 -9.994 -7.433 -18.166 780 HE2 MET 98 2HE MET 98 -11.672 -7.658 -18.659 781 HE3 MET 98 3HE MET 98 -10.477 -7.095 -19.829 782 H THR 99 H THR 99 -8.032 -6.416 -19.358 783 HA THR 99 HA THR 99 -5.672 -5.232 -20.547 784 HB THR 99 HB THR 99 -6.124 -7.512 -21.152 785 HG1 THR 99 HG1 THR 99 -6.304 -7.231 -23.470 786 HG21 THR 99 1HG2 THR 99 -8.297 -7.740 -22.698 787 HG22 THR 99 2HG2 THR 99 -8.864 -6.478 -21.603 788 HG23 THR 99 3HG2 THR 99 -8.330 -8.030 -20.959 789 H VAL 100 H VAL 100 -6.861 -3.062 -20.025 790 HA VAL 100 HA VAL 100 -9.003 -2.097 -21.463 791 HB VAL 100 HB VAL 100 -6.495 -0.581 -20.723 792 HG11 VAL 100 1HG1 VAL 100 -7.809 0.605 -22.398 793 HG12 VAL 100 2HG1 VAL 100 -9.254 0.433 -21.402 794 HG13 VAL 100 3HG1 VAL 100 -7.904 1.416 -20.836 795 HG21 VAL 100 1HG2 VAL 100 -9.103 -0.894 -19.239 796 HG22 VAL 100 2HG2 VAL 100 -7.578 -1.671 -18.812 797 HG23 VAL 100 3HG2 VAL 100 -7.727 0.085 -18.729 798 H SER 101 H SER 101 -9.304 -1.151 -23.453 799 HA SER 101 HA SER 101 -7.192 -1.681 -25.425 800 HB2 SER 101 2HB SER 101 -10.187 -1.415 -25.696 801 HB3 SER 101 3HB SER 101 -9.105 -1.441 -27.087 802 HG SER 101 HG SER 101 -9.145 -3.522 -26.914 803 H THR 102 H THR 102 -9.456 0.783 -24.308 804 HA THR 102 HA THR 102 -7.744 2.826 -25.522 805 HB THR 102 HB THR 102 -9.706 4.110 -26.289 806 HG1 THR 102 HG1 THR 102 -11.695 2.724 -26.471 807 HG21 THR 102 1HG2 THR 102 -9.472 1.319 -27.416 808 HG22 THR 102 2HG2 THR 102 -8.559 2.743 -27.916 809 HG23 THR 102 3HG2 THR 102 -10.294 2.658 -28.217 810 H ALA 103 H ALA 103 -7.682 4.781 -24.427 811 HA ALA 103 HA ALA 103 -7.973 4.780 -21.685 812 HB1 ALA 103 1HB ALA 103 -7.084 6.588 -23.612 813 HB2 ALA 103 2HB ALA 103 -8.336 7.446 -22.717 814 HB3 ALA 103 3HB ALA 103 -6.961 6.750 -21.860 815 H ALA 104 H ALA 104 -10.300 5.717 -24.150 816 HA ALA 104 HA ALA 104 -12.203 6.824 -22.332 817 HB1 ALA 104 1HB ALA 104 -13.357 7.399 -24.168 818 HB2 ALA 104 2HB ALA 104 -11.888 6.929 -25.024 819 HB3 ALA 104 3HB ALA 104 -13.227 5.790 -24.879 820 H ALA 105 H ALA 105 -11.791 3.670 -23.881 821 HA ALA 105 HA ALA 105 -14.190 2.485 -23.100 822 HB1 ALA 105 1HB ALA 105 -12.855 1.369 -24.703 823 HB2 ALA 105 2HB ALA 105 -11.472 1.301 -23.610 824 HB3 ALA 105 3HB ALA 105 -12.903 0.323 -23.284 825 H ALA 106 H ALA 106 -11.066 2.602 -21.415 826 HA ALA 106 HA ALA 106 -11.899 1.066 -19.182 827 HB1 ALA 106 1HB ALA 106 -9.717 1.117 -18.797 828 HB2 ALA 106 2HB ALA 106 -9.510 2.325 -20.066 829 HB3 ALA 106 3HB ALA 106 -9.822 2.834 -18.406 830 H GLU 107 H GLU 107 -11.686 4.560 -19.764 831 HA GLU 107 HA GLU 107 -12.394 5.433 -17.208 832 HB2 GLU 107 2HB GLU 107 -11.513 6.959 -18.879 833 HB3 GLU 107 3HB GLU 107 -12.925 6.710 -19.896 834 HG2 GLU 107 2HG GLU 107 -13.599 7.610 -17.212 835 HG3 GLU 107 3HG GLU 107 -12.572 8.742 -18.091 836 H ASN 108 H ASN 108 -14.427 4.632 -19.998 837 HA ASN 108 HA ASN 108 -16.889 5.381 -18.873 838 HB2 ASN 108 2HB ASN 108 -15.973 4.075 -21.256 839 HB3 ASN 108 3HB ASN 108 -17.328 3.168 -20.592 840 HD21 ASN 108 1HD2 ASN 108 -19.229 4.531 -19.944 841 HD22 ASN 108 2HD2 ASN 108 -19.663 5.821 -21.009 842 H MET 109 H MET 109 -15.251 2.225 -18.978 843 HA MET 109 HA MET 109 -17.244 0.818 -17.556 844 HB2 MET 109 2HB MET 109 -15.357 -0.146 -18.971 845 HB3 MET 109 3HB MET 109 -14.310 0.124 -17.584 846 HG2 MET 109 2HG MET 109 -16.574 -1.235 -16.624 847 HG3 MET 109 3HG MET 109 -16.092 -2.043 -18.114 848 HE1 MET 109 1HE MET 109 -15.672 -4.142 -15.731 849 HE2 MET 109 2HE MET 109 -14.741 -3.452 -14.402 850 HE3 MET 109 3HE MET 109 -16.230 -2.671 -14.935 851 H TYR 110 H TYR 110 -14.420 2.645 -16.539 852 HA TYR 110 HA TYR 110 -14.268 1.813 -13.880 853 HB2 TYR 110 2HB TYR 110 -12.605 3.252 -15.123 854 HB3 TYR 110 3HB TYR 110 -13.692 4.611 -14.864 855 HD1 TYR 110 HD1 TYR 110 -13.017 6.020 -13.178 856 HD2 TYR 110 HD2 TYR 110 -12.301 1.848 -12.753 857 HE1 TYR 110 HE1 TYR 110 -11.993 6.426 -10.979 858 HE2 TYR 110 HE2 TYR 110 -11.276 2.242 -10.553 859 HH TYR 110 HH TYR 110 -10.042 4.531 -9.482 860 H SER 111 H SER 111 -16.043 4.556 -15.290 861 HA SER 111 HA SER 111 -17.275 5.234 -12.784 862 HB2 SER 111 2HB SER 111 -18.291 7.024 -13.931 863 HB3 SER 111 3HB SER 111 -16.740 6.821 -14.743 864 HG SER 111 HG SER 111 -18.662 7.023 -16.125 865 H GLN 112 H GLN 112 -18.135 3.372 -15.620 866 HA GLN 112 HA GLN 112 -20.897 3.164 -15.202 867 HB2 GLN 112 2HB GLN 112 -19.915 2.480 -17.297 868 HB3 GLN 112 3HB GLN 112 -18.958 1.243 -16.494 869 HG2 GLN 112 2HG GLN 112 -20.994 0.036 -15.909 870 HG3 GLN 112 3HG GLN 112 -21.961 1.282 -16.697 871 HE21 GLN 112 1HE2 GLN 112 -20.402 -1.650 -17.076 872 HE22 GLN 112 2HE2 GLN 112 -20.447 -1.751 -18.800 873 H MET 113 H MET 113 -18.203 1.549 -13.698 874 HA MET 113 HA MET 113 -19.853 -0.475 -12.455 875 HB2 MET 113 2HB MET 113 -17.211 -0.384 -13.114 876 HB3 MET 113 3HB MET 113 -17.142 -0.021 -11.395 877 HG2 MET 113 2HG MET 113 -18.791 -2.325 -12.281 878 HG3 MET 113 3HG MET 113 -17.036 -2.488 -12.298 879 HE1 MET 113 1HE MET 113 -15.836 -3.494 -9.916 880 HE2 MET 113 2HE MET 113 -17.166 -4.359 -9.147 881 HE3 MET 113 3HE MET 113 -17.019 -4.351 -10.905 882 H GLY 114 H GLY 114 -18.760 2.711 -11.748 883 HA2 GLY 114 2HA GLY 114 -19.879 3.969 -10.027 884 HA3 GLY 114 3HA GLY 114 -19.989 2.493 -9.079 885 H LEU 115 H LEU 115 -17.045 3.339 -10.731 886 HA LEU 115 HA LEU 115 -15.731 3.636 -8.134 887 HB2 LEU 115 2HB LEU 115 -14.541 3.281 -10.881 888 HB3 LEU 115 3HB LEU 115 -13.649 3.292 -9.361 889 HG LEU 115 HG LEU 115 -15.781 1.270 -9.548 890 HD11 LEU 115 1HD1 LEU 115 -14.954 -0.031 -11.205 891 HD12 LEU 115 2HD1 LEU 115 -13.299 0.534 -10.976 892 HD13 LEU 115 3HD1 LEU 115 -14.458 1.534 -11.852 893 HD21 LEU 115 1HD2 LEU 115 -13.081 0.402 -8.956 894 HD22 LEU 115 2HD2 LEU 115 -14.539 0.311 -7.969 895 HD23 LEU 115 3HD2 LEU 115 -13.563 1.781 -7.968 896 H ASP 116 H ASP 116 -16.583 5.420 -10.973 897 HA ASP 116 HA ASP 116 -15.036 7.729 -9.993 898 HB2 ASP 116 2HB ASP 116 -14.259 7.311 -12.165 899 HB3 ASP 116 3HB ASP 116 -15.864 6.899 -12.761 900 H THR 117 H THR 117 -16.172 9.298 -9.084 901 HA THR 117 HA THR 117 -19.028 9.294 -9.102 902 HB THR 117 HB THR 117 -17.102 11.369 -8.040 903 HG1 THR 117 HG1 THR 117 -18.006 10.265 -6.013 904 HG21 THR 117 1HG2 THR 117 -19.988 11.359 -8.295 905 HG22 THR 117 2HG2 THR 117 -18.909 12.658 -7.785 906 HG23 THR 117 3HG2 THR 117 -19.487 11.478 -6.610 907 H ARG 118 H ARG 118 -19.501 9.519 -11.351 908 HA ARG 118 HA ARG 118 -18.645 11.680 -12.936 909 HB2 ARG 118 2HB ARG 118 -20.519 9.486 -13.160 910 HB3 ARG 118 3HB ARG 118 -21.186 10.953 -13.862 911 HG2 ARG 118 2HG ARG 118 -18.453 9.909 -14.549 912 HG3 ARG 118 3HG ARG 118 -19.914 9.452 -15.429 913 HD2 ARG 118 2HD ARG 118 -20.327 11.772 -16.002 914 HD3 ARG 118 3HD ARG 118 -18.932 12.278 -15.049 915 HE ARG 118 HE ARG 118 -18.223 10.396 -17.072 916 HH11 ARG 118 1HH1 ARG 118 -18.942 13.752 -16.491 917 HH12 ARG 118 2HH1 ARG 118 -18.014 14.319 -17.840 918 HH21 ARG 118 1HH2 ARG 118 -16.999 11.130 -18.851 919 HH22 ARG 118 2HH2 ARG 118 -16.910 12.826 -19.182 920 HA PRO 119 HA PRO 119 -22.822 13.832 -11.833 921 HB2 PRO 119 2HB PRO 119 -24.321 12.727 -9.858 922 HB3 PRO 119 3HB PRO 119 -24.490 12.277 -11.559 923 HG2 PRO 119 2HG PRO 119 -23.006 10.878 -9.369 924 HG3 PRO 119 3HG PRO 119 -24.046 10.192 -10.632 925 HD2 PRO 119 2HD PRO 119 -21.342 10.156 -10.792 926 HD3 PRO 119 3HD PRO 119 -22.383 10.280 -12.226 Start of MODEL 11 1 H1 GLY 2 H GLY 2 6.222 -1.858 2.310 2 HA2 GLY 2 2HA GLY 2 7.110 0.492 2.134 3 HA3 GLY 2 3HA GLY 2 7.484 -0.505 0.736 4 H ASN 3 H ASN 3 7.533 2.118 0.318 5 HA ASN 3 HA ASN 3 4.946 2.775 -0.924 6 HB2 ASN 3 2HB ASN 3 5.952 5.143 -0.969 7 HB3 ASN 3 3HB ASN 3 5.444 4.503 0.592 8 HD21 ASN 3 1HD2 ASN 3 8.078 5.553 -1.345 9 HD22 ASN 3 2HD2 ASN 3 9.303 5.436 -0.133 10 H LEU 4 H LEU 4 4.893 3.567 -3.047 11 HA LEU 4 HA LEU 4 5.444 3.505 -5.256 12 HB2 LEU 4 2HB LEU 4 7.124 5.216 -4.030 13 HB3 LEU 4 3HB LEU 4 8.288 4.087 -4.721 14 HG LEU 4 HG LEU 4 6.262 5.750 -6.212 15 HD11 LEU 4 1HD1 LEU 4 9.276 5.762 -6.229 16 HD12 LEU 4 2HD1 LEU 4 8.245 6.960 -5.448 17 HD13 LEU 4 3HD1 LEU 4 8.224 6.788 -7.204 18 HD21 LEU 4 1HD2 LEU 4 7.234 4.778 -8.244 19 HD22 LEU 4 2HD2 LEU 4 6.436 3.559 -7.249 20 HD23 LEU 4 3HD2 LEU 4 8.196 3.681 -7.252 21 H LYS 5 H LYS 5 5.491 1.009 -4.073 22 HA LYS 5 HA LYS 5 7.766 -0.533 -4.325 23 HB2 LYS 5 2HB LYS 5 5.125 -1.023 -3.761 24 HB3 LYS 5 3HB LYS 5 5.333 -1.863 -5.293 25 HG2 LYS 5 2HG LYS 5 6.689 -3.435 -4.407 26 HG3 LYS 5 3HG LYS 5 7.424 -2.314 -3.260 27 HD2 LYS 5 2HD LYS 5 4.604 -2.770 -2.718 28 HD3 LYS 5 3HD LYS 5 5.548 -4.261 -2.677 29 HE2 LYS 5 2HE LYS 5 6.617 -1.858 -1.283 30 HE3 LYS 5 3HE LYS 5 5.280 -2.734 -0.540 31 HZ1 LYS 5 1HZ LYS 5 7.039 -4.684 -1.282 32 HZ2 LYS 5 2HZ LYS 5 6.826 -4.079 0.283 33 HZ3 LYS 5 3HZ LYS 5 8.040 -3.447 -0.710 34 H SER 6 H SER 6 9.079 -0.841 -5.987 35 HA SER 6 HA SER 6 8.514 -0.066 -8.625 36 HB2 SER 6 2HB SER 6 10.786 -0.695 -7.286 37 HB3 SER 6 3HB SER 6 10.583 -2.150 -8.260 38 HG SER 6 HG SER 6 11.778 -0.622 -9.408 39 H ARG 7 H ARG 7 7.951 -3.027 -6.916 40 HA ARG 7 HA ARG 7 7.717 -4.765 -9.134 41 HB2 ARG 7 2HB ARG 7 6.370 -4.945 -6.433 42 HB3 ARG 7 3HB ARG 7 6.531 -6.258 -7.592 43 HG2 ARG 7 2HG ARG 7 8.816 -6.469 -7.227 44 HG3 ARG 7 3HG ARG 7 8.947 -4.858 -6.519 45 HD2 ARG 7 2HD ARG 7 9.130 -6.506 -4.774 46 HD3 ARG 7 3HD ARG 7 7.606 -5.640 -4.594 47 HE ARG 7 HE ARG 7 6.517 -7.619 -4.891 48 HH11 ARG 7 1HH1 ARG 7 9.723 -7.909 -6.219 49 HH12 ARG 7 2HH1 ARG 7 9.560 -9.595 -6.583 50 HH21 ARG 7 1HH2 ARG 7 6.291 -9.838 -5.367 51 HH22 ARG 7 2HH2 ARG 7 7.607 -10.691 -6.100 52 H ASP 8 H ASP 8 5.168 -3.240 -7.155 53 HA ASP 8 HA ASP 8 3.097 -3.937 -8.987 54 HB2 ASP 8 2HB ASP 8 2.821 -1.724 -6.982 55 HB3 ASP 8 3HB ASP 8 1.626 -2.909 -7.501 56 H TRP 9 H TRP 9 5.215 -1.205 -8.596 57 HA TRP 9 HA TRP 9 3.743 0.681 -10.097 58 HB2 TRP 9 2HB TRP 9 5.525 1.451 -8.686 59 HB3 TRP 9 3HB TRP 9 6.699 0.439 -9.523 60 HD1 TRP 9 HD1 TRP 9 8.273 2.037 -10.756 61 HE1 TRP 9 HE1 TRP 9 7.989 4.073 -12.306 62 HE3 TRP 9 HE3 TRP 9 3.195 2.562 -10.483 63 HZ2 TRP 9 HZ2 TRP 9 5.889 5.687 -13.282 64 HZ3 TRP 9 HZ3 TRP 9 2.127 4.378 -11.754 65 HH2 TRP 9 HH2 TRP 9 3.448 5.908 -13.124 66 H LYS 10 H LYS 10 6.566 -1.286 -11.049 67 HA LYS 10 HA LYS 10 6.383 -0.617 -13.796 68 HB2 LYS 10 2HB LYS 10 8.428 -1.482 -12.593 69 HB3 LYS 10 3HB LYS 10 7.686 -3.076 -12.623 70 HG2 LYS 10 2HG LYS 10 8.141 -3.394 -14.801 71 HG3 LYS 10 3HG LYS 10 7.831 -1.707 -15.222 72 HD2 LYS 10 2HD LYS 10 10.043 -1.260 -13.925 73 HD3 LYS 10 3HD LYS 10 10.338 -2.979 -14.194 74 HE2 LYS 10 2HE LYS 10 10.723 -2.695 -16.394 75 HE3 LYS 10 3HE LYS 10 9.445 -1.492 -16.564 76 HZ1 LYS 10 1HZ LYS 10 11.758 -0.626 -15.052 77 HZ2 LYS 10 2HZ LYS 10 10.872 0.190 -16.240 78 HZ3 LYS 10 3HZ LYS 10 12.054 -0.934 -16.689 79 H MET 11 H MET 11 4.928 -3.096 -11.823 80 HA MET 11 HA MET 11 4.147 -4.871 -13.864 81 HB2 MET 11 2HB MET 11 3.350 -4.374 -11.048 82 HB3 MET 11 3HB MET 11 2.212 -5.267 -12.049 83 HG2 MET 11 2HG MET 11 4.909 -6.257 -12.358 84 HG3 MET 11 3HG MET 11 4.384 -6.291 -10.677 85 HE1 MET 11 1HE MET 11 3.146 -8.679 -14.229 86 HE2 MET 11 2HE MET 11 1.985 -7.357 -14.103 87 HE3 MET 11 3HE MET 11 3.711 -7.008 -14.207 88 H ALA 12 H ALA 12 2.251 -2.349 -12.198 89 HA ALA 12 HA ALA 12 -0.032 -2.564 -13.810 90 HB1 ALA 12 1HB ALA 12 -0.333 -0.087 -13.020 91 HB2 ALA 12 2HB ALA 12 -0.433 -1.413 -11.861 92 HB3 ALA 12 3HB ALA 12 1.047 -0.464 -11.989 93 H ILE 13 H ILE 13 2.643 -0.214 -13.980 94 HA ILE 13 HA ILE 13 1.781 1.177 -16.231 95 HB ILE 13 HB ILE 13 4.602 0.628 -15.309 96 HG12 ILE 13 2HG1 ILE 13 3.069 1.859 -13.743 97 HG13 ILE 13 3HG1 ILE 13 4.485 2.776 -14.244 98 HG21 ILE 13 1HG2 ILE 13 4.980 1.291 -17.474 99 HG22 ILE 13 2HG2 ILE 13 3.526 2.284 -17.539 100 HG23 ILE 13 3HG2 ILE 13 4.941 2.852 -16.654 101 HD11 ILE 13 1HD1 ILE 13 3.236 4.181 -15.610 102 HD12 ILE 13 2HD1 ILE 13 1.865 3.072 -15.657 103 HD13 ILE 13 3HD1 ILE 13 2.226 3.966 -14.181 104 H LYS 14 H LYS 14 3.441 -1.889 -15.959 105 HA LYS 14 HA LYS 14 4.262 -2.119 -18.657 106 HB2 LYS 14 2HB LYS 14 5.262 -3.524 -16.972 107 HB3 LYS 14 3HB LYS 14 3.698 -4.213 -16.554 108 HG2 LYS 14 2HG LYS 14 3.883 -5.773 -18.117 109 HG3 LYS 14 3HG LYS 14 4.265 -4.575 -19.357 110 HD2 LYS 14 2HD LYS 14 6.614 -4.548 -18.300 111 HD3 LYS 14 3HD LYS 14 6.126 -6.059 -17.530 112 HE2 LYS 14 2HE LYS 14 6.461 -7.201 -19.409 113 HE3 LYS 14 3HE LYS 14 5.467 -6.078 -20.336 114 HZ1 LYS 14 1HZ LYS 14 7.422 -4.602 -20.471 115 HZ2 LYS 14 2HZ LYS 14 7.672 -6.094 -21.227 116 HZ3 LYS 14 3HZ LYS 14 8.355 -5.791 -19.710 117 H ARG 15 H ARG 15 1.381 -3.269 -16.932 118 HA ARG 15 HA ARG 15 0.220 -4.463 -19.256 119 HB2 ARG 15 2HB ARG 15 -0.248 -4.591 -16.528 120 HB3 ARG 15 3HB ARG 15 -1.660 -3.743 -17.146 121 HG2 ARG 15 2HG ARG 15 -2.207 -6.035 -17.130 122 HG3 ARG 15 3HG ARG 15 -1.911 -5.607 -18.816 123 HD2 ARG 15 2HD ARG 15 -0.131 -6.965 -18.971 124 HD3 ARG 15 3HD ARG 15 0.470 -6.512 -17.376 125 HE ARG 15 HE ARG 15 -1.805 -8.135 -17.080 126 HH11 ARG 15 1HH1 ARG 15 1.518 -8.322 -18.103 127 HH12 ARG 15 2HH1 ARG 15 1.697 -9.987 -17.658 128 HH21 ARG 15 1HH2 ARG 15 -1.580 -10.327 -16.489 129 HH22 ARG 15 2HH2 ARG 15 -0.065 -11.126 -16.741 130 H CYS 16 H CYS 16 -0.602 -1.559 -17.354 131 HA CYS 16 HA CYS 16 -2.641 -0.605 -18.976 132 HB2 CYS 16 2HB CYS 16 -0.646 1.061 -17.426 133 HB3 CYS 16 3HB CYS 16 -2.245 1.572 -17.953 134 HG CYS 16 HG CYS 16 -1.741 -0.988 -15.741 135 H SER 17 H SER 17 0.802 -0.501 -19.422 136 HA SER 17 HA SER 17 1.112 1.594 -21.195 137 HB2 SER 17 2HB SER 17 3.176 0.749 -20.811 138 HB3 SER 17 3HB SER 17 2.567 -0.891 -20.593 139 HG SER 17 HG SER 17 3.378 -1.227 -22.497 140 H ASN 18 H ASN 18 -0.317 -1.539 -21.710 141 HA ASN 18 HA ASN 18 -0.254 -1.506 -24.550 142 HB2 ASN 18 2HB ASN 18 -1.038 -3.317 -22.555 143 HB3 ASN 18 3HB ASN 18 -2.495 -2.996 -23.491 144 HD21 ASN 18 1HD2 ASN 18 -2.623 -4.937 -24.500 145 HD22 ASN 18 2HD2 ASN 18 -1.460 -5.503 -25.646 146 H VAL 19 H VAL 19 -2.574 -0.402 -22.139 147 HA VAL 19 HA VAL 19 -4.790 0.088 -23.706 148 HB VAL 19 HB VAL 19 -3.787 1.865 -21.478 149 HG11 VAL 19 1HG1 VAL 19 -5.552 3.107 -22.057 150 HG12 VAL 19 2HG1 VAL 19 -6.202 1.849 -23.110 151 HG13 VAL 19 3HG1 VAL 19 -6.533 1.808 -21.377 152 HG21 VAL 19 1HG2 VAL 19 -3.880 -0.265 -20.529 153 HG22 VAL 19 2HG2 VAL 19 -5.452 0.433 -20.142 154 HG23 VAL 19 3HG2 VAL 19 -5.304 -0.723 -21.465 155 H ALA 20 H ALA 20 -5.528 1.808 -24.938 156 HA ALA 20 HA ALA 20 -3.442 3.387 -26.200 157 HB1 ALA 20 1HB ALA 20 -6.354 3.484 -26.912 158 HB2 ALA 20 2HB ALA 20 -4.950 3.788 -27.937 159 HB3 ALA 20 3HB ALA 20 -5.325 2.144 -27.419 160 H VAL 21 H VAL 21 -3.057 5.475 -25.818 161 HA VAL 21 HA VAL 21 -4.474 6.839 -23.735 162 HB VAL 21 HB VAL 21 -2.106 7.209 -23.918 163 HG11 VAL 21 1HG1 VAL 21 -1.846 8.819 -26.228 164 HG12 VAL 21 2HG1 VAL 21 -1.098 7.256 -25.895 165 HG13 VAL 21 3HG1 VAL 21 -2.660 7.331 -26.711 166 HG21 VAL 21 1HG2 VAL 21 -2.162 9.412 -23.414 167 HG22 VAL 21 2HG2 VAL 21 -3.021 9.842 -24.892 168 HG23 VAL 21 3HG2 VAL 21 -3.905 9.166 -23.523 169 H GLY 22 H GLY 22 -4.587 6.801 -27.207 170 HA2 GLY 22 2HA GLY 22 -6.128 7.728 -28.646 171 HA3 GLY 22 3HA GLY 22 -7.016 8.299 -27.241 172 H VAL 23 H VAL 23 -7.323 10.141 -28.805 173 HA VAL 23 HA VAL 23 -6.977 12.339 -29.290 174 HB VAL 23 HB VAL 23 -4.658 12.318 -27.367 175 HG11 VAL 23 1HG1 VAL 23 -6.010 14.661 -27.045 176 HG12 VAL 23 2HG1 VAL 23 -4.610 14.439 -28.096 177 HG13 VAL 23 3HG1 VAL 23 -6.240 14.350 -28.765 178 HG21 VAL 23 1HG2 VAL 23 -6.292 11.373 -26.023 179 HG22 VAL 23 2HG2 VAL 23 -6.507 13.098 -25.721 180 HG23 VAL 23 3HG2 VAL 23 -7.600 12.252 -26.817 181 H GLY 24 H GLY 24 -5.959 10.649 -31.112 182 HA2 GLY 24 2HA GLY 24 -3.836 12.201 -32.262 183 HA3 GLY 24 3HA GLY 24 -3.297 10.612 -31.738 184 H GLY 25 H GLY 25 -3.334 9.095 -33.250 185 HA2 GLY 25 2HA GLY 25 -5.140 9.482 -35.550 186 HA3 GLY 25 3HA GLY 25 -3.617 8.606 -35.604 187 H LYS 26 H LYS 26 -4.432 6.695 -36.381 188 HA LYS 26 HA LYS 26 -6.554 5.375 -34.861 189 HB2 LYS 26 2HB LYS 26 -6.155 5.544 -37.543 190 HB3 LYS 26 3HB LYS 26 -5.381 4.003 -37.198 191 HG2 LYS 26 2HG LYS 26 -7.462 3.218 -37.542 192 HG3 LYS 26 3HG LYS 26 -7.667 3.658 -35.845 193 HD2 LYS 26 2HD LYS 26 -8.633 5.791 -36.489 194 HD3 LYS 26 3HD LYS 26 -8.360 5.422 -38.194 195 HE2 LYS 26 2HE LYS 26 -10.607 4.900 -37.878 196 HE3 LYS 26 3HE LYS 26 -9.802 3.337 -37.754 197 HZ1 LYS 26 1HZ LYS 26 -9.774 3.842 -35.254 198 HZ2 LYS 26 2HZ LYS 26 -11.233 3.352 -35.956 199 HZ3 LYS 26 3HZ LYS 26 -10.969 4.987 -35.607 200 H SER 27 H SER 27 -3.829 5.706 -33.814 201 HA SER 27 HA SER 27 -3.471 3.178 -32.669 202 HB2 SER 27 2HB SER 27 -1.162 2.738 -33.759 203 HB3 SER 27 3HB SER 27 -2.608 2.284 -34.661 204 HG SER 27 HG SER 27 -2.158 3.747 -36.111 205 H LYS 28 H LYS 28 -3.472 4.773 -30.960 206 HA LYS 28 HA LYS 28 -0.801 5.947 -30.546 207 HB2 LYS 28 2HB LYS 28 -3.477 7.174 -30.338 208 HB3 LYS 28 3HB LYS 28 -2.392 7.518 -28.996 209 HG2 LYS 28 2HG LYS 28 -0.985 7.837 -31.466 210 HG3 LYS 28 3HG LYS 28 -2.486 8.764 -31.510 211 HD2 LYS 28 2HD LYS 28 -1.841 9.686 -29.251 212 HD3 LYS 28 3HD LYS 28 -0.259 8.939 -29.487 213 HE2 LYS 28 2HE LYS 28 -1.023 10.445 -31.817 214 HE3 LYS 28 3HE LYS 28 -1.115 11.455 -30.375 215 HZ1 LYS 28 1HZ LYS 28 1.132 11.099 -29.902 216 HZ2 LYS 28 2HZ LYS 28 1.096 11.360 -31.573 217 HZ3 LYS 28 3HZ LYS 28 1.257 9.789 -30.965 218 H LYS 29 H LYS 29 -0.179 4.074 -29.390 219 HA LYS 29 HA LYS 29 -1.659 3.202 -27.089 220 HB2 LYS 29 2HB LYS 29 0.128 1.629 -26.748 221 HB3 LYS 29 3HB LYS 29 -0.237 1.688 -28.468 222 HG2 LYS 29 2HG LYS 29 1.706 2.991 -28.914 223 HG3 LYS 29 3HG LYS 29 2.013 3.223 -27.192 224 HD2 LYS 29 2HD LYS 29 2.091 0.607 -27.159 225 HD3 LYS 29 3HD LYS 29 2.409 0.794 -28.885 226 HE2 LYS 29 2HE LYS 29 4.402 1.957 -28.509 227 HE3 LYS 29 3HE LYS 29 3.976 2.329 -26.839 228 HZ1 LYS 29 1HZ LYS 29 4.950 -0.211 -27.975 229 HZ2 LYS 29 2HZ LYS 29 4.063 -0.205 -26.534 230 HZ3 LYS 29 3HZ LYS 29 5.523 0.645 -26.632 231 H PHE 30 H PHE 30 -1.178 3.511 -24.931 232 HA PHE 30 HA PHE 30 -0.243 5.978 -24.111 233 HB2 PHE 30 2HB PHE 30 -1.036 3.492 -22.832 234 HB3 PHE 30 3HB PHE 30 0.248 4.299 -21.940 235 HD1 PHE 30 HD1 PHE 30 -3.205 4.046 -22.345 236 HD2 PHE 30 HD2 PHE 30 -0.133 6.904 -21.627 237 HE1 PHE 30 HE1 PHE 30 -4.862 5.573 -21.356 238 HE2 PHE 30 HE2 PHE 30 -1.785 8.435 -20.637 239 HZ PHE 30 HZ PHE 30 -4.152 7.771 -20.499 240 H GLY 31 H GLY 31 1.629 6.272 -22.498 241 HA2 GLY 31 2HA GLY 31 3.991 4.692 -23.164 242 HA3 GLY 31 3HA GLY 31 4.027 6.387 -23.627 243 H GLU 32 H GLU 32 5.956 5.545 -21.970 244 HA GLU 32 HA GLU 32 5.411 5.611 -19.222 245 HB2 GLU 32 2HB GLU 32 7.708 5.472 -20.883 246 HB3 GLU 32 3HB GLU 32 7.976 6.773 -19.730 247 HG2 GLU 32 2HG GLU 32 7.467 5.225 -17.893 248 HG3 GLU 32 3HG GLU 32 7.263 3.925 -19.064 249 H GLY 33 H GLY 33 6.511 8.223 -21.386 250 HA2 GLY 33 2HA GLY 33 6.459 10.249 -19.414 251 HA3 GLY 33 3HA GLY 33 6.448 10.506 -21.152 252 H ASN 34 H ASN 34 3.974 8.896 -21.457 253 HA ASN 34 HA ASN 34 2.117 11.031 -21.195 254 HB2 ASN 34 2HB ASN 34 2.074 8.254 -22.223 255 HB3 ASN 34 3HB ASN 34 0.524 8.900 -21.691 256 HD21 ASN 34 1HD2 ASN 34 0.066 8.573 -24.013 257 HD22 ASN 34 2HD2 ASN 34 0.437 9.865 -25.099 258 H PHE 35 H PHE 35 2.150 7.791 -19.694 259 HA PHE 35 HA PHE 35 0.077 8.299 -17.875 260 HB2 PHE 35 2HB PHE 35 2.158 6.228 -18.218 261 HB3 PHE 35 3HB PHE 35 1.519 6.396 -16.586 262 HD1 PHE 35 HD1 PHE 35 1.211 4.475 -19.335 263 HD2 PHE 35 HD2 PHE 35 -1.235 6.853 -16.790 264 HE1 PHE 35 HE1 PHE 35 -0.749 3.132 -19.972 265 HE2 PHE 35 HE2 PHE 35 -3.200 5.514 -17.422 266 HZ PHE 35 HZ PHE 35 -2.959 3.651 -19.014 267 H ARG 36 H ARG 36 3.567 8.730 -17.622 268 HA ARG 36 HA ARG 36 3.673 9.315 -14.870 269 HB2 ARG 36 2HB ARG 36 5.461 9.881 -17.206 270 HB3 ARG 36 3HB ARG 36 5.800 10.629 -15.651 271 HG2 ARG 36 2HG ARG 36 6.260 8.602 -14.629 272 HG3 ARG 36 3HG ARG 36 5.383 7.677 -15.849 273 HD2 ARG 36 2HD ARG 36 7.454 7.243 -16.627 274 HD3 ARG 36 3HD ARG 36 7.275 8.824 -17.386 275 HE ARG 36 HE ARG 36 8.327 9.300 -14.884 276 HH11 ARG 36 1HH1 ARG 36 9.254 7.524 -17.731 277 HH12 ARG 36 2HH1 ARG 36 10.953 7.723 -17.460 278 HH21 ARG 36 1HH2 ARG 36 10.562 9.569 -14.517 279 HH22 ARG 36 2HH2 ARG 36 11.696 8.886 -15.631 280 H TRP 37 H TRP 37 3.164 11.356 -17.705 281 HA TRP 37 HA TRP 37 3.267 13.833 -16.343 282 HB2 TRP 37 2HB TRP 37 3.536 13.908 -18.692 283 HB3 TRP 37 3HB TRP 37 2.068 12.976 -18.971 284 HD1 TRP 37 HD1 TRP 37 3.305 16.510 -18.459 285 HE1 TRP 37 HE1 TRP 37 1.345 18.149 -18.760 286 HE3 TRP 37 HE3 TRP 37 -0.546 13.151 -18.609 287 HZ2 TRP 37 HZ2 TRP 37 -1.464 18.034 -19.026 288 HZ3 TRP 37 HZ3 TRP 37 -2.839 13.997 -18.889 289 HH2 TRP 37 HH2 TRP 37 -3.287 16.389 -19.093 290 H ALA 38 H ALA 38 0.652 11.582 -17.055 291 HA ALA 38 HA ALA 38 -1.417 13.307 -16.078 292 HB1 ALA 38 1HB ALA 38 -1.346 10.390 -16.801 293 HB2 ALA 38 2HB ALA 38 -2.792 11.182 -16.176 294 HB3 ALA 38 3HB ALA 38 -2.078 11.722 -17.695 295 H ILE 39 H ILE 39 -0.113 10.219 -14.847 296 HA ILE 39 HA ILE 39 -1.387 10.167 -12.408 297 HB ILE 39 HB ILE 39 0.373 8.723 -11.598 298 HG12 ILE 39 2HG1 ILE 39 2.298 8.423 -13.462 299 HG13 ILE 39 3HG1 ILE 39 1.953 10.138 -13.671 300 HG21 ILE 39 1HG2 ILE 39 -0.530 7.164 -12.890 301 HG22 ILE 39 2HG2 ILE 39 -0.977 8.382 -14.083 302 HG23 ILE 39 3HG2 ILE 39 0.598 7.594 -14.175 303 HD11 ILE 39 1HD1 ILE 39 2.164 9.648 -10.898 304 HD12 ILE 39 2HD1 ILE 39 3.533 8.867 -11.690 305 HD13 ILE 39 3HD1 ILE 39 3.237 10.588 -11.935 306 H ARG 40 H ARG 40 1.439 12.012 -13.365 307 HA ARG 40 HA ARG 40 2.170 12.831 -10.734 308 HB2 ARG 40 2HB ARG 40 3.765 12.840 -12.606 309 HB3 ARG 40 3HB ARG 40 2.819 14.088 -13.406 310 HG2 ARG 40 2HG ARG 40 3.278 15.616 -11.547 311 HG3 ARG 40 3HG ARG 40 4.251 14.365 -10.772 312 HD2 ARG 40 2HD ARG 40 5.367 14.432 -13.241 313 HD3 ARG 40 3HD ARG 40 4.877 16.115 -13.051 314 HE ARG 40 HE ARG 40 6.153 15.452 -10.709 315 HH11 ARG 40 1HH1 ARG 40 6.969 15.503 -14.094 316 HH12 ARG 40 2HH1 ARG 40 8.649 15.826 -13.818 317 HH21 ARG 40 1HH2 ARG 40 8.363 15.876 -10.334 318 HH22 ARG 40 2HH2 ARG 40 9.440 16.037 -11.678 319 H MET 41 H MET 41 0.818 14.748 -13.427 320 HA MET 41 HA MET 41 0.168 17.011 -11.987 321 HB2 MET 41 2HB MET 41 0.070 16.746 -14.479 322 HB3 MET 41 3HB MET 41 -1.453 15.892 -14.277 323 HG2 MET 41 2HG MET 41 -2.487 17.839 -14.396 324 HG3 MET 41 3HG MET 41 -1.755 18.266 -12.852 325 HE1 MET 41 1HE MET 41 -2.856 19.600 -15.430 326 HE2 MET 41 2HE MET 41 -2.000 21.133 -15.267 327 HE3 MET 41 3HE MET 41 -1.682 20.088 -16.653 328 H ALA 42 H ALA 42 -1.495 13.954 -12.151 329 HA ALA 42 HA ALA 42 -3.982 14.812 -11.095 330 HB1 ALA 42 1HB ALA 42 -2.652 12.218 -11.586 331 HB2 ALA 42 2HB ALA 42 -3.946 12.233 -10.386 332 HB3 ALA 42 3HB ALA 42 -4.265 12.772 -12.034 333 H ASN 43 H ASN 43 -1.226 13.147 -9.558 334 HA ASN 43 HA ASN 43 -2.225 13.160 -6.952 335 HB2 ASN 43 2HB ASN 43 0.688 13.354 -7.742 336 HB3 ASN 43 3HB ASN 43 0.040 12.717 -6.233 337 HD21 ASN 43 1HD2 ASN 43 1.767 11.396 -8.103 338 HD22 ASN 43 2HD2 ASN 43 0.925 9.994 -8.660 339 H VAL 44 H VAL 44 -0.041 15.479 -8.540 340 HA VAL 44 HA VAL 44 0.237 17.224 -6.361 341 HB VAL 44 HB VAL 44 0.363 17.897 -9.305 342 HG11 VAL 44 1HG1 VAL 44 0.128 19.877 -7.893 343 HG12 VAL 44 2HG1 VAL 44 1.500 19.350 -6.917 344 HG13 VAL 44 3HG1 VAL 44 1.737 19.791 -8.608 345 HG21 VAL 44 1HG2 VAL 44 2.340 16.879 -9.401 346 HG22 VAL 44 2HG2 VAL 44 2.895 17.684 -7.934 347 HG23 VAL 44 3HG2 VAL 44 1.984 16.179 -7.821 348 H SER 45 H SER 45 -2.142 17.099 -8.965 349 HA SER 45 HA SER 45 -3.414 19.541 -8.507 350 HB2 SER 45 2HB SER 45 -4.153 16.980 -9.816 351 HB3 SER 45 3HB SER 45 -5.481 18.054 -9.377 352 HG SER 45 HG SER 45 -3.214 18.971 -10.796 353 H THR 46 H THR 46 -3.522 16.571 -6.740 354 HA THR 46 HA THR 46 -5.837 17.465 -5.182 355 HB THR 46 HB THR 46 -5.834 15.232 -4.182 356 HG1 THR 46 HG1 THR 46 -3.769 14.539 -4.161 357 HG21 THR 46 1HG2 THR 46 -7.183 14.996 -5.982 358 HG22 THR 46 2HG2 THR 46 -5.870 13.981 -6.582 359 HG23 THR 46 3HG2 THR 46 -5.988 15.664 -7.094 360 H GLY 47 H GLY 47 -2.423 17.331 -5.060 361 HA2 GLY 47 2HA GLY 47 -1.074 18.373 -3.460 362 HA3 GLY 47 3HA GLY 47 -2.460 18.463 -2.384 363 H ARG 48 H ARG 48 -1.891 15.408 -3.813 364 HA ARG 48 HA ARG 48 -1.092 14.351 -1.214 365 HB2 ARG 48 2HB ARG 48 -2.156 13.102 -3.736 366 HB3 ARG 48 3HB ARG 48 -1.447 12.121 -2.459 367 HG2 ARG 48 2HG ARG 48 -3.311 13.872 -1.250 368 HG3 ARG 48 3HG ARG 48 -4.085 13.150 -2.662 369 HD2 ARG 48 2HD ARG 48 -4.548 11.533 -1.125 370 HD3 ARG 48 3HD ARG 48 -2.980 10.953 -1.683 371 HE ARG 48 HE ARG 48 -2.098 11.442 0.378 372 HH11 ARG 48 1HH1 ARG 48 -5.216 12.958 0.063 373 HH12 ARG 48 2HH1 ARG 48 -5.296 13.436 1.727 374 HH21 ARG 48 1HH2 ARG 48 -2.192 12.065 2.569 375 HH22 ARG 48 2HH2 ARG 48 -3.575 12.928 3.151 376 H GLU 49 H GLU 49 0.946 15.778 -2.263 377 HA GLU 49 HA GLU 49 3.176 15.663 -2.704 378 HB2 GLU 49 2HB GLU 49 2.974 12.665 -2.495 379 HB3 GLU 49 3HB GLU 49 4.366 13.686 -2.164 380 HG2 GLU 49 2HG GLU 49 3.010 14.679 -0.270 381 HG3 GLU 49 3HG GLU 49 1.878 13.352 -0.522 382 HA PRO 50 HA PRO 50 3.539 14.975 -7.024 383 HB2 PRO 50 2HB PRO 50 6.233 14.788 -7.296 384 HB3 PRO 50 3HB PRO 50 5.406 16.313 -6.955 385 HG2 PRO 50 2HG PRO 50 6.821 14.464 -5.073 386 HG3 PRO 50 3HG PRO 50 6.871 16.236 -5.151 387 HD2 PRO 50 2HD PRO 50 5.355 14.898 -3.350 388 HD3 PRO 50 3HD PRO 50 4.872 16.466 -4.029 389 H GLY 51 H GLY 51 5.721 12.858 -5.145 390 HA2 GLY 51 2HA GLY 51 5.542 10.790 -7.174 391 HA3 GLY 51 3HA GLY 51 6.502 10.731 -5.704 392 H ASP 52 H ASP 52 3.104 10.730 -6.763 393 HA ASP 52 HA ASP 52 2.474 8.982 -4.486 394 HB2 ASP 52 2HB ASP 52 1.173 11.247 -5.488 395 HB3 ASP 52 3HB ASP 52 0.169 9.890 -5.989 396 H ILE 53 H ILE 53 2.954 6.957 -5.198 397 HA ILE 53 HA ILE 53 1.659 6.068 -7.690 398 HB ILE 53 HB ILE 53 4.046 4.856 -6.288 399 HG12 ILE 53 2HG1 ILE 53 4.621 6.967 -7.353 400 HG13 ILE 53 3HG1 ILE 53 5.298 5.633 -8.281 401 HG21 ILE 53 1HG2 ILE 53 2.472 4.056 -8.708 402 HG22 ILE 53 2HG2 ILE 53 4.168 3.608 -8.539 403 HG23 ILE 53 3HG2 ILE 53 2.992 3.070 -7.342 404 HD11 ILE 53 1HD1 ILE 53 3.264 7.613 -9.018 405 HD12 ILE 53 2HD1 ILE 53 4.436 6.754 -10.016 406 HD13 ILE 53 3HD1 ILE 53 2.936 5.960 -9.538 407 HA PRO 54 HA PRO 54 -0.601 3.970 -4.235 408 HB2 PRO 54 2HB PRO 54 -3.050 4.255 -5.369 409 HB3 PRO 54 3HB PRO 54 -2.310 5.501 -4.357 410 HG2 PRO 54 2HG PRO 54 -2.440 5.315 -7.342 411 HG3 PRO 54 3HG PRO 54 -2.688 6.726 -6.297 412 HD2 PRO 54 2HD PRO 54 -0.364 6.278 -7.614 413 HD3 PRO 54 3HD PRO 54 -0.426 7.085 -6.034 414 H GLU 55 H GLU 55 -1.771 1.970 -4.281 415 HA GLU 55 HA GLU 55 -2.006 0.592 -6.832 416 HB2 GLU 55 2HB GLU 55 0.346 0.239 -5.872 417 HB3 GLU 55 3HB GLU 55 -0.437 -0.710 -4.615 418 HG2 GLU 55 2HG GLU 55 0.254 -2.281 -6.183 419 HG3 GLU 55 3HG GLU 55 -1.464 -2.065 -6.512 420 H THR 56 H THR 56 -4.003 1.484 -5.116 421 HA THR 56 HA THR 56 -5.241 -1.060 -4.402 422 HB THR 56 HB THR 56 -5.920 -0.401 -2.219 423 HG1 THR 56 HG1 THR 56 -5.830 1.639 -1.507 424 HG21 THR 56 1HG2 THR 56 -3.662 -1.285 -2.292 425 HG22 THR 56 2HG2 THR 56 -3.766 -0.028 -1.060 426 HG23 THR 56 3HG2 THR 56 -3.015 0.322 -2.617 427 H LEU 57 H LEU 57 -7.400 -1.119 -4.785 428 HA LEU 57 HA LEU 57 -8.604 0.674 -6.499 429 HB2 LEU 57 2HB LEU 57 -9.284 -1.724 -5.607 430 HB3 LEU 57 3HB LEU 57 -10.326 -0.770 -4.553 431 HG LEU 57 HG LEU 57 -11.516 -1.569 -6.532 432 HD11 LEU 57 1HD1 LEU 57 -11.907 0.718 -5.416 433 HD12 LEU 57 2HD1 LEU 57 -12.638 0.411 -6.991 434 HD13 LEU 57 3HD1 LEU 57 -11.172 1.386 -6.874 435 HD21 LEU 57 1HD2 LEU 57 -10.403 0.168 -8.505 436 HD22 LEU 57 2HD2 LEU 57 -10.584 -1.587 -8.545 437 HD23 LEU 57 3HD2 LEU 57 -9.128 -0.864 -7.857 438 H ASP 58 H ASP 58 -8.480 0.709 -3.000 439 HA ASP 58 HA ASP 58 -10.461 2.719 -2.630 440 HB2 ASP 58 2HB ASP 58 -9.989 1.347 -0.755 441 HB3 ASP 58 3HB ASP 58 -8.257 1.646 -0.877 442 H GLN 59 H GLN 59 -6.955 2.759 -3.007 443 HA GLN 59 HA GLN 59 -6.560 5.482 -2.403 444 HB2 GLN 59 2HB GLN 59 -4.998 3.352 -3.766 445 HB3 GLN 59 3HB GLN 59 -4.512 5.016 -4.059 446 HG2 GLN 59 2HG GLN 59 -4.466 5.294 -1.541 447 HG3 GLN 59 3HG GLN 59 -4.598 3.538 -1.451 448 HE21 GLN 59 1HE2 GLN 59 -2.946 2.316 -2.682 449 HE22 GLN 59 2HE2 GLN 59 -1.335 2.939 -2.709 450 H LEU 60 H LEU 60 -6.973 3.813 -5.516 451 HA LEU 60 HA LEU 60 -6.813 6.122 -7.121 452 HB2 LEU 60 2HB LEU 60 -8.372 3.628 -7.752 453 HB3 LEU 60 3HB LEU 60 -7.678 4.778 -8.893 454 HG LEU 60 HG LEU 60 -5.783 3.401 -7.085 455 HD11 LEU 60 1HD1 LEU 60 -7.696 1.931 -8.636 456 HD12 LEU 60 2HD1 LEU 60 -6.413 1.336 -7.583 457 HD13 LEU 60 3HD1 LEU 60 -6.072 1.684 -9.278 458 HD21 LEU 60 1HD2 LEU 60 -5.856 4.625 -9.761 459 HD22 LEU 60 2HD2 LEU 60 -4.826 3.202 -9.602 460 HD23 LEU 60 3HD2 LEU 60 -4.569 4.600 -8.556 461 H ARG 61 H ARG 61 -9.484 4.577 -5.449 462 HA ARG 61 HA ARG 61 -11.614 5.906 -6.685 463 HB2 ARG 61 2HB ARG 61 -11.836 3.961 -5.148 464 HB3 ARG 61 3HB ARG 61 -11.442 5.019 -3.800 465 HG2 ARG 61 2HG ARG 61 -13.438 6.390 -4.378 466 HG3 ARG 61 3HG ARG 61 -13.859 5.171 -5.584 467 HD2 ARG 61 2HD ARG 61 -13.505 3.592 -3.440 468 HD3 ARG 61 3HD ARG 61 -14.027 5.071 -2.636 469 HE ARG 61 HE ARG 61 -15.766 4.520 -4.772 470 HH11 ARG 61 1HH1 ARG 61 -14.898 3.301 -1.629 471 HH12 ARG 61 2HH1 ARG 61 -16.462 2.623 -1.317 472 HH21 ARG 61 1HH2 ARG 61 -17.828 3.631 -4.373 473 HH22 ARG 61 2HH2 ARG 61 -18.128 2.810 -2.878 474 H LEU 62 H LEU 62 -9.897 6.730 -3.670 475 HA LEU 62 HA LEU 62 -11.255 9.131 -3.175 476 HB2 LEU 62 2HB LEU 62 -9.199 7.659 -1.985 477 HB3 LEU 62 3HB LEU 62 -8.507 9.247 -2.311 478 HG LEU 62 HG LEU 62 -9.352 9.244 -0.079 479 HD11 LEU 62 1HD1 LEU 62 -9.892 11.167 -1.798 480 HD12 LEU 62 2HD1 LEU 62 -10.511 11.207 -0.148 481 HD13 LEU 62 3HD1 LEU 62 -11.554 10.677 -1.467 482 HD21 LEU 62 1HD2 LEU 62 -11.508 7.702 -1.272 483 HD22 LEU 62 2HD2 LEU 62 -12.094 8.982 -0.209 484 HD23 LEU 62 3HD2 LEU 62 -10.960 7.776 0.403 485 H VAL 63 H VAL 63 -8.348 8.441 -5.054 486 HA VAL 63 HA VAL 63 -7.607 11.119 -5.554 487 HB VAL 63 HB VAL 63 -7.071 8.666 -7.236 488 HG11 VAL 63 1HG1 VAL 63 -4.971 10.352 -7.625 489 HG12 VAL 63 2HG1 VAL 63 -6.353 10.199 -8.713 490 HG13 VAL 63 3HG1 VAL 63 -6.316 11.487 -7.508 491 HG21 VAL 63 1HG2 VAL 63 -6.227 9.212 -4.659 492 HG22 VAL 63 2HG2 VAL 63 -5.486 8.072 -5.781 493 HG23 VAL 63 3HG2 VAL 63 -4.870 9.719 -5.665 494 H ILE 64 H ILE 64 -9.248 8.780 -7.695 495 HA ILE 64 HA ILE 64 -9.818 10.475 -9.796 496 HB ILE 64 HB ILE 64 -11.493 8.191 -8.752 497 HG12 ILE 64 2HG1 ILE 64 -9.646 8.185 -11.131 498 HG13 ILE 64 3HG1 ILE 64 -9.063 7.815 -9.512 499 HG21 ILE 64 1HG2 ILE 64 -11.664 9.775 -11.300 500 HG22 ILE 64 2HG2 ILE 64 -12.332 8.150 -11.147 501 HG23 ILE 64 3HG2 ILE 64 -12.936 9.450 -10.121 502 HD11 ILE 64 1HD1 ILE 64 -11.256 6.335 -10.946 503 HD12 ILE 64 2HD1 ILE 64 -9.579 5.804 -10.806 504 HD13 ILE 64 3HD1 ILE 64 -10.585 5.942 -9.364 505 H CYS 65 H CYS 65 -11.415 10.188 -6.702 506 HA CYS 65 HA CYS 65 -13.780 11.594 -7.356 507 HB2 CYS 65 2HB CYS 65 -13.344 10.145 -5.303 508 HB3 CYS 65 3HB CYS 65 -12.492 11.528 -4.630 509 HG CYS 65 HG CYS 65 -14.924 11.590 -3.405 510 H ASP 66 H ASP 66 -10.949 12.703 -5.485 511 HA ASP 66 HA ASP 66 -11.662 15.403 -5.421 512 HB2 ASP 66 2HB ASP 66 -9.049 13.951 -5.135 513 HB3 ASP 66 3HB ASP 66 -9.093 15.711 -5.134 514 H LEU 67 H LEU 67 -9.668 13.610 -7.735 515 HA LEU 67 HA LEU 67 -8.836 15.795 -9.282 516 HB2 LEU 67 2HB LEU 67 -8.646 12.968 -9.381 517 HB3 LEU 67 3HB LEU 67 -9.213 13.523 -10.954 518 HG LEU 67 HG LEU 67 -7.187 15.190 -10.726 519 HD11 LEU 67 1HD1 LEU 67 -5.919 14.862 -8.936 520 HD12 LEU 67 2HD1 LEU 67 -5.473 13.293 -9.608 521 HD13 LEU 67 3HD1 LEU 67 -6.828 13.419 -8.487 522 HD21 LEU 67 1HD2 LEU 67 -6.388 12.388 -11.326 523 HD22 LEU 67 2HD2 LEU 67 -6.076 13.871 -12.229 524 HD23 LEU 67 3HD2 LEU 67 -7.673 13.122 -12.284 525 H GLN 68 H GLN 68 -11.533 13.529 -9.834 526 HA GLN 68 HA GLN 68 -12.576 14.648 -12.128 527 HB2 GLN 68 2HB GLN 68 -13.423 12.558 -11.291 528 HB3 GLN 68 3HB GLN 68 -14.001 13.325 -9.818 529 HG2 GLN 68 2HG GLN 68 -15.652 14.570 -11.081 530 HG3 GLN 68 3HG GLN 68 -15.046 13.879 -12.585 531 HE21 GLN 68 1HE2 GLN 68 -17.618 13.561 -12.196 532 HE22 GLN 68 2HE2 GLN 68 -18.011 11.951 -11.709 533 H GLU 69 H GLU 69 -12.940 15.695 -8.798 534 HA GLU 69 HA GLU 69 -15.037 17.534 -9.193 535 HB2 GLU 69 2HB GLU 69 -13.560 16.637 -7.031 536 HB3 GLU 69 3HB GLU 69 -13.106 18.332 -7.155 537 HG2 GLU 69 2HG GLU 69 -15.591 18.837 -7.233 538 HG3 GLU 69 3HG GLU 69 -15.836 17.165 -6.732 539 H ARG 70 H ARG 70 -11.525 18.107 -8.932 540 HA ARG 70 HA ARG 70 -11.663 20.839 -9.628 541 HB2 ARG 70 2HB ARG 70 -9.314 18.966 -9.962 542 HB3 ARG 70 3HB ARG 70 -9.250 20.721 -9.876 543 HG2 ARG 70 2HG ARG 70 -10.279 20.476 -7.555 544 HG3 ARG 70 3HG ARG 70 -9.868 18.765 -7.690 545 HD2 ARG 70 2HD ARG 70 -7.703 19.153 -7.300 546 HD3 ARG 70 3HD ARG 70 -7.661 20.508 -8.426 547 HE ARG 70 HE ARG 70 -7.848 21.921 -6.646 548 HH11 ARG 70 1HH1 ARG 70 -8.937 18.759 -5.677 549 HH12 ARG 70 2HH1 ARG 70 -9.141 19.197 -4.014 550 HH21 ARG 70 1HH2 ARG 70 -8.112 22.509 -4.459 551 HH22 ARG 70 2HH2 ARG 70 -8.672 21.330 -3.321 552 H ARG 71 H ARG 71 -10.670 18.006 -11.553 553 HA ARG 71 HA ARG 71 -10.182 19.254 -13.958 554 HB2 ARG 71 2HB ARG 71 -11.134 16.523 -13.213 555 HB3 ARG 71 3HB ARG 71 -11.143 16.984 -14.910 556 HG2 ARG 71 2HG ARG 71 -9.096 15.900 -14.570 557 HG3 ARG 71 3HG ARG 71 -8.708 17.621 -14.599 558 HD2 ARG 71 2HD ARG 71 -8.801 17.606 -12.104 559 HD3 ARG 71 3HD ARG 71 -8.990 15.855 -12.173 560 HE ARG 71 HE ARG 71 -6.755 15.660 -12.665 561 HH11 ARG 71 1HH1 ARG 71 -7.738 18.983 -13.006 562 HH12 ARG 71 2HH1 ARG 71 -6.121 19.578 -13.188 563 HH21 ARG 71 1HH2 ARG 71 -4.623 16.432 -12.903 564 HH22 ARG 71 2HH2 ARG 71 -4.350 18.125 -13.130 565 H GLU 72 H GLU 72 -13.269 18.312 -12.556 566 HA GLU 72 HA GLU 72 -14.835 18.835 -14.866 567 HB2 GLU 72 2HB GLU 72 -15.685 17.407 -13.101 568 HB3 GLU 72 3HB GLU 72 -15.588 18.725 -11.942 569 HG2 GLU 72 2HG GLU 72 -17.866 18.444 -12.590 570 HG3 GLU 72 3HG GLU 72 -17.273 19.958 -13.271 571 H LYS 73 H LYS 73 -14.614 20.669 -11.813 572 HA LYS 73 HA LYS 73 -15.974 22.933 -12.655 573 HB2 LYS 73 2HB LYS 73 -14.284 22.189 -10.429 574 HB3 LYS 73 3HB LYS 73 -13.982 23.855 -10.907 575 HG2 LYS 73 2HG LYS 73 -15.654 24.017 -9.299 576 HG3 LYS 73 3HG LYS 73 -16.523 24.144 -10.830 577 HD2 LYS 73 2HD LYS 73 -17.787 22.656 -9.510 578 HD3 LYS 73 3HD LYS 73 -16.903 21.636 -10.648 579 HE2 LYS 73 2HE LYS 73 -15.855 20.575 -8.995 580 HE3 LYS 73 3HE LYS 73 -15.368 22.095 -8.246 581 HZ1 LYS 73 1HZ LYS 73 -17.024 20.386 -7.094 582 HZ2 LYS 73 2HZ LYS 73 -18.157 21.328 -7.925 583 HZ3 LYS 73 3HZ LYS 73 -17.099 22.054 -6.822 584 H PHE 74 H PHE 74 -12.724 21.919 -13.325 585 HA PHE 74 HA PHE 74 -11.770 24.475 -14.189 586 HB2 PHE 74 2HB PHE 74 -10.746 21.678 -14.223 587 HB3 PHE 74 3HB PHE 74 -10.038 22.817 -15.364 588 HD1 PHE 74 HD1 PHE 74 -7.939 23.359 -14.590 589 HD2 PHE 74 HD2 PHE 74 -11.197 23.262 -11.852 590 HE1 PHE 74 HE1 PHE 74 -6.471 24.225 -12.816 591 HE2 PHE 74 HE2 PHE 74 -9.734 24.128 -10.075 592 HZ PHE 74 HZ PHE 74 -7.367 24.611 -10.555 593 H GLY 75 H GLY 75 -13.172 21.648 -15.766 594 HA2 GLY 75 2HA GLY 75 -14.605 22.349 -17.730 595 HA3 GLY 75 3HA GLY 75 -13.150 23.142 -18.314 596 H SER 76 H SER 76 -13.709 21.727 -20.206 597 HA SER 76 HA SER 76 -12.586 19.027 -19.838 598 HB2 SER 76 2HB SER 76 -14.544 19.984 -21.941 599 HB3 SER 76 3HB SER 76 -13.890 18.351 -21.818 600 HG SER 76 HG SER 76 -14.910 18.163 -19.795 601 H SER 77 H SER 77 -10.468 20.026 -20.073 602 HA SER 77 HA SER 77 -9.832 20.942 -22.785 603 HB2 SER 77 2HB SER 77 -7.926 21.977 -21.907 604 HB3 SER 77 3HB SER 77 -9.108 22.177 -20.615 605 HG SER 77 HG SER 77 -7.475 21.343 -19.522 606 H LYS 78 H LYS 78 -7.503 20.246 -23.467 607 HA LYS 78 HA LYS 78 -7.570 17.472 -23.951 608 HB2 LYS 78 2HB LYS 78 -5.728 19.707 -24.538 609 HB3 LYS 78 3HB LYS 78 -4.997 18.107 -24.515 610 HG2 LYS 78 2HG LYS 78 -7.092 17.542 -26.036 611 HG3 LYS 78 3HG LYS 78 -6.977 19.267 -26.389 612 HD2 LYS 78 2HD LYS 78 -4.378 18.517 -26.602 613 HD3 LYS 78 3HD LYS 78 -5.196 17.053 -27.151 614 HE2 LYS 78 2HE LYS 78 -6.560 18.577 -28.666 615 HE3 LYS 78 3HE LYS 78 -5.387 19.834 -28.278 616 HZ1 LYS 78 1HZ LYS 78 -5.104 18.223 -30.338 617 HZ2 LYS 78 2HZ LYS 78 -4.333 17.267 -29.175 618 HZ3 LYS 78 3HZ LYS 78 -3.776 18.833 -29.487 619 H GLU 79 H GLU 79 -5.740 19.434 -21.653 620 HA GLU 79 HA GLU 79 -4.229 17.203 -20.656 621 HB2 GLU 79 2HB GLU 79 -4.597 20.019 -19.632 622 HB3 GLU 79 3HB GLU 79 -3.540 18.836 -18.875 623 HG2 GLU 79 2HG GLU 79 -1.997 19.839 -20.170 624 HG3 GLU 79 3HG GLU 79 -2.601 18.695 -21.367 625 H ILE 80 H ILE 80 -6.959 19.139 -19.476 626 HA ILE 80 HA ILE 80 -7.279 17.831 -17.013 627 HB ILE 80 HB ILE 80 -9.238 19.333 -18.740 628 HG12 ILE 80 2HG1 ILE 80 -7.333 20.538 -17.606 629 HG13 ILE 80 3HG1 ILE 80 -8.938 21.109 -17.166 630 HG21 ILE 80 1HG2 ILE 80 -10.353 19.291 -16.243 631 HG22 ILE 80 2HG2 ILE 80 -10.863 18.297 -17.606 632 HG23 ILE 80 3HG2 ILE 80 -9.741 17.646 -16.411 633 HD11 ILE 80 1HD1 ILE 80 -7.113 20.729 -15.346 634 HD12 ILE 80 2HD1 ILE 80 -8.793 20.286 -15.034 635 HD13 ILE 80 3HD1 ILE 80 -7.621 19.044 -15.476 636 H ASP 81 H ASP 81 -8.584 17.142 -20.218 637 HA ASP 81 HA ASP 81 -10.266 15.003 -19.312 638 HB2 ASP 81 2HB ASP 81 -10.585 16.436 -21.415 639 HB3 ASP 81 3HB ASP 81 -9.341 15.428 -22.149 640 H MET 82 H MET 82 -7.024 15.294 -20.616 641 HA MET 82 HA MET 82 -6.644 12.499 -21.060 642 HB2 MET 82 2HB MET 82 -5.310 14.103 -22.286 643 HB3 MET 82 3HB MET 82 -4.667 14.769 -20.791 644 HG2 MET 82 2HG MET 82 -3.565 12.629 -20.327 645 HG3 MET 82 3HG MET 82 -4.184 11.995 -21.851 646 HE1 MET 82 1HE MET 82 -0.659 12.175 -21.381 647 HE2 MET 82 2HE MET 82 -1.934 11.226 -22.148 648 HE3 MET 82 3HE MET 82 -0.777 12.115 -23.140 649 H ALA 83 H ALA 83 -6.053 14.700 -18.389 650 HA ALA 83 HA ALA 83 -4.503 12.877 -16.838 651 HB1 ALA 83 1HB ALA 83 -6.056 15.293 -15.915 652 HB2 ALA 83 2HB ALA 83 -4.769 14.468 -15.033 653 HB3 ALA 83 3HB ALA 83 -4.404 15.319 -16.534 654 H ILE 84 H ILE 84 -7.918 13.852 -16.801 655 HA ILE 84 HA ILE 84 -8.647 12.203 -14.612 656 HB ILE 84 HB ILE 84 -10.028 14.098 -15.255 657 HG12 ILE 84 2HG1 ILE 84 -11.500 11.486 -15.660 658 HG13 ILE 84 3HG1 ILE 84 -11.072 12.174 -14.099 659 HG21 ILE 84 1HG2 ILE 84 -11.127 14.332 -17.285 660 HG22 ILE 84 2HG2 ILE 84 -9.562 13.670 -17.758 661 HG23 ILE 84 3HG2 ILE 84 -10.976 12.619 -17.678 662 HD11 ILE 84 1HD1 ILE 84 -12.416 14.239 -15.097 663 HD12 ILE 84 2HD1 ILE 84 -13.203 12.938 -15.992 664 HD13 ILE 84 3HD1 ILE 84 -13.197 12.918 -14.228 665 H VAL 85 H VAL 85 -8.820 11.775 -18.127 666 HA VAL 85 HA VAL 85 -10.117 9.261 -18.068 667 HB VAL 85 HB VAL 85 -9.898 10.811 -20.066 668 HG11 VAL 85 1HG1 VAL 85 -7.226 9.439 -20.339 669 HG12 VAL 85 2HG1 VAL 85 -7.954 10.564 -21.487 670 HG13 VAL 85 3HG1 VAL 85 -7.457 11.129 -19.892 671 HG21 VAL 85 1HG2 VAL 85 -9.508 8.755 -21.642 672 HG22 VAL 85 2HG2 VAL 85 -9.515 7.852 -20.126 673 HG23 VAL 85 3HG2 VAL 85 -10.920 8.816 -20.585 674 H THR 86 H THR 86 -6.787 10.237 -17.757 675 HA THR 86 HA THR 86 -5.676 7.636 -18.216 676 HB THR 86 HB THR 86 -4.532 10.179 -17.071 677 HG1 THR 86 HG1 THR 86 -3.424 10.189 -19.026 678 HG21 THR 86 1HG2 THR 86 -2.354 8.634 -17.563 679 HG22 THR 86 2HG2 THR 86 -3.481 7.433 -16.930 680 HG23 THR 86 3HG2 THR 86 -3.074 8.855 -15.969 681 H LEU 87 H LEU 87 -6.035 9.645 -15.288 682 HA LEU 87 HA LEU 87 -5.134 7.808 -13.426 683 HB2 LEU 87 2HB LEU 87 -6.031 10.314 -13.271 684 HB3 LEU 87 3HB LEU 87 -7.466 9.480 -12.679 685 HG LEU 87 HG LEU 87 -6.075 10.239 -10.836 686 HD11 LEU 87 1HD1 LEU 87 -5.610 7.312 -10.794 687 HD12 LEU 87 2HD1 LEU 87 -7.268 7.874 -11.002 688 HD13 LEU 87 3HD1 LEU 87 -6.343 8.364 -9.582 689 HD21 LEU 87 1HD2 LEU 87 -3.919 8.328 -11.616 690 HD22 LEU 87 2HD2 LEU 87 -3.845 9.737 -10.559 691 HD23 LEU 87 3HD2 LEU 87 -3.939 9.950 -12.308 692 H LYS 88 H LYS 88 -8.255 8.041 -14.999 693 HA LYS 88 HA LYS 88 -9.573 6.157 -13.301 694 HB2 LYS 88 2HB LYS 88 -10.291 7.888 -15.443 695 HB3 LYS 88 3HB LYS 88 -10.806 6.262 -15.872 696 HG2 LYS 88 2HG LYS 88 -12.512 6.350 -14.460 697 HG3 LYS 88 3HG LYS 88 -11.470 6.866 -13.132 698 HD2 LYS 88 2HD LYS 88 -11.924 9.069 -13.453 699 HD3 LYS 88 3HD LYS 88 -12.100 8.889 -15.200 700 HE2 LYS 88 2HE LYS 88 -14.217 7.444 -14.282 701 HE3 LYS 88 3HE LYS 88 -14.107 8.714 -13.065 702 HZ1 LYS 88 1HZ LYS 88 -13.826 10.036 -15.430 703 HZ2 LYS 88 2HZ LYS 88 -15.235 9.957 -14.500 704 HZ3 LYS 88 3HZ LYS 88 -15.003 8.871 -15.776 705 H VAL 89 H VAL 89 -8.801 5.892 -16.774 706 HA VAL 89 HA VAL 89 -9.140 3.169 -17.033 707 HB VAL 89 HB VAL 89 -8.766 4.723 -18.927 708 HG11 VAL 89 1HG1 VAL 89 -5.822 4.475 -18.397 709 HG12 VAL 89 2HG1 VAL 89 -6.660 5.567 -19.501 710 HG13 VAL 89 3HG1 VAL 89 -6.768 5.819 -17.759 711 HG21 VAL 89 1HG2 VAL 89 -8.474 2.833 -20.055 712 HG22 VAL 89 2HG2 VAL 89 -6.740 2.934 -19.741 713 HG23 VAL 89 3HG2 VAL 89 -7.788 2.055 -18.628 714 H PHE 90 H PHE 90 -6.388 4.930 -15.769 715 HA PHE 90 HA PHE 90 -4.571 2.745 -15.767 716 HB2 PHE 90 2HB PHE 90 -3.975 5.205 -15.609 717 HB3 PHE 90 3HB PHE 90 -4.489 5.138 -13.927 718 HD1 PHE 90 HD1 PHE 90 -2.853 4.834 -12.356 719 HD2 PHE 90 HD2 PHE 90 -2.284 3.228 -16.257 720 HE1 PHE 90 HE1 PHE 90 -0.615 4.050 -11.703 721 HE2 PHE 90 HE2 PHE 90 -0.045 2.440 -15.609 722 HZ PHE 90 HZ PHE 90 0.792 2.849 -13.330 723 H ALA 91 H ALA 91 -6.767 4.101 -13.347 724 HA ALA 91 HA ALA 91 -5.991 2.533 -11.166 725 HB1 ALA 91 1HB ALA 91 -8.165 3.073 -10.208 726 HB2 ALA 91 2HB ALA 91 -7.441 4.493 -10.964 727 HB3 ALA 91 3HB ALA 91 -8.736 3.620 -11.784 728 H VAL 92 H VAL 92 -8.367 1.917 -13.718 729 HA VAL 92 HA VAL 92 -9.151 -0.622 -12.608 730 HB VAL 92 HB VAL 92 -10.764 0.683 -13.892 731 HG11 VAL 92 1HG1 VAL 92 -9.061 1.665 -15.449 732 HG12 VAL 92 2HG1 VAL 92 -9.080 0.135 -16.328 733 HG13 VAL 92 3HG1 VAL 92 -10.544 1.113 -16.224 734 HG21 VAL 92 1HG2 VAL 92 -10.630 -1.458 -15.803 735 HG22 VAL 92 2HG2 VAL 92 -10.218 -2.051 -14.193 736 HG23 VAL 92 3HG2 VAL 92 -11.753 -1.226 -14.462 737 H ALA 93 H ALA 93 -7.147 0.484 -15.310 738 HA ALA 93 HA ALA 93 -6.542 -2.120 -16.281 739 HB1 ALA 93 1HB ALA 93 -6.365 -0.184 -17.725 740 HB2 ALA 93 2HB ALA 93 -5.103 0.496 -16.698 741 HB3 ALA 93 3HB ALA 93 -4.801 -0.989 -17.600 742 H GLY 94 H GLY 94 -5.575 -0.496 -13.511 743 HA2 GLY 94 2HA GLY 94 -2.999 -1.914 -13.386 744 HA3 GLY 94 3HA GLY 94 -3.464 -0.557 -12.371 745 H LEU 95 H LEU 95 -5.417 -1.008 -10.935 746 HA LEU 95 HA LEU 95 -4.802 -3.141 -9.218 747 HB2 LEU 95 2HB LEU 95 -6.972 -1.141 -9.443 748 HB3 LEU 95 3HB LEU 95 -7.311 -2.573 -8.474 749 HG LEU 95 HG LEU 95 -6.517 -0.613 -7.164 750 HD11 LEU 95 1HD1 LEU 95 -6.027 -2.279 -5.777 751 HD12 LEU 95 2HD1 LEU 95 -4.372 -2.182 -6.376 752 HD13 LEU 95 3HD1 LEU 95 -5.505 -3.323 -7.098 753 HD21 LEU 95 1HD2 LEU 95 -3.799 -1.135 -8.320 754 HD22 LEU 95 2HD2 LEU 95 -4.348 0.229 -7.347 755 HD23 LEU 95 3HD2 LEU 95 -4.882 0.067 -9.020 756 H LEU 96 H LEU 96 -7.103 -2.843 -11.851 757 HA LEU 96 HA LEU 96 -8.090 -5.555 -11.328 758 HB2 LEU 96 2HB LEU 96 -9.278 -3.162 -12.319 759 HB3 LEU 96 3HB LEU 96 -9.373 -4.395 -13.573 760 HG LEU 96 HG LEU 96 -10.280 -5.828 -11.504 761 HD11 LEU 96 1HD1 LEU 96 -11.621 -4.549 -10.021 762 HD12 LEU 96 2HD1 LEU 96 -11.301 -3.060 -10.909 763 HD13 LEU 96 3HD1 LEU 96 -10.007 -3.837 -9.996 764 HD21 LEU 96 1HD2 LEU 96 -11.466 -4.276 -13.662 765 HD22 LEU 96 2HD2 LEU 96 -12.574 -4.539 -12.314 766 HD23 LEU 96 3HD2 LEU 96 -11.819 -5.916 -13.118 767 H ASN 97 H ASN 97 -5.662 -4.124 -12.993 768 HA ASN 97 HA ASN 97 -4.387 -4.653 -14.807 769 HB2 ASN 97 2HB ASN 97 -5.392 -7.475 -14.519 770 HB3 ASN 97 3HB ASN 97 -3.785 -6.919 -14.980 771 HD21 ASN 97 1HD2 ASN 97 -5.616 -8.172 -12.529 772 HD22 ASN 97 2HD2 ASN 97 -4.596 -7.778 -11.191 773 H MET 98 H MET 98 -7.151 -3.868 -15.328 774 HA MET 98 HA MET 98 -8.206 -5.473 -17.431 775 HB2 MET 98 2HB MET 98 -8.900 -2.990 -16.073 776 HB3 MET 98 3HB MET 98 -9.234 -2.922 -17.799 777 HG2 MET 98 2HG MET 98 -10.125 -5.329 -16.320 778 HG3 MET 98 3HG MET 98 -10.995 -3.822 -16.042 779 HE1 MET 98 1HE MET 98 -13.147 -6.089 -18.561 780 HE2 MET 98 2HE MET 98 -12.030 -6.682 -17.331 781 HE3 MET 98 3HE MET 98 -13.139 -5.363 -16.953 782 H THR 99 H THR 99 -7.287 -5.717 -19.350 783 HA THR 99 HA THR 99 -5.462 -3.710 -20.387 784 HB THR 99 HB THR 99 -6.237 -6.194 -21.883 785 HG1 THR 99 HG1 THR 99 -5.230 -7.428 -20.479 786 HG21 THR 99 1HG2 THR 99 -3.434 -5.355 -21.678 787 HG22 THR 99 2HG2 THR 99 -4.493 -4.164 -22.432 788 HG23 THR 99 3HG2 THR 99 -4.384 -5.794 -23.096 789 H VAL 100 H VAL 100 -7.797 -2.483 -20.329 790 HA VAL 100 HA VAL 100 -9.642 -2.790 -22.353 791 HB VAL 100 HB VAL 100 -9.925 -0.269 -22.220 792 HG11 VAL 100 1HG1 VAL 100 -10.828 -2.234 -20.627 793 HG12 VAL 100 2HG1 VAL 100 -9.979 -1.246 -19.435 794 HG13 VAL 100 3HG1 VAL 100 -11.262 -0.538 -20.418 795 HG21 VAL 100 1HG2 VAL 100 -8.312 -0.136 -19.784 796 HG22 VAL 100 2HG2 VAL 100 -7.364 -0.310 -21.261 797 HG23 VAL 100 3HG2 VAL 100 -8.491 1.034 -21.091 798 H SER 101 H SER 101 -9.936 -1.222 -24.235 799 HA SER 101 HA SER 101 -7.563 -1.418 -25.905 800 HB2 SER 101 2HB SER 101 -10.064 -0.245 -26.992 801 HB3 SER 101 3HB SER 101 -8.975 -1.437 -27.702 802 HG SER 101 HG SER 101 -9.891 -2.822 -25.886 803 H THR 102 H THR 102 -9.724 1.044 -24.597 804 HA THR 102 HA THR 102 -7.670 3.059 -25.133 805 HB THR 102 HB THR 102 -9.160 4.639 -26.094 806 HG1 THR 102 HG1 THR 102 -11.399 4.184 -26.310 807 HG21 THR 102 1HG2 THR 102 -9.716 3.638 -28.164 808 HG22 THR 102 2HG2 THR 102 -9.940 2.053 -27.424 809 HG23 THR 102 3HG2 THR 102 -8.323 2.740 -27.562 810 H ALA 103 H ALA 103 -7.933 5.012 -23.856 811 HA ALA 103 HA ALA 103 -8.569 4.482 -21.170 812 HB1 ALA 103 1HB ALA 103 -6.954 6.217 -22.081 813 HB2 ALA 103 2HB ALA 103 -8.366 7.239 -22.351 814 HB3 ALA 103 3HB ALA 103 -7.959 6.710 -20.718 815 H ALA 104 H ALA 104 -10.409 5.930 -23.780 816 HA ALA 104 HA ALA 104 -12.481 7.047 -22.220 817 HB1 ALA 104 1HB ALA 104 -11.852 7.297 -24.773 818 HB2 ALA 104 2HB ALA 104 -13.068 6.031 -24.950 819 HB3 ALA 104 3HB ALA 104 -13.497 7.566 -24.195 820 H ALA 105 H ALA 105 -12.138 3.897 -23.815 821 HA ALA 105 HA ALA 105 -14.690 2.901 -23.204 822 HB1 ALA 105 1HB ALA 105 -12.074 1.533 -23.768 823 HB2 ALA 105 2HB ALA 105 -13.572 0.643 -23.489 824 HB3 ALA 105 3HB ALA 105 -13.449 1.759 -24.849 825 H ALA 106 H ALA 106 -11.596 2.503 -21.490 826 HA ALA 106 HA ALA 106 -12.660 0.966 -19.366 827 HB1 ALA 106 1HB ALA 106 -10.134 1.729 -20.188 828 HB2 ALA 106 2HB ALA 106 -10.332 2.534 -18.630 829 HB3 ALA 106 3HB ALA 106 -10.526 0.785 -18.749 830 H GLU 107 H GLU 107 -11.788 4.417 -19.572 831 HA GLU 107 HA GLU 107 -12.569 5.142 -16.995 832 HB2 GLU 107 2HB GLU 107 -11.251 6.619 -18.408 833 HB3 GLU 107 3HB GLU 107 -12.590 6.781 -19.535 834 HG2 GLU 107 2HG GLU 107 -13.435 7.498 -16.889 835 HG3 GLU 107 3HG GLU 107 -11.991 8.404 -17.340 836 H ASN 108 H ASN 108 -14.440 4.854 -19.963 837 HA ASN 108 HA ASN 108 -16.805 6.074 -19.078 838 HB2 ASN 108 2HB ASN 108 -16.608 5.669 -21.403 839 HB3 ASN 108 3HB ASN 108 -16.258 3.960 -21.156 840 HD21 ASN 108 1HD2 ASN 108 -17.914 2.531 -20.869 841 HD22 ASN 108 2HD2 ASN 108 -19.577 2.954 -21.066 842 H MET 109 H MET 109 -15.970 2.607 -19.190 843 HA MET 109 HA MET 109 -18.289 1.761 -17.806 844 HB2 MET 109 2HB MET 109 -17.159 -0.395 -17.610 845 HB3 MET 109 3HB MET 109 -16.976 0.257 -19.233 846 HG2 MET 109 2HG MET 109 -14.735 0.620 -18.991 847 HG3 MET 109 3HG MET 109 -14.844 0.809 -17.243 848 HE1 MET 109 1HE MET 109 -15.003 -2.016 -15.577 849 HE2 MET 109 2HE MET 109 -13.291 -1.982 -16.002 850 HE3 MET 109 3HE MET 109 -14.175 -0.471 -15.777 851 H TYR 110 H TYR 110 -15.286 3.083 -16.763 852 HA TYR 110 HA TYR 110 -15.192 2.016 -14.149 853 HB2 TYR 110 2HB TYR 110 -13.337 3.231 -15.415 854 HB3 TYR 110 3HB TYR 110 -14.138 4.727 -14.949 855 HD1 TYR 110 HD1 TYR 110 -11.627 2.475 -14.067 856 HD2 TYR 110 HD2 TYR 110 -14.696 4.860 -12.336 857 HE1 TYR 110 HE1 TYR 110 -10.436 2.435 -11.915 858 HE2 TYR 110 HE2 TYR 110 -13.514 4.827 -10.179 859 HH TYR 110 HH TYR 110 -10.401 3.153 -9.816 860 H SER 111 H SER 111 -16.470 5.091 -15.397 861 HA SER 111 HA SER 111 -17.607 5.743 -12.808 862 HB2 SER 111 2HB SER 111 -16.743 7.242 -15.021 863 HB3 SER 111 3HB SER 111 -18.490 7.469 -14.956 864 HG SER 111 HG SER 111 -18.275 8.580 -13.177 865 H GLN 112 H GLN 112 -18.607 4.398 -15.845 866 HA GLN 112 HA GLN 112 -21.364 4.880 -15.714 867 HB2 GLN 112 2HB GLN 112 -20.248 4.049 -17.732 868 HB3 GLN 112 3HB GLN 112 -19.901 2.526 -16.924 869 HG2 GLN 112 2HG GLN 112 -21.980 1.736 -17.227 870 HG3 GLN 112 3HG GLN 112 -22.732 3.308 -16.962 871 HE21 GLN 112 1HE2 GLN 112 -22.443 0.987 -19.154 872 HE22 GLN 112 2HE2 GLN 112 -22.525 1.904 -20.616 873 H MET 113 H MET 113 -19.451 2.120 -14.544 874 HA MET 113 HA MET 113 -21.802 1.014 -13.225 875 HB2 MET 113 2HB MET 113 -20.524 -0.946 -12.862 876 HB3 MET 113 3HB MET 113 -20.110 -0.400 -14.481 877 HG2 MET 113 2HG MET 113 -18.156 0.818 -13.229 878 HG3 MET 113 3HG MET 113 -18.469 -0.405 -12.002 879 HE1 MET 113 1HE MET 113 -16.839 -1.964 -11.823 880 HE2 MET 113 2HE MET 113 -15.914 -2.777 -13.086 881 HE3 MET 113 3HE MET 113 -15.607 -1.078 -12.722 882 H GLY 114 H GLY 114 -20.102 3.514 -12.449 883 HA2 GLY 114 2HA GLY 114 -19.413 4.538 -10.510 884 HA3 GLY 114 3HA GLY 114 -20.632 3.534 -9.738 885 H LEU 115 H LEU 115 -17.874 2.175 -11.397 886 HA LEU 115 HA LEU 115 -16.178 0.841 -10.676 887 HB2 LEU 115 2HB LEU 115 -15.536 3.110 -9.749 888 HB3 LEU 115 3HB LEU 115 -16.167 2.551 -8.202 889 HG LEU 115 HG LEU 115 -14.484 0.800 -8.123 890 HD11 LEU 115 1HD1 LEU 115 -12.609 1.291 -10.000 891 HD12 LEU 115 2HD1 LEU 115 -14.078 1.615 -10.919 892 HD13 LEU 115 3HD1 LEU 115 -13.852 0.047 -10.144 893 HD21 LEU 115 1HD2 LEU 115 -12.422 2.352 -8.187 894 HD22 LEU 115 2HD2 LEU 115 -13.728 2.721 -7.060 895 HD23 LEU 115 3HD2 LEU 115 -13.586 3.621 -8.570 896 H ASP 116 H ASP 116 -18.779 -0.080 -10.105 897 HA ASP 116 HA ASP 116 -18.327 -1.523 -7.574 898 HB2 ASP 116 2HB ASP 116 -20.448 0.127 -8.123 899 HB3 ASP 116 3HB ASP 116 -21.092 -1.454 -8.563 900 H THR 117 H THR 117 -18.121 -3.657 -7.723 901 HA THR 117 HA THR 117 -18.655 -4.934 -10.299 902 HB THR 117 HB THR 117 -16.438 -5.333 -9.457 903 HG1 THR 117 HG1 THR 117 -16.636 -7.326 -10.118 904 HG21 THR 117 1HG2 THR 117 -17.768 -5.458 -6.926 905 HG22 THR 117 2HG2 THR 117 -16.039 -5.382 -7.267 906 HG23 THR 117 3HG2 THR 117 -16.851 -6.944 -7.173 907 H ARG 118 H ARG 118 -20.050 -6.625 -10.567 908 HA ARG 118 HA ARG 118 -21.861 -7.948 -10.189 909 HB2 ARG 118 2HB ARG 118 -20.194 -9.042 -8.656 910 HB3 ARG 118 3HB ARG 118 -20.868 -8.090 -7.341 911 HG2 ARG 118 2HG ARG 118 -22.760 -9.332 -7.221 912 HG3 ARG 118 3HG ARG 118 -22.761 -9.697 -8.949 913 HD2 ARG 118 2HD ARG 118 -21.590 -11.585 -8.664 914 HD3 ARG 118 3HD ARG 118 -20.487 -10.833 -7.513 915 HE ARG 118 HE ARG 118 -22.766 -12.433 -6.905 916 HH11 ARG 118 1HH1 ARG 118 -20.837 -9.766 -5.774 917 HH12 ARG 118 2HH1 ARG 118 -21.238 -10.013 -4.106 918 HH21 ARG 118 1HH2 ARG 118 -23.303 -12.769 -4.713 919 HH22 ARG 118 2HH2 ARG 118 -22.640 -11.722 -3.505 920 HA PRO 119 HA PRO 119 -24.111 -4.331 -8.314 921 HB2 PRO 119 2HB PRO 119 -25.712 -3.904 -10.463 922 HB3 PRO 119 3HB PRO 119 -24.107 -3.182 -10.302 923 HG2 PRO 119 2HG PRO 119 -24.949 -5.601 -11.852 924 HG3 PRO 119 3HG PRO 119 -23.851 -4.292 -12.329 925 HD2 PRO 119 2HD PRO 119 -22.962 -6.697 -11.457 926 HD3 PRO 119 3HD PRO 119 -22.077 -5.187 -11.160 Start of MODEL 12 1 H1 GLY 2 H GLY 2 7.864 1.400 2.617 2 HA2 GLY 2 2HA GLY 2 5.434 1.290 2.664 3 HA3 GLY 2 3HA GLY 2 5.918 2.949 2.986 4 H ASN 3 H ASN 3 6.842 3.146 0.107 5 HA ASN 3 HA ASN 3 4.305 3.060 -1.325 6 HB2 ASN 3 2HB ASN 3 5.038 5.394 -0.065 7 HB3 ASN 3 3HB ASN 3 5.670 5.630 -1.692 8 HD21 ASN 3 1HD2 ASN 3 4.241 5.678 -3.437 9 HD22 ASN 3 2HD2 ASN 3 2.549 5.954 -3.220 10 H LEU 4 H LEU 4 4.646 3.833 -3.652 11 HA LEU 4 HA LEU 4 5.673 3.568 -5.663 12 HB2 LEU 4 2HB LEU 4 7.431 4.970 -4.162 13 HB3 LEU 4 3HB LEU 4 8.405 3.558 -4.564 14 HG LEU 4 HG LEU 4 8.794 5.415 -6.110 15 HD11 LEU 4 1HD1 LEU 4 8.464 4.173 -8.194 16 HD12 LEU 4 2HD1 LEU 4 7.379 3.063 -7.357 17 HD13 LEU 4 3HD1 LEU 4 9.082 3.137 -6.907 18 HD21 LEU 4 1HD2 LEU 4 5.930 5.056 -6.973 19 HD22 LEU 4 2HD2 LEU 4 7.097 6.230 -7.581 20 HD23 LEU 4 3HD2 LEU 4 6.490 6.362 -5.929 21 H LYS 5 H LYS 5 4.922 1.259 -4.266 22 HA LYS 5 HA LYS 5 6.796 -0.748 -3.987 23 HB2 LYS 5 2HB LYS 5 4.244 -0.761 -3.545 24 HB3 LYS 5 3HB LYS 5 4.107 -1.289 -5.217 25 HG2 LYS 5 2HG LYS 5 4.325 -3.357 -4.437 26 HG3 LYS 5 3HG LYS 5 6.027 -2.969 -4.176 27 HD2 LYS 5 2HD LYS 5 5.574 -2.307 -1.901 28 HD3 LYS 5 3HD LYS 5 3.839 -2.516 -2.148 29 HE2 LYS 5 2HE LYS 5 5.469 -4.873 -2.785 30 HE3 LYS 5 3HE LYS 5 5.501 -4.394 -1.089 31 HZ1 LYS 5 1HZ LYS 5 2.893 -4.492 -2.394 32 HZ2 LYS 5 2HZ LYS 5 3.325 -4.894 -0.809 33 HZ3 LYS 5 3HZ LYS 5 3.644 -5.974 -2.072 34 H SER 6 H SER 6 8.293 -1.396 -5.377 35 HA SER 6 HA SER 6 8.320 -0.869 -8.116 36 HB2 SER 6 2HB SER 6 9.812 -3.274 -7.416 37 HB3 SER 6 3HB SER 6 10.400 -1.717 -8.001 38 HG SER 6 HG SER 6 11.025 -2.407 -5.789 39 H ARG 7 H ARG 7 6.742 -3.355 -6.334 40 HA ARG 7 HA ARG 7 6.502 -5.261 -8.435 41 HB2 ARG 7 2HB ARG 7 6.250 -5.839 -6.044 42 HB3 ARG 7 3HB ARG 7 4.770 -4.891 -5.985 43 HG2 ARG 7 2HG ARG 7 3.568 -6.579 -6.771 44 HG3 ARG 7 3HG ARG 7 4.676 -6.821 -8.123 45 HD2 ARG 7 2HD ARG 7 5.955 -8.360 -6.972 46 HD3 ARG 7 3HD ARG 7 5.455 -7.749 -5.395 47 HE ARG 7 HE ARG 7 3.169 -8.759 -6.489 48 HH11 ARG 7 1HH1 ARG 7 6.347 -10.020 -5.834 49 HH12 ARG 7 2HH1 ARG 7 5.794 -11.643 -5.582 50 HH21 ARG 7 1HH2 ARG 7 2.428 -10.891 -6.159 51 HH22 ARG 7 2HH2 ARG 7 3.565 -12.136 -5.769 52 H ASP 8 H ASP 8 4.005 -3.189 -6.945 53 HA ASP 8 HA ASP 8 2.160 -3.568 -9.067 54 HB2 ASP 8 2HB ASP 8 2.310 -1.873 -6.632 55 HB3 ASP 8 3HB ASP 8 1.221 -1.336 -7.908 56 H TRP 9 H TRP 9 4.802 -1.406 -8.576 57 HA TRP 9 HA TRP 9 3.977 0.665 -10.330 58 HB2 TRP 9 2HB TRP 9 5.704 1.114 -8.716 59 HB3 TRP 9 3HB TRP 9 6.714 -0.176 -9.362 60 HD1 TRP 9 HD1 TRP 9 8.730 0.955 -10.459 61 HE1 TRP 9 HE1 TRP 9 9.082 2.908 -12.096 62 HE3 TRP 9 HE3 TRP 9 3.904 2.603 -10.808 63 HZ2 TRP 9 HZ2 TRP 9 7.523 4.887 -13.368 64 HZ3 TRP 9 HZ3 TRP 9 3.418 4.533 -12.255 65 HH2 TRP 9 HH2 TRP 9 5.192 5.650 -13.507 66 H LYS 10 H LYS 10 6.463 -1.856 -10.796 67 HA LYS 10 HA LYS 10 6.687 -1.411 -13.584 68 HB2 LYS 10 2HB LYS 10 8.365 -2.538 -11.999 69 HB3 LYS 10 3HB LYS 10 7.394 -3.991 -12.201 70 HG2 LYS 10 2HG LYS 10 9.092 -4.232 -13.765 71 HG3 LYS 10 3HG LYS 10 7.731 -3.633 -14.716 72 HD2 LYS 10 2HD LYS 10 9.074 -2.014 -15.448 73 HD3 LYS 10 3HD LYS 10 9.036 -1.342 -13.816 74 HE2 LYS 10 2HE LYS 10 10.922 -3.566 -14.236 75 HE3 LYS 10 3HE LYS 10 11.296 -2.078 -15.105 76 HZ1 LYS 10 1HZ LYS 10 10.899 -2.363 -12.176 77 HZ2 LYS 10 2HZ LYS 10 11.126 -0.888 -12.971 78 HZ3 LYS 10 3HZ LYS 10 12.359 -2.047 -12.972 79 H MET 11 H MET 11 4.485 -3.232 -11.663 80 HA MET 11 HA MET 11 3.640 -4.994 -13.777 81 HB2 MET 11 2HB MET 11 3.501 -5.622 -11.380 82 HB3 MET 11 3HB MET 11 2.287 -4.372 -11.147 83 HG2 MET 11 2HG MET 11 0.859 -5.533 -12.815 84 HG3 MET 11 3HG MET 11 2.050 -6.831 -12.860 85 HE1 MET 11 1HE MET 11 1.923 -8.870 -11.352 86 HE2 MET 11 2HE MET 11 2.946 -7.814 -10.378 87 HE3 MET 11 3HE MET 11 1.634 -8.716 -9.618 88 H ALA 12 H ALA 12 1.939 -2.435 -11.957 89 HA ALA 12 HA ALA 12 -0.296 -2.224 -13.559 90 HB1 ALA 12 1HB ALA 12 -0.595 0.005 -12.648 91 HB2 ALA 12 2HB ALA 12 -0.034 -1.098 -11.391 92 HB3 ALA 12 3HB ALA 12 1.091 0.041 -12.130 93 H ILE 13 H ILE 13 2.881 -0.765 -14.001 94 HA ILE 13 HA ILE 13 2.113 0.873 -16.212 95 HB ILE 13 HB ILE 13 4.826 -0.026 -15.246 96 HG12 ILE 13 2HG1 ILE 13 3.555 1.503 -13.761 97 HG13 ILE 13 3HG1 ILE 13 5.020 2.241 -14.397 98 HG21 ILE 13 1HG2 ILE 13 5.511 0.505 -17.316 99 HG22 ILE 13 2HG2 ILE 13 4.024 1.374 -17.693 100 HG23 ILE 13 3HG2 ILE 13 5.301 2.170 -16.773 101 HD11 ILE 13 1HD1 ILE 13 2.209 2.716 -15.355 102 HD12 ILE 13 2HD1 ILE 13 3.221 3.831 -14.436 103 HD13 ILE 13 3HD1 ILE 13 3.659 3.401 -16.090 104 H LYS 14 H LYS 14 3.849 -2.218 -15.922 105 HA LYS 14 HA LYS 14 4.273 -2.621 -18.668 106 HB2 LYS 14 2HB LYS 14 5.455 -3.882 -16.918 107 HB3 LYS 14 3HB LYS 14 3.951 -4.679 -16.475 108 HG2 LYS 14 2HG LYS 14 5.226 -6.183 -17.810 109 HG3 LYS 14 3HG LYS 14 3.851 -5.632 -18.771 110 HD2 LYS 14 2HD LYS 14 5.724 -5.564 -20.212 111 HD3 LYS 14 3HD LYS 14 5.410 -3.889 -19.750 112 HE2 LYS 14 2HE LYS 14 7.640 -3.903 -19.363 113 HE3 LYS 14 3HE LYS 14 7.125 -4.560 -17.809 114 HZ1 LYS 14 1HZ LYS 14 8.632 -5.805 -19.903 115 HZ2 LYS 14 2HZ LYS 14 7.320 -6.751 -19.408 116 HZ3 LYS 14 3HZ LYS 14 8.474 -6.249 -18.277 117 H ARG 15 H ARG 15 1.463 -2.999 -16.699 118 HA ARG 15 HA ARG 15 0.081 -4.759 -18.509 119 HB2 ARG 15 2HB ARG 15 -0.504 -3.430 -15.932 120 HB3 ARG 15 3HB ARG 15 -1.893 -3.738 -16.967 121 HG2 ARG 15 2HG ARG 15 -1.618 -5.569 -15.445 122 HG3 ARG 15 3HG ARG 15 -1.235 -6.117 -17.079 123 HD2 ARG 15 2HD ARG 15 1.200 -5.581 -16.471 124 HD3 ARG 15 3HD ARG 15 0.633 -5.536 -14.802 125 HE ARG 15 HE ARG 15 1.058 -7.859 -16.412 126 HH11 ARG 15 1HH1 ARG 15 -0.828 -6.545 -13.797 127 HH12 ARG 15 2HH1 ARG 15 -1.157 -8.090 -13.085 128 HH21 ARG 15 1HH2 ARG 15 0.631 -9.899 -15.484 129 HH22 ARG 15 2HH2 ARG 15 -0.326 -9.997 -14.045 130 H CYS 16 H CYS 16 -0.425 -1.370 -17.510 131 HA CYS 16 HA CYS 16 -2.376 -0.770 -19.422 132 HB2 CYS 16 2HB CYS 16 -2.026 1.527 -18.865 133 HB3 CYS 16 3HB CYS 16 -1.789 0.599 -17.389 134 HG CYS 16 HG CYS 16 0.738 1.818 -19.351 135 H SER 17 H SER 17 1.013 -1.167 -19.735 136 HA SER 17 HA SER 17 1.642 0.493 -21.868 137 HB2 SER 17 2HB SER 17 3.242 -0.939 -20.539 138 HB3 SER 17 3HB SER 17 2.706 -2.315 -21.505 139 HG SER 17 HG SER 17 4.622 -1.241 -22.302 140 H ASN 18 H ASN 18 -0.250 -2.407 -21.791 141 HA ASN 18 HA ASN 18 -0.230 -2.634 -24.705 142 HB2 ASN 18 2HB ASN 18 -1.451 -4.394 -22.568 143 HB3 ASN 18 3HB ASN 18 -1.569 -4.705 -24.297 144 HD21 ASN 18 1HD2 ASN 18 0.423 -5.050 -25.469 145 HD22 ASN 18 2HD2 ASN 18 1.769 -5.766 -24.657 146 H VAL 19 H VAL 19 -1.504 -0.386 -23.278 147 HA VAL 19 HA VAL 19 -4.298 -0.820 -24.112 148 HB VAL 19 HB VAL 19 -3.253 1.181 -22.103 149 HG11 VAL 19 1HG1 VAL 19 -5.128 2.258 -22.754 150 HG12 VAL 19 2HG1 VAL 19 -5.858 0.802 -23.434 151 HG13 VAL 19 3HG1 VAL 19 -5.910 1.085 -21.694 152 HG21 VAL 19 1HG2 VAL 19 -3.162 -1.127 -21.281 153 HG22 VAL 19 2HG2 VAL 19 -4.383 -0.182 -20.430 154 HG23 VAL 19 3HG2 VAL 19 -4.869 -1.332 -21.676 155 H ALA 20 H ALA 20 -5.313 0.723 -25.379 156 HA ALA 20 HA ALA 20 -3.541 2.335 -27.000 157 HB1 ALA 20 1HB ALA 20 -5.298 2.531 -28.515 158 HB2 ALA 20 2HB ALA 20 -5.534 0.928 -27.820 159 HB3 ALA 20 3HB ALA 20 -6.525 2.280 -27.273 160 H VAL 21 H VAL 21 -3.900 4.593 -27.431 161 HA VAL 21 HA VAL 21 -4.378 6.091 -25.033 162 HB VAL 21 HB VAL 21 -2.628 6.841 -26.501 163 HG11 VAL 21 1HG1 VAL 21 -4.499 6.229 -28.546 164 HG12 VAL 21 2HG1 VAL 21 -4.053 7.930 -28.704 165 HG13 VAL 21 3HG1 VAL 21 -2.803 6.684 -28.708 166 HG21 VAL 21 1HG2 VAL 21 -4.052 8.511 -25.244 167 HG22 VAL 21 2HG2 VAL 21 -3.124 9.152 -26.600 168 HG23 VAL 21 3HG2 VAL 21 -4.852 8.848 -26.780 169 H GLY 22 H GLY 22 -6.170 5.366 -27.941 170 HA2 GLY 22 2HA GLY 22 -8.670 5.917 -26.923 171 HA3 GLY 22 3HA GLY 22 -8.124 7.427 -27.637 172 H VAL 23 H VAL 23 -10.198 6.837 -28.873 173 HA VAL 23 HA VAL 23 -9.810 4.873 -30.977 174 HB VAL 23 HB VAL 23 -12.113 6.785 -30.570 175 HG11 VAL 23 1HG1 VAL 23 -12.551 6.118 -32.675 176 HG12 VAL 23 2HG1 VAL 23 -11.489 4.713 -32.562 177 HG13 VAL 23 3HG1 VAL 23 -13.118 4.645 -31.886 178 HG21 VAL 23 1HG2 VAL 23 -13.058 4.328 -29.906 179 HG22 VAL 23 2HG2 VAL 23 -11.409 4.239 -29.287 180 HG23 VAL 23 3HG2 VAL 23 -12.487 5.525 -28.744 181 H GLY 24 H GLY 24 -10.149 8.392 -30.670 182 HA2 GLY 24 2HA GLY 24 -9.546 8.710 -33.517 183 HA3 GLY 24 3HA GLY 24 -10.084 9.977 -32.424 184 H GLY 25 H GLY 25 -8.002 10.443 -34.146 185 HA2 GLY 25 2HA GLY 25 -5.985 11.584 -33.938 186 HA3 GLY 25 3HA GLY 25 -5.893 11.062 -32.263 187 H LYS 26 H LYS 26 -5.984 9.418 -35.428 188 HA LYS 26 HA LYS 26 -4.666 7.800 -36.332 189 HB2 LYS 26 2HB LYS 26 -2.840 9.523 -34.831 190 HB3 LYS 26 3HB LYS 26 -2.233 7.885 -35.031 191 HG2 LYS 26 2HG LYS 26 -1.397 9.093 -36.856 192 HG3 LYS 26 3HG LYS 26 -2.743 8.149 -37.500 193 HD2 LYS 26 2HD LYS 26 -3.365 10.126 -38.389 194 HD3 LYS 26 3HD LYS 26 -4.031 10.413 -36.780 195 HE2 LYS 26 2HE LYS 26 -2.469 11.959 -36.270 196 HE3 LYS 26 3HE LYS 26 -1.186 11.088 -37.108 197 HZ1 LYS 26 1HZ LYS 26 -1.763 12.029 -39.133 198 HZ2 LYS 26 2HZ LYS 26 -1.948 13.318 -38.055 199 HZ3 LYS 26 3HZ LYS 26 -3.308 12.483 -38.614 200 H SER 27 H SER 27 -3.039 5.927 -35.595 201 HA SER 27 HA SER 27 -4.422 4.577 -33.389 202 HB2 SER 27 2HB SER 27 -2.729 2.735 -34.648 203 HB3 SER 27 3HB SER 27 -4.475 2.881 -34.857 204 HG SER 27 HG SER 27 -2.576 3.324 -36.647 205 H LYS 28 H LYS 28 -3.305 5.554 -31.671 206 HA LYS 28 HA LYS 28 -0.525 4.628 -31.368 207 HB2 LYS 28 2HB LYS 28 -1.692 7.315 -31.001 208 HB3 LYS 28 3HB LYS 28 -0.606 6.786 -29.722 209 HG2 LYS 28 2HG LYS 28 1.209 6.587 -31.194 210 HG3 LYS 28 3HG LYS 28 0.168 6.652 -32.617 211 HD2 LYS 28 2HD LYS 28 0.288 8.875 -32.681 212 HD3 LYS 28 3HD LYS 28 -0.180 9.003 -30.985 213 HE2 LYS 28 2HE LYS 28 1.946 10.001 -31.124 214 HE3 LYS 28 3HE LYS 28 2.224 8.404 -30.431 215 HZ1 LYS 28 1HZ LYS 28 3.340 9.504 -32.750 216 HZ2 LYS 28 2HZ LYS 28 2.384 8.188 -33.214 217 HZ3 LYS 28 3HZ LYS 28 3.618 7.977 -32.077 218 H LYS 29 H LYS 29 0.148 4.580 -29.012 219 HA LYS 29 HA LYS 29 -2.106 3.714 -27.323 220 HB2 LYS 29 2HB LYS 29 -0.603 2.003 -26.353 221 HB3 LYS 29 3HB LYS 29 -0.905 1.748 -28.067 222 HG2 LYS 29 2HG LYS 29 1.247 2.053 -28.624 223 HG3 LYS 29 3HG LYS 29 1.474 3.356 -27.455 224 HD2 LYS 29 2HD LYS 29 2.208 1.954 -25.847 225 HD3 LYS 29 3HD LYS 29 1.066 0.683 -26.292 226 HE2 LYS 29 2HE LYS 29 2.979 1.026 -28.392 227 HE3 LYS 29 3HE LYS 29 3.825 0.826 -26.859 228 HZ1 LYS 29 1HZ LYS 29 2.880 -1.190 -28.374 229 HZ2 LYS 29 2HZ LYS 29 1.635 -1.008 -27.243 230 HZ3 LYS 29 3HZ LYS 29 3.215 -1.306 -26.719 231 H PHE 30 H PHE 30 -1.452 3.627 -24.951 232 HA PHE 30 HA PHE 30 -0.528 6.205 -24.184 233 HB2 PHE 30 2HB PHE 30 -2.020 4.169 -22.994 234 HB3 PHE 30 3HB PHE 30 -0.562 4.277 -22.013 235 HD1 PHE 30 HD1 PHE 30 -3.796 5.414 -22.281 236 HD2 PHE 30 HD2 PHE 30 0.144 6.857 -21.567 237 HE1 PHE 30 HE1 PHE 30 -4.728 7.376 -21.125 238 HE2 PHE 30 HE2 PHE 30 -0.781 8.820 -20.408 239 HZ PHE 30 HZ PHE 30 -3.219 9.081 -20.185 240 H GLY 31 H GLY 31 1.393 6.859 -23.333 241 HA2 GLY 31 2HA GLY 31 3.560 4.850 -23.346 242 HA3 GLY 31 3HA GLY 31 3.782 6.542 -23.764 243 H GLU 32 H GLU 32 5.448 5.457 -21.936 244 HA GLU 32 HA GLU 32 4.632 5.577 -19.257 245 HB2 GLU 32 2HB GLU 32 7.048 5.840 -18.746 246 HB3 GLU 32 3HB GLU 32 6.716 4.521 -19.860 247 HG2 GLU 32 2HG GLU 32 8.404 5.409 -21.028 248 HG3 GLU 32 3HG GLU 32 7.168 6.527 -21.603 249 H GLY 33 H GLY 33 5.984 8.062 -21.391 250 HA2 GLY 33 2HA GLY 33 6.235 10.096 -19.463 251 HA3 GLY 33 3HA GLY 33 6.082 10.347 -21.195 252 H ASN 34 H ASN 34 3.565 9.339 -21.683 253 HA ASN 34 HA ASN 34 1.916 11.492 -21.059 254 HB2 ASN 34 2HB ASN 34 1.124 8.675 -21.832 255 HB3 ASN 34 3HB ASN 34 0.057 10.075 -21.876 256 HD21 ASN 34 1HD2 ASN 34 0.103 11.401 -23.593 257 HD22 ASN 34 2HD2 ASN 34 1.159 11.212 -24.947 258 H PHE 35 H PHE 35 2.065 8.268 -19.574 259 HA PHE 35 HA PHE 35 -0.001 8.718 -17.699 260 HB2 PHE 35 2HB PHE 35 2.091 6.676 -18.140 261 HB3 PHE 35 3HB PHE 35 1.513 6.823 -16.483 262 HD1 PHE 35 HD1 PHE 35 -1.130 6.948 -16.278 263 HD2 PHE 35 HD2 PHE 35 1.002 5.218 -19.530 264 HE1 PHE 35 HE1 PHE 35 -3.102 5.588 -16.843 265 HE2 PHE 35 HE2 PHE 35 -0.967 3.857 -20.101 266 HZ PHE 35 HZ PHE 35 -3.022 4.040 -18.758 267 H ARG 36 H ARG 36 3.541 8.844 -17.371 268 HA ARG 36 HA ARG 36 3.723 9.513 -14.702 269 HB2 ARG 36 2HB ARG 36 5.568 9.083 -16.504 270 HB3 ARG 36 3HB ARG 36 5.527 10.830 -16.700 271 HG2 ARG 36 2HG ARG 36 5.833 10.885 -14.133 272 HG3 ARG 36 3HG ARG 36 6.371 9.216 -14.334 273 HD2 ARG 36 2HD ARG 36 7.588 10.990 -16.275 274 HD3 ARG 36 3HD ARG 36 7.911 11.507 -14.621 275 HE ARG 36 HE ARG 36 8.352 8.709 -14.994 276 HH11 ARG 36 1HH1 ARG 36 9.754 11.866 -15.429 277 HH12 ARG 36 2HH1 ARG 36 11.387 11.292 -15.372 278 HH21 ARG 36 1HH2 ARG 36 10.499 7.941 -14.918 279 HH22 ARG 36 2HH2 ARG 36 11.811 9.059 -15.083 280 H TRP 37 H TRP 37 2.797 11.504 -17.409 281 HA TRP 37 HA TRP 37 3.061 14.004 -16.046 282 HB2 TRP 37 2HB TRP 37 3.163 14.069 -18.424 283 HB3 TRP 37 3HB TRP 37 1.652 13.176 -18.584 284 HD1 TRP 37 HD1 TRP 37 2.974 16.675 -17.700 285 HE1 TRP 37 HE1 TRP 37 1.054 18.365 -17.992 286 HE3 TRP 37 HE3 TRP 37 -0.852 13.410 -18.619 287 HZ2 TRP 37 HZ2 TRP 37 -1.715 18.321 -18.538 288 HZ3 TRP 37 HZ3 TRP 37 -3.105 14.315 -19.014 289 HH2 TRP 37 HH2 TRP 37 -3.526 16.720 -18.973 290 H ALA 38 H ALA 38 0.185 12.178 -17.118 291 HA ALA 38 HA ALA 38 -1.715 13.717 -15.788 292 HB1 ALA 38 1HB ALA 38 -1.651 10.957 -16.881 293 HB2 ALA 38 2HB ALA 38 -2.980 11.390 -15.806 294 HB3 ALA 38 3HB ALA 38 -2.705 12.313 -17.283 295 H ILE 39 H ILE 39 0.199 10.981 -14.654 296 HA ILE 39 HA ILE 39 -1.160 10.687 -12.172 297 HB ILE 39 HB ILE 39 1.599 9.797 -13.014 298 HG12 ILE 39 2HG1 ILE 39 -0.303 8.792 -14.255 299 HG13 ILE 39 3HG1 ILE 39 0.579 7.611 -13.293 300 HG21 ILE 39 1HG2 ILE 39 0.127 9.542 -10.451 301 HG22 ILE 39 2HG2 ILE 39 1.048 8.146 -11.011 302 HG23 ILE 39 3HG2 ILE 39 1.858 9.692 -10.755 303 HD11 ILE 39 1HD1 ILE 39 -1.607 8.761 -11.803 304 HD12 ILE 39 2HD1 ILE 39 -2.154 8.036 -13.315 305 HD13 ILE 39 3HD1 ILE 39 -1.241 7.073 -12.153 306 H ARG 40 H ARG 40 2.148 11.866 -12.817 307 HA ARG 40 HA ARG 40 2.681 12.900 -10.316 308 HB2 ARG 40 2HB ARG 40 4.272 12.670 -12.275 309 HB3 ARG 40 3HB ARG 40 3.604 14.177 -12.890 310 HG2 ARG 40 2HG ARG 40 4.651 15.442 -11.328 311 HG3 ARG 40 3HG ARG 40 4.578 14.180 -10.097 312 HD2 ARG 40 2HD ARG 40 6.236 13.015 -11.868 313 HD3 ARG 40 3HD ARG 40 6.620 14.712 -12.159 314 HE ARG 40 HE ARG 40 6.627 14.237 -9.393 315 HH11 ARG 40 1HH1 ARG 40 8.454 13.451 -12.251 316 HH12 ARG 40 2HH1 ARG 40 9.956 13.285 -11.404 317 HH21 ARG 40 1HH2 ARG 40 8.599 14.020 -8.266 318 HH22 ARG 40 2HH2 ARG 40 10.037 13.608 -9.137 319 H MET 41 H MET 41 0.903 14.358 -12.979 320 HA MET 41 HA MET 41 0.692 16.940 -11.781 321 HB2 MET 41 2HB MET 41 0.481 16.488 -14.234 322 HB3 MET 41 3HB MET 41 -1.071 15.726 -13.913 323 HG2 MET 41 2HG MET 41 -2.101 17.718 -13.407 324 HG3 MET 41 3HG MET 41 -0.588 18.514 -12.983 325 HE1 MET 41 1HE MET 41 0.562 19.926 -14.149 326 HE2 MET 41 2HE MET 41 0.506 20.332 -15.865 327 HE3 MET 41 3HE MET 41 -0.794 20.853 -14.791 328 H ALA 42 H ALA 42 -1.693 14.332 -12.277 329 HA ALA 42 HA ALA 42 -3.812 15.427 -10.891 330 HB1 ALA 42 1HB ALA 42 -4.300 13.492 -12.077 331 HB2 ALA 42 2HB ALA 42 -2.963 12.594 -11.360 332 HB3 ALA 42 3HB ALA 42 -4.395 12.961 -10.398 333 H ASN 43 H ASN 43 -0.912 13.938 -9.651 334 HA ASN 43 HA ASN 43 -1.865 13.592 -6.979 335 HB2 ASN 43 2HB ASN 43 0.977 13.725 -8.013 336 HB3 ASN 43 3HB ASN 43 0.486 13.144 -6.425 337 HD21 ASN 43 1HD2 ASN 43 1.966 11.656 -8.289 338 HD22 ASN 43 2HD2 ASN 43 1.013 10.298 -8.772 339 H VAL 44 H VAL 44 0.635 15.788 -8.273 340 HA VAL 44 HA VAL 44 0.846 17.427 -6.042 341 HB VAL 44 HB VAL 44 2.435 17.495 -7.913 342 HG11 VAL 44 1HG1 VAL 44 0.812 17.327 -9.743 343 HG12 VAL 44 2HG1 VAL 44 0.258 18.966 -9.396 344 HG13 VAL 44 3HG1 VAL 44 1.906 18.692 -9.963 345 HG21 VAL 44 1HG2 VAL 44 1.521 20.286 -7.914 346 HG22 VAL 44 2HG2 VAL 44 1.685 19.558 -6.315 347 HG23 VAL 44 3HG2 VAL 44 3.065 19.596 -7.413 348 H SER 45 H SER 45 -1.468 17.496 -8.678 349 HA SER 45 HA SER 45 -2.554 20.049 -8.180 350 HB2 SER 45 2HB SER 45 -2.942 18.801 -10.274 351 HB3 SER 45 3HB SER 45 -3.908 17.623 -9.386 352 HG SER 45 HG SER 45 -5.469 19.113 -9.078 353 H THR 46 H THR 46 -3.273 16.861 -6.874 354 HA THR 46 HA THR 46 -5.432 17.958 -5.237 355 HB THR 46 HB THR 46 -5.749 15.565 -4.521 356 HG1 THR 46 HG1 THR 46 -4.606 13.984 -5.591 357 HG21 THR 46 1HG2 THR 46 -7.040 16.634 -6.362 358 HG22 THR 46 2HG2 THR 46 -6.847 14.892 -6.559 359 HG23 THR 46 3HG2 THR 46 -5.856 16.003 -7.506 360 H GLY 47 H GLY 47 -2.342 18.239 -4.925 361 HA2 GLY 47 2HA GLY 47 -0.833 18.348 -3.195 362 HA3 GLY 47 3HA GLY 47 -2.249 18.623 -2.190 363 H ARG 48 H ARG 48 -0.813 15.848 -3.918 364 HA ARG 48 HA ARG 48 -0.894 14.354 -1.387 365 HB2 ARG 48 2HB ARG 48 -2.722 13.860 -3.270 366 HB3 ARG 48 3HB ARG 48 -1.417 12.871 -3.912 367 HG2 ARG 48 2HG ARG 48 -1.519 11.377 -2.203 368 HG3 ARG 48 3HG ARG 48 -2.071 12.580 -1.036 369 HD2 ARG 48 2HD ARG 48 -3.861 11.814 -3.295 370 HD3 ARG 48 3HD ARG 48 -3.692 10.715 -1.927 371 HE ARG 48 HE ARG 48 -4.204 13.223 -0.873 372 HH11 ARG 48 1HH1 ARG 48 -5.806 10.927 -2.943 373 HH12 ARG 48 2HH1 ARG 48 -7.399 11.408 -2.462 374 HH21 ARG 48 1HH2 ARG 48 -6.297 13.866 -0.232 375 HH22 ARG 48 2HH2 ARG 48 -7.677 13.081 -0.921 376 H GLU 49 H GLU 49 1.368 15.617 -2.254 377 HA GLU 49 HA GLU 49 3.587 15.255 -2.602 378 HB2 GLU 49 2HB GLU 49 3.015 12.297 -2.575 379 HB3 GLU 49 3HB GLU 49 4.502 13.119 -2.127 380 HG2 GLU 49 2HG GLU 49 1.898 13.163 -0.621 381 HG3 GLU 49 3HG GLU 49 3.380 12.330 -0.154 382 HA PRO 50 HA PRO 50 4.086 14.755 -6.934 383 HB2 PRO 50 2HB PRO 50 6.751 14.262 -7.095 384 HB3 PRO 50 3HB PRO 50 6.091 15.855 -6.704 385 HG2 PRO 50 2HG PRO 50 7.183 13.756 -4.871 386 HG3 PRO 50 3HG PRO 50 7.443 15.509 -4.844 387 HD2 PRO 50 2HD PRO 50 5.690 14.271 -3.192 388 HD3 PRO 50 3HD PRO 50 5.429 15.919 -3.801 389 H GLY 51 H GLY 51 5.918 12.300 -5.092 390 HA2 GLY 51 2HA GLY 51 5.581 10.376 -7.242 391 HA3 GLY 51 3HA GLY 51 6.479 10.131 -5.752 392 H ASP 52 H ASP 52 3.134 10.596 -6.882 393 HA ASP 52 HA ASP 52 2.234 8.818 -4.724 394 HB2 ASP 52 2HB ASP 52 1.237 11.260 -5.626 395 HB3 ASP 52 3HB ASP 52 0.115 10.065 -6.273 396 H ILE 53 H ILE 53 2.582 6.799 -5.558 397 HA ILE 53 HA ILE 53 1.220 6.162 -8.093 398 HB ILE 53 HB ILE 53 3.503 4.686 -6.775 399 HG12 ILE 53 2HG1 ILE 53 4.128 6.870 -7.783 400 HG13 ILE 53 3HG1 ILE 53 4.867 5.501 -8.607 401 HG21 ILE 53 1HG2 ILE 53 3.514 3.556 -9.095 402 HG22 ILE 53 2HG2 ILE 53 2.315 3.044 -7.909 403 HG23 ILE 53 3HG2 ILE 53 1.853 4.139 -9.212 404 HD11 ILE 53 1HD1 ILE 53 3.315 7.578 -9.705 405 HD12 ILE 53 2HD1 ILE 53 4.016 6.182 -10.525 406 HD13 ILE 53 3HD1 ILE 53 2.385 6.088 -9.863 407 HA PRO 54 HA PRO 54 -1.199 4.065 -4.746 408 HB2 PRO 54 2HB PRO 54 -3.620 4.615 -5.846 409 HB3 PRO 54 3HB PRO 54 -2.776 5.736 -4.770 410 HG2 PRO 54 2HG PRO 54 -2.927 5.731 -7.760 411 HG3 PRO 54 3HG PRO 54 -3.054 7.096 -6.635 412 HD2 PRO 54 2HD PRO 54 -0.779 6.534 -7.990 413 HD3 PRO 54 3HD PRO 54 -0.771 7.253 -6.367 414 H GLU 55 H GLU 55 -1.557 1.942 -4.881 415 HA GLU 55 HA GLU 55 -2.220 0.799 -7.516 416 HB2 GLU 55 2HB GLU 55 -0.953 -1.170 -6.952 417 HB3 GLU 55 3HB GLU 55 0.071 0.241 -6.726 418 HG2 GLU 55 2HG GLU 55 -1.263 -0.328 -4.275 419 HG3 GLU 55 3HG GLU 55 -0.521 -1.806 -4.883 420 H THR 56 H THR 56 -4.169 1.704 -5.690 421 HA THR 56 HA THR 56 -5.566 -0.813 -5.201 422 HB THR 56 HB THR 56 -6.194 -0.317 -2.964 423 HG1 THR 56 HG1 THR 56 -5.924 1.641 -2.043 424 HG21 THR 56 1HG2 THR 56 -3.264 0.383 -3.174 425 HG22 THR 56 2HG2 THR 56 -3.908 -1.255 -3.278 426 HG23 THR 56 3HG2 THR 56 -4.089 -0.330 -1.788 427 H LEU 57 H LEU 57 -7.700 -0.709 -5.645 428 HA LEU 57 HA LEU 57 -8.785 1.338 -7.141 429 HB2 LEU 57 2HB LEU 57 -9.939 -0.912 -5.572 430 HB3 LEU 57 3HB LEU 57 -11.031 0.315 -6.211 431 HG LEU 57 HG LEU 57 -9.092 -1.064 -8.028 432 HD11 LEU 57 1HD1 LEU 57 -11.230 -2.539 -8.483 433 HD12 LEU 57 2HD1 LEU 57 -11.535 -2.207 -6.779 434 HD13 LEU 57 3HD1 LEU 57 -10.036 -2.996 -7.269 435 HD21 LEU 57 1HD2 LEU 57 -11.037 -0.670 -9.602 436 HD22 LEU 57 2HD2 LEU 57 -10.195 0.768 -9.025 437 HD23 LEU 57 3HD2 LEU 57 -11.749 0.315 -8.324 438 H ASP 58 H ASP 58 -8.643 0.982 -3.674 439 HA ASP 58 HA ASP 58 -10.575 2.970 -3.040 440 HB2 ASP 58 2HB ASP 58 -9.626 1.118 -1.522 441 HB3 ASP 58 3HB ASP 58 -8.267 2.208 -1.264 442 H GLN 59 H GLN 59 -7.013 3.014 -3.073 443 HA GLN 59 HA GLN 59 -6.690 5.703 -2.392 444 HB2 GLN 59 2HB GLN 59 -4.999 3.686 -3.806 445 HB3 GLN 59 3HB GLN 59 -4.492 5.370 -3.810 446 HG2 GLN 59 2HG GLN 59 -3.887 5.329 -1.654 447 HG3 GLN 59 3HG GLN 59 -5.256 4.325 -1.181 448 HE21 GLN 59 1HE2 GLN 59 -2.699 3.733 -3.549 449 HE22 GLN 59 2HE2 GLN 59 -2.089 2.304 -2.795 450 H LEU 60 H LEU 60 -6.798 4.189 -5.611 451 HA LEU 60 HA LEU 60 -6.538 6.580 -7.075 452 HB2 LEU 60 2HB LEU 60 -7.801 3.949 -7.821 453 HB3 LEU 60 3HB LEU 60 -7.487 5.258 -8.958 454 HG LEU 60 HG LEU 60 -5.087 4.528 -7.523 455 HD11 LEU 60 1HD1 LEU 60 -6.796 2.352 -8.479 456 HD12 LEU 60 2HD1 LEU 60 -5.425 2.320 -7.371 457 HD13 LEU 60 3HD1 LEU 60 -5.151 2.320 -9.113 458 HD21 LEU 60 1HD2 LEU 60 -5.323 3.988 -10.399 459 HD22 LEU 60 2HD2 LEU 60 -4.153 4.972 -9.517 460 HD23 LEU 60 3HD2 LEU 60 -5.740 5.632 -9.914 461 H ARG 61 H ARG 61 -9.322 4.909 -5.741 462 HA ARG 61 HA ARG 61 -11.364 6.242 -7.094 463 HB2 ARG 61 2HB ARG 61 -11.904 4.331 -5.768 464 HB3 ARG 61 3HB ARG 61 -11.250 5.074 -4.315 465 HG2 ARG 61 2HG ARG 61 -13.343 6.692 -5.473 466 HG3 ARG 61 3HG ARG 61 -13.898 5.051 -5.133 467 HD2 ARG 61 2HD ARG 61 -12.812 5.354 -2.838 468 HD3 ARG 61 3HD ARG 61 -12.742 7.071 -3.235 469 HE ARG 61 HE ARG 61 -15.349 6.279 -3.683 470 HH11 ARG 61 1HH1 ARG 61 -13.143 6.398 -0.992 471 HH12 ARG 61 2HH1 ARG 61 -14.391 6.622 0.189 472 HH21 ARG 61 1HH2 ARG 61 -17.001 6.575 -2.138 473 HH22 ARG 61 2HH2 ARG 61 -16.585 6.723 -0.464 474 H LEU 62 H LEU 62 -9.777 7.072 -4.021 475 HA LEU 62 HA LEU 62 -11.263 9.417 -3.536 476 HB2 LEU 62 2HB LEU 62 -9.211 7.979 -2.273 477 HB3 LEU 62 3HB LEU 62 -8.589 9.611 -2.503 478 HG LEU 62 HG LEU 62 -9.609 9.331 -0.302 479 HD11 LEU 62 1HD1 LEU 62 -10.200 11.349 -2.199 480 HD12 LEU 62 2HD1 LEU 62 -10.111 11.483 -0.443 481 HD13 LEU 62 3HD1 LEU 62 -11.644 11.087 -1.220 482 HD21 LEU 62 1HD2 LEU 62 -11.254 7.602 -0.982 483 HD22 LEU 62 2HD2 LEU 62 -12.196 8.863 -1.778 484 HD23 LEU 62 3HD2 LEU 62 -11.960 8.909 -0.031 485 H VAL 63 H VAL 63 -8.109 8.902 -5.081 486 HA VAL 63 HA VAL 63 -7.461 11.581 -5.545 487 HB VAL 63 HB VAL 63 -6.745 9.183 -7.240 488 HG11 VAL 63 1HG1 VAL 63 -5.882 10.704 -8.626 489 HG12 VAL 63 2HG1 VAL 63 -6.123 12.014 -7.468 490 HG13 VAL 63 3HG1 VAL 63 -4.678 11.004 -7.373 491 HG21 VAL 63 1HG2 VAL 63 -5.243 8.595 -5.700 492 HG22 VAL 63 2HG2 VAL 63 -4.690 10.257 -5.491 493 HG23 VAL 63 3HG2 VAL 63 -6.097 9.677 -4.599 494 H ILE 64 H ILE 64 -9.116 9.254 -7.671 495 HA ILE 64 HA ILE 64 -9.522 10.987 -9.833 496 HB ILE 64 HB ILE 64 -11.231 8.655 -8.954 497 HG12 ILE 64 2HG1 ILE 64 -9.267 8.563 -11.207 498 HG13 ILE 64 3HG1 ILE 64 -8.667 8.437 -9.557 499 HG21 ILE 64 1HG2 ILE 64 -11.694 8.660 -11.515 500 HG22 ILE 64 2HG2 ILE 64 -12.588 9.755 -10.462 501 HG23 ILE 64 3HG2 ILE 64 -11.228 10.357 -11.409 502 HD11 ILE 64 1HD1 ILE 64 -9.090 6.269 -9.667 503 HD12 ILE 64 2HD1 ILE 64 -10.809 6.665 -9.687 504 HD13 ILE 64 3HD1 ILE 64 -9.935 6.455 -11.204 505 H CYS 65 H CYS 65 -11.396 10.448 -6.903 506 HA CYS 65 HA CYS 65 -13.729 11.810 -7.619 507 HB2 CYS 65 2HB CYS 65 -13.674 10.448 -5.630 508 HB3 CYS 65 3HB CYS 65 -12.415 11.454 -4.921 509 HG CYS 65 HG CYS 65 -14.203 12.631 -3.484 510 H ASP 66 H ASP 66 -10.842 13.010 -5.919 511 HA ASP 66 HA ASP 66 -11.700 15.674 -5.672 512 HB2 ASP 66 2HB ASP 66 -9.586 14.302 -4.722 513 HB3 ASP 66 3HB ASP 66 -8.796 15.182 -6.028 514 H LEU 67 H LEU 67 -9.585 14.157 -8.102 515 HA LEU 67 HA LEU 67 -9.048 16.383 -9.653 516 HB2 LEU 67 2HB LEU 67 -9.463 13.531 -10.538 517 HB3 LEU 67 3HB LEU 67 -8.732 14.794 -11.526 518 HG LEU 67 HG LEU 67 -7.575 13.916 -8.890 519 HD11 LEU 67 1HD1 LEU 67 -7.818 12.195 -10.927 520 HD12 LEU 67 2HD1 LEU 67 -6.426 12.223 -9.845 521 HD13 LEU 67 3HD1 LEU 67 -6.337 13.019 -11.416 522 HD21 LEU 67 1HD2 LEU 67 -6.852 16.095 -9.682 523 HD22 LEU 67 2HD2 LEU 67 -6.435 15.408 -11.252 524 HD23 LEU 67 3HD2 LEU 67 -5.536 14.927 -9.812 525 H GLN 68 H GLN 68 -11.841 14.217 -9.759 526 HA GLN 68 HA GLN 68 -13.056 15.268 -12.057 527 HB2 GLN 68 2HB GLN 68 -13.910 13.616 -9.758 528 HB3 GLN 68 3HB GLN 68 -15.195 14.462 -10.611 529 HG2 GLN 68 2HG GLN 68 -13.171 12.741 -12.010 530 HG3 GLN 68 3HG GLN 68 -14.692 12.116 -11.377 531 HE21 GLN 68 1HE2 GLN 68 -16.396 12.173 -12.664 532 HE22 GLN 68 2HE2 GLN 68 -16.540 13.107 -14.110 533 H GLU 69 H GLU 69 -13.539 16.079 -8.627 534 HA GLU 69 HA GLU 69 -15.526 17.985 -8.906 535 HB2 GLU 69 2HB GLU 69 -13.690 17.160 -6.865 536 HB3 GLU 69 3HB GLU 69 -13.770 18.916 -6.890 537 HG2 GLU 69 2HG GLU 69 -16.338 18.535 -6.928 538 HG3 GLU 69 3HG GLU 69 -15.922 16.934 -6.318 539 H ARG 70 H ARG 70 -12.020 18.364 -9.189 540 HA ARG 70 HA ARG 70 -12.065 21.181 -9.533 541 HB2 ARG 70 2HB ARG 70 -10.071 19.019 -9.751 542 HB3 ARG 70 3HB ARG 70 -9.758 20.427 -10.756 543 HG2 ARG 70 2HG ARG 70 -10.226 21.731 -8.531 544 HG3 ARG 70 3HG ARG 70 -9.806 20.184 -7.793 545 HD2 ARG 70 2HD ARG 70 -7.653 20.196 -8.791 546 HD3 ARG 70 3HD ARG 70 -8.075 21.547 -9.842 547 HE ARG 70 HE ARG 70 -8.323 22.302 -7.130 548 HH11 ARG 70 1HH1 ARG 70 -5.935 21.619 -9.568 549 HH12 ARG 70 2HH1 ARG 70 -4.733 22.650 -8.865 550 HH21 ARG 70 1HH2 ARG 70 -6.750 23.663 -6.195 551 HH22 ARG 70 2HH2 ARG 70 -5.197 23.811 -6.946 552 H ARG 71 H ARG 71 -12.226 18.451 -11.742 553 HA ARG 71 HA ARG 71 -11.807 19.808 -14.152 554 HB2 ARG 71 2HB ARG 71 -11.779 17.426 -14.162 555 HB3 ARG 71 3HB ARG 71 -13.402 17.335 -13.493 556 HG2 ARG 71 2HG ARG 71 -13.329 16.774 -15.880 557 HG3 ARG 71 3HG ARG 71 -14.340 18.183 -15.550 558 HD2 ARG 71 2HD ARG 71 -12.824 19.654 -16.493 559 HD3 ARG 71 3HD ARG 71 -11.465 18.554 -16.271 560 HE ARG 71 HE ARG 71 -11.900 17.709 -18.340 561 HH11 ARG 71 1HH1 ARG 71 -14.795 19.222 -17.136 562 HH12 ARG 71 2HH1 ARG 71 -15.689 18.976 -18.600 563 HH21 ARG 71 1HH2 ARG 71 -13.066 17.380 -20.273 564 HH22 ARG 71 2HH2 ARG 71 -14.704 17.927 -20.382 565 H GLU 72 H GLU 72 -14.744 19.313 -12.253 566 HA GLU 72 HA GLU 72 -16.493 20.490 -14.175 567 HB2 GLU 72 2HB GLU 72 -17.034 18.892 -12.191 568 HB3 GLU 72 3HB GLU 72 -17.101 20.368 -11.240 569 HG2 GLU 72 2HG GLU 72 -19.305 20.023 -11.845 570 HG3 GLU 72 3HG GLU 72 -18.742 21.205 -13.026 571 H LYS 73 H LYS 73 -15.325 21.650 -11.009 572 HA LYS 73 HA LYS 73 -16.357 24.221 -11.142 573 HB2 LYS 73 2HB LYS 73 -14.300 22.838 -9.590 574 HB3 LYS 73 3HB LYS 73 -13.971 24.554 -9.791 575 HG2 LYS 73 2HG LYS 73 -16.708 24.276 -9.117 576 HG3 LYS 73 3HG LYS 73 -15.767 23.284 -7.999 577 HD2 LYS 73 2HD LYS 73 -15.852 25.392 -6.981 578 HD3 LYS 73 3HD LYS 73 -14.259 25.336 -7.738 579 HE2 LYS 73 2HE LYS 73 -14.741 27.035 -9.111 580 HE3 LYS 73 3HE LYS 73 -16.325 26.374 -9.509 581 HZ1 LYS 73 1HZ LYS 73 -17.038 28.162 -8.380 582 HZ2 LYS 73 2HZ LYS 73 -15.592 28.352 -7.522 583 HZ3 LYS 73 3HZ LYS 73 -16.735 27.213 -7.013 584 H PHE 74 H PHE 74 -13.347 22.935 -12.451 585 HA PHE 74 HA PHE 74 -12.414 25.505 -13.342 586 HB2 PHE 74 2HB PHE 74 -10.991 23.442 -12.720 587 HB3 PHE 74 3HB PHE 74 -11.384 22.858 -14.333 588 HD1 PHE 74 HD1 PHE 74 -9.244 24.941 -12.388 589 HD2 PHE 74 HD2 PHE 74 -10.780 24.340 -16.312 590 HE1 PHE 74 HE1 PHE 74 -7.393 26.271 -13.312 591 HE2 PHE 74 HE2 PHE 74 -8.931 25.669 -17.243 592 HZ PHE 74 HZ PHE 74 -7.233 26.637 -15.743 593 H GLY 75 H GLY 75 -14.374 22.956 -14.620 594 HA2 GLY 75 2HA GLY 75 -15.827 23.240 -16.461 595 HA3 GLY 75 3HA GLY 75 -14.798 24.540 -17.042 596 H SER 76 H SER 76 -15.209 23.296 -19.090 597 HA SER 76 HA SER 76 -14.010 20.760 -19.486 598 HB2 SER 76 2HB SER 76 -15.409 22.731 -21.092 599 HB3 SER 76 3HB SER 76 -14.055 22.028 -21.976 600 HG SER 76 HG SER 76 -16.229 20.920 -21.980 601 H SER 77 H SER 77 -12.026 20.177 -20.259 602 HA SER 77 HA SER 77 -10.134 21.938 -21.385 603 HB2 SER 77 2HB SER 77 -9.516 22.989 -19.465 604 HB3 SER 77 3HB SER 77 -10.156 21.708 -18.436 605 HG SER 77 HG SER 77 -7.653 22.149 -18.993 606 H LYS 78 H LYS 78 -8.999 20.641 -22.649 607 HA LYS 78 HA LYS 78 -9.019 17.862 -22.536 608 HB2 LYS 78 2HB LYS 78 -7.721 19.909 -24.117 609 HB3 LYS 78 3HB LYS 78 -6.630 18.561 -23.828 610 HG2 LYS 78 2HG LYS 78 -9.322 17.743 -24.609 611 HG3 LYS 78 3HG LYS 78 -8.481 18.703 -25.828 612 HD2 LYS 78 2HD LYS 78 -6.861 16.601 -24.560 613 HD3 LYS 78 3HD LYS 78 -8.215 16.017 -25.530 614 HE2 LYS 78 2HE LYS 78 -7.157 16.506 -27.427 615 HE3 LYS 78 3HE LYS 78 -6.816 18.147 -26.882 616 HZ1 LYS 78 1HZ LYS 78 -4.865 17.368 -25.751 617 HZ2 LYS 78 2HZ LYS 78 -4.800 16.851 -27.359 618 HZ3 LYS 78 3HZ LYS 78 -5.217 15.759 -26.137 619 H GLU 79 H GLU 79 -7.047 20.145 -20.848 620 HA GLU 79 HA GLU 79 -4.889 18.407 -20.214 621 HB2 GLU 79 2HB GLU 79 -5.689 21.114 -19.606 622 HB3 GLU 79 3HB GLU 79 -5.110 20.305 -18.157 623 HG2 GLU 79 2HG GLU 79 -3.140 21.111 -18.919 624 HG3 GLU 79 3HG GLU 79 -3.159 19.578 -19.791 625 H ILE 80 H ILE 80 -7.506 19.649 -18.127 626 HA ILE 80 HA ILE 80 -7.025 17.837 -16.026 627 HB ILE 80 HB ILE 80 -9.626 19.228 -16.672 628 HG12 ILE 80 2HG1 ILE 80 -7.378 20.166 -14.881 629 HG13 ILE 80 3HG1 ILE 80 -7.652 20.758 -16.515 630 HG21 ILE 80 1HG2 ILE 80 -8.546 17.995 -14.146 631 HG22 ILE 80 2HG2 ILE 80 -9.951 19.058 -14.195 632 HG23 ILE 80 3HG2 ILE 80 -9.981 17.515 -15.050 633 HD11 ILE 80 1HD1 ILE 80 -9.397 21.111 -14.101 634 HD12 ILE 80 2HD1 ILE 80 -8.591 22.350 -15.063 635 HD13 ILE 80 3HD1 ILE 80 -9.948 21.452 -15.742 636 H ASP 81 H ASP 81 -9.262 17.744 -18.764 637 HA ASP 81 HA ASP 81 -10.733 15.490 -18.060 638 HB2 ASP 81 2HB ASP 81 -11.005 17.134 -20.060 639 HB3 ASP 81 3HB ASP 81 -9.948 16.011 -20.911 640 H MET 82 H MET 82 -7.703 15.712 -19.902 641 HA MET 82 HA MET 82 -7.420 12.978 -20.448 642 HB2 MET 82 2HB MET 82 -6.109 14.842 -21.497 643 HB3 MET 82 3HB MET 82 -5.183 14.960 -20.008 644 HG2 MET 82 2HG MET 82 -3.803 13.418 -20.771 645 HG3 MET 82 3HG MET 82 -5.128 12.257 -20.771 646 HE1 MET 82 1HE MET 82 -5.779 11.027 -22.610 647 HE2 MET 82 2HE MET 82 -6.930 12.260 -23.124 648 HE3 MET 82 3HE MET 82 -5.840 11.526 -24.301 649 H ALA 83 H ALA 83 -6.053 14.931 -17.802 650 HA ALA 83 HA ALA 83 -4.622 12.978 -16.482 651 HB1 ALA 83 1HB ALA 83 -5.905 14.617 -14.530 652 HB2 ALA 83 2HB ALA 83 -4.239 14.674 -15.106 653 HB3 ALA 83 3HB ALA 83 -5.490 15.605 -15.931 654 H ILE 84 H ILE 84 -8.082 13.632 -16.373 655 HA ILE 84 HA ILE 84 -8.697 11.903 -14.224 656 HB ILE 84 HB ILE 84 -10.455 12.797 -16.511 657 HG12 ILE 84 2HG1 ILE 84 -10.598 13.889 -13.731 658 HG13 ILE 84 3HG1 ILE 84 -9.331 14.470 -14.806 659 HG21 ILE 84 1HG2 ILE 84 -12.191 12.347 -14.555 660 HG22 ILE 84 2HG2 ILE 84 -11.703 11.084 -15.684 661 HG23 ILE 84 3HG2 ILE 84 -10.966 11.171 -14.084 662 HD11 ILE 84 1HD1 ILE 84 -11.922 15.418 -14.620 663 HD12 ILE 84 2HD1 ILE 84 -10.751 15.782 -15.888 664 HD13 ILE 84 3HD1 ILE 84 -11.909 14.470 -16.106 665 H VAL 85 H VAL 85 -9.167 11.438 -17.732 666 HA VAL 85 HA VAL 85 -9.987 8.798 -17.683 667 HB VAL 85 HB VAL 85 -8.283 10.137 -19.789 668 HG11 VAL 85 1HG1 VAL 85 -9.956 7.631 -19.890 669 HG12 VAL 85 2HG1 VAL 85 -9.278 8.438 -21.306 670 HG13 VAL 85 3HG1 VAL 85 -8.208 7.752 -20.083 671 HG21 VAL 85 1HG2 VAL 85 -10.365 10.639 -20.910 672 HG22 VAL 85 2HG2 VAL 85 -11.281 9.821 -19.644 673 HG23 VAL 85 3HG2 VAL 85 -10.401 11.305 -19.277 674 H THR 86 H THR 86 -6.793 10.124 -17.285 675 HA THR 86 HA THR 86 -5.334 7.735 -17.774 676 HB THR 86 HB THR 86 -4.571 10.178 -16.163 677 HG1 THR 86 HG1 THR 86 -4.978 10.095 -18.648 678 HG21 THR 86 1HG2 THR 86 -2.307 8.865 -17.228 679 HG22 THR 86 2HG2 THR 86 -3.277 7.638 -16.413 680 HG23 THR 86 3HG2 THR 86 -2.745 9.069 -15.532 681 H LEU 87 H LEU 87 -6.122 9.399 -14.715 682 HA LEU 87 HA LEU 87 -5.160 7.503 -12.957 683 HB2 LEU 87 2HB LEU 87 -7.205 9.625 -12.846 684 HB3 LEU 87 3HB LEU 87 -7.314 8.384 -11.600 685 HG LEU 87 HG LEU 87 -6.070 10.363 -10.850 686 HD11 LEU 87 1HD1 LEU 87 -4.412 9.193 -9.735 687 HD12 LEU 87 2HD1 LEU 87 -4.084 8.142 -11.112 688 HD13 LEU 87 3HD1 LEU 87 -5.556 7.924 -10.167 689 HD21 LEU 87 1HD2 LEU 87 -3.810 10.765 -11.796 690 HD22 LEU 87 2HD2 LEU 87 -5.121 11.118 -12.924 691 HD23 LEU 87 3HD2 LEU 87 -4.191 9.627 -13.090 692 H LYS 88 H LYS 88 -8.192 7.546 -14.723 693 HA LYS 88 HA LYS 88 -9.400 5.382 -13.326 694 HB2 LYS 88 2HB LYS 88 -10.010 6.205 -16.162 695 HB3 LYS 88 3HB LYS 88 -11.088 5.437 -15.001 696 HG2 LYS 88 2HG LYS 88 -10.271 7.817 -13.790 697 HG3 LYS 88 3HG LYS 88 -10.596 8.227 -15.476 698 HD2 LYS 88 2HD LYS 88 -12.737 6.694 -14.973 699 HD3 LYS 88 3HD LYS 88 -12.439 7.315 -13.347 700 HE2 LYS 88 2HE LYS 88 -12.804 9.513 -13.985 701 HE3 LYS 88 3HE LYS 88 -12.478 9.180 -15.685 702 HZ1 LYS 88 1HZ LYS 88 -14.731 7.729 -14.651 703 HZ2 LYS 88 2HZ LYS 88 -14.601 8.664 -16.054 704 HZ3 LYS 88 3HZ LYS 88 -14.936 9.407 -14.572 705 H VAL 89 H VAL 89 -7.973 5.551 -16.594 706 HA VAL 89 HA VAL 89 -8.059 2.819 -17.144 707 HB VAL 89 HB VAL 89 -6.051 4.850 -18.131 708 HG11 VAL 89 1HG1 VAL 89 -6.792 2.138 -19.224 709 HG12 VAL 89 2HG1 VAL 89 -5.742 3.310 -20.022 710 HG13 VAL 89 3HG1 VAL 89 -5.253 2.586 -18.490 711 HG21 VAL 89 1HG2 VAL 89 -8.592 5.195 -18.494 712 HG22 VAL 89 2HG2 VAL 89 -7.502 5.354 -19.871 713 HG23 VAL 89 3HG2 VAL 89 -8.437 3.874 -19.653 714 H PHE 90 H PHE 90 -5.774 4.700 -15.289 715 HA PHE 90 HA PHE 90 -3.687 2.791 -15.207 716 HB2 PHE 90 2HB PHE 90 -3.824 5.353 -14.471 717 HB3 PHE 90 3HB PHE 90 -4.107 4.620 -12.896 718 HD1 PHE 90 HD1 PHE 90 -2.396 2.319 -12.845 719 HD2 PHE 90 HD2 PHE 90 -1.676 6.163 -14.526 720 HE1 PHE 90 HE1 PHE 90 0.026 1.983 -12.567 721 HE2 PHE 90 HE2 PHE 90 0.747 5.832 -14.251 722 HZ PHE 90 HZ PHE 90 1.601 3.741 -13.270 723 H ALA 91 H ALA 91 -6.240 3.582 -12.853 724 HA ALA 91 HA ALA 91 -5.625 1.662 -10.942 725 HB1 ALA 91 1HB ALA 91 -8.391 2.619 -11.660 726 HB2 ALA 91 2HB ALA 91 -7.867 1.944 -10.117 727 HB3 ALA 91 3HB ALA 91 -7.252 3.509 -10.649 728 H VAL 92 H VAL 92 -7.750 1.407 -13.774 729 HA VAL 92 HA VAL 92 -8.544 -1.274 -13.265 730 HB VAL 92 HB VAL 92 -8.546 0.221 -15.891 731 HG11 VAL 92 1HG1 VAL 92 -8.749 -2.229 -16.105 732 HG12 VAL 92 2HG1 VAL 92 -10.150 -2.185 -15.033 733 HG13 VAL 92 3HG1 VAL 92 -10.213 -1.380 -16.601 734 HG21 VAL 92 1HG2 VAL 92 -11.137 0.016 -14.814 735 HG22 VAL 92 2HG2 VAL 92 -10.094 0.585 -13.510 736 HG23 VAL 92 3HG2 VAL 92 -10.168 1.473 -15.032 737 H ALA 93 H ALA 93 -6.200 0.137 -15.548 738 HA ALA 93 HA ALA 93 -5.286 -2.213 -16.704 739 HB1 ALA 93 1HB ALA 93 -3.333 -0.984 -17.373 740 HB2 ALA 93 2HB ALA 93 -4.735 0.083 -17.470 741 HB3 ALA 93 3HB ALA 93 -3.611 0.224 -16.118 742 H GLY 94 H GLY 94 -4.680 -0.919 -13.548 743 HA2 GLY 94 2HA GLY 94 -2.454 -2.771 -13.101 744 HA3 GLY 94 3HA GLY 94 -2.959 -1.481 -12.019 745 H LEU 95 H LEU 95 -5.188 -1.798 -11.044 746 HA LEU 95 HA LEU 95 -5.218 -4.154 -9.541 747 HB2 LEU 95 2HB LEU 95 -7.269 -2.029 -10.057 748 HB3 LEU 95 3HB LEU 95 -7.636 -3.427 -9.049 749 HG LEU 95 HG LEU 95 -7.060 -1.569 -7.642 750 HD11 LEU 95 1HD1 LEU 95 -5.414 -2.575 -6.294 751 HD12 LEU 95 2HD1 LEU 95 -4.647 -3.359 -7.674 752 HD13 LEU 95 3HD1 LEU 95 -6.229 -3.904 -7.117 753 HD21 LEU 95 1HD2 LEU 95 -5.116 -0.284 -7.820 754 HD22 LEU 95 2HD2 LEU 95 -5.675 -0.456 -9.485 755 HD23 LEU 95 3HD2 LEU 95 -4.337 -1.444 -8.898 756 H LEU 96 H LEU 96 -7.292 -3.185 -12.268 757 HA LEU 96 HA LEU 96 -8.576 -5.758 -12.370 758 HB2 LEU 96 2HB LEU 96 -9.116 -3.190 -13.338 759 HB3 LEU 96 3HB LEU 96 -8.886 -4.192 -14.768 760 HG LEU 96 HG LEU 96 -10.588 -5.641 -13.063 761 HD11 LEU 96 1HD1 LEU 96 -10.846 -3.298 -12.006 762 HD12 LEU 96 2HD1 LEU 96 -12.294 -4.221 -12.404 763 HD13 LEU 96 3HD1 LEU 96 -11.760 -2.918 -13.466 764 HD21 LEU 96 1HD2 LEU 96 -12.171 -5.370 -14.870 765 HD22 LEU 96 2HD2 LEU 96 -10.555 -5.622 -15.529 766 HD23 LEU 96 3HD2 LEU 96 -11.256 -4.003 -15.506 767 H ASN 97 H ASN 97 -5.582 -4.752 -13.259 768 HA ASN 97 HA ASN 97 -3.964 -5.521 -14.665 769 HB2 ASN 97 2HB ASN 97 -5.559 -8.044 -15.011 770 HB3 ASN 97 3HB ASN 97 -3.813 -7.846 -14.899 771 HD21 ASN 97 1HD2 ASN 97 -3.116 -6.826 -12.744 772 HD22 ASN 97 2HD2 ASN 97 -3.843 -7.507 -11.332 773 H MET 98 H MET 98 -5.823 -3.912 -15.918 774 HA MET 98 HA MET 98 -6.479 -3.249 -17.991 775 HB2 MET 98 2HB MET 98 -4.120 -4.492 -18.408 776 HB3 MET 98 3HB MET 98 -5.168 -5.503 -19.393 777 HG2 MET 98 2HG MET 98 -6.001 -3.240 -20.357 778 HG3 MET 98 3HG MET 98 -4.489 -2.617 -19.702 779 HE1 MET 98 1HE MET 98 -4.776 -6.215 -22.403 780 HE2 MET 98 2HE MET 98 -6.039 -5.500 -21.401 781 HE3 MET 98 3HE MET 98 -5.767 -4.902 -23.038 782 H THR 99 H THR 99 -7.785 -3.913 -19.905 783 HA THR 99 HA THR 99 -8.951 -6.431 -20.197 784 HB THR 99 HB THR 99 -9.998 -6.238 -18.075 785 HG1 THR 99 HG1 THR 99 -11.503 -6.987 -19.503 786 HG21 THR 99 1HG2 THR 99 -11.425 -4.271 -17.496 787 HG22 THR 99 2HG2 THR 99 -10.805 -3.459 -18.934 788 HG23 THR 99 3HG2 THR 99 -9.708 -3.895 -17.624 789 H VAL 100 H VAL 100 -9.340 -2.952 -20.421 790 HA VAL 100 HA VAL 100 -11.200 -3.123 -22.628 791 HB VAL 100 HB VAL 100 -11.021 -0.669 -22.708 792 HG11 VAL 100 1HG1 VAL 100 -12.454 -0.421 -20.988 793 HG12 VAL 100 2HG1 VAL 100 -12.283 -2.172 -20.842 794 HG13 VAL 100 3HG1 VAL 100 -11.326 -1.102 -19.815 795 HG21 VAL 100 1HG2 VAL 100 -9.464 -0.449 -20.241 796 HG22 VAL 100 2HG2 VAL 100 -8.536 -1.019 -21.628 797 HG23 VAL 100 3HG2 VAL 100 -9.398 0.518 -21.714 798 H SER 101 H SER 101 -10.515 -1.361 -24.457 799 HA SER 101 HA SER 101 -7.950 -2.353 -25.514 800 HB2 SER 101 2HB SER 101 -9.782 -1.163 -27.465 801 HB3 SER 101 3HB SER 101 -8.925 -2.703 -27.518 802 HG SER 101 HG SER 101 -10.892 -3.440 -27.245 803 H THR 102 H THR 102 -9.885 0.448 -24.823 804 HA THR 102 HA THR 102 -7.601 2.153 -25.548 805 HB THR 102 HB THR 102 -8.986 3.837 -26.497 806 HG1 THR 102 HG1 THR 102 -11.339 3.388 -26.611 807 HG21 THR 102 1HG2 THR 102 -10.399 1.574 -27.751 808 HG22 THR 102 2HG2 THR 102 -8.642 1.433 -27.696 809 HG23 THR 102 3HG2 THR 102 -9.391 2.826 -28.478 810 H ALA 103 H ALA 103 -7.460 4.144 -24.364 811 HA ALA 103 HA ALA 103 -7.889 3.898 -21.626 812 HB1 ALA 103 1HB ALA 103 -6.327 5.484 -21.890 813 HB2 ALA 103 2HB ALA 103 -6.980 6.010 -23.443 814 HB3 ALA 103 3HB ALA 103 -7.698 6.594 -21.941 815 H ALA 104 H ALA 104 -9.874 5.404 -24.113 816 HA ALA 104 HA ALA 104 -11.696 6.704 -22.394 817 HB1 ALA 104 1HB ALA 104 -12.351 5.654 -25.135 818 HB2 ALA 104 2HB ALA 104 -13.048 7.045 -24.302 819 HB3 ALA 104 3HB ALA 104 -11.380 7.102 -24.870 820 H ALA 105 H ALA 105 -11.766 3.512 -23.947 821 HA ALA 105 HA ALA 105 -14.306 2.719 -23.092 822 HB1 ALA 105 1HB ALA 105 -11.907 0.950 -23.547 823 HB2 ALA 105 2HB ALA 105 -13.601 0.457 -23.568 824 HB3 ALA 105 3HB ALA 105 -12.983 1.547 -24.811 825 H ALA 106 H ALA 106 -11.158 2.480 -21.509 826 HA ALA 106 HA ALA 106 -11.991 0.900 -19.322 827 HB1 ALA 106 1HB ALA 106 -9.849 2.707 -18.633 828 HB2 ALA 106 2HB ALA 106 -9.828 0.952 -18.811 829 HB3 ALA 106 3HB ALA 106 -9.591 1.985 -20.221 830 H GLU 107 H GLU 107 -11.616 4.419 -19.685 831 HA GLU 107 HA GLU 107 -12.345 5.145 -17.090 832 HB2 GLU 107 2HB GLU 107 -11.336 6.724 -18.649 833 HB3 GLU 107 3HB GLU 107 -12.758 6.647 -19.680 834 HG2 GLU 107 2HG GLU 107 -13.493 7.359 -16.992 835 HG3 GLU 107 3HG GLU 107 -12.253 8.446 -17.614 836 H ASN 108 H ASN 108 -14.365 4.842 -20.001 837 HA ASN 108 HA ASN 108 -16.797 5.596 -18.891 838 HB2 ASN 108 2HB ASN 108 -15.896 4.414 -21.324 839 HB3 ASN 108 3HB ASN 108 -17.274 3.481 -20.747 840 HD21 ASN 108 1HD2 ASN 108 -16.428 6.927 -20.659 841 HD22 ASN 108 2HD2 ASN 108 -17.889 7.478 -21.399 842 H MET 109 H MET 109 -15.271 2.398 -19.011 843 HA MET 109 HA MET 109 -17.421 1.031 -17.756 844 HB2 MET 109 2HB MET 109 -15.135 0.265 -19.059 845 HB3 MET 109 3HB MET 109 -14.745 -0.120 -17.388 846 HG2 MET 109 2HG MET 109 -17.290 -1.109 -17.663 847 HG3 MET 109 3HG MET 109 -16.565 -1.432 -19.235 848 HE1 MET 109 1HE MET 109 -14.920 -1.986 -15.292 849 HE2 MET 109 2HE MET 109 -16.638 -1.759 -15.618 850 HE3 MET 109 3HE MET 109 -16.008 -3.374 -15.288 851 H TYR 110 H TYR 110 -14.448 2.520 -16.574 852 HA TYR 110 HA TYR 110 -14.453 1.594 -13.961 853 HB2 TYR 110 2HB TYR 110 -12.628 2.922 -14.997 854 HB3 TYR 110 3HB TYR 110 -13.640 4.357 -14.888 855 HD1 TYR 110 HD1 TYR 110 -13.843 5.566 -12.852 856 HD2 TYR 110 HD2 TYR 110 -11.822 1.822 -12.907 857 HE1 TYR 110 HE1 TYR 110 -13.000 5.996 -10.582 858 HE2 TYR 110 HE2 TYR 110 -10.974 2.240 -10.637 859 HH TYR 110 HH TYR 110 -12.104 4.072 -8.558 860 H SER 111 H SER 111 -16.125 4.396 -15.343 861 HA SER 111 HA SER 111 -17.354 5.052 -12.806 862 HB2 SER 111 2HB SER 111 -18.263 6.957 -13.902 863 HB3 SER 111 3HB SER 111 -16.639 6.757 -14.560 864 HG SER 111 HG SER 111 -19.117 6.111 -15.759 865 H GLN 112 H GLN 112 -18.205 3.430 -15.784 866 HA GLN 112 HA GLN 112 -20.990 3.391 -15.510 867 HB2 GLN 112 2HB GLN 112 -19.905 2.744 -17.583 868 HB3 GLN 112 3HB GLN 112 -19.145 1.369 -16.791 869 HG2 GLN 112 2HG GLN 112 -20.979 0.559 -18.061 870 HG3 GLN 112 3HG GLN 112 -21.415 0.450 -16.356 871 HE21 GLN 112 1HE2 GLN 112 -23.361 1.137 -15.858 872 HE22 GLN 112 2HE2 GLN 112 -24.301 2.280 -16.749 873 H MET 113 H MET 113 -18.509 1.605 -13.884 874 HA MET 113 HA MET 113 -20.354 -0.386 -12.856 875 HB2 MET 113 2HB MET 113 -17.972 -0.917 -13.453 876 HB3 MET 113 3HB MET 113 -17.469 0.069 -12.087 877 HG2 MET 113 2HG MET 113 -17.814 -1.588 -10.662 878 HG3 MET 113 3HG MET 113 -19.440 -1.867 -11.284 879 HE1 MET 113 1HE MET 113 -15.750 -2.910 -11.250 880 HE2 MET 113 2HE MET 113 -16.822 -3.896 -10.255 881 HE3 MET 113 3HE MET 113 -15.984 -4.616 -11.632 882 H GLY 114 H GLY 114 -19.020 2.660 -11.924 883 HA2 GLY 114 2HA GLY 114 -20.192 3.907 -10.201 884 HA3 GLY 114 3HA GLY 114 -20.379 2.399 -9.317 885 H LEU 115 H LEU 115 -17.361 3.161 -10.858 886 HA LEU 115 HA LEU 115 -16.091 3.278 -8.233 887 HB2 LEU 115 2HB LEU 115 -14.671 3.282 -10.875 888 HB3 LEU 115 3HB LEU 115 -14.069 2.759 -9.303 889 HG LEU 115 HG LEU 115 -16.151 1.317 -10.945 890 HD11 LEU 115 1HD1 LEU 115 -14.315 -0.389 -11.147 891 HD12 LEU 115 2HD1 LEU 115 -13.207 0.843 -10.546 892 HD13 LEU 115 3HD1 LEU 115 -14.072 1.100 -12.061 893 HD21 LEU 115 1HD2 LEU 115 -15.271 -0.485 -9.170 894 HD22 LEU 115 2HD2 LEU 115 -16.669 0.552 -8.880 895 HD23 LEU 115 3HD2 LEU 115 -15.096 0.981 -8.205 896 H ASP 116 H ASP 116 -16.857 5.295 -10.937 897 HA ASP 116 HA ASP 116 -15.062 7.416 -10.057 898 HB2 ASP 116 2HB ASP 116 -15.495 6.812 -12.510 899 HB3 ASP 116 3HB ASP 116 -17.060 7.593 -12.306 900 H THR 117 H THR 117 -16.017 9.670 -9.968 901 HA THR 117 HA THR 117 -18.189 9.642 -8.064 902 HB THR 117 HB THR 117 -17.553 12.313 -8.720 903 HG1 THR 117 HG1 THR 117 -15.230 10.678 -8.454 904 HG21 THR 117 1HG2 THR 117 -16.356 10.763 -6.438 905 HG22 THR 117 2HG2 THR 117 -18.073 11.163 -6.489 906 HG23 THR 117 3HG2 THR 117 -16.868 12.450 -6.477 907 H ARG 118 H ARG 118 -17.634 11.757 -10.880 908 HA ARG 118 HA ARG 118 -19.042 12.599 -12.455 909 HB2 ARG 118 2HB ARG 118 -19.472 10.026 -12.638 910 HB3 ARG 118 3HB ARG 118 -21.016 10.415 -11.893 911 HG2 ARG 118 2HG ARG 118 -21.095 12.219 -13.816 912 HG3 ARG 118 3HG ARG 118 -19.986 11.087 -14.593 913 HD2 ARG 118 2HD ARG 118 -22.237 9.726 -13.386 914 HD3 ARG 118 3HD ARG 118 -22.762 10.943 -14.549 915 HE ARG 118 HE ARG 118 -21.547 8.449 -15.138 916 HH11 ARG 118 1HH1 ARG 118 -21.681 11.768 -16.182 917 HH12 ARG 118 2HH1 ARG 118 -21.286 11.402 -17.828 918 HH21 ARG 118 1HH2 ARG 118 -21.027 7.955 -17.303 919 HH22 ARG 118 2HH2 ARG 118 -20.916 9.233 -18.465 920 HA PRO 119 HA PRO 119 -21.619 14.427 -9.043 921 HB2 PRO 119 2HB PRO 119 -20.751 16.971 -9.429 922 HB3 PRO 119 3HB PRO 119 -19.911 15.817 -8.385 923 HG2 PRO 119 2HG PRO 119 -19.299 16.614 -11.205 924 HG3 PRO 119 3HG PRO 119 -18.188 16.373 -9.845 925 HD2 PRO 119 2HD PRO 119 -18.561 14.506 -11.771 926 HD3 PRO 119 3HD PRO 119 -18.190 14.081 -10.088 Start of MODEL 13 1 H1 GLY 2 H GLY 2 4.161 -1.445 2.176 2 HA2 GLY 2 2HA GLY 2 4.192 -1.124 -0.354 3 HA3 GLY 2 3HA GLY 2 2.650 -0.797 0.423 4 H ASN 3 H ASN 3 5.644 0.730 -0.689 5 HA ASN 3 HA ASN 3 4.090 3.061 -1.503 6 HB2 ASN 3 2HB ASN 3 5.701 3.068 0.825 7 HB3 ASN 3 3HB ASN 3 6.563 4.004 -0.392 8 HD21 ASN 3 1HD2 ASN 3 3.522 3.686 1.328 9 HD22 ASN 3 2HD2 ASN 3 3.033 5.333 1.146 10 H LEU 4 H LEU 4 4.494 3.179 -3.609 11 HA LEU 4 HA LEU 4 5.587 3.291 -5.599 12 HB2 LEU 4 2HB LEU 4 7.091 4.742 -3.849 13 HB3 LEU 4 3HB LEU 4 8.273 3.585 -4.456 14 HG LEU 4 HG LEU 4 8.323 5.701 -5.692 15 HD11 LEU 4 1HD1 LEU 4 7.268 3.422 -7.360 16 HD12 LEU 4 2HD1 LEU 4 8.930 3.581 -6.794 17 HD13 LEU 4 3HD1 LEU 4 8.265 4.767 -7.918 18 HD21 LEU 4 1HD2 LEU 4 5.550 5.001 -6.640 19 HD22 LEU 4 2HD2 LEU 4 6.492 6.438 -7.035 20 HD23 LEU 4 3HD2 LEU 4 5.891 6.201 -5.393 21 H LYS 5 H LYS 5 5.358 0.747 -4.145 22 HA LYS 5 HA LYS 5 7.591 -0.871 -4.265 23 HB2 LYS 5 2HB LYS 5 4.663 -1.334 -4.469 24 HB3 LYS 5 3HB LYS 5 5.715 -2.649 -4.974 25 HG2 LYS 5 2HG LYS 5 6.349 -1.390 -2.381 26 HG3 LYS 5 3HG LYS 5 4.855 -2.327 -2.462 27 HD2 LYS 5 2HD LYS 5 6.923 -3.785 -3.777 28 HD3 LYS 5 3HD LYS 5 7.510 -3.274 -2.193 29 HE2 LYS 5 2HE LYS 5 4.884 -4.677 -2.669 30 HE3 LYS 5 3HE LYS 5 6.373 -5.490 -2.191 31 HZ1 LYS 5 1HZ LYS 5 5.735 -5.096 -0.114 32 HZ2 LYS 5 2HZ LYS 5 4.517 -4.024 -0.590 33 HZ3 LYS 5 3HZ LYS 5 6.100 -3.465 -0.382 34 H SER 6 H SER 6 8.917 -1.357 -5.873 35 HA SER 6 HA SER 6 8.456 -0.678 -8.558 36 HB2 SER 6 2HB SER 6 10.532 -2.202 -7.075 37 HB3 SER 6 3HB SER 6 10.439 -2.470 -8.815 38 HG SER 6 HG SER 6 11.432 -0.646 -9.037 39 H ARG 7 H ARG 7 7.614 -3.471 -6.723 40 HA ARG 7 HA ARG 7 7.395 -5.353 -8.817 41 HB2 ARG 7 2HB ARG 7 6.693 -5.194 -6.006 42 HB3 ARG 7 3HB ARG 7 5.453 -6.027 -6.931 43 HG2 ARG 7 2HG ARG 7 7.688 -7.198 -7.909 44 HG3 ARG 7 3HG ARG 7 8.179 -6.858 -6.248 45 HD2 ARG 7 2HD ARG 7 6.250 -8.043 -5.398 46 HD3 ARG 7 3HD ARG 7 5.648 -8.294 -7.036 47 HE ARG 7 HE ARG 7 8.146 -9.421 -7.012 48 HH11 ARG 7 1HH1 ARG 7 5.203 -9.836 -5.199 49 HH12 ARG 7 2HH1 ARG 7 5.481 -11.517 -4.883 50 HH21 ARG 7 1HH2 ARG 7 8.523 -11.635 -6.604 51 HH22 ARG 7 2HH2 ARG 7 7.370 -12.538 -5.683 52 H ASP 8 H ASP 8 4.844 -3.482 -7.164 53 HA ASP 8 HA ASP 8 2.888 -4.158 -9.149 54 HB2 ASP 8 2HB ASP 8 2.910 -2.935 -6.549 55 HB3 ASP 8 3HB ASP 8 2.002 -1.919 -7.666 56 H TRP 9 H TRP 9 5.036 -1.465 -8.539 57 HA TRP 9 HA TRP 9 3.833 0.427 -10.235 58 HB2 TRP 9 2HB TRP 9 5.491 1.147 -8.654 59 HB3 TRP 9 3HB TRP 9 6.703 0.078 -9.357 60 HD1 TRP 9 HD1 TRP 9 8.456 1.594 -10.444 61 HE1 TRP 9 HE1 TRP 9 8.410 3.617 -12.034 62 HE3 TRP 9 HE3 TRP 9 3.401 2.324 -10.685 63 HZ2 TRP 9 HZ2 TRP 9 6.486 5.300 -13.232 64 HZ3 TRP 9 HZ3 TRP 9 2.540 4.162 -12.075 65 HH2 TRP 9 HH2 TRP 9 4.052 5.619 -13.321 66 H LYS 10 H LYS 10 6.517 -1.833 -10.843 67 HA LYS 10 HA LYS 10 6.713 -1.160 -13.609 68 HB2 LYS 10 2HB LYS 10 8.524 -2.171 -12.097 69 HB3 LYS 10 3HB LYS 10 7.719 -3.711 -12.365 70 HG2 LYS 10 2HG LYS 10 9.435 -3.660 -13.941 71 HG3 LYS 10 3HG LYS 10 7.988 -3.227 -14.853 72 HD2 LYS 10 2HD LYS 10 8.645 -0.795 -14.369 73 HD3 LYS 10 3HD LYS 10 10.220 -1.449 -13.914 74 HE2 LYS 10 2HE LYS 10 9.539 -2.644 -16.367 75 HE3 LYS 10 3HE LYS 10 9.152 -0.931 -16.525 76 HZ1 LYS 10 1HZ LYS 10 11.535 -0.778 -15.373 77 HZ2 LYS 10 2HZ LYS 10 11.323 -0.811 -17.050 78 HZ3 LYS 10 3HZ LYS 10 11.735 -2.227 -16.222 79 H MET 11 H MET 11 4.991 -3.589 -11.763 80 HA MET 11 HA MET 11 4.264 -5.243 -13.945 81 HB2 MET 11 2HB MET 11 4.169 -6.035 -11.636 82 HB3 MET 11 3HB MET 11 2.919 -4.855 -11.265 83 HG2 MET 11 2HG MET 11 1.362 -6.291 -11.880 84 HG3 MET 11 3HG MET 11 2.057 -6.374 -13.497 85 HE1 MET 11 1HE MET 11 2.787 -9.350 -14.223 86 HE2 MET 11 2HE MET 11 3.531 -7.755 -14.346 87 HE3 MET 11 3HE MET 11 4.416 -9.086 -13.600 88 H ALA 12 H ALA 12 2.587 -2.597 -12.272 89 HA ALA 12 HA ALA 12 0.215 -2.708 -13.789 90 HB1 ALA 12 1HB ALA 12 1.490 -0.510 -12.183 91 HB2 ALA 12 2HB ALA 12 -0.066 -0.319 -12.993 92 HB3 ALA 12 3HB ALA 12 0.131 -1.544 -11.740 93 H ILE 13 H ILE 13 2.937 -0.408 -14.031 94 HA ILE 13 HA ILE 13 2.126 0.951 -16.291 95 HB ILE 13 HB ILE 13 4.945 0.248 -15.468 96 HG12 ILE 13 2HG1 ILE 13 3.586 1.535 -13.817 97 HG13 ILE 13 3HG1 ILE 13 4.980 2.426 -14.419 98 HG21 ILE 13 1HG2 ILE 13 5.209 0.891 -17.675 99 HG22 ILE 13 2HG2 ILE 13 3.871 2.037 -17.609 100 HG23 ILE 13 3HG2 ILE 13 5.399 2.418 -16.814 101 HD11 ILE 13 1HD1 ILE 13 2.531 2.871 -15.947 102 HD12 ILE 13 2HD1 ILE 13 2.448 3.392 -14.264 103 HD13 ILE 13 3HD1 ILE 13 3.711 4.022 -15.321 104 H LYS 14 H LYS 14 3.813 -2.134 -16.054 105 HA LYS 14 HA LYS 14 4.479 -2.457 -18.755 106 HB2 LYS 14 2HB LYS 14 4.104 -4.283 -16.433 107 HB3 LYS 14 3HB LYS 14 4.148 -5.004 -18.037 108 HG2 LYS 14 2HG LYS 14 6.287 -3.111 -17.145 109 HG3 LYS 14 3HG LYS 14 6.334 -4.819 -16.703 110 HD2 LYS 14 2HD LYS 14 5.905 -5.140 -19.289 111 HD3 LYS 14 3HD LYS 14 6.630 -3.532 -19.372 112 HE2 LYS 14 2HE LYS 14 8.207 -5.101 -17.617 113 HE3 LYS 14 3HE LYS 14 7.910 -6.059 -19.067 114 HZ1 LYS 14 1HZ LYS 14 9.158 -3.378 -18.893 115 HZ2 LYS 14 2HZ LYS 14 8.636 -4.050 -20.354 116 HZ3 LYS 14 3HZ LYS 14 9.855 -4.812 -19.461 117 H ARG 15 H ARG 15 1.633 -3.641 -16.965 118 HA ARG 15 HA ARG 15 0.349 -4.746 -19.229 119 HB2 ARG 15 2HB ARG 15 -0.670 -3.895 -16.521 120 HB3 ARG 15 3HB ARG 15 -1.712 -4.621 -17.739 121 HG2 ARG 15 2HG ARG 15 -0.263 -6.611 -17.755 122 HG3 ARG 15 3HG ARG 15 0.712 -5.884 -16.476 123 HD2 ARG 15 2HD ARG 15 -0.691 -6.677 -14.950 124 HD3 ARG 15 3HD ARG 15 -2.010 -5.766 -15.682 125 HE ARG 15 HE ARG 15 -2.810 -7.726 -16.524 126 HH11 ARG 15 1HH1 ARG 15 0.570 -8.132 -15.799 127 HH12 ARG 15 2HH1 ARG 15 0.583 -9.822 -16.183 128 HH21 ARG 15 1HH2 ARG 15 -2.807 -9.949 -17.032 129 HH22 ARG 15 2HH2 ARG 15 -1.338 -10.854 -16.884 130 H CYS 16 H CYS 16 -0.116 -1.668 -17.507 131 HA CYS 16 HA CYS 16 -2.175 -0.677 -19.130 132 HB2 CYS 16 2HB CYS 16 -0.070 0.912 -17.649 133 HB3 CYS 16 3HB CYS 16 -1.628 1.512 -18.201 134 HG CYS 16 HG CYS 16 -2.630 1.155 -15.863 135 H SER 17 H SER 17 1.169 -1.057 -19.736 136 HA SER 17 HA SER 17 1.655 1.021 -21.549 137 HB2 SER 17 2HB SER 17 3.677 0.045 -21.769 138 HB3 SER 17 3HB SER 17 3.120 -1.078 -20.528 139 HG SER 17 HG SER 17 3.271 -1.421 -23.310 140 H ASN 18 H ASN 18 -0.306 -1.761 -21.830 141 HA ASN 18 HA ASN 18 -0.301 -1.676 -24.751 142 HB2 ASN 18 2HB ASN 18 -0.341 -3.818 -23.176 143 HB3 ASN 18 3HB ASN 18 -2.078 -3.526 -23.227 144 HD21 ASN 18 1HD2 ASN 18 0.727 -3.744 -25.383 145 HD22 ASN 18 2HD2 ASN 18 -0.102 -4.563 -26.658 146 H VAL 19 H VAL 19 -1.419 0.491 -23.093 147 HA VAL 19 HA VAL 19 -4.283 0.285 -23.677 148 HB VAL 19 HB VAL 19 -3.465 1.059 -21.407 149 HG11 VAL 19 1HG1 VAL 19 -2.896 3.641 -22.846 150 HG12 VAL 19 2HG1 VAL 19 -2.642 3.274 -21.140 151 HG13 VAL 19 3HG1 VAL 19 -1.643 2.497 -22.368 152 HG21 VAL 19 1HG2 VAL 19 -5.644 1.596 -21.517 153 HG22 VAL 19 2HG2 VAL 19 -5.050 3.245 -21.712 154 HG23 VAL 19 3HG2 VAL 19 -5.496 2.294 -23.129 155 H ALA 20 H ALA 20 -5.317 1.599 -25.107 156 HA ALA 20 HA ALA 20 -3.609 3.124 -26.926 157 HB1 ALA 20 1HB ALA 20 -6.519 2.700 -27.419 158 HB2 ALA 20 2HB ALA 20 -5.182 2.793 -28.566 159 HB3 ALA 20 3HB ALA 20 -5.409 1.341 -27.591 160 H VAL 21 H VAL 21 -4.520 5.182 -27.813 161 HA VAL 21 HA VAL 21 -5.574 6.797 -25.599 162 HB VAL 21 HB VAL 21 -4.701 8.738 -26.747 163 HG11 VAL 21 1HG1 VAL 21 -2.799 8.275 -25.699 164 HG12 VAL 21 2HG1 VAL 21 -3.095 6.542 -25.855 165 HG13 VAL 21 3HG1 VAL 21 -2.251 7.412 -27.136 166 HG21 VAL 21 1HG2 VAL 21 -3.315 8.366 -28.838 167 HG22 VAL 21 2HG2 VAL 21 -4.094 6.789 -28.957 168 HG23 VAL 21 3HG2 VAL 21 -5.066 8.259 -29.029 169 H GLY 22 H GLY 22 -6.276 5.708 -28.824 170 HA2 GLY 22 2HA GLY 22 -9.007 6.306 -28.664 171 HA3 GLY 22 3HA GLY 22 -8.224 7.615 -29.537 172 H VAL 23 H VAL 23 -9.986 6.493 -31.023 173 HA VAL 23 HA VAL 23 -8.513 4.604 -32.742 174 HB VAL 23 HB VAL 23 -11.509 4.656 -32.353 175 HG11 VAL 23 1HG1 VAL 23 -11.249 3.801 -34.466 176 HG12 VAL 23 2HG1 VAL 23 -9.659 3.121 -34.116 177 HG13 VAL 23 3HG1 VAL 23 -11.113 2.329 -33.506 178 HG21 VAL 23 1HG2 VAL 23 -10.573 3.808 -30.343 179 HG22 VAL 23 2HG2 VAL 23 -11.106 2.412 -31.279 180 HG23 VAL 23 3HG2 VAL 23 -9.395 2.833 -31.223 181 H GLY 24 H GLY 24 -10.827 7.258 -32.556 182 HA2 GLY 24 2HA GLY 24 -10.991 7.563 -35.419 183 HA3 GLY 24 3HA GLY 24 -11.681 8.638 -34.211 184 H GLY 25 H GLY 25 -8.660 7.739 -35.824 185 HA2 GLY 25 2HA GLY 25 -7.730 10.078 -36.664 186 HA3 GLY 25 3HA GLY 25 -7.403 10.220 -34.943 187 H LYS 26 H LYS 26 -5.760 9.023 -34.015 188 HA LYS 26 HA LYS 26 -4.095 7.469 -35.886 189 HB2 LYS 26 2HB LYS 26 -3.305 9.569 -33.889 190 HB3 LYS 26 3HB LYS 26 -2.167 8.311 -34.356 191 HG2 LYS 26 2HG LYS 26 -3.286 9.382 -36.726 192 HG3 LYS 26 3HG LYS 26 -2.795 10.729 -35.699 193 HD2 LYS 26 2HD LYS 26 -0.927 8.432 -36.044 194 HD3 LYS 26 3HD LYS 26 -1.097 9.594 -37.362 195 HE2 LYS 26 2HE LYS 26 -0.723 11.381 -35.546 196 HE3 LYS 26 3HE LYS 26 -0.125 10.047 -34.561 197 HZ1 LYS 26 1HZ LYS 26 0.951 10.938 -37.180 198 HZ2 LYS 26 2HZ LYS 26 1.469 9.554 -36.359 199 HZ3 LYS 26 3HZ LYS 26 1.705 11.082 -35.672 200 H SER 27 H SER 27 -3.290 5.558 -35.164 201 HA SER 27 HA SER 27 -4.347 4.579 -32.633 202 HB2 SER 27 2HB SER 27 -4.688 3.129 -34.527 203 HB3 SER 27 3HB SER 27 -2.974 3.181 -34.938 204 HG SER 27 HG SER 27 -2.850 1.469 -33.730 205 H LYS 28 H LYS 28 -3.107 5.285 -30.979 206 HA LYS 28 HA LYS 28 -0.340 4.332 -30.913 207 HB2 LYS 28 2HB LYS 28 -1.231 7.147 -30.794 208 HB3 LYS 28 3HB LYS 28 -0.051 6.675 -29.580 209 HG2 LYS 28 2HG LYS 28 1.593 6.765 -31.059 210 HG3 LYS 28 3HG LYS 28 0.733 5.684 -32.157 211 HD2 LYS 28 2HD LYS 28 0.899 7.571 -33.456 212 HD3 LYS 28 3HD LYS 28 -0.664 7.843 -32.683 213 HE2 LYS 28 2HE LYS 28 0.126 9.799 -31.977 214 HE3 LYS 28 3HE LYS 28 1.205 8.902 -30.911 215 HZ1 LYS 28 1HZ LYS 28 2.194 9.063 -33.590 216 HZ2 LYS 28 2HZ LYS 28 2.958 9.459 -32.135 217 HZ3 LYS 28 3HZ LYS 28 1.967 10.593 -32.904 218 H LYS 29 H LYS 29 0.518 4.082 -28.773 219 HA LYS 29 HA LYS 29 -1.591 3.815 -26.734 220 HB2 LYS 29 2HB LYS 29 -0.035 2.109 -25.709 221 HB3 LYS 29 3HB LYS 29 -0.742 1.655 -27.253 222 HG2 LYS 29 2HG LYS 29 1.298 2.131 -28.405 223 HG3 LYS 29 3HG LYS 29 2.013 2.826 -26.949 224 HD2 LYS 29 2HD LYS 29 2.270 0.756 -25.933 225 HD3 LYS 29 3HD LYS 29 1.035 -0.002 -26.941 226 HE2 LYS 29 2HE LYS 29 2.847 0.755 -28.813 227 HE3 LYS 29 3HE LYS 29 3.903 0.413 -27.443 228 HZ1 LYS 29 1HZ LYS 29 2.065 -1.417 -28.853 229 HZ2 LYS 29 2HZ LYS 29 2.591 -1.756 -27.281 230 HZ3 LYS 29 3HZ LYS 29 3.717 -1.610 -28.536 231 H PHE 30 H PHE 30 -0.820 4.024 -24.462 232 HA PHE 30 HA PHE 30 0.505 6.510 -24.112 233 HB2 PHE 30 2HB PHE 30 -0.544 4.403 -22.250 234 HB3 PHE 30 3HB PHE 30 0.434 5.726 -21.623 235 HD1 PHE 30 HD1 PHE 30 -2.353 5.409 -24.090 236 HD2 PHE 30 HD2 PHE 30 -0.806 7.381 -20.650 237 HE1 PHE 30 HE1 PHE 30 -4.351 6.845 -24.019 238 HE2 PHE 30 HE2 PHE 30 -2.801 8.819 -20.573 239 HZ PHE 30 HZ PHE 30 -4.577 8.551 -22.258 240 H GLY 31 H GLY 31 2.218 6.478 -22.134 241 HA2 GLY 31 2HA GLY 31 4.215 4.391 -22.521 242 HA3 GLY 31 3HA GLY 31 4.678 6.008 -23.030 243 H GLU 32 H GLU 32 6.385 5.513 -21.368 244 HA GLU 32 HA GLU 32 5.757 5.401 -18.621 245 HB2 GLU 32 2HB GLU 32 8.090 5.373 -20.202 246 HB3 GLU 32 3HB GLU 32 8.279 6.712 -19.078 247 HG2 GLU 32 2HG GLU 32 7.821 5.191 -17.209 248 HG3 GLU 32 3HG GLU 32 7.681 3.853 -18.349 249 H GLY 33 H GLY 33 6.513 8.112 -20.776 250 HA2 GLY 33 2HA GLY 33 6.411 10.083 -18.706 251 HA3 GLY 33 3HA GLY 33 6.411 10.390 -20.436 252 H ASN 34 H ASN 34 4.085 8.856 -21.062 253 HA ASN 34 HA ASN 34 2.095 10.787 -20.722 254 HB2 ASN 34 2HB ASN 34 2.381 8.421 -22.169 255 HB3 ASN 34 3HB ASN 34 1.000 8.123 -21.117 256 HD21 ASN 34 1HD2 ASN 34 -0.273 10.441 -20.954 257 HD22 ASN 34 2HD2 ASN 34 -0.790 10.989 -22.509 258 H PHE 35 H PHE 35 2.511 7.657 -19.078 259 HA PHE 35 HA PHE 35 0.284 7.944 -17.367 260 HB2 PHE 35 2HB PHE 35 2.765 6.239 -17.235 261 HB3 PHE 35 3HB PHE 35 1.529 6.181 -15.984 262 HD1 PHE 35 HD1 PHE 35 -0.947 6.348 -17.481 263 HD2 PHE 35 HD2 PHE 35 2.643 4.250 -18.392 264 HE1 PHE 35 HE1 PHE 35 -2.234 4.738 -18.825 265 HE2 PHE 35 HE2 PHE 35 1.362 2.637 -19.738 266 HZ PHE 35 HZ PHE 35 -1.079 2.880 -19.957 267 H ARG 36 H ARG 36 3.764 8.320 -16.681 268 HA ARG 36 HA ARG 36 3.545 9.227 -14.070 269 HB2 ARG 36 2HB ARG 36 5.592 9.800 -16.207 270 HB3 ARG 36 3HB ARG 36 5.758 10.401 -14.562 271 HG2 ARG 36 2HG ARG 36 5.991 8.247 -13.676 272 HG3 ARG 36 3HG ARG 36 5.368 7.487 -15.142 273 HD2 ARG 36 2HD ARG 36 7.561 7.131 -15.547 274 HD3 ARG 36 3HD ARG 36 7.484 8.780 -16.168 275 HE ARG 36 HE ARG 36 8.062 8.804 -13.402 276 HH11 ARG 36 1HH1 ARG 36 9.505 8.085 -16.487 277 HH12 ARG 36 2HH1 ARG 36 11.117 8.446 -15.964 278 HH21 ARG 36 1HH2 ARG 36 10.179 9.282 -12.701 279 HH22 ARG 36 2HH2 ARG 36 11.499 9.126 -13.809 280 H TRP 37 H TRP 37 2.934 10.886 -17.052 281 HA TRP 37 HA TRP 37 3.099 13.540 -16.040 282 HB2 TRP 37 2HB TRP 37 3.278 13.217 -18.408 283 HB3 TRP 37 3HB TRP 37 1.733 12.374 -18.469 284 HD1 TRP 37 HD1 TRP 37 3.201 15.902 -18.135 285 HE1 TRP 37 HE1 TRP 37 1.357 17.609 -18.693 286 HE3 TRP 37 HE3 TRP 37 -0.773 12.709 -18.517 287 HZ2 TRP 37 HZ2 TRP 37 -1.415 17.603 -19.225 288 HZ3 TRP 37 HZ3 TRP 37 -2.987 13.639 -19.054 289 HH2 TRP 37 HH2 TRP 37 -3.299 16.036 -19.399 290 H ALA 38 H ALA 38 0.262 11.559 -16.922 291 HA ALA 38 HA ALA 38 -1.624 13.310 -15.760 292 HB1 ALA 38 1HB ALA 38 -3.024 11.068 -15.799 293 HB2 ALA 38 2HB ALA 38 -2.628 11.938 -17.283 294 HB3 ALA 38 3HB ALA 38 -1.680 10.529 -16.808 295 H ILE 39 H ILE 39 -0.173 10.284 -14.583 296 HA ILE 39 HA ILE 39 -1.535 10.047 -12.183 297 HB ILE 39 HB ILE 39 1.327 9.313 -12.802 298 HG12 ILE 39 2HG1 ILE 39 -0.443 8.222 -14.179 299 HG13 ILE 39 3HG1 ILE 39 0.459 7.087 -13.181 300 HG21 ILE 39 1HG2 ILE 39 -0.240 9.117 -10.332 301 HG22 ILE 39 2HG2 ILE 39 0.546 7.618 -10.827 302 HG23 ILE 39 3HG2 ILE 39 1.506 9.076 -10.578 303 HD11 ILE 39 1HD1 ILE 39 -1.844 8.032 -11.762 304 HD12 ILE 39 2HD1 ILE 39 -2.307 7.395 -13.340 305 HD13 ILE 39 3HD1 ILE 39 -1.398 6.387 -12.214 306 H ARG 40 H ARG 40 1.469 11.820 -12.857 307 HA ARG 40 HA ARG 40 1.771 12.764 -10.182 308 HB2 ARG 40 2HB ARG 40 3.677 12.549 -11.722 309 HB3 ARG 40 3HB ARG 40 2.986 13.797 -12.751 310 HG2 ARG 40 2HG ARG 40 3.377 15.478 -11.158 311 HG3 ARG 40 3HG ARG 40 3.677 14.303 -9.875 312 HD2 ARG 40 2HD ARG 40 5.632 13.527 -11.393 313 HD3 ARG 40 3HD ARG 40 5.433 15.101 -12.164 314 HE ARG 40 HE ARG 40 6.541 14.570 -9.564 315 HH11 ARG 40 1HH1 ARG 40 4.992 16.937 -11.593 316 HH12 ARG 40 2HH1 ARG 40 5.622 18.292 -10.716 317 HH21 ARG 40 1HH2 ARG 40 7.375 16.346 -8.401 318 HH22 ARG 40 2HH2 ARG 40 6.977 17.955 -8.900 319 H MET 41 H MET 41 0.636 14.270 -13.198 320 HA MET 41 HA MET 41 0.123 16.819 -12.233 321 HB2 MET 41 2HB MET 41 0.025 16.198 -14.615 322 HB3 MET 41 3HB MET 41 -1.452 15.293 -14.315 323 HG2 MET 41 2HG MET 41 -2.443 17.478 -13.490 324 HG3 MET 41 3HG MET 41 -1.031 18.259 -14.199 325 HE1 MET 41 1HE MET 41 -3.677 19.459 -15.971 326 HE2 MET 41 2HE MET 41 -4.770 18.075 -16.013 327 HE3 MET 41 3HE MET 41 -4.035 18.573 -14.488 328 H ALA 42 H ALA 42 -1.738 13.874 -11.899 329 HA ALA 42 HA ALA 42 -4.114 15.135 -10.931 330 HB1 ALA 42 1HB ALA 42 -4.350 12.994 -11.927 331 HB2 ALA 42 2HB ALA 42 -3.149 12.286 -10.846 332 HB3 ALA 42 3HB ALA 42 -4.711 12.802 -10.211 333 H ASN 43 H ASN 43 -1.620 13.166 -9.301 334 HA ASN 43 HA ASN 43 -2.524 13.557 -6.696 335 HB2 ASN 43 2HB ASN 43 0.354 13.199 -7.559 336 HB3 ASN 43 3HB ASN 43 -0.323 12.830 -5.975 337 HD21 ASN 43 1HD2 ASN 43 1.064 10.944 -7.378 338 HD22 ASN 43 2HD2 ASN 43 -0.013 9.700 -7.907 339 H VAL 44 H VAL 44 -0.089 15.384 -8.531 340 HA VAL 44 HA VAL 44 0.565 17.214 -6.505 341 HB VAL 44 HB VAL 44 0.651 17.636 -9.495 342 HG11 VAL 44 1HG1 VAL 44 2.686 19.100 -8.375 343 HG12 VAL 44 2HG1 VAL 44 1.139 19.743 -8.929 344 HG13 VAL 44 3HG1 VAL 44 1.364 19.327 -7.229 345 HG21 VAL 44 1HG2 VAL 44 2.425 16.298 -9.565 346 HG22 VAL 44 2HG2 VAL 44 3.192 17.166 -8.236 347 HG23 VAL 44 3HG2 VAL 44 2.085 15.836 -7.897 348 H SER 45 H SER 45 -1.907 17.299 -9.030 349 HA SER 45 HA SER 45 -2.772 19.930 -8.693 350 HB2 SER 45 2HB SER 45 -4.014 17.432 -9.756 351 HB3 SER 45 3HB SER 45 -5.061 18.816 -9.451 352 HG SER 45 HG SER 45 -3.431 18.400 -11.512 353 H THR 46 H THR 46 -3.235 17.141 -6.716 354 HA THR 46 HA THR 46 -5.319 18.491 -5.150 355 HB THR 46 HB THR 46 -5.258 16.169 -3.922 356 HG1 THR 46 HG1 THR 46 -4.450 14.523 -5.127 357 HG21 THR 46 1HG2 THR 46 -7.274 16.220 -4.878 358 HG22 THR 46 2HG2 THR 46 -6.556 15.425 -6.280 359 HG23 THR 46 3HG2 THR 46 -6.672 17.184 -6.227 360 H GLY 47 H GLY 47 -2.113 18.556 -5.230 361 HA2 GLY 47 2HA GLY 47 -0.436 18.935 -3.706 362 HA3 GLY 47 3HA GLY 47 -1.712 19.639 -2.722 363 H ARG 48 H ARG 48 -1.478 16.261 -3.702 364 HA ARG 48 HA ARG 48 -1.591 15.476 -0.905 365 HB2 ARG 48 2HB ARG 48 -1.990 14.073 -3.519 366 HB3 ARG 48 3HB ARG 48 -1.646 13.126 -2.078 367 HG2 ARG 48 2HG ARG 48 -3.607 14.656 -1.112 368 HG3 ARG 48 3HG ARG 48 -4.064 14.651 -2.817 369 HD2 ARG 48 2HD ARG 48 -5.181 12.793 -2.041 370 HD3 ARG 48 3HD ARG 48 -3.675 12.080 -2.622 371 HE ARG 48 HE ARG 48 -3.145 12.593 -0.022 372 HH11 ARG 48 1HH1 ARG 48 -5.740 10.933 -1.646 373 HH12 ARG 48 2HH1 ARG 48 -6.035 9.840 -0.335 374 HH21 ARG 48 1HH2 ARG 48 -3.524 11.158 1.710 375 HH22 ARG 48 2HH2 ARG 48 -4.775 9.969 1.573 376 H GLU 49 H GLU 49 0.251 15.291 0.182 377 HA GLU 49 HA GLU 49 2.810 15.227 -0.845 378 HB2 GLU 49 2HB GLU 49 1.572 14.824 1.741 379 HB3 GLU 49 3HB GLU 49 2.958 13.763 1.535 380 HG2 GLU 49 2HG GLU 49 3.673 16.350 0.610 381 HG3 GLU 49 3HG GLU 49 2.922 16.509 2.197 382 HA PRO 50 HA PRO 50 2.901 10.419 -0.438 383 HB2 PRO 50 2HB PRO 50 0.560 9.161 0.111 384 HB3 PRO 50 3HB PRO 50 1.661 9.734 1.370 385 HG2 PRO 50 2HG PRO 50 -0.831 11.009 0.308 386 HG3 PRO 50 3HG PRO 50 -0.280 10.856 1.987 387 HD2 PRO 50 2HD PRO 50 0.005 13.141 0.562 388 HD3 PRO 50 3HD PRO 50 1.168 12.640 1.806 389 H GLY 51 H GLY 51 0.560 12.257 -2.071 390 HA2 GLY 51 2HA GLY 51 -0.514 10.344 -3.847 391 HA3 GLY 51 3HA GLY 51 -0.432 12.076 -4.133 392 H ASP 52 H ASP 52 1.125 9.003 -4.628 393 HA ASP 52 HA ASP 52 2.762 10.238 -6.730 394 HB2 ASP 52 2HB ASP 52 3.683 8.523 -4.463 395 HB3 ASP 52 3HB ASP 52 4.484 8.363 -6.023 396 H ILE 53 H ILE 53 2.490 6.922 -5.486 397 HA ILE 53 HA ILE 53 1.199 6.121 -7.995 398 HB ILE 53 HB ILE 53 3.538 4.637 -6.795 399 HG12 ILE 53 2HG1 ILE 53 4.226 6.772 -7.829 400 HG13 ILE 53 3HG1 ILE 53 4.815 5.383 -8.736 401 HG21 ILE 53 1HG2 ILE 53 1.831 3.259 -7.953 402 HG22 ILE 53 2HG2 ILE 53 2.112 4.206 -9.413 403 HG23 ILE 53 3HG2 ILE 53 3.410 3.224 -8.735 404 HD11 ILE 53 1HD1 ILE 53 3.333 7.573 -9.678 405 HD12 ILE 53 2HD1 ILE 53 3.843 6.138 -10.568 406 HD13 ILE 53 3HD1 ILE 53 2.274 6.166 -9.766 407 HA PRO 54 HA PRO 54 -0.882 4.307 -4.269 408 HB2 PRO 54 2HB PRO 54 -3.398 4.868 -5.119 409 HB3 PRO 54 3HB PRO 54 -2.412 6.020 -4.211 410 HG2 PRO 54 2HG PRO 54 -2.901 5.857 -7.160 411 HG3 PRO 54 3HG PRO 54 -2.868 7.285 -6.108 412 HD2 PRO 54 2HD PRO 54 -0.776 6.582 -7.676 413 HD3 PRO 54 3HD PRO 54 -0.566 7.388 -6.108 414 H GLU 55 H GLU 55 -1.236 2.182 -4.263 415 HA GLU 55 HA GLU 55 -2.015 0.878 -6.777 416 HB2 GLU 55 2HB GLU 55 -0.741 -0.298 -4.300 417 HB3 GLU 55 3HB GLU 55 -1.128 -1.187 -5.765 418 HG2 GLU 55 2HG GLU 55 0.972 -0.762 -6.360 419 HG3 GLU 55 3HG GLU 55 0.388 0.859 -6.737 420 H THR 56 H THR 56 -3.984 2.189 -5.220 421 HA THR 56 HA THR 56 -5.678 -0.110 -4.562 422 HB THR 56 HB THR 56 -6.492 0.821 -2.535 423 HG1 THR 56 HG1 THR 56 -6.316 2.895 -2.053 424 HG21 THR 56 1HG2 THR 56 -4.532 0.886 -1.128 425 HG22 THR 56 2HG2 THR 56 -3.507 1.271 -2.510 426 HG23 THR 56 3HG2 THR 56 -4.281 -0.309 -2.399 427 H LEU 57 H LEU 57 -7.607 0.015 -5.510 428 HA LEU 57 HA LEU 57 -8.324 1.992 -7.307 429 HB2 LEU 57 2HB LEU 57 -9.692 -0.254 -5.983 430 HB3 LEU 57 3HB LEU 57 -10.745 1.005 -6.623 431 HG LEU 57 HG LEU 57 -8.653 -0.099 -8.422 432 HD11 LEU 57 1HD1 LEU 57 -9.347 -2.185 -7.778 433 HD12 LEU 57 2HD1 LEU 57 -10.528 -1.826 -9.038 434 HD13 LEU 57 3HD1 LEU 57 -10.965 -1.634 -7.340 435 HD21 LEU 57 1HD2 LEU 57 -10.254 1.757 -9.004 436 HD22 LEU 57 2HD2 LEU 57 -11.546 0.560 -8.926 437 HD23 LEU 57 3HD2 LEU 57 -10.249 0.381 -10.109 438 H ASP 58 H ASP 58 -8.787 1.855 -3.868 439 HA ASP 58 HA ASP 58 -10.809 3.851 -3.695 440 HB2 ASP 58 2HB ASP 58 -10.037 2.085 -1.931 441 HB3 ASP 58 3HB ASP 58 -8.857 3.312 -1.481 442 H GLN 59 H GLN 59 -7.294 3.900 -3.673 443 HA GLN 59 HA GLN 59 -7.063 6.646 -2.929 444 HB2 GLN 59 2HB GLN 59 -5.190 4.569 -3.992 445 HB3 GLN 59 3HB GLN 59 -4.694 6.256 -3.993 446 HG2 GLN 59 2HG GLN 59 -5.024 6.377 -1.592 447 HG3 GLN 59 3HG GLN 59 -5.586 4.707 -1.572 448 HE21 GLN 59 1HE2 GLN 59 -3.851 3.380 -3.086 449 HE22 GLN 59 2HE2 GLN 59 -2.248 3.490 -2.451 450 H LEU 60 H LEU 60 -6.887 4.903 -6.016 451 HA LEU 60 HA LEU 60 -6.401 7.212 -7.592 452 HB2 LEU 60 2HB LEU 60 -7.299 4.418 -8.175 453 HB3 LEU 60 3HB LEU 60 -7.311 5.639 -9.445 454 HG LEU 60 HG LEU 60 -4.779 5.323 -7.948 455 HD11 LEU 60 1HD1 LEU 60 -4.612 3.429 -9.987 456 HD12 LEU 60 2HD1 LEU 60 -6.115 3.067 -9.140 457 HD13 LEU 60 3HD1 LEU 60 -4.595 3.132 -8.249 458 HD21 LEU 60 1HD2 LEU 60 -5.492 6.758 -10.085 459 HD22 LEU 60 2HD2 LEU 60 -4.982 5.281 -10.901 460 HD23 LEU 60 3HD2 LEU 60 -3.857 6.142 -9.850 461 H ARG 61 H ARG 61 -9.282 5.671 -6.382 462 HA ARG 61 HA ARG 61 -11.079 7.086 -8.124 463 HB2 ARG 61 2HB ARG 61 -11.807 4.958 -7.320 464 HB3 ARG 61 3HB ARG 61 -11.502 5.414 -5.650 465 HG2 ARG 61 2HG ARG 61 -13.447 7.053 -7.164 466 HG3 ARG 61 3HG ARG 61 -13.933 5.416 -6.716 467 HD2 ARG 61 2HD ARG 61 -13.079 6.060 -4.363 468 HD3 ARG 61 3HD ARG 61 -13.192 7.720 -4.950 469 HE ARG 61 HE ARG 61 -15.470 7.583 -4.789 470 HH11 ARG 61 1HH1 ARG 61 -14.126 4.374 -4.677 471 HH12 ARG 61 2HH1 ARG 61 -15.633 3.614 -4.287 472 HH21 ARG 61 1HH2 ARG 61 -17.461 6.594 -4.277 473 HH22 ARG 61 2HH2 ARG 61 -17.530 4.879 -4.061 474 H LEU 62 H LEU 62 -9.856 7.475 -4.848 475 HA LEU 62 HA LEU 62 -11.612 9.589 -4.118 476 HB2 LEU 62 2HB LEU 62 -10.565 8.321 -2.395 477 HB3 LEU 62 3HB LEU 62 -8.960 8.672 -3.032 478 HG LEU 62 HG LEU 62 -9.164 10.991 -2.340 479 HD11 LEU 62 1HD1 LEU 62 -11.066 11.804 -1.104 480 HD12 LEU 62 2HD1 LEU 62 -11.849 10.227 -1.202 481 HD13 LEU 62 3HD1 LEU 62 -11.605 11.183 -2.664 482 HD21 LEU 62 1HD2 LEU 62 -8.489 9.058 -0.754 483 HD22 LEU 62 2HD2 LEU 62 -10.031 9.389 0.035 484 HD23 LEU 62 3HD2 LEU 62 -8.806 10.655 -0.076 485 H VAL 63 H VAL 63 -8.313 9.481 -5.404 486 HA VAL 63 HA VAL 63 -7.883 12.284 -5.330 487 HB VAL 63 HB VAL 63 -6.558 10.192 -7.062 488 HG11 VAL 63 1HG1 VAL 63 -6.256 13.089 -6.882 489 HG12 VAL 63 2HG1 VAL 63 -4.743 12.207 -6.666 490 HG13 VAL 63 3HG1 VAL 63 -5.705 11.966 -8.124 491 HG21 VAL 63 1HG2 VAL 63 -5.410 11.428 -4.584 492 HG22 VAL 63 2HG2 VAL 63 -6.452 10.009 -4.494 493 HG23 VAL 63 3HG2 VAL 63 -4.941 9.938 -5.401 494 H ILE 64 H ILE 64 -8.854 10.072 -7.940 495 HA ILE 64 HA ILE 64 -9.059 12.038 -9.949 496 HB ILE 64 HB ILE 64 -8.980 9.536 -10.300 497 HG12 ILE 64 2HG1 ILE 64 -11.196 11.050 -11.699 498 HG13 ILE 64 3HG1 ILE 64 -9.486 11.142 -12.106 499 HG21 ILE 64 1HG2 ILE 64 -11.932 9.729 -9.720 500 HG22 ILE 64 2HG2 ILE 64 -11.056 8.297 -10.259 501 HG23 ILE 64 3HG2 ILE 64 -10.737 8.978 -8.663 502 HD11 ILE 64 1HD1 ILE 64 -11.433 8.947 -12.579 503 HD12 ILE 64 2HD1 ILE 64 -10.236 9.652 -13.666 504 HD13 ILE 64 3HD1 ILE 64 -9.725 8.555 -12.383 505 H CYS 65 H CYS 65 -11.223 11.020 -7.420 506 HA CYS 65 HA CYS 65 -13.607 12.113 -8.500 507 HB2 CYS 65 2HB CYS 65 -12.728 11.007 -5.909 508 HB3 CYS 65 3HB CYS 65 -14.039 12.176 -5.815 509 HG CYS 65 HG CYS 65 -15.100 10.396 -8.156 510 H ASP 66 H ASP 66 -11.399 13.323 -5.976 511 HA ASP 66 HA ASP 66 -12.677 15.858 -5.791 512 HB2 ASP 66 2HB ASP 66 -9.852 15.192 -4.953 513 HB3 ASP 66 3HB ASP 66 -10.880 16.477 -4.326 514 H LEU 67 H LEU 67 -9.844 14.656 -7.522 515 HA LEU 67 HA LEU 67 -8.887 17.124 -8.456 516 HB2 LEU 67 2HB LEU 67 -7.466 15.246 -8.610 517 HB3 LEU 67 3HB LEU 67 -8.664 14.322 -9.515 518 HG LEU 67 HG LEU 67 -8.331 15.942 -11.410 519 HD11 LEU 67 1HD1 LEU 67 -7.394 17.820 -10.296 520 HD12 LEU 67 2HD1 LEU 67 -6.146 17.170 -11.360 521 HD13 LEU 67 3HD1 LEU 67 -6.083 16.849 -9.627 522 HD21 LEU 67 1HD2 LEU 67 -6.271 14.044 -10.401 523 HD22 LEU 67 2HD2 LEU 67 -5.912 15.010 -11.833 524 HD23 LEU 67 3HD2 LEU 67 -7.310 13.933 -11.822 525 H GLN 68 H GLN 68 -10.954 14.726 -10.096 526 HA GLN 68 HA GLN 68 -11.414 16.237 -12.410 527 HB2 GLN 68 2HB GLN 68 -11.906 13.882 -12.386 528 HB3 GLN 68 3HB GLN 68 -13.077 14.090 -11.090 529 HG2 GLN 68 2HG GLN 68 -14.517 15.367 -12.581 530 HG3 GLN 68 3HG GLN 68 -13.339 15.189 -13.880 531 HE21 GLN 68 1HE2 GLN 68 -15.739 14.376 -14.506 532 HE22 GLN 68 2HE2 GLN 68 -15.878 12.654 -14.489 533 H GLU 69 H GLU 69 -13.485 15.829 -9.535 534 HA GLU 69 HA GLU 69 -15.500 17.598 -10.305 535 HB2 GLU 69 2HB GLU 69 -15.508 15.953 -8.363 536 HB3 GLU 69 3HB GLU 69 -14.615 17.167 -7.456 537 HG2 GLU 69 2HG GLU 69 -16.915 17.351 -6.881 538 HG3 GLU 69 3HG GLU 69 -16.480 18.755 -7.854 539 H ARG 70 H ARG 70 -12.325 18.193 -9.065 540 HA ARG 70 HA ARG 70 -12.792 20.860 -8.163 541 HB2 ARG 70 2HB ARG 70 -10.447 19.096 -8.549 542 HB3 ARG 70 3HB ARG 70 -10.132 20.824 -8.633 543 HG2 ARG 70 2HG ARG 70 -11.063 21.140 -6.425 544 HG3 ARG 70 3HG ARG 70 -11.499 19.431 -6.342 545 HD2 ARG 70 2HD ARG 70 -9.005 18.977 -6.718 546 HD3 ARG 70 3HD ARG 70 -8.768 20.677 -6.320 547 HE ARG 70 HE ARG 70 -10.315 19.209 -4.382 548 HH11 ARG 70 1HH1 ARG 70 -7.128 20.178 -5.393 549 HH12 ARG 70 2HH1 ARG 70 -6.430 19.991 -3.818 550 HH21 ARG 70 1HH2 ARG 70 -9.408 18.959 -2.305 551 HH22 ARG 70 2HH2 ARG 70 -7.727 19.297 -2.063 552 H ARG 71 H ARG 71 -10.857 19.694 -10.927 553 HA ARG 71 HA ARG 71 -10.681 22.187 -12.197 554 HB2 ARG 71 2HB ARG 71 -9.596 19.701 -12.611 555 HB3 ARG 71 3HB ARG 71 -10.670 19.866 -13.994 556 HG2 ARG 71 2HG ARG 71 -9.027 20.978 -14.985 557 HG3 ARG 71 3HG ARG 71 -9.374 22.304 -13.872 558 HD2 ARG 71 2HD ARG 71 -7.801 20.547 -12.401 559 HD3 ARG 71 3HD ARG 71 -7.075 20.549 -14.007 560 HE ARG 71 HE ARG 71 -7.072 22.696 -12.106 561 HH11 ARG 71 1HH1 ARG 71 -6.899 21.885 -15.487 562 HH12 ARG 71 2HH1 ARG 71 -6.053 23.332 -15.926 563 HH21 ARG 71 1HH2 ARG 71 -5.959 24.606 -12.670 564 HH22 ARG 71 2HH2 ARG 71 -5.518 24.879 -14.321 565 H GLU 72 H GLU 72 -12.965 19.514 -12.626 566 HA GLU 72 HA GLU 72 -14.357 20.510 -14.829 567 HB2 GLU 72 2HB GLU 72 -14.620 18.222 -13.943 568 HB3 GLU 72 3HB GLU 72 -15.450 18.872 -12.536 569 HG2 GLU 72 2HG GLU 72 -16.733 19.855 -14.873 570 HG3 GLU 72 3HG GLU 72 -16.539 18.110 -15.026 571 H LYS 73 H LYS 73 -15.065 20.905 -11.363 572 HA LYS 73 HA LYS 73 -17.334 22.511 -11.639 573 HB2 LYS 73 2HB LYS 73 -16.724 21.480 -9.518 574 HB3 LYS 73 3HB LYS 73 -15.270 22.466 -9.428 575 HG2 LYS 73 2HG LYS 73 -16.373 24.151 -8.500 576 HG3 LYS 73 3HG LYS 73 -17.629 24.103 -9.740 577 HD2 LYS 73 2HD LYS 73 -18.905 23.548 -7.940 578 HD3 LYS 73 3HD LYS 73 -18.336 21.932 -8.364 579 HE2 LYS 73 2HE LYS 73 -17.560 21.774 -6.283 580 HE3 LYS 73 3HE LYS 73 -16.339 22.963 -6.735 581 HZ1 LYS 73 1HZ LYS 73 -18.890 24.101 -6.018 582 HZ2 LYS 73 2HZ LYS 73 -17.332 24.546 -5.534 583 HZ3 LYS 73 3HZ LYS 73 -18.129 23.277 -4.751 584 H PHE 74 H PHE 74 -13.921 23.313 -11.711 585 HA PHE 74 HA PHE 74 -14.369 26.156 -11.643 586 HB2 PHE 74 2HB PHE 74 -12.067 24.352 -11.641 587 HB3 PHE 74 3HB PHE 74 -11.810 25.796 -12.616 588 HD1 PHE 74 HD1 PHE 74 -13.652 25.260 -9.422 589 HD2 PHE 74 HD2 PHE 74 -10.455 27.226 -11.429 590 HE1 PHE 74 HE1 PHE 74 -13.167 26.545 -7.381 591 HE2 PHE 74 HE2 PHE 74 -9.963 28.513 -9.390 592 HZ PHE 74 HZ PHE 74 -11.319 28.173 -7.363 593 H GLY 75 H GLY 75 -14.242 23.694 -14.053 594 HA2 GLY 75 2HA GLY 75 -15.392 24.950 -16.116 595 HA3 GLY 75 3HA GLY 75 -13.746 25.555 -16.229 596 H SER 76 H SER 76 -13.942 24.487 -18.380 597 HA SER 76 HA SER 76 -13.375 21.602 -18.181 598 HB2 SER 76 2HB SER 76 -14.850 23.223 -20.209 599 HB3 SER 76 3HB SER 76 -13.960 21.807 -20.764 600 HG SER 76 HG SER 76 -16.228 21.975 -19.172 601 H SER 77 H SER 77 -11.452 20.876 -18.850 602 HA SER 77 HA SER 77 -9.833 22.466 -20.677 603 HB2 SER 77 2HB SER 77 -8.163 23.009 -19.238 604 HB3 SER 77 3HB SER 77 -9.421 22.834 -18.014 605 HG SER 77 HG SER 77 -7.263 21.596 -17.897 606 H LYS 78 H LYS 78 -8.475 21.263 -21.925 607 HA LYS 78 HA LYS 78 -8.951 18.482 -22.124 608 HB2 LYS 78 2HB LYS 78 -7.095 20.417 -23.443 609 HB3 LYS 78 3HB LYS 78 -6.806 18.694 -23.650 610 HG2 LYS 78 2HG LYS 78 -9.570 19.613 -24.114 611 HG3 LYS 78 3HG LYS 78 -8.357 20.147 -25.281 612 HD2 LYS 78 2HD LYS 78 -8.167 17.312 -24.568 613 HD3 LYS 78 3HD LYS 78 -9.680 17.755 -25.361 614 HE2 LYS 78 2HE LYS 78 -6.939 18.436 -26.413 615 HE3 LYS 78 3HE LYS 78 -7.881 17.039 -26.928 616 HZ1 LYS 78 1HZ LYS 78 -7.974 19.528 -28.030 617 HZ2 LYS 78 2HZ LYS 78 -9.367 19.481 -27.073 618 HZ3 LYS 78 3HZ LYS 78 -9.117 18.300 -28.259 619 H GLU 79 H GLU 79 -6.687 20.349 -20.318 620 HA GLU 79 HA GLU 79 -4.647 18.423 -19.998 621 HB2 GLU 79 2HB GLU 79 -5.050 21.042 -19.198 622 HB3 GLU 79 3HB GLU 79 -5.055 20.153 -17.682 623 HG2 GLU 79 2HG GLU 79 -2.838 20.608 -17.866 624 HG3 GLU 79 3HG GLU 79 -2.897 19.053 -18.694 625 H ILE 80 H ILE 80 -7.209 19.384 -17.706 626 HA ILE 80 HA ILE 80 -6.757 17.245 -15.924 627 HB ILE 80 HB ILE 80 -7.960 19.331 -15.317 628 HG12 ILE 80 2HG1 ILE 80 -9.958 17.993 -14.189 629 HG13 ILE 80 3HG1 ILE 80 -9.057 16.604 -14.790 630 HG21 ILE 80 1HG2 ILE 80 -10.239 19.686 -15.938 631 HG22 ILE 80 2HG2 ILE 80 -9.313 19.422 -17.415 632 HG23 ILE 80 3HG2 ILE 80 -10.315 18.128 -16.759 633 HD11 ILE 80 1HD1 ILE 80 -7.556 16.773 -13.167 634 HD12 ILE 80 2HD1 ILE 80 -7.346 18.504 -13.435 635 HD13 ILE 80 3HD1 ILE 80 -8.653 17.923 -12.404 636 H ASP 81 H ASP 81 -8.787 17.590 -18.759 637 HA ASP 81 HA ASP 81 -10.483 15.405 -18.418 638 HB2 ASP 81 2HB ASP 81 -9.360 16.694 -20.904 639 HB3 ASP 81 3HB ASP 81 -10.536 15.384 -20.968 640 H MET 82 H MET 82 -7.311 15.554 -20.024 641 HA MET 82 HA MET 82 -7.206 12.809 -20.685 642 HB2 MET 82 2HB MET 82 -5.564 15.098 -21.031 643 HB3 MET 82 3HB MET 82 -4.571 13.851 -20.289 644 HG2 MET 82 2HG MET 82 -5.842 12.433 -22.220 645 HG3 MET 82 3HG MET 82 -5.697 14.013 -22.986 646 HE1 MET 82 1HE MET 82 -2.972 11.407 -24.269 647 HE2 MET 82 2HE MET 82 -3.607 10.642 -22.812 648 HE3 MET 82 3HE MET 82 -4.709 11.410 -23.956 649 H ALA 83 H ALA 83 -5.926 14.655 -17.941 650 HA ALA 83 HA ALA 83 -4.511 12.623 -16.674 651 HB1 ALA 83 1HB ALA 83 -6.013 14.923 -15.427 652 HB2 ALA 83 2HB ALA 83 -4.798 13.934 -14.614 653 HB3 ALA 83 3HB ALA 83 -4.341 14.942 -15.987 654 H ILE 84 H ILE 84 -7.939 13.476 -16.446 655 HA ILE 84 HA ILE 84 -8.619 11.669 -14.399 656 HB ILE 84 HB ILE 84 -10.344 12.757 -16.626 657 HG12 ILE 84 2HG1 ILE 84 -10.511 13.702 -13.807 658 HG13 ILE 84 3HG1 ILE 84 -9.131 14.234 -14.761 659 HG21 ILE 84 1HG2 ILE 84 -12.239 12.185 -15.168 660 HG22 ILE 84 2HG2 ILE 84 -11.336 10.759 -15.676 661 HG23 ILE 84 3HG2 ILE 84 -11.124 11.401 -14.048 662 HD11 ILE 84 1HD1 ILE 84 -12.032 14.635 -15.451 663 HD12 ILE 84 2HD1 ILE 84 -10.912 15.861 -14.855 664 HD13 ILE 84 3HD1 ILE 84 -10.663 15.137 -16.444 665 H VAL 85 H VAL 85 -9.050 11.370 -17.928 666 HA VAL 85 HA VAL 85 -10.019 8.764 -17.966 667 HB VAL 85 HB VAL 85 -8.304 10.123 -20.050 668 HG11 VAL 85 1HG1 VAL 85 -9.319 8.531 -21.620 669 HG12 VAL 85 2HG1 VAL 85 -8.363 7.715 -20.381 670 HG13 VAL 85 3HG1 VAL 85 -10.123 7.726 -20.273 671 HG21 VAL 85 1HG2 VAL 85 -10.064 11.410 -20.465 672 HG22 VAL 85 2HG2 VAL 85 -11.035 9.974 -20.787 673 HG23 VAL 85 3HG2 VAL 85 -10.958 10.637 -19.156 674 H THR 86 H THR 86 -6.810 9.938 -17.446 675 HA THR 86 HA THR 86 -5.434 7.524 -18.104 676 HB THR 86 HB THR 86 -4.572 9.888 -16.429 677 HG1 THR 86 HG1 THR 86 -4.367 9.186 -19.151 678 HG21 THR 86 1HG2 THR 86 -2.312 8.607 -17.413 679 HG22 THR 86 2HG2 THR 86 -3.339 7.294 -16.838 680 HG23 THR 86 3HG2 THR 86 -2.880 8.599 -15.744 681 H LEU 87 H LEU 87 -6.021 9.098 -14.952 682 HA LEU 87 HA LEU 87 -5.187 6.968 -13.363 683 HB2 LEU 87 2HB LEU 87 -7.368 8.920 -12.660 684 HB3 LEU 87 3HB LEU 87 -6.320 8.040 -11.549 685 HG LEU 87 HG LEU 87 -5.014 9.881 -13.473 686 HD11 LEU 87 1HD1 LEU 87 -5.926 11.186 -11.011 687 HD12 LEU 87 2HD1 LEU 87 -7.196 10.855 -12.189 688 HD13 LEU 87 3HD1 LEU 87 -5.792 11.816 -12.654 689 HD21 LEU 87 1HD2 LEU 87 -4.583 9.438 -10.525 690 HD22 LEU 87 2HD2 LEU 87 -3.482 10.195 -11.676 691 HD23 LEU 87 3HD2 LEU 87 -3.819 8.466 -11.783 692 H LYS 88 H LYS 88 -8.087 7.396 -15.168 693 HA LYS 88 HA LYS 88 -9.695 5.544 -13.693 694 HB2 LYS 88 2HB LYS 88 -9.947 7.088 -16.210 695 HB3 LYS 88 3HB LYS 88 -10.900 5.613 -16.104 696 HG2 LYS 88 2HG LYS 88 -11.351 6.834 -13.676 697 HG3 LYS 88 3HG LYS 88 -11.291 8.183 -14.814 698 HD2 LYS 88 2HD LYS 88 -12.959 7.064 -16.218 699 HD3 LYS 88 3HD LYS 88 -13.020 5.721 -15.074 700 HE2 LYS 88 2HE LYS 88 -14.759 6.881 -14.224 701 HE3 LYS 88 3HE LYS 88 -13.484 7.784 -13.407 702 HZ1 LYS 88 1HZ LYS 88 -13.990 8.801 -16.021 703 HZ2 LYS 88 2HZ LYS 88 -14.000 9.608 -14.534 704 HZ3 LYS 88 3HZ LYS 88 -15.393 8.814 -15.075 705 H VAL 89 H VAL 89 -8.462 5.328 -17.034 706 HA VAL 89 HA VAL 89 -8.851 2.563 -17.284 707 HB VAL 89 HB VAL 89 -8.541 4.005 -19.229 708 HG11 VAL 89 1HG1 VAL 89 -5.598 4.125 -18.751 709 HG12 VAL 89 2HG1 VAL 89 -6.625 5.177 -19.728 710 HG13 VAL 89 3HG1 VAL 89 -6.651 5.304 -17.969 711 HG21 VAL 89 1HG2 VAL 89 -7.823 1.485 -19.085 712 HG22 VAL 89 2HG2 VAL 89 -7.493 2.432 -20.535 713 HG23 VAL 89 3HG2 VAL 89 -6.212 2.148 -19.357 714 H PHE 90 H PHE 90 -6.120 4.434 -16.103 715 HA PHE 90 HA PHE 90 -4.244 2.320 -16.033 716 HB2 PHE 90 2HB PHE 90 -3.684 4.759 -15.895 717 HB3 PHE 90 3HB PHE 90 -4.313 4.761 -14.251 718 HD1 PHE 90 HD1 PHE 90 -3.057 3.861 -12.442 719 HD2 PHE 90 HD2 PHE 90 -1.641 3.506 -16.440 720 HE1 PHE 90 HE1 PHE 90 -0.855 3.160 -11.596 721 HE2 PHE 90 HE2 PHE 90 0.562 2.805 -15.601 722 HZ PHE 90 HZ PHE 90 0.958 2.631 -13.177 723 H ALA 91 H ALA 91 -6.411 3.664 -13.563 724 HA ALA 91 HA ALA 91 -5.623 2.089 -11.410 725 HB1 ALA 91 1HB ALA 91 -7.070 3.967 -11.071 726 HB2 ALA 91 2HB ALA 91 -8.331 3.237 -12.067 727 HB3 ALA 91 3HB ALA 91 -7.906 2.517 -10.513 728 H VAL 92 H VAL 92 -8.160 1.467 -13.825 729 HA VAL 92 HA VAL 92 -8.864 -1.079 -12.757 730 HB VAL 92 HB VAL 92 -10.457 0.184 -14.097 731 HG11 VAL 92 1HG1 VAL 92 -8.774 1.200 -15.619 732 HG12 VAL 92 2HG1 VAL 92 -8.664 -0.347 -16.461 733 HG13 VAL 92 3HG1 VAL 92 -10.184 0.547 -16.453 734 HG21 VAL 92 1HG2 VAL 92 -10.141 -2.033 -15.952 735 HG22 VAL 92 2HG2 VAL 92 -9.963 -2.525 -14.269 736 HG23 VAL 92 3HG2 VAL 92 -11.430 -1.702 -14.796 737 H ALA 93 H ALA 93 -6.740 0.003 -15.363 738 HA ALA 93 HA ALA 93 -6.144 -2.554 -16.403 739 HB1 ALA 93 1HB ALA 93 -5.690 -0.667 -17.763 740 HB2 ALA 93 2HB ALA 93 -4.663 0.061 -16.527 741 HB3 ALA 93 3HB ALA 93 -4.131 -1.392 -17.370 742 H GLY 94 H GLY 94 -5.186 -0.986 -13.526 743 HA2 GLY 94 2HA GLY 94 -2.870 -2.783 -13.223 744 HA3 GLY 94 3HA GLY 94 -3.126 -1.303 -12.310 745 H LEU 95 H LEU 95 -5.244 -1.339 -10.991 746 HA LEU 95 HA LEU 95 -5.036 -3.318 -9.041 747 HB2 LEU 95 2HB LEU 95 -7.185 -1.351 -9.737 748 HB3 LEU 95 3HB LEU 95 -7.405 -2.507 -8.425 749 HG LEU 95 HG LEU 95 -6.707 -0.391 -7.520 750 HD11 LEU 95 1HD1 LEU 95 -5.518 -1.481 -6.003 751 HD12 LEU 95 2HD1 LEU 95 -4.132 -1.547 -7.091 752 HD13 LEU 95 3HD1 LEU 95 -5.346 -2.825 -7.131 753 HD21 LEU 95 1HD2 LEU 95 -4.243 -0.615 -9.243 754 HD22 LEU 95 2HD2 LEU 95 -4.643 0.689 -8.123 755 HD23 LEU 95 3HD2 LEU 95 -5.612 0.448 -9.579 756 H LEU 96 H LEU 96 -7.094 -3.121 -11.887 757 HA LEU 96 HA LEU 96 -8.320 -5.695 -11.202 758 HB2 LEU 96 2HB LEU 96 -9.251 -3.338 -12.482 759 HB3 LEU 96 3HB LEU 96 -9.308 -4.652 -13.655 760 HG LEU 96 HG LEU 96 -10.570 -4.833 -10.926 761 HD11 LEU 96 1HD1 LEU 96 -11.511 -2.951 -12.258 762 HD12 LEU 96 2HD1 LEU 96 -12.666 -4.237 -11.910 763 HD13 LEU 96 3HD1 LEU 96 -11.939 -4.115 -13.512 764 HD21 LEU 96 1HD2 LEU 96 -11.810 -6.374 -12.983 765 HD22 LEU 96 2HD2 LEU 96 -11.023 -6.926 -11.504 766 HD23 LEU 96 3HD2 LEU 96 -10.078 -6.706 -12.978 767 H ASN 97 H ASN 97 -5.722 -4.519 -12.888 768 HA ASN 97 HA ASN 97 -4.366 -5.318 -14.537 769 HB2 ASN 97 2HB ASN 97 -5.543 -7.914 -13.526 770 HB3 ASN 97 3HB ASN 97 -4.157 -7.812 -14.608 771 HD21 ASN 97 1HD2 ASN 97 -5.187 -7.865 -11.419 772 HD22 ASN 97 2HD2 ASN 97 -3.699 -7.424 -10.660 773 H MET 98 H MET 98 -7.073 -4.539 -15.306 774 HA MET 98 HA MET 98 -7.738 -6.395 -17.457 775 HB2 MET 98 2HB MET 98 -9.510 -5.376 -15.991 776 HB3 MET 98 3HB MET 98 -9.129 -3.819 -16.715 777 HG2 MET 98 2HG MET 98 -10.722 -4.309 -18.185 778 HG3 MET 98 3HG MET 98 -9.530 -5.384 -18.912 779 HE1 MET 98 1HE MET 98 -13.276 -5.480 -17.557 780 HE2 MET 98 2HE MET 98 -12.977 -6.478 -16.134 781 HE3 MET 98 3HE MET 98 -12.166 -4.920 -16.305 782 H THR 99 H THR 99 -6.350 -6.179 -19.121 783 HA THR 99 HA THR 99 -5.219 -3.688 -19.923 784 HB THR 99 HB THR 99 -3.940 -5.641 -20.394 785 HG1 THR 99 HG1 THR 99 -4.179 -3.908 -22.093 786 HG21 THR 99 1HG2 THR 99 -5.205 -7.075 -22.382 787 HG22 THR 99 2HG2 THR 99 -6.512 -6.706 -21.257 788 HG23 THR 99 3HG2 THR 99 -5.072 -7.551 -20.690 789 H VAL 100 H VAL 100 -7.212 -2.452 -20.141 790 HA VAL 100 HA VAL 100 -9.211 -3.038 -22.030 791 HB VAL 100 HB VAL 100 -8.364 -0.264 -21.205 792 HG11 VAL 100 1HG1 VAL 100 -10.701 -1.450 -22.558 793 HG12 VAL 100 2HG1 VAL 100 -11.048 -0.219 -21.341 794 HG13 VAL 100 3HG1 VAL 100 -9.998 0.160 -22.707 795 HG21 VAL 100 1HG2 VAL 100 -10.490 -1.039 -19.595 796 HG22 VAL 100 2HG2 VAL 100 -9.402 -2.427 -19.588 797 HG23 VAL 100 3HG2 VAL 100 -8.810 -0.839 -19.099 798 H SER 101 H SER 101 -9.612 -2.116 -24.096 799 HA SER 101 HA SER 101 -7.313 -2.059 -25.779 800 HB2 SER 101 2HB SER 101 -10.210 -1.409 -26.367 801 HB3 SER 101 3HB SER 101 -8.949 -1.569 -27.590 802 HG SER 101 HG SER 101 -10.408 -3.479 -26.812 803 H THR 102 H THR 102 -9.777 0.412 -25.048 804 HA THR 102 HA THR 102 -7.737 2.466 -25.602 805 HB THR 102 HB THR 102 -9.348 3.900 -26.600 806 HG1 THR 102 HG1 THR 102 -11.481 3.629 -26.385 807 HG21 THR 102 1HG2 THR 102 -9.642 2.817 -28.587 808 HG22 THR 102 2HG2 THR 102 -10.279 1.360 -27.825 809 HG23 THR 102 3HG2 THR 102 -8.543 1.673 -27.819 810 H ALA 103 H ALA 103 -7.744 4.304 -24.301 811 HA ALA 103 HA ALA 103 -8.326 4.008 -21.621 812 HB1 ALA 103 1HB ALA 103 -8.463 6.774 -22.621 813 HB2 ALA 103 2HB ALA 103 -7.444 6.066 -21.368 814 HB3 ALA 103 3HB ALA 103 -7.016 5.868 -23.067 815 H ALA 104 H ALA 104 -10.347 5.311 -24.188 816 HA ALA 104 HA ALA 104 -12.372 6.424 -22.590 817 HB1 ALA 104 1HB ALA 104 -12.803 7.128 -24.667 818 HB2 ALA 104 2HB ALA 104 -12.020 5.730 -25.404 819 HB3 ALA 104 3HB ALA 104 -13.690 5.615 -24.848 820 H ALA 105 H ALA 105 -12.238 3.243 -24.200 821 HA ALA 105 HA ALA 105 -14.633 2.207 -23.291 822 HB1 ALA 105 1HB ALA 105 -12.045 0.989 -24.122 823 HB2 ALA 105 2HB ALA 105 -13.278 -0.043 -23.396 824 HB3 ALA 105 3HB ALA 105 -13.641 0.866 -24.863 825 H ALA 106 H ALA 106 -11.481 2.242 -21.685 826 HA ALA 106 HA ALA 106 -12.273 0.680 -19.452 827 HB1 ALA 106 1HB ALA 106 -10.152 0.958 -18.692 828 HB2 ALA 106 2HB ALA 106 -9.891 1.427 -20.373 829 HB3 ALA 106 3HB ALA 106 -10.099 2.665 -19.135 830 H GLU 107 H GLU 107 -12.397 4.102 -20.189 831 HA GLU 107 HA GLU 107 -12.906 5.014 -17.553 832 HB2 GLU 107 2HB GLU 107 -12.137 6.600 -19.162 833 HB3 GLU 107 3HB GLU 107 -13.451 6.216 -20.265 834 HG2 GLU 107 2HG GLU 107 -14.864 7.621 -19.265 835 HG3 GLU 107 3HG GLU 107 -14.352 7.140 -17.649 836 H ASN 108 H ASN 108 -15.046 4.254 -20.287 837 HA ASN 108 HA ASN 108 -17.465 4.902 -19.015 838 HB2 ASN 108 2HB ASN 108 -16.675 3.890 -21.518 839 HB3 ASN 108 3HB ASN 108 -17.792 2.701 -20.855 840 HD21 ASN 108 1HD2 ASN 108 -17.982 4.709 -23.068 841 HD22 ASN 108 2HD2 ASN 108 -19.437 5.580 -22.738 842 H MET 109 H MET 109 -15.661 1.861 -19.203 843 HA MET 109 HA MET 109 -17.605 0.334 -17.784 844 HB2 MET 109 2HB MET 109 -15.997 -0.725 -19.293 845 HB3 MET 109 3HB MET 109 -14.669 -0.201 -18.266 846 HG2 MET 109 2HG MET 109 -16.474 -1.617 -16.627 847 HG3 MET 109 3HG MET 109 -16.247 -2.562 -18.097 848 HE1 MET 109 1HE MET 109 -15.593 -3.143 -15.058 849 HE2 MET 109 2HE MET 109 -15.054 -4.470 -16.085 850 HE3 MET 109 3HE MET 109 -13.940 -3.745 -14.926 851 H TYR 110 H TYR 110 -14.639 2.023 -16.871 852 HA TYR 110 HA TYR 110 -14.367 1.129 -14.261 853 HB2 TYR 110 2HB TYR 110 -12.693 2.524 -15.399 854 HB3 TYR 110 3HB TYR 110 -13.789 3.899 -15.336 855 HD1 TYR 110 HD1 TYR 110 -11.562 1.734 -13.387 856 HD2 TYR 110 HD2 TYR 110 -14.159 5.103 -13.267 857 HE1 TYR 110 HE1 TYR 110 -10.649 2.352 -11.189 858 HE2 TYR 110 HE2 TYR 110 -13.250 5.731 -11.069 859 HH TYR 110 HH TYR 110 -11.381 3.657 -9.192 860 H SER 111 H SER 111 -16.307 3.823 -15.505 861 HA SER 111 HA SER 111 -17.333 4.477 -12.892 862 HB2 SER 111 2HB SER 111 -18.427 6.280 -13.923 863 HB3 SER 111 3HB SER 111 -16.968 6.083 -14.892 864 HG SER 111 HG SER 111 -18.157 5.570 -16.547 865 H GLN 112 H GLN 112 -18.430 2.722 -15.732 866 HA GLN 112 HA GLN 112 -21.130 2.428 -14.983 867 HB2 GLN 112 2HB GLN 112 -19.291 1.020 -16.867 868 HB3 GLN 112 3HB GLN 112 -20.832 0.266 -16.478 869 HG2 GLN 112 2HG GLN 112 -22.060 1.948 -17.473 870 HG3 GLN 112 3HG GLN 112 -20.745 3.118 -17.354 871 HE21 GLN 112 1HE2 GLN 112 -22.243 2.585 -19.682 872 HE22 GLN 112 2HE2 GLN 112 -21.170 1.932 -20.869 873 H MET 113 H MET 113 -18.228 0.753 -14.038 874 HA MET 113 HA MET 113 -19.568 -1.507 -12.889 875 HB2 MET 113 2HB MET 113 -17.017 -1.072 -13.660 876 HB3 MET 113 3HB MET 113 -16.861 -0.788 -11.931 877 HG2 MET 113 2HG MET 113 -18.364 -3.201 -12.617 878 HG3 MET 113 3HG MET 113 -16.684 -3.211 -13.150 879 HE1 MET 113 1HE MET 113 -15.511 -4.761 -11.956 880 HE2 MET 113 2HE MET 113 -14.552 -3.418 -11.333 881 HE3 MET 113 3HE MET 113 -15.092 -4.696 -10.244 882 H GLY 114 H GLY 114 -18.860 1.698 -11.874 883 HA2 GLY 114 2HA GLY 114 -20.065 2.576 -9.969 884 HA3 GLY 114 3HA GLY 114 -19.851 1.020 -9.181 885 H LEU 115 H LEU 115 -17.169 2.343 -10.896 886 HA LEU 115 HA LEU 115 -15.758 2.699 -8.365 887 HB2 LEU 115 2HB LEU 115 -14.554 2.924 -11.104 888 HB3 LEU 115 3HB LEU 115 -13.755 2.539 -9.581 889 HG LEU 115 HG LEU 115 -15.571 0.746 -11.188 890 HD11 LEU 115 1HD1 LEU 115 -12.627 0.869 -10.677 891 HD12 LEU 115 2HD1 LEU 115 -13.494 0.647 -12.197 892 HD13 LEU 115 3HD1 LEU 115 -13.411 -0.672 -11.029 893 HD21 LEU 115 1HD2 LEU 115 -15.108 -0.948 -9.471 894 HD22 LEU 115 2HD2 LEU 115 -16.008 0.423 -8.821 895 HD23 LEU 115 3HD2 LEU 115 -14.280 0.271 -8.503 896 H ASP 116 H ASP 116 -17.102 4.534 -10.957 897 HA ASP 116 HA ASP 116 -16.053 6.990 -9.723 898 HB2 ASP 116 2HB ASP 116 -14.925 6.418 -11.920 899 HB3 ASP 116 3HB ASP 116 -16.487 6.670 -12.693 900 H THR 117 H THR 117 -17.376 8.933 -10.304 901 HA THR 117 HA THR 117 -20.208 8.233 -10.709 902 HB THR 117 HB THR 117 -19.676 10.533 -8.937 903 HG1 THR 117 HG1 THR 117 -19.231 9.195 -7.151 904 HG21 THR 117 1HG2 THR 117 -21.584 8.194 -8.894 905 HG22 THR 117 2HG2 THR 117 -21.941 9.852 -9.377 906 HG23 THR 117 3HG2 THR 117 -21.568 9.485 -7.694 907 H ARG 118 H ARG 118 -20.425 9.001 -12.759 908 HA ARG 118 HA ARG 118 -19.294 11.488 -13.611 909 HB2 ARG 118 2HB ARG 118 -21.036 9.397 -14.817 910 HB3 ARG 118 3HB ARG 118 -21.063 10.997 -15.545 911 HG2 ARG 118 2HG ARG 118 -18.475 10.759 -15.530 912 HG3 ARG 118 3HG ARG 118 -18.824 9.037 -15.373 913 HD2 ARG 118 2HD ARG 118 -19.362 8.876 -17.527 914 HD3 ARG 118 3HD ARG 118 -20.467 10.245 -17.412 915 HE ARG 118 HE ARG 118 -17.769 11.118 -17.491 916 HH11 ARG 118 1HH1 ARG 118 -20.328 9.868 -19.492 917 HH12 ARG 118 2HH1 ARG 118 -19.739 10.618 -20.940 918 HH21 ARG 118 1HH2 ARG 118 -16.983 12.109 -19.389 919 HH22 ARG 118 2HH2 ARG 118 -17.835 11.891 -20.880 920 HA PRO 119 HA PRO 119 -22.443 14.357 -12.568 921 HB2 PRO 119 2HB PRO 119 -22.546 15.944 -14.768 922 HB3 PRO 119 3HB PRO 119 -21.195 15.969 -13.628 923 HG2 PRO 119 2HG PRO 119 -21.415 14.586 -16.274 924 HG3 PRO 119 3HG PRO 119 -20.053 15.500 -15.598 925 HD2 PRO 119 2HD PRO 119 -20.143 12.794 -15.579 926 HD3 PRO 119 3HD PRO 119 -19.347 13.732 -14.300 Start of MODEL 14 1 H1 GLY 2 H GLY 2 2.736 -0.565 -1.556 2 HA2 GLY 2 2HA GLY 2 3.495 0.922 0.719 3 HA3 GLY 2 3HA GLY 2 4.551 -0.121 -0.222 4 H ASN 3 H ASN 3 2.828 2.762 -1.330 5 HA ASN 3 HA ASN 3 3.556 4.721 -2.224 6 HB2 ASN 3 2HB ASN 3 4.598 4.869 0.096 7 HB3 ASN 3 3HB ASN 3 6.102 4.336 -0.650 8 HD21 ASN 3 1HD2 ASN 3 5.634 6.810 0.684 9 HD22 ASN 3 2HD2 ASN 3 5.881 8.072 -0.472 10 H LEU 4 H LEU 4 3.815 4.292 -4.353 11 HA LEU 4 HA LEU 4 4.808 3.772 -6.338 12 HB2 LEU 4 2HB LEU 4 6.346 5.600 -5.070 13 HB3 LEU 4 3HB LEU 4 7.520 4.311 -5.324 14 HG LEU 4 HG LEU 4 5.963 5.798 -7.436 15 HD11 LEU 4 1HD1 LEU 4 8.303 6.467 -6.155 16 HD12 LEU 4 2HD1 LEU 4 7.779 7.054 -7.733 17 HD13 LEU 4 3HD1 LEU 4 8.862 5.667 -7.625 18 HD21 LEU 4 1HD2 LEU 4 6.147 3.442 -8.038 19 HD22 LEU 4 2HD2 LEU 4 7.884 3.491 -7.741 20 HD23 LEU 4 3HD2 LEU 4 7.187 4.436 -9.057 21 H LYS 5 H LYS 5 4.461 1.583 -4.583 22 HA LYS 5 HA LYS 5 6.635 -0.063 -4.163 23 HB2 LYS 5 2HB LYS 5 3.773 -0.354 -4.268 24 HB3 LYS 5 3HB LYS 5 4.541 -1.748 -5.019 25 HG2 LYS 5 2HG LYS 5 5.486 -0.777 -2.357 26 HG3 LYS 5 3HG LYS 5 4.031 -1.769 -2.480 27 HD2 LYS 5 2HD LYS 5 5.227 -3.579 -3.418 28 HD3 LYS 5 3HD LYS 5 6.648 -2.576 -3.725 29 HE2 LYS 5 2HE LYS 5 7.441 -3.388 -1.802 30 HE3 LYS 5 3HE LYS 5 6.286 -2.314 -1.013 31 HZ1 LYS 5 1HZ LYS 5 5.841 -4.369 -0.082 32 HZ2 LYS 5 2HZ LYS 5 6.056 -5.207 -1.534 33 HZ3 LYS 5 3HZ LYS 5 4.670 -4.266 -1.299 34 H SER 6 H SER 6 8.099 -0.901 -5.481 35 HA SER 6 HA SER 6 8.064 -0.642 -8.258 36 HB2 SER 6 2HB SER 6 9.634 -2.890 -7.115 37 HB3 SER 6 3HB SER 6 10.138 -1.606 -8.214 38 HG SER 6 HG SER 6 11.039 -0.860 -6.453 39 H ARG 7 H ARG 7 6.632 -3.015 -6.214 40 HA ARG 7 HA ARG 7 6.429 -5.111 -8.134 41 HB2 ARG 7 2HB ARG 7 4.656 -4.655 -5.731 42 HB3 ARG 7 3HB ARG 7 4.945 -6.175 -6.568 43 HG2 ARG 7 2HG ARG 7 6.992 -4.613 -5.005 44 HG3 ARG 7 3HG ARG 7 6.153 -6.066 -4.455 45 HD2 ARG 7 2HD ARG 7 7.933 -5.909 -6.886 46 HD3 ARG 7 3HD ARG 7 8.433 -6.516 -5.308 47 HE ARG 7 HE ARG 7 6.845 -7.888 -7.268 48 HH11 ARG 7 1HH1 ARG 7 7.622 -7.640 -3.883 49 HH12 ARG 7 2HH1 ARG 7 7.156 -9.269 -3.523 50 HH21 ARG 7 1HH2 ARG 7 6.229 -10.035 -6.807 51 HH22 ARG 7 2HH2 ARG 7 6.365 -10.632 -5.187 52 H ASP 8 H ASP 8 3.877 -3.034 -6.746 53 HA ASP 8 HA ASP 8 1.985 -3.681 -8.751 54 HB2 ASP 8 2HB ASP 8 1.929 -1.180 -7.066 55 HB3 ASP 8 3HB ASP 8 0.566 -2.079 -7.728 56 H TRP 9 H TRP 9 4.558 -1.394 -8.589 57 HA TRP 9 HA TRP 9 3.589 0.464 -10.501 58 HB2 TRP 9 2HB TRP 9 5.392 1.039 -8.951 59 HB3 TRP 9 3HB TRP 9 6.429 -0.184 -9.681 60 HD1 TRP 9 HD1 TRP 9 8.193 0.931 -11.145 61 HE1 TRP 9 HE1 TRP 9 8.269 2.939 -12.753 62 HE3 TRP 9 HE3 TRP 9 3.375 2.564 -10.632 63 HZ2 TRP 9 HZ2 TRP 9 6.518 4.949 -13.681 64 HZ3 TRP 9 HZ3 TRP 9 2.656 4.537 -11.915 65 HH2 TRP 9 HH2 TRP 9 4.197 5.703 -13.407 66 H LYS 10 H LYS 10 6.138 -2.016 -10.825 67 HA LYS 10 HA LYS 10 6.346 -1.842 -13.615 68 HB2 LYS 10 2HB LYS 10 7.634 -3.854 -13.507 69 HB3 LYS 10 3HB LYS 10 8.006 -2.913 -12.068 70 HG2 LYS 10 2HG LYS 10 6.260 -4.340 -10.884 71 HG3 LYS 10 3HG LYS 10 6.339 -5.396 -12.296 72 HD2 LYS 10 2HD LYS 10 8.838 -4.579 -10.858 73 HD3 LYS 10 3HD LYS 10 7.846 -5.908 -10.252 74 HE2 LYS 10 2HE LYS 10 8.645 -7.295 -11.797 75 HE3 LYS 10 3HE LYS 10 8.270 -6.158 -13.091 76 HZ1 LYS 10 1HZ LYS 10 10.763 -6.881 -12.261 77 HZ2 LYS 10 2HZ LYS 10 10.549 -5.357 -11.563 78 HZ3 LYS 10 3HZ LYS 10 10.389 -5.550 -13.236 79 H MET 11 H MET 11 4.209 -3.696 -11.548 80 HA MET 11 HA MET 11 3.215 -5.414 -13.592 81 HB2 MET 11 2HB MET 11 2.549 -4.809 -10.775 82 HB3 MET 11 3HB MET 11 1.222 -5.410 -11.760 83 HG2 MET 11 2HG MET 11 2.206 -7.459 -12.084 84 HG3 MET 11 3HG MET 11 3.832 -6.841 -11.798 85 HE1 MET 11 1HE MET 11 2.231 -9.663 -9.470 86 HE2 MET 11 2HE MET 11 3.038 -9.351 -11.006 87 HE3 MET 11 3HE MET 11 3.967 -9.355 -9.507 88 H ALA 12 H ALA 12 1.766 -2.600 -11.942 89 HA ALA 12 HA ALA 12 -0.532 -2.410 -13.498 90 HB1 ALA 12 1HB ALA 12 -0.793 -0.206 -12.638 91 HB2 ALA 12 2HB ALA 12 -0.055 -1.180 -11.366 92 HB3 ALA 12 3HB ALA 12 0.934 -0.064 -12.309 93 H ILE 13 H ILE 13 2.610 -0.804 -13.941 94 HA ILE 13 HA ILE 13 1.894 0.615 -16.272 95 HB ILE 13 HB ILE 13 4.614 -0.280 -15.317 96 HG12 ILE 13 2HG1 ILE 13 3.374 1.250 -13.801 97 HG13 ILE 13 3HG1 ILE 13 4.833 1.981 -14.462 98 HG21 ILE 13 1HG2 ILE 13 4.990 0.155 -17.557 99 HG22 ILE 13 2HG2 ILE 13 3.763 1.420 -17.623 100 HG23 ILE 13 3HG2 ILE 13 5.301 1.724 -16.815 101 HD11 ILE 13 1HD1 ILE 13 2.046 2.449 -15.492 102 HD12 ILE 13 2HD1 ILE 13 2.935 3.527 -14.415 103 HD13 ILE 13 3HD1 ILE 13 3.520 3.236 -16.053 104 H LYS 14 H LYS 14 3.092 -2.629 -15.735 105 HA LYS 14 HA LYS 14 3.896 -3.248 -18.350 106 HB2 LYS 14 2HB LYS 14 3.246 -4.736 -15.901 107 HB3 LYS 14 3HB LYS 14 2.964 -5.636 -17.384 108 HG2 LYS 14 2HG LYS 14 5.553 -4.207 -17.011 109 HG3 LYS 14 3HG LYS 14 5.277 -5.746 -16.193 110 HD2 LYS 14 2HD LYS 14 4.649 -6.702 -18.434 111 HD3 LYS 14 3HD LYS 14 5.219 -5.195 -19.155 112 HE2 LYS 14 2HE LYS 14 7.419 -5.629 -18.654 113 HE3 LYS 14 3HE LYS 14 7.014 -6.665 -17.287 114 HZ1 LYS 14 1HZ LYS 14 6.204 -7.588 -19.932 115 HZ2 LYS 14 2HZ LYS 14 6.774 -8.470 -18.605 116 HZ3 LYS 14 3HZ LYS 14 7.860 -7.624 -19.588 117 H ARG 15 H ARG 15 0.757 -3.637 -16.737 118 HA ARG 15 HA ARG 15 -0.547 -4.819 -18.957 119 HB2 ARG 15 2HB ARG 15 -1.655 -3.334 -16.569 120 HB3 ARG 15 3HB ARG 15 -2.639 -4.208 -17.734 121 HG2 ARG 15 2HG ARG 15 -0.434 -5.544 -16.203 122 HG3 ARG 15 3HG ARG 15 -2.071 -5.392 -15.560 123 HD2 ARG 15 2HD ARG 15 -2.957 -6.842 -17.096 124 HD3 ARG 15 3HD ARG 15 -1.730 -6.476 -18.308 125 HE ARG 15 HE ARG 15 -0.487 -7.769 -16.164 126 HH11 ARG 15 1HH1 ARG 15 -2.799 -8.438 -18.679 127 HH12 ARG 15 2HH1 ARG 15 -2.403 -10.121 -18.776 128 HH21 ARG 15 1HH2 ARG 15 0.046 -9.983 -16.282 129 HH22 ARG 15 2HH2 ARG 15 -0.784 -11.000 -17.412 130 H CYS 16 H CYS 16 -0.582 -1.494 -17.681 131 HA CYS 16 HA CYS 16 -2.206 -0.431 -19.730 132 HB2 CYS 16 2HB CYS 16 -0.160 1.077 -18.095 133 HB3 CYS 16 3HB CYS 16 -1.592 1.735 -18.880 134 HG CYS 16 HG CYS 16 -2.591 -0.619 -16.860 135 H SER 17 H SER 17 1.020 -1.452 -19.738 136 HA SER 17 HA SER 17 2.238 0.337 -21.503 137 HB2 SER 17 2HB SER 17 3.990 -1.078 -21.364 138 HB3 SER 17 3HB SER 17 3.003 -1.972 -20.207 139 HG SER 17 HG SER 17 3.333 -3.517 -21.622 140 H ASN 18 H ASN 18 -0.224 -1.980 -22.038 141 HA ASN 18 HA ASN 18 0.110 -1.700 -24.953 142 HB2 ASN 18 2HB ASN 18 -0.932 -3.980 -23.289 143 HB3 ASN 18 3HB ASN 18 -1.371 -3.822 -24.987 144 HD21 ASN 18 1HD2 ASN 18 1.034 -4.738 -22.748 145 HD22 ASN 18 2HD2 ASN 18 2.236 -5.227 -23.889 146 H VAL 19 H VAL 19 -1.168 0.276 -23.424 147 HA VAL 19 HA VAL 19 -4.019 -0.141 -24.014 148 HB VAL 19 HB VAL 19 -3.309 0.527 -21.670 149 HG11 VAL 19 1HG1 VAL 19 -2.535 2.663 -21.199 150 HG12 VAL 19 2HG1 VAL 19 -1.642 2.242 -22.662 151 HG13 VAL 19 3HG1 VAL 19 -3.048 3.302 -22.760 152 HG21 VAL 19 1HG2 VAL 19 -5.066 2.705 -22.278 153 HG22 VAL 19 2HG2 VAL 19 -5.507 1.298 -23.245 154 HG23 VAL 19 3HG2 VAL 19 -5.427 1.171 -21.489 155 H ALA 20 H ALA 20 -5.152 1.289 -25.288 156 HA ALA 20 HA ALA 20 -3.529 2.931 -27.066 157 HB1 ALA 20 1HB ALA 20 -6.486 2.493 -27.323 158 HB2 ALA 20 2HB ALA 20 -5.307 2.870 -28.581 159 HB3 ALA 20 3HB ALA 20 -5.321 1.272 -27.835 160 H VAL 21 H VAL 21 -3.998 5.120 -27.523 161 HA VAL 21 HA VAL 21 -5.071 6.562 -25.225 162 HB VAL 21 HB VAL 21 -4.056 8.542 -26.169 163 HG11 VAL 21 1HG1 VAL 21 -2.609 6.151 -25.522 164 HG12 VAL 21 2HG1 VAL 21 -1.695 7.115 -26.684 165 HG13 VAL 21 3HG1 VAL 21 -2.213 7.829 -25.156 166 HG21 VAL 21 1HG2 VAL 21 -2.565 7.960 -28.311 167 HG22 VAL 21 2HG2 VAL 21 -3.910 6.856 -28.598 168 HG23 VAL 21 3HG2 VAL 21 -4.209 8.586 -28.433 169 H GLY 22 H GLY 22 -5.862 5.802 -28.510 170 HA2 GLY 22 2HA GLY 22 -7.560 7.877 -29.218 171 HA3 GLY 22 3HA GLY 22 -7.750 6.213 -29.749 172 H VAL 23 H VAL 23 -10.022 7.489 -29.540 173 HA VAL 23 HA VAL 23 -11.128 6.951 -26.874 174 HB VAL 23 HB VAL 23 -12.421 8.434 -29.165 175 HG11 VAL 23 1HG1 VAL 23 -13.338 9.034 -26.483 176 HG12 VAL 23 2HG1 VAL 23 -14.261 8.574 -27.916 177 HG13 VAL 23 3HG1 VAL 23 -13.549 7.330 -26.887 178 HG21 VAL 23 1HG2 VAL 23 -11.921 10.311 -27.272 179 HG22 VAL 23 2HG2 VAL 23 -10.496 9.283 -27.113 180 HG23 VAL 23 3HG2 VAL 23 -10.890 10.009 -28.671 181 H GLY 24 H GLY 24 -11.849 6.404 -30.319 182 HA2 GLY 24 2HA GLY 24 -13.089 3.852 -29.576 183 HA3 GLY 24 3HA GLY 24 -14.051 5.001 -30.494 184 H GLY 25 H GLY 25 -10.764 3.607 -30.629 185 HA2 GLY 25 2HA GLY 25 -11.120 2.264 -33.055 186 HA3 GLY 25 3HA GLY 25 -10.513 3.872 -33.429 187 H LYS 26 H LYS 26 -8.398 3.930 -33.712 188 HA LYS 26 HA LYS 26 -6.572 2.845 -31.810 189 HB2 LYS 26 2HB LYS 26 -7.173 0.783 -33.042 190 HB3 LYS 26 3HB LYS 26 -6.639 1.540 -34.537 191 HG2 LYS 26 2HG LYS 26 -4.533 0.975 -34.153 192 HG3 LYS 26 3HG LYS 26 -4.575 1.683 -32.537 193 HD2 LYS 26 2HD LYS 26 -5.737 -0.406 -31.761 194 HD3 LYS 26 3HD LYS 26 -5.403 -1.100 -33.350 195 HE2 LYS 26 2HE LYS 26 -2.960 -0.084 -32.531 196 HE3 LYS 26 3HE LYS 26 -3.652 -0.766 -31.060 197 HZ1 LYS 26 1HZ LYS 26 -3.215 -2.174 -33.636 198 HZ2 LYS 26 2HZ LYS 26 -4.040 -2.840 -32.318 199 HZ3 LYS 26 3HZ LYS 26 -2.400 -2.446 -32.177 200 H SER 27 H SER 27 -5.245 4.533 -31.705 201 HA SER 27 HA SER 27 -4.187 5.627 -34.227 202 HB2 SER 27 2HB SER 27 -5.790 7.014 -32.473 203 HB3 SER 27 3HB SER 27 -4.171 7.479 -31.950 204 HG SER 27 HG SER 27 -4.514 8.877 -33.538 205 H LYS 28 H LYS 28 -3.581 5.335 -30.734 206 HA LYS 28 HA LYS 28 -0.918 4.394 -31.164 207 HB2 LYS 28 2HB LYS 28 -1.297 7.218 -30.962 208 HB3 LYS 28 3HB LYS 28 -0.476 6.665 -29.509 209 HG2 LYS 28 2HG LYS 28 0.720 5.412 -31.772 210 HG3 LYS 28 3HG LYS 28 0.618 7.151 -32.061 211 HD2 LYS 28 2HD LYS 28 1.691 7.547 -29.874 212 HD3 LYS 28 3HD LYS 28 1.843 5.802 -29.654 213 HE2 LYS 28 2HE LYS 28 3.056 5.908 -31.962 214 HE3 LYS 28 3HE LYS 28 3.268 7.611 -31.560 215 HZ1 LYS 28 1HZ LYS 28 3.946 5.907 -29.375 216 HZ2 LYS 28 2HZ LYS 28 4.866 7.114 -30.121 217 HZ3 LYS 28 3HZ LYS 28 4.863 5.544 -30.750 218 H LYS 29 H LYS 29 0.287 4.540 -28.874 219 HA LYS 29 HA LYS 29 -1.689 3.754 -26.833 220 HB2 LYS 29 2HB LYS 29 -0.047 2.113 -26.008 221 HB3 LYS 29 3HB LYS 29 -0.529 1.786 -27.667 222 HG2 LYS 29 2HG LYS 29 1.551 2.017 -28.428 223 HG3 LYS 29 3HG LYS 29 1.824 3.487 -27.490 224 HD2 LYS 29 2HD LYS 29 2.679 2.348 -25.698 225 HD3 LYS 29 3HD LYS 29 1.738 0.893 -26.038 226 HE2 LYS 29 2HE LYS 29 3.953 0.303 -26.531 227 HE3 LYS 29 3HE LYS 29 3.215 0.625 -28.098 228 HZ1 LYS 29 1HZ LYS 29 4.201 2.841 -28.051 229 HZ2 LYS 29 2HZ LYS 29 5.388 1.639 -27.954 230 HZ3 LYS 29 3HZ LYS 29 4.938 2.497 -26.567 231 H PHE 30 H PHE 30 -0.947 3.989 -24.595 232 HA PHE 30 HA PHE 30 0.127 6.557 -24.121 233 HB2 PHE 30 2HB PHE 30 -0.790 4.280 -22.459 234 HB3 PHE 30 3HB PHE 30 0.314 5.413 -21.688 235 HD1 PHE 30 HD1 PHE 30 -0.522 7.326 -20.709 236 HD2 PHE 30 HD2 PHE 30 -2.834 5.326 -23.670 237 HE1 PHE 30 HE1 PHE 30 -2.397 8.860 -20.275 238 HE2 PHE 30 HE2 PHE 30 -4.713 6.857 -23.242 239 HZ PHE 30 HZ PHE 30 -4.495 8.627 -21.543 240 H GLY 31 H GLY 31 1.919 6.662 -22.251 241 HA2 GLY 31 2HA GLY 31 4.122 4.831 -22.784 242 HA3 GLY 31 3HA GLY 31 4.375 6.505 -23.259 243 H GLU 32 H GLU 32 6.186 5.843 -21.603 244 HA GLU 32 HA GLU 32 5.615 5.752 -18.860 245 HB2 GLU 32 2HB GLU 32 8.055 6.624 -20.395 246 HB3 GLU 32 3HB GLU 32 8.009 6.631 -18.638 247 HG2 GLU 32 2HG GLU 32 8.848 4.566 -18.876 248 HG3 GLU 32 3HG GLU 32 7.156 4.129 -19.110 249 H GLY 33 H GLY 33 6.584 8.521 -20.887 250 HA2 GLY 33 2HA GLY 33 6.377 10.452 -18.837 251 HA3 GLY 33 3HA GLY 33 6.360 10.783 -20.563 252 H ASN 34 H ASN 34 3.997 9.032 -20.955 253 HA ASN 34 HA ASN 34 2.001 11.015 -20.677 254 HB2 ASN 34 2HB ASN 34 2.203 8.949 -22.309 255 HB3 ASN 34 3HB ASN 34 1.274 8.138 -21.052 256 HD21 ASN 34 1HD2 ASN 34 0.659 9.009 -23.853 257 HD22 ASN 34 2HD2 ASN 34 -0.809 9.909 -23.714 258 H PHE 35 H PHE 35 2.381 7.861 -19.056 259 HA PHE 35 HA PHE 35 0.238 8.210 -17.265 260 HB2 PHE 35 2HB PHE 35 2.706 6.474 -17.082 261 HB3 PHE 35 3HB PHE 35 1.354 6.379 -15.958 262 HD1 PHE 35 HD1 PHE 35 -0.943 6.655 -17.759 263 HD2 PHE 35 HD2 PHE 35 2.675 4.464 -18.230 264 HE1 PHE 35 HE1 PHE 35 -2.091 5.091 -19.271 265 HE2 PHE 35 HE2 PHE 35 1.533 2.896 -19.744 266 HZ PHE 35 HZ PHE 35 -0.853 3.209 -20.267 267 H ARG 36 H ARG 36 3.721 8.784 -16.899 268 HA ARG 36 HA ARG 36 3.632 9.599 -14.204 269 HB2 ARG 36 2HB ARG 36 5.620 9.132 -16.029 270 HB3 ARG 36 3HB ARG 36 5.688 10.882 -15.867 271 HG2 ARG 36 2HG ARG 36 6.231 10.776 -13.609 272 HG3 ARG 36 3HG ARG 36 5.655 9.116 -13.453 273 HD2 ARG 36 2HD ARG 36 7.619 8.257 -14.104 274 HD3 ARG 36 3HD ARG 36 7.797 9.427 -15.411 275 HE ARG 36 HE ARG 36 8.280 10.822 -13.089 276 HH11 ARG 36 1HH1 ARG 36 9.640 8.052 -14.701 277 HH12 ARG 36 2HH1 ARG 36 11.238 8.314 -14.086 278 HH21 ARG 36 1HH2 ARG 36 10.380 11.179 -12.272 279 HH22 ARG 36 2HH2 ARG 36 11.658 10.093 -12.702 280 H TRP 37 H TRP 37 2.860 11.227 -17.157 281 HA TRP 37 HA TRP 37 3.105 13.892 -16.179 282 HB2 TRP 37 2HB TRP 37 3.178 13.583 -18.544 283 HB3 TRP 37 3HB TRP 37 1.653 12.701 -18.542 284 HD1 TRP 37 HD1 TRP 37 3.059 16.252 -18.383 285 HE1 TRP 37 HE1 TRP 37 1.149 17.916 -18.838 286 HE3 TRP 37 HE3 TRP 37 -0.880 12.994 -18.352 287 HZ2 TRP 37 HZ2 TRP 37 -1.656 17.855 -19.141 288 HZ3 TRP 37 HZ3 TRP 37 -3.145 13.879 -18.732 289 HH2 TRP 37 HH2 TRP 37 -3.523 16.259 -19.118 290 H ALA 38 H ALA 38 0.279 11.802 -16.779 291 HA ALA 38 HA ALA 38 -1.556 13.618 -15.566 292 HB1 ALA 38 1HB ALA 38 -2.812 12.339 -16.908 293 HB2 ALA 38 2HB ALA 38 -1.676 10.990 -16.846 294 HB3 ALA 38 3HB ALA 38 -2.850 11.215 -15.548 295 H ILE 39 H ILE 39 0.017 10.620 -14.506 296 HA ILE 39 HA ILE 39 -1.258 10.320 -12.049 297 HB ILE 39 HB ILE 39 1.522 9.560 -12.926 298 HG12 ILE 39 2HG1 ILE 39 -0.478 8.437 -13.956 299 HG13 ILE 39 3HG1 ILE 39 0.618 7.344 -13.118 300 HG21 ILE 39 1HG2 ILE 39 0.321 9.498 -10.251 301 HG22 ILE 39 2HG2 ILE 39 1.026 7.971 -10.778 302 HG23 ILE 39 3HG2 ILE 39 2.014 9.432 -10.740 303 HD11 ILE 39 1HD1 ILE 39 -1.502 8.361 -11.409 304 HD12 ILE 39 2HD1 ILE 39 -2.097 7.457 -12.801 305 HD13 ILE 39 3HD1 ILE 39 -0.955 6.707 -11.684 306 H ARG 40 H ARG 40 1.759 12.047 -12.811 307 HA ARG 40 HA ARG 40 2.255 12.934 -10.178 308 HB2 ARG 40 2HB ARG 40 3.979 12.883 -11.934 309 HB3 ARG 40 3HB ARG 40 3.135 14.162 -12.795 310 HG2 ARG 40 2HG ARG 40 3.653 14.938 -10.072 311 HG3 ARG 40 3HG ARG 40 5.140 14.443 -10.885 312 HD2 ARG 40 2HD ARG 40 3.334 16.180 -12.440 313 HD3 ARG 40 3HD ARG 40 4.094 16.925 -11.034 314 HE ARG 40 HE ARG 40 5.937 15.500 -12.712 315 HH11 ARG 40 1HH1 ARG 40 4.297 18.527 -12.193 316 HH12 ARG 40 2HH1 ARG 40 5.484 19.464 -13.039 317 HH21 ARG 40 1HH2 ARG 40 7.506 16.722 -13.827 318 HH22 ARG 40 2HH2 ARG 40 7.309 18.436 -13.968 319 H MET 41 H MET 41 0.991 14.741 -12.986 320 HA MET 41 HA MET 41 0.389 17.111 -11.709 321 HB2 MET 41 2HB MET 41 0.258 16.660 -14.175 322 HB3 MET 41 3HB MET 41 -1.280 15.856 -13.892 323 HG2 MET 41 2HG MET 41 -2.329 17.853 -13.247 324 HG3 MET 41 3HG MET 41 -0.792 18.692 -13.053 325 HE1 MET 41 1HE MET 41 0.454 19.072 -16.683 326 HE2 MET 41 2HE MET 41 0.370 20.098 -15.251 327 HE3 MET 41 3HE MET 41 0.923 18.428 -15.109 328 H ALA 42 H ALA 42 -1.515 14.146 -11.884 329 HA ALA 42 HA ALA 42 -3.894 15.122 -10.765 330 HB1 ALA 42 1HB ALA 42 -4.291 12.721 -10.134 331 HB2 ALA 42 2HB ALA 42 -3.925 13.004 -11.836 332 HB3 ALA 42 3HB ALA 42 -2.681 12.367 -10.761 333 H ASN 43 H ASN 43 -1.110 13.539 -9.208 334 HA ASN 43 HA ASN 43 -2.110 13.649 -6.585 335 HB2 ASN 43 2HB ASN 43 0.698 13.485 -7.678 336 HB3 ASN 43 3HB ASN 43 0.354 13.453 -5.951 337 HD21 ASN 43 1HD2 ASN 43 1.427 11.453 -7.941 338 HD22 ASN 43 2HD2 ASN 43 0.480 10.035 -7.667 339 H VAL 44 H VAL 44 0.260 15.771 -8.199 340 HA VAL 44 HA VAL 44 0.581 17.610 -6.138 341 HB VAL 44 HB VAL 44 0.689 18.162 -9.108 342 HG11 VAL 44 1HG1 VAL 44 1.664 19.697 -6.715 343 HG12 VAL 44 2HG1 VAL 44 2.329 19.944 -8.331 344 HG13 VAL 44 3HG1 VAL 44 0.619 20.249 -8.024 345 HG21 VAL 44 1HG2 VAL 44 2.324 16.603 -8.958 346 HG22 VAL 44 2HG2 VAL 44 3.257 17.973 -8.356 347 HG23 VAL 44 3HG2 VAL 44 2.535 16.832 -7.222 348 H SER 45 H SER 45 -1.749 17.609 -8.814 349 HA SER 45 HA SER 45 -2.946 20.083 -8.238 350 HB2 SER 45 2HB SER 45 -3.228 18.773 -10.362 351 HB3 SER 45 3HB SER 45 -4.304 17.685 -9.486 352 HG SER 45 HG SER 45 -5.636 19.166 -10.365 353 H THR 46 H THR 46 -3.324 16.938 -6.821 354 HA THR 46 HA THR 46 -5.639 17.859 -5.266 355 HB THR 46 HB THR 46 -5.902 15.482 -4.601 356 HG1 THR 46 HG1 THR 46 -4.107 14.718 -6.620 357 HG21 THR 46 1HG2 THR 46 -5.738 15.645 -7.598 358 HG22 THR 46 2HG2 THR 46 -6.952 16.539 -6.683 359 HG23 THR 46 3HG2 THR 46 -6.908 14.778 -6.604 360 H GLY 47 H GLY 47 -2.903 18.754 -4.755 361 HA2 GLY 47 2HA GLY 47 -1.456 19.051 -2.996 362 HA3 GLY 47 3HA GLY 47 -2.854 18.705 -1.989 363 H ARG 48 H ARG 48 -0.583 16.902 -4.070 364 HA ARG 48 HA ARG 48 0.038 15.147 -1.833 365 HB2 ARG 48 2HB ARG 48 -1.748 14.397 -3.965 366 HB3 ARG 48 3HB ARG 48 -0.305 13.393 -4.008 367 HG2 ARG 48 2HG ARG 48 -0.742 12.431 -1.977 368 HG3 ARG 48 3HG ARG 48 -1.679 13.813 -1.403 369 HD2 ARG 48 2HD ARG 48 -3.336 13.140 -3.283 370 HD3 ARG 48 3HD ARG 48 -2.504 11.586 -3.224 371 HE ARG 48 HE ARG 48 -4.345 12.638 -1.291 372 HH11 ARG 48 1HH1 ARG 48 -1.656 10.482 -1.784 373 HH12 ARG 48 2HH1 ARG 48 -2.045 9.477 -0.428 374 HH21 ARG 48 1HH2 ARG 48 -4.868 11.322 0.496 375 HH22 ARG 48 2HH2 ARG 48 -3.873 9.955 0.867 376 H GLU 49 H GLU 49 1.983 13.981 -2.091 377 HA GLU 49 HA GLU 49 4.052 15.286 -3.369 378 HB2 GLU 49 2HB GLU 49 3.689 12.674 -2.073 379 HB3 GLU 49 3HB GLU 49 4.985 12.714 -3.261 380 HG2 GLU 49 2HG GLU 49 6.105 14.459 -2.103 381 HG3 GLU 49 3HG GLU 49 4.731 14.707 -1.028 382 HA PRO 50 HA PRO 50 4.035 14.159 -7.608 383 HB2 PRO 50 2HB PRO 50 6.674 13.786 -8.127 384 HB3 PRO 50 3HB PRO 50 5.966 15.381 -7.843 385 HG2 PRO 50 2HG PRO 50 7.471 13.613 -5.953 386 HG3 PRO 50 3HG PRO 50 7.605 15.365 -6.193 387 HD2 PRO 50 2HD PRO 50 6.216 14.278 -4.139 388 HD3 PRO 50 3HD PRO 50 5.747 15.810 -4.903 389 H GLY 51 H GLY 51 6.286 12.077 -5.771 390 HA2 GLY 51 2HA GLY 51 5.757 9.858 -7.576 391 HA3 GLY 51 3HA GLY 51 6.905 9.870 -6.245 392 H ASP 52 H ASP 52 3.389 10.408 -6.478 393 HA ASP 52 HA ASP 52 3.051 8.551 -4.229 394 HB2 ASP 52 2HB ASP 52 2.139 11.010 -4.287 395 HB3 ASP 52 3HB ASP 52 0.852 10.305 -5.261 396 H ILE 53 H ILE 53 3.359 6.750 -5.744 397 HA ILE 53 HA ILE 53 0.849 6.118 -7.152 398 HB ILE 53 HB ILE 53 3.558 5.134 -8.033 399 HG12 ILE 53 2HG1 ILE 53 1.964 7.479 -9.088 400 HG13 ILE 53 3HG1 ILE 53 3.517 7.564 -8.265 401 HG21 ILE 53 1HG2 ILE 53 2.419 3.857 -9.445 402 HG22 ILE 53 2HG2 ILE 53 0.924 4.390 -8.677 403 HG23 ILE 53 3HG2 ILE 53 1.557 5.262 -10.073 404 HD11 ILE 53 1HD1 ILE 53 2.900 6.554 -11.011 405 HD12 ILE 53 2HD1 ILE 53 4.046 7.797 -10.512 406 HD13 ILE 53 3HD1 ILE 53 4.386 6.100 -10.177 407 HA PRO 54 HA PRO 54 1.851 2.918 -3.900 408 HB2 PRO 54 2HB PRO 54 -0.597 2.972 -2.728 409 HB3 PRO 54 3HB PRO 54 0.718 4.056 -2.258 410 HG2 PRO 54 2HG PRO 54 -1.620 4.581 -4.052 411 HG3 PRO 54 3HG PRO 54 -0.923 5.616 -2.793 412 HD2 PRO 54 2HD PRO 54 -0.407 5.978 -5.427 413 HD3 PRO 54 3HD PRO 54 0.783 6.346 -4.162 414 H GLU 55 H GLU 55 -0.561 3.415 -6.321 415 HA GLU 55 HA GLU 55 -1.768 1.999 -7.629 416 HB2 GLU 55 2HB GLU 55 0.159 -0.089 -6.597 417 HB3 GLU 55 3HB GLU 55 -0.876 -0.249 -8.009 418 HG2 GLU 55 2HG GLU 55 1.278 1.830 -7.719 419 HG3 GLU 55 3HG GLU 55 1.492 0.279 -8.528 420 H THR 56 H THR 56 -3.518 2.388 -6.080 421 HA THR 56 HA THR 56 -4.520 -0.134 -5.040 422 HB THR 56 HB THR 56 -5.082 0.755 -2.841 423 HG1 THR 56 HG1 THR 56 -3.443 3.004 -3.274 424 HG21 THR 56 1HG2 THR 56 -2.150 1.195 -3.413 425 HG22 THR 56 2HG2 THR 56 -2.900 -0.385 -3.186 426 HG23 THR 56 3HG2 THR 56 -2.876 0.778 -1.862 427 H LEU 57 H LEU 57 -6.688 -0.307 -5.232 428 HA LEU 57 HA LEU 57 -8.152 1.378 -6.852 429 HB2 LEU 57 2HB LEU 57 -8.796 -0.786 -4.949 430 HB3 LEU 57 3HB LEU 57 -10.128 0.277 -5.399 431 HG LEU 57 HG LEU 57 -8.443 -1.339 -7.312 432 HD11 LEU 57 1HD1 LEU 57 -11.008 -1.838 -5.917 433 HD12 LEU 57 2HD1 LEU 57 -9.756 -2.968 -6.434 434 HD13 LEU 57 3HD1 LEU 57 -10.897 -2.316 -7.611 435 HD21 LEU 57 1HD2 LEU 57 -9.913 0.983 -7.778 436 HD22 LEU 57 2HD2 LEU 57 -10.953 -0.335 -8.316 437 HD23 LEU 57 3HD2 LEU 57 -9.328 -0.168 -8.980 438 H ASP 58 H ASP 58 -7.594 1.566 -3.416 439 HA ASP 58 HA ASP 58 -9.664 3.460 -2.871 440 HB2 ASP 58 2HB ASP 58 -7.654 2.029 -1.377 441 HB3 ASP 58 3HB ASP 58 -7.654 3.729 -0.916 442 H GLN 59 H GLN 59 -6.220 3.670 -3.608 443 HA GLN 59 HA GLN 59 -5.994 6.465 -3.163 444 HB2 GLN 59 2HB GLN 59 -3.996 5.169 -3.108 445 HB3 GLN 59 3HB GLN 59 -4.307 4.497 -4.704 446 HG2 GLN 59 2HG GLN 59 -4.106 7.419 -4.626 447 HG3 GLN 59 3HG GLN 59 -2.631 6.562 -4.185 448 HE21 GLN 59 1HE2 GLN 59 -2.552 4.437 -5.757 449 HE22 GLN 59 2HE2 GLN 59 -2.533 4.878 -7.427 450 H LEU 60 H LEU 60 -6.138 4.574 -6.185 451 HA LEU 60 HA LEU 60 -6.252 6.718 -7.951 452 HB2 LEU 60 2HB LEU 60 -7.686 4.100 -8.328 453 HB3 LEU 60 3HB LEU 60 -7.079 5.182 -9.579 454 HG LEU 60 HG LEU 60 -5.008 4.179 -7.768 455 HD11 LEU 60 1HD1 LEU 60 -5.605 2.039 -7.752 456 HD12 LEU 60 2HD1 LEU 60 -5.319 2.026 -9.492 457 HD13 LEU 60 3HD1 LEU 60 -6.940 2.330 -8.867 458 HD21 LEU 60 1HD2 LEU 60 -5.266 4.070 -10.769 459 HD22 LEU 60 2HD2 LEU 60 -3.791 3.928 -9.813 460 HD23 LEU 60 3HD2 LEU 60 -4.655 5.464 -9.877 461 H ARG 61 H ARG 61 -8.911 4.948 -6.397 462 HA ARG 61 HA ARG 61 -11.043 6.262 -7.609 463 HB2 ARG 61 2HB ARG 61 -11.388 4.276 -6.272 464 HB3 ARG 61 3HB ARG 61 -10.819 5.102 -4.828 465 HG2 ARG 61 2HG ARG 61 -12.788 6.134 -4.478 466 HG3 ARG 61 3HG ARG 61 -13.099 6.360 -6.200 467 HD2 ARG 61 2HD ARG 61 -13.567 3.890 -6.324 468 HD3 ARG 61 3HD ARG 61 -13.502 3.865 -4.563 469 HE ARG 61 HE ARG 61 -15.304 5.828 -5.153 470 HH11 ARG 61 1HH1 ARG 61 -14.987 2.454 -5.952 471 HH12 ARG 61 2HH1 ARG 61 -16.695 2.187 -6.070 472 HH21 ARG 61 1HH2 ARG 61 -17.554 5.490 -5.306 473 HH22 ARG 61 2HH2 ARG 61 -18.154 3.915 -5.704 474 H LEU 62 H LEU 62 -9.305 7.081 -4.620 475 HA LEU 62 HA LEU 62 -10.830 9.312 -3.903 476 HB2 LEU 62 2HB LEU 62 -8.356 8.088 -3.107 477 HB3 LEU 62 3HB LEU 62 -8.181 9.842 -3.143 478 HG LEU 62 HG LEU 62 -8.769 9.142 -0.920 479 HD11 LEU 62 1HD1 LEU 62 -9.841 11.200 -2.071 480 HD12 LEU 62 2HD1 LEU 62 -10.466 10.658 -0.513 481 HD13 LEU 62 3HD1 LEU 62 -11.327 10.252 -1.999 482 HD21 LEU 62 1HD2 LEU 62 -9.834 7.005 -1.546 483 HD22 LEU 62 2HD2 LEU 62 -11.240 7.899 -2.123 484 HD23 LEU 62 3HD2 LEU 62 -10.805 7.945 -0.413 485 H VAL 63 H VAL 63 -8.148 8.964 -6.142 486 HA VAL 63 HA VAL 63 -7.647 11.723 -6.532 487 HB VAL 63 HB VAL 63 -7.167 9.516 -8.533 488 HG11 VAL 63 1HG1 VAL 63 -5.336 10.965 -9.287 489 HG12 VAL 63 2HG1 VAL 63 -6.905 11.762 -9.429 490 HG13 VAL 63 3HG1 VAL 63 -5.817 12.179 -8.104 491 HG21 VAL 63 1HG2 VAL 63 -5.753 8.608 -7.077 492 HG22 VAL 63 2HG2 VAL 63 -4.791 10.084 -7.164 493 HG23 VAL 63 3HG2 VAL 63 -6.029 9.909 -5.920 494 H ILE 64 H ILE 64 -9.733 9.396 -8.187 495 HA ILE 64 HA ILE 64 -10.547 11.072 -10.294 496 HB ILE 64 HB ILE 64 -12.059 8.800 -9.002 497 HG12 ILE 64 2HG1 ILE 64 -9.837 8.174 -9.892 498 HG13 ILE 64 3HG1 ILE 64 -11.149 7.430 -10.800 499 HG21 ILE 64 1HG2 ILE 64 -12.493 10.304 -11.568 500 HG22 ILE 64 2HG2 ILE 64 -13.167 8.701 -11.276 501 HG23 ILE 64 3HG2 ILE 64 -13.628 10.053 -10.242 502 HD11 ILE 64 1HD1 ILE 64 -9.461 8.192 -12.317 503 HD12 ILE 64 2HD1 ILE 64 -10.899 9.194 -12.512 504 HD13 ILE 64 3HD1 ILE 64 -9.508 9.811 -11.622 505 H CYS 65 H CYS 65 -11.844 10.567 -7.048 506 HA CYS 65 HA CYS 65 -14.198 12.074 -7.353 507 HB2 CYS 65 2HB CYS 65 -13.808 10.530 -5.471 508 HB3 CYS 65 3HB CYS 65 -12.565 11.609 -4.849 509 HG CYS 65 HG CYS 65 -15.347 11.583 -3.648 510 H ASP 66 H ASP 66 -11.084 13.003 -5.886 511 HA ASP 66 HA ASP 66 -11.755 15.711 -5.506 512 HB2 ASP 66 2HB ASP 66 -9.088 14.315 -5.742 513 HB3 ASP 66 3HB ASP 66 -9.244 16.028 -5.364 514 H LEU 67 H LEU 67 -9.778 14.168 -8.039 515 HA LEU 67 HA LEU 67 -9.213 16.411 -9.553 516 HB2 LEU 67 2HB LEU 67 -8.364 14.035 -9.837 517 HB3 LEU 67 3HB LEU 67 -9.843 13.722 -10.742 518 HG LEU 67 HG LEU 67 -8.130 15.992 -11.613 519 HD11 LEU 67 1HD1 LEU 67 -6.581 14.088 -11.153 520 HD12 LEU 67 2HD1 LEU 67 -6.639 14.595 -12.840 521 HD13 LEU 67 3HD1 LEU 67 -7.490 13.138 -12.329 522 HD21 LEU 67 1HD2 LEU 67 -9.816 13.914 -13.002 523 HD22 LEU 67 2HD2 LEU 67 -8.881 15.158 -13.831 524 HD23 LEU 67 3HD2 LEU 67 -10.205 15.618 -12.761 525 H GLN 68 H GLN 68 -12.081 14.347 -9.624 526 HA GLN 68 HA GLN 68 -13.325 15.460 -11.868 527 HB2 GLN 68 2HB GLN 68 -14.114 13.389 -10.895 528 HB3 GLN 68 3HB GLN 68 -14.531 14.210 -9.396 529 HG2 GLN 68 2HG GLN 68 -16.437 15.100 -10.246 530 HG3 GLN 68 3HG GLN 68 -15.795 15.197 -11.884 531 HE21 GLN 68 1HE2 GLN 68 -16.713 12.792 -9.446 532 HE22 GLN 68 2HE2 GLN 68 -17.427 11.682 -10.560 533 H GLU 69 H GLU 69 -13.742 16.260 -8.422 534 HA GLU 69 HA GLU 69 -15.613 18.279 -8.673 535 HB2 GLU 69 2HB GLU 69 -13.621 17.483 -6.672 536 HB3 GLU 69 3HB GLU 69 -14.031 19.192 -6.625 537 HG2 GLU 69 2HG GLU 69 -16.462 17.820 -6.859 538 HG3 GLU 69 3HG GLU 69 -15.512 16.939 -5.665 539 H ARG 70 H ARG 70 -12.095 18.463 -8.980 540 HA ARG 70 HA ARG 70 -12.034 21.296 -9.330 541 HB2 ARG 70 2HB ARG 70 -10.109 19.085 -9.333 542 HB3 ARG 70 3HB ARG 70 -9.706 20.373 -10.461 543 HG2 ARG 70 2HG ARG 70 -10.457 21.608 -8.042 544 HG3 ARG 70 3HG ARG 70 -9.361 20.286 -7.636 545 HD2 ARG 70 2HD ARG 70 -7.645 21.154 -8.990 546 HD3 ARG 70 3HD ARG 70 -8.746 22.248 -9.824 547 HE ARG 70 HE ARG 70 -8.544 22.764 -7.008 548 HH11 ARG 70 1HH1 ARG 70 -7.117 23.361 -10.128 549 HH12 ARG 70 2HH1 ARG 70 -6.368 24.847 -9.645 550 HH21 ARG 70 1HH2 ARG 70 -7.563 24.719 -6.361 551 HH22 ARG 70 2HH2 ARG 70 -6.622 25.617 -7.502 552 H ARG 71 H ARG 71 -12.116 18.517 -11.495 553 HA ARG 71 HA ARG 71 -11.568 19.797 -13.907 554 HB2 ARG 71 2HB ARG 71 -11.636 17.412 -13.851 555 HB3 ARG 71 3HB ARG 71 -13.296 17.409 -13.273 556 HG2 ARG 71 2HG ARG 71 -12.789 18.710 -15.879 557 HG3 ARG 71 3HG ARG 71 -12.648 16.952 -15.810 558 HD2 ARG 71 2HD ARG 71 -15.001 17.868 -14.410 559 HD3 ARG 71 3HD ARG 71 -14.987 18.450 -16.074 560 HE ARG 71 HE ARG 71 -14.347 15.683 -15.935 561 HH11 ARG 71 1HH1 ARG 71 -16.997 17.935 -15.794 562 HH12 ARG 71 2HH1 ARG 71 -18.171 16.790 -16.353 563 HH21 ARG 71 1HH2 ARG 71 -15.883 14.166 -16.671 564 HH22 ARG 71 2HH2 ARG 71 -17.537 14.646 -16.851 565 H GLU 72 H GLU 72 -14.525 19.635 -12.033 566 HA GLU 72 HA GLU 72 -16.141 20.819 -14.107 567 HB2 GLU 72 2HB GLU 72 -16.578 19.792 -11.367 568 HB3 GLU 72 3HB GLU 72 -17.659 21.077 -11.888 569 HG2 GLU 72 2HG GLU 72 -18.066 19.664 -13.967 570 HG3 GLU 72 3HG GLU 72 -17.287 18.354 -13.082 571 H LYS 73 H LYS 73 -15.257 21.879 -10.815 572 HA LYS 73 HA LYS 73 -16.129 24.490 -10.990 573 HB2 LYS 73 2HB LYS 73 -14.847 23.011 -9.094 574 HB3 LYS 73 3HB LYS 73 -13.580 24.143 -9.549 575 HG2 LYS 73 2HG LYS 73 -15.499 25.911 -9.245 576 HG3 LYS 73 3HG LYS 73 -16.193 24.649 -8.225 577 HD2 LYS 73 2HD LYS 73 -14.939 25.833 -6.696 578 HD3 LYS 73 3HD LYS 73 -13.797 24.578 -7.184 579 HE2 LYS 73 2HE LYS 73 -13.677 26.900 -8.917 580 HE3 LYS 73 3HE LYS 73 -13.375 27.319 -7.232 581 HZ1 LYS 73 1HZ LYS 73 -11.319 26.756 -8.302 582 HZ2 LYS 73 2HZ LYS 73 -11.934 25.270 -8.827 583 HZ3 LYS 73 3HZ LYS 73 -11.688 25.549 -7.176 584 H PHE 74 H PHE 74 -13.205 23.052 -12.258 585 HA PHE 74 HA PHE 74 -12.164 25.658 -13.062 586 HB2 PHE 74 2HB PHE 74 -10.656 23.910 -12.084 587 HB3 PHE 74 3HB PHE 74 -10.949 22.928 -13.515 588 HD1 PHE 74 HD1 PHE 74 -9.408 23.034 -15.205 589 HD2 PHE 74 HD2 PHE 74 -9.886 26.396 -12.640 590 HE1 PHE 74 HE1 PHE 74 -7.567 24.180 -16.369 591 HE2 PHE 74 HE2 PHE 74 -8.047 27.547 -13.800 592 HZ PHE 74 HZ PHE 74 -6.885 26.440 -15.667 593 H GLY 75 H GLY 75 -13.842 22.929 -14.354 594 HA2 GLY 75 2HA GLY 75 -15.065 23.069 -16.391 595 HA3 GLY 75 3HA GLY 75 -13.911 24.262 -16.968 596 H SER 76 H SER 76 -14.605 22.259 -18.639 597 HA SER 76 HA SER 76 -12.741 20.064 -18.437 598 HB2 SER 76 2HB SER 76 -14.177 20.624 -20.986 599 HB3 SER 76 3HB SER 76 -13.914 19.091 -20.154 600 HG SER 76 HG SER 76 -15.434 20.019 -18.530 601 H SER 77 H SER 77 -10.796 19.891 -19.373 602 HA SER 77 HA SER 77 -10.040 21.716 -21.518 603 HB2 SER 77 2HB SER 77 -8.141 22.607 -20.431 604 HB3 SER 77 3HB SER 77 -9.427 22.711 -19.229 605 HG SER 77 HG SER 77 -7.118 21.570 -18.918 606 H LYS 78 H LYS 78 -7.857 21.137 -22.416 607 HA LYS 78 HA LYS 78 -7.784 18.447 -23.156 608 HB2 LYS 78 2HB LYS 78 -6.624 20.650 -24.126 609 HB3 LYS 78 3HB LYS 78 -5.251 20.007 -23.235 610 HG2 LYS 78 2HG LYS 78 -4.810 18.745 -24.999 611 HG3 LYS 78 3HG LYS 78 -6.272 17.827 -24.629 612 HD2 LYS 78 2HD LYS 78 -6.819 18.427 -26.744 613 HD3 LYS 78 3HD LYS 78 -7.368 19.897 -25.936 614 HE2 LYS 78 2HE LYS 78 -6.064 20.902 -27.477 615 HE3 LYS 78 3HE LYS 78 -4.781 20.521 -26.330 616 HZ1 LYS 78 1HZ LYS 78 -5.554 18.797 -28.620 617 HZ2 LYS 78 2HZ LYS 78 -4.248 18.557 -27.572 618 HZ3 LYS 78 3HZ LYS 78 -4.251 19.877 -28.630 619 H GLU 79 H GLU 79 -5.972 20.195 -20.675 620 HA GLU 79 HA GLU 79 -4.278 18.036 -19.964 621 HB2 GLU 79 2HB GLU 79 -5.133 20.446 -18.351 622 HB3 GLU 79 3HB GLU 79 -3.826 19.354 -17.918 623 HG2 GLU 79 2HG GLU 79 -2.581 19.995 -19.878 624 HG3 GLU 79 3HG GLU 79 -3.916 21.003 -20.433 625 H ILE 80 H ILE 80 -7.062 19.421 -18.211 626 HA ILE 80 HA ILE 80 -7.271 17.432 -16.278 627 HB ILE 80 HB ILE 80 -9.493 19.098 -17.464 628 HG12 ILE 80 2HG1 ILE 80 -7.605 20.394 -16.500 629 HG13 ILE 80 3HG1 ILE 80 -9.105 20.608 -15.604 630 HG21 ILE 80 1HG2 ILE 80 -10.698 17.536 -16.320 631 HG22 ILE 80 2HG2 ILE 80 -9.387 17.188 -15.194 632 HG23 ILE 80 3HG2 ILE 80 -10.349 18.652 -15.002 633 HD11 ILE 80 1HD1 ILE 80 -7.237 20.388 -14.093 634 HD12 ILE 80 2HD1 ILE 80 -8.312 18.999 -13.932 635 HD13 ILE 80 3HD1 ILE 80 -6.797 18.843 -14.821 636 H ASP 81 H ASP 81 -8.267 17.442 -19.598 637 HA ASP 81 HA ASP 81 -10.159 15.336 -19.463 638 HB2 ASP 81 2HB ASP 81 -10.194 16.750 -21.386 639 HB3 ASP 81 3HB ASP 81 -8.497 16.433 -21.731 640 H MET 82 H MET 82 -6.810 15.311 -20.702 641 HA MET 82 HA MET 82 -6.646 12.497 -20.860 642 HB2 MET 82 2HB MET 82 -4.775 14.771 -21.107 643 HB3 MET 82 3HB MET 82 -4.047 13.234 -20.662 644 HG2 MET 82 2HG MET 82 -5.632 12.455 -22.701 645 HG3 MET 82 3HG MET 82 -5.246 14.100 -23.199 646 HE1 MET 82 1HE MET 82 -3.698 14.734 -24.369 647 HE2 MET 82 2HE MET 82 -2.029 14.608 -23.812 648 HE3 MET 82 3HE MET 82 -2.562 13.684 -25.217 649 H ALA 83 H ALA 83 -6.307 14.701 -18.241 650 HA ALA 83 HA ALA 83 -4.645 13.154 -16.552 651 HB1 ALA 83 1HB ALA 83 -5.059 15.556 -16.218 652 HB2 ALA 83 2HB ALA 83 -6.726 15.192 -15.770 653 HB3 ALA 83 3HB ALA 83 -5.396 14.611 -14.768 654 H ILE 84 H ILE 84 -8.177 13.670 -16.404 655 HA ILE 84 HA ILE 84 -8.672 11.691 -14.480 656 HB ILE 84 HB ILE 84 -10.322 13.400 -14.958 657 HG12 ILE 84 2HG1 ILE 84 -11.959 11.178 -15.880 658 HG13 ILE 84 3HG1 ILE 84 -10.852 10.689 -14.602 659 HG21 ILE 84 1HG2 ILE 84 -10.763 12.059 -17.620 660 HG22 ILE 84 2HG2 ILE 84 -11.561 13.507 -17.008 661 HG23 ILE 84 3HG2 ILE 84 -9.841 13.545 -17.394 662 HD11 ILE 84 1HD1 ILE 84 -13.035 12.732 -14.517 663 HD12 ILE 84 2HD1 ILE 84 -12.778 11.331 -13.477 664 HD13 ILE 84 3HD1 ILE 84 -11.723 12.738 -13.338 665 H VAL 85 H VAL 85 -8.637 11.555 -18.010 666 HA VAL 85 HA VAL 85 -9.660 8.959 -18.312 667 HB VAL 85 HB VAL 85 -7.708 10.439 -20.078 668 HG11 VAL 85 1HG1 VAL 85 -8.850 8.858 -21.812 669 HG12 VAL 85 2HG1 VAL 85 -7.504 8.271 -20.832 670 HG13 VAL 85 3HG1 VAL 85 -9.162 7.853 -20.398 671 HG21 VAL 85 1HG2 VAL 85 -10.234 11.189 -19.488 672 HG22 VAL 85 2HG2 VAL 85 -9.447 11.512 -21.032 673 HG23 VAL 85 3HG2 VAL 85 -10.527 10.129 -20.865 674 H THR 86 H THR 86 -6.417 10.136 -17.659 675 HA THR 86 HA THR 86 -5.091 7.654 -18.087 676 HB THR 86 HB THR 86 -4.255 10.111 -16.540 677 HG1 THR 86 HG1 THR 86 -4.482 10.006 -18.983 678 HG21 THR 86 1HG2 THR 86 -2.799 8.672 -15.564 679 HG22 THR 86 2HG2 THR 86 -1.935 8.857 -17.089 680 HG23 THR 86 3HG2 THR 86 -2.980 7.461 -16.831 681 H LEU 87 H LEU 87 -5.924 9.398 -15.087 682 HA LEU 87 HA LEU 87 -5.127 7.474 -13.269 683 HB2 LEU 87 2HB LEU 87 -6.192 9.903 -13.036 684 HB3 LEU 87 3HB LEU 87 -7.634 8.950 -12.694 685 HG LEU 87 HG LEU 87 -6.495 9.646 -10.646 686 HD11 LEU 87 1HD1 LEU 87 -7.584 7.260 -11.131 687 HD12 LEU 87 2HD1 LEU 87 -6.900 7.699 -9.566 688 HD13 LEU 87 3HD1 LEU 87 -5.954 6.740 -10.702 689 HD21 LEU 87 1HD2 LEU 87 -4.180 9.284 -11.997 690 HD22 LEU 87 2HD2 LEU 87 -4.231 7.809 -11.033 691 HD23 LEU 87 3HD2 LEU 87 -4.298 9.384 -10.240 692 H LYS 88 H LYS 88 -7.987 7.597 -15.257 693 HA LYS 88 HA LYS 88 -9.407 5.545 -13.848 694 HB2 LYS 88 2HB LYS 88 -9.774 6.744 -16.596 695 HB3 LYS 88 3HB LYS 88 -10.854 5.538 -15.907 696 HG2 LYS 88 2HG LYS 88 -10.369 7.881 -14.208 697 HG3 LYS 88 3HG LYS 88 -11.215 8.211 -15.721 698 HD2 LYS 88 2HD LYS 88 -12.624 6.104 -14.999 699 HD3 LYS 88 3HD LYS 88 -12.055 6.555 -13.389 700 HE2 LYS 88 2HE LYS 88 -13.254 8.494 -13.363 701 HE3 LYS 88 3HE LYS 88 -13.160 8.705 -15.110 702 HZ1 LYS 88 1HZ LYS 88 -15.140 7.320 -13.521 703 HZ2 LYS 88 2HZ LYS 88 -14.654 6.494 -14.914 704 HZ3 LYS 88 3HZ LYS 88 -15.290 8.057 -15.037 705 H VAL 89 H VAL 89 -8.157 5.541 -17.190 706 HA VAL 89 HA VAL 89 -8.263 2.820 -17.623 707 HB VAL 89 HB VAL 89 -7.780 4.481 -19.385 708 HG11 VAL 89 1HG1 VAL 89 -6.085 5.717 -17.948 709 HG12 VAL 89 2HG1 VAL 89 -4.929 4.474 -18.431 710 HG13 VAL 89 3HG1 VAL 89 -5.678 5.506 -19.651 711 HG21 VAL 89 1HG2 VAL 89 -5.622 2.382 -19.249 712 HG22 VAL 89 2HG2 VAL 89 -7.303 2.036 -19.652 713 HG23 VAL 89 3HG2 VAL 89 -6.344 3.089 -20.693 714 H PHE 90 H PHE 90 -5.832 4.691 -15.933 715 HA PHE 90 HA PHE 90 -3.896 2.599 -15.786 716 HB2 PHE 90 2HB PHE 90 -3.523 5.133 -15.510 717 HB3 PHE 90 3HB PHE 90 -4.084 4.902 -13.856 718 HD1 PHE 90 HD1 PHE 90 -1.265 5.095 -15.861 719 HD2 PHE 90 HD2 PHE 90 -2.883 2.842 -12.632 720 HE1 PHE 90 HE1 PHE 90 1.007 4.427 -15.192 721 HE2 PHE 90 HE2 PHE 90 -0.615 2.172 -11.958 722 HZ PHE 90 HZ PHE 90 1.334 2.966 -13.238 723 H ALA 91 H ALA 91 -6.431 3.792 -13.633 724 HA ALA 91 HA ALA 91 -5.790 2.135 -11.430 725 HB1 ALA 91 1HB ALA 91 -7.191 4.171 -11.289 726 HB2 ALA 91 2HB ALA 91 -8.479 3.306 -12.128 727 HB3 ALA 91 3HB ALA 91 -7.937 2.760 -10.541 728 H VAL 92 H VAL 92 -7.934 1.729 -14.207 729 HA VAL 92 HA VAL 92 -8.976 -0.787 -13.281 730 HB VAL 92 HB VAL 92 -9.130 0.345 -16.075 731 HG11 VAL 92 1HG1 VAL 92 -10.673 -1.761 -14.584 732 HG12 VAL 92 2HG1 VAL 92 -11.284 -0.997 -16.053 733 HG13 VAL 92 3HG1 VAL 92 -9.783 -1.921 -16.099 734 HG21 VAL 92 1HG2 VAL 92 -11.556 0.759 -14.725 735 HG22 VAL 92 2HG2 VAL 92 -10.287 1.332 -13.641 736 HG23 VAL 92 3HG2 VAL 92 -10.408 1.980 -15.277 737 H ALA 93 H ALA 93 -7.031 0.093 -16.143 738 HA ALA 93 HA ALA 93 -6.301 -2.545 -16.786 739 HB1 ALA 93 1HB ALA 93 -4.782 -0.031 -17.460 740 HB2 ALA 93 2HB ALA 93 -4.709 -1.577 -18.305 741 HB3 ALA 93 3HB ALA 93 -6.190 -0.620 -18.344 742 H GLY 94 H GLY 94 -5.224 -0.477 -14.304 743 HA2 GLY 94 2HA GLY 94 -2.673 -1.901 -14.020 744 HA3 GLY 94 3HA GLY 94 -3.133 -0.434 -13.169 745 H LEU 95 H LEU 95 -4.992 -0.692 -11.612 746 HA LEU 95 HA LEU 95 -4.347 -2.601 -9.674 747 HB2 LEU 95 2HB LEU 95 -5.949 -0.369 -9.810 748 HB3 LEU 95 3HB LEU 95 -7.108 -1.672 -9.560 749 HG LEU 95 HG LEU 95 -6.540 -0.733 -7.434 750 HD11 LEU 95 1HD1 LEU 95 -6.414 -3.381 -8.007 751 HD12 LEU 95 2HD1 LEU 95 -6.354 -2.704 -6.380 752 HD13 LEU 95 3HD1 LEU 95 -4.859 -3.126 -7.214 753 HD21 LEU 95 1HD2 LEU 95 -3.757 -0.954 -8.469 754 HD22 LEU 95 2HD2 LEU 95 -4.029 -1.101 -6.733 755 HD23 LEU 95 3HD2 LEU 95 -4.533 0.359 -7.583 756 H LEU 96 H LEU 96 -6.959 -2.553 -12.072 757 HA LEU 96 HA LEU 96 -7.863 -5.187 -11.245 758 HB2 LEU 96 2HB LEU 96 -9.126 -3.005 -12.331 759 HB3 LEU 96 3HB LEU 96 -8.979 -4.092 -13.712 760 HG LEU 96 HG LEU 96 -9.959 -5.591 -11.499 761 HD11 LEU 96 1HD1 LEU 96 -12.163 -4.335 -11.307 762 HD12 LEU 96 2HD1 LEU 96 -11.293 -2.937 -11.937 763 HD13 LEU 96 3HD1 LEU 96 -10.787 -3.679 -10.420 764 HD21 LEU 96 1HD2 LEU 96 -10.923 -4.752 -14.200 765 HD22 LEU 96 2HD2 LEU 96 -12.014 -5.591 -13.097 766 HD23 LEU 96 3HD2 LEU 96 -10.510 -6.360 -13.604 767 H ASN 97 H ASN 97 -5.430 -4.043 -13.147 768 HA ASN 97 HA ASN 97 -4.158 -4.883 -14.841 769 HB2 ASN 97 2HB ASN 97 -5.221 -7.531 -13.832 770 HB3 ASN 97 3HB ASN 97 -3.748 -7.283 -14.765 771 HD21 ASN 97 1HD2 ASN 97 -1.924 -7.060 -13.684 772 HD22 ASN 97 2HD2 ASN 97 -1.785 -6.698 -12.001 773 H MET 98 H MET 98 -6.926 -4.191 -15.472 774 HA MET 98 HA MET 98 -8.000 -6.119 -17.267 775 HB2 MET 98 2HB MET 98 -8.855 -3.704 -16.148 776 HB3 MET 98 3HB MET 98 -8.782 -3.394 -17.878 777 HG2 MET 98 2HG MET 98 -10.147 -5.834 -16.820 778 HG3 MET 98 3HG MET 98 -10.969 -4.276 -16.848 779 HE1 MET 98 1HE MET 98 -10.741 -7.233 -20.144 780 HE2 MET 98 2HE MET 98 -9.829 -7.336 -18.638 781 HE3 MET 98 3HE MET 98 -11.590 -7.251 -18.597 782 H THR 99 H THR 99 -8.023 -6.111 -19.533 783 HA THR 99 HA THR 99 -5.695 -4.781 -20.733 784 HB THR 99 HB THR 99 -5.940 -6.440 -22.570 785 HG1 THR 99 HG1 THR 99 -7.373 -8.205 -22.187 786 HG21 THR 99 1HG2 THR 99 -5.045 -8.316 -21.350 787 HG22 THR 99 2HG2 THR 99 -5.760 -7.733 -19.847 788 HG23 THR 99 3HG2 THR 99 -4.453 -6.829 -20.610 789 H VAL 100 H VAL 100 -7.836 -3.122 -20.356 790 HA VAL 100 HA VAL 100 -9.782 -2.945 -22.301 791 HB VAL 100 HB VAL 100 -9.623 -0.434 -21.968 792 HG11 VAL 100 1HG1 VAL 100 -9.891 -1.035 -19.265 793 HG12 VAL 100 2HG1 VAL 100 -11.173 -1.012 -20.478 794 HG13 VAL 100 3HG1 VAL 100 -10.340 -2.521 -20.102 795 HG21 VAL 100 1HG2 VAL 100 -7.954 -0.682 -19.610 796 HG22 VAL 100 2HG2 VAL 100 -7.069 -1.048 -21.090 797 HG23 VAL 100 3HG2 VAL 100 -7.892 0.501 -20.916 798 H SER 101 H SER 101 -9.946 -1.980 -24.317 799 HA SER 101 HA SER 101 -7.593 -2.105 -25.937 800 HB2 SER 101 2HB SER 101 -10.484 -1.490 -26.432 801 HB3 SER 101 3HB SER 101 -9.293 -1.108 -27.675 802 HG SER 101 HG SER 101 -9.741 -3.141 -28.163 803 H THR 102 H THR 102 -9.783 0.531 -24.980 804 HA THR 102 HA THR 102 -7.594 2.424 -25.539 805 HB THR 102 HB THR 102 -9.111 4.056 -26.368 806 HG1 THR 102 HG1 THR 102 -11.109 2.290 -25.402 807 HG21 THR 102 1HG2 THR 102 -10.075 1.470 -27.578 808 HG22 THR 102 2HG2 THR 102 -8.483 2.155 -27.907 809 HG23 THR 102 3HG2 THR 102 -9.937 3.046 -28.355 810 H ALA 103 H ALA 103 -7.601 4.365 -24.251 811 HA ALA 103 HA ALA 103 -7.966 3.916 -21.520 812 HB1 ALA 103 1HB ALA 103 -6.482 5.640 -22.694 813 HB2 ALA 103 2HB ALA 103 -7.916 6.667 -22.715 814 HB3 ALA 103 3HB ALA 103 -7.251 6.114 -21.179 815 H ALA 104 H ALA 104 -10.075 5.406 -23.906 816 HA ALA 104 HA ALA 104 -11.948 6.522 -22.117 817 HB1 ALA 104 1HB ALA 104 -12.750 5.516 -24.815 818 HB2 ALA 104 2HB ALA 104 -13.250 6.982 -23.970 819 HB3 ALA 104 3HB ALA 104 -11.637 6.877 -24.673 820 H ALA 105 H ALA 105 -11.949 3.426 -23.875 821 HA ALA 105 HA ALA 105 -14.381 2.441 -22.955 822 HB1 ALA 105 1HB ALA 105 -12.935 1.461 -24.760 823 HB2 ALA 105 2HB ALA 105 -11.948 0.748 -23.484 824 HB3 ALA 105 3HB ALA 105 -13.644 0.291 -23.648 825 H ALA 106 H ALA 106 -11.159 2.218 -21.503 826 HA ALA 106 HA ALA 106 -11.833 0.519 -19.370 827 HB1 ALA 106 1HB ALA 106 -9.712 0.852 -18.629 828 HB2 ALA 106 2HB ALA 106 -9.518 1.471 -20.270 829 HB3 ALA 106 3HB ALA 106 -9.760 2.590 -18.929 830 H GLU 107 H GLU 107 -11.623 4.072 -19.499 831 HA GLU 107 HA GLU 107 -12.448 4.510 -16.842 832 HB2 GLU 107 2HB GLU 107 -11.335 6.276 -18.004 833 HB3 GLU 107 3HB GLU 107 -12.531 6.266 -19.293 834 HG2 GLU 107 2HG GLU 107 -13.602 6.780 -16.610 835 HG3 GLU 107 3HG GLU 107 -12.508 8.013 -17.233 836 H ASN 108 H ASN 108 -14.222 4.055 -19.828 837 HA ASN 108 HA ASN 108 -16.735 4.976 -19.001 838 HB2 ASN 108 2HB ASN 108 -15.702 3.893 -21.313 839 HB3 ASN 108 3HB ASN 108 -16.815 2.640 -20.773 840 HD21 ASN 108 1HD2 ASN 108 -16.508 5.519 -22.430 841 HD22 ASN 108 2HD2 ASN 108 -18.180 5.943 -22.536 842 H MET 109 H MET 109 -15.341 1.704 -18.893 843 HA MET 109 HA MET 109 -17.606 0.551 -17.604 844 HB2 MET 109 2HB MET 109 -16.228 -1.427 -17.351 845 HB3 MET 109 3HB MET 109 -16.013 -0.761 -18.965 846 HG2 MET 109 2HG MET 109 -13.880 0.071 -18.456 847 HG3 MET 109 3HG MET 109 -14.125 -0.136 -16.723 848 HE1 MET 109 1HE MET 109 -13.398 -1.655 -15.475 849 HE2 MET 109 2HE MET 109 -14.170 -3.220 -15.728 850 HE3 MET 109 3HE MET 109 -12.420 -3.062 -15.891 851 H TYR 110 H TYR 110 -14.779 2.228 -16.517 852 HA TYR 110 HA TYR 110 -14.713 1.268 -13.855 853 HB2 TYR 110 2HB TYR 110 -12.784 2.387 -14.779 854 HB3 TYR 110 3HB TYR 110 -13.714 3.853 -15.065 855 HD1 TYR 110 HD1 TYR 110 -14.387 5.285 -13.177 856 HD2 TYR 110 HD2 TYR 110 -11.907 1.876 -12.604 857 HE1 TYR 110 HE1 TYR 110 -13.745 6.132 -10.958 858 HE2 TYR 110 HE2 TYR 110 -11.259 2.712 -10.384 859 HH TYR 110 HH TYR 110 -11.422 4.377 -8.924 860 H SER 111 H SER 111 -16.387 3.951 -15.414 861 HA SER 111 HA SER 111 -17.561 4.778 -12.875 862 HB2 SER 111 2HB SER 111 -17.186 6.745 -13.947 863 HB3 SER 111 3HB SER 111 -17.212 5.996 -15.543 864 HG SER 111 HG SER 111 -19.097 6.933 -15.660 865 H GLN 112 H GLN 112 -18.426 3.200 -15.876 866 HA GLN 112 HA GLN 112 -21.210 3.324 -15.694 867 HB2 GLN 112 2HB GLN 112 -19.271 1.494 -17.029 868 HB3 GLN 112 3HB GLN 112 -20.954 0.993 -16.934 869 HG2 GLN 112 2HG GLN 112 -20.492 3.742 -17.875 870 HG3 GLN 112 3HG GLN 112 -19.927 2.456 -18.940 871 HE21 GLN 112 1HE2 GLN 112 -21.360 2.191 -20.490 872 HE22 GLN 112 2HE2 GLN 112 -23.073 2.096 -20.286 873 H MET 113 H MET 113 -18.979 0.818 -14.507 874 HA MET 113 HA MET 113 -21.167 -0.434 -13.034 875 HB2 MET 113 2HB MET 113 -18.296 -1.350 -13.142 876 HB3 MET 113 3HB MET 113 -19.715 -2.292 -12.703 877 HG2 MET 113 2HG MET 113 -20.529 -2.087 -15.020 878 HG3 MET 113 3HG MET 113 -19.047 -1.229 -15.436 879 HE1 MET 113 1HE MET 113 -17.059 -3.125 -13.377 880 HE2 MET 113 2HE MET 113 -16.347 -4.003 -14.730 881 HE3 MET 113 3HE MET 113 -16.661 -2.272 -14.869 882 H GLY 114 H GLY 114 -19.609 2.185 -12.413 883 HA2 GLY 114 2HA GLY 114 -18.857 3.291 -10.544 884 HA3 GLY 114 3HA GLY 114 -19.928 2.206 -9.669 885 H LEU 115 H LEU 115 -17.195 1.066 -11.529 886 HA LEU 115 HA LEU 115 -15.288 -0.025 -10.942 887 HB2 LEU 115 2HB LEU 115 -14.833 2.198 -9.888 888 HB3 LEU 115 3HB LEU 115 -15.463 1.546 -8.376 889 HG LEU 115 HG LEU 115 -13.647 -0.044 -8.257 890 HD11 LEU 115 1HD1 LEU 115 -13.379 0.602 -11.057 891 HD12 LEU 115 2HD1 LEU 115 -12.731 -0.763 -10.148 892 HD13 LEU 115 3HD1 LEU 115 -11.839 0.756 -10.211 893 HD21 LEU 115 1HD2 LEU 115 -13.132 2.851 -8.526 894 HD22 LEU 115 2HD2 LEU 115 -11.714 1.803 -8.512 895 HD23 LEU 115 3HD2 LEU 115 -12.852 1.766 -7.163 896 H ASP 116 H ASP 116 -17.388 -1.585 -10.646 897 HA ASP 116 HA ASP 116 -16.699 -3.187 -8.311 898 HB2 ASP 116 2HB ASP 116 -18.624 -1.715 -7.653 899 HB3 ASP 116 3HB ASP 116 -19.577 -2.492 -8.914 900 H THR 117 H THR 117 -16.649 -5.302 -8.771 901 HA THR 117 HA THR 117 -17.805 -6.163 -11.342 902 HB THR 117 HB THR 117 -15.918 -8.079 -10.452 903 HG1 THR 117 HG1 THR 117 -14.848 -5.437 -10.478 904 HG21 THR 117 1HG2 THR 117 -14.682 -6.751 -12.489 905 HG22 THR 117 2HG2 THR 117 -16.368 -6.291 -12.735 906 HG23 THR 117 3HG2 THR 117 -15.914 -7.995 -12.702 907 H ARG 118 H ARG 118 -19.744 -7.022 -10.818 908 HA ARG 118 HA ARG 118 -21.269 -8.507 -10.016 909 HB2 ARG 118 2HB ARG 118 -18.722 -9.940 -9.934 910 HB3 ARG 118 3HB ARG 118 -19.882 -10.534 -8.753 911 HG2 ARG 118 2HG ARG 118 -21.294 -11.343 -10.335 912 HG3 ARG 118 3HG ARG 118 -20.855 -10.107 -11.517 913 HD2 ARG 118 2HD ARG 118 -19.687 -11.735 -12.514 914 HD3 ARG 118 3HD ARG 118 -18.512 -11.486 -11.223 915 HE ARG 118 HE ARG 118 -20.581 -13.340 -10.518 916 HH11 ARG 118 1HH1 ARG 118 -17.522 -12.976 -12.138 917 HH12 ARG 118 2HH1 ARG 118 -17.070 -14.636 -11.937 918 HH21 ARG 118 1HH2 ARG 118 -19.998 -15.527 -10.246 919 HH22 ARG 118 2HH2 ARG 118 -18.479 -16.087 -10.861 920 HA PRO 119 HA PRO 119 -21.988 -7.593 -5.786 921 HB2 PRO 119 2HB PRO 119 -23.477 -9.712 -4.972 922 HB3 PRO 119 3HB PRO 119 -24.099 -8.461 -6.053 923 HG2 PRO 119 2HG PRO 119 -23.039 -11.181 -6.714 924 HG3 PRO 119 3HG PRO 119 -24.463 -10.348 -7.364 925 HD2 PRO 119 2HD PRO 119 -22.112 -10.472 -8.700 926 HD3 PRO 119 3HD PRO 119 -23.210 -9.084 -8.829 Start of MODEL 15 1 H1 GLY 2 H GLY 2 1.569 -0.144 0.411 2 HA2 GLY 2 2HA GLY 2 2.395 -0.014 -2.256 3 HA3 GLY 2 3HA GLY 2 1.608 1.290 -1.379 4 H ASN 3 H ASN 3 2.753 3.068 -0.902 5 HA ASN 3 HA ASN 3 4.458 4.577 -0.986 6 HB2 ASN 3 2HB ASN 3 5.099 3.070 0.973 7 HB3 ASN 3 3HB ASN 3 6.243 2.301 -0.125 8 HD21 ASN 3 1HD2 ASN 3 6.935 3.642 2.246 9 HD22 ASN 3 2HD2 ASN 3 7.889 5.019 1.824 10 H LEU 4 H LEU 4 3.994 4.048 -3.442 11 HA LEU 4 HA LEU 4 4.794 3.833 -5.564 12 HB2 LEU 4 2HB LEU 4 6.392 5.551 -4.228 13 HB3 LEU 4 3HB LEU 4 7.577 4.354 -4.745 14 HG LEU 4 HG LEU 4 5.785 6.019 -6.506 15 HD11 LEU 4 1HD1 LEU 4 7.643 7.228 -7.081 16 HD12 LEU 4 2HD1 LEU 4 8.757 5.925 -6.668 17 HD13 LEU 4 3HD1 LEU 4 7.999 6.876 -5.390 18 HD21 LEU 4 1HD2 LEU 4 5.975 3.770 -7.418 19 HD22 LEU 4 2HD2 LEU 4 7.731 3.841 -7.263 20 HD23 LEU 4 3HD2 LEU 4 6.901 4.918 -8.387 21 H LYS 5 H LYS 5 4.658 1.415 -4.154 22 HA LYS 5 HA LYS 5 6.902 -0.189 -4.122 23 HB2 LYS 5 2HB LYS 5 4.572 -0.778 -3.337 24 HB3 LYS 5 3HB LYS 5 4.173 -1.120 -5.015 25 HG2 LYS 5 2HG LYS 5 4.946 -3.174 -4.766 26 HG3 LYS 5 3HG LYS 5 6.550 -2.524 -4.419 27 HD2 LYS 5 2HD LYS 5 5.433 -2.139 -2.030 28 HD3 LYS 5 3HD LYS 5 4.446 -3.500 -2.568 29 HE2 LYS 5 2HE LYS 5 6.142 -4.681 -1.636 30 HE3 LYS 5 3HE LYS 5 6.856 -4.441 -3.230 31 HZ1 LYS 5 1HZ LYS 5 7.429 -2.948 -0.738 32 HZ2 LYS 5 2HZ LYS 5 7.909 -2.389 -2.262 33 HZ3 LYS 5 3HZ LYS 5 8.501 -3.862 -1.675 34 H SER 6 H SER 6 8.311 -0.711 -5.646 35 HA SER 6 HA SER 6 8.048 -0.080 -8.350 36 HB2 SER 6 2HB SER 6 10.077 -1.351 -8.699 37 HB3 SER 6 3HB SER 6 10.207 -0.502 -7.159 38 HG SER 6 HG SER 6 10.789 -2.853 -7.278 39 H ARG 7 H ARG 7 6.893 -2.786 -6.568 40 HA ARG 7 HA ARG 7 6.673 -4.625 -8.729 41 HB2 ARG 7 2HB ARG 7 6.629 -5.121 -6.210 42 HB3 ARG 7 3HB ARG 7 4.939 -4.637 -6.268 43 HG2 ARG 7 2HG ARG 7 5.191 -6.445 -8.349 44 HG3 ARG 7 3HG ARG 7 6.178 -7.126 -7.054 45 HD2 ARG 7 2HD ARG 7 4.034 -6.427 -5.626 46 HD3 ARG 7 3HD ARG 7 3.254 -6.674 -7.187 47 HE ARG 7 HE ARG 7 4.752 -8.906 -6.880 48 HH11 ARG 7 1HH1 ARG 7 2.407 -7.296 -4.872 49 HH12 ARG 7 2HH1 ARG 7 1.865 -8.755 -4.111 50 HH21 ARG 7 1HH2 ARG 7 4.047 -10.833 -5.885 51 HH22 ARG 7 2HH2 ARG 7 2.799 -10.767 -4.687 52 H ASP 8 H ASP 8 4.110 -2.887 -6.953 53 HA ASP 8 HA ASP 8 2.145 -3.375 -8.941 54 HB2 ASP 8 2HB ASP 8 2.306 -1.960 -6.382 55 HB3 ASP 8 3HB ASP 8 1.216 -1.195 -7.536 56 H TRP 9 H TRP 9 4.586 -0.974 -8.555 57 HA TRP 9 HA TRP 9 3.402 1.065 -10.142 58 HB2 TRP 9 2HB TRP 9 5.178 1.657 -8.637 59 HB3 TRP 9 3HB TRP 9 6.274 0.503 -9.391 60 HD1 TRP 9 HD1 TRP 9 8.039 1.744 -10.748 61 HE1 TRP 9 HE1 TRP 9 8.089 3.822 -12.266 62 HE3 TRP 9 HE3 TRP 9 3.152 3.184 -10.314 63 HZ2 TRP 9 HZ2 TRP 9 6.294 5.809 -13.162 64 HZ3 TRP 9 HZ3 TRP 9 2.400 5.184 -11.533 65 HH2 TRP 9 HH2 TRP 9 3.939 6.468 -12.927 66 H LYS 10 H LYS 10 6.138 -1.102 -10.899 67 HA LYS 10 HA LYS 10 6.115 -0.538 -13.664 68 HB2 LYS 10 2HB LYS 10 7.233 -2.918 -12.173 69 HB3 LYS 10 3HB LYS 10 7.571 -2.542 -13.857 70 HG2 LYS 10 2HG LYS 10 8.496 -0.342 -13.071 71 HG3 LYS 10 3HG LYS 10 8.361 -0.963 -11.425 72 HD2 LYS 10 2HD LYS 10 10.200 -2.213 -11.646 73 HD3 LYS 10 3HD LYS 10 9.679 -2.838 -13.213 74 HE2 LYS 10 2HE LYS 10 10.330 -0.358 -13.950 75 HE3 LYS 10 3HE LYS 10 11.404 -0.517 -12.562 76 HZ1 LYS 10 1HZ LYS 10 12.404 -1.215 -14.701 77 HZ2 LYS 10 2HZ LYS 10 11.279 -2.473 -14.790 78 HZ3 LYS 10 3HZ LYS 10 12.406 -2.435 -13.529 79 H MET 11 H MET 11 4.263 -2.696 -11.704 80 HA MET 11 HA MET 11 3.476 -4.487 -13.782 81 HB2 MET 11 2HB MET 11 3.367 -5.172 -11.451 82 HB3 MET 11 3HB MET 11 2.220 -3.888 -11.098 83 HG2 MET 11 2HG MET 11 0.541 -4.930 -12.444 84 HG3 MET 11 3HG MET 11 1.689 -6.136 -13.021 85 HE1 MET 11 1HE MET 11 2.878 -7.835 -11.488 86 HE2 MET 11 2HE MET 11 1.853 -8.767 -10.397 87 HE3 MET 11 3HE MET 11 1.382 -8.555 -12.083 88 H ALA 12 H ALA 12 1.555 -2.063 -11.997 89 HA ALA 12 HA ALA 12 -0.660 -2.051 -13.651 90 HB1 ALA 12 1HB ALA 12 -0.945 -0.923 -11.649 91 HB2 ALA 12 2HB ALA 12 0.536 0.015 -11.847 92 HB3 ALA 12 3HB ALA 12 -0.884 0.392 -12.823 93 H ILE 13 H ILE 13 2.312 -0.143 -13.913 94 HA ILE 13 HA ILE 13 1.484 1.433 -16.110 95 HB ILE 13 HB ILE 13 4.251 0.680 -15.171 96 HG12 ILE 13 2HG1 ILE 13 2.878 2.036 -13.611 97 HG13 ILE 13 3HG1 ILE 13 4.286 2.909 -14.205 98 HG21 ILE 13 1HG2 ILE 13 4.815 2.813 -16.547 99 HG22 ILE 13 2HG2 ILE 13 4.661 1.261 -17.367 100 HG23 ILE 13 3HG2 ILE 13 3.334 2.420 -17.419 101 HD11 ILE 13 1HD1 ILE 13 1.442 3.235 -15.127 102 HD12 ILE 13 2HD1 ILE 13 2.392 4.374 -14.171 103 HD13 ILE 13 3HD1 ILE 13 2.833 4.045 -15.847 104 H LYS 14 H LYS 14 3.098 -1.688 -15.866 105 HA LYS 14 HA LYS 14 3.763 -1.950 -18.602 106 HB2 LYS 14 2HB LYS 14 3.613 -3.752 -16.250 107 HB3 LYS 14 3HB LYS 14 3.546 -4.517 -17.833 108 HG2 LYS 14 2HG LYS 14 5.695 -2.548 -17.140 109 HG3 LYS 14 3HG LYS 14 5.829 -4.256 -16.717 110 HD2 LYS 14 2HD LYS 14 5.441 -4.801 -19.126 111 HD3 LYS 14 3HD LYS 14 5.529 -3.072 -19.475 112 HE2 LYS 14 2HE LYS 14 7.794 -2.973 -18.689 113 HE3 LYS 14 3HE LYS 14 7.717 -4.639 -18.117 114 HZ1 LYS 14 1HZ LYS 14 8.882 -4.351 -20.270 115 HZ2 LYS 14 2HZ LYS 14 7.421 -3.855 -20.963 116 HZ3 LYS 14 3HZ LYS 14 7.576 -5.423 -20.346 117 H ARG 15 H ARG 15 0.834 -2.478 -16.807 118 HA ARG 15 HA ARG 15 -0.455 -4.091 -18.787 119 HB2 ARG 15 2HB ARG 15 -1.511 -2.542 -16.420 120 HB3 ARG 15 3HB ARG 15 -2.528 -3.529 -17.462 121 HG2 ARG 15 2HG ARG 15 -0.160 -4.572 -15.925 122 HG3 ARG 15 3HG ARG 15 -1.833 -4.654 -15.367 123 HD2 ARG 15 2HD ARG 15 -2.431 -5.989 -17.315 124 HD3 ARG 15 3HD ARG 15 -0.776 -5.874 -17.916 125 HE ARG 15 HE ARG 15 -1.754 -7.617 -15.849 126 HH11 ARG 15 1HH1 ARG 15 1.042 -6.003 -17.153 127 HH12 ARG 15 2HH1 ARG 15 2.170 -7.130 -16.474 128 HH21 ARG 15 1HH2 ARG 15 -0.279 -9.107 -14.951 129 HH22 ARG 15 2HH2 ARG 15 1.418 -8.895 -15.224 130 H CYS 16 H CYS 16 -0.831 -0.694 -17.774 131 HA CYS 16 HA CYS 16 -2.673 -0.004 -19.792 132 HB2 CYS 16 2HB CYS 16 -2.319 2.266 -19.137 133 HB3 CYS 16 3HB CYS 16 -2.216 1.290 -17.677 134 HG CYS 16 HG CYS 16 0.605 2.201 -19.358 135 H SER 17 H SER 17 0.753 -0.382 -19.809 136 HA SER 17 HA SER 17 1.528 1.296 -21.881 137 HB2 SER 17 2HB SER 17 3.515 0.117 -21.916 138 HB3 SER 17 3HB SER 17 2.895 -0.356 -20.334 139 HG SER 17 HG SER 17 3.568 -2.177 -21.498 140 H ASN 18 H ASN 18 -0.303 -1.641 -21.964 141 HA ASN 18 HA ASN 18 -0.018 -1.873 -24.864 142 HB2 ASN 18 2HB ASN 18 -0.342 -3.752 -22.809 143 HB3 ASN 18 3HB ASN 18 -1.874 -3.752 -23.677 144 HD21 ASN 18 1HD2 ASN 18 1.561 -4.290 -23.923 145 HD22 ASN 18 2HD2 ASN 18 1.513 -5.190 -25.397 146 H VAL 19 H VAL 19 -1.456 0.354 -23.562 147 HA VAL 19 HA VAL 19 -4.116 -0.100 -24.755 148 HB VAL 19 HB VAL 19 -3.517 1.805 -22.491 149 HG11 VAL 19 1HG1 VAL 19 -6.085 0.851 -23.749 150 HG12 VAL 19 2HG1 VAL 19 -5.995 1.798 -22.263 151 HG13 VAL 19 3HG1 VAL 19 -5.422 2.485 -23.784 152 HG21 VAL 19 1HG2 VAL 19 -3.183 -0.515 -21.773 153 HG22 VAL 19 2HG2 VAL 19 -4.607 0.200 -21.017 154 HG23 VAL 19 3HG2 VAL 19 -4.794 -0.926 -22.361 155 H ALA 20 H ALA 20 -5.058 1.627 -25.894 156 HA ALA 20 HA ALA 20 -3.121 3.399 -27.129 157 HB1 ALA 20 1HB ALA 20 -5.014 2.052 -28.296 158 HB2 ALA 20 2HB ALA 20 -6.031 3.405 -27.804 159 HB3 ALA 20 3HB ALA 20 -4.636 3.685 -28.846 160 H VAL 21 H VAL 21 -3.903 5.696 -27.611 161 HA VAL 21 HA VAL 21 -4.338 7.012 -25.104 162 HB VAL 21 HB VAL 21 -2.853 8.051 -26.685 163 HG11 VAL 21 1HG1 VAL 21 -4.840 7.296 -28.574 164 HG12 VAL 21 2HG1 VAL 21 -4.596 9.041 -28.685 165 HG13 VAL 21 3HG1 VAL 21 -3.226 7.943 -28.869 166 HG21 VAL 21 1HG2 VAL 21 -5.160 9.905 -26.875 167 HG22 VAL 21 2HG2 VAL 21 -4.663 9.387 -25.264 168 HG23 VAL 21 3HG2 VAL 21 -3.511 10.200 -26.323 169 H GLY 22 H GLY 22 -6.302 6.178 -27.868 170 HA2 GLY 22 2HA GLY 22 -8.724 6.562 -26.473 171 HA3 GLY 22 3HA GLY 22 -8.436 7.947 -27.515 172 H VAL 23 H VAL 23 -10.552 7.045 -28.368 173 HA VAL 23 HA VAL 23 -10.240 4.736 -30.117 174 HB VAL 23 HB VAL 23 -12.312 4.923 -28.834 175 HG11 VAL 23 1HG1 VAL 23 -12.147 7.619 -29.415 176 HG12 VAL 23 2HG1 VAL 23 -13.517 7.066 -30.380 177 HG13 VAL 23 3HG1 VAL 23 -13.501 6.799 -28.637 178 HG21 VAL 23 1HG2 VAL 23 -13.863 4.491 -30.621 179 HG22 VAL 23 2HG2 VAL 23 -12.841 5.348 -31.773 180 HG23 VAL 23 3HG2 VAL 23 -12.290 3.830 -31.066 181 H GLY 24 H GLY 24 -10.430 8.215 -30.280 182 HA2 GLY 24 2HA GLY 24 -9.752 8.078 -33.120 183 HA3 GLY 24 3HA GLY 24 -11.202 8.972 -32.688 184 H GLY 25 H GLY 25 -10.290 10.894 -33.526 185 HA2 GLY 25 2HA GLY 25 -9.348 12.968 -33.162 186 HA3 GLY 25 3HA GLY 25 -8.840 12.406 -31.576 187 H LYS 26 H LYS 26 -6.783 11.645 -31.277 188 HA LYS 26 HA LYS 26 -4.983 11.923 -33.592 189 HB2 LYS 26 2HB LYS 26 -3.215 12.487 -32.010 190 HB3 LYS 26 3HB LYS 26 -4.587 13.570 -31.811 191 HG2 LYS 26 2HG LYS 26 -5.297 11.880 -29.960 192 HG3 LYS 26 3HG LYS 26 -3.595 11.417 -30.003 193 HD2 LYS 26 2HD LYS 26 -3.666 14.234 -29.982 194 HD3 LYS 26 3HD LYS 26 -4.821 13.690 -28.762 195 HE2 LYS 26 2HE LYS 26 -3.117 12.335 -27.706 196 HE3 LYS 26 3HE LYS 26 -1.963 12.746 -28.973 197 HZ1 LYS 26 1HZ LYS 26 -1.353 14.432 -27.691 198 HZ2 LYS 26 2HZ LYS 26 -2.642 14.195 -26.622 199 HZ3 LYS 26 3HZ LYS 26 -2.851 15.155 -28.000 200 H SER 27 H SER 27 -3.442 10.362 -33.995 201 HA SER 27 HA SER 27 -4.002 7.753 -32.849 202 HB2 SER 27 2HB SER 27 -3.697 8.123 -35.325 203 HB3 SER 27 3HB SER 27 -1.993 8.442 -35.002 204 HG SER 27 HG SER 27 -3.421 6.042 -34.505 205 H LYS 28 H LYS 28 -2.952 7.033 -31.132 206 HA LYS 28 HA LYS 28 -0.145 7.024 -30.899 207 HB2 LYS 28 2HB LYS 28 -1.281 9.451 -30.109 208 HB3 LYS 28 3HB LYS 28 -0.984 8.589 -28.605 209 HG2 LYS 28 2HG LYS 28 1.125 9.245 -28.708 210 HG3 LYS 28 3HG LYS 28 1.327 8.245 -30.148 211 HD2 LYS 28 2HD LYS 28 0.854 10.057 -31.590 212 HD3 LYS 28 3HD LYS 28 0.236 11.047 -30.267 213 HE2 LYS 28 2HE LYS 28 2.813 10.423 -29.481 214 HE3 LYS 28 3HE LYS 28 2.958 10.691 -31.217 215 HZ1 LYS 28 1HZ LYS 28 2.073 12.570 -29.127 216 HZ2 LYS 28 2HZ LYS 28 1.597 12.798 -30.734 217 HZ3 LYS 28 3HZ LYS 28 3.240 12.790 -30.331 218 H LYS 29 H LYS 29 0.491 6.406 -28.532 219 HA LYS 29 HA LYS 29 -1.619 4.706 -27.383 220 HB2 LYS 29 2HB LYS 29 0.035 2.949 -26.978 221 HB3 LYS 29 3HB LYS 29 -0.092 3.310 -28.696 222 HG2 LYS 29 2HG LYS 29 1.918 4.928 -28.150 223 HG3 LYS 29 3HG LYS 29 2.148 3.802 -26.811 224 HD2 LYS 29 2HD LYS 29 1.870 2.007 -28.725 225 HD3 LYS 29 3HD LYS 29 2.391 3.349 -29.746 226 HE2 LYS 29 2HE LYS 29 4.483 2.815 -29.205 227 HE3 LYS 29 3HE LYS 29 4.132 3.400 -27.581 228 HZ1 LYS 29 1HZ LYS 29 4.608 1.340 -26.932 229 HZ2 LYS 29 2HZ LYS 29 4.534 0.718 -28.503 230 HZ3 LYS 29 3HZ LYS 29 3.119 0.878 -27.590 231 H PHE 30 H PHE 30 -1.684 4.560 -25.173 232 HA PHE 30 HA PHE 30 -0.422 6.655 -23.705 233 HB2 PHE 30 2HB PHE 30 -2.550 4.755 -23.283 234 HB3 PHE 30 3HB PHE 30 -1.489 4.798 -21.879 235 HD1 PHE 30 HD1 PHE 30 -4.387 6.099 -23.120 236 HD2 PHE 30 HD2 PHE 30 -0.740 7.384 -21.344 237 HE1 PHE 30 HE1 PHE 30 -5.490 8.161 -22.356 238 HE2 PHE 30 HE2 PHE 30 -1.836 9.449 -20.576 239 HZ PHE 30 HZ PHE 30 -4.215 9.839 -21.081 240 H GLY 31 H GLY 31 1.751 6.490 -23.502 241 HA2 GLY 31 2HA GLY 31 2.888 3.928 -22.624 242 HA3 GLY 31 3HA GLY 31 3.792 5.276 -23.298 243 H GLU 32 H GLU 32 5.151 4.689 -21.364 244 HA GLU 32 HA GLU 32 4.270 5.196 -18.741 245 HB2 GLU 32 2HB GLU 32 6.687 5.370 -18.192 246 HB3 GLU 32 3HB GLU 32 6.286 3.932 -19.122 247 HG2 GLU 32 2HG GLU 32 7.050 5.111 -21.168 248 HG3 GLU 32 3HG GLU 32 7.574 6.450 -20.147 249 H GLY 33 H GLY 33 5.781 7.275 -21.171 250 HA2 GLY 33 2HA GLY 33 6.215 9.530 -19.566 251 HA3 GLY 33 3HA GLY 33 5.978 9.558 -21.307 252 H ASN 34 H ASN 34 3.397 8.691 -21.568 253 HA ASN 34 HA ASN 34 1.928 11.023 -21.028 254 HB2 ASN 34 2HB ASN 34 1.007 8.247 -21.796 255 HB3 ASN 34 3HB ASN 34 -0.051 9.653 -21.743 256 HD21 ASN 34 1HD2 ASN 34 -0.380 9.071 -24.010 257 HD22 ASN 34 2HD2 ASN 34 0.727 9.682 -25.189 258 H PHE 35 H PHE 35 1.641 7.774 -19.586 259 HA PHE 35 HA PHE 35 -0.298 8.405 -17.684 260 HB2 PHE 35 2HB PHE 35 1.434 6.186 -18.270 261 HB3 PHE 35 3HB PHE 35 1.395 6.460 -16.531 262 HD1 PHE 35 HD1 PHE 35 -1.253 6.874 -19.113 263 HD2 PHE 35 HD2 PHE 35 0.058 4.810 -15.630 264 HE1 PHE 35 HE1 PHE 35 -3.423 5.719 -18.985 265 HE2 PHE 35 HE2 PHE 35 -2.107 3.650 -15.497 266 HZ PHE 35 HZ PHE 35 -3.851 4.103 -17.177 267 H ARG 36 H ARG 36 3.222 8.636 -17.530 268 HA ARG 36 HA ARG 36 3.484 9.229 -14.811 269 HB2 ARG 36 2HB ARG 36 5.376 8.672 -16.297 270 HB3 ARG 36 3HB ARG 36 5.188 10.224 -17.101 271 HG2 ARG 36 2HG ARG 36 5.429 10.596 -14.264 272 HG3 ARG 36 3HG ARG 36 6.774 9.635 -14.882 273 HD2 ARG 36 2HD ARG 36 6.940 11.425 -16.717 274 HD3 ARG 36 3HD ARG 36 5.923 12.405 -15.661 275 HE ARG 36 HE ARG 36 8.149 11.370 -14.242 276 HH11 ARG 36 1HH1 ARG 36 7.248 13.797 -16.571 277 HH12 ARG 36 2HH1 ARG 36 8.536 14.873 -16.141 278 HH21 ARG 36 1HH2 ARG 36 9.848 12.778 -13.669 279 HH22 ARG 36 2HH2 ARG 36 10.015 14.292 -14.492 280 H TRP 37 H TRP 37 2.871 11.332 -17.584 281 HA TRP 37 HA TRP 37 3.071 13.779 -16.178 282 HB2 TRP 37 2HB TRP 37 3.236 13.925 -18.526 283 HB3 TRP 37 3HB TRP 37 1.770 12.980 -18.773 284 HD1 TRP 37 HD1 TRP 37 2.980 16.520 -18.195 285 HE1 TRP 37 HE1 TRP 37 0.992 18.140 -18.406 286 HE3 TRP 37 HE3 TRP 37 -0.828 13.114 -18.364 287 HZ2 TRP 37 HZ2 TRP 37 -1.819 17.994 -18.615 288 HZ3 TRP 37 HZ3 TRP 37 -3.138 13.937 -18.569 289 HH2 TRP 37 HH2 TRP 37 -3.621 16.326 -18.692 290 H ALA 38 H ALA 38 0.382 11.594 -16.840 291 HA ALA 38 HA ALA 38 -1.626 13.314 -15.767 292 HB1 ALA 38 1HB ALA 38 -2.728 10.834 -15.619 293 HB2 ALA 38 2HB ALA 38 -2.722 11.847 -17.063 294 HB3 ALA 38 3HB ALA 38 -1.496 10.596 -16.859 295 H ILE 39 H ILE 39 -0.280 10.240 -14.543 296 HA ILE 39 HA ILE 39 -1.445 10.252 -12.045 297 HB ILE 39 HB ILE 39 -0.167 8.350 -12.919 298 HG12 ILE 39 2HG1 ILE 39 1.419 8.516 -10.572 299 HG13 ILE 39 3HG1 ILE 39 -0.079 9.381 -10.245 300 HG21 ILE 39 1HG2 ILE 39 2.072 8.348 -13.329 301 HG22 ILE 39 2HG2 ILE 39 1.739 10.052 -13.631 302 HG23 ILE 39 3HG2 ILE 39 2.414 9.547 -12.083 303 HD11 ILE 39 1HD1 ILE 39 0.384 6.505 -10.749 304 HD12 ILE 39 2HD1 ILE 39 -0.723 7.302 -9.630 305 HD13 ILE 39 3HD1 ILE 39 -1.121 7.206 -11.345 306 H ARG 40 H ARG 40 1.391 11.995 -13.161 307 HA ARG 40 HA ARG 40 2.282 12.841 -10.601 308 HB2 ARG 40 2HB ARG 40 3.742 12.826 -12.582 309 HB3 ARG 40 3HB ARG 40 2.761 14.088 -13.313 310 HG2 ARG 40 2HG ARG 40 3.337 15.465 -11.224 311 HG3 ARG 40 3HG ARG 40 4.608 14.267 -10.966 312 HD2 ARG 40 2HD ARG 40 5.682 15.933 -12.182 313 HD3 ARG 40 3HD ARG 40 5.253 14.746 -13.413 314 HE ARG 40 HE ARG 40 3.255 16.766 -13.093 315 HH11 ARG 40 1HH1 ARG 40 6.309 16.028 -14.593 316 HH12 ARG 40 2HH1 ARG 40 6.097 17.161 -15.885 317 HH21 ARG 40 1HH2 ARG 40 2.965 18.263 -14.789 318 HH22 ARG 40 2HH2 ARG 40 4.194 18.434 -15.995 319 H MET 41 H MET 41 0.710 14.718 -13.202 320 HA MET 41 HA MET 41 0.200 17.012 -11.737 321 HB2 MET 41 2HB MET 41 -0.070 16.797 -14.194 322 HB3 MET 41 3HB MET 41 -1.532 15.856 -13.929 323 HG2 MET 41 2HG MET 41 -2.483 17.824 -12.723 324 HG3 MET 41 3HG MET 41 -1.068 18.743 -13.235 325 HE1 MET 41 1HE MET 41 -2.193 20.511 -14.282 326 HE2 MET 41 2HE MET 41 -1.145 20.126 -15.646 327 HE3 MET 41 3HE MET 41 -2.850 20.481 -15.920 328 H ALA 42 H ALA 42 -1.764 14.087 -12.064 329 HA ALA 42 HA ALA 42 -4.029 14.994 -10.674 330 HB1 ALA 42 1HB ALA 42 -2.906 12.265 -11.204 331 HB2 ALA 42 2HB ALA 42 -4.363 12.488 -10.235 332 HB3 ALA 42 3HB ALA 42 -4.326 13.039 -11.910 333 H ASN 43 H ASN 43 -1.057 13.443 -9.550 334 HA ASN 43 HA ASN 43 -1.850 13.070 -6.871 335 HB2 ASN 43 2HB ASN 43 0.497 12.655 -8.433 336 HB3 ASN 43 3HB ASN 43 0.961 13.549 -6.988 337 HD21 ASN 43 1HD2 ASN 43 2.111 11.731 -6.260 338 HD22 ASN 43 2HD2 ASN 43 1.298 10.374 -5.567 339 H VAL 44 H VAL 44 0.249 15.587 -8.286 340 HA VAL 44 HA VAL 44 0.463 17.151 -5.973 341 HB VAL 44 HB VAL 44 0.602 18.065 -8.850 342 HG11 VAL 44 1HG1 VAL 44 0.842 20.116 -8.030 343 HG12 VAL 44 2HG1 VAL 44 0.751 19.508 -6.376 344 HG13 VAL 44 3HG1 VAL 44 2.305 19.577 -7.207 345 HG21 VAL 44 1HG2 VAL 44 2.879 17.321 -7.026 346 HG22 VAL 44 2HG2 VAL 44 2.151 16.198 -8.174 347 HG23 VAL 44 3HG2 VAL 44 2.942 17.662 -8.755 348 H SER 45 H SER 45 -1.860 17.260 -8.640 349 HA SER 45 HA SER 45 -3.197 19.605 -7.839 350 HB2 SER 45 2HB SER 45 -3.442 18.654 -10.090 351 HB3 SER 45 3HB SER 45 -4.257 17.243 -9.414 352 HG SER 45 HG SER 45 -6.037 18.354 -9.286 353 H THR 46 H THR 46 -3.287 16.375 -6.655 354 HA THR 46 HA THR 46 -5.689 16.975 -5.063 355 HB THR 46 HB THR 46 -5.883 14.552 -4.685 356 HG1 THR 46 HG1 THR 46 -3.628 14.059 -4.952 357 HG21 THR 46 1HG2 THR 46 -5.901 15.723 -7.414 358 HG22 THR 46 2HG2 THR 46 -7.225 15.050 -6.464 359 HG23 THR 46 3HG2 THR 46 -6.088 13.975 -7.276 360 H GLY 47 H GLY 47 -2.959 17.907 -4.481 361 HA2 GLY 47 2HA GLY 47 -1.505 18.060 -2.708 362 HA3 GLY 47 3HA GLY 47 -2.896 17.608 -1.734 363 H ARG 48 H ARG 48 -0.600 16.029 -3.964 364 HA ARG 48 HA ARG 48 -0.116 14.001 -1.902 365 HB2 ARG 48 2HB ARG 48 -1.831 13.271 -3.684 366 HB3 ARG 48 3HB ARG 48 -0.460 13.215 -4.785 367 HG2 ARG 48 2HG ARG 48 -0.173 11.120 -4.111 368 HG3 ARG 48 3HG ARG 48 0.417 11.794 -2.590 369 HD2 ARG 48 2HD ARG 48 -2.335 11.873 -2.326 370 HD3 ARG 48 3HD ARG 48 -2.039 10.350 -3.165 371 HE ARG 48 HE ARG 48 -1.345 11.003 -0.446 372 HH11 ARG 48 1HH1 ARG 48 -0.681 8.943 -3.173 373 HH12 ARG 48 2HH1 ARG 48 -0.006 7.669 -2.212 374 HH21 ARG 48 1HH2 ARG 48 -0.458 9.334 0.829 375 HH22 ARG 48 2HH2 ARG 48 0.120 7.893 0.064 376 H GLU 49 H GLU 49 1.978 13.531 -1.649 377 HA GLU 49 HA GLU 49 4.014 14.993 -2.805 378 HB2 GLU 49 2HB GLU 49 3.862 12.493 -1.227 379 HB3 GLU 49 3HB GLU 49 5.353 12.747 -2.124 380 HG2 GLU 49 2HG GLU 49 5.915 13.761 -0.179 381 HG3 GLU 49 3HG GLU 49 5.201 15.136 -1.019 382 HA PRO 50 HA PRO 50 4.909 13.305 -6.753 383 HB2 PRO 50 2HB PRO 50 7.622 13.340 -6.806 384 HB3 PRO 50 3HB PRO 50 6.640 14.807 -6.899 385 HG2 PRO 50 2HG PRO 50 8.047 13.614 -4.540 386 HG3 PRO 50 3HG PRO 50 7.949 15.313 -5.044 387 HD2 PRO 50 2HD PRO 50 6.407 14.289 -3.067 388 HD3 PRO 50 3HD PRO 50 5.849 15.593 -4.136 389 H GLY 51 H GLY 51 7.097 11.932 -4.283 390 HA2 GLY 51 2HA GLY 51 7.243 9.427 -5.754 391 HA3 GLY 51 3HA GLY 51 8.117 9.828 -4.283 392 H ASP 52 H ASP 52 4.645 9.788 -5.066 393 HA ASP 52 HA ASP 52 4.277 7.727 -3.003 394 HB2 ASP 52 2HB ASP 52 3.713 10.239 -2.373 395 HB3 ASP 52 3HB ASP 52 2.229 9.884 -3.254 396 H ILE 53 H ILE 53 4.004 6.192 -4.651 397 HA ILE 53 HA ILE 53 1.444 6.424 -6.088 398 HB ILE 53 HB ILE 53 3.950 5.113 -7.149 399 HG12 ILE 53 2HG1 ILE 53 2.551 7.662 -7.989 400 HG13 ILE 53 3HG1 ILE 53 4.109 7.560 -7.174 401 HG21 ILE 53 1HG2 ILE 53 1.962 5.570 -9.132 402 HG22 ILE 53 2HG2 ILE 53 2.644 4.040 -8.583 403 HG23 ILE 53 3HG2 ILE 53 1.222 4.709 -7.783 404 HD11 ILE 53 1HD1 ILE 53 4.793 7.838 -9.323 405 HD12 ILE 53 2HD1 ILE 53 4.712 6.076 -9.263 406 HD13 ILE 53 3HD1 ILE 53 3.398 6.995 -9.996 407 HA PRO 54 HA PRO 54 1.458 2.630 -3.416 408 HB2 PRO 54 2HB PRO 54 -1.062 3.003 -2.478 409 HB3 PRO 54 3HB PRO 54 0.360 3.736 -1.727 410 HG2 PRO 54 2HG PRO 54 -1.614 4.945 -3.624 411 HG3 PRO 54 3HG PRO 54 -0.897 5.643 -2.160 412 HD2 PRO 54 2HD PRO 54 -0.015 6.251 -4.647 413 HD3 PRO 54 3HD PRO 54 1.062 6.205 -3.236 414 H GLU 55 H GLU 55 -0.714 1.127 -3.244 415 HA GLU 55 HA GLU 55 -1.953 0.932 -5.884 416 HB2 GLU 55 2HB GLU 55 -1.472 -1.551 -5.883 417 HB3 GLU 55 3HB GLU 55 -0.090 -0.507 -6.186 418 HG2 GLU 55 2HG GLU 55 1.005 -1.438 -4.513 419 HG3 GLU 55 3HG GLU 55 -0.264 -0.953 -3.389 420 H THR 56 H THR 56 -3.855 1.580 -4.780 421 HA THR 56 HA THR 56 -5.255 -0.647 -3.547 422 HB THR 56 HB THR 56 -6.028 0.630 -1.618 423 HG1 THR 56 HG1 THR 56 -4.905 2.664 -1.187 424 HG21 THR 56 1HG2 THR 56 -4.010 0.596 -0.311 425 HG22 THR 56 2HG2 THR 56 -3.015 0.733 -1.761 426 HG23 THR 56 3HG2 THR 56 -3.946 -0.736 -1.464 427 H LEU 57 H LEU 57 -7.484 -0.535 -3.757 428 HA LEU 57 HA LEU 57 -8.487 0.969 -5.910 429 HB2 LEU 57 2HB LEU 57 -9.389 -1.204 -5.129 430 HB3 LEU 57 3HB LEU 57 -10.049 -0.384 -3.716 431 HG LEU 57 HG LEU 57 -10.930 0.853 -6.186 432 HD11 LEU 57 1HD1 LEU 57 -12.437 -1.018 -6.833 433 HD12 LEU 57 2HD1 LEU 57 -11.503 -2.076 -5.776 434 HD13 LEU 57 3HD1 LEU 57 -10.733 -1.319 -7.171 435 HD21 LEU 57 1HD2 LEU 57 -11.905 1.175 -3.935 436 HD22 LEU 57 2HD2 LEU 57 -12.449 -0.502 -3.961 437 HD23 LEU 57 3HD2 LEU 57 -13.089 0.650 -5.133 438 H ASP 58 H ASP 58 -8.022 1.781 -2.640 439 HA ASP 58 HA ASP 58 -10.101 3.772 -2.489 440 HB2 ASP 58 2HB ASP 58 -8.775 2.408 -0.587 441 HB3 ASP 58 3HB ASP 58 -7.804 3.878 -0.612 442 H GLN 59 H GLN 59 -6.535 3.932 -2.479 443 HA GLN 59 HA GLN 59 -6.336 6.702 -2.756 444 HB2 GLN 59 2HB GLN 59 -4.051 6.375 -3.207 445 HB3 GLN 59 3HB GLN 59 -4.502 5.020 -2.180 446 HG2 GLN 59 2HG GLN 59 -3.408 3.824 -3.726 447 HG3 GLN 59 3HG GLN 59 -4.936 3.933 -4.597 448 HE21 GLN 59 1HE2 GLN 59 -2.158 3.665 -5.553 449 HE22 GLN 59 2HE2 GLN 59 -1.919 4.981 -6.646 450 H LEU 60 H LEU 60 -6.948 4.213 -5.107 451 HA LEU 60 HA LEU 60 -6.362 5.826 -7.402 452 HB2 LEU 60 2HB LEU 60 -7.350 3.121 -6.861 453 HB3 LEU 60 3HB LEU 60 -8.022 3.860 -8.313 454 HG LEU 60 HG LEU 60 -6.082 2.477 -8.831 455 HD11 LEU 60 1HD1 LEU 60 -5.378 3.880 -10.431 456 HD12 LEU 60 2HD1 LEU 60 -4.916 5.130 -9.276 457 HD13 LEU 60 3HD1 LEU 60 -6.600 4.970 -9.773 458 HD21 LEU 60 1HD2 LEU 60 -4.179 4.333 -7.555 459 HD22 LEU 60 2HD2 LEU 60 -4.085 2.587 -7.784 460 HD23 LEU 60 3HD2 LEU 60 -5.055 3.254 -6.470 461 H ARG 61 H ARG 61 -9.414 4.575 -6.037 462 HA ARG 61 HA ARG 61 -11.099 6.080 -7.712 463 HB2 ARG 61 2HB ARG 61 -11.834 4.093 -6.439 464 HB3 ARG 61 3HB ARG 61 -11.675 5.008 -4.945 465 HG2 ARG 61 2HG ARG 61 -13.338 6.414 -6.826 466 HG3 ARG 61 3HG ARG 61 -13.934 4.775 -6.557 467 HD2 ARG 61 2HD ARG 61 -14.982 5.867 -4.844 468 HD3 ARG 61 3HD ARG 61 -13.490 5.390 -4.036 469 HE ARG 61 HE ARG 61 -13.204 7.942 -5.228 470 HH11 ARG 61 1HH1 ARG 61 -14.690 6.324 -2.527 471 HH12 ARG 61 2HH1 ARG 61 -14.676 7.727 -1.510 472 HH21 ARG 61 1HH2 ARG 61 -13.179 9.796 -3.899 473 HH22 ARG 61 2HH2 ARG 61 -13.817 9.701 -2.292 474 H LEU 62 H LEU 62 -9.373 6.890 -4.824 475 HA LEU 62 HA LEU 62 -10.935 9.158 -4.090 476 HB2 LEU 62 2HB LEU 62 -9.598 8.140 -2.415 477 HB3 LEU 62 3HB LEU 62 -8.144 8.272 -3.404 478 HG LEU 62 HG LEU 62 -8.183 10.710 -3.115 479 HD11 LEU 62 1HD1 LEU 62 -10.678 10.086 -1.580 480 HD12 LEU 62 2HD1 LEU 62 -10.412 11.305 -2.826 481 HD13 LEU 62 3HD1 LEU 62 -9.721 11.523 -1.219 482 HD21 LEU 62 1HD2 LEU 62 -6.802 9.592 -1.586 483 HD22 LEU 62 2HD2 LEU 62 -8.174 8.968 -0.669 484 HD23 LEU 62 3HD2 LEU 62 -7.773 10.685 -0.599 485 H VAL 63 H VAL 63 -7.715 8.882 -5.603 486 HA VAL 63 HA VAL 63 -7.320 11.574 -6.153 487 HB VAL 63 HB VAL 63 -6.383 9.200 -7.769 488 HG11 VAL 63 1HG1 VAL 63 -4.619 10.702 -8.581 489 HG12 VAL 63 2HG1 VAL 63 -6.226 11.251 -9.063 490 HG13 VAL 63 3HG1 VAL 63 -5.383 12.046 -7.732 491 HG21 VAL 63 1HG2 VAL 63 -4.689 8.921 -6.305 492 HG22 VAL 63 2HG2 VAL 63 -4.543 10.649 -5.978 493 HG23 VAL 63 3HG2 VAL 63 -5.802 9.704 -5.183 494 H ILE 64 H ILE 64 -9.059 9.127 -8.001 495 HA ILE 64 HA ILE 64 -9.472 10.663 -10.332 496 HB ILE 64 HB ILE 64 -11.161 8.425 -9.213 497 HG12 ILE 64 2HG1 ILE 64 -9.218 8.179 -11.484 498 HG13 ILE 64 3HG1 ILE 64 -8.640 8.091 -9.824 499 HG21 ILE 64 1HG2 ILE 64 -12.535 9.480 -10.771 500 HG22 ILE 64 2HG2 ILE 64 -11.188 9.860 -11.842 501 HG23 ILE 64 3HG2 ILE 64 -11.761 8.198 -11.702 502 HD11 ILE 64 1HD1 ILE 64 -10.015 6.182 -9.388 503 HD12 ILE 64 2HD1 ILE 64 -10.786 6.323 -10.968 504 HD13 ILE 64 3HD1 ILE 64 -9.081 5.888 -10.854 505 H CYS 65 H CYS 65 -11.532 10.113 -7.485 506 HA CYS 65 HA CYS 65 -13.700 11.678 -8.313 507 HB2 CYS 65 2HB CYS 65 -12.770 10.471 -5.806 508 HB3 CYS 65 3HB CYS 65 -13.717 11.937 -5.576 509 HG CYS 65 HG CYS 65 -14.710 9.026 -7.057 510 H ASP 66 H ASP 66 -10.948 12.536 -6.225 511 HA ASP 66 HA ASP 66 -11.639 15.194 -5.759 512 HB2 ASP 66 2HB ASP 66 -8.924 13.878 -5.928 513 HB3 ASP 66 3HB ASP 66 -9.171 15.532 -5.375 514 H LEU 67 H LEU 67 -9.616 13.816 -8.336 515 HA LEU 67 HA LEU 67 -8.924 16.206 -9.597 516 HB2 LEU 67 2HB LEU 67 -8.157 13.739 -9.985 517 HB3 LEU 67 3HB LEU 67 -9.452 13.730 -11.181 518 HG LEU 67 HG LEU 67 -7.267 14.171 -12.192 519 HD11 LEU 67 1HD1 LEU 67 -9.560 15.327 -12.835 520 HD12 LEU 67 2HD1 LEU 67 -8.055 15.714 -13.669 521 HD13 LEU 67 3HD1 LEU 67 -8.662 16.782 -12.404 522 HD21 LEU 67 1HD2 LEU 67 -6.345 15.329 -10.154 523 HD22 LEU 67 2HD2 LEU 67 -7.243 16.760 -10.658 524 HD23 LEU 67 3HD2 LEU 67 -5.981 16.098 -11.698 525 H GLN 68 H GLN 68 -11.783 14.174 -9.933 526 HA GLN 68 HA GLN 68 -12.895 15.415 -12.190 527 HB2 GLN 68 2HB GLN 68 -13.581 13.249 -10.856 528 HB3 GLN 68 3HB GLN 68 -14.650 14.361 -10.011 529 HG2 GLN 68 2HG GLN 68 -15.296 15.048 -12.478 530 HG3 GLN 68 3HG GLN 68 -14.725 13.417 -12.820 531 HE21 GLN 68 1HE2 GLN 68 -15.868 11.664 -12.051 532 HE22 GLN 68 2HE2 GLN 68 -17.459 11.802 -11.394 533 H GLU 69 H GLU 69 -13.330 16.075 -8.729 534 HA GLU 69 HA GLU 69 -15.248 18.091 -8.958 535 HB2 GLU 69 2HB GLU 69 -13.360 17.169 -6.903 536 HB3 GLU 69 3HB GLU 69 -13.799 18.866 -6.770 537 HG2 GLU 69 2HG GLU 69 -16.153 18.275 -6.696 538 HG3 GLU 69 3HG GLU 69 -15.742 16.571 -6.884 539 H ARG 70 H ARG 70 -11.704 18.334 -8.845 540 HA ARG 70 HA ARG 70 -11.649 21.162 -9.121 541 HB2 ARG 70 2HB ARG 70 -9.813 19.514 -8.267 542 HB3 ARG 70 3HB ARG 70 -9.378 19.396 -9.967 543 HG2 ARG 70 2HG ARG 70 -8.885 21.724 -10.082 544 HG3 ARG 70 3HG ARG 70 -9.556 22.000 -8.473 545 HD2 ARG 70 2HD ARG 70 -7.668 21.356 -7.456 546 HD3 ARG 70 3HD ARG 70 -7.462 19.969 -8.524 547 HE ARG 70 HE ARG 70 -5.955 21.196 -9.709 548 HH11 ARG 70 1HH1 ARG 70 -8.035 23.384 -7.974 549 HH12 ARG 70 2HH1 ARG 70 -7.170 24.802 -8.466 550 HH21 ARG 70 1HH2 ARG 70 -4.808 23.057 -10.363 551 HH22 ARG 70 2HH2 ARG 70 -5.335 24.615 -9.824 552 H ARG 71 H ARG 71 -11.792 18.508 -11.367 553 HA ARG 71 HA ARG 71 -10.890 19.820 -13.683 554 HB2 ARG 71 2HB ARG 71 -11.084 17.443 -13.717 555 HB3 ARG 71 3HB ARG 71 -12.787 17.509 -13.284 556 HG2 ARG 71 2HG ARG 71 -12.191 18.950 -15.739 557 HG3 ARG 71 3HG ARG 71 -11.767 17.239 -15.818 558 HD2 ARG 71 2HD ARG 71 -14.171 17.026 -14.672 559 HD3 ARG 71 3HD ARG 71 -14.415 18.537 -15.548 560 HE ARG 71 HE ARG 71 -13.288 16.445 -17.161 561 HH11 ARG 71 1HH1 ARG 71 -16.235 17.831 -15.930 562 HH12 ARG 71 2HH1 ARG 71 -17.219 17.202 -17.210 563 HH21 ARG 71 1HH2 ARG 71 -14.574 15.611 -18.851 564 HH22 ARG 71 2HH2 ARG 71 -16.273 15.939 -18.870 565 H GLU 72 H GLU 72 -14.131 19.495 -12.281 566 HA GLU 72 HA GLU 72 -15.436 20.922 -14.375 567 HB2 GLU 72 2HB GLU 72 -16.207 19.918 -11.673 568 HB3 GLU 72 3HB GLU 72 -17.228 21.130 -12.435 569 HG2 GLU 72 2HG GLU 72 -16.570 19.009 -14.277 570 HG3 GLU 72 3HG GLU 72 -17.319 18.382 -12.810 571 H LYS 73 H LYS 73 -14.584 21.795 -11.028 572 HA LYS 73 HA LYS 73 -15.452 24.435 -11.085 573 HB2 LYS 73 2HB LYS 73 -14.021 22.779 -9.308 574 HB3 LYS 73 3HB LYS 73 -13.031 24.214 -9.540 575 HG2 LYS 73 2HG LYS 73 -15.547 25.257 -9.180 576 HG3 LYS 73 3HG LYS 73 -15.521 23.878 -8.078 577 HD2 LYS 73 2HD LYS 73 -13.215 24.807 -7.357 578 HD3 LYS 73 3HD LYS 73 -13.760 26.302 -8.120 579 HE2 LYS 73 2HE LYS 73 -14.873 26.804 -6.266 580 HE3 LYS 73 3HE LYS 73 -15.890 25.387 -6.522 581 HZ1 LYS 73 1HZ LYS 73 -14.160 25.813 -4.433 582 HZ2 LYS 73 2HZ LYS 73 -13.378 24.667 -5.399 583 HZ3 LYS 73 3HZ LYS 73 -14.937 24.361 -4.818 584 H PHE 74 H PHE 74 -12.658 22.976 -12.510 585 HA PHE 74 HA PHE 74 -11.416 25.569 -13.029 586 HB2 PHE 74 2HB PHE 74 -9.893 23.847 -12.314 587 HB3 PHE 74 3HB PHE 74 -10.488 22.740 -13.547 588 HD1 PHE 74 HD1 PHE 74 -8.837 22.330 -15.085 589 HD2 PHE 74 HD2 PHE 74 -9.374 26.300 -13.648 590 HE1 PHE 74 HE1 PHE 74 -7.097 23.122 -16.633 591 HE2 PHE 74 HE2 PHE 74 -7.636 27.098 -15.195 592 HZ PHE 74 HZ PHE 74 -6.495 25.510 -16.690 593 H GLY 75 H GLY 75 -13.305 23.126 -14.584 594 HA2 GLY 75 2HA GLY 75 -14.557 23.740 -16.562 595 HA3 GLY 75 3HA GLY 75 -13.171 24.687 -17.082 596 H SER 76 H SER 76 -14.288 22.976 -18.852 597 HA SER 76 HA SER 76 -12.926 20.430 -18.799 598 HB2 SER 76 2HB SER 76 -15.061 21.674 -20.364 599 HB3 SER 76 3HB SER 76 -13.952 20.723 -21.351 600 HG SER 76 HG SER 76 -15.201 19.783 -18.983 601 H SER 77 H SER 77 -11.227 19.784 -20.072 602 HA SER 77 HA SER 77 -10.112 21.445 -22.120 603 HB2 SER 77 2HB SER 77 -8.419 22.482 -21.044 604 HB3 SER 77 3HB SER 77 -9.344 22.160 -19.577 605 HG SER 77 HG SER 77 -6.988 21.413 -19.851 606 H LYS 78 H LYS 78 -8.493 20.402 -23.315 607 HA LYS 78 HA LYS 78 -8.673 17.640 -23.521 608 HB2 LYS 78 2HB LYS 78 -6.731 17.770 -25.001 609 HB3 LYS 78 3HB LYS 78 -7.857 19.080 -25.332 610 HG2 LYS 78 2HG LYS 78 -6.398 20.525 -23.852 611 HG3 LYS 78 3HG LYS 78 -5.212 19.218 -23.920 612 HD2 LYS 78 2HD LYS 78 -5.924 19.583 -26.564 613 HD3 LYS 78 3HD LYS 78 -5.895 21.225 -25.914 614 HE2 LYS 78 2HE LYS 78 -3.651 19.308 -25.386 615 HE3 LYS 78 3HE LYS 78 -3.720 20.233 -26.885 616 HZ1 LYS 78 1HZ LYS 78 -3.618 22.255 -25.691 617 HZ2 LYS 78 2HZ LYS 78 -2.401 21.268 -25.054 618 HZ3 LYS 78 3HZ LYS 78 -3.845 21.486 -24.201 619 H GLU 79 H GLU 79 -6.476 19.623 -21.638 620 HA GLU 79 HA GLU 79 -4.685 17.521 -20.943 621 HB2 GLU 79 2HB GLU 79 -5.218 20.184 -19.619 622 HB3 GLU 79 3HB GLU 79 -3.902 19.103 -19.185 623 HG2 GLU 79 2HG GLU 79 -4.161 19.971 -22.016 624 HG3 GLU 79 3HG GLU 79 -3.533 21.111 -20.828 625 H ILE 80 H ILE 80 -7.013 19.286 -18.893 626 HA ILE 80 HA ILE 80 -6.948 17.587 -16.713 627 HB ILE 80 HB ILE 80 -8.089 19.807 -16.787 628 HG12 ILE 80 2HG1 ILE 80 -10.026 19.085 -15.328 629 HG13 ILE 80 3HG1 ILE 80 -9.611 17.422 -15.727 630 HG21 ILE 80 1HG2 ILE 80 -9.308 19.535 -18.867 631 HG22 ILE 80 2HG2 ILE 80 -10.276 18.246 -18.153 632 HG23 ILE 80 3HG2 ILE 80 -10.421 19.896 -17.549 633 HD11 ILE 80 1HD1 ILE 80 -7.548 19.246 -14.578 634 HD12 ILE 80 2HD1 ILE 80 -8.737 18.465 -13.535 635 HD13 ILE 80 3HD1 ILE 80 -7.649 17.486 -14.518 636 H ASP 81 H ASP 81 -8.610 17.219 -19.754 637 HA ASP 81 HA ASP 81 -10.400 15.167 -18.942 638 HB2 ASP 81 2HB ASP 81 -10.683 16.566 -20.993 639 HB3 ASP 81 3HB ASP 81 -9.330 15.702 -21.719 640 H MET 82 H MET 82 -7.258 15.108 -20.608 641 HA MET 82 HA MET 82 -7.095 12.299 -20.819 642 HB2 MET 82 2HB MET 82 -5.719 13.741 -22.202 643 HB3 MET 82 3HB MET 82 -4.918 14.396 -20.780 644 HG2 MET 82 2HG MET 82 -4.085 12.079 -20.304 645 HG3 MET 82 3HG MET 82 -4.714 11.609 -21.883 646 HE1 MET 82 1HE MET 82 -3.475 14.084 -24.088 647 HE2 MET 82 2HE MET 82 -2.507 12.645 -24.411 648 HE3 MET 82 3HE MET 82 -4.196 12.482 -23.928 649 H ALA 83 H ALA 83 -6.371 14.523 -18.245 650 HA ALA 83 HA ALA 83 -4.705 12.817 -16.710 651 HB1 ALA 83 1HB ALA 83 -5.244 14.364 -14.843 652 HB2 ALA 83 2HB ALA 83 -4.684 15.183 -16.302 653 HB3 ALA 83 3HB ALA 83 -6.402 15.173 -15.900 654 H ILE 84 H ILE 84 -8.109 13.755 -16.171 655 HA ILE 84 HA ILE 84 -8.672 11.969 -14.134 656 HB ILE 84 HB ILE 84 -10.239 13.708 -14.674 657 HG12 ILE 84 2HG1 ILE 84 -11.856 11.335 -15.449 658 HG13 ILE 84 3HG1 ILE 84 -10.959 11.235 -13.937 659 HG21 ILE 84 1HG2 ILE 84 -9.804 13.710 -17.117 660 HG22 ILE 84 2HG2 ILE 84 -10.804 12.266 -17.259 661 HG23 ILE 84 3HG2 ILE 84 -11.517 13.782 -16.709 662 HD11 ILE 84 1HD1 ILE 84 -12.776 13.535 -14.561 663 HD12 ILE 84 2HD1 ILE 84 -13.352 12.046 -13.812 664 HD13 ILE 84 3HD1 ILE 84 -12.135 13.029 -12.999 665 H VAL 85 H VAL 85 -8.848 11.483 -17.633 666 HA VAL 85 HA VAL 85 -10.022 8.926 -17.587 667 HB VAL 85 HB VAL 85 -8.179 10.152 -19.643 668 HG11 VAL 85 1HG1 VAL 85 -9.868 7.661 -19.727 669 HG12 VAL 85 2HG1 VAL 85 -9.253 8.465 -21.174 670 HG13 VAL 85 3HG1 VAL 85 -8.130 7.803 -19.985 671 HG21 VAL 85 1HG2 VAL 85 -9.942 11.258 -20.456 672 HG22 VAL 85 2HG2 VAL 85 -10.998 9.853 -20.305 673 HG23 VAL 85 3HG2 VAL 85 -10.728 10.907 -18.917 674 H THR 86 H THR 86 -6.664 9.989 -17.431 675 HA THR 86 HA THR 86 -5.450 7.468 -17.722 676 HB THR 86 HB THR 86 -4.459 9.923 -16.261 677 HG1 THR 86 HG1 THR 86 -3.475 9.029 -18.735 678 HG21 THR 86 1HG2 THR 86 -2.776 8.663 -15.517 679 HG22 THR 86 2HG2 THR 86 -2.302 8.392 -17.194 680 HG23 THR 86 3HG2 THR 86 -3.382 7.255 -16.388 681 H LEU 87 H LEU 87 -6.332 9.296 -14.799 682 HA LEU 87 HA LEU 87 -5.404 7.500 -12.895 683 HB2 LEU 87 2HB LEU 87 -7.870 9.224 -12.717 684 HB3 LEU 87 3HB LEU 87 -6.988 8.528 -11.360 685 HG LEU 87 HG LEU 87 -5.782 10.530 -13.260 686 HD11 LEU 87 1HD1 LEU 87 -6.148 11.925 -10.998 687 HD12 LEU 87 2HD1 LEU 87 -7.584 10.902 -10.956 688 HD13 LEU 87 3HD1 LEU 87 -7.284 11.943 -12.347 689 HD21 LEU 87 1HD2 LEU 87 -3.907 10.152 -12.140 690 HD22 LEU 87 2HD2 LEU 87 -4.718 8.880 -11.226 691 HD23 LEU 87 3HD2 LEU 87 -4.712 10.537 -10.619 692 H LYS 88 H LYS 88 -8.610 7.672 -14.420 693 HA LYS 88 HA LYS 88 -9.798 5.549 -13.050 694 HB2 LYS 88 2HB LYS 88 -10.312 6.394 -15.908 695 HB3 LYS 88 3HB LYS 88 -11.403 5.468 -14.885 696 HG2 LYS 88 2HG LYS 88 -10.793 7.815 -13.467 697 HG3 LYS 88 3HG LYS 88 -11.118 8.302 -15.132 698 HD2 LYS 88 2HD LYS 88 -13.117 6.506 -14.696 699 HD3 LYS 88 3HD LYS 88 -12.929 7.215 -13.090 700 HE2 LYS 88 2HE LYS 88 -12.844 9.308 -15.017 701 HE3 LYS 88 3HE LYS 88 -14.246 8.295 -15.358 702 HZ1 LYS 88 1HZ LYS 88 -13.611 9.767 -12.873 703 HZ2 LYS 88 2HZ LYS 88 -14.738 8.506 -12.893 704 HZ3 LYS 88 3HZ LYS 88 -14.995 9.883 -13.840 705 H VAL 89 H VAL 89 -8.133 5.538 -16.199 706 HA VAL 89 HA VAL 89 -8.348 2.757 -16.626 707 HB VAL 89 HB VAL 89 -6.229 4.616 -17.711 708 HG11 VAL 89 1HG1 VAL 89 -6.977 1.810 -18.229 709 HG12 VAL 89 2HG1 VAL 89 -6.666 2.808 -19.652 710 HG13 VAL 89 3HG1 VAL 89 -5.425 2.625 -18.412 711 HG21 VAL 89 1HG2 VAL 89 -9.028 4.658 -18.108 712 HG22 VAL 89 2HG2 VAL 89 -7.793 5.598 -18.945 713 HG23 VAL 89 3HG2 VAL 89 -8.296 4.035 -19.586 714 H PHE 90 H PHE 90 -6.264 4.637 -14.640 715 HA PHE 90 HA PHE 90 -4.083 2.819 -14.497 716 HB2 PHE 90 2HB PHE 90 -4.431 5.378 -13.698 717 HB3 PHE 90 3HB PHE 90 -4.630 4.547 -12.158 718 HD1 PHE 90 HD1 PHE 90 -2.361 6.394 -13.620 719 HD2 PHE 90 HD2 PHE 90 -2.738 2.344 -12.367 720 HE1 PHE 90 HE1 PHE 90 0.084 6.241 -13.395 721 HE2 PHE 90 HE2 PHE 90 -0.293 2.184 -12.138 722 HZ PHE 90 HZ PHE 90 1.121 4.134 -12.652 723 H ALA 91 H ALA 91 -6.887 3.419 -12.401 724 HA ALA 91 HA ALA 91 -6.241 1.409 -10.508 725 HB1 ALA 91 1HB ALA 91 -7.982 3.456 -10.516 726 HB2 ALA 91 2HB ALA 91 -9.082 2.119 -10.853 727 HB3 ALA 91 3HB ALA 91 -8.083 2.095 -9.400 728 H VAL 92 H VAL 92 -8.162 1.441 -13.457 729 HA VAL 92 HA VAL 92 -9.217 -1.201 -13.075 730 HB VAL 92 HB VAL 92 -9.119 0.506 -15.566 731 HG11 VAL 92 1HG1 VAL 92 -10.282 -2.171 -14.981 732 HG12 VAL 92 2HG1 VAL 92 -11.160 -1.083 -16.058 733 HG13 VAL 92 3HG1 VAL 92 -9.509 -1.571 -16.448 734 HG21 VAL 92 1HG2 VAL 92 -10.658 1.723 -14.506 735 HG22 VAL 92 2HG2 VAL 92 -11.733 0.335 -14.673 736 HG23 VAL 92 3HG2 VAL 92 -10.793 0.551 -13.196 737 H ALA 93 H ALA 93 -7.072 0.096 -15.616 738 HA ALA 93 HA ALA 93 -6.179 -2.413 -16.505 739 HB1 ALA 93 1HB ALA 93 -6.020 -0.083 -17.625 740 HB2 ALA 93 2HB ALA 93 -4.489 0.041 -16.759 741 HB3 ALA 93 3HB ALA 93 -4.745 -1.267 -17.914 742 H GLY 94 H GLY 94 -5.364 -0.614 -13.722 743 HA2 GLY 94 2HA GLY 94 -2.778 -1.949 -13.404 744 HA3 GLY 94 3HA GLY 94 -3.414 -0.666 -12.385 745 H LEU 95 H LEU 95 -5.359 -1.278 -11.054 746 HA LEU 95 HA LEU 95 -4.734 -3.456 -9.407 747 HB2 LEU 95 2HB LEU 95 -7.474 -2.247 -9.613 748 HB3 LEU 95 3HB LEU 95 -6.690 -2.950 -8.200 749 HG LEU 95 HG LEU 95 -6.082 -0.297 -9.495 750 HD11 LEU 95 1HD1 LEU 95 -6.594 0.383 -7.044 751 HD12 LEU 95 2HD1 LEU 95 -7.423 -1.171 -6.971 752 HD13 LEU 95 3HD1 LEU 95 -7.927 0.042 -8.148 753 HD21 LEU 95 1HD2 LEU 95 -4.630 -1.809 -7.338 754 HD22 LEU 95 2HD2 LEU 95 -4.481 -0.065 -7.555 755 HD23 LEU 95 3HD2 LEU 95 -3.979 -1.162 -8.843 756 H LEU 96 H LEU 96 -7.249 -3.092 -11.890 757 HA LEU 96 HA LEU 96 -8.074 -5.850 -11.593 758 HB2 LEU 96 2HB LEU 96 -9.177 -3.466 -12.689 759 HB3 LEU 96 3HB LEU 96 -9.138 -4.692 -13.953 760 HG LEU 96 HG LEU 96 -11.285 -4.712 -12.853 761 HD11 LEU 96 1HD1 LEU 96 -10.057 -7.140 -11.688 762 HD12 LEU 96 2HD1 LEU 96 -9.853 -6.883 -13.420 763 HD13 LEU 96 3HD1 LEU 96 -11.472 -6.968 -12.727 764 HD21 LEU 96 1HD2 LEU 96 -10.626 -3.746 -10.717 765 HD22 LEU 96 2HD2 LEU 96 -9.741 -5.217 -10.310 766 HD23 LEU 96 3HD2 LEU 96 -11.497 -5.260 -10.476 767 H ASN 97 H ASN 97 -5.508 -4.413 -13.032 768 HA ASN 97 HA ASN 97 -4.060 -4.954 -14.707 769 HB2 ASN 97 2HB ASN 97 -5.112 -7.768 -14.503 770 HB3 ASN 97 3HB ASN 97 -3.469 -7.232 -14.845 771 HD21 ASN 97 1HD2 ASN 97 -2.077 -7.176 -13.225 772 HD22 ASN 97 2HD2 ASN 97 -2.479 -7.278 -11.547 773 H MET 98 H MET 98 -6.771 -4.166 -15.483 774 HA MET 98 HA MET 98 -7.655 -5.750 -17.663 775 HB2 MET 98 2HB MET 98 -8.777 -3.751 -16.269 776 HB3 MET 98 3HB MET 98 -8.221 -2.836 -17.664 777 HG2 MET 98 2HG MET 98 -10.369 -3.425 -18.259 778 HG3 MET 98 3HG MET 98 -9.393 -4.660 -19.051 779 HE1 MET 98 1HE MET 98 -10.451 -6.357 -19.476 780 HE2 MET 98 2HE MET 98 -10.449 -7.678 -18.306 781 HE3 MET 98 3HE MET 98 -11.963 -6.877 -18.732 782 H THR 99 H THR 99 -7.469 -5.368 -19.899 783 HA THR 99 HA THR 99 -5.186 -3.671 -20.675 784 HB THR 99 HB THR 99 -4.644 -5.296 -22.440 785 HG1 THR 99 HG1 THR 99 -6.148 -6.696 -22.923 786 HG21 THR 99 1HG2 THR 99 -4.636 -6.107 -19.567 787 HG22 THR 99 2HG2 THR 99 -3.286 -5.690 -20.622 788 HG23 THR 99 3HG2 THR 99 -4.078 -7.256 -20.781 789 H VAL 100 H VAL 100 -7.520 -2.439 -20.742 790 HA VAL 100 HA VAL 100 -9.253 -2.747 -22.864 791 HB VAL 100 HB VAL 100 -9.685 -0.313 -22.709 792 HG11 VAL 100 1HG1 VAL 100 -9.447 -1.117 -19.877 793 HG12 VAL 100 2HG1 VAL 100 -10.849 -0.542 -20.783 794 HG13 VAL 100 3HG1 VAL 100 -10.326 -2.220 -20.937 795 HG21 VAL 100 1HG2 VAL 100 -7.067 -0.104 -21.979 796 HG22 VAL 100 2HG2 VAL 100 -8.278 1.161 -21.767 797 HG23 VAL 100 3HG2 VAL 100 -7.889 0.080 -20.428 798 H SER 101 H SER 101 -9.451 -1.389 -24.830 799 HA SER 101 HA SER 101 -6.962 -1.476 -26.314 800 HB2 SER 101 2HB SER 101 -9.778 -0.811 -27.204 801 HB3 SER 101 3HB SER 101 -8.390 -0.987 -28.277 802 HG SER 101 HG SER 101 -9.411 -2.940 -28.257 803 H THR 102 H THR 102 -9.074 0.879 -24.890 804 HA THR 102 HA THR 102 -7.182 2.984 -25.605 805 HB THR 102 HB THR 102 -8.812 4.511 -26.425 806 HG1 THR 102 HG1 THR 102 -11.044 3.908 -26.514 807 HG21 THR 102 1HG2 THR 102 -7.991 2.678 -27.981 808 HG22 THR 102 2HG2 THR 102 -9.469 3.508 -28.466 809 HG23 THR 102 3HG2 THR 102 -9.557 1.905 -27.736 810 H ALA 103 H ALA 103 -7.098 4.682 -24.143 811 HA ALA 103 HA ALA 103 -7.674 4.155 -21.483 812 HB1 ALA 103 1HB ALA 103 -6.407 5.950 -21.189 813 HB2 ALA 103 2HB ALA 103 -6.433 6.218 -22.932 814 HB3 ALA 103 3HB ALA 103 -7.643 6.986 -21.903 815 H ALA 104 H ALA 104 -9.618 5.753 -23.926 816 HA ALA 104 HA ALA 104 -11.554 6.879 -22.210 817 HB1 ALA 104 1HB ALA 104 -12.388 5.975 -24.905 818 HB2 ALA 104 2HB ALA 104 -12.634 7.526 -24.100 819 HB3 ALA 104 3HB ALA 104 -11.067 7.141 -24.814 820 H ALA 105 H ALA 105 -11.429 3.776 -23.930 821 HA ALA 105 HA ALA 105 -13.967 2.845 -23.174 822 HB1 ALA 105 1HB ALA 105 -11.984 0.733 -23.410 823 HB2 ALA 105 2HB ALA 105 -13.410 1.064 -24.395 824 HB3 ALA 105 3HB ALA 105 -11.894 1.899 -24.731 825 H ALA 106 H ALA 106 -10.817 2.603 -21.595 826 HA ALA 106 HA ALA 106 -11.620 0.839 -19.531 827 HB1 ALA 106 1HB ALA 106 -9.529 2.423 -18.542 828 HB2 ALA 106 2HB ALA 106 -9.416 0.824 -19.278 829 HB3 ALA 106 3HB ALA 106 -9.247 2.269 -20.276 830 H GLU 107 H GLU 107 -10.992 4.355 -19.413 831 HA GLU 107 HA GLU 107 -11.898 4.811 -16.837 832 HB2 GLU 107 2HB GLU 107 -10.722 6.542 -17.990 833 HB3 GLU 107 3HB GLU 107 -11.925 6.593 -19.272 834 HG2 GLU 107 2HG GLU 107 -13.133 7.092 -16.705 835 HG3 GLU 107 3HG GLU 107 -11.800 8.204 -17.010 836 H ASN 108 H ASN 108 -13.721 4.693 -19.860 837 HA ASN 108 HA ASN 108 -16.186 5.589 -18.873 838 HB2 ASN 108 2HB ASN 108 -15.612 5.325 -21.287 839 HB3 ASN 108 3HB ASN 108 -15.738 3.580 -21.090 840 HD21 ASN 108 1HD2 ASN 108 -17.793 2.690 -20.531 841 HD22 ASN 108 2HD2 ASN 108 -19.245 3.517 -20.970 842 H MET 109 H MET 109 -14.836 2.317 -19.113 843 HA MET 109 HA MET 109 -17.124 0.994 -18.093 844 HB2 MET 109 2HB MET 109 -15.403 -0.169 -19.397 845 HB3 MET 109 3HB MET 109 -14.231 0.110 -18.116 846 HG2 MET 109 2HG MET 109 -16.390 -1.139 -16.872 847 HG3 MET 109 3HG MET 109 -16.176 -1.987 -18.401 848 HE1 MET 109 1HE MET 109 -13.047 -0.409 -16.153 849 HE2 MET 109 2HE MET 109 -14.590 -0.578 -15.315 850 HE3 MET 109 3HE MET 109 -13.249 -1.654 -14.920 851 H TYR 110 H TYR 110 -14.345 2.504 -16.605 852 HA TYR 110 HA TYR 110 -14.550 1.367 -14.044 853 HB2 TYR 110 2HB TYR 110 -12.555 2.551 -14.620 854 HB3 TYR 110 3HB TYR 110 -13.455 4.020 -14.979 855 HD1 TYR 110 HD1 TYR 110 -11.998 1.952 -12.354 856 HD2 TYR 110 HD2 TYR 110 -14.340 5.411 -13.163 857 HE1 TYR 110 HE1 TYR 110 -11.646 2.722 -10.044 858 HE2 TYR 110 HE2 TYR 110 -13.993 6.193 -10.856 859 HH TYR 110 HH TYR 110 -12.920 5.841 -8.935 860 H SER 111 H SER 111 -15.886 4.393 -15.348 861 HA SER 111 HA SER 111 -17.353 4.926 -12.921 862 HB2 SER 111 2HB SER 111 -17.975 6.968 -13.906 863 HB3 SER 111 3HB SER 111 -16.366 6.663 -14.561 864 HG SER 111 HG SER 111 -17.451 7.056 -16.359 865 H GLN 112 H GLN 112 -17.928 3.359 -15.951 866 HA GLN 112 HA GLN 112 -20.716 3.541 -16.105 867 HB2 GLN 112 2HB GLN 112 -19.467 2.731 -17.987 868 HB3 GLN 112 3HB GLN 112 -18.817 1.393 -17.049 869 HG2 GLN 112 2HG GLN 112 -20.604 0.116 -17.417 870 HG3 GLN 112 3HG GLN 112 -21.728 1.442 -17.123 871 HE21 GLN 112 1HE2 GLN 112 -22.296 2.809 -18.846 872 HE22 GLN 112 2HE2 GLN 112 -22.105 2.311 -20.489 873 H MET 113 H MET 113 -18.671 1.043 -14.609 874 HA MET 113 HA MET 113 -21.022 -0.194 -13.410 875 HB2 MET 113 2HB MET 113 -19.475 -1.942 -12.667 876 HB3 MET 113 3HB MET 113 -19.325 -1.654 -14.396 877 HG2 MET 113 2HG MET 113 -17.423 0.003 -13.525 878 HG3 MET 113 3HG MET 113 -17.398 -1.173 -12.213 879 HE1 MET 113 1HE MET 113 -15.224 -3.697 -13.217 880 HE2 MET 113 2HE MET 113 -14.511 -2.085 -13.276 881 HE3 MET 113 3HE MET 113 -15.767 -2.451 -12.092 882 H GLY 114 H GLY 114 -19.602 2.477 -12.654 883 HA2 GLY 114 2HA GLY 114 -19.154 3.654 -10.731 884 HA3 GLY 114 3HA GLY 114 -20.335 2.581 -9.992 885 H LEU 115 H LEU 115 -17.384 1.350 -11.375 886 HA LEU 115 HA LEU 115 -15.598 0.274 -10.468 887 HB2 LEU 115 2HB LEU 115 -15.217 2.567 -9.558 888 HB3 LEU 115 3HB LEU 115 -16.053 2.066 -8.089 889 HG LEU 115 HG LEU 115 -14.314 0.488 -7.572 890 HD11 LEU 115 1HD1 LEU 115 -12.215 0.765 -9.199 891 HD12 LEU 115 2HD1 LEU 115 -13.511 1.016 -10.368 892 HD13 LEU 115 3HD1 LEU 115 -13.449 -0.474 -9.427 893 HD21 LEU 115 1HD2 LEU 115 -12.333 2.384 -8.012 894 HD22 LEU 115 2HD2 LEU 115 -13.372 2.249 -6.593 895 HD23 LEU 115 3HD2 LEU 115 -13.828 3.317 -7.921 896 H ASP 116 H ASP 116 -17.765 -1.223 -10.300 897 HA ASP 116 HA ASP 116 -17.725 -2.325 -7.566 898 HB2 ASP 116 2HB ASP 116 -19.928 -1.339 -8.738 899 HB3 ASP 116 3HB ASP 116 -19.993 -2.982 -9.368 900 H THR 117 H THR 117 -18.506 -3.354 -10.893 901 HA THR 117 HA THR 117 -18.053 -6.073 -10.526 902 HB THR 117 HB THR 117 -17.278 -4.987 -13.168 903 HG1 THR 117 HG1 THR 117 -19.993 -4.803 -12.373 904 HG21 THR 117 1HG2 THR 117 -19.266 -6.643 -13.688 905 HG22 THR 117 2HG2 THR 117 -18.931 -7.200 -12.048 906 HG23 THR 117 3HG2 THR 117 -17.663 -7.248 -13.273 907 H ARG 118 H ARG 118 -16.286 -7.377 -11.520 908 HA ARG 118 HA ARG 118 -13.714 -6.220 -11.922 909 HB2 ARG 118 2HB ARG 118 -12.652 -7.382 -9.936 910 HB3 ARG 118 3HB ARG 118 -13.604 -5.948 -9.571 911 HG2 ARG 118 2HG ARG 118 -15.101 -7.096 -8.362 912 HG3 ARG 118 3HG ARG 118 -15.102 -8.466 -9.475 913 HD2 ARG 118 2HD ARG 118 -12.621 -8.089 -7.938 914 HD3 ARG 118 3HD ARG 118 -14.041 -8.517 -6.984 915 HE ARG 118 HE ARG 118 -13.873 -10.227 -9.207 916 HH11 ARG 118 1HH1 ARG 118 -12.245 -9.557 -6.204 917 HH12 ARG 118 2HH1 ARG 118 -11.666 -11.178 -6.005 918 HH21 ARG 118 1HH2 ARG 118 -13.116 -12.364 -8.957 919 HH22 ARG 118 2HH2 ARG 118 -12.161 -12.773 -7.573 920 HA PRO 119 HA PRO 119 -14.522 -10.464 -13.662 921 HB2 PRO 119 2HB PRO 119 -13.926 -9.792 -16.224 922 HB3 PRO 119 3HB PRO 119 -15.542 -9.606 -15.533 923 HG2 PRO 119 2HG PRO 119 -13.399 -7.551 -15.920 924 HG3 PRO 119 3HG PRO 119 -15.141 -7.421 -16.222 925 HD2 PRO 119 2HD PRO 119 -13.970 -6.416 -13.998 926 HD3 PRO 119 3HD PRO 119 -15.627 -7.052 -14.000 Start of MODEL 16 1 H1 GLY 2 H GLY 2 5.597 9.217 0.625 2 HA2 GLY 2 2HA GLY 2 5.036 7.848 -1.788 3 HA3 GLY 2 3HA GLY 2 6.465 8.819 -1.464 4 H ASN 3 H ASN 3 5.053 5.609 -1.134 5 HA ASN 3 HA ASN 3 7.609 4.452 -0.387 6 HB2 ASN 3 2HB ASN 3 5.357 3.689 0.532 7 HB3 ASN 3 3HB ASN 3 5.070 2.958 -1.045 8 HD21 ASN 3 1HD2 ASN 3 6.447 1.261 -1.736 9 HD22 ASN 3 2HD2 ASN 3 7.304 0.299 -0.585 10 H LEU 4 H LEU 4 5.344 4.313 -3.116 11 HA LEU 4 HA LEU 4 5.595 3.666 -5.281 12 HB2 LEU 4 2HB LEU 4 7.458 5.434 -4.931 13 HB3 LEU 4 3HB LEU 4 8.549 4.051 -4.999 14 HG LEU 4 HG LEU 4 6.670 4.155 -7.233 15 HD11 LEU 4 1HD1 LEU 4 7.747 6.018 -8.372 16 HD12 LEU 4 2HD1 LEU 4 8.698 6.365 -6.928 17 HD13 LEU 4 3HD1 LEU 4 6.946 6.559 -6.896 18 HD21 LEU 4 1HD2 LEU 4 8.328 3.021 -8.185 19 HD22 LEU 4 2HD2 LEU 4 9.160 3.068 -6.630 20 HD23 LEU 4 3HD2 LEU 4 9.488 4.306 -7.845 21 H LYS 5 H LYS 5 5.083 1.492 -4.307 22 HA LYS 5 HA LYS 5 7.014 -0.452 -3.788 23 HB2 LYS 5 2HB LYS 5 4.141 -0.443 -4.490 24 HB3 LYS 5 3HB LYS 5 5.000 -1.945 -4.810 25 HG2 LYS 5 2HG LYS 5 5.621 -0.881 -2.188 26 HG3 LYS 5 3HG LYS 5 3.891 -1.157 -2.406 27 HD2 LYS 5 2HD LYS 5 4.504 -3.455 -3.276 28 HD3 LYS 5 3HD LYS 5 6.140 -3.140 -2.689 29 HE2 LYS 5 2HE LYS 5 5.489 -3.889 -0.700 30 HE3 LYS 5 3HE LYS 5 4.454 -2.468 -0.568 31 HZ1 LYS 5 1HZ LYS 5 3.612 -5.049 -0.570 32 HZ2 LYS 5 2HZ LYS 5 3.291 -4.553 -2.155 33 HZ3 LYS 5 3HZ LYS 5 2.636 -3.696 -0.851 34 H SER 6 H SER 6 8.039 -1.990 -5.033 35 HA SER 6 HA SER 6 8.527 -1.257 -7.769 36 HB2 SER 6 2HB SER 6 9.712 -3.096 -5.792 37 HB3 SER 6 3HB SER 6 9.806 -3.647 -7.464 38 HG SER 6 HG SER 6 10.653 -1.454 -7.896 39 H ARG 7 H ARG 7 7.315 -4.217 -6.191 40 HA ARG 7 HA ARG 7 6.626 -5.596 -8.513 41 HB2 ARG 7 2HB ARG 7 6.712 -6.460 -6.112 42 HB3 ARG 7 3HB ARG 7 5.093 -5.797 -5.926 43 HG2 ARG 7 2HG ARG 7 4.455 -7.207 -7.943 44 HG3 ARG 7 3HG ARG 7 5.999 -8.029 -7.711 45 HD2 ARG 7 2HD ARG 7 4.952 -9.355 -6.261 46 HD3 ARG 7 3HD ARG 7 4.874 -7.965 -5.179 47 HE ARG 7 HE ARG 7 2.719 -8.007 -7.055 48 HH11 ARG 7 1HH1 ARG 7 3.852 -9.318 -4.035 49 HH12 ARG 7 2HH1 ARG 7 2.261 -9.647 -3.431 50 HH21 ARG 7 1HH2 ARG 7 0.620 -8.435 -6.270 51 HH22 ARG 7 2HH2 ARG 7 0.424 -9.145 -4.704 52 H ASP 8 H ASP 8 4.855 -3.181 -6.675 53 HA ASP 8 HA ASP 8 2.383 -3.523 -8.055 54 HB2 ASP 8 2HB ASP 8 3.471 -1.282 -6.349 55 HB3 ASP 8 3HB ASP 8 1.851 -1.265 -7.040 56 H TRP 9 H TRP 9 4.679 -0.792 -8.125 57 HA TRP 9 HA TRP 9 3.627 0.525 -10.313 58 HB2 TRP 9 2HB TRP 9 5.449 1.343 -8.764 59 HB3 TRP 9 3HB TRP 9 6.579 0.362 -9.693 60 HD1 TRP 9 HD1 TRP 9 7.930 1.934 -11.186 61 HE1 TRP 9 HE1 TRP 9 7.405 3.937 -12.715 62 HE3 TRP 9 HE3 TRP 9 2.926 2.386 -10.242 63 HZ2 TRP 9 HZ2 TRP 9 5.165 5.501 -13.426 64 HZ3 TRP 9 HZ3 TRP 9 1.665 4.161 -11.388 65 HH2 TRP 9 HH2 TRP 9 2.763 5.686 -12.945 66 H LYS 10 H LYS 10 5.945 -2.136 -10.231 67 HA LYS 10 HA LYS 10 6.481 -2.127 -13.026 68 HB2 LYS 10 2HB LYS 10 7.913 -3.159 -11.196 69 HB3 LYS 10 3HB LYS 10 6.760 -4.486 -11.167 70 HG2 LYS 10 2HG LYS 10 7.751 -5.449 -12.894 71 HG3 LYS 10 3HG LYS 10 7.583 -3.984 -13.863 72 HD2 LYS 10 2HD LYS 10 9.879 -4.282 -13.809 73 HD3 LYS 10 3HD LYS 10 9.618 -3.146 -12.483 74 HE2 LYS 10 2HE LYS 10 10.371 -4.600 -10.968 75 HE3 LYS 10 3HE LYS 10 9.385 -5.907 -11.622 76 HZ1 LYS 10 1HZ LYS 10 12.092 -5.065 -12.476 77 HZ2 LYS 10 2HZ LYS 10 11.120 -6.076 -13.422 78 HZ3 LYS 10 3HZ LYS 10 11.607 -6.573 -11.880 79 H MET 11 H MET 11 4.089 -3.676 -10.992 80 HA MET 11 HA MET 11 3.150 -5.493 -12.986 81 HB2 MET 11 2HB MET 11 2.809 -5.984 -10.635 82 HB3 MET 11 3HB MET 11 1.874 -4.508 -10.430 83 HG2 MET 11 2HG MET 11 0.005 -5.414 -11.277 84 HG3 MET 11 3HG MET 11 0.879 -6.338 -12.497 85 HE1 MET 11 1HE MET 11 -1.115 -7.773 -8.883 86 HE2 MET 11 2HE MET 11 0.110 -6.627 -8.340 87 HE3 MET 11 3HE MET 11 -1.055 -6.153 -9.577 88 H ALA 12 H ALA 12 1.736 -2.532 -11.581 89 HA ALA 12 HA ALA 12 -0.457 -2.330 -13.280 90 HB1 ALA 12 1HB ALA 12 -0.649 -0.060 -12.572 91 HB2 ALA 12 2HB ALA 12 -0.057 -0.999 -11.201 92 HB3 ALA 12 3HB ALA 12 1.056 0.006 -12.130 93 H ILE 13 H ILE 13 2.778 -0.892 -13.629 94 HA ILE 13 HA ILE 13 2.267 0.424 -16.068 95 HB ILE 13 HB ILE 13 4.852 -0.536 -14.847 96 HG12 ILE 13 2HG1 ILE 13 3.608 1.259 -13.656 97 HG13 ILE 13 3HG1 ILE 13 5.171 1.795 -14.263 98 HG21 ILE 13 1HG2 ILE 13 5.677 1.336 -16.561 99 HG22 ILE 13 2HG2 ILE 13 5.595 -0.374 -16.982 100 HG23 ILE 13 3HG2 ILE 13 4.297 0.718 -17.469 101 HD11 ILE 13 1HD1 ILE 13 4.041 2.843 -16.175 102 HD12 ILE 13 2HD1 ILE 13 2.487 2.354 -15.499 103 HD13 ILE 13 3HD1 ILE 13 3.507 3.497 -14.625 104 H LYS 14 H LYS 14 3.423 -2.817 -15.312 105 HA LYS 14 HA LYS 14 4.247 -3.612 -17.855 106 HB2 LYS 14 2HB LYS 14 4.766 -5.000 -15.985 107 HB3 LYS 14 3HB LYS 14 3.068 -5.175 -15.560 108 HG2 LYS 14 2HG LYS 14 2.674 -6.731 -17.190 109 HG3 LYS 14 3HG LYS 14 3.975 -6.136 -18.225 110 HD2 LYS 14 2HD LYS 14 4.639 -7.364 -15.584 111 HD3 LYS 14 3HD LYS 14 4.234 -8.406 -16.950 112 HE2 LYS 14 2HE LYS 14 6.037 -7.554 -18.240 113 HE3 LYS 14 3HE LYS 14 6.326 -6.246 -17.094 114 HZ1 LYS 14 1HZ LYS 14 7.504 -8.756 -17.127 115 HZ2 LYS 14 2HZ LYS 14 6.498 -8.730 -15.768 116 HZ3 LYS 14 3HZ LYS 14 7.690 -7.546 -15.959 117 H ARG 15 H ARG 15 1.038 -3.668 -16.369 118 HA ARG 15 HA ARG 15 -0.166 -4.851 -18.719 119 HB2 ARG 15 2HB ARG 15 -1.250 -3.865 -16.088 120 HB3 ARG 15 3HB ARG 15 -2.313 -4.351 -17.401 121 HG2 ARG 15 2HG ARG 15 -0.173 -6.186 -16.399 122 HG3 ARG 15 3HG ARG 15 -1.732 -6.067 -15.583 123 HD2 ARG 15 2HD ARG 15 -2.825 -7.142 -17.236 124 HD3 ARG 15 3HD ARG 15 -1.862 -6.384 -18.504 125 HE ARG 15 HE ARG 15 -0.524 -8.229 -18.512 126 HH11 ARG 15 1HH1 ARG 15 -2.255 -8.125 -15.493 127 HH12 ARG 15 2HH1 ARG 15 -1.671 -9.666 -14.956 128 HH21 ARG 15 1HH2 ARG 15 0.251 -10.259 -17.816 129 HH22 ARG 15 2HH2 ARG 15 -0.246 -10.879 -16.278 130 H CYS 16 H CYS 16 0.208 -1.682 -17.288 131 HA CYS 16 HA CYS 16 -1.741 -0.334 -18.829 132 HB2 CYS 16 2HB CYS 16 0.665 0.531 -17.261 133 HB3 CYS 16 3HB CYS 16 -0.184 1.692 -18.274 134 HG CYS 16 HG CYS 16 -1.237 0.171 -15.432 135 H SER 17 H SER 17 1.394 -1.520 -19.566 136 HA SER 17 HA SER 17 2.176 0.239 -21.602 137 HB2 SER 17 2HB SER 17 3.312 -1.930 -20.435 138 HB3 SER 17 3HB SER 17 2.845 -2.617 -21.990 139 HG SER 17 HG SER 17 4.605 -1.701 -22.675 140 H ASN 18 H ASN 18 -0.320 -2.097 -21.502 141 HA ASN 18 HA ASN 18 -0.508 -2.256 -24.415 142 HB2 ASN 18 2HB ASN 18 -1.778 -3.758 -22.148 143 HB3 ASN 18 3HB ASN 18 -2.514 -3.791 -23.748 144 HD21 ASN 18 1HD2 ASN 18 0.657 -4.181 -22.207 145 HD22 ASN 18 2HD2 ASN 18 1.161 -5.509 -23.193 146 H VAL 19 H VAL 19 -1.061 0.218 -22.900 147 HA VAL 19 HA VAL 19 -3.936 0.548 -23.415 148 HB VAL 19 HB VAL 19 -2.051 2.309 -21.841 149 HG11 VAL 19 1HG1 VAL 19 -4.869 2.635 -22.722 150 HG12 VAL 19 2HG1 VAL 19 -4.437 3.192 -21.104 151 HG13 VAL 19 3HG1 VAL 19 -3.600 3.842 -22.514 152 HG21 VAL 19 1HG2 VAL 19 -2.575 1.136 -20.021 153 HG22 VAL 19 2HG2 VAL 19 -4.294 1.164 -20.411 154 HG23 VAL 19 3HG2 VAL 19 -3.254 -0.081 -21.102 155 H ALA 20 H ALA 20 -4.702 2.142 -24.769 156 HA ALA 20 HA ALA 20 -2.675 3.519 -26.408 157 HB1 ALA 20 1HB ALA 20 -4.218 1.608 -27.390 158 HB2 ALA 20 2HB ALA 20 -5.360 2.944 -27.543 159 HB3 ALA 20 3HB ALA 20 -3.787 3.031 -28.338 160 H VAL 21 H VAL 21 -3.258 5.595 -27.254 161 HA VAL 21 HA VAL 21 -4.896 7.111 -25.395 162 HB VAL 21 HB VAL 21 -2.759 8.069 -25.946 163 HG11 VAL 21 1HG1 VAL 21 -2.200 7.149 -28.030 164 HG12 VAL 21 2HG1 VAL 21 -3.675 7.750 -28.788 165 HG13 VAL 21 3HG1 VAL 21 -2.391 8.875 -28.340 166 HG21 VAL 21 1HG2 VAL 21 -4.544 9.831 -27.534 167 HG22 VAL 21 2HG2 VAL 21 -5.019 9.457 -25.878 168 HG23 VAL 21 3HG2 VAL 21 -3.463 10.224 -26.196 169 H GLY 22 H GLY 22 -5.053 5.891 -28.636 170 HA2 GLY 22 2HA GLY 22 -6.934 7.646 -29.752 171 HA3 GLY 22 3HA GLY 22 -6.698 5.972 -30.233 172 H VAL 23 H VAL 23 -9.091 6.250 -30.582 173 HA VAL 23 HA VAL 23 -10.523 5.596 -28.088 174 HB VAL 23 HB VAL 23 -12.533 6.622 -28.993 175 HG11 VAL 23 1HG1 VAL 23 -10.206 8.531 -29.178 176 HG12 VAL 23 2HG1 VAL 23 -11.885 8.942 -28.825 177 HG13 VAL 23 3HG1 VAL 23 -10.949 7.987 -27.674 178 HG21 VAL 23 1HG2 VAL 23 -12.479 7.921 -31.064 179 HG22 VAL 23 2HG2 VAL 23 -10.813 7.415 -31.343 180 HG23 VAL 23 3HG2 VAL 23 -12.113 6.223 -31.365 181 H GLY 24 H GLY 24 -9.205 3.862 -30.114 182 HA2 GLY 24 2HA GLY 24 -10.843 1.699 -30.166 183 HA3 GLY 24 3HA GLY 24 -11.343 2.605 -31.586 184 H GLY 25 H GLY 25 -10.628 1.228 -33.152 185 HA2 GLY 25 2HA GLY 25 -7.951 0.136 -33.056 186 HA3 GLY 25 3HA GLY 25 -9.134 -0.107 -34.332 187 H LYS 26 H LYS 26 -6.344 0.456 -34.670 188 HA LYS 26 HA LYS 26 -4.926 1.798 -35.845 189 HB2 LYS 26 2HB LYS 26 -7.523 2.676 -37.121 190 HB3 LYS 26 3HB LYS 26 -5.920 2.973 -37.779 191 HG2 LYS 26 2HG LYS 26 -6.855 0.188 -37.208 192 HG3 LYS 26 3HG LYS 26 -7.294 1.012 -38.706 193 HD2 LYS 26 2HD LYS 26 -5.367 0.016 -39.403 194 HD3 LYS 26 3HD LYS 26 -4.679 1.501 -38.742 195 HE2 LYS 26 2HE LYS 26 -4.840 -0.184 -36.556 196 HE3 LYS 26 3HE LYS 26 -4.361 -1.255 -37.872 197 HZ1 LYS 26 1HZ LYS 26 -2.385 -0.189 -38.146 198 HZ2 LYS 26 2HZ LYS 26 -2.597 0.075 -36.489 199 HZ3 LYS 26 3HZ LYS 26 -2.962 1.302 -37.595 200 H SER 27 H SER 27 -4.298 3.046 -34.028 201 HA SER 27 HA SER 27 -4.731 5.846 -34.355 202 HB2 SER 27 2HB SER 27 -6.747 4.849 -32.962 203 HB3 SER 27 3HB SER 27 -5.578 4.913 -31.642 204 HG SER 27 HG SER 27 -6.083 7.138 -33.312 205 H LYS 28 H LYS 28 -3.886 6.847 -31.987 206 HA LYS 28 HA LYS 28 -1.130 5.959 -31.926 207 HB2 LYS 28 2HB LYS 28 -2.591 8.278 -30.672 208 HB3 LYS 28 3HB LYS 28 -0.907 7.925 -30.311 209 HG2 LYS 28 2HG LYS 28 -1.179 7.933 -33.123 210 HG3 LYS 28 3HG LYS 28 -2.001 9.367 -32.502 211 HD2 LYS 28 2HD LYS 28 0.237 10.021 -32.862 212 HD3 LYS 28 3HD LYS 28 0.085 9.788 -31.119 213 HE2 LYS 28 2HE LYS 28 1.755 8.327 -31.174 214 HE3 LYS 28 3HE LYS 28 0.818 7.300 -32.260 215 HZ1 LYS 28 1HZ LYS 28 2.420 7.706 -33.731 216 HZ2 LYS 28 2HZ LYS 28 3.065 8.985 -32.831 217 HZ3 LYS 28 3HZ LYS 28 1.770 9.260 -33.885 218 H LYS 29 H LYS 29 -0.007 5.311 -30.058 219 HA LYS 29 HA LYS 29 -1.700 3.948 -28.102 220 HB2 LYS 29 2HB LYS 29 0.760 3.327 -29.395 221 HB3 LYS 29 3HB LYS 29 1.072 3.432 -27.668 222 HG2 LYS 29 2HG LYS 29 0.027 1.511 -27.258 223 HG3 LYS 29 3HG LYS 29 -1.344 1.937 -28.284 224 HD2 LYS 29 2HD LYS 29 -0.393 0.046 -29.302 225 HD3 LYS 29 3HD LYS 29 0.189 1.413 -30.257 226 HE2 LYS 29 2HE LYS 29 2.095 0.115 -29.944 227 HE3 LYS 29 3HE LYS 29 2.235 1.358 -28.703 228 HZ1 LYS 29 1HZ LYS 29 2.673 -1.038 -28.026 229 HZ2 LYS 29 2HZ LYS 29 0.999 -1.262 -28.124 230 HZ3 LYS 29 3HZ LYS 29 1.638 -0.135 -27.037 231 H PHE 30 H PHE 30 -0.835 3.886 -25.815 232 HA PHE 30 HA PHE 30 -0.188 6.628 -25.005 233 HB2 PHE 30 2HB PHE 30 -1.987 4.640 -24.008 234 HB3 PHE 30 3HB PHE 30 -0.811 5.014 -22.752 235 HD1 PHE 30 HD1 PHE 30 -3.959 5.714 -23.548 236 HD2 PHE 30 HD2 PHE 30 -0.293 7.809 -23.012 237 HE1 PHE 30 HE1 PHE 30 -5.211 7.759 -22.995 238 HE2 PHE 30 HE2 PHE 30 -1.539 9.856 -22.457 239 HZ PHE 30 HZ PHE 30 -4.002 9.833 -22.447 240 H GLY 31 H GLY 31 2.031 6.689 -25.195 241 HA2 GLY 31 2HA GLY 31 3.786 4.652 -24.343 242 HA3 GLY 31 3HA GLY 31 4.224 6.331 -24.619 243 H GLU 32 H GLU 32 5.481 5.005 -22.630 244 HA GLU 32 HA GLU 32 4.264 5.094 -20.102 245 HB2 GLU 32 2HB GLU 32 6.588 5.065 -19.217 246 HB3 GLU 32 3HB GLU 32 6.287 3.830 -20.430 247 HG2 GLU 32 2HG GLU 32 7.254 5.602 -22.074 248 HG3 GLU 32 3HG GLU 32 7.950 6.295 -20.612 249 H GLY 33 H GLY 33 6.216 7.488 -21.844 250 HA2 GLY 33 2HA GLY 33 6.441 9.402 -19.828 251 HA3 GLY 33 3HA GLY 33 6.447 9.753 -21.550 252 H ASN 34 H ASN 34 3.830 8.883 -22.159 253 HA ASN 34 HA ASN 34 2.368 11.212 -21.491 254 HB2 ASN 34 2HB ASN 34 1.530 8.607 -22.774 255 HB3 ASN 34 3HB ASN 34 0.451 9.988 -22.592 256 HD21 ASN 34 1HD2 ASN 34 2.747 8.503 -24.525 257 HD22 ASN 34 2HD2 ASN 34 3.026 9.798 -25.635 258 H PHE 35 H PHE 35 1.873 7.802 -20.571 259 HA PHE 35 HA PHE 35 -0.249 8.260 -18.800 260 HB2 PHE 35 2HB PHE 35 1.403 6.042 -19.586 261 HB3 PHE 35 3HB PHE 35 1.208 6.038 -17.836 262 HD1 PHE 35 HD1 PHE 35 -0.288 4.341 -17.369 263 HD2 PHE 35 HD2 PHE 35 -1.159 7.074 -20.514 264 HE1 PHE 35 HE1 PHE 35 -2.519 3.334 -17.621 265 HE2 PHE 35 HE2 PHE 35 -3.391 6.072 -20.770 266 HZ PHE 35 HZ PHE 35 -4.075 4.200 -19.323 267 H ARG 36 H ARG 36 3.151 8.738 -18.457 268 HA ARG 36 HA ARG 36 3.224 8.696 -15.599 269 HB2 ARG 36 2HB ARG 36 5.095 9.164 -17.786 270 HB3 ARG 36 3HB ARG 36 5.370 10.241 -16.423 271 HG2 ARG 36 2HG ARG 36 6.100 8.583 -15.086 272 HG3 ARG 36 3HG ARG 36 4.967 7.404 -15.750 273 HD2 ARG 36 2HD ARG 36 6.352 6.930 -17.574 274 HD3 ARG 36 3HD ARG 36 7.296 8.403 -17.353 275 HE ARG 36 HE ARG 36 7.498 6.614 -15.129 276 HH11 ARG 36 1HH1 ARG 36 8.712 7.319 -18.315 277 HH12 ARG 36 2HH1 ARG 36 10.237 6.540 -18.047 278 HH21 ARG 36 1HH2 ARG 36 9.501 5.586 -14.765 279 HH22 ARG 36 2HH2 ARG 36 10.684 5.554 -16.029 280 H TRP 37 H TRP 37 3.022 11.243 -18.053 281 HA TRP 37 HA TRP 37 3.110 13.418 -16.252 282 HB2 TRP 37 2HB TRP 37 3.572 13.912 -18.515 283 HB3 TRP 37 3HB TRP 37 2.103 13.118 -19.075 284 HD1 TRP 37 HD1 TRP 37 3.411 16.439 -17.841 285 HE1 TRP 37 HE1 TRP 37 1.537 18.197 -17.979 286 HE3 TRP 37 HE3 TRP 37 -0.530 13.347 -18.866 287 HZ2 TRP 37 HZ2 TRP 37 -1.244 18.265 -18.457 288 HZ3 TRP 37 HZ3 TRP 37 -2.764 14.338 -19.149 289 HH2 TRP 37 HH2 TRP 37 -3.111 16.747 -18.947 290 H ALA 38 H ALA 38 0.479 11.452 -17.508 291 HA ALA 38 HA ALA 38 -1.641 13.075 -16.557 292 HB1 ALA 38 1HB ALA 38 -1.356 10.389 -17.714 293 HB2 ALA 38 2HB ALA 38 -2.746 10.605 -16.650 294 HB3 ALA 38 3HB ALA 38 -2.537 11.654 -18.053 295 H ILE 39 H ILE 39 -0.423 9.958 -15.308 296 HA ILE 39 HA ILE 39 -1.882 9.957 -12.936 297 HB ILE 39 HB ILE 39 -0.723 7.970 -13.742 298 HG12 ILE 39 2HG1 ILE 39 0.736 8.170 -11.239 299 HG13 ILE 39 3HG1 ILE 39 -0.886 8.836 -11.093 300 HG21 ILE 39 1HG2 ILE 39 1.563 7.736 -13.924 301 HG22 ILE 39 2HG2 ILE 39 1.339 9.418 -14.401 302 HG23 ILE 39 3HG2 ILE 39 1.893 9.030 -12.773 303 HD11 ILE 39 1HD1 ILE 39 -1.230 6.453 -12.470 304 HD12 ILE 39 2HD1 ILE 39 -0.030 6.093 -11.228 305 HD13 ILE 39 3HD1 ILE 39 -1.596 6.766 -10.774 306 H ARG 40 H ARG 40 1.251 11.389 -13.686 307 HA ARG 40 HA ARG 40 1.937 12.096 -11.033 308 HB2 ARG 40 2HB ARG 40 3.608 11.991 -12.810 309 HB3 ARG 40 3HB ARG 40 2.812 13.309 -13.660 310 HG2 ARG 40 2HG ARG 40 3.359 14.209 -11.038 311 HG3 ARG 40 3HG ARG 40 4.819 13.432 -11.654 312 HD2 ARG 40 2HD ARG 40 4.932 14.876 -13.507 313 HD3 ARG 40 3HD ARG 40 3.276 15.434 -13.275 314 HE ARG 40 HE ARG 40 4.045 16.970 -11.764 315 HH11 ARG 40 1HH1 ARG 40 6.507 14.569 -12.302 316 HH12 ARG 40 2HH1 ARG 40 7.717 15.420 -11.398 317 HH21 ARG 40 1HH2 ARG 40 5.628 18.099 -10.572 318 HH22 ARG 40 2HH2 ARG 40 7.215 17.427 -10.415 319 H MET 41 H MET 41 0.762 14.149 -13.709 320 HA MET 41 HA MET 41 0.353 16.457 -12.208 321 HB2 MET 41 2HB MET 41 0.340 16.453 -14.649 322 HB3 MET 41 3HB MET 41 -1.141 15.504 -14.658 323 HG2 MET 41 2HG MET 41 -2.322 17.366 -14.645 324 HG3 MET 41 3HG MET 41 -1.629 17.790 -13.082 325 HE1 MET 41 1HE MET 41 -2.753 19.743 -14.569 326 HE2 MET 41 2HE MET 41 -1.604 21.052 -14.850 327 HE3 MET 41 3HE MET 41 -2.155 20.057 -16.198 328 H ALA 42 H ALA 42 -1.792 13.719 -12.807 329 HA ALA 42 HA ALA 42 -4.150 14.752 -11.738 330 HB1 ALA 42 1HB ALA 42 -3.163 11.903 -11.693 331 HB2 ALA 42 2HB ALA 42 -4.825 12.417 -11.403 332 HB3 ALA 42 3HB ALA 42 -4.087 12.668 -12.985 333 H ASN 43 H ASN 43 -1.534 12.964 -10.125 334 HA ASN 43 HA ASN 43 -2.673 12.869 -7.573 335 HB2 ASN 43 2HB ASN 43 0.263 13.028 -8.292 336 HB3 ASN 43 3HB ASN 43 -0.395 12.467 -6.757 337 HD21 ASN 43 1HD2 ASN 43 1.299 11.050 -8.609 338 HD22 ASN 43 2HD2 ASN 43 0.430 9.636 -9.091 339 H VAL 44 H VAL 44 -0.371 15.222 -8.933 340 HA VAL 44 HA VAL 44 -0.237 16.883 -6.671 341 HB VAL 44 HB VAL 44 0.092 17.766 -9.539 342 HG11 VAL 44 1HG1 VAL 44 1.671 19.391 -8.537 343 HG12 VAL 44 2HG1 VAL 44 0.007 19.614 -7.996 344 HG13 VAL 44 3HG1 VAL 44 1.182 18.832 -6.939 345 HG21 VAL 44 1HG2 VAL 44 1.616 15.870 -8.003 346 HG22 VAL 44 2HG2 VAL 44 1.808 16.359 -9.687 347 HG23 VAL 44 3HG2 VAL 44 2.602 17.276 -8.407 348 H SER 45 H SER 45 -2.425 16.846 -9.433 349 HA SER 45 HA SER 45 -3.685 19.305 -9.035 350 HB2 SER 45 2HB SER 45 -4.133 16.937 -10.617 351 HB3 SER 45 3HB SER 45 -5.662 17.519 -9.959 352 HG SER 45 HG SER 45 -3.949 18.695 -11.799 353 H THR 46 H THR 46 -3.960 16.318 -7.312 354 HA THR 46 HA THR 46 -6.366 17.221 -5.911 355 HB THR 46 HB THR 46 -6.462 14.995 -4.932 356 HG1 THR 46 HG1 THR 46 -4.874 13.452 -5.473 357 HG21 THR 46 1HG2 THR 46 -7.245 13.931 -6.800 358 HG22 THR 46 2HG2 THR 46 -5.844 14.374 -7.774 359 HG23 THR 46 3HG2 THR 46 -7.101 15.566 -7.443 360 H GLY 47 H GLY 47 -2.965 17.055 -5.541 361 HA2 GLY 47 2HA GLY 47 -1.773 18.169 -3.846 362 HA3 GLY 47 3HA GLY 47 -3.213 18.136 -2.841 363 H ARG 48 H ARG 48 -1.450 15.529 -4.496 364 HA ARG 48 HA ARG 48 -0.959 14.314 -1.859 365 HB2 ARG 48 2HB ARG 48 -2.756 13.322 -3.642 366 HB3 ARG 48 3HB ARG 48 -1.300 12.467 -4.134 367 HG2 ARG 48 2HG ARG 48 -2.264 11.036 -2.595 368 HG3 ARG 48 3HG ARG 48 -1.053 11.892 -1.638 369 HD2 ARG 48 2HD ARG 48 -3.591 13.288 -1.668 370 HD3 ARG 48 3HD ARG 48 -3.758 11.639 -1.063 371 HE ARG 48 HE ARG 48 -1.552 13.008 0.124 372 HH11 ARG 48 1HH1 ARG 48 -5.008 12.612 0.244 373 HH12 ARG 48 2HH1 ARG 48 -5.132 13.051 1.915 374 HH21 ARG 48 1HH2 ARG 48 -1.702 13.587 2.325 375 HH22 ARG 48 2HH2 ARG 48 -3.250 13.606 3.098 376 H GLU 49 H GLU 49 0.897 15.934 -3.128 377 HA GLU 49 HA GLU 49 3.097 15.994 -3.702 378 HB2 GLU 49 2HB GLU 49 2.742 13.448 -2.337 379 HB3 GLU 49 3HB GLU 49 4.046 13.389 -3.514 380 HG2 GLU 49 2HG GLU 49 5.386 14.661 -2.270 381 HG3 GLU 49 3HG GLU 49 4.093 15.784 -1.855 382 HA PRO 50 HA PRO 50 3.442 14.861 -7.925 383 HB2 PRO 50 2HB PRO 50 6.130 14.651 -8.248 384 HB3 PRO 50 3HB PRO 50 5.306 16.200 -8.030 385 HG2 PRO 50 2HG PRO 50 6.776 14.536 -6.021 386 HG3 PRO 50 3HG PRO 50 6.818 16.292 -6.265 387 HD2 PRO 50 2HD PRO 50 5.351 15.127 -4.309 388 HD3 PRO 50 3HD PRO 50 4.847 16.625 -5.117 389 H GLY 51 H GLY 51 5.698 12.934 -5.931 390 HA2 GLY 51 2HA GLY 51 5.463 10.684 -7.748 391 HA3 GLY 51 3HA GLY 51 6.467 10.765 -6.308 392 H ASP 52 H ASP 52 3.063 10.574 -7.317 393 HA ASP 52 HA ASP 52 2.499 9.075 -4.848 394 HB2 ASP 52 2HB ASP 52 1.163 11.237 -5.975 395 HB3 ASP 52 3HB ASP 52 0.164 9.851 -6.403 396 H ILE 53 H ILE 53 2.894 6.981 -5.319 397 HA ILE 53 HA ILE 53 1.610 5.860 -7.723 398 HB ILE 53 HB ILE 53 3.961 4.755 -6.182 399 HG12 ILE 53 2HG1 ILE 53 4.466 6.805 -7.499 400 HG13 ILE 53 3HG1 ILE 53 5.307 5.380 -8.098 401 HG21 ILE 53 1HG2 ILE 53 4.063 3.332 -8.365 402 HG22 ILE 53 2HG2 ILE 53 2.961 2.876 -7.066 403 HG23 ILE 53 3HG2 ILE 53 2.350 3.736 -8.479 404 HD11 ILE 53 1HD1 ILE 53 3.849 7.152 -9.598 405 HD12 ILE 53 2HD1 ILE 53 4.337 5.529 -10.091 406 HD13 ILE 53 3HD1 ILE 53 2.741 5.796 -9.390 407 HA PRO 54 HA PRO 54 -0.684 4.168 -4.063 408 HB2 PRO 54 2HB PRO 54 -3.139 4.438 -5.191 409 HB3 PRO 54 3HB PRO 54 -2.344 5.740 -4.296 410 HG2 PRO 54 2HG PRO 54 -2.520 5.306 -7.253 411 HG3 PRO 54 3HG PRO 54 -2.708 6.808 -6.329 412 HD2 PRO 54 2HD PRO 54 -0.418 6.172 -7.628 413 HD3 PRO 54 3HD PRO 54 -0.432 7.112 -6.123 414 H GLU 55 H GLU 55 -1.919 2.212 -3.926 415 HA GLU 55 HA GLU 55 -2.147 0.619 -6.364 416 HB2 GLU 55 2HB GLU 55 0.105 0.208 -5.250 417 HB3 GLU 55 3HB GLU 55 -0.792 -0.505 -3.916 418 HG2 GLU 55 2HG GLU 55 -1.740 -1.684 -6.304 419 HG3 GLU 55 3HG GLU 55 0.021 -1.698 -6.362 420 H THR 56 H THR 56 -4.061 1.880 -4.584 421 HA THR 56 HA THR 56 -5.576 -0.522 -3.847 422 HB THR 56 HB THR 56 -6.284 0.353 -1.750 423 HG1 THR 56 HG1 THR 56 -6.287 2.435 -1.384 424 HG21 THR 56 1HG2 THR 56 -3.811 -0.521 -2.097 425 HG22 THR 56 2HG2 THR 56 -4.355 0.097 -0.537 426 HG23 THR 56 3HG2 THR 56 -3.411 1.126 -1.614 427 H LEU 57 H LEU 57 -7.685 -0.456 -4.397 428 HA LEU 57 HA LEU 57 -8.663 1.347 -6.244 429 HB2 LEU 57 2HB LEU 57 -9.558 -0.970 -5.140 430 HB3 LEU 57 3HB LEU 57 -10.697 0.193 -4.466 431 HG LEU 57 HG LEU 57 -11.665 -0.740 -6.436 432 HD11 LEU 57 1HD1 LEU 57 -11.913 1.709 -6.040 433 HD12 LEU 57 2HD1 LEU 57 -12.102 1.223 -7.725 434 HD13 LEU 57 3HD1 LEU 57 -10.599 1.975 -7.188 435 HD21 LEU 57 1HD2 LEU 57 -9.429 0.238 -8.156 436 HD22 LEU 57 2HD2 LEU 57 -10.625 -1.018 -8.475 437 HD23 LEU 57 3HD2 LEU 57 -9.298 -1.327 -7.354 438 H ASP 58 H ASP 58 -8.658 1.542 -2.764 439 HA ASP 58 HA ASP 58 -10.582 3.621 -2.524 440 HB2 ASP 58 2HB ASP 58 -9.944 2.144 -0.644 441 HB3 ASP 58 3HB ASP 58 -8.341 2.875 -0.632 442 H GLN 59 H GLN 59 -7.091 3.549 -2.944 443 HA GLN 59 HA GLN 59 -6.708 6.344 -2.520 444 HB2 GLN 59 2HB GLN 59 -5.057 4.048 -3.361 445 HB3 GLN 59 3HB GLN 59 -4.546 5.607 -3.992 446 HG2 GLN 59 2HG GLN 59 -3.685 6.211 -2.040 447 HG3 GLN 59 3HG GLN 59 -5.154 5.763 -1.175 448 HE21 GLN 59 1HE2 GLN 59 -2.288 4.347 -2.694 449 HE22 GLN 59 2HE2 GLN 59 -2.103 3.063 -1.553 450 H LEU 60 H LEU 60 -6.693 4.329 -5.460 451 HA LEU 60 HA LEU 60 -6.414 6.408 -7.303 452 HB2 LEU 60 2HB LEU 60 -7.480 3.630 -7.422 453 HB3 LEU 60 3HB LEU 60 -7.743 4.699 -8.800 454 HG LEU 60 HG LEU 60 -5.778 3.202 -9.040 455 HD11 LEU 60 1HD1 LEU 60 -4.683 5.960 -8.902 456 HD12 LEU 60 2HD1 LEU 60 -6.069 5.660 -9.950 457 HD13 LEU 60 3HD1 LEU 60 -4.572 4.760 -10.190 458 HD21 LEU 60 1HD2 LEU 60 -5.092 3.175 -6.686 459 HD22 LEU 60 2HD2 LEU 60 -4.632 4.874 -6.804 460 HD23 LEU 60 3HD2 LEU 60 -3.769 3.657 -7.747 461 H ARG 61 H ARG 61 -9.331 4.938 -5.930 462 HA ARG 61 HA ARG 61 -11.217 6.324 -7.467 463 HB2 ARG 61 2HB ARG 61 -11.899 4.426 -6.163 464 HB3 ARG 61 3HB ARG 61 -11.381 5.200 -4.671 465 HG2 ARG 61 2HG ARG 61 -13.217 6.564 -4.577 466 HG3 ARG 61 3HG ARG 61 -13.467 6.529 -6.325 467 HD2 ARG 61 2HD ARG 61 -14.553 4.497 -6.263 468 HD3 ARG 61 3HD ARG 61 -13.785 4.015 -4.751 469 HE ARG 61 HE ARG 61 -15.395 6.202 -4.183 470 HH11 ARG 61 1HH1 ARG 61 -15.772 2.938 -5.333 471 HH12 ARG 61 2HH1 ARG 61 -17.358 2.746 -4.662 472 HH21 ARG 61 1HH2 ARG 61 -17.482 5.961 -3.295 473 HH22 ARG 61 2HH2 ARG 61 -18.329 4.467 -3.503 474 H LEU 62 H LEU 62 -9.932 7.081 -4.232 475 HA LEU 62 HA LEU 62 -11.324 9.426 -3.763 476 HB2 LEU 62 2HB LEU 62 -9.070 8.070 -2.657 477 HB3 LEU 62 3HB LEU 62 -8.695 9.788 -2.777 478 HG LEU 62 HG LEU 62 -9.559 9.371 -0.595 479 HD11 LEU 62 1HD1 LEU 62 -11.949 10.506 -1.976 480 HD12 LEU 62 2HD1 LEU 62 -10.407 11.357 -2.048 481 HD13 LEU 62 3HD1 LEU 62 -11.157 11.024 -0.488 482 HD21 LEU 62 1HD2 LEU 62 -10.953 7.688 -0.219 483 HD22 LEU 62 2HD2 LEU 62 -11.199 7.472 -1.953 484 HD23 LEU 62 3HD2 LEU 62 -12.232 8.578 -1.046 485 H VAL 63 H VAL 63 -8.296 8.950 -5.531 486 HA VAL 63 HA VAL 63 -7.711 11.666 -5.983 487 HB VAL 63 HB VAL 63 -6.996 9.333 -7.764 488 HG11 VAL 63 1HG1 VAL 63 -5.178 10.693 -8.535 489 HG12 VAL 63 2HG1 VAL 63 -6.675 11.610 -8.719 490 HG13 VAL 63 3HG1 VAL 63 -5.581 11.966 -7.383 491 HG21 VAL 63 1HG2 VAL 63 -4.839 10.131 -6.108 492 HG22 VAL 63 2HG2 VAL 63 -6.243 9.868 -5.073 493 HG23 VAL 63 3HG2 VAL 63 -5.681 8.581 -6.140 494 H ILE 64 H ILE 64 -9.447 9.287 -7.971 495 HA ILE 64 HA ILE 64 -9.946 10.905 -10.184 496 HB ILE 64 HB ILE 64 -11.690 8.711 -9.057 497 HG12 ILE 64 2HG1 ILE 64 -9.872 8.402 -11.413 498 HG13 ILE 64 3HG1 ILE 64 -9.184 8.334 -9.795 499 HG21 ILE 64 1HG2 ILE 64 -11.694 10.100 -11.726 500 HG22 ILE 64 2HG2 ILE 64 -12.475 8.544 -11.445 501 HG23 ILE 64 3HG2 ILE 64 -13.015 9.973 -10.565 502 HD11 ILE 64 1HD1 ILE 64 -10.150 6.205 -11.143 503 HD12 ILE 64 2HD1 ILE 64 -10.040 6.307 -9.386 504 HD13 ILE 64 3HD1 ILE 64 -11.563 6.670 -10.196 505 H CYS 65 H CYS 65 -11.667 10.621 -7.126 506 HA CYS 65 HA CYS 65 -13.945 12.118 -7.842 507 HB2 CYS 65 2HB CYS 65 -12.652 11.693 -5.140 508 HB3 CYS 65 3HB CYS 65 -14.239 12.414 -5.382 509 HG CYS 65 HG CYS 65 -14.199 9.566 -6.973 510 H ASP 66 H ASP 66 -11.047 13.103 -6.012 511 HA ASP 66 HA ASP 66 -11.678 15.811 -5.798 512 HB2 ASP 66 2HB ASP 66 -9.310 14.141 -5.423 513 HB3 ASP 66 3HB ASP 66 -8.916 15.773 -5.960 514 H LEU 67 H LEU 67 -9.953 14.060 -8.339 515 HA LEU 67 HA LEU 67 -9.093 16.243 -9.848 516 HB2 LEU 67 2HB LEU 67 -9.112 13.451 -10.098 517 HB3 LEU 67 3HB LEU 67 -9.909 14.068 -11.544 518 HG LEU 67 HG LEU 67 -7.551 13.719 -11.963 519 HD11 LEU 67 1HD1 LEU 67 -8.956 16.090 -12.416 520 HD12 LEU 67 2HD1 LEU 67 -7.545 15.495 -13.291 521 HD13 LEU 67 3HD1 LEU 67 -7.337 16.585 -11.919 522 HD21 LEU 67 1HD2 LEU 67 -5.917 15.240 -10.752 523 HD22 LEU 67 2HD2 LEU 67 -6.550 13.870 -9.839 524 HD23 LEU 67 3HD2 LEU 67 -7.194 15.489 -9.560 525 H GLN 68 H GLN 68 -12.146 14.446 -9.961 526 HA GLN 68 HA GLN 68 -13.262 15.768 -12.171 527 HB2 GLN 68 2HB GLN 68 -14.214 14.014 -10.021 528 HB3 GLN 68 3HB GLN 68 -15.436 15.128 -10.620 529 HG2 GLN 68 2HG GLN 68 -13.805 13.400 -12.451 530 HG3 GLN 68 3HG GLN 68 -15.311 12.850 -11.719 531 HE21 GLN 68 1HE2 GLN 68 -14.071 14.054 -14.448 532 HE22 GLN 68 2HE2 GLN 68 -15.445 14.888 -15.078 533 H GLU 69 H GLU 69 -13.424 16.477 -8.703 534 HA GLU 69 HA GLU 69 -15.191 18.677 -8.935 535 HB2 GLU 69 2HB GLU 69 -13.317 17.700 -6.811 536 HB3 GLU 69 3HB GLU 69 -14.079 19.275 -6.644 537 HG2 GLU 69 2HG GLU 69 -16.226 18.353 -6.541 538 HG3 GLU 69 3HG GLU 69 -15.683 16.799 -7.169 539 H ARG 70 H ARG 70 -11.797 18.308 -9.446 540 HA ARG 70 HA ARG 70 -11.116 21.075 -9.151 541 HB2 ARG 70 2HB ARG 70 -9.675 18.725 -10.376 542 HB3 ARG 70 3HB ARG 70 -8.994 20.346 -10.337 543 HG2 ARG 70 2HG ARG 70 -9.955 19.204 -7.777 544 HG3 ARG 70 3HG ARG 70 -8.474 18.542 -8.470 545 HD2 ARG 70 2HD ARG 70 -7.699 20.262 -7.116 546 HD3 ARG 70 3HD ARG 70 -7.752 21.003 -8.715 547 HE ARG 70 HE ARG 70 -9.336 22.450 -7.939 548 HH11 ARG 70 1HH1 ARG 70 -9.170 19.714 -5.793 549 HH12 ARG 70 2HH1 ARG 70 -10.256 20.395 -4.627 550 HH21 ARG 70 1HH2 ARG 70 -10.768 23.358 -6.411 551 HH22 ARG 70 2HH2 ARG 70 -11.165 22.468 -4.981 552 H ARG 71 H ARG 71 -11.278 18.936 -12.005 553 HA ARG 71 HA ARG 71 -10.990 20.939 -13.927 554 HB2 ARG 71 2HB ARG 71 -11.647 19.335 -15.525 555 HB3 ARG 71 3HB ARG 71 -10.875 18.412 -14.242 556 HG2 ARG 71 2HG ARG 71 -12.702 17.117 -14.517 557 HG3 ARG 71 3HG ARG 71 -13.395 18.278 -13.384 558 HD2 ARG 71 2HD ARG 71 -14.866 18.983 -14.897 559 HD3 ARG 71 3HD ARG 71 -13.595 19.244 -16.091 560 HE ARG 71 HE ARG 71 -14.102 16.501 -15.946 561 HH11 ARG 71 1HH1 ARG 71 -15.698 19.434 -16.933 562 HH12 ARG 71 2HH1 ARG 71 -16.679 18.652 -18.128 563 HH21 ARG 71 1HH2 ARG 71 -15.387 15.460 -17.517 564 HH22 ARG 71 2HH2 ARG 71 -16.502 16.391 -18.459 565 H GLU 72 H GLU 72 -13.785 19.884 -12.127 566 HA GLU 72 HA GLU 72 -15.744 21.120 -13.778 567 HB2 GLU 72 2HB GLU 72 -15.676 19.822 -11.125 568 HB3 GLU 72 3HB GLU 72 -16.950 21.011 -11.353 569 HG2 GLU 72 2HG GLU 72 -16.878 19.361 -13.655 570 HG3 GLU 72 3HG GLU 72 -16.854 18.321 -12.233 571 H LYS 73 H LYS 73 -14.606 22.032 -10.520 572 HA LYS 73 HA LYS 73 -15.764 24.585 -10.528 573 HB2 LYS 73 2HB LYS 73 -13.805 23.129 -8.883 574 HB3 LYS 73 3HB LYS 73 -13.630 24.878 -8.849 575 HG2 LYS 73 2HG LYS 73 -15.972 25.097 -8.174 576 HG3 LYS 73 3HG LYS 73 -16.137 23.339 -8.197 577 HD2 LYS 73 2HD LYS 73 -14.559 23.103 -6.411 578 HD3 LYS 73 3HD LYS 73 -14.145 24.818 -6.483 579 HE2 LYS 73 2HE LYS 73 -16.939 24.664 -6.140 580 HE3 LYS 73 3HE LYS 73 -16.225 23.519 -5.007 581 HZ1 LYS 73 1HZ LYS 73 -16.505 26.124 -4.513 582 HZ2 LYS 73 2HZ LYS 73 -14.934 26.111 -5.138 583 HZ3 LYS 73 3HZ LYS 73 -15.316 25.157 -3.794 584 H PHE 74 H PHE 74 -12.858 23.388 -11.959 585 HA PHE 74 HA PHE 74 -11.689 26.015 -12.310 586 HB2 PHE 74 2HB PHE 74 -10.278 24.001 -11.940 587 HB3 PHE 74 3HB PHE 74 -10.828 23.364 -13.485 588 HD1 PHE 74 HD1 PHE 74 -8.672 25.775 -11.822 589 HD2 PHE 74 HD2 PHE 74 -10.106 24.382 -15.579 590 HE1 PHE 74 HE1 PHE 74 -6.851 26.978 -12.958 591 HE2 PHE 74 HE2 PHE 74 -8.286 25.581 -16.722 592 HZ PHE 74 HZ PHE 74 -6.656 26.880 -15.411 593 H GLY 75 H GLY 75 -13.729 23.832 -14.055 594 HA2 GLY 75 2HA GLY 75 -15.076 24.496 -15.878 595 HA3 GLY 75 3HA GLY 75 -13.947 25.803 -16.205 596 H SER 76 H SER 76 -14.333 24.926 -18.439 597 HA SER 76 HA SER 76 -13.503 22.452 -19.337 598 HB2 SER 76 2HB SER 76 -12.977 23.678 -21.514 599 HB3 SER 76 3HB SER 76 -14.611 23.877 -20.881 600 HG SER 76 HG SER 76 -12.921 25.774 -21.482 601 H SER 77 H SER 77 -11.578 21.579 -20.055 602 HA SER 77 HA SER 77 -9.140 22.917 -20.318 603 HB2 SER 77 2HB SER 77 -9.126 23.358 -17.975 604 HB3 SER 77 3HB SER 77 -9.640 21.715 -17.592 605 HG SER 77 HG SER 77 -7.125 22.639 -18.452 606 H LYS 78 H LYS 78 -8.870 21.566 -22.051 607 HA LYS 78 HA LYS 78 -9.276 18.826 -22.155 608 HB2 LYS 78 2HB LYS 78 -8.326 20.762 -23.887 609 HB3 LYS 78 3HB LYS 78 -6.948 19.687 -23.694 610 HG2 LYS 78 2HG LYS 78 -8.810 17.845 -24.115 611 HG3 LYS 78 3HG LYS 78 -9.582 19.194 -24.953 612 HD2 LYS 78 2HD LYS 78 -6.713 18.764 -25.516 613 HD3 LYS 78 3HD LYS 78 -7.824 17.535 -26.125 614 HE2 LYS 78 2HE LYS 78 -8.024 18.917 -27.885 615 HE3 LYS 78 3HE LYS 78 -9.121 19.811 -26.834 616 HZ1 LYS 78 1HZ LYS 78 -6.404 20.549 -26.394 617 HZ2 LYS 78 2HZ LYS 78 -7.732 21.523 -26.777 618 HZ3 LYS 78 3HZ LYS 78 -6.845 20.777 -28.011 619 H GLU 79 H GLU 79 -6.687 20.627 -20.715 620 HA GLU 79 HA GLU 79 -4.769 18.539 -20.600 621 HB2 GLU 79 2HB GLU 79 -5.126 21.180 -19.262 622 HB3 GLU 79 3HB GLU 79 -3.988 20.040 -18.557 623 HG2 GLU 79 2HG GLU 79 -2.479 20.822 -19.973 624 HG3 GLU 79 3HG GLU 79 -3.381 20.022 -21.260 625 H ILE 80 H ILE 80 -6.787 19.922 -18.000 626 HA ILE 80 HA ILE 80 -6.238 17.912 -16.123 627 HB ILE 80 HB ILE 80 -8.740 19.595 -16.286 628 HG12 ILE 80 2HG1 ILE 80 -6.127 20.168 -14.870 629 HG13 ILE 80 3HG1 ILE 80 -6.669 20.953 -16.350 630 HG21 ILE 80 1HG2 ILE 80 -8.933 19.217 -13.913 631 HG22 ILE 80 2HG2 ILE 80 -8.837 17.665 -14.743 632 HG23 ILE 80 3HG2 ILE 80 -7.425 18.303 -13.902 633 HD11 ILE 80 1HD1 ILE 80 -8.775 21.473 -14.799 634 HD12 ILE 80 2HD1 ILE 80 -7.525 21.365 -13.560 635 HD13 ILE 80 3HD1 ILE 80 -7.357 22.517 -14.884 636 H ASP 81 H ASP 81 -8.779 18.208 -18.552 637 HA ASP 81 HA ASP 81 -10.414 16.098 -17.755 638 HB2 ASP 81 2HB ASP 81 -9.911 17.533 -20.308 639 HB3 ASP 81 3HB ASP 81 -10.736 15.980 -20.414 640 H MET 82 H MET 82 -7.641 16.081 -19.980 641 HA MET 82 HA MET 82 -7.736 13.364 -20.645 642 HB2 MET 82 2HB MET 82 -6.378 15.016 -21.862 643 HB3 MET 82 3HB MET 82 -5.319 15.173 -20.467 644 HG2 MET 82 2HG MET 82 -4.438 13.028 -20.748 645 HG3 MET 82 3HG MET 82 -5.749 12.534 -21.815 646 HE1 MET 82 1HE MET 82 -4.267 11.824 -24.252 647 HE2 MET 82 2HE MET 82 -5.848 12.564 -23.999 648 HE3 MET 82 3HE MET 82 -4.736 13.242 -25.189 649 H ALA 83 H ALA 83 -5.832 15.025 -18.136 650 HA ALA 83 HA ALA 83 -4.476 12.867 -17.085 651 HB1 ALA 83 1HB ALA 83 -4.940 15.540 -16.345 652 HB2 ALA 83 2HB ALA 83 -5.326 14.553 -14.935 653 HB3 ALA 83 3HB ALA 83 -3.738 14.427 -15.691 654 H ILE 84 H ILE 84 -7.794 13.894 -16.483 655 HA ILE 84 HA ILE 84 -8.331 12.144 -14.335 656 HB ILE 84 HB ILE 84 -10.234 13.326 -16.360 657 HG12 ILE 84 2HG1 ILE 84 -9.960 14.261 -13.533 658 HG13 ILE 84 3HG1 ILE 84 -8.755 14.768 -14.711 659 HG21 ILE 84 1HG2 ILE 84 -11.830 12.942 -14.322 660 HG22 ILE 84 2HG2 ILE 84 -11.500 11.636 -15.458 661 HG23 ILE 84 3HG2 ILE 84 -10.663 11.687 -13.907 662 HD11 ILE 84 1HD1 ILE 84 -11.570 15.095 -15.513 663 HD12 ILE 84 2HD1 ILE 84 -10.993 16.133 -14.208 664 HD13 ILE 84 3HD1 ILE 84 -10.180 16.148 -15.773 665 H VAL 85 H VAL 85 -9.199 11.865 -17.786 666 HA VAL 85 HA VAL 85 -10.347 9.362 -17.749 667 HB VAL 85 HB VAL 85 -8.601 10.514 -19.930 668 HG11 VAL 85 1HG1 VAL 85 -9.847 9.015 -21.425 669 HG12 VAL 85 2HG1 VAL 85 -8.920 8.122 -20.219 670 HG13 VAL 85 3HG1 VAL 85 -10.663 8.313 -20.029 671 HG21 VAL 85 1HG2 VAL 85 -11.241 10.733 -20.696 672 HG22 VAL 85 2HG2 VAL 85 -11.279 11.143 -18.981 673 HG23 VAL 85 3HG2 VAL 85 -10.228 12.038 -20.078 674 H THR 86 H THR 86 -6.921 10.202 -17.913 675 HA THR 86 HA THR 86 -5.947 7.589 -18.355 676 HB THR 86 HB THR 86 -4.583 9.959 -17.062 677 HG1 THR 86 HG1 THR 86 -5.331 10.002 -19.372 678 HG21 THR 86 1HG2 THR 86 -2.568 8.520 -18.089 679 HG22 THR 86 2HG2 THR 86 -3.668 7.208 -17.669 680 HG23 THR 86 3HG2 THR 86 -3.124 8.336 -16.427 681 H LEU 87 H LEU 87 -6.216 9.509 -15.365 682 HA LEU 87 HA LEU 87 -5.202 7.686 -13.564 683 HB2 LEU 87 2HB LEU 87 -5.721 9.888 -12.845 684 HB3 LEU 87 3HB LEU 87 -7.420 9.697 -13.273 685 HG LEU 87 HG LEU 87 -7.648 8.045 -11.437 686 HD11 LEU 87 1HD1 LEU 87 -5.370 7.271 -11.278 687 HD12 LEU 87 2HD1 LEU 87 -5.863 7.964 -9.732 688 HD13 LEU 87 3HD1 LEU 87 -4.819 8.882 -10.818 689 HD21 LEU 87 1HD2 LEU 87 -7.616 9.677 -9.633 690 HD22 LEU 87 2HD2 LEU 87 -8.241 10.400 -11.116 691 HD23 LEU 87 3HD2 LEU 87 -6.591 10.742 -10.595 692 H LYS 88 H LYS 88 -8.356 7.757 -15.085 693 HA LYS 88 HA LYS 88 -9.579 5.809 -13.417 694 HB2 LYS 88 2HB LYS 88 -10.201 6.994 -16.097 695 HB3 LYS 88 3HB LYS 88 -11.092 5.579 -15.549 696 HG2 LYS 88 2HG LYS 88 -12.440 6.899 -14.400 697 HG3 LYS 88 3HG LYS 88 -11.074 7.420 -13.411 698 HD2 LYS 88 2HD LYS 88 -10.872 9.388 -14.500 699 HD3 LYS 88 3HD LYS 88 -11.273 8.681 -16.067 700 HE2 LYS 88 2HE LYS 88 -13.633 8.489 -14.651 701 HE3 LYS 88 3HE LYS 88 -12.975 10.040 -14.134 702 HZ1 LYS 88 1HZ LYS 88 -13.712 10.892 -16.024 703 HZ2 LYS 88 2HZ LYS 88 -14.218 9.376 -16.578 704 HZ3 LYS 88 3HZ LYS 88 -12.640 9.904 -16.883 705 H VAL 89 H VAL 89 -8.414 5.552 -16.784 706 HA VAL 89 HA VAL 89 -8.642 2.777 -16.992 707 HB VAL 89 HB VAL 89 -8.334 4.136 -18.966 708 HG11 VAL 89 1HG1 VAL 89 -5.591 4.731 -17.862 709 HG12 VAL 89 2HG1 VAL 89 -6.146 5.159 -19.482 710 HG13 VAL 89 3HG1 VAL 89 -6.918 5.874 -18.067 711 HG21 VAL 89 1HG2 VAL 89 -5.799 2.671 -19.126 712 HG22 VAL 89 2HG2 VAL 89 -7.159 1.717 -18.534 713 HG23 VAL 89 3HG2 VAL 89 -7.261 2.521 -20.101 714 H PHE 90 H PHE 90 -6.130 4.770 -15.606 715 HA PHE 90 HA PHE 90 -4.104 2.795 -15.491 716 HB2 PHE 90 2HB PHE 90 -4.098 5.438 -15.066 717 HB3 PHE 90 3HB PHE 90 -4.212 4.902 -13.393 718 HD1 PHE 90 HD1 PHE 90 -1.944 6.208 -15.360 719 HD2 PHE 90 HD2 PHE 90 -2.572 2.500 -13.367 720 HE1 PHE 90 HE1 PHE 90 0.485 5.821 -15.323 721 HE2 PHE 90 HE2 PHE 90 -0.143 2.107 -13.327 722 HZ PHE 90 HZ PHE 90 1.389 3.769 -14.305 723 H ALA 91 H ALA 91 -6.376 3.985 -13.019 724 HA ALA 91 HA ALA 91 -5.640 2.322 -10.933 725 HB1 ALA 91 1HB ALA 91 -7.717 2.828 -9.927 726 HB2 ALA 91 2HB ALA 91 -7.277 4.246 -10.880 727 HB3 ALA 91 3HB ALA 91 -8.487 3.116 -11.487 728 H VAL 92 H VAL 92 -8.028 1.723 -13.495 729 HA VAL 92 HA VAL 92 -8.734 -0.872 -12.557 730 HB VAL 92 HB VAL 92 -10.263 0.402 -13.965 731 HG11 VAL 92 1HG1 VAL 92 -8.521 1.500 -15.347 732 HG12 VAL 92 2HG1 VAL 92 -8.293 -0.025 -16.207 733 HG13 VAL 92 3HG1 VAL 92 -9.841 0.816 -16.298 734 HG21 VAL 92 1HG2 VAL 92 -9.495 -2.317 -14.385 735 HG22 VAL 92 2HG2 VAL 92 -11.096 -1.587 -14.497 736 HG23 VAL 92 3HG2 VAL 92 -10.045 -1.627 -15.912 737 H ALA 93 H ALA 93 -6.443 0.348 -14.946 738 HA ALA 93 HA ALA 93 -5.726 -2.140 -16.065 739 HB1 ALA 93 1HB ALA 93 -3.616 -0.891 -16.733 740 HB2 ALA 93 2HB ALA 93 -5.147 -0.226 -17.299 741 HB3 ALA 93 3HB ALA 93 -4.320 0.510 -15.927 742 H GLY 94 H GLY 94 -4.998 -0.698 -13.044 743 HA2 GLY 94 2HA GLY 94 -2.736 -2.542 -12.635 744 HA3 GLY 94 3HA GLY 94 -3.038 -1.090 -11.691 745 H LEU 95 H LEU 95 -5.263 -1.139 -10.549 746 HA LEU 95 HA LEU 95 -5.229 -3.170 -8.646 747 HB2 LEU 95 2HB LEU 95 -7.313 -1.181 -9.472 748 HB3 LEU 95 3HB LEU 95 -7.641 -2.368 -8.210 749 HG LEU 95 HG LEU 95 -7.022 -0.280 -7.195 750 HD11 LEU 95 1HD1 LEU 95 -6.220 -2.397 -6.177 751 HD12 LEU 95 2HD1 LEU 95 -5.212 -1.001 -5.795 752 HD13 LEU 95 3HD1 LEU 95 -4.681 -2.168 -7.006 753 HD21 LEU 95 1HD2 LEU 95 -4.409 -0.444 -8.689 754 HD22 LEU 95 2HD2 LEU 95 -4.953 0.846 -7.616 755 HD23 LEU 95 3HD2 LEU 95 -5.759 0.587 -9.164 756 H LEU 96 H LEU 96 -7.037 -2.894 -11.650 757 HA LEU 96 HA LEU 96 -8.315 -5.484 -11.139 758 HB2 LEU 96 2HB LEU 96 -9.282 -3.142 -12.227 759 HB3 LEU 96 3HB LEU 96 -8.988 -4.154 -13.640 760 HG LEU 96 HG LEU 96 -10.474 -5.423 -11.425 761 HD11 LEU 96 1HD1 LEU 96 -12.492 -4.303 -11.730 762 HD12 LEU 96 2HD1 LEU 96 -11.939 -3.509 -13.205 763 HD13 LEU 96 3HD1 LEU 96 -11.304 -3.002 -11.640 764 HD21 LEU 96 1HD2 LEU 96 -11.270 -6.730 -13.076 765 HD22 LEU 96 2HD2 LEU 96 -9.886 -6.104 -13.971 766 HD23 LEU 96 3HD2 LEU 96 -11.479 -5.380 -14.191 767 H ASN 97 H ASN 97 -5.596 -4.253 -12.586 768 HA ASN 97 HA ASN 97 -4.110 -5.004 -14.144 769 HB2 ASN 97 2HB ASN 97 -5.304 -7.720 -13.570 770 HB3 ASN 97 3HB ASN 97 -3.668 -7.363 -14.117 771 HD21 ASN 97 1HD2 ASN 97 -2.209 -6.384 -12.655 772 HD22 ASN 97 2HD2 ASN 97 -2.435 -6.527 -10.949 773 H MET 98 H MET 98 -6.759 -4.218 -15.097 774 HA MET 98 HA MET 98 -7.509 -6.019 -17.196 775 HB2 MET 98 2HB MET 98 -8.413 -3.403 -16.177 776 HB3 MET 98 3HB MET 98 -8.662 -3.659 -17.899 777 HG2 MET 98 2HG MET 98 -9.479 -5.874 -16.141 778 HG3 MET 98 3HG MET 98 -10.414 -4.387 -16.002 779 HE1 MET 98 1HE MET 98 -12.363 -7.097 -18.160 780 HE2 MET 98 2HE MET 98 -11.679 -6.877 -16.549 781 HE3 MET 98 3HE MET 98 -12.846 -5.712 -17.180 782 H THR 99 H THR 99 -6.993 -5.967 -19.330 783 HA THR 99 HA THR 99 -4.835 -4.126 -20.100 784 HB THR 99 HB THR 99 -5.628 -6.641 -21.565 785 HG1 THR 99 HG1 THR 99 -3.974 -6.270 -19.309 786 HG21 THR 99 1HG2 THR 99 -2.864 -5.567 -21.520 787 HG22 THR 99 2HG2 THR 99 -4.064 -4.655 -22.435 788 HG23 THR 99 3HG2 THR 99 -3.756 -6.346 -22.826 789 H VAL 100 H VAL 100 -7.135 -2.826 -20.173 790 HA VAL 100 HA VAL 100 -8.838 -3.036 -22.331 791 HB VAL 100 HB VAL 100 -9.066 -0.512 -22.155 792 HG11 VAL 100 1HG1 VAL 100 -10.523 -0.775 -20.441 793 HG12 VAL 100 2HG1 VAL 100 -10.138 -2.481 -20.684 794 HG13 VAL 100 3HG1 VAL 100 -9.334 -1.566 -19.407 795 HG21 VAL 100 1HG2 VAL 100 -7.607 0.708 -20.996 796 HG22 VAL 100 2HG2 VAL 100 -7.699 -0.377 -19.608 797 HG23 VAL 100 3HG2 VAL 100 -6.582 -0.726 -20.927 798 H SER 101 H SER 101 -8.954 -1.421 -24.191 799 HA SER 101 HA SER 101 -6.452 -1.616 -25.670 800 HB2 SER 101 2HB SER 101 -9.252 -1.674 -26.346 801 HB3 SER 101 3HB SER 101 -8.433 -0.431 -27.291 802 HG SER 101 HG SER 101 -6.844 -2.125 -27.770 803 H THR 102 H THR 102 -8.787 0.839 -24.645 804 HA THR 102 HA THR 102 -6.696 2.871 -25.006 805 HB THR 102 HB THR 102 -8.189 4.449 -25.980 806 HG1 THR 102 HG1 THR 102 -10.416 3.899 -26.317 807 HG21 THR 102 1HG2 THR 102 -7.362 2.280 -27.325 808 HG22 THR 102 2HG2 THR 102 -8.301 3.572 -28.073 809 HG23 THR 102 3HG2 THR 102 -9.104 2.100 -27.530 810 H ALA 103 H ALA 103 -7.050 4.826 -23.733 811 HA ALA 103 HA ALA 103 -7.734 4.256 -21.065 812 HB1 ALA 103 1HB ALA 103 -7.436 6.962 -22.360 813 HB2 ALA 103 2HB ALA 103 -7.348 6.609 -20.634 814 HB3 ALA 103 3HB ALA 103 -6.112 5.985 -21.726 815 H ALA 104 H ALA 104 -9.541 5.696 -23.703 816 HA ALA 104 HA ALA 104 -11.677 6.742 -22.182 817 HB1 ALA 104 1HB ALA 104 -12.586 7.334 -24.165 818 HB2 ALA 104 2HB ALA 104 -10.969 6.952 -24.759 819 HB3 ALA 104 3HB ALA 104 -12.266 5.765 -24.906 820 H ALA 105 H ALA 105 -11.333 3.665 -23.941 821 HA ALA 105 HA ALA 105 -13.840 2.601 -23.347 822 HB1 ALA 105 1HB ALA 105 -13.082 0.920 -24.582 823 HB2 ALA 105 2HB ALA 105 -11.513 1.726 -24.634 824 HB3 ALA 105 3HB ALA 105 -11.849 0.530 -23.382 825 H ALA 106 H ALA 106 -10.769 2.259 -21.586 826 HA ALA 106 HA ALA 106 -11.782 0.603 -19.537 827 HB1 ALA 106 1HB ALA 106 -9.594 2.317 -18.694 828 HB2 ALA 106 2HB ALA 106 -9.662 0.562 -18.848 829 HB3 ALA 106 3HB ALA 106 -9.298 1.557 -20.258 830 H GLU 107 H GLU 107 -11.253 4.118 -19.684 831 HA GLU 107 HA GLU 107 -12.052 4.759 -17.100 832 HB2 GLU 107 2HB GLU 107 -10.998 6.416 -18.484 833 HB3 GLU 107 3HB GLU 107 -12.295 6.328 -19.667 834 HG2 GLU 107 2HG GLU 107 -12.983 7.097 -16.884 835 HG3 GLU 107 3HG GLU 107 -12.155 8.275 -17.902 836 H ASN 108 H ASN 108 -13.998 4.416 -20.041 837 HA ASN 108 HA ASN 108 -16.454 5.223 -18.954 838 HB2 ASN 108 2HB ASN 108 -16.161 5.036 -21.350 839 HB3 ASN 108 3HB ASN 108 -15.854 3.308 -21.216 840 HD21 ASN 108 1HD2 ASN 108 -17.496 2.129 -21.843 841 HD22 ASN 108 2HD2 ASN 108 -19.168 2.521 -21.657 842 H MET 109 H MET 109 -14.963 2.014 -19.201 843 HA MET 109 HA MET 109 -17.139 0.611 -18.044 844 HB2 MET 109 2HB MET 109 -15.389 -0.455 -19.438 845 HB3 MET 109 3HB MET 109 -14.225 -0.184 -18.148 846 HG2 MET 109 2HG MET 109 -15.782 -1.548 -16.674 847 HG3 MET 109 3HG MET 109 -16.596 -2.017 -18.164 848 HE1 MET 109 1HE MET 109 -12.263 -2.421 -17.182 849 HE2 MET 109 2HE MET 109 -13.540 -1.675 -16.222 850 HE3 MET 109 3HE MET 109 -13.171 -3.388 -16.020 851 H TYR 110 H TYR 110 -14.248 2.124 -16.731 852 HA TYR 110 HA TYR 110 -14.310 1.062 -14.152 853 HB2 TYR 110 2HB TYR 110 -12.396 2.316 -14.908 854 HB3 TYR 110 3HB TYR 110 -13.370 3.764 -15.131 855 HD1 TYR 110 HD1 TYR 110 -11.642 1.644 -12.714 856 HD2 TYR 110 HD2 TYR 110 -14.111 5.075 -13.202 857 HE1 TYR 110 HE1 TYR 110 -11.111 2.345 -10.417 858 HE2 TYR 110 HE2 TYR 110 -13.585 5.787 -10.908 859 HH TYR 110 HH TYR 110 -11.379 3.901 -8.858 860 H SER 111 H SER 111 -15.870 3.974 -15.453 861 HA SER 111 HA SER 111 -17.167 4.556 -12.941 862 HB2 SER 111 2HB SER 111 -16.495 6.399 -14.394 863 HB3 SER 111 3HB SER 111 -17.517 5.779 -15.690 864 HG SER 111 HG SER 111 -18.949 7.054 -14.816 865 H GLN 112 H GLN 112 -17.994 3.038 -15.989 866 HA GLN 112 HA GLN 112 -20.785 2.988 -15.697 867 HB2 GLN 112 2HB GLN 112 -18.798 1.424 -17.277 868 HB3 GLN 112 3HB GLN 112 -20.437 0.800 -17.155 869 HG2 GLN 112 2HG GLN 112 -19.921 3.626 -17.990 870 HG3 GLN 112 3HG GLN 112 -19.832 2.298 -19.146 871 HE21 GLN 112 1HE2 GLN 112 -21.666 4.498 -19.161 872 HE22 GLN 112 2HE2 GLN 112 -23.256 3.835 -19.028 873 H MET 113 H MET 113 -18.278 1.117 -14.220 874 HA MET 113 HA MET 113 -20.063 -0.987 -13.341 875 HB2 MET 113 2HB MET 113 -17.145 -0.402 -13.028 876 HB3 MET 113 3HB MET 113 -17.914 -1.540 -11.929 877 HG2 MET 113 2HG MET 113 -18.155 -1.813 -14.903 878 HG3 MET 113 3HG MET 113 -16.781 -2.467 -14.015 879 HE1 MET 113 1HE MET 113 -18.007 -5.544 -12.313 880 HE2 MET 113 2HE MET 113 -16.810 -4.985 -13.481 881 HE3 MET 113 3HE MET 113 -17.051 -4.101 -11.973 882 H GLY 114 H GLY 114 -18.921 2.058 -12.193 883 HA2 GLY 114 2HA GLY 114 -20.202 3.129 -10.427 884 HA3 GLY 114 3HA GLY 114 -20.316 1.563 -9.639 885 H LEU 115 H LEU 115 -17.309 2.540 -11.056 886 HA LEU 115 HA LEU 115 -16.110 2.599 -8.397 887 HB2 LEU 115 2HB LEU 115 -14.669 2.781 -11.027 888 HB3 LEU 115 3HB LEU 115 -14.023 2.290 -9.463 889 HG LEU 115 HG LEU 115 -15.948 0.715 -11.173 890 HD11 LEU 115 1HD1 LEU 115 -13.982 -0.883 -11.198 891 HD12 LEU 115 2HD1 LEU 115 -13.008 0.462 -10.603 892 HD13 LEU 115 3HD1 LEU 115 -13.818 0.583 -12.164 893 HD21 LEU 115 1HD2 LEU 115 -15.152 0.504 -8.359 894 HD22 LEU 115 2HD2 LEU 115 -14.992 -0.990 -9.282 895 HD23 LEU 115 3HD2 LEU 115 -16.551 -0.167 -9.200 896 H ASP 116 H ASP 116 -16.921 4.711 -11.014 897 HA ASP 116 HA ASP 116 -15.252 6.872 -10.002 898 HB2 ASP 116 2HB ASP 116 -15.673 6.357 -12.492 899 HB3 ASP 116 3HB ASP 116 -17.249 7.103 -12.242 900 H THR 117 H THR 117 -16.144 8.947 -9.443 901 HA THR 117 HA THR 117 -18.119 8.883 -7.517 902 HB THR 117 HB THR 117 -17.896 11.432 -9.008 903 HG1 THR 117 HG1 THR 117 -15.766 11.698 -8.632 904 HG21 THR 117 1HG2 THR 117 -17.230 12.084 -6.563 905 HG22 THR 117 2HG2 THR 117 -17.880 10.493 -6.170 906 HG23 THR 117 3HG2 THR 117 -18.907 11.697 -6.947 907 H ARG 118 H ARG 118 -18.427 9.847 -10.924 908 HA ARG 118 HA ARG 118 -20.243 10.167 -12.262 909 HB2 ARG 118 2HB ARG 118 -20.405 7.734 -11.898 910 HB3 ARG 118 3HB ARG 118 -21.412 8.018 -10.484 911 HG2 ARG 118 2HG ARG 118 -23.063 9.142 -11.983 912 HG3 ARG 118 3HG ARG 118 -22.084 8.615 -13.353 913 HD2 ARG 118 2HD ARG 118 -23.270 6.730 -13.328 914 HD3 ARG 118 3HD ARG 118 -22.415 6.320 -11.840 915 HE ARG 118 HE ARG 118 -24.517 7.887 -11.045 916 HH11 ARG 118 1HH1 ARG 118 -24.157 4.915 -12.821 917 HH12 ARG 118 2HH1 ARG 118 -25.679 4.269 -12.305 918 HH21 ARG 118 1HH2 ARG 118 -26.523 7.047 -10.357 919 HH22 ARG 118 2HH2 ARG 118 -27.024 5.483 -10.903 920 HA PRO 119 HA PRO 119 -22.305 12.891 -9.116 921 HB2 PRO 119 2HB PRO 119 -21.926 15.188 -10.514 922 HB3 PRO 119 3HB PRO 119 -20.725 14.535 -9.394 923 HG2 PRO 119 2HG PRO 119 -20.844 14.327 -12.378 924 HG3 PRO 119 3HG PRO 119 -19.448 14.656 -11.334 925 HD2 PRO 119 2HD PRO 119 -19.935 12.210 -12.389 926 HD3 PRO 119 3HD PRO 119 -19.160 12.431 -10.807 Start of MODEL 17 1 H1 GLY 2 H GLY 2 4.963 6.703 1.359 2 HA2 GLY 2 2HA GLY 2 3.262 4.647 0.221 3 HA3 GLY 2 3HA GLY 2 4.042 5.959 -0.650 4 H ASN 3 H ASN 3 5.287 5.116 -2.181 5 HA ASN 3 HA ASN 3 6.801 3.805 -3.263 6 HB2 ASN 3 2HB ASN 3 7.864 4.063 -0.497 7 HB3 ASN 3 3HB ASN 3 8.608 2.848 -1.531 8 HD21 ASN 3 1HD2 ASN 3 10.536 4.089 -1.413 9 HD22 ASN 3 2HD2 ASN 3 10.740 5.491 -2.402 10 H LEU 4 H LEU 4 5.324 2.187 -3.857 11 HA LEU 4 HA LEU 4 5.067 -0.143 -2.122 12 HB2 LEU 4 2HB LEU 4 3.715 0.780 -4.624 13 HB3 LEU 4 3HB LEU 4 3.613 -0.909 -4.135 14 HG LEU 4 HG LEU 4 1.636 0.292 -3.428 15 HD11 LEU 4 1HD1 LEU 4 1.517 -0.579 -1.311 16 HD12 LEU 4 2HD1 LEU 4 3.148 -0.063 -0.885 17 HD13 LEU 4 3HD1 LEU 4 2.912 -1.452 -1.946 18 HD21 LEU 4 1HD2 LEU 4 3.488 2.053 -1.826 19 HD22 LEU 4 2HD2 LEU 4 1.727 2.139 -1.873 20 HD23 LEU 4 3HD2 LEU 4 2.669 2.532 -3.312 21 H LYS 5 H LYS 5 4.989 -2.288 -3.565 22 HA LYS 5 HA LYS 5 7.594 -2.993 -4.134 23 HB2 LYS 5 2HB LYS 5 5.022 -4.215 -4.316 24 HB3 LYS 5 3HB LYS 5 5.901 -4.565 -5.798 25 HG2 LYS 5 2HG LYS 5 7.496 -5.803 -4.727 26 HG3 LYS 5 3HG LYS 5 7.299 -4.938 -3.201 27 HD2 LYS 5 2HD LYS 5 5.339 -6.122 -2.661 28 HD3 LYS 5 3HD LYS 5 5.143 -6.712 -4.314 29 HE2 LYS 5 2HE LYS 5 7.425 -7.869 -3.905 30 HE3 LYS 5 3HE LYS 5 7.069 -7.602 -2.200 31 HZ1 LYS 5 1HZ LYS 5 6.319 -9.775 -2.900 32 HZ2 LYS 5 2HZ LYS 5 5.365 -9.095 -4.120 33 HZ3 LYS 5 3HZ LYS 5 4.988 -8.813 -2.495 34 H SER 6 H SER 6 8.821 -1.850 -5.519 35 HA SER 6 HA SER 6 8.009 -0.528 -7.814 36 HB2 SER 6 2HB SER 6 10.241 -0.116 -8.201 37 HB3 SER 6 3HB SER 6 10.323 -0.612 -6.510 38 HG SER 6 HG SER 6 11.455 -2.275 -7.095 39 H ARG 7 H ARG 7 9.052 -3.871 -7.403 40 HA ARG 7 HA ARG 7 9.171 -4.529 -10.149 41 HB2 ARG 7 2HB ARG 7 10.121 -5.824 -8.145 42 HB3 ARG 7 3HB ARG 7 8.501 -6.480 -7.957 43 HG2 ARG 7 2HG ARG 7 9.141 -6.815 -10.659 44 HG3 ARG 7 3HG ARG 7 10.588 -7.268 -9.757 45 HD2 ARG 7 2HD ARG 7 7.848 -8.290 -9.056 46 HD3 ARG 7 3HD ARG 7 8.902 -9.110 -10.207 47 HE ARG 7 HE ARG 7 10.354 -8.683 -7.863 48 HH11 ARG 7 1HH1 ARG 7 7.602 -10.513 -8.962 49 HH12 ARG 7 2HH1 ARG 7 7.829 -11.791 -7.814 50 HH21 ARG 7 1HH2 ARG 7 10.663 -10.360 -6.347 51 HH22 ARG 7 2HH2 ARG 7 9.570 -11.702 -6.327 52 H ASP 8 H ASP 8 6.672 -5.297 -7.720 53 HA ASP 8 HA ASP 8 4.804 -6.404 -9.451 54 HB2 ASP 8 2HB ASP 8 4.856 -6.147 -6.820 55 HB3 ASP 8 3HB ASP 8 3.853 -4.740 -7.159 56 H TRP 9 H TRP 9 5.154 -3.025 -8.414 57 HA TRP 9 HA TRP 9 2.955 -2.040 -9.890 58 HB2 TRP 9 2HB TRP 9 5.184 -0.914 -8.349 59 HB3 TRP 9 3HB TRP 9 4.662 0.107 -9.686 60 HD1 TRP 9 HD1 TRP 9 3.677 -0.987 -6.227 61 HE1 TRP 9 HE1 TRP 9 1.490 0.186 -5.541 62 HE3 TRP 9 HE3 TRP 9 2.365 0.997 -10.752 63 HZ2 TRP 9 HZ2 TRP 9 -0.524 1.744 -6.758 64 HZ3 TRP 9 HZ3 TRP 9 0.294 2.315 -10.907 65 HH2 TRP 9 HH2 TRP 9 -1.121 2.679 -8.949 66 H LYS 10 H LYS 10 6.371 -2.441 -10.658 67 HA LYS 10 HA LYS 10 6.506 -0.992 -13.024 68 HB2 LYS 10 2HB LYS 10 8.509 -1.863 -12.029 69 HB3 LYS 10 3HB LYS 10 7.935 -3.517 -12.190 70 HG2 LYS 10 2HG LYS 10 8.158 -3.437 -14.567 71 HG3 LYS 10 3HG LYS 10 8.512 -1.708 -14.524 72 HD2 LYS 10 2HD LYS 10 10.547 -2.236 -13.175 73 HD3 LYS 10 3HD LYS 10 10.216 -3.949 -13.439 74 HE2 LYS 10 2HE LYS 10 10.091 -2.835 -15.974 75 HE3 LYS 10 3HE LYS 10 11.436 -1.994 -15.204 76 HZ1 LYS 10 1HZ LYS 10 11.857 -4.212 -16.426 77 HZ2 LYS 10 2HZ LYS 10 11.244 -4.926 -15.021 78 HZ3 LYS 10 3HZ LYS 10 12.614 -3.936 -14.938 79 H MET 11 H MET 11 5.491 -4.346 -12.493 80 HA MET 11 HA MET 11 5.088 -4.944 -15.239 81 HB2 MET 11 2HB MET 11 4.477 -6.237 -12.646 82 HB3 MET 11 3HB MET 11 3.469 -6.715 -14.005 83 HG2 MET 11 2HG MET 11 6.399 -6.677 -14.428 84 HG3 MET 11 3HG MET 11 5.734 -7.947 -13.402 85 HE1 MET 11 1HE MET 11 5.163 -10.558 -15.676 86 HE2 MET 11 2HE MET 11 5.382 -9.899 -14.055 87 HE3 MET 11 3HE MET 11 3.767 -9.985 -14.762 88 H ALA 12 H ALA 12 2.906 -3.934 -12.628 89 HA ALA 12 HA ALA 12 0.509 -4.055 -14.069 90 HB1 ALA 12 1HB ALA 12 0.886 -3.713 -11.553 91 HB2 ALA 12 2HB ALA 12 1.017 -1.999 -11.947 92 HB3 ALA 12 3HB ALA 12 -0.469 -2.876 -12.311 93 H ILE 13 H ILE 13 2.772 -1.355 -13.598 94 HA ILE 13 HA ILE 13 1.335 0.596 -14.985 95 HB ILE 13 HB ILE 13 4.332 0.310 -14.740 96 HG12 ILE 13 2HG1 ILE 13 2.742 2.246 -13.132 97 HG13 ILE 13 3HG1 ILE 13 2.646 0.547 -12.680 98 HG21 ILE 13 1HG2 ILE 13 4.063 2.909 -14.973 99 HG22 ILE 13 2HG2 ILE 13 4.142 1.880 -16.401 100 HG23 ILE 13 3HG2 ILE 13 2.583 2.464 -15.821 101 HD11 ILE 13 1HD1 ILE 13 5.071 2.312 -12.749 102 HD12 ILE 13 2HD1 ILE 13 4.348 1.494 -11.363 103 HD13 ILE 13 3HD1 ILE 13 5.166 0.556 -12.613 104 H LYS 14 H LYS 14 3.888 -1.588 -16.160 105 HA LYS 14 HA LYS 14 4.014 -0.735 -18.789 106 HB2 LYS 14 2HB LYS 14 5.318 -2.608 -17.428 107 HB3 LYS 14 3HB LYS 14 4.173 -3.662 -18.250 108 HG2 LYS 14 2HG LYS 14 5.938 -3.679 -19.711 109 HG3 LYS 14 3HG LYS 14 4.951 -2.378 -20.380 110 HD2 LYS 14 2HD LYS 14 6.355 -0.713 -19.486 111 HD3 LYS 14 3HD LYS 14 7.152 -1.854 -18.400 112 HE2 LYS 14 2HE LYS 14 8.726 -1.582 -20.073 113 HE3 LYS 14 3HE LYS 14 7.879 -3.039 -20.590 114 HZ1 LYS 14 1HZ LYS 14 7.374 -0.291 -21.601 115 HZ2 LYS 14 2HZ LYS 14 6.550 -1.684 -22.092 116 HZ3 LYS 14 3HZ LYS 14 8.199 -1.513 -22.430 117 H ARG 15 H ARG 15 1.792 -3.052 -17.304 118 HA ARG 15 HA ARG 15 0.522 -3.925 -19.644 119 HB2 ARG 15 2HB ARG 15 0.158 -4.214 -16.817 120 HB3 ARG 15 3HB ARG 15 -1.397 -3.861 -17.559 121 HG2 ARG 15 2HG ARG 15 -1.479 -6.077 -17.868 122 HG3 ARG 15 3HG ARG 15 -0.447 -5.736 -19.259 123 HD2 ARG 15 2HD ARG 15 1.446 -5.931 -17.401 124 HD3 ARG 15 3HD ARG 15 0.226 -6.946 -16.634 125 HE ARG 15 HE ARG 15 1.781 -7.570 -18.962 126 HH11 ARG 15 1HH1 ARG 15 -1.202 -8.189 -17.279 127 HH12 ARG 15 2HH1 ARG 15 -1.433 -9.750 -17.994 128 HH21 ARG 15 1HH2 ARG 15 1.490 -9.624 -19.909 129 HH22 ARG 15 2HH2 ARG 15 0.099 -10.566 -19.488 130 H CYS 16 H CYS 16 -0.284 -1.263 -17.434 131 HA CYS 16 HA CYS 16 -2.642 -0.429 -18.663 132 HB2 CYS 16 2HB CYS 16 -0.606 1.342 -17.297 133 HB3 CYS 16 3HB CYS 16 -2.316 1.689 -17.524 134 HG CYS 16 HG CYS 16 -0.847 0.152 -15.042 135 H SER 17 H SER 17 0.716 0.316 -19.406 136 HA SER 17 HA SER 17 0.420 2.437 -21.145 137 HB2 SER 17 2HB SER 17 2.356 0.238 -21.793 138 HB3 SER 17 3HB SER 17 2.581 1.983 -21.895 139 HG SER 17 HG SER 17 3.682 1.280 -20.104 140 H ASN 18 H ASN 18 -0.304 -0.936 -21.643 141 HA ASN 18 HA ASN 18 -0.377 -1.076 -24.414 142 HB2 ASN 18 2HB ASN 18 -0.825 -2.877 -22.530 143 HB3 ASN 18 3HB ASN 18 -2.507 -2.453 -22.832 144 HD21 ASN 18 1HD2 ASN 18 0.330 -3.980 -24.065 145 HD22 ASN 18 2HD2 ASN 18 -0.399 -4.684 -25.464 146 H VAL 19 H VAL 19 -2.718 0.252 -22.158 147 HA VAL 19 HA VAL 19 -4.957 0.495 -23.749 148 HB VAL 19 HB VAL 19 -3.976 2.581 -21.795 149 HG11 VAL 19 1HG1 VAL 19 -5.775 3.509 -22.979 150 HG12 VAL 19 2HG1 VAL 19 -6.656 1.981 -23.011 151 HG13 VAL 19 3HG1 VAL 19 -6.494 2.876 -21.500 152 HG21 VAL 19 1HG2 VAL 19 -5.965 0.861 -20.703 153 HG22 VAL 19 2HG2 VAL 19 -4.653 -0.130 -21.343 154 HG23 VAL 19 3HG2 VAL 19 -4.310 1.125 -20.152 155 H ALA 20 H ALA 20 -5.502 1.649 -25.489 156 HA ALA 20 HA ALA 20 -3.557 3.133 -26.921 157 HB1 ALA 20 1HB ALA 20 -5.409 3.646 -28.472 158 HB2 ALA 20 2HB ALA 20 -5.289 1.928 -28.092 159 HB3 ALA 20 3HB ALA 20 -6.536 2.914 -27.330 160 H VAL 21 H VAL 21 -3.215 5.291 -27.116 161 HA VAL 21 HA VAL 21 -3.888 7.023 -25.045 162 HB VAL 21 HB VAL 21 -3.185 7.888 -27.849 163 HG11 VAL 21 1HG1 VAL 21 -2.107 9.779 -26.635 164 HG12 VAL 21 2HG1 VAL 21 -3.864 9.727 -26.471 165 HG13 VAL 21 3HG1 VAL 21 -2.835 9.177 -25.147 166 HG21 VAL 21 1HG2 VAL 21 -0.814 7.915 -26.749 167 HG22 VAL 21 2HG2 VAL 21 -1.511 6.697 -25.681 168 HG23 VAL 21 3HG2 VAL 21 -1.461 6.418 -27.422 169 H GLY 22 H GLY 22 -5.626 6.199 -27.932 170 HA2 GLY 22 2HA GLY 22 -7.887 6.594 -28.344 171 HA3 GLY 22 3HA GLY 22 -7.910 7.725 -26.998 172 H VAL 23 H VAL 23 -9.270 8.831 -28.739 173 HA VAL 23 HA VAL 23 -9.528 10.645 -30.091 174 HB VAL 23 HB VAL 23 -6.577 11.177 -29.811 175 HG11 VAL 23 1HG1 VAL 23 -8.965 12.710 -30.664 176 HG12 VAL 23 2HG1 VAL 23 -7.725 13.577 -29.755 177 HG13 VAL 23 3HG1 VAL 23 -7.308 12.766 -31.265 178 HG21 VAL 23 1HG2 VAL 23 -8.795 11.665 -27.846 179 HG22 VAL 23 2HG2 VAL 23 -7.240 10.880 -27.575 180 HG23 VAL 23 3HG2 VAL 23 -7.314 12.622 -27.843 181 H GLY 24 H GLY 24 -9.358 8.315 -31.416 182 HA2 GLY 24 2HA GLY 24 -9.218 8.510 -33.949 183 HA3 GLY 24 3HA GLY 24 -7.513 8.826 -33.662 184 H GLY 25 H GLY 25 -6.243 7.134 -33.985 185 HA2 GLY 25 2HA GLY 25 -6.361 4.682 -32.778 186 HA3 GLY 25 3HA GLY 25 -7.330 4.489 -34.232 187 H LYS 26 H LYS 26 -6.144 3.335 -35.609 188 HA LYS 26 HA LYS 26 -4.495 2.815 -37.093 189 HB2 LYS 26 2HB LYS 26 -4.199 5.636 -36.670 190 HB3 LYS 26 3HB LYS 26 -2.604 4.906 -36.806 191 HG2 LYS 26 2HG LYS 26 -4.757 4.315 -38.803 192 HG3 LYS 26 3HG LYS 26 -3.742 5.752 -38.938 193 HD2 LYS 26 2HD LYS 26 -1.752 4.182 -38.767 194 HD3 LYS 26 3HD LYS 26 -2.901 2.864 -39.009 195 HE2 LYS 26 2HE LYS 26 -3.439 3.577 -41.170 196 HE3 LYS 26 3HE LYS 26 -2.779 5.189 -40.900 197 HZ1 LYS 26 1HZ LYS 26 -1.501 3.030 -42.057 198 HZ2 LYS 26 2HZ LYS 26 -0.766 3.232 -40.547 199 HZ3 LYS 26 3HZ LYS 26 -0.817 4.521 -41.642 200 H SER 27 H SER 27 -2.566 4.667 -34.751 201 HA SER 27 HA SER 27 -1.580 2.338 -33.420 202 HB2 SER 27 2HB SER 27 0.865 3.235 -34.301 203 HB3 SER 27 3HB SER 27 0.018 1.820 -34.929 204 HG SER 27 HG SER 27 0.732 3.482 -36.496 205 H LYS 28 H LYS 28 -2.126 3.458 -31.562 206 HA LYS 28 HA LYS 28 -0.166 5.421 -30.702 207 HB2 LYS 28 2HB LYS 28 -2.829 6.162 -31.504 208 HB3 LYS 28 3HB LYS 28 -2.620 6.470 -29.786 209 HG2 LYS 28 2HG LYS 28 -1.664 8.387 -30.353 210 HG3 LYS 28 3HG LYS 28 -0.293 7.441 -30.937 211 HD2 LYS 28 2HD LYS 28 -0.902 7.656 -33.127 212 HD3 LYS 28 3HD LYS 28 -2.624 7.761 -32.751 213 HE2 LYS 28 2HE LYS 28 -0.842 9.969 -31.856 214 HE3 LYS 28 3HE LYS 28 -1.247 9.865 -33.568 215 HZ1 LYS 28 1HZ LYS 28 -3.473 10.220 -33.152 216 HZ2 LYS 28 2HZ LYS 28 -2.746 11.232 -32.009 217 HZ3 LYS 28 3HZ LYS 28 -3.374 9.734 -31.533 218 H LYS 29 H LYS 29 0.584 4.409 -28.954 219 HA LYS 29 HA LYS 29 -1.370 3.311 -27.039 220 HB2 LYS 29 2HB LYS 29 1.398 2.397 -27.785 221 HB3 LYS 29 3HB LYS 29 0.664 1.932 -26.255 222 HG2 LYS 29 2HG LYS 29 -1.254 0.996 -27.562 223 HG3 LYS 29 3HG LYS 29 -0.316 1.295 -29.027 224 HD2 LYS 29 2HD LYS 29 1.431 -0.186 -28.264 225 HD3 LYS 29 3HD LYS 29 0.619 -0.400 -26.712 226 HE2 LYS 29 2HE LYS 29 -0.550 -1.187 -29.376 227 HE3 LYS 29 3HE LYS 29 0.291 -2.292 -28.291 228 HZ1 LYS 29 1HZ LYS 29 -1.603 -1.056 -26.736 229 HZ2 LYS 29 2HZ LYS 29 -1.664 -2.637 -27.334 230 HZ3 LYS 29 3HZ LYS 29 -2.400 -1.378 -28.192 231 H PHE 30 H PHE 30 -1.230 3.891 -24.918 232 HA PHE 30 HA PHE 30 -0.060 6.339 -24.246 233 HB2 PHE 30 2HB PHE 30 -1.639 4.313 -22.924 234 HB3 PHE 30 3HB PHE 30 -0.396 4.928 -21.840 235 HD1 PHE 30 HD1 PHE 30 -3.672 5.329 -22.714 236 HD2 PHE 30 HD2 PHE 30 -0.149 7.645 -22.130 237 HE1 PHE 30 HE1 PHE 30 -5.055 7.313 -22.265 238 HE2 PHE 30 HE2 PHE 30 -1.527 9.633 -21.679 239 HZ PHE 30 HZ PHE 30 -3.984 9.468 -21.745 240 H GLY 31 H GLY 31 2.031 6.790 -24.079 241 HA2 GLY 31 2HA GLY 31 3.963 4.703 -23.526 242 HA3 GLY 31 3HA GLY 31 4.317 6.379 -23.914 243 H GLU 32 H GLU 32 5.827 5.320 -22.011 244 HA GLU 32 HA GLU 32 4.839 5.400 -19.383 245 HB2 GLU 32 2HB GLU 32 7.443 5.225 -20.683 246 HB3 GLU 32 3HB GLU 32 7.504 6.135 -19.180 247 HG2 GLU 32 2HG GLU 32 6.004 3.615 -19.055 248 HG3 GLU 32 3HG GLU 32 7.733 3.453 -19.356 249 H GLY 33 H GLY 33 6.453 7.885 -21.344 250 HA2 GLY 33 2HA GLY 33 6.600 9.891 -19.409 251 HA3 GLY 33 3HA GLY 33 6.510 10.170 -21.142 252 H ASN 34 H ASN 34 3.950 9.038 -21.589 253 HA ASN 34 HA ASN 34 2.322 11.269 -20.947 254 HB2 ASN 34 2HB ASN 34 1.666 8.562 -22.120 255 HB3 ASN 34 3HB ASN 34 0.478 9.848 -21.935 256 HD21 ASN 34 1HD2 ASN 34 2.880 8.529 -23.886 257 HD22 ASN 34 2HD2 ASN 34 2.982 9.799 -25.053 258 H PHE 35 H PHE 35 2.086 7.852 -19.947 259 HA PHE 35 HA PHE 35 0.006 8.109 -18.142 260 HB2 PHE 35 2HB PHE 35 2.050 6.144 -18.736 261 HB3 PHE 35 3HB PHE 35 1.716 6.205 -17.008 262 HD1 PHE 35 HD1 PHE 35 -0.918 6.362 -16.481 263 HD2 PHE 35 HD2 PHE 35 0.831 4.650 -19.963 264 HE1 PHE 35 HE1 PHE 35 -2.938 5.000 -16.822 265 HE2 PHE 35 HE2 PHE 35 -1.186 3.285 -20.310 266 HZ PHE 35 HZ PHE 35 -3.075 3.460 -18.739 267 H ARG 36 H ARG 36 3.349 9.005 -17.809 268 HA ARG 36 HA ARG 36 3.301 9.268 -14.956 269 HB2 ARG 36 2HB ARG 36 5.249 9.464 -17.056 270 HB3 ARG 36 3HB ARG 36 5.353 10.888 -16.030 271 HG2 ARG 36 2HG ARG 36 5.821 9.607 -14.117 272 HG3 ARG 36 3HG ARG 36 5.327 8.107 -14.906 273 HD2 ARG 36 2HD ARG 36 7.278 8.874 -16.579 274 HD3 ARG 36 3HD ARG 36 7.866 9.610 -15.089 275 HE ARG 36 HE ARG 36 7.096 6.845 -14.824 276 HH11 ARG 36 1HH1 ARG 36 9.668 9.061 -15.595 277 HH12 ARG 36 2HH1 ARG 36 10.928 7.934 -15.219 278 HH21 ARG 36 1HH2 ARG 36 8.746 5.352 -14.325 279 HH22 ARG 36 2HH2 ARG 36 10.403 5.824 -14.498 280 H TRP 37 H TRP 37 3.268 11.583 -17.660 281 HA TRP 37 HA TRP 37 3.100 13.928 -16.186 282 HB2 TRP 37 2HB TRP 37 3.493 14.126 -18.513 283 HB3 TRP 37 3HB TRP 37 2.051 13.196 -18.915 284 HD1 TRP 37 HD1 TRP 37 3.223 16.709 -18.185 285 HE1 TRP 37 HE1 TRP 37 1.260 18.345 -18.491 286 HE3 TRP 37 HE3 TRP 37 -0.585 13.329 -18.644 287 HZ2 TRP 37 HZ2 TRP 37 -1.534 18.219 -18.877 288 HZ3 TRP 37 HZ3 TRP 37 -2.874 14.169 -18.978 289 HH2 TRP 37 HH2 TRP 37 -3.337 16.564 -19.091 290 H ALA 38 H ALA 38 0.651 11.558 -16.909 291 HA ALA 38 HA ALA 38 -1.557 13.222 -16.112 292 HB1 ALA 38 1HB ALA 38 -2.533 11.699 -17.417 293 HB2 ALA 38 2HB ALA 38 -1.197 10.561 -17.232 294 HB3 ALA 38 3HB ALA 38 -2.472 10.629 -16.015 295 H ILE 39 H ILE 39 -0.350 10.146 -14.761 296 HA ILE 39 HA ILE 39 -1.673 10.247 -12.345 297 HB ILE 39 HB ILE 39 -0.447 8.270 -13.091 298 HG12 ILE 39 2HG1 ILE 39 1.047 8.540 -10.651 299 HG13 ILE 39 3HG1 ILE 39 -0.526 9.309 -10.461 300 HG21 ILE 39 1HG2 ILE 39 1.850 8.118 -13.276 301 HG22 ILE 39 2HG2 ILE 39 1.542 9.754 -13.857 302 HG23 ILE 39 3HG2 ILE 39 2.132 9.497 -12.214 303 HD11 ILE 39 1HD1 ILE 39 -0.003 6.466 -11.292 304 HD12 ILE 39 2HD1 ILE 39 -0.650 7.021 -9.749 305 HD13 ILE 39 3HD1 ILE 39 -1.594 7.223 -11.224 306 H ARG 40 H ARG 40 1.338 11.809 -13.275 307 HA ARG 40 HA ARG 40 2.030 12.683 -10.650 308 HB2 ARG 40 2HB ARG 40 2.924 13.558 -13.396 309 HB3 ARG 40 3HB ARG 40 3.566 14.254 -11.915 310 HG2 ARG 40 2HG ARG 40 3.629 11.320 -12.050 311 HG3 ARG 40 3HG ARG 40 4.659 12.159 -13.212 312 HD2 ARG 40 2HD ARG 40 5.336 13.565 -11.094 313 HD3 ARG 40 3HD ARG 40 4.774 12.132 -10.234 314 HE ARG 40 HE ARG 40 6.610 11.537 -12.358 315 HH11 ARG 40 1HH1 ARG 40 6.321 12.482 -9.020 316 HH12 ARG 40 2HH1 ARG 40 7.875 11.861 -8.574 317 HH21 ARG 40 1HH2 ARG 40 8.659 10.716 -11.785 318 HH22 ARG 40 2HH2 ARG 40 9.204 10.858 -10.147 319 H MET 41 H MET 41 0.950 14.564 -13.488 320 HA MET 41 HA MET 41 0.468 16.956 -12.196 321 HB2 MET 41 2HB MET 41 0.434 16.795 -14.609 322 HB3 MET 41 3HB MET 41 -0.977 15.747 -14.559 323 HG2 MET 41 2HG MET 41 -2.360 17.476 -14.507 324 HG3 MET 41 3HG MET 41 -1.475 18.230 -13.182 325 HE1 MET 41 1HE MET 41 -0.163 20.691 -13.688 326 HE2 MET 41 2HE MET 41 0.828 19.241 -13.537 327 HE3 MET 41 3HE MET 41 1.146 20.395 -14.833 328 H ALA 42 H ALA 42 -1.464 14.056 -12.257 329 HA ALA 42 HA ALA 42 -3.884 15.208 -11.317 330 HB1 ALA 42 1HB ALA 42 -4.104 12.652 -10.514 331 HB2 ALA 42 2HB ALA 42 -4.383 13.181 -12.173 332 HB3 ALA 42 3HB ALA 42 -2.827 12.485 -11.720 333 H ASN 43 H ASN 43 -1.333 13.349 -9.656 334 HA ASN 43 HA ASN 43 -2.389 13.526 -7.080 335 HB2 ASN 43 2HB ASN 43 0.540 13.429 -7.838 336 HB3 ASN 43 3HB ASN 43 -0.157 12.959 -6.290 337 HD21 ASN 43 1HD2 ASN 43 1.433 11.359 -8.059 338 HD22 ASN 43 2HD2 ASN 43 0.466 10.005 -8.520 339 H VAL 44 H VAL 44 -0.001 15.616 -8.689 340 HA VAL 44 HA VAL 44 0.435 17.387 -6.574 341 HB VAL 44 HB VAL 44 0.505 18.010 -9.531 342 HG11 VAL 44 1HG1 VAL 44 0.570 20.081 -8.473 343 HG12 VAL 44 2HG1 VAL 44 1.495 19.462 -7.103 344 HG13 VAL 44 3HG1 VAL 44 2.275 19.678 -8.671 345 HG21 VAL 44 1HG2 VAL 44 2.145 16.312 -7.914 346 HG22 VAL 44 2HG2 VAL 44 2.268 16.662 -9.638 347 HG23 VAL 44 3HG2 VAL 44 3.094 17.690 -8.468 348 H SER 45 H SER 45 -1.921 17.541 -9.227 349 HA SER 45 HA SER 45 -3.035 20.021 -8.667 350 HB2 SER 45 2HB SER 45 -4.270 17.528 -9.845 351 HB3 SER 45 3HB SER 45 -5.117 19.073 -9.765 352 HG SER 45 HG SER 45 -3.638 19.958 -11.135 353 H THR 46 H THR 46 -3.392 16.996 -7.021 354 HA THR 46 HA THR 46 -5.660 17.978 -5.460 355 HB THR 46 HB THR 46 -5.175 15.562 -4.373 356 HG1 THR 46 HG1 THR 46 -3.682 14.636 -5.569 357 HG21 THR 46 1HG2 THR 46 -6.571 15.600 -7.016 358 HG22 THR 46 2HG2 THR 46 -7.200 16.580 -5.690 359 HG23 THR 46 3HG2 THR 46 -7.052 14.832 -5.503 360 H GLY 47 H GLY 47 -2.244 17.509 -5.250 361 HA2 GLY 47 2HA GLY 47 -0.846 18.456 -3.629 362 HA3 GLY 47 3HA GLY 47 -2.248 18.710 -2.600 363 H ARG 48 H ARG 48 -0.895 15.788 -4.121 364 HA ARG 48 HA ARG 48 -0.581 14.646 -1.426 365 HB2 ARG 48 2HB ARG 48 -2.578 13.828 -2.923 366 HB3 ARG 48 3HB ARG 48 -1.325 12.910 -3.747 367 HG2 ARG 48 2HG ARG 48 -0.853 11.628 -1.856 368 HG3 ARG 48 3HG ARG 48 -1.663 12.763 -0.775 369 HD2 ARG 48 2HD ARG 48 -3.816 12.153 -1.681 370 HD3 ARG 48 3HD ARG 48 -3.051 11.112 -2.881 371 HE ARG 48 HE ARG 48 -2.876 9.481 -1.291 372 HH11 ARG 48 1HH1 ARG 48 -3.440 12.535 0.283 373 HH12 ARG 48 2HH1 ARG 48 -3.630 11.837 1.857 374 HH21 ARG 48 1HH2 ARG 48 -3.126 8.550 0.777 375 HH22 ARG 48 2HH2 ARG 48 -3.450 9.570 2.137 376 H GLU 49 H GLU 49 1.526 15.871 -2.600 377 HA GLU 49 HA GLU 49 3.720 15.560 -3.116 378 HB2 GLU 49 2HB GLU 49 3.288 12.597 -2.784 379 HB3 GLU 49 3HB GLU 49 4.768 13.514 -2.541 380 HG2 GLU 49 2HG GLU 49 3.734 14.619 -0.599 381 HG3 GLU 49 3HG GLU 49 2.300 13.619 -0.823 382 HA PRO 50 HA PRO 50 3.863 14.688 -7.415 383 HB2 PRO 50 2HB PRO 50 6.521 14.271 -7.774 384 HB3 PRO 50 3HB PRO 50 5.832 15.870 -7.465 385 HG2 PRO 50 2HG PRO 50 7.165 13.980 -5.563 386 HG3 PRO 50 3HG PRO 50 7.355 15.737 -5.711 387 HD2 PRO 50 2HD PRO 50 5.805 14.595 -3.808 388 HD3 PRO 50 3HD PRO 50 5.424 16.172 -4.529 389 H GLY 51 H GLY 51 5.936 12.469 -5.533 390 HA2 GLY 51 2HA GLY 51 5.477 10.347 -7.470 391 HA3 GLY 51 3HA GLY 51 6.536 10.271 -6.070 392 H ASP 52 H ASP 52 3.050 10.801 -6.615 393 HA ASP 52 HA ASP 52 2.480 9.085 -4.321 394 HB2 ASP 52 2HB ASP 52 1.375 11.442 -5.044 395 HB3 ASP 52 3HB ASP 52 0.253 10.331 -5.824 396 H ILE 53 H ILE 53 2.689 6.998 -4.971 397 HA ILE 53 HA ILE 53 1.088 6.149 -7.295 398 HB ILE 53 HB ILE 53 3.440 4.699 -6.078 399 HG12 ILE 53 2HG1 ILE 53 4.091 6.834 -7.161 400 HG13 ILE 53 3HG1 ILE 53 4.717 5.429 -8.015 401 HG21 ILE 53 1HG2 ILE 53 2.932 3.908 -8.736 402 HG22 ILE 53 2HG2 ILE 53 2.743 2.959 -7.262 403 HG23 ILE 53 3HG2 ILE 53 1.385 3.895 -7.889 404 HD11 ILE 53 1HD1 ILE 53 3.808 7.260 -9.457 405 HD12 ILE 53 2HD1 ILE 53 3.117 5.663 -9.743 406 HD13 ILE 53 3HD1 ILE 53 2.209 6.865 -8.826 407 HA PRO 54 HA PRO 54 -0.942 4.386 -3.507 408 HB2 PRO 54 2HB PRO 54 -3.469 4.970 -4.306 409 HB3 PRO 54 3HB PRO 54 -2.453 6.114 -3.421 410 HG2 PRO 54 2HG PRO 54 -3.006 5.950 -6.359 411 HG3 PRO 54 3HG PRO 54 -2.937 7.379 -5.312 412 HD2 PRO 54 2HD PRO 54 -0.885 6.653 -6.921 413 HD3 PRO 54 3HD PRO 54 -0.634 7.459 -5.359 414 H GLU 55 H GLU 55 -1.411 2.280 -3.455 415 HA GLU 55 HA GLU 55 -2.211 0.969 -5.962 416 HB2 GLU 55 2HB GLU 55 -0.096 0.361 -4.423 417 HB3 GLU 55 3HB GLU 55 -1.307 -0.645 -3.641 418 HG2 GLU 55 2HG GLU 55 -1.791 -1.736 -5.760 419 HG3 GLU 55 3HG GLU 55 -0.608 -0.710 -6.568 420 H THR 56 H THR 56 -4.259 2.229 -4.748 421 HA THR 56 HA THR 56 -5.910 -0.011 -3.867 422 HB THR 56 HB THR 56 -6.803 1.084 -1.950 423 HG1 THR 56 HG1 THR 56 -6.628 3.191 -1.626 424 HG21 THR 56 1HG2 THR 56 -4.856 1.320 -0.503 425 HG22 THR 56 2HG2 THR 56 -3.808 1.477 -1.912 426 HG23 THR 56 3HG2 THR 56 -4.643 -0.044 -1.600 427 H LEU 57 H LEU 57 -7.797 -0.001 -4.900 428 HA LEU 57 HA LEU 57 -8.493 1.841 -6.849 429 HB2 LEU 57 2HB LEU 57 -10.346 0.050 -5.283 430 HB3 LEU 57 3HB LEU 57 -10.705 0.805 -6.834 431 HG LEU 57 HG LEU 57 -8.307 -0.893 -6.820 432 HD11 LEU 57 1HD1 LEU 57 -11.041 -2.113 -6.465 433 HD12 LEU 57 2HD1 LEU 57 -9.718 -2.181 -5.301 434 HD13 LEU 57 3HD1 LEU 57 -9.560 -2.984 -6.864 435 HD21 LEU 57 1HD2 LEU 57 -9.011 -1.429 -8.972 436 HD22 LEU 57 2HD2 LEU 57 -9.538 0.244 -8.775 437 HD23 LEU 57 3HD2 LEU 57 -10.701 -1.074 -8.614 438 H ASP 58 H ASP 58 -9.072 1.906 -3.428 439 HA ASP 58 HA ASP 58 -11.176 3.812 -3.425 440 HB2 ASP 58 2HB ASP 58 -9.167 3.045 -1.300 441 HB3 ASP 58 3HB ASP 58 -10.520 4.137 -1.022 442 H GLN 59 H GLN 59 -7.660 4.101 -3.009 443 HA GLN 59 HA GLN 59 -7.629 6.896 -2.635 444 HB2 GLN 59 2HB GLN 59 -5.560 4.879 -3.451 445 HB3 GLN 59 3HB GLN 59 -5.184 6.597 -3.464 446 HG2 GLN 59 2HG GLN 59 -5.698 6.755 -1.102 447 HG3 GLN 59 3HG GLN 59 -6.155 5.052 -1.071 448 HE21 GLN 59 1HE2 GLN 59 -4.259 3.749 -2.328 449 HE22 GLN 59 2HE2 GLN 59 -2.708 4.000 -1.611 450 H LEU 60 H LEU 60 -7.642 4.881 -5.492 451 HA LEU 60 HA LEU 60 -6.947 6.976 -7.314 452 HB2 LEU 60 2HB LEU 60 -7.878 4.164 -7.530 453 HB3 LEU 60 3HB LEU 60 -8.086 5.209 -8.933 454 HG LEU 60 HG LEU 60 -6.023 3.805 -8.968 455 HD11 LEU 60 1HD1 LEU 60 -4.531 5.652 -9.655 456 HD12 LEU 60 2HD1 LEU 60 -5.683 6.799 -8.974 457 HD13 LEU 60 3HD1 LEU 60 -6.153 5.781 -10.335 458 HD21 LEU 60 1HD2 LEU 60 -5.085 5.657 -6.783 459 HD22 LEU 60 2HD2 LEU 60 -4.172 4.354 -7.544 460 HD23 LEU 60 3HD2 LEU 60 -5.566 3.979 -6.530 461 H ARG 61 H ARG 61 -9.994 5.207 -6.744 462 HA ARG 61 HA ARG 61 -11.650 6.713 -8.358 463 HB2 ARG 61 2HB ARG 61 -13.493 5.866 -7.081 464 HB3 ARG 61 3HB ARG 61 -12.268 4.607 -7.157 465 HG2 ARG 61 2HG ARG 61 -11.560 5.094 -4.906 466 HG3 ARG 61 3HG ARG 61 -12.670 6.464 -4.824 467 HD2 ARG 61 2HD ARG 61 -13.706 3.728 -5.437 468 HD3 ARG 61 3HD ARG 61 -13.346 4.181 -3.772 469 HE ARG 61 HE ARG 61 -14.987 6.111 -5.092 470 HH11 ARG 61 1HH1 ARG 61 -15.017 3.043 -3.445 471 HH12 ARG 61 2HH1 ARG 61 -16.668 3.186 -2.937 472 HH21 ARG 61 1HH2 ARG 61 -17.159 6.310 -4.429 473 HH22 ARG 61 2HH2 ARG 61 -17.885 5.045 -3.497 474 H LEU 62 H LEU 62 -10.430 7.437 -5.157 475 HA LEU 62 HA LEU 62 -12.175 9.631 -4.647 476 HB2 LEU 62 2HB LEU 62 -10.693 8.210 -3.033 477 HB3 LEU 62 3HB LEU 62 -9.458 9.404 -3.428 478 HG LEU 62 HG LEU 62 -10.595 9.919 -1.323 479 HD11 LEU 62 1HD1 LEU 62 -11.426 11.944 -3.379 480 HD12 LEU 62 2HD1 LEU 62 -9.740 11.690 -2.930 481 HD13 LEU 62 3HD1 LEU 62 -10.907 12.214 -1.716 482 HD21 LEU 62 1HD2 LEU 62 -12.815 9.916 -1.047 483 HD22 LEU 62 2HD2 LEU 62 -12.860 9.017 -2.564 484 HD23 LEU 62 3HD2 LEU 62 -13.100 10.765 -2.566 485 H VAL 63 H VAL 63 -8.710 9.511 -5.495 486 HA VAL 63 HA VAL 63 -8.357 12.253 -5.868 487 HB VAL 63 HB VAL 63 -6.914 9.989 -7.255 488 HG11 VAL 63 1HG1 VAL 63 -5.172 12.121 -6.950 489 HG12 VAL 63 2HG1 VAL 63 -5.946 11.604 -8.450 490 HG13 VAL 63 3HG1 VAL 63 -6.681 12.872 -7.469 491 HG21 VAL 63 1HG2 VAL 63 -5.572 11.406 -5.081 492 HG22 VAL 63 2HG2 VAL 63 -7.009 10.520 -4.570 493 HG23 VAL 63 3HG2 VAL 63 -5.702 9.676 -5.397 494 H ILE 64 H ILE 64 -9.516 9.767 -8.068 495 HA ILE 64 HA ILE 64 -9.459 11.371 -10.414 496 HB ILE 64 HB ILE 64 -11.118 8.922 -9.803 497 HG12 ILE 64 2HG1 ILE 64 -8.701 8.960 -11.569 498 HG13 ILE 64 3HG1 ILE 64 -8.487 8.898 -9.823 499 HG21 ILE 64 1HG2 ILE 64 -11.159 10.735 -12.026 500 HG22 ILE 64 2HG2 ILE 64 -10.625 9.139 -12.554 501 HG23 ILE 64 3HG2 ILE 64 -12.167 9.320 -11.718 502 HD11 ILE 64 1HD1 ILE 64 -10.208 6.921 -10.026 503 HD12 ILE 64 2HD1 ILE 64 -9.587 6.862 -11.675 504 HD13 ILE 64 3HD1 ILE 64 -8.485 6.679 -10.311 505 H CYS 65 H CYS 65 -12.246 10.227 -8.495 506 HA CYS 65 HA CYS 65 -14.166 11.831 -9.710 507 HB2 CYS 65 2HB CYS 65 -14.448 9.882 -8.034 508 HB3 CYS 65 3HB CYS 65 -14.291 11.117 -6.790 509 HG CYS 65 HG CYS 65 -16.675 12.122 -6.975 510 H ASP 66 H ASP 66 -11.843 12.579 -7.221 511 HA ASP 66 HA ASP 66 -13.080 15.059 -6.455 512 HB2 ASP 66 2HB ASP 66 -11.689 13.780 -4.875 513 HB3 ASP 66 3HB ASP 66 -10.287 14.029 -5.913 514 H LEU 67 H LEU 67 -9.909 14.379 -7.944 515 HA LEU 67 HA LEU 67 -9.313 16.948 -8.754 516 HB2 LEU 67 2HB LEU 67 -7.655 15.241 -8.862 517 HB3 LEU 67 3HB LEU 67 -8.614 14.302 -10.004 518 HG LEU 67 HG LEU 67 -8.264 16.119 -11.681 519 HD11 LEU 67 1HD1 LEU 67 -7.799 17.985 -10.265 520 HD12 LEU 67 2HD1 LEU 67 -6.360 17.665 -11.234 521 HD13 LEU 67 3HD1 LEU 67 -6.415 17.162 -9.545 522 HD21 LEU 67 1HD2 LEU 67 -5.854 14.719 -10.536 523 HD22 LEU 67 2HD2 LEU 67 -5.873 15.539 -12.097 524 HD23 LEU 67 3HD2 LEU 67 -6.919 14.146 -11.819 525 H GLN 68 H GLN 68 -11.277 14.517 -10.382 526 HA GLN 68 HA GLN 68 -11.600 15.949 -12.808 527 HB2 GLN 68 2HB GLN 68 -12.012 13.587 -12.794 528 HB3 GLN 68 3HB GLN 68 -13.224 13.751 -11.529 529 HG2 GLN 68 2HG GLN 68 -14.805 14.625 -12.973 530 HG3 GLN 68 3HG GLN 68 -13.595 15.124 -14.154 531 HE21 GLN 68 1HE2 GLN 68 -13.608 13.964 -15.928 532 HE22 GLN 68 2HE2 GLN 68 -14.026 12.294 -16.058 533 H GLU 69 H GLU 69 -13.871 15.435 -10.103 534 HA GLU 69 HA GLU 69 -15.848 17.189 -10.993 535 HB2 GLU 69 2HB GLU 69 -16.263 15.587 -9.215 536 HB3 GLU 69 3HB GLU 69 -15.109 16.403 -8.171 537 HG2 GLU 69 2HG GLU 69 -16.539 18.394 -8.162 538 HG3 GLU 69 3HG GLU 69 -17.706 17.546 -9.175 539 H ARG 70 H ARG 70 -12.790 17.819 -9.534 540 HA ARG 70 HA ARG 70 -13.380 20.430 -8.546 541 HB2 ARG 70 2HB ARG 70 -11.103 18.655 -8.637 542 HB3 ARG 70 3HB ARG 70 -10.628 20.290 -9.080 543 HG2 ARG 70 2HG ARG 70 -11.717 21.100 -6.993 544 HG3 ARG 70 3HG ARG 70 -11.983 19.415 -6.541 545 HD2 ARG 70 2HD ARG 70 -9.570 19.015 -6.622 546 HD3 ARG 70 3HD ARG 70 -9.306 20.698 -7.079 547 HE ARG 70 HE ARG 70 -9.805 19.684 -4.450 548 HH11 ARG 70 1HH1 ARG 70 -10.167 22.452 -6.530 549 HH12 ARG 70 2HH1 ARG 70 -10.208 23.591 -5.224 550 HH21 ARG 70 1HH2 ARG 70 -9.858 21.172 -2.723 551 HH22 ARG 70 2HH2 ARG 70 -10.032 22.861 -3.060 552 H ARG 71 H ARG 71 -11.247 19.453 -11.237 553 HA ARG 71 HA ARG 71 -11.123 22.011 -12.391 554 HB2 ARG 71 2HB ARG 71 -9.849 19.621 -12.809 555 HB3 ARG 71 3HB ARG 71 -10.834 19.763 -14.259 556 HG2 ARG 71 2HG ARG 71 -9.066 20.902 -15.033 557 HG3 ARG 71 3HG ARG 71 -9.792 22.244 -14.146 558 HD2 ARG 71 2HD ARG 71 -8.234 20.737 -12.320 559 HD3 ARG 71 3HD ARG 71 -7.255 21.013 -13.760 560 HE ARG 71 HE ARG 71 -8.509 23.415 -12.988 561 HH11 ARG 71 1HH1 ARG 71 -5.978 21.238 -11.999 562 HH12 ARG 71 2HH1 ARG 71 -5.051 22.468 -11.206 563 HH21 ARG 71 1HH2 ARG 71 -7.297 25.043 -11.947 564 HH22 ARG 71 2HH2 ARG 71 -5.803 24.633 -11.177 565 H GLU 72 H GLU 72 -13.241 19.252 -13.007 566 HA GLU 72 HA GLU 72 -14.516 20.214 -15.303 567 HB2 GLU 72 2HB GLU 72 -14.703 17.894 -14.412 568 HB3 GLU 72 3HB GLU 72 -15.737 18.505 -13.129 569 HG2 GLU 72 2HG GLU 72 -16.537 19.155 -15.896 570 HG3 GLU 72 3HG GLU 72 -16.678 17.470 -15.399 571 H LYS 73 H LYS 73 -15.517 20.476 -11.894 572 HA LYS 73 HA LYS 73 -17.822 21.996 -12.318 573 HB2 LYS 73 2HB LYS 73 -17.386 20.933 -10.184 574 HB3 LYS 73 3HB LYS 73 -15.954 21.924 -9.943 575 HG2 LYS 73 2HG LYS 73 -17.215 23.856 -9.559 576 HG3 LYS 73 3HG LYS 73 -18.677 23.141 -10.240 577 HD2 LYS 73 2HD LYS 73 -17.867 21.465 -8.125 578 HD3 LYS 73 3HD LYS 73 -17.746 23.123 -7.531 579 HE2 LYS 73 2HE LYS 73 -20.173 21.956 -8.887 580 HE3 LYS 73 3HE LYS 73 -19.967 22.083 -7.142 581 HZ1 LYS 73 1HZ LYS 73 -20.432 24.199 -9.117 582 HZ2 LYS 73 2HZ LYS 73 -19.536 24.575 -7.733 583 HZ3 LYS 73 3HZ LYS 73 -21.116 23.989 -7.584 584 H PHE 74 H PHE 74 -14.454 22.943 -12.044 585 HA PHE 74 HA PHE 74 -15.019 25.757 -11.923 586 HB2 PHE 74 2HB PHE 74 -12.985 24.883 -10.904 587 HB3 PHE 74 3HB PHE 74 -12.440 24.271 -12.462 588 HD1 PHE 74 HD1 PHE 74 -11.037 25.563 -13.758 589 HD2 PHE 74 HD2 PHE 74 -13.422 27.442 -10.776 590 HE1 PHE 74 HE1 PHE 74 -9.898 27.699 -14.198 591 HE2 PHE 74 HE2 PHE 74 -12.287 29.581 -11.212 592 HZ PHE 74 HZ PHE 74 -10.524 29.712 -12.926 593 H GLY 75 H GLY 75 -14.605 23.402 -14.410 594 HA2 GLY 75 2HA GLY 75 -15.641 24.781 -16.493 595 HA3 GLY 75 3HA GLY 75 -13.967 25.318 -16.480 596 H SER 76 H SER 76 -14.100 24.323 -18.682 597 HA SER 76 HA SER 76 -13.610 21.420 -18.536 598 HB2 SER 76 2HB SER 76 -14.970 23.115 -20.592 599 HB3 SER 76 3HB SER 76 -14.124 21.660 -21.117 600 HG SER 76 HG SER 76 -16.527 21.739 -20.225 601 H SER 77 H SER 77 -11.750 20.612 -19.359 602 HA SER 77 HA SER 77 -10.047 22.177 -21.083 603 HB2 SER 77 2HB SER 77 -8.443 22.827 -19.625 604 HB3 SER 77 3HB SER 77 -9.703 22.629 -18.406 605 HG SER 77 HG SER 77 -7.645 21.511 -18.014 606 H LYS 78 H LYS 78 -8.774 20.905 -22.313 607 HA LYS 78 HA LYS 78 -9.179 18.104 -22.297 608 HB2 LYS 78 2HB LYS 78 -7.168 19.817 -23.763 609 HB3 LYS 78 3HB LYS 78 -7.385 18.096 -24.052 610 HG2 LYS 78 2HG LYS 78 -9.662 18.469 -24.777 611 HG3 LYS 78 3HG LYS 78 -9.523 20.188 -24.401 612 HD2 LYS 78 2HD LYS 78 -7.354 19.533 -26.085 613 HD3 LYS 78 3HD LYS 78 -8.794 18.802 -26.795 614 HE2 LYS 78 2HE LYS 78 -9.877 20.860 -27.004 615 HE3 LYS 78 3HE LYS 78 -8.805 21.646 -25.847 616 HZ1 LYS 78 1HZ LYS 78 -8.414 21.128 -28.683 617 HZ2 LYS 78 2HZ LYS 78 -7.052 20.948 -27.698 618 HZ3 LYS 78 3HZ LYS 78 -7.878 22.422 -27.734 619 H GLU 79 H GLU 79 -6.942 20.144 -20.683 620 HA GLU 79 HA GLU 79 -4.800 18.330 -20.352 621 HB2 GLU 79 2HB GLU 79 -5.624 20.550 -18.474 622 HB3 GLU 79 3HB GLU 79 -4.034 19.810 -18.599 623 HG2 GLU 79 2HG GLU 79 -4.288 20.641 -21.114 624 HG3 GLU 79 3HG GLU 79 -5.334 21.823 -20.329 625 H ILE 80 H ILE 80 -7.319 19.301 -18.015 626 HA ILE 80 HA ILE 80 -6.703 17.255 -16.162 627 HB ILE 80 HB ILE 80 -7.933 19.358 -15.606 628 HG12 ILE 80 2HG1 ILE 80 -9.823 17.921 -14.312 629 HG13 ILE 80 3HG1 ILE 80 -8.733 16.624 -14.790 630 HG21 ILE 80 1HG2 ILE 80 -10.186 19.678 -16.146 631 HG22 ILE 80 2HG2 ILE 80 -9.456 19.107 -17.646 632 HG23 ILE 80 3HG2 ILE 80 -10.398 18.001 -16.647 633 HD11 ILE 80 1HD1 ILE 80 -8.510 18.160 -12.541 634 HD12 ILE 80 2HD1 ILE 80 -7.221 17.196 -13.262 635 HD13 ILE 80 3HD1 ILE 80 -7.355 18.914 -13.640 636 H ASP 81 H ASP 81 -8.838 17.422 -18.924 637 HA ASP 81 HA ASP 81 -10.481 15.223 -18.396 638 HB2 ASP 81 2HB ASP 81 -10.897 16.831 -20.217 639 HB3 ASP 81 3HB ASP 81 -9.493 16.210 -21.080 640 H MET 82 H MET 82 -7.394 15.383 -20.154 641 HA MET 82 HA MET 82 -7.263 12.607 -20.702 642 HB2 MET 82 2HB MET 82 -5.164 14.773 -20.646 643 HB3 MET 82 3HB MET 82 -4.802 13.111 -21.092 644 HG2 MET 82 2HG MET 82 -6.961 14.642 -22.484 645 HG3 MET 82 3HG MET 82 -5.270 14.821 -22.947 646 HE1 MET 82 1HE MET 82 -7.585 12.374 -25.355 647 HE2 MET 82 2HE MET 82 -8.028 13.778 -24.384 648 HE3 MET 82 3HE MET 82 -6.655 13.867 -25.489 649 H ALA 83 H ALA 83 -5.858 14.629 -18.150 650 HA ALA 83 HA ALA 83 -4.292 12.724 -16.878 651 HB1 ALA 83 1HB ALA 83 -5.602 14.474 -14.979 652 HB2 ALA 83 2HB ALA 83 -3.902 14.378 -15.440 653 HB3 ALA 83 3HB ALA 83 -5.020 15.351 -16.394 654 H ILE 84 H ILE 84 -7.721 13.495 -16.374 655 HA ILE 84 HA ILE 84 -8.169 11.703 -14.258 656 HB ILE 84 HB ILE 84 -10.119 12.701 -16.336 657 HG12 ILE 84 2HG1 ILE 84 -10.000 13.709 -13.527 658 HG13 ILE 84 3HG1 ILE 84 -8.784 14.275 -14.667 659 HG21 ILE 84 1HG2 ILE 84 -10.432 10.994 -13.936 660 HG22 ILE 84 2HG2 ILE 84 -11.660 12.228 -14.217 661 HG23 ILE 84 3HG2 ILE 84 -11.341 11.005 -15.447 662 HD11 ILE 84 1HD1 ILE 84 -11.766 14.537 -14.960 663 HD12 ILE 84 2HD1 ILE 84 -10.626 15.824 -14.570 664 HD13 ILE 84 3HD1 ILE 84 -10.576 15.052 -16.155 665 H VAL 85 H VAL 85 -8.880 11.332 -17.734 666 HA VAL 85 HA VAL 85 -9.844 8.748 -17.710 667 HB VAL 85 HB VAL 85 -8.116 10.016 -19.840 668 HG11 VAL 85 1HG1 VAL 85 -8.139 7.745 -20.366 669 HG12 VAL 85 2HG1 VAL 85 -9.797 7.533 -19.800 670 HG13 VAL 85 3HG1 VAL 85 -9.481 8.400 -21.304 671 HG21 VAL 85 1HG2 VAL 85 -10.954 9.848 -20.379 672 HG22 VAL 85 2HG2 VAL 85 -10.623 10.785 -18.921 673 HG23 VAL 85 3HG2 VAL 85 -9.874 11.240 -20.452 674 H THR 86 H THR 86 -6.553 9.865 -17.426 675 HA THR 86 HA THR 86 -5.285 7.377 -17.962 676 HB THR 86 HB THR 86 -4.275 9.773 -16.418 677 HG1 THR 86 HG1 THR 86 -4.690 10.214 -18.617 678 HG21 THR 86 1HG2 THR 86 -3.177 7.148 -16.700 679 HG22 THR 86 2HG2 THR 86 -2.497 8.549 -15.872 680 HG23 THR 86 3HG2 THR 86 -2.169 8.292 -17.585 681 H LEU 87 H LEU 87 -5.810 9.120 -14.891 682 HA LEU 87 HA LEU 87 -4.895 7.187 -13.152 683 HB2 LEU 87 2HB LEU 87 -7.000 9.298 -12.919 684 HB3 LEU 87 3HB LEU 87 -6.722 8.175 -11.588 685 HG LEU 87 HG LEU 87 -4.671 10.055 -12.758 686 HD11 LEU 87 1HD1 LEU 87 -5.007 10.804 -10.186 687 HD12 LEU 87 2HD1 LEU 87 -6.649 10.310 -10.598 688 HD13 LEU 87 3HD1 LEU 87 -5.836 11.552 -11.552 689 HD21 LEU 87 1HD2 LEU 87 -3.580 9.347 -10.477 690 HD22 LEU 87 2HD2 LEU 87 -3.373 8.360 -11.923 691 HD23 LEU 87 3HD2 LEU 87 -4.563 7.901 -10.704 692 H LYS 88 H LYS 88 -7.969 7.372 -14.821 693 HA LYS 88 HA LYS 88 -9.301 5.358 -13.337 694 HB2 LYS 88 2HB LYS 88 -9.780 6.242 -16.190 695 HB3 LYS 88 3HB LYS 88 -10.899 5.322 -15.192 696 HG2 LYS 88 2HG LYS 88 -11.430 7.138 -13.874 697 HG3 LYS 88 3HG LYS 88 -9.933 7.990 -14.264 698 HD2 LYS 88 2HD LYS 88 -10.970 9.091 -15.891 699 HD3 LYS 88 3HD LYS 88 -11.382 7.565 -16.677 700 HE2 LYS 88 2HE LYS 88 -13.462 7.454 -15.649 701 HE3 LYS 88 3HE LYS 88 -12.992 8.557 -14.358 702 HZ1 LYS 88 1HZ LYS 88 -14.343 9.179 -16.690 703 HZ2 LYS 88 2HZ LYS 88 -12.801 9.854 -16.862 704 HZ3 LYS 88 3HZ LYS 88 -13.757 10.259 -15.526 705 H VAL 89 H VAL 89 -7.794 5.253 -16.571 706 HA VAL 89 HA VAL 89 -8.047 2.464 -16.894 707 HB VAL 89 HB VAL 89 -6.425 2.683 -18.713 708 HG11 VAL 89 1HG1 VAL 89 -8.136 3.413 -19.921 709 HG12 VAL 89 2HG1 VAL 89 -8.880 4.088 -18.470 710 HG13 VAL 89 3HG1 VAL 89 -7.779 5.070 -19.436 711 HG21 VAL 89 1HG2 VAL 89 -6.110 5.559 -17.872 712 HG22 VAL 89 2HG2 VAL 89 -4.937 4.292 -17.514 713 HG23 VAL 89 3HG2 VAL 89 -5.279 4.729 -19.188 714 H PHE 90 H PHE 90 -5.798 4.397 -15.139 715 HA PHE 90 HA PHE 90 -3.649 2.532 -15.071 716 HB2 PHE 90 2HB PHE 90 -3.884 5.142 -14.385 717 HB3 PHE 90 3HB PHE 90 -3.957 4.393 -12.794 718 HD1 PHE 90 HD1 PHE 90 -1.798 6.140 -14.482 719 HD2 PHE 90 HD2 PHE 90 -2.130 2.119 -13.126 720 HE1 PHE 90 HE1 PHE 90 0.655 5.944 -14.470 721 HE2 PHE 90 HE2 PHE 90 0.322 1.918 -13.111 722 HZ PHE 90 HZ PHE 90 1.718 3.832 -13.783 723 H ALA 91 H ALA 91 -6.268 3.322 -12.805 724 HA ALA 91 HA ALA 91 -5.522 1.412 -10.848 725 HB1 ALA 91 1HB ALA 91 -8.358 2.274 -11.137 726 HB2 ALA 91 2HB ALA 91 -7.376 2.085 -9.683 727 HB3 ALA 91 3HB ALA 91 -7.137 3.483 -10.733 728 H VAL 92 H VAL 92 -7.633 1.302 -13.659 729 HA VAL 92 HA VAL 92 -8.703 -1.290 -13.041 730 HB VAL 92 HB VAL 92 -8.755 0.257 -15.635 731 HG11 VAL 92 1HG1 VAL 92 -10.934 -1.435 -15.572 732 HG12 VAL 92 2HG1 VAL 92 -9.463 -1.664 -16.519 733 HG13 VAL 92 3HG1 VAL 92 -9.622 -2.425 -14.936 734 HG21 VAL 92 1HG2 VAL 92 -10.456 1.445 -14.826 735 HG22 VAL 92 2HG2 VAL 92 -11.259 0.003 -14.205 736 HG23 VAL 92 3HG2 VAL 92 -10.032 0.817 -13.234 737 H ALA 93 H ALA 93 -6.666 -0.160 -15.748 738 HA ALA 93 HA ALA 93 -5.888 -2.754 -16.546 739 HB1 ALA 93 1HB ALA 93 -5.820 -0.725 -17.986 740 HB2 ALA 93 2HB ALA 93 -4.411 -0.181 -17.076 741 HB3 ALA 93 3HB ALA 93 -4.333 -1.672 -18.013 742 H GLY 94 H GLY 94 -4.927 -0.853 -13.912 743 HA2 GLY 94 2HA GLY 94 -2.316 -2.181 -13.702 744 HA3 GLY 94 3HA GLY 94 -2.844 -0.799 -12.755 745 H LEU 95 H LEU 95 -4.708 -1.242 -11.245 746 HA LEU 95 HA LEU 95 -4.007 -3.267 -9.447 747 HB2 LEU 95 2HB LEU 95 -5.706 -1.088 -9.450 748 HB3 LEU 95 3HB LEU 95 -6.795 -2.461 -9.264 749 HG LEU 95 HG LEU 95 -6.276 -1.662 -7.089 750 HD11 LEU 95 1HD1 LEU 95 -5.647 -3.626 -6.087 751 HD12 LEU 95 2HD1 LEU 95 -4.388 -3.960 -7.275 752 HD13 LEU 95 3HD1 LEU 95 -6.084 -4.201 -7.696 753 HD21 LEU 95 1HD2 LEU 95 -4.193 -1.065 -6.303 754 HD22 LEU 95 2HD2 LEU 95 -4.092 -0.561 -7.991 755 HD23 LEU 95 3HD2 LEU 95 -3.343 -2.073 -7.474 756 H LEU 96 H LEU 96 -6.541 -3.139 -11.912 757 HA LEU 96 HA LEU 96 -7.378 -5.856 -11.279 758 HB2 LEU 96 2HB LEU 96 -8.543 -3.563 -12.587 759 HB3 LEU 96 3HB LEU 96 -8.696 -5.005 -13.588 760 HG LEU 96 HG LEU 96 -10.687 -4.746 -12.275 761 HD11 LEU 96 1HD1 LEU 96 -9.626 -7.032 -12.609 762 HD12 LEU 96 2HD1 LEU 96 -10.833 -6.890 -11.331 763 HD13 LEU 96 3HD1 LEU 96 -9.118 -6.919 -10.923 764 HD21 LEU 96 1HD2 LEU 96 -10.628 -3.784 -10.278 765 HD22 LEU 96 2HD2 LEU 96 -8.866 -3.849 -10.275 766 HD23 LEU 96 3HD2 LEU 96 -9.799 -5.200 -9.631 767 H ASN 97 H ASN 97 -4.979 -4.478 -13.060 768 HA ASN 97 HA ASN 97 -3.670 -5.129 -14.808 769 HB2 ASN 97 2HB ASN 97 -4.636 -7.890 -14.036 770 HB3 ASN 97 3HB ASN 97 -3.162 -7.504 -14.918 771 HD21 ASN 97 1HD2 ASN 97 -4.222 -8.469 -12.044 772 HD22 ASN 97 2HD2 ASN 97 -3.016 -7.791 -11.010 773 H MET 98 H MET 98 -6.452 -4.483 -15.409 774 HA MET 98 HA MET 98 -7.468 -6.296 -17.344 775 HB2 MET 98 2HB MET 98 -8.069 -3.477 -16.551 776 HB3 MET 98 3HB MET 98 -8.728 -4.092 -18.061 777 HG2 MET 98 2HG MET 98 -9.160 -5.971 -15.929 778 HG3 MET 98 3HG MET 98 -9.787 -4.381 -15.501 779 HE1 MET 98 1HE MET 98 -11.982 -7.465 -17.365 780 HE2 MET 98 2HE MET 98 -10.514 -7.439 -18.342 781 HE3 MET 98 3HE MET 98 -10.401 -7.503 -16.583 782 H THR 99 H THR 99 -7.118 -6.457 -19.487 783 HA THR 99 HA THR 99 -4.788 -5.444 -20.645 784 HB THR 99 HB THR 99 -6.368 -5.994 -22.826 785 HG1 THR 99 HG1 THR 99 -8.138 -6.815 -21.948 786 HG21 THR 99 1HG2 THR 99 -5.181 -8.030 -22.957 787 HG22 THR 99 2HG2 THR 99 -5.026 -8.144 -21.204 788 HG23 THR 99 3HG2 THR 99 -4.113 -6.925 -22.093 789 H VAL 100 H VAL 100 -8.166 -4.506 -21.312 790 HA VAL 100 HA VAL 100 -9.086 -2.548 -22.028 791 HB VAL 100 HB VAL 100 -6.458 -1.225 -21.362 792 HG11 VAL 100 1HG1 VAL 100 -9.290 -0.219 -21.567 793 HG12 VAL 100 2HG1 VAL 100 -7.949 0.723 -20.912 794 HG13 VAL 100 3HG1 VAL 100 -7.925 0.206 -22.599 795 HG21 VAL 100 1HG2 VAL 100 -8.498 -2.406 -19.611 796 HG22 VAL 100 2HG2 VAL 100 -6.812 -2.007 -19.282 797 HG23 VAL 100 3HG2 VAL 100 -8.046 -0.749 -19.211 798 H SER 101 H SER 101 -9.159 -1.177 -23.860 799 HA SER 101 HA SER 101 -7.084 -1.745 -25.874 800 HB2 SER 101 2HB SER 101 -9.948 -1.168 -26.592 801 HB3 SER 101 3HB SER 101 -8.706 -1.962 -27.559 802 HG SER 101 HG SER 101 -10.003 -2.998 -25.256 803 H THR 102 H THR 102 -9.329 0.595 -24.538 804 HA THR 102 HA THR 102 -7.680 2.749 -25.608 805 HB THR 102 HB THR 102 -9.503 4.002 -26.533 806 HG1 THR 102 HG1 THR 102 -11.547 3.538 -26.121 807 HG21 THR 102 1HG2 THR 102 -9.721 1.149 -27.502 808 HG22 THR 102 2HG2 THR 102 -8.480 2.299 -27.998 809 HG23 THR 102 3HG2 THR 102 -10.170 2.597 -28.401 810 H ALA 103 H ALA 103 -7.682 4.600 -24.364 811 HA ALA 103 HA ALA 103 -8.146 4.411 -21.653 812 HB1 ALA 103 1HB ALA 103 -7.082 6.311 -23.345 813 HB2 ALA 103 2HB ALA 103 -8.455 7.138 -22.608 814 HB3 ALA 103 3HB ALA 103 -7.203 6.430 -21.589 815 H ALA 104 H ALA 104 -10.325 5.491 -24.192 816 HA ALA 104 HA ALA 104 -12.331 6.563 -22.509 817 HB1 ALA 104 1HB ALA 104 -13.798 6.091 -24.581 818 HB2 ALA 104 2HB ALA 104 -12.481 7.256 -24.717 819 HB3 ALA 104 3HB ALA 104 -12.282 5.622 -25.350 820 H ALA 105 H ALA 105 -11.833 3.350 -23.907 821 HA ALA 105 HA ALA 105 -14.259 2.206 -23.064 822 HB1 ALA 105 1HB ALA 105 -11.665 0.713 -23.383 823 HB2 ALA 105 2HB ALA 105 -13.307 0.107 -23.603 824 HB3 ALA 105 3HB ALA 105 -12.634 1.266 -24.750 825 H ALA 106 H ALA 106 -11.023 2.090 -21.575 826 HA ALA 106 HA ALA 106 -11.836 0.661 -19.276 827 HB1 ALA 106 1HB ALA 106 -9.415 1.913 -20.256 828 HB2 ALA 106 2HB ALA 106 -9.608 2.120 -18.515 829 HB3 ALA 106 3HB ALA 106 -9.616 0.502 -19.217 830 H GLU 107 H GLU 107 -11.920 4.031 -20.126 831 HA GLU 107 HA GLU 107 -12.212 5.034 -17.468 832 HB2 GLU 107 2HB GLU 107 -11.400 6.537 -19.136 833 HB3 GLU 107 3HB GLU 107 -12.779 6.225 -20.180 834 HG2 GLU 107 2HG GLU 107 -13.657 7.195 -17.622 835 HG3 GLU 107 3HG GLU 107 -12.474 8.293 -18.334 836 H ASN 108 H ASN 108 -14.458 4.196 -20.071 837 HA ASN 108 HA ASN 108 -16.808 5.085 -18.796 838 HB2 ASN 108 2HB ASN 108 -16.211 4.071 -21.267 839 HB3 ASN 108 3HB ASN 108 -17.103 2.737 -20.543 840 HD21 ASN 108 1HD2 ASN 108 -17.635 4.897 -22.654 841 HD22 ASN 108 2HD2 ASN 108 -19.204 5.486 -22.233 842 H MET 109 H MET 109 -15.242 1.900 -18.898 843 HA MET 109 HA MET 109 -17.186 0.553 -17.358 844 HB2 MET 109 2HB MET 109 -15.653 -0.722 -18.692 845 HB3 MET 109 3HB MET 109 -14.267 -0.030 -17.859 846 HG2 MET 109 2HG MET 109 -14.706 -2.318 -17.148 847 HG3 MET 109 3HG MET 109 -14.886 -1.175 -15.820 848 HE1 MET 109 1HE MET 109 -15.801 -2.537 -14.412 849 HE2 MET 109 2HE MET 109 -17.500 -2.159 -14.125 850 HE3 MET 109 3HE MET 109 -17.039 -3.760 -14.706 851 H TYR 110 H TYR 110 -14.250 2.306 -16.498 852 HA TYR 110 HA TYR 110 -14.115 1.571 -13.797 853 HB2 TYR 110 2HB TYR 110 -12.299 2.726 -15.026 854 HB3 TYR 110 3HB TYR 110 -13.268 4.196 -15.044 855 HD1 TYR 110 HD1 TYR 110 -12.835 5.775 -13.421 856 HD2 TYR 110 HD2 TYR 110 -11.974 1.693 -12.583 857 HE1 TYR 110 HE1 TYR 110 -11.896 6.426 -11.244 858 HE2 TYR 110 HE2 TYR 110 -11.033 2.333 -10.402 859 HH TYR 110 HH TYR 110 -10.186 4.162 -9.229 860 H SER 111 H SER 111 -15.740 4.304 -15.373 861 HA SER 111 HA SER 111 -16.778 5.355 -12.921 862 HB2 SER 111 2HB SER 111 -18.166 6.790 -14.458 863 HB3 SER 111 3HB SER 111 -16.428 6.887 -14.741 864 HG SER 111 HG SER 111 -18.438 5.799 -16.325 865 H GLN 112 H GLN 112 -18.033 3.315 -15.513 866 HA GLN 112 HA GLN 112 -20.716 3.254 -14.667 867 HB2 GLN 112 2HB GLN 112 -19.029 1.424 -16.347 868 HB3 GLN 112 3HB GLN 112 -20.684 0.994 -15.937 869 HG2 GLN 112 2HG GLN 112 -20.693 3.665 -16.875 870 HG3 GLN 112 3HG GLN 112 -19.745 2.695 -18.002 871 HE21 GLN 112 1HE2 GLN 112 -22.515 3.961 -18.012 872 HE22 GLN 112 2HE2 GLN 112 -23.545 2.690 -18.568 873 H MET 113 H MET 113 -17.896 1.388 -13.727 874 HA MET 113 HA MET 113 -19.269 -0.627 -12.289 875 HB2 MET 113 2HB MET 113 -16.800 -0.537 -13.094 876 HB3 MET 113 3HB MET 113 -16.505 0.305 -11.578 877 HG2 MET 113 2HG MET 113 -18.005 -2.243 -11.451 878 HG3 MET 113 3HG MET 113 -16.285 -2.325 -11.823 879 HE1 MET 113 1HE MET 113 -14.296 -1.672 -9.636 880 HE2 MET 113 2HE MET 113 -15.002 -2.876 -8.559 881 HE3 MET 113 3HE MET 113 -15.036 -3.127 -10.305 882 H GLY 114 H GLY 114 -18.520 2.656 -11.585 883 HA2 GLY 114 2HA GLY 114 -19.753 3.734 -9.800 884 HA3 GLY 114 3HA GLY 114 -19.569 2.264 -8.856 885 H LEU 115 H LEU 115 -16.835 3.347 -10.644 886 HA LEU 115 HA LEU 115 -15.538 4.114 -8.126 887 HB2 LEU 115 2HB LEU 115 -14.276 3.415 -10.772 888 HB3 LEU 115 3HB LEU 115 -13.436 3.678 -9.245 889 HG LEU 115 HG LEU 115 -15.441 1.553 -9.122 890 HD11 LEU 115 1HD1 LEU 115 -14.635 0.071 -10.638 891 HD12 LEU 115 2HD1 LEU 115 -13.007 0.748 -10.604 892 HD13 LEU 115 3HD1 LEU 115 -14.280 1.558 -11.518 893 HD21 LEU 115 1HD2 LEU 115 -12.550 1.899 -8.372 894 HD22 LEU 115 2HD2 LEU 115 -13.405 0.368 -8.179 895 HD23 LEU 115 3HD2 LEU 115 -13.955 1.802 -7.310 896 H ASP 116 H ASP 116 -16.794 5.422 -10.978 897 HA ASP 116 HA ASP 116 -15.752 8.040 -10.291 898 HB2 ASP 116 2HB ASP 116 -14.024 7.313 -11.801 899 HB3 ASP 116 3HB ASP 116 -15.215 6.747 -12.969 900 H THR 117 H THR 117 -16.929 9.769 -11.254 901 HA THR 117 HA THR 117 -19.631 8.966 -12.055 902 HB THR 117 HB THR 117 -18.751 11.753 -11.313 903 HG1 THR 117 HG1 THR 117 -19.110 11.264 -9.217 904 HG21 THR 117 1HG2 THR 117 -21.458 10.455 -11.049 905 HG22 THR 117 2HG2 THR 117 -20.955 11.344 -12.487 906 HG23 THR 117 3HG2 THR 117 -21.059 12.169 -10.931 907 H ARG 118 H ARG 118 -17.524 11.735 -12.847 908 HA ARG 118 HA ARG 118 -17.132 12.837 -14.796 909 HB2 ARG 118 2HB ARG 118 -16.120 10.681 -15.419 910 HB3 ARG 118 3HB ARG 118 -17.678 10.125 -16.016 911 HG2 ARG 118 2HG ARG 118 -17.316 12.476 -17.380 912 HG3 ARG 118 3HG ARG 118 -15.681 11.819 -17.285 913 HD2 ARG 118 2HD ARG 118 -16.360 10.744 -19.164 914 HD3 ARG 118 3HD ARG 118 -16.974 9.595 -17.976 915 HE ARG 118 HE ARG 118 -19.020 11.369 -18.357 916 HH11 ARG 118 1HH1 ARG 118 -17.136 9.277 -20.405 917 HH12 ARG 118 2HH1 ARG 118 -18.415 9.027 -21.547 918 HH21 ARG 118 1HH2 ARG 118 -20.712 11.047 -19.852 919 HH22 ARG 118 2HH2 ARG 118 -20.449 10.035 -21.231 920 HA PRO 119 HA PRO 119 -21.722 13.220 -15.509 921 HB2 PRO 119 2HB PRO 119 -21.866 15.831 -14.780 922 HB3 PRO 119 3HB PRO 119 -22.011 14.503 -13.625 923 HG2 PRO 119 2HG PRO 119 -19.635 16.208 -14.263 924 HG3 PRO 119 3HG PRO 119 -20.232 15.668 -12.684 925 HD2 PRO 119 2HD PRO 119 -18.150 14.476 -13.940 926 HD3 PRO 119 3HD PRO 119 -19.273 13.582 -12.894 Start of MODEL 18 1 H1 GLY 2 H GLY 2 9.568 5.235 -0.010 2 HA2 GLY 2 2HA GLY 2 8.710 4.964 -2.824 3 HA3 GLY 2 3HA GLY 2 9.791 3.840 -2.012 4 H ASN 3 H ASN 3 6.572 5.248 -1.380 5 HA ASN 3 HA ASN 3 5.586 3.074 0.072 6 HB2 ASN 3 2HB ASN 3 4.639 5.513 -0.366 7 HB3 ASN 3 3HB ASN 3 3.714 4.680 -1.613 8 HD21 ASN 3 1HD2 ASN 3 2.420 2.839 -0.931 9 HD22 ASN 3 2HD2 ASN 3 1.719 2.850 0.649 10 H LEU 4 H LEU 4 5.068 3.891 -3.359 11 HA LEU 4 HA LEU 4 3.517 1.730 -4.093 12 HB2 LEU 4 2HB LEU 4 4.286 2.094 -6.357 13 HB3 LEU 4 3HB LEU 4 3.994 3.634 -5.549 14 HG LEU 4 HG LEU 4 6.776 2.639 -5.487 15 HD11 LEU 4 1HD1 LEU 4 5.302 2.842 -7.962 16 HD12 LEU 4 2HD1 LEU 4 6.946 2.277 -7.672 17 HD13 LEU 4 3HD1 LEU 4 6.635 3.996 -7.905 18 HD21 LEU 4 1HD2 LEU 4 7.195 4.787 -5.074 19 HD22 LEU 4 2HD2 LEU 4 5.451 4.997 -4.918 20 HD23 LEU 4 3HD2 LEU 4 6.244 5.321 -6.460 21 H LYS 5 H LYS 5 3.890 -0.349 -4.759 22 HA LYS 5 HA LYS 5 6.372 -1.542 -3.851 23 HB2 LYS 5 2HB LYS 5 3.651 -2.469 -4.457 24 HB3 LYS 5 3HB LYS 5 4.915 -3.590 -4.948 25 HG2 LYS 5 2HG LYS 5 5.308 -2.526 -2.265 26 HG3 LYS 5 3HG LYS 5 3.797 -3.419 -2.453 27 HD2 LYS 5 2HD LYS 5 5.075 -5.304 -3.417 28 HD3 LYS 5 3HD LYS 5 6.569 -4.412 -3.118 29 HE2 LYS 5 2HE LYS 5 4.692 -4.822 -0.848 30 HE3 LYS 5 3HE LYS 5 5.644 -6.199 -1.400 31 HZ1 LYS 5 1HZ LYS 5 7.133 -3.743 -1.046 32 HZ2 LYS 5 2HZ LYS 5 7.527 -5.324 -0.591 33 HZ3 LYS 5 3HZ LYS 5 6.499 -4.395 0.380 34 H SER 6 H SER 6 7.986 -2.267 -5.106 35 HA SER 6 HA SER 6 8.313 -1.429 -7.729 36 HB2 SER 6 2HB SER 6 10.235 -2.055 -6.430 37 HB3 SER 6 3HB SER 6 9.635 -3.701 -6.232 38 HG SER 6 HG SER 6 11.270 -3.436 -7.883 39 H ARG 7 H ARG 7 6.714 -4.241 -6.479 40 HA ARG 7 HA ARG 7 6.680 -5.669 -8.975 41 HB2 ARG 7 2HB ARG 7 5.123 -6.082 -6.417 42 HB3 ARG 7 3HB ARG 7 5.089 -7.175 -7.794 43 HG2 ARG 7 2HG ARG 7 7.650 -6.468 -6.405 44 HG3 ARG 7 3HG ARG 7 6.609 -7.777 -5.842 45 HD2 ARG 7 2HD ARG 7 6.804 -8.899 -7.973 46 HD3 ARG 7 3HD ARG 7 7.732 -7.552 -8.631 47 HE ARG 7 HE ARG 7 8.700 -9.659 -6.927 48 HH11 ARG 7 1HH1 ARG 7 9.222 -6.408 -8.059 49 HH12 ARG 7 2HH1 ARG 7 10.921 -6.425 -7.722 50 HH21 ARG 7 1HH2 ARG 7 10.936 -9.693 -6.478 51 HH22 ARG 7 2HH2 ARG 7 11.895 -8.293 -6.824 52 H ASP 8 H ASP 8 3.980 -4.461 -6.982 53 HA ASP 8 HA ASP 8 2.022 -4.564 -8.923 54 HB2 ASP 8 2HB ASP 8 2.147 -2.394 -6.830 55 HB3 ASP 8 3HB ASP 8 0.715 -3.136 -7.537 56 H TRP 9 H TRP 9 4.454 -2.103 -8.363 57 HA TRP 9 HA TRP 9 3.322 -0.161 -10.117 58 HB2 TRP 9 2HB TRP 9 4.870 0.497 -8.348 59 HB3 TRP 9 3HB TRP 9 6.149 -0.468 -9.081 60 HD1 TRP 9 HD1 TRP 9 7.851 1.157 -10.079 61 HE1 TRP 9 HE1 TRP 9 7.746 3.285 -11.522 62 HE3 TRP 9 HE3 TRP 9 2.777 1.750 -10.284 63 HZ2 TRP 9 HZ2 TRP 9 5.775 4.990 -12.604 64 HZ3 TRP 9 HZ3 TRP 9 1.863 3.656 -11.544 65 HH2 TRP 9 HH2 TRP 9 3.331 5.242 -12.679 66 H LYS 10 H LYS 10 6.309 -2.087 -10.461 67 HA LYS 10 HA LYS 10 6.799 -1.559 -13.126 68 HB2 LYS 10 2HB LYS 10 8.407 -2.710 -11.705 69 HB3 LYS 10 3HB LYS 10 7.343 -4.105 -11.587 70 HG2 LYS 10 2HG LYS 10 7.583 -4.462 -14.011 71 HG3 LYS 10 3HG LYS 10 8.709 -3.104 -14.078 72 HD2 LYS 10 2HD LYS 10 9.511 -4.915 -12.008 73 HD3 LYS 10 3HD LYS 10 9.280 -5.806 -13.514 74 HE2 LYS 10 2HE LYS 10 10.860 -3.252 -13.386 75 HE3 LYS 10 3HE LYS 10 11.594 -4.824 -13.073 76 HZ1 LYS 10 1HZ LYS 10 11.794 -5.117 -15.242 77 HZ2 LYS 10 2HZ LYS 10 11.076 -3.616 -15.544 78 HZ3 LYS 10 3HZ LYS 10 10.117 -5.005 -15.441 79 H MET 11 H MET 11 4.689 -4.009 -11.709 80 HA MET 11 HA MET 11 4.057 -5.278 -14.180 81 HB2 MET 11 2HB MET 11 2.934 -5.360 -11.406 82 HB3 MET 11 3HB MET 11 2.026 -6.083 -12.728 83 HG2 MET 11 2HG MET 11 4.892 -6.803 -12.415 84 HG3 MET 11 3HG MET 11 3.718 -7.484 -11.291 85 HE1 MET 11 1HE MET 11 3.184 -10.277 -12.182 86 HE2 MET 11 2HE MET 11 2.135 -8.981 -11.604 87 HE3 MET 11 3HE MET 11 1.693 -9.898 -13.044 88 H ALA 12 H ALA 12 2.670 -2.635 -12.336 89 HA ALA 12 HA ALA 12 0.227 -2.444 -13.748 90 HB1 ALA 12 1HB ALA 12 0.080 -1.277 -11.803 91 HB2 ALA 12 2HB ALA 12 1.748 -0.709 -11.886 92 HB3 ALA 12 3HB ALA 12 0.507 0.053 -12.881 93 H ILE 13 H ILE 13 3.161 -0.421 -13.980 94 HA ILE 13 HA ILE 13 2.340 0.999 -16.261 95 HB ILE 13 HB ILE 13 5.127 0.433 -15.249 96 HG12 ILE 13 2HG1 ILE 13 3.587 1.697 -13.731 97 HG13 ILE 13 3HG1 ILE 13 5.004 2.614 -14.234 98 HG21 ILE 13 1HG2 ILE 13 4.131 2.011 -17.559 99 HG22 ILE 13 2HG2 ILE 13 5.468 2.672 -16.620 100 HG23 ILE 13 3HG2 ILE 13 5.621 1.087 -17.377 101 HD11 ILE 13 1HD1 ILE 13 2.497 3.572 -14.276 102 HD12 ILE 13 2HD1 ILE 13 3.781 4.133 -15.347 103 HD13 ILE 13 3HD1 ILE 13 2.615 2.938 -15.917 104 H LYS 14 H LYS 14 3.918 -2.091 -15.875 105 HA LYS 14 HA LYS 14 4.909 -2.424 -18.479 106 HB2 LYS 14 2HB LYS 14 5.620 -3.911 -16.733 107 HB3 LYS 14 3HB LYS 14 3.969 -4.438 -16.435 108 HG2 LYS 14 2HG LYS 14 5.171 -6.144 -17.636 109 HG3 LYS 14 3HG LYS 14 3.911 -5.463 -18.669 110 HD2 LYS 14 2HD LYS 14 5.412 -4.825 -20.188 111 HD3 LYS 14 3HD LYS 14 6.381 -4.001 -18.965 112 HE2 LYS 14 2HE LYS 14 7.734 -5.688 -19.998 113 HE3 LYS 14 3HE LYS 14 7.366 -6.201 -18.352 114 HZ1 LYS 14 1HZ LYS 14 6.911 -7.601 -20.702 115 HZ2 LYS 14 2HZ LYS 14 5.386 -7.161 -20.117 116 HZ3 LYS 14 3HZ LYS 14 6.445 -8.040 -19.135 117 H ARG 15 H ARG 15 1.849 -3.580 -17.057 118 HA ARG 15 HA ARG 15 0.832 -4.478 -19.573 119 HB2 ARG 15 2HB ARG 15 -0.604 -3.986 -16.957 120 HB3 ARG 15 3HB ARG 15 -1.269 -4.844 -18.342 121 HG2 ARG 15 2HG ARG 15 1.300 -5.843 -17.280 122 HG3 ARG 15 3HG ARG 15 -0.127 -6.072 -16.266 123 HD2 ARG 15 2HD ARG 15 -0.753 -6.735 -18.982 124 HD3 ARG 15 3HD ARG 15 0.694 -7.607 -18.478 125 HE ARG 15 HE ARG 15 -1.084 -7.935 -16.422 126 HH11 ARG 15 1HH1 ARG 15 -1.079 -8.602 -19.839 127 HH12 ARG 15 2HH1 ARG 15 -2.135 -9.968 -19.705 128 HH21 ARG 15 1HH2 ARG 15 -2.476 -9.732 -16.234 129 HH22 ARG 15 2HH2 ARG 15 -2.931 -10.610 -17.655 130 H CYS 16 H CYS 16 0.145 -1.696 -17.470 131 HA CYS 16 HA CYS 16 -1.890 -0.521 -18.927 132 HB2 CYS 16 2HB CYS 16 0.287 0.661 -17.214 133 HB3 CYS 16 3HB CYS 16 -0.938 1.672 -17.971 134 HG CYS 16 HG CYS 16 -1.104 0.181 -15.125 135 H SER 17 H SER 17 1.523 -0.629 -19.587 136 HA SER 17 HA SER 17 1.796 1.512 -21.344 137 HB2 SER 17 2HB SER 17 3.320 -0.816 -20.614 138 HB3 SER 17 3HB SER 17 3.386 -0.592 -22.361 139 HG SER 17 HG SER 17 4.927 0.599 -20.822 140 H ASN 18 H ASN 18 0.199 -1.525 -21.754 141 HA ASN 18 HA ASN 18 0.177 -1.476 -24.625 142 HB2 ASN 18 2HB ASN 18 -0.436 -3.359 -22.631 143 HB3 ASN 18 3HB ASN 18 -1.948 -3.067 -23.483 144 HD21 ASN 18 1HD2 ASN 18 0.516 -5.093 -23.388 145 HD22 ASN 18 2HD2 ASN 18 0.636 -5.551 -25.049 146 H VAL 19 H VAL 19 -1.746 -0.122 -22.098 147 HA VAL 19 HA VAL 19 -4.228 0.177 -23.260 148 HB VAL 19 HB VAL 19 -2.785 2.238 -21.585 149 HG11 VAL 19 1HG1 VAL 19 -5.029 2.997 -20.969 150 HG12 VAL 19 2HG1 VAL 19 -4.750 3.150 -22.705 151 HG13 VAL 19 3HG1 VAL 19 -5.732 1.824 -22.082 152 HG21 VAL 19 1HG2 VAL 19 -3.049 0.908 -19.823 153 HG22 VAL 19 2HG2 VAL 19 -4.756 0.672 -20.193 154 HG23 VAL 19 3HG2 VAL 19 -3.544 -0.377 -20.926 155 H ALA 20 H ALA 20 -5.193 1.674 -24.611 156 HA ALA 20 HA ALA 20 -3.342 3.124 -26.362 157 HB1 ALA 20 1HB ALA 20 -4.954 3.003 -28.051 158 HB2 ALA 20 2HB ALA 20 -5.058 1.440 -27.238 159 HB3 ALA 20 3HB ALA 20 -6.260 2.688 -26.907 160 H VAL 21 H VAL 21 -3.073 5.220 -26.011 161 HA VAL 21 HA VAL 21 -4.932 6.721 -24.393 162 HB VAL 21 HB VAL 21 -2.586 7.159 -24.075 163 HG11 VAL 21 1HG1 VAL 21 -1.296 8.287 -25.943 164 HG12 VAL 21 2HG1 VAL 21 -1.613 6.562 -26.141 165 HG13 VAL 21 3HG1 VAL 21 -2.579 7.745 -27.025 166 HG21 VAL 21 1HG2 VAL 21 -4.347 9.041 -24.046 167 HG22 VAL 21 2HG2 VAL 21 -2.641 9.486 -24.036 168 HG23 VAL 21 3HG2 VAL 21 -3.570 9.585 -25.532 169 H GLY 22 H GLY 22 -4.278 6.275 -27.765 170 HA2 GLY 22 2HA GLY 22 -5.374 7.041 -29.632 171 HA3 GLY 22 3HA GLY 22 -6.648 7.597 -28.558 172 H VAL 23 H VAL 23 -5.950 9.017 -30.825 173 HA VAL 23 HA VAL 23 -5.595 11.603 -29.814 174 HB VAL 23 HB VAL 23 -3.282 11.039 -29.436 175 HG11 VAL 23 1HG1 VAL 23 -1.808 10.317 -31.256 176 HG12 VAL 23 2HG1 VAL 23 -3.098 9.150 -30.962 177 HG13 VAL 23 3HG1 VAL 23 -3.193 10.242 -32.344 178 HG21 VAL 23 1HG2 VAL 23 -3.929 13.280 -30.420 179 HG22 VAL 23 2HG2 VAL 23 -2.238 12.811 -30.599 180 HG23 VAL 23 3HG2 VAL 23 -3.343 12.665 -31.965 181 H GLY 24 H GLY 24 -5.270 9.422 -32.552 182 HA2 GLY 24 2HA GLY 24 -7.027 10.105 -34.299 183 HA3 GLY 24 3HA GLY 24 -6.098 11.595 -34.360 184 H GLY 25 H GLY 25 -4.808 8.323 -34.028 185 HA2 GLY 25 2HA GLY 25 -3.681 8.579 -36.746 186 HA3 GLY 25 3HA GLY 25 -2.680 8.090 -35.387 187 H LYS 26 H LYS 26 -2.402 5.983 -35.122 188 HA LYS 26 HA LYS 26 -4.516 4.147 -36.008 189 HB2 LYS 26 2HB LYS 26 -1.803 4.389 -37.066 190 HB3 LYS 26 3HB LYS 26 -2.183 2.758 -36.528 191 HG2 LYS 26 2HG LYS 26 -4.400 3.261 -37.923 192 HG3 LYS 26 3HG LYS 26 -3.280 4.320 -38.783 193 HD2 LYS 26 2HD LYS 26 -2.878 2.428 -39.964 194 HD3 LYS 26 3HD LYS 26 -1.768 2.111 -38.628 195 HE2 LYS 26 2HE LYS 26 -3.899 1.027 -37.541 196 HE3 LYS 26 3HE LYS 26 -4.435 0.911 -39.217 197 HZ1 LYS 26 1HZ LYS 26 -3.157 -0.859 -39.476 198 HZ2 LYS 26 2HZ LYS 26 -2.675 -0.772 -37.857 199 HZ3 LYS 26 3HZ LYS 26 -1.777 0.023 -39.051 200 H SER 27 H SER 27 -1.243 3.792 -34.646 201 HA SER 27 HA SER 27 -2.021 1.729 -32.870 202 HB2 SER 27 2HB SER 27 0.444 3.470 -33.008 203 HB3 SER 27 3HB SER 27 0.252 2.179 -31.822 204 HG SER 27 HG SER 27 0.557 0.734 -33.337 205 H LYS 28 H LYS 28 -0.597 4.832 -31.880 206 HA LYS 28 HA LYS 28 -1.043 6.235 -30.146 207 HB2 LYS 28 2HB LYS 28 -3.815 5.051 -30.063 208 HB3 LYS 28 3HB LYS 28 -3.311 6.659 -29.558 209 HG2 LYS 28 2HG LYS 28 -3.893 7.414 -31.552 210 HG3 LYS 28 3HG LYS 28 -2.598 6.445 -32.259 211 HD2 LYS 28 2HD LYS 28 -4.376 5.610 -33.423 212 HD3 LYS 28 3HD LYS 28 -4.404 4.524 -32.031 213 HE2 LYS 28 2HE LYS 28 -5.907 7.001 -31.635 214 HE3 LYS 28 3HE LYS 28 -6.525 5.996 -32.945 215 HZ1 LYS 28 1HZ LYS 28 -5.893 4.481 -30.601 216 HZ2 LYS 28 2HZ LYS 28 -7.321 4.518 -31.506 217 HZ3 LYS 28 3HZ LYS 28 -7.056 5.671 -30.296 218 H LYS 29 H LYS 29 0.297 4.013 -29.431 219 HA LYS 29 HA LYS 29 -1.004 2.741 -27.174 220 HB2 LYS 29 2HB LYS 29 0.976 1.956 -28.928 221 HB3 LYS 29 3HB LYS 29 1.876 2.312 -27.460 222 HG2 LYS 29 2HG LYS 29 0.461 0.777 -26.206 223 HG3 LYS 29 3HG LYS 29 -0.472 0.436 -27.665 224 HD2 LYS 29 2HD LYS 29 2.499 0.004 -27.550 225 HD3 LYS 29 3HD LYS 29 1.359 -1.229 -27.005 226 HE2 LYS 29 2HE LYS 29 1.142 -1.902 -29.110 227 HE3 LYS 29 3HE LYS 29 0.436 -0.338 -29.508 228 HZ1 LYS 29 1HZ LYS 29 2.192 0.023 -30.785 229 HZ2 LYS 29 2HZ LYS 29 2.949 -1.394 -30.259 230 HZ3 LYS 29 3HZ LYS 29 3.171 0.049 -29.406 231 H PHE 30 H PHE 30 -0.689 3.192 -25.065 232 HA PHE 30 HA PHE 30 0.252 5.691 -24.260 233 HB2 PHE 30 2HB PHE 30 -0.739 3.270 -22.960 234 HB3 PHE 30 3HB PHE 30 0.451 4.128 -21.985 235 HD1 PHE 30 HD1 PHE 30 -2.947 3.967 -22.995 236 HD2 PHE 30 HD2 PHE 30 0.065 6.638 -21.615 237 HE1 PHE 30 HE1 PHE 30 -4.687 5.554 -22.282 238 HE2 PHE 30 HE2 PHE 30 -1.669 8.229 -20.899 239 HZ PHE 30 HZ PHE 30 -4.048 7.689 -21.231 240 H GLY 31 H GLY 31 1.930 5.684 -22.262 241 HA2 GLY 31 2HA GLY 31 4.239 4.030 -22.623 242 HA3 GLY 31 3HA GLY 31 4.463 5.627 -23.323 243 H GLU 32 H GLU 32 6.184 4.998 -21.416 244 HA GLU 32 HA GLU 32 5.452 5.434 -18.756 245 HB2 GLU 32 2HB GLU 32 8.090 6.246 -19.976 246 HB3 GLU 32 3HB GLU 32 7.777 5.788 -18.308 247 HG2 GLU 32 2HG GLU 32 6.940 3.628 -19.900 248 HG3 GLU 32 3HG GLU 32 8.504 4.147 -20.529 249 H GLY 33 H GLY 33 6.666 7.748 -21.176 250 HA2 GLY 33 2HA GLY 33 6.610 10.020 -19.528 251 HA3 GLY 33 3HA GLY 33 6.530 10.036 -21.284 252 H ASN 34 H ASN 34 4.088 8.507 -21.461 253 HA ASN 34 HA ASN 34 2.225 10.628 -21.301 254 HB2 ASN 34 2HB ASN 34 1.838 7.663 -21.751 255 HB3 ASN 34 3HB ASN 34 0.544 8.851 -21.885 256 HD21 ASN 34 1HD2 ASN 34 1.944 7.023 -23.828 257 HD22 ASN 34 2HD2 ASN 34 2.382 8.056 -25.143 258 H PHE 35 H PHE 35 2.292 7.523 -19.542 259 HA PHE 35 HA PHE 35 0.245 8.137 -17.744 260 HB2 PHE 35 2HB PHE 35 2.581 6.238 -17.554 261 HB3 PHE 35 3HB PHE 35 1.351 6.349 -16.299 262 HD1 PHE 35 HD1 PHE 35 2.281 4.175 -18.547 263 HD2 PHE 35 HD2 PHE 35 -1.100 6.665 -17.854 264 HE1 PHE 35 HE1 PHE 35 0.868 2.600 -19.802 265 HE2 PHE 35 HE2 PHE 35 -2.520 5.094 -19.105 266 HZ PHE 35 HZ PHE 35 -1.537 3.057 -20.080 267 H ARG 36 H ARG 36 3.559 9.108 -17.817 268 HA ARG 36 HA ARG 36 3.874 9.752 -15.077 269 HB2 ARG 36 2HB ARG 36 5.389 10.049 -17.527 270 HB3 ARG 36 3HB ARG 36 5.503 11.499 -16.537 271 HG2 ARG 36 2HG ARG 36 6.489 10.356 -14.762 272 HG3 ARG 36 3HG ARG 36 5.970 8.782 -15.369 273 HD2 ARG 36 2HD ARG 36 8.036 8.608 -16.204 274 HD3 ARG 36 3HD ARG 36 7.493 9.750 -17.433 275 HE ARG 36 HE ARG 36 8.339 11.313 -15.355 276 HH11 ARG 36 1HH1 ARG 36 9.766 8.815 -17.317 277 HH12 ARG 36 2HH1 ARG 36 11.371 9.455 -17.196 278 HH21 ARG 36 1HH2 ARG 36 10.448 12.166 -15.188 279 HH22 ARG 36 2HH2 ARG 36 11.757 11.361 -15.984 280 H TRP 37 H TRP 37 3.386 11.915 -17.875 281 HA TRP 37 HA TRP 37 2.934 14.244 -16.416 282 HB2 TRP 37 2HB TRP 37 3.360 14.412 -18.761 283 HB3 TRP 37 3HB TRP 37 1.971 13.400 -19.149 284 HD1 TRP 37 HD1 TRP 37 2.957 16.975 -18.545 285 HE1 TRP 37 HE1 TRP 37 0.898 18.496 -18.812 286 HE3 TRP 37 HE3 TRP 37 -0.683 13.389 -18.728 287 HZ2 TRP 37 HZ2 TRP 37 -1.899 18.214 -19.067 288 HZ3 TRP 37 HZ3 TRP 37 -3.025 14.098 -18.984 289 HH2 TRP 37 HH2 TRP 37 -3.619 16.461 -19.149 290 H ALA 38 H ALA 38 0.766 11.630 -17.257 291 HA ALA 38 HA ALA 38 -1.633 13.001 -16.513 292 HB1 ALA 38 1HB ALA 38 -1.439 10.024 -16.547 293 HB2 ALA 38 2HB ALA 38 -2.757 11.072 -17.075 294 HB3 ALA 38 3HB ALA 38 -1.300 10.924 -18.058 295 H ILE 39 H ILE 39 -0.080 10.149 -15.032 296 HA ILE 39 HA ILE 39 -1.477 10.152 -12.654 297 HB ILE 39 HB ILE 39 1.395 9.337 -13.108 298 HG12 ILE 39 2HG1 ILE 39 -1.082 7.614 -12.957 299 HG13 ILE 39 3HG1 ILE 39 -0.409 8.206 -14.472 300 HG21 ILE 39 1HG2 ILE 39 -0.444 8.938 -10.771 301 HG22 ILE 39 2HG2 ILE 39 0.908 7.853 -11.087 302 HG23 ILE 39 3HG2 ILE 39 1.204 9.565 -10.785 303 HD11 ILE 39 1HD1 ILE 39 0.294 5.934 -14.053 304 HD12 ILE 39 2HD1 ILE 39 1.680 7.023 -13.987 305 HD13 ILE 39 3HD1 ILE 39 0.971 6.406 -12.495 306 H ARG 40 H ARG 40 1.467 11.931 -13.480 307 HA ARG 40 HA ARG 40 1.944 12.988 -10.904 308 HB2 ARG 40 2HB ARG 40 3.698 12.976 -12.568 309 HB3 ARG 40 3HB ARG 40 2.744 13.994 -13.638 310 HG2 ARG 40 2HG ARG 40 3.061 15.887 -12.321 311 HG3 ARG 40 3HG ARG 40 3.541 14.939 -10.912 312 HD2 ARG 40 2HD ARG 40 5.663 14.537 -11.745 313 HD3 ARG 40 3HD ARG 40 5.173 14.830 -13.413 314 HE ARG 40 HE ARG 40 4.957 17.173 -11.799 315 HH11 ARG 40 1HH1 ARG 40 7.192 15.182 -13.577 316 HH12 ARG 40 2HH1 ARG 40 8.315 16.471 -13.863 317 HH21 ARG 40 1HH2 ARG 40 6.427 18.878 -12.170 318 HH22 ARG 40 2HH2 ARG 40 7.879 18.573 -13.062 319 H MET 41 H MET 41 0.565 14.574 -13.791 320 HA MET 41 HA MET 41 -0.169 16.966 -12.633 321 HB2 MET 41 2HB MET 41 -0.290 16.527 -15.044 322 HB3 MET 41 3HB MET 41 -1.651 15.444 -14.784 323 HG2 MET 41 2HG MET 41 -2.550 17.483 -15.543 324 HG3 MET 41 3HG MET 41 -2.888 17.399 -13.815 325 HE1 MET 41 1HE MET 41 -2.673 21.029 -14.515 326 HE2 MET 41 2HE MET 41 -3.613 19.595 -14.102 327 HE3 MET 41 3HE MET 41 -2.650 20.404 -12.866 328 H ALA 42 H ALA 42 -1.726 13.849 -12.417 329 HA ALA 42 HA ALA 42 -4.213 14.756 -11.392 330 HB1 ALA 42 1HB ALA 42 -4.161 12.592 -12.342 331 HB2 ALA 42 2HB ALA 42 -2.830 12.087 -11.301 332 HB3 ALA 42 3HB ALA 42 -4.431 12.364 -10.614 333 H ASN 43 H ASN 43 -1.294 13.456 -9.825 334 HA ASN 43 HA ASN 43 -2.244 13.619 -7.187 335 HB2 ASN 43 2HB ASN 43 0.654 13.964 -7.926 336 HB3 ASN 43 3HB ASN 43 -0.030 13.182 -6.503 337 HD21 ASN 43 1HD2 ASN 43 1.881 12.198 -8.496 338 HD22 ASN 43 2HD2 ASN 43 1.189 10.747 -9.132 339 H VAL 44 H VAL 44 -0.150 15.855 -9.006 340 HA VAL 44 HA VAL 44 0.088 17.811 -7.026 341 HB VAL 44 HB VAL 44 0.084 18.228 -10.019 342 HG11 VAL 44 1HG1 VAL 44 0.107 20.384 -9.372 343 HG12 VAL 44 2HG1 VAL 44 0.599 19.994 -7.723 344 HG13 VAL 44 3HG1 VAL 44 1.802 20.058 -9.011 345 HG21 VAL 44 1HG2 VAL 44 1.691 16.512 -9.211 346 HG22 VAL 44 2HG2 VAL 44 2.467 17.921 -9.934 347 HG23 VAL 44 3HG2 VAL 44 2.424 17.741 -8.179 348 H SER 45 H SER 45 -2.279 17.497 -9.653 349 HA SER 45 HA SER 45 -3.661 19.874 -9.277 350 HB2 SER 45 2HB SER 45 -4.133 18.538 -11.211 351 HB3 SER 45 3HB SER 45 -4.631 17.170 -10.217 352 HG SER 45 HG SER 45 -5.960 19.639 -10.593 353 H THR 46 H THR 46 -3.674 16.969 -7.389 354 HA THR 46 HA THR 46 -6.021 17.831 -5.871 355 HB THR 46 HB THR 46 -5.291 15.574 -4.608 356 HG1 THR 46 HG1 THR 46 -4.403 14.130 -6.094 357 HG21 THR 46 1HG2 THR 46 -7.228 14.831 -5.450 358 HG22 THR 46 2HG2 THR 46 -6.624 14.896 -7.105 359 HG23 THR 46 3HG2 THR 46 -7.291 16.344 -6.352 360 H GLY 47 H GLY 47 -2.573 17.738 -5.686 361 HA2 GLY 47 2HA GLY 47 -1.284 18.977 -4.166 362 HA3 GLY 47 3HA GLY 47 -2.689 19.112 -3.118 363 H ARG 48 H ARG 48 -0.964 16.317 -4.500 364 HA ARG 48 HA ARG 48 -0.494 15.374 -1.750 365 HB2 ARG 48 2HB ARG 48 -2.335 14.210 -3.265 366 HB3 ARG 48 3HB ARG 48 -0.929 13.396 -3.939 367 HG2 ARG 48 2HG ARG 48 -0.434 12.323 -1.946 368 HG3 ARG 48 3HG ARG 48 -1.363 13.472 -0.984 369 HD2 ARG 48 2HD ARG 48 -2.834 11.889 -3.011 370 HD3 ARG 48 3HD ARG 48 -2.260 11.034 -1.580 371 HE ARG 48 HE ARG 48 -3.630 13.454 -0.926 372 HH11 ARG 48 1HH1 ARG 48 -4.074 10.112 -1.797 373 HH12 ARG 48 2HH1 ARG 48 -5.622 9.981 -1.029 374 HH21 ARG 48 1HH2 ARG 48 -5.668 13.295 0.088 375 HH22 ARG 48 2HH2 ARG 48 -6.528 11.793 0.041 376 H GLU 49 H GLU 49 1.408 16.835 -3.046 377 HA GLU 49 HA GLU 49 3.617 16.822 -3.587 378 HB2 GLU 49 2HB GLU 49 3.186 14.283 -2.187 379 HB3 GLU 49 3HB GLU 49 4.566 14.261 -3.276 380 HG2 GLU 49 2HG GLU 49 5.603 15.007 -1.412 381 HG3 GLU 49 3HG GLU 49 5.087 16.558 -2.072 382 HA PRO 50 HA PRO 50 4.010 15.508 -7.753 383 HB2 PRO 50 2HB PRO 50 6.693 15.193 -8.016 384 HB3 PRO 50 3HB PRO 50 5.922 16.777 -7.873 385 HG2 PRO 50 2HG PRO 50 7.294 15.142 -5.773 386 HG3 PRO 50 3HG PRO 50 7.403 16.884 -6.083 387 HD2 PRO 50 2HD PRO 50 5.862 15.849 -4.113 388 HD3 PRO 50 3HD PRO 50 5.425 17.331 -4.988 389 H GLY 51 H GLY 51 6.143 13.581 -5.631 390 HA2 GLY 51 2HA GLY 51 5.955 11.284 -7.371 391 HA3 GLY 51 3HA GLY 51 6.804 11.366 -5.835 392 H ASP 52 H ASP 52 3.591 11.087 -7.285 393 HA ASP 52 HA ASP 52 2.738 9.619 -4.876 394 HB2 ASP 52 2HB ASP 52 1.581 11.941 -6.065 395 HB3 ASP 52 3HB ASP 52 0.460 10.598 -6.280 396 H ILE 53 H ILE 53 3.011 7.551 -5.538 397 HA ILE 53 HA ILE 53 1.711 6.751 -8.059 398 HB ILE 53 HB ILE 53 3.936 5.350 -6.572 399 HG12 ILE 53 2HG1 ILE 53 4.612 7.447 -7.727 400 HG13 ILE 53 3HG1 ILE 53 5.361 6.011 -8.417 401 HG21 ILE 53 1HG2 ILE 53 2.318 4.629 -8.980 402 HG22 ILE 53 2HG2 ILE 53 3.984 4.070 -8.830 403 HG23 ILE 53 3HG2 ILE 53 2.791 3.627 -7.608 404 HD11 ILE 53 1HD1 ILE 53 2.916 6.533 -9.785 405 HD12 ILE 53 2HD1 ILE 53 3.885 8.005 -9.732 406 HD13 ILE 53 3HD1 ILE 53 4.565 6.526 -10.410 407 HA PRO 54 HA PRO 54 -0.828 4.927 -4.639 408 HB2 PRO 54 2HB PRO 54 -3.211 5.445 -5.831 409 HB3 PRO 54 3HB PRO 54 -2.372 6.619 -4.810 410 HG2 PRO 54 2HG PRO 54 -2.453 6.421 -7.796 411 HG3 PRO 54 3HG PRO 54 -2.582 7.860 -6.766 412 HD2 PRO 54 2HD PRO 54 -0.286 7.172 -8.026 413 HD3 PRO 54 3HD PRO 54 -0.302 7.994 -6.453 414 H GLU 55 H GLU 55 -1.056 2.788 -4.680 415 HA GLU 55 HA GLU 55 -1.839 1.503 -7.214 416 HB2 GLU 55 2HB GLU 55 0.564 1.164 -6.044 417 HB3 GLU 55 3HB GLU 55 -0.345 -0.088 -5.210 418 HG2 GLU 55 2HG GLU 55 -0.191 0.177 -8.201 419 HG3 GLU 55 3HG GLU 55 0.855 -0.865 -7.239 420 H THR 56 H THR 56 -3.803 2.361 -5.539 421 HA THR 56 HA THR 56 -4.957 -0.172 -4.660 422 HB THR 56 HB THR 56 -5.630 0.596 -2.513 423 HG1 THR 56 HG1 THR 56 -5.306 2.722 -1.837 424 HG21 THR 56 1HG2 THR 56 -3.317 -0.203 -2.621 425 HG22 THR 56 2HG2 THR 56 -3.500 1.049 -1.393 426 HG23 THR 56 3HG2 THR 56 -2.762 1.439 -2.946 427 H LEU 57 H LEU 57 -7.066 -0.344 -5.153 428 HA LEU 57 HA LEU 57 -8.338 1.386 -6.885 429 HB2 LEU 57 2HB LEU 57 -9.057 -0.900 -6.574 430 HB3 LEU 57 3HB LEU 57 -9.549 -0.551 -4.919 431 HG LEU 57 HG LEU 57 -11.285 0.994 -5.840 432 HD11 LEU 57 1HD1 LEU 57 -9.935 1.047 -8.104 433 HD12 LEU 57 2HD1 LEU 57 -11.687 1.244 -8.071 434 HD13 LEU 57 3HD1 LEU 57 -10.982 -0.318 -8.490 435 HD21 LEU 57 1HD2 LEU 57 -11.698 -1.390 -5.177 436 HD22 LEU 57 2HD2 LEU 57 -11.535 -1.823 -6.879 437 HD23 LEU 57 3HD2 LEU 57 -12.828 -0.740 -6.364 438 H ASP 58 H ASP 58 -8.196 1.469 -3.403 439 HA ASP 58 HA ASP 58 -10.348 3.272 -2.988 440 HB2 ASP 58 2HB ASP 58 -7.991 2.397 -1.344 441 HB3 ASP 58 3HB ASP 58 -9.021 3.717 -0.791 442 H GLN 59 H GLN 59 -6.897 3.691 -3.564 443 HA GLN 59 HA GLN 59 -6.917 6.516 -3.122 444 HB2 GLN 59 2HB GLN 59 -4.958 4.494 -4.033 445 HB3 GLN 59 3HB GLN 59 -4.688 6.137 -4.599 446 HG2 GLN 59 2HG GLN 59 -3.901 6.775 -2.630 447 HG3 GLN 59 3HG GLN 59 -5.288 6.094 -1.780 448 HE21 GLN 59 1HE2 GLN 59 -2.238 5.183 -3.319 449 HE22 GLN 59 2HE2 GLN 59 -1.877 3.884 -2.239 450 H LEU 60 H LEU 60 -6.569 4.548 -6.077 451 HA LEU 60 HA LEU 60 -6.619 6.595 -7.933 452 HB2 LEU 60 2HB LEU 60 -7.474 3.734 -8.018 453 HB3 LEU 60 3HB LEU 60 -7.764 4.777 -9.408 454 HG LEU 60 HG LEU 60 -5.737 3.472 -9.707 455 HD11 LEU 60 1HD1 LEU 60 -4.410 5.182 -10.514 456 HD12 LEU 60 2HD1 LEU 60 -4.788 6.254 -9.166 457 HD13 LEU 60 3HD1 LEU 60 -5.994 5.952 -10.418 458 HD21 LEU 60 1HD2 LEU 60 -5.272 3.307 -7.225 459 HD22 LEU 60 2HD2 LEU 60 -4.569 4.921 -7.343 460 HD23 LEU 60 3HD2 LEU 60 -3.873 3.585 -8.262 461 H ARG 61 H ARG 61 -9.298 5.011 -6.295 462 HA ARG 61 HA ARG 61 -11.362 6.174 -7.854 463 HB2 ARG 61 2HB ARG 61 -11.843 4.203 -6.574 464 HB3 ARG 61 3HB ARG 61 -11.352 4.988 -5.079 465 HG2 ARG 61 2HG ARG 61 -13.286 6.239 -4.943 466 HG3 ARG 61 3HG ARG 61 -13.614 6.108 -6.672 467 HD2 ARG 61 2HD ARG 61 -15.078 4.518 -6.103 468 HD3 ARG 61 3HD ARG 61 -13.666 3.493 -5.852 469 HE ARG 61 HE ARG 61 -14.166 4.955 -3.507 470 HH11 ARG 61 1HH1 ARG 61 -15.536 2.377 -5.405 471 HH12 ARG 61 2HH1 ARG 61 -16.296 1.609 -4.051 472 HH21 ARG 61 1HH2 ARG 61 -15.164 3.954 -1.717 473 HH22 ARG 61 2HH2 ARG 61 -16.085 2.508 -1.953 474 H LEU 62 H LEU 62 -10.159 6.957 -4.589 475 HA LEU 62 HA LEU 62 -11.722 9.206 -4.134 476 HB2 LEU 62 2HB LEU 62 -9.385 7.985 -2.980 477 HB3 LEU 62 3HB LEU 62 -9.230 9.741 -2.970 478 HG LEU 62 HG LEU 62 -10.164 8.802 -0.874 479 HD11 LEU 62 1HD1 LEU 62 -12.392 10.368 -2.028 480 HD12 LEU 62 2HD1 LEU 62 -10.786 11.094 -2.084 481 HD13 LEU 62 3HD1 LEU 62 -11.482 10.613 -0.537 482 HD21 LEU 62 1HD2 LEU 62 -11.664 7.219 -2.571 483 HD22 LEU 62 2HD2 LEU 62 -12.832 8.378 -1.938 484 HD23 LEU 62 3HD2 LEU 62 -11.884 7.386 -0.829 485 H VAL 63 H VAL 63 -8.669 8.891 -5.863 486 HA VAL 63 HA VAL 63 -8.125 11.636 -6.182 487 HB VAL 63 HB VAL 63 -7.353 9.338 -7.985 488 HG11 VAL 63 1HG1 VAL 63 -5.440 10.936 -8.544 489 HG12 VAL 63 2HG1 VAL 63 -7.018 11.280 -9.254 490 HG13 VAL 63 3HG1 VAL 63 -6.459 12.200 -7.857 491 HG21 VAL 63 1HG2 VAL 63 -6.602 9.877 -5.349 492 HG22 VAL 63 2HG2 VAL 63 -5.827 8.759 -6.473 493 HG23 VAL 63 3HG2 VAL 63 -5.250 10.421 -6.343 494 H ILE 64 H ILE 64 -9.636 9.321 -8.435 495 HA ILE 64 HA ILE 64 -10.220 11.091 -10.488 496 HB ILE 64 HB ILE 64 -11.837 8.695 -9.611 497 HG12 ILE 64 2HG1 ILE 64 -9.952 8.705 -11.932 498 HG13 ILE 64 3HG1 ILE 64 -9.288 8.564 -10.307 499 HG21 ILE 64 1HG2 ILE 64 -11.815 10.183 -12.234 500 HG22 ILE 64 2HG2 ILE 64 -12.667 8.672 -11.925 501 HG23 ILE 64 3HG2 ILE 64 -13.136 10.139 -11.066 502 HD11 ILE 64 1HD1 ILE 64 -11.298 6.725 -11.582 503 HD12 ILE 64 2HD1 ILE 64 -9.595 6.383 -11.279 504 HD13 ILE 64 3HD1 ILE 64 -10.704 6.596 -9.926 505 H CYS 65 H CYS 65 -11.878 10.546 -7.457 506 HA CYS 65 HA CYS 65 -14.268 11.933 -8.141 507 HB2 CYS 65 2HB CYS 65 -13.261 10.484 -5.901 508 HB3 CYS 65 3HB CYS 65 -13.808 12.056 -5.330 509 HG CYS 65 HG CYS 65 -16.312 11.536 -6.918 510 H ASP 66 H ASP 66 -11.635 12.859 -5.917 511 HA ASP 66 HA ASP 66 -12.403 15.511 -5.578 512 HB2 ASP 66 2HB ASP 66 -10.015 13.906 -5.051 513 HB3 ASP 66 3HB ASP 66 -9.649 15.597 -5.384 514 H LEU 67 H LEU 67 -10.139 14.111 -7.930 515 HA LEU 67 HA LEU 67 -9.307 16.466 -9.153 516 HB2 LEU 67 2HB LEU 67 -8.579 13.977 -9.471 517 HB3 LEU 67 3HB LEU 67 -9.775 13.996 -10.765 518 HG LEU 67 HG LEU 67 -7.508 14.373 -11.604 519 HD11 LEU 67 1HD1 LEU 67 -9.692 15.563 -12.457 520 HD12 LEU 67 2HD1 LEU 67 -8.112 15.967 -13.127 521 HD13 LEU 67 3HD1 LEU 67 -8.845 17.012 -11.911 522 HD21 LEU 67 1HD2 LEU 67 -7.553 16.923 -9.998 523 HD22 LEU 67 2HD2 LEU 67 -6.255 16.342 -11.041 524 HD23 LEU 67 3HD2 LEU 67 -6.645 15.478 -9.553 525 H GLN 68 H GLN 68 -12.067 14.374 -9.945 526 HA GLN 68 HA GLN 68 -12.981 15.716 -12.197 527 HB2 GLN 68 2HB GLN 68 -13.926 13.594 -11.623 528 HB3 GLN 68 3HB GLN 68 -14.484 14.195 -10.067 529 HG2 GLN 68 2HG GLN 68 -16.272 15.293 -10.972 530 HG3 GLN 68 3HG GLN 68 -15.496 15.495 -12.541 531 HE21 GLN 68 1HE2 GLN 68 -16.433 12.800 -10.425 532 HE22 GLN 68 2HE2 GLN 68 -17.185 11.864 -11.667 533 H GLU 69 H GLU 69 -13.742 16.293 -8.781 534 HA GLU 69 HA GLU 69 -15.648 18.299 -9.126 535 HB2 GLU 69 2HB GLU 69 -13.862 17.422 -6.937 536 HB3 GLU 69 3HB GLU 69 -14.466 19.068 -6.816 537 HG2 GLU 69 2HG GLU 69 -16.122 16.568 -7.054 538 HG3 GLU 69 3HG GLU 69 -15.906 17.556 -5.611 539 H ARG 70 H ARG 70 -12.125 18.571 -8.734 540 HA ARG 70 HA ARG 70 -12.055 21.397 -8.923 541 HB2 ARG 70 2HB ARG 70 -9.840 19.438 -9.551 542 HB3 ARG 70 3HB ARG 70 -9.653 21.144 -9.167 543 HG2 ARG 70 2HG ARG 70 -10.536 20.722 -6.917 544 HG3 ARG 70 3HG ARG 70 -10.673 19.006 -7.308 545 HD2 ARG 70 2HD ARG 70 -8.619 18.885 -6.401 546 HD3 ARG 70 3HD ARG 70 -8.093 19.474 -7.978 547 HE ARG 70 HE ARG 70 -7.445 21.412 -6.970 548 HH11 ARG 70 1HH1 ARG 70 -9.755 19.814 -4.914 549 HH12 ARG 70 2HH1 ARG 70 -9.584 20.951 -3.618 550 HH21 ARG 70 1HH2 ARG 70 -7.211 22.916 -5.270 551 HH22 ARG 70 2HH2 ARG 70 -8.137 22.714 -3.822 552 H ARG 71 H ARG 71 -11.871 18.807 -11.286 553 HA ARG 71 HA ARG 71 -10.934 20.237 -13.487 554 HB2 ARG 71 2HB ARG 71 -11.158 17.796 -13.469 555 HB3 ARG 71 3HB ARG 71 -12.909 17.948 -13.432 556 HG2 ARG 71 2HG ARG 71 -11.526 19.309 -15.655 557 HG3 ARG 71 3HG ARG 71 -11.507 17.545 -15.673 558 HD2 ARG 71 2HD ARG 71 -14.131 18.453 -14.996 559 HD3 ARG 71 3HD ARG 71 -13.591 19.281 -16.457 560 HE ARG 71 HE ARG 71 -12.976 16.660 -16.896 561 HH11 ARG 71 1HH1 ARG 71 -15.877 18.399 -16.067 562 HH12 ARG 71 2HH1 ARG 71 -16.932 17.284 -16.870 563 HH21 ARG 71 1HH2 ARG 71 -14.355 15.184 -17.956 564 HH22 ARG 71 2HH2 ARG 71 -16.065 15.454 -17.942 565 H GLU 72 H GLU 72 -14.279 19.695 -12.406 566 HA GLU 72 HA GLU 72 -15.488 21.185 -14.482 567 HB2 GLU 72 2HB GLU 72 -16.335 19.723 -12.176 568 HB3 GLU 72 3HB GLU 72 -17.123 21.295 -12.161 569 HG2 GLU 72 2HG GLU 72 -18.472 20.760 -13.846 570 HG3 GLU 72 3HG GLU 72 -17.165 20.035 -14.781 571 H LYS 73 H LYS 73 -14.877 22.030 -11.072 572 HA LYS 73 HA LYS 73 -15.757 24.669 -11.190 573 HB2 LYS 73 2HB LYS 73 -14.238 23.018 -9.355 574 HB3 LYS 73 3HB LYS 73 -13.629 24.668 -9.379 575 HG2 LYS 73 2HG LYS 73 -15.209 24.931 -7.788 576 HG3 LYS 73 3HG LYS 73 -16.236 25.197 -9.198 577 HD2 LYS 73 2HD LYS 73 -17.214 23.107 -9.041 578 HD3 LYS 73 3HD LYS 73 -15.859 22.427 -8.137 579 HE2 LYS 73 2HE LYS 73 -17.658 24.557 -7.009 580 HE3 LYS 73 3HE LYS 73 -18.005 22.837 -6.844 581 HZ1 LYS 73 1HZ LYS 73 -15.653 22.701 -5.891 582 HZ2 LYS 73 2HZ LYS 73 -16.862 23.369 -4.914 583 HZ3 LYS 73 3HZ LYS 73 -15.761 24.380 -5.706 584 H PHE 74 H PHE 74 -12.828 23.226 -12.340 585 HA PHE 74 HA PHE 74 -11.386 25.708 -12.571 586 HB2 PHE 74 2HB PHE 74 -10.220 23.554 -12.220 587 HB3 PHE 74 3HB PHE 74 -10.787 23.007 -13.794 588 HD1 PHE 74 HD1 PHE 74 -9.791 23.808 -15.823 589 HD2 PHE 74 HD2 PHE 74 -8.514 25.284 -12.040 590 HE1 PHE 74 HE1 PHE 74 -7.806 24.802 -16.885 591 HE2 PHE 74 HE2 PHE 74 -6.529 26.282 -13.096 592 HZ PHE 74 HZ PHE 74 -6.173 26.042 -15.521 593 H GLY 75 H GLY 75 -13.385 23.695 -14.622 594 HA2 GLY 75 2HA GLY 75 -14.600 24.620 -16.456 595 HA3 GLY 75 3HA GLY 75 -13.335 25.825 -16.645 596 H SER 76 H SER 76 -13.648 25.087 -18.941 597 HA SER 76 HA SER 76 -12.990 22.587 -19.906 598 HB2 SER 76 2HB SER 76 -13.405 25.162 -20.999 599 HB3 SER 76 3HB SER 76 -11.873 24.581 -21.651 600 HG SER 76 HG SER 76 -13.164 22.553 -22.041 601 H SER 77 H SER 77 -11.133 21.510 -20.406 602 HA SER 77 HA SER 77 -8.561 22.593 -20.545 603 HB2 SER 77 2HB SER 77 -8.607 23.095 -18.229 604 HB3 SER 77 3HB SER 77 -9.363 21.553 -17.829 605 HG SER 77 HG SER 77 -6.717 21.972 -18.765 606 H LYS 78 H LYS 78 -8.185 21.187 -22.182 607 HA LYS 78 HA LYS 78 -8.909 18.503 -22.304 608 HB2 LYS 78 2HB LYS 78 -6.652 20.015 -23.613 609 HB3 LYS 78 3HB LYS 78 -6.997 18.329 -23.976 610 HG2 LYS 78 2HG LYS 78 -9.232 18.941 -24.734 611 HG3 LYS 78 3HG LYS 78 -8.901 20.633 -24.355 612 HD2 LYS 78 2HD LYS 78 -8.536 20.426 -26.674 613 HD3 LYS 78 3HD LYS 78 -6.927 20.446 -25.947 614 HE2 LYS 78 2HE LYS 78 -8.165 17.789 -26.265 615 HE3 LYS 78 3HE LYS 78 -7.745 18.621 -27.761 616 HZ1 LYS 78 1HZ LYS 78 -5.543 18.476 -27.332 617 HZ2 LYS 78 2HZ LYS 78 -6.029 17.122 -26.444 618 HZ3 LYS 78 3HZ LYS 78 -5.728 18.586 -25.654 619 H GLU 79 H GLU 79 -6.340 20.040 -20.583 620 HA GLU 79 HA GLU 79 -4.664 17.759 -20.278 621 HB2 GLU 79 2HB GLU 79 -4.879 20.271 -18.608 622 HB3 GLU 79 3HB GLU 79 -3.600 19.073 -18.463 623 HG2 GLU 79 2HG GLU 79 -4.138 20.982 -20.702 624 HG3 GLU 79 3HG GLU 79 -2.667 20.765 -19.756 625 H ILE 80 H ILE 80 -6.673 19.433 -17.848 626 HA ILE 80 HA ILE 80 -6.556 17.526 -15.863 627 HB ILE 80 HB ILE 80 -8.933 19.267 -16.530 628 HG12 ILE 80 2HG1 ILE 80 -6.584 19.759 -14.685 629 HG13 ILE 80 3HG1 ILE 80 -6.849 20.545 -16.238 630 HG21 ILE 80 1HG2 ILE 80 -8.162 17.874 -13.970 631 HG22 ILE 80 2HG2 ILE 80 -9.483 19.027 -14.142 632 HG23 ILE 80 3HG2 ILE 80 -9.538 17.489 -15.003 633 HD11 ILE 80 1HD1 ILE 80 -8.435 20.850 -13.711 634 HD12 ILE 80 2HD1 ILE 80 -7.528 22.079 -14.593 635 HD13 ILE 80 3HD1 ILE 80 -9.013 21.417 -15.278 636 H ASP 81 H ASP 81 -8.531 17.573 -18.751 637 HA ASP 81 HA ASP 81 -10.304 15.490 -17.984 638 HB2 ASP 81 2HB ASP 81 -10.405 17.268 -19.953 639 HB3 ASP 81 3HB ASP 81 -9.652 15.957 -20.857 640 H MET 82 H MET 82 -7.303 15.565 -19.868 641 HA MET 82 HA MET 82 -7.296 12.805 -20.506 642 HB2 MET 82 2HB MET 82 -5.828 14.965 -21.298 643 HB3 MET 82 3HB MET 82 -4.673 14.121 -20.274 644 HG2 MET 82 2HG MET 82 -5.710 12.096 -21.797 645 HG3 MET 82 3HG MET 82 -5.672 13.450 -22.924 646 HE1 MET 82 1HE MET 82 -3.693 15.162 -22.480 647 HE2 MET 82 2HE MET 82 -2.004 14.655 -22.459 648 HE3 MET 82 3HE MET 82 -2.976 14.425 -23.913 649 H ALA 83 H ALA 83 -6.074 14.663 -17.794 650 HA ALA 83 HA ALA 83 -4.436 12.683 -16.646 651 HB1 ALA 83 1HB ALA 83 -5.927 14.928 -15.293 652 HB2 ALA 83 2HB ALA 83 -4.606 13.995 -14.588 653 HB3 ALA 83 3HB ALA 83 -4.309 15.025 -15.989 654 H ILE 84 H ILE 84 -7.742 13.669 -15.726 655 HA ILE 84 HA ILE 84 -8.207 11.672 -13.852 656 HB ILE 84 HB ILE 84 -9.718 13.536 -14.032 657 HG12 ILE 84 2HG1 ILE 84 -11.473 11.280 -14.902 658 HG13 ILE 84 3HG1 ILE 84 -10.501 11.074 -13.449 659 HG21 ILE 84 1HG2 ILE 84 -10.620 12.434 -16.688 660 HG22 ILE 84 2HG2 ILE 84 -11.166 13.916 -15.904 661 HG23 ILE 84 3HG2 ILE 84 -9.511 13.792 -16.499 662 HD11 ILE 84 1HD1 ILE 84 -12.879 11.922 -13.171 663 HD12 ILE 84 2HD1 ILE 84 -11.601 12.808 -12.336 664 HD13 ILE 84 3HD1 ILE 84 -12.287 13.447 -13.830 665 H VAL 85 H VAL 85 -8.743 11.649 -17.351 666 HA VAL 85 HA VAL 85 -10.035 9.157 -17.511 667 HB VAL 85 HB VAL 85 -8.346 10.612 -19.547 668 HG11 VAL 85 1HG1 VAL 85 -10.066 8.157 -19.862 669 HG12 VAL 85 2HG1 VAL 85 -9.453 9.122 -21.207 670 HG13 VAL 85 3HG1 VAL 85 -8.328 8.286 -20.134 671 HG21 VAL 85 1HG2 VAL 85 -10.213 11.698 -20.194 672 HG22 VAL 85 2HG2 VAL 85 -11.257 10.311 -19.884 673 HG23 VAL 85 3HG2 VAL 85 -10.744 11.344 -18.550 674 H THR 86 H THR 86 -6.651 10.041 -17.345 675 HA THR 86 HA THR 86 -5.608 7.507 -18.106 676 HB THR 86 HB THR 86 -4.344 9.760 -16.538 677 HG1 THR 86 HG1 THR 86 -3.709 9.003 -19.183 678 HG21 THR 86 1HG2 THR 86 -2.726 8.305 -16.023 679 HG22 THR 86 2HG2 THR 86 -2.337 8.266 -17.743 680 HG23 THR 86 3HG2 THR 86 -3.424 7.059 -17.057 681 H LEU 87 H LEU 87 -6.128 9.066 -14.953 682 HA LEU 87 HA LEU 87 -5.132 7.002 -13.353 683 HB2 LEU 87 2HB LEU 87 -7.416 8.828 -12.637 684 HB3 LEU 87 3HB LEU 87 -6.300 8.023 -11.535 685 HG LEU 87 HG LEU 87 -5.116 9.908 -13.487 686 HD11 LEU 87 1HD1 LEU 87 -7.361 10.790 -12.271 687 HD12 LEU 87 2HD1 LEU 87 -5.995 11.820 -12.698 688 HD13 LEU 87 3HD1 LEU 87 -6.150 11.197 -11.055 689 HD21 LEU 87 1HD2 LEU 87 -4.523 10.076 -10.620 690 HD22 LEU 87 2HD2 LEU 87 -3.434 9.956 -12.002 691 HD23 LEU 87 3HD2 LEU 87 -4.194 8.504 -11.348 692 H LYS 88 H LYS 88 -8.265 7.449 -14.860 693 HA LYS 88 HA LYS 88 -9.618 5.395 -13.440 694 HB2 LYS 88 2HB LYS 88 -10.144 6.884 -15.993 695 HB3 LYS 88 3HB LYS 88 -11.147 5.511 -15.545 696 HG2 LYS 88 2HG LYS 88 -12.200 6.642 -13.911 697 HG3 LYS 88 3HG LYS 88 -10.748 7.527 -13.439 698 HD2 LYS 88 2HD LYS 88 -11.307 9.289 -14.695 699 HD3 LYS 88 3HD LYS 88 -11.679 8.271 -16.088 700 HE2 LYS 88 2HE LYS 88 -13.864 7.726 -14.987 701 HE3 LYS 88 3HE LYS 88 -13.483 8.943 -13.768 702 HZ1 LYS 88 1HZ LYS 88 -14.616 9.314 -16.308 703 HZ2 LYS 88 2HZ LYS 88 -13.120 10.104 -16.280 704 HZ3 LYS 88 3HZ LYS 88 -14.294 10.476 -15.120 705 H VAL 89 H VAL 89 -8.517 5.454 -16.837 706 HA VAL 89 HA VAL 89 -8.881 2.738 -17.342 707 HB VAL 89 HB VAL 89 -8.514 4.328 -19.142 708 HG11 VAL 89 1HG1 VAL 89 -6.756 5.615 -17.786 709 HG12 VAL 89 2HG1 VAL 89 -5.601 4.449 -18.433 710 HG13 VAL 89 3HG1 VAL 89 -6.520 5.482 -19.529 711 HG21 VAL 89 1HG2 VAL 89 -6.148 2.538 -19.377 712 HG22 VAL 89 2HG2 VAL 89 -7.741 1.808 -19.179 713 HG23 VAL 89 3HG2 VAL 89 -7.426 2.880 -20.544 714 H PHE 90 H PHE 90 -6.118 4.462 -15.992 715 HA PHE 90 HA PHE 90 -4.334 2.254 -16.026 716 HB2 PHE 90 2HB PHE 90 -3.738 4.725 -15.803 717 HB3 PHE 90 3HB PHE 90 -4.204 4.580 -14.111 718 HD1 PHE 90 HD1 PHE 90 -1.604 4.129 -16.505 719 HD2 PHE 90 HD2 PHE 90 -2.996 2.845 -12.693 720 HE1 PHE 90 HE1 PHE 90 0.651 3.307 -15.962 721 HE2 PHE 90 HE2 PHE 90 -0.742 2.022 -12.143 722 HZ PHE 90 HZ PHE 90 1.085 2.253 -13.778 723 H ALA 91 H ALA 91 -6.456 3.621 -13.539 724 HA ALA 91 HA ALA 91 -5.729 2.036 -11.386 725 HB1 ALA 91 1HB ALA 91 -8.456 3.112 -12.093 726 HB2 ALA 91 2HB ALA 91 -8.003 2.459 -10.517 727 HB3 ALA 91 3HB ALA 91 -7.219 3.917 -11.128 728 H VAL 92 H VAL 92 -8.064 1.358 -13.965 729 HA VAL 92 HA VAL 92 -8.738 -1.228 -12.880 730 HB VAL 92 HB VAL 92 -10.416 0.054 -14.120 731 HG11 VAL 92 1HG1 VAL 92 -8.866 1.131 -15.708 732 HG12 VAL 92 2HG1 VAL 92 -8.683 -0.412 -16.543 733 HG13 VAL 92 3HG1 VAL 92 -10.253 0.392 -16.508 734 HG21 VAL 92 1HG2 VAL 92 -11.299 -1.740 -15.421 735 HG22 VAL 92 2HG2 VAL 92 -9.696 -2.439 -15.651 736 HG23 VAL 92 3HG2 VAL 92 -10.441 -2.450 -14.053 737 H ALA 93 H ALA 93 -6.693 0.045 -15.446 738 HA ALA 93 HA ALA 93 -6.080 -2.419 -16.682 739 HB1 ALA 93 1HB ALA 93 -3.995 -1.099 -17.446 740 HB2 ALA 93 2HB ALA 93 -5.589 -0.559 -17.979 741 HB3 ALA 93 3HB ALA 93 -4.773 0.274 -16.655 742 H GLY 94 H GLY 94 -5.148 -1.103 -13.685 743 HA2 GLY 94 2HA GLY 94 -2.800 -2.882 -13.542 744 HA3 GLY 94 3HA GLY 94 -3.066 -1.482 -12.512 745 H LEU 95 H LEU 95 -5.174 -1.645 -11.188 746 HA LEU 95 HA LEU 95 -4.938 -3.777 -9.410 747 HB2 LEU 95 2HB LEU 95 -7.102 -1.770 -9.921 748 HB3 LEU 95 3HB LEU 95 -7.303 -3.031 -8.706 749 HG LEU 95 HG LEU 95 -6.606 -0.992 -7.637 750 HD11 LEU 95 1HD1 LEU 95 -5.121 -1.965 -6.248 751 HD12 LEU 95 2HD1 LEU 95 -4.041 -2.442 -7.557 752 HD13 LEU 95 3HD1 LEU 95 -5.483 -3.397 -7.213 753 HD21 LEU 95 1HD2 LEU 95 -4.122 -1.054 -9.342 754 HD22 LEU 95 2HD2 LEU 95 -4.604 0.184 -8.181 755 HD23 LEU 95 3HD2 LEU 95 -5.517 -0.028 -9.676 756 H LEU 96 H LEU 96 -6.943 -3.386 -12.257 757 HA LEU 96 HA LEU 96 -8.168 -6.011 -11.768 758 HB2 LEU 96 2HB LEU 96 -9.079 -3.545 -12.962 759 HB3 LEU 96 3HB LEU 96 -9.291 -4.901 -14.069 760 HG LEU 96 HG LEU 96 -11.320 -4.535 -12.813 761 HD11 LEU 96 1HD1 LEU 96 -10.048 -6.937 -13.104 762 HD12 LEU 96 2HD1 LEU 96 -11.721 -6.721 -12.591 763 HD13 LEU 96 3HD1 LEU 96 -10.450 -6.929 -11.387 764 HD21 LEU 96 1HD2 LEU 96 -10.145 -3.469 -10.855 765 HD22 LEU 96 2HD2 LEU 96 -9.769 -5.099 -10.295 766 HD23 LEU 96 3HD2 LEU 96 -11.450 -4.583 -10.448 767 H ASN 97 H ASN 97 -5.604 -4.662 -13.365 768 HA ASN 97 HA ASN 97 -4.258 -5.292 -15.093 769 HB2 ASN 97 2HB ASN 97 -5.350 -8.077 -14.782 770 HB3 ASN 97 3HB ASN 97 -3.706 -7.572 -15.165 771 HD21 ASN 97 1HD2 ASN 97 -2.321 -6.992 -13.532 772 HD22 ASN 97 2HD2 ASN 97 -2.675 -7.258 -11.862 773 H MET 98 H MET 98 -6.977 -4.452 -15.755 774 HA MET 98 HA MET 98 -7.259 -5.852 -18.334 775 HB2 MET 98 2HB MET 98 -9.131 -6.056 -16.496 776 HB3 MET 98 3HB MET 98 -9.581 -4.455 -17.068 777 HG2 MET 98 2HG MET 98 -10.914 -5.999 -18.249 778 HG3 MET 98 3HG MET 98 -9.693 -5.419 -19.378 779 HE1 MET 98 1HE MET 98 -9.432 -8.692 -20.981 780 HE2 MET 98 2HE MET 98 -11.042 -8.268 -20.401 781 HE3 MET 98 3HE MET 98 -9.964 -7.012 -21.009 782 H THR 99 H THR 99 -6.450 -4.547 -19.844 783 HA THR 99 HA THR 99 -6.478 -1.681 -19.560 784 HB THR 99 HB THR 99 -4.539 -2.663 -20.595 785 HG1 THR 99 HG1 THR 99 -5.785 -0.671 -21.560 786 HG21 THR 99 1HG2 THR 99 -5.524 -3.491 -23.130 787 HG22 THR 99 2HG2 THR 99 -6.447 -4.330 -21.883 788 HG23 THR 99 3HG2 THR 99 -4.689 -4.452 -21.911 789 H VAL 100 H VAL 100 -8.421 -4.085 -21.110 790 HA VAL 100 HA VAL 100 -10.440 -3.933 -22.165 791 HB VAL 100 HB VAL 100 -10.330 -0.937 -21.892 792 HG11 VAL 100 1HG1 VAL 100 -12.862 -1.466 -21.548 793 HG12 VAL 100 2HG1 VAL 100 -12.175 -1.456 -23.174 794 HG13 VAL 100 3HG1 VAL 100 -12.455 -2.987 -22.341 795 HG21 VAL 100 1HG2 VAL 100 -11.697 -1.469 -19.744 796 HG22 VAL 100 2HG2 VAL 100 -10.853 -3.015 -19.805 797 HG23 VAL 100 3HG2 VAL 100 -9.935 -1.514 -19.687 798 H SER 101 H SER 101 -8.863 -0.883 -23.122 799 HA SER 101 HA SER 101 -7.923 -1.742 -25.610 800 HB2 SER 101 2HB SER 101 -9.871 -0.212 -26.780 801 HB3 SER 101 3HB SER 101 -9.870 -1.974 -26.734 802 HG SER 101 HG SER 101 -11.756 -0.557 -25.848 803 H THR 102 H THR 102 -9.818 1.125 -24.657 804 HA THR 102 HA THR 102 -7.369 2.734 -24.980 805 HB THR 102 HB THR 102 -8.595 4.524 -25.957 806 HG1 THR 102 HG1 THR 102 -11.010 3.053 -25.786 807 HG21 THR 102 1HG2 THR 102 -8.197 2.215 -27.264 808 HG22 THR 102 2HG2 THR 102 -8.921 3.633 -28.022 809 HG23 THR 102 3HG2 THR 102 -9.950 2.335 -27.417 810 H ALA 103 H ALA 103 -7.802 5.026 -23.971 811 HA ALA 103 HA ALA 103 -8.163 4.622 -21.186 812 HB1 ALA 103 1HB ALA 103 -8.247 7.372 -22.293 813 HB2 ALA 103 2HB ALA 103 -7.343 6.727 -20.923 814 HB3 ALA 103 3HB ALA 103 -6.787 6.422 -22.568 815 H ALA 104 H ALA 104 -10.215 5.857 -23.748 816 HA ALA 104 HA ALA 104 -12.228 6.919 -22.020 817 HB1 ALA 104 1HB ALA 104 -12.663 6.089 -24.874 818 HB2 ALA 104 2HB ALA 104 -13.467 7.368 -23.962 819 HB3 ALA 104 3HB ALA 104 -11.782 7.557 -24.447 820 H ALA 105 H ALA 105 -11.815 3.880 -23.789 821 HA ALA 105 HA ALA 105 -14.329 2.767 -23.245 822 HB1 ALA 105 1HB ALA 105 -11.798 1.167 -23.507 823 HB2 ALA 105 2HB ALA 105 -13.440 0.709 -23.967 824 HB3 ALA 105 3HB ALA 105 -12.579 1.944 -24.886 825 H ALA 106 H ALA 106 -11.232 2.322 -21.536 826 HA ALA 106 HA ALA 106 -12.269 0.690 -19.486 827 HB1 ALA 106 1HB ALA 106 -10.170 1.425 -18.251 828 HB2 ALA 106 2HB ALA 106 -9.942 0.624 -19.806 829 HB3 ALA 106 3HB ALA 106 -9.792 2.377 -19.687 830 H GLU 107 H GLU 107 -11.900 4.183 -19.788 831 HA GLU 107 HA GLU 107 -12.500 4.861 -17.125 832 HB2 GLU 107 2HB GLU 107 -11.511 6.513 -18.542 833 HB3 GLU 107 3HB GLU 107 -12.821 6.386 -19.708 834 HG2 GLU 107 2HG GLU 107 -13.605 7.154 -16.977 835 HG3 GLU 107 3HG GLU 107 -12.633 8.327 -17.864 836 H ASN 108 H ASN 108 -14.573 4.520 -19.983 837 HA ASN 108 HA ASN 108 -16.978 5.328 -18.799 838 HB2 ASN 108 2HB ASN 108 -16.353 4.770 -21.297 839 HB3 ASN 108 3HB ASN 108 -16.959 3.172 -20.875 840 HD21 ASN 108 1HD2 ASN 108 -19.110 3.343 -19.573 841 HD22 ASN 108 2HD2 ASN 108 -20.303 4.366 -20.292 842 H MET 109 H MET 109 -15.612 2.065 -19.193 843 HA MET 109 HA MET 109 -17.716 0.739 -17.838 844 HB2 MET 109 2HB MET 109 -15.642 -0.092 -19.364 845 HB3 MET 109 3HB MET 109 -15.025 -0.488 -17.766 846 HG2 MET 109 2HG MET 109 -17.488 -1.511 -17.552 847 HG3 MET 109 3HG MET 109 -17.253 -1.672 -19.291 848 HE1 MET 109 1HE MET 109 -14.646 -3.613 -16.035 849 HE2 MET 109 2HE MET 109 -15.160 -1.927 -16.061 850 HE3 MET 109 3HE MET 109 -16.340 -3.204 -15.763 851 H TYR 110 H TYR 110 -14.722 2.221 -16.784 852 HA TYR 110 HA TYR 110 -14.506 1.107 -14.235 853 HB2 TYR 110 2HB TYR 110 -12.687 2.397 -15.107 854 HB3 TYR 110 3HB TYR 110 -13.704 3.823 -15.284 855 HD1 TYR 110 HD1 TYR 110 -14.348 5.142 -13.318 856 HD2 TYR 110 HD2 TYR 110 -11.741 1.798 -12.975 857 HE1 TYR 110 HE1 TYR 110 -13.673 5.908 -11.081 858 HE2 TYR 110 HE2 TYR 110 -11.058 2.553 -10.736 859 HH TYR 110 HH TYR 110 -12.715 4.748 -8.951 860 H SER 111 H SER 111 -16.173 4.075 -15.265 861 HA SER 111 HA SER 111 -17.252 4.535 -12.636 862 HB2 SER 111 2HB SER 111 -18.320 6.472 -13.604 863 HB3 SER 111 3HB SER 111 -16.675 6.379 -14.235 864 HG SER 111 HG SER 111 -18.786 6.614 -15.659 865 H GLN 112 H GLN 112 -18.359 3.152 -15.662 866 HA GLN 112 HA GLN 112 -21.109 3.065 -15.116 867 HB2 GLN 112 2HB GLN 112 -20.070 2.635 -17.339 868 HB3 GLN 112 3HB GLN 112 -19.504 1.082 -16.737 869 HG2 GLN 112 2HG GLN 112 -21.394 0.259 -17.566 870 HG3 GLN 112 3HG GLN 112 -22.179 0.994 -16.169 871 HE21 GLN 112 1HE2 GLN 112 -22.192 0.769 -19.468 872 HE22 GLN 112 2HE2 GLN 112 -23.115 2.180 -19.841 873 H MET 113 H MET 113 -18.474 1.156 -13.941 874 HA MET 113 HA MET 113 -20.178 -0.980 -12.977 875 HB2 MET 113 2HB MET 113 -17.758 -1.233 -13.797 876 HB3 MET 113 3HB MET 113 -17.288 -0.552 -12.245 877 HG2 MET 113 2HG MET 113 -17.846 -2.418 -11.097 878 HG3 MET 113 3HG MET 113 -19.173 -2.824 -12.184 879 HE1 MET 113 1HE MET 113 -14.788 -3.456 -13.458 880 HE2 MET 113 2HE MET 113 -15.621 -1.902 -13.423 881 HE3 MET 113 3HE MET 113 -15.203 -2.714 -11.913 882 H GLY 114 H GLY 114 -18.872 2.004 -11.828 883 HA2 GLY 114 2HA GLY 114 -19.975 3.008 -9.902 884 HA3 GLY 114 3HA GLY 114 -20.000 1.414 -9.164 885 H LEU 115 H LEU 115 -17.159 2.416 -10.860 886 HA LEU 115 HA LEU 115 -15.674 2.384 -8.355 887 HB2 LEU 115 2HB LEU 115 -14.558 2.706 -11.128 888 HB3 LEU 115 3HB LEU 115 -13.714 2.180 -9.673 889 HG LEU 115 HG LEU 115 -15.814 0.612 -11.168 890 HD11 LEU 115 1HD1 LEU 115 -13.895 -0.909 -11.628 891 HD12 LEU 115 2HD1 LEU 115 -12.821 0.333 -10.983 892 HD13 LEU 115 3HD1 LEU 115 -13.783 0.661 -12.426 893 HD21 LEU 115 1HD2 LEU 115 -16.058 -0.580 -9.314 894 HD22 LEU 115 2HD2 LEU 115 -14.870 0.419 -8.476 895 HD23 LEU 115 3HD2 LEU 115 -14.347 -0.998 -9.387 896 H ASP 116 H ASP 116 -16.793 4.619 -10.745 897 HA ASP 116 HA ASP 116 -15.038 6.746 -9.799 898 HB2 ASP 116 2HB ASP 116 -15.678 6.366 -12.257 899 HB3 ASP 116 3HB ASP 116 -17.246 7.044 -11.827 900 H THR 117 H THR 117 -18.355 5.686 -9.564 901 HA THR 117 HA THR 117 -20.113 6.383 -8.299 902 HB THR 117 HB THR 117 -18.120 7.952 -6.664 903 HG1 THR 117 HG1 THR 117 -18.786 5.181 -6.526 904 HG21 THR 117 1HG2 THR 117 -19.913 6.822 -4.951 905 HG22 THR 117 2HG2 THR 117 -20.925 7.133 -6.362 906 HG23 THR 117 3HG2 THR 117 -20.041 8.456 -5.601 907 H ARG 118 H ARG 118 -21.145 7.639 -9.839 908 HA ARG 118 HA ARG 118 -20.752 10.543 -9.544 909 HB2 ARG 118 2HB ARG 118 -20.006 9.357 -11.774 910 HB3 ARG 118 3HB ARG 118 -21.729 9.388 -12.125 911 HG2 ARG 118 2HG ARG 118 -20.815 11.958 -11.187 912 HG3 ARG 118 3HG ARG 118 -19.884 11.412 -12.583 913 HD2 ARG 118 2HD ARG 118 -22.029 10.961 -13.758 914 HD3 ARG 118 3HD ARG 118 -22.880 11.673 -12.389 915 HE ARG 118 HE ARG 118 -21.528 13.066 -14.483 916 HH11 ARG 118 1HH1 ARG 118 -22.434 13.220 -11.125 917 HH12 ARG 118 2HH1 ARG 118 -22.419 14.952 -11.066 918 HH21 ARG 118 1HH2 ARG 118 -21.506 15.346 -14.418 919 HH22 ARG 118 2HH2 ARG 118 -21.892 16.161 -12.939 920 HA PRO 119 HA PRO 119 -25.132 9.343 -8.541 921 HB2 PRO 119 2HB PRO 119 -25.269 10.824 -6.270 922 HB3 PRO 119 3HB PRO 119 -24.660 9.165 -6.299 923 HG2 PRO 119 2HG PRO 119 -23.138 11.742 -6.281 924 HG3 PRO 119 3HG PRO 119 -22.827 10.253 -5.369 925 HD2 PRO 119 2HD PRO 119 -21.456 10.899 -7.614 926 HD3 PRO 119 3HD PRO 119 -21.809 9.219 -7.160 Start of MODEL 19 1 H1 GLY 2 H GLY 2 2.680 3.597 3.043 2 HA2 GLY 2 2HA GLY 2 4.961 3.339 2.500 3 HA3 GLY 2 3HA GLY 2 4.222 1.944 1.726 4 H ASN 3 H ASN 3 5.765 1.848 0.092 5 HA ASN 3 HA ASN 3 5.705 4.087 -1.822 6 HB2 ASN 3 2HB ASN 3 7.900 2.070 -1.303 7 HB3 ASN 3 3HB ASN 3 7.928 3.269 -2.593 8 HD21 ASN 3 1HD2 ASN 3 7.789 2.867 0.900 9 HD22 ASN 3 2HD2 ASN 3 8.541 4.374 1.286 10 H LEU 4 H LEU 4 5.523 3.627 -4.025 11 HA LEU 4 HA LEU 4 3.790 1.619 -4.783 12 HB2 LEU 4 2HB LEU 4 4.609 2.057 -7.111 13 HB3 LEU 4 3HB LEU 4 4.075 3.475 -6.213 14 HG LEU 4 HG LEU 4 6.955 2.953 -6.038 15 HD11 LEU 4 1HD1 LEU 4 7.046 2.351 -8.240 16 HD12 LEU 4 2HD1 LEU 4 7.108 4.106 -8.399 17 HD13 LEU 4 3HD1 LEU 4 5.589 3.250 -8.663 18 HD21 LEU 4 1HD2 LEU 4 5.289 5.035 -5.518 19 HD22 LEU 4 2HD2 LEU 4 5.925 5.484 -7.101 20 HD23 LEU 4 3HD2 LEU 4 7.030 5.178 -5.761 21 H LYS 5 H LYS 5 4.164 -0.476 -4.379 22 HA LYS 5 HA LYS 5 6.586 -1.790 -4.227 23 HB2 LYS 5 2HB LYS 5 3.800 -2.705 -4.844 24 HB3 LYS 5 3HB LYS 5 5.132 -3.849 -4.942 25 HG2 LYS 5 2HG LYS 5 5.704 -3.026 -2.559 26 HG3 LYS 5 3HG LYS 5 4.048 -2.415 -2.555 27 HD2 LYS 5 2HD LYS 5 3.320 -4.450 -2.036 28 HD3 LYS 5 3HD LYS 5 3.967 -5.057 -3.561 29 HE2 LYS 5 2HE LYS 5 5.958 -5.750 -2.585 30 HE3 LYS 5 3HE LYS 5 5.761 -4.685 -1.194 31 HZ1 LYS 5 1HZ LYS 5 4.119 -6.086 -0.289 32 HZ2 LYS 5 2HZ LYS 5 5.370 -7.114 -0.779 33 HZ3 LYS 5 3HZ LYS 5 3.966 -6.984 -1.716 34 H SER 6 H SER 6 7.926 -2.831 -5.635 35 HA SER 6 HA SER 6 8.179 -1.908 -8.240 36 HB2 SER 6 2HB SER 6 9.205 -4.488 -7.035 37 HB3 SER 6 3HB SER 6 9.746 -3.815 -8.572 38 HG SER 6 HG SER 6 10.112 -2.796 -5.967 39 H ARG 7 H ARG 7 6.231 -4.477 -6.972 40 HA ARG 7 HA ARG 7 5.769 -5.764 -9.499 41 HB2 ARG 7 2HB ARG 7 5.613 -6.836 -7.181 42 HB3 ARG 7 3HB ARG 7 4.057 -6.030 -7.036 43 HG2 ARG 7 2HG ARG 7 3.145 -7.790 -8.021 44 HG3 ARG 7 3HG ARG 7 3.974 -7.314 -9.506 45 HD2 ARG 7 2HD ARG 7 5.351 -8.954 -7.406 46 HD3 ARG 7 3HD ARG 7 4.316 -9.706 -8.619 47 HE ARG 7 HE ARG 7 6.178 -8.017 -9.887 48 HH11 ARG 7 1HH1 ARG 7 6.003 -11.045 -8.179 49 HH12 ARG 7 2HH1 ARG 7 7.368 -11.732 -8.992 50 HH21 ARG 7 1HH2 ARG 7 7.979 -8.910 -10.964 51 HH22 ARG 7 2HH2 ARG 7 8.492 -10.517 -10.575 52 H ASP 8 H ASP 8 3.496 -4.134 -7.283 53 HA ASP 8 HA ASP 8 1.431 -3.816 -9.112 54 HB2 ASP 8 2HB ASP 8 2.069 -2.858 -6.463 55 HB3 ASP 8 3HB ASP 8 1.300 -1.586 -7.408 56 H TRP 9 H TRP 9 4.366 -2.019 -8.734 57 HA TRP 9 HA TRP 9 3.505 0.292 -10.194 58 HB2 TRP 9 2HB TRP 9 5.299 0.567 -8.622 59 HB3 TRP 9 3HB TRP 9 6.241 -0.709 -9.390 60 HD1 TRP 9 HD1 TRP 9 8.271 0.437 -10.449 61 HE1 TRP 9 HE1 TRP 9 8.649 2.487 -11.959 62 HE3 TRP 9 HE3 TRP 9 3.493 2.253 -10.567 63 HZ2 TRP 9 HZ2 TRP 9 7.126 4.595 -13.053 64 HZ3 TRP 9 HZ3 TRP 9 3.038 4.291 -11.869 65 HH2 TRP 9 HH2 TRP 9 4.818 5.437 -13.085 66 H LYS 10 H LYS 10 6.020 -2.110 -10.994 67 HA LYS 10 HA LYS 10 6.209 -1.475 -13.697 68 HB2 LYS 10 2HB LYS 10 6.749 -4.071 -12.252 69 HB3 LYS 10 3HB LYS 10 7.161 -3.799 -13.941 70 HG2 LYS 10 2HG LYS 10 8.449 -1.741 -13.040 71 HG3 LYS 10 3HG LYS 10 8.342 -2.573 -11.487 72 HD2 LYS 10 2HD LYS 10 10.335 -3.400 -12.268 73 HD3 LYS 10 3HD LYS 10 9.219 -4.617 -12.893 74 HE2 LYS 10 2HE LYS 10 9.127 -3.187 -15.008 75 HE3 LYS 10 3HE LYS 10 10.537 -2.350 -14.360 76 HZ1 LYS 10 1HZ LYS 10 10.629 -5.268 -14.455 77 HZ2 LYS 10 2HZ LYS 10 11.868 -4.139 -14.687 78 HZ3 LYS 10 3HZ LYS 10 10.757 -4.442 -15.926 79 H MET 11 H MET 11 3.899 -3.448 -11.998 80 HA MET 11 HA MET 11 2.867 -4.777 -14.308 81 HB2 MET 11 2HB MET 11 1.875 -4.427 -11.488 82 HB3 MET 11 3HB MET 11 0.902 -5.232 -12.713 83 HG2 MET 11 2HG MET 11 3.650 -6.217 -12.515 84 HG3 MET 11 3HG MET 11 2.677 -6.459 -11.066 85 HE1 MET 11 1HE MET 11 4.097 -8.491 -12.894 86 HE2 MET 11 2HE MET 11 3.023 -9.622 -13.716 87 HE3 MET 11 3HE MET 11 3.535 -8.143 -14.530 88 H ALA 12 H ALA 12 1.458 -2.260 -12.203 89 HA ALA 12 HA ALA 12 -0.760 -1.650 -13.724 90 HB1 ALA 12 1HB ALA 12 -0.806 0.491 -12.594 91 HB2 ALA 12 2HB ALA 12 -0.339 -0.779 -11.463 92 HB3 ALA 12 3HB ALA 12 0.884 0.306 -12.124 93 H ILE 13 H ILE 13 2.553 -0.514 -14.101 94 HA ILE 13 HA ILE 13 1.894 1.358 -16.181 95 HB ILE 13 HB ILE 13 4.557 0.280 -15.252 96 HG12 ILE 13 2HG1 ILE 13 3.293 1.708 -13.645 97 HG13 ILE 13 3HG1 ILE 13 4.817 2.422 -14.161 98 HG21 ILE 13 1HG2 ILE 13 5.058 0.918 -17.406 99 HG22 ILE 13 2HG2 ILE 13 3.834 2.185 -17.430 100 HG23 ILE 13 3HG2 ILE 13 5.330 2.423 -16.527 101 HD11 ILE 13 1HD1 ILE 13 2.398 3.681 -14.124 102 HD12 ILE 13 2HD1 ILE 13 3.804 4.188 -15.060 103 HD13 ILE 13 3HD1 ILE 13 2.550 3.204 -15.815 104 H LYS 14 H LYS 14 2.880 -1.979 -15.993 105 HA LYS 14 HA LYS 14 3.717 -2.275 -18.688 106 HB2 LYS 14 2HB LYS 14 4.428 -3.908 -17.095 107 HB3 LYS 14 3HB LYS 14 2.771 -4.257 -16.619 108 HG2 LYS 14 2HG LYS 14 2.365 -5.549 -18.460 109 HG3 LYS 14 3HG LYS 14 3.561 -4.711 -19.450 110 HD2 LYS 14 2HD LYS 14 5.324 -5.922 -18.580 111 HD3 LYS 14 3HD LYS 14 4.461 -6.304 -17.088 112 HE2 LYS 14 2HE LYS 14 2.873 -7.572 -18.809 113 HE3 LYS 14 3HE LYS 14 4.369 -7.631 -19.740 114 HZ1 LYS 14 1HZ LYS 14 3.907 -9.550 -18.180 115 HZ2 LYS 14 2HZ LYS 14 4.255 -8.487 -16.911 116 HZ3 LYS 14 3HZ LYS 14 5.438 -8.840 -18.068 117 H ARG 15 H ARG 15 0.621 -2.643 -17.045 118 HA ARG 15 HA ARG 15 -0.728 -3.672 -19.359 119 HB2 ARG 15 2HB ARG 15 -1.406 -3.056 -16.572 120 HB3 ARG 15 3HB ARG 15 -2.710 -2.731 -17.706 121 HG2 ARG 15 2HG ARG 15 -3.053 -4.929 -16.986 122 HG3 ARG 15 3HG ARG 15 -2.326 -5.081 -18.587 123 HD2 ARG 15 2HD ARG 15 -0.108 -5.078 -17.065 124 HD3 ARG 15 3HD ARG 15 -1.251 -5.798 -15.932 125 HE ARG 15 HE ARG 15 -1.587 -7.140 -18.320 126 HH11 ARG 15 1HH1 ARG 15 0.985 -6.605 -16.036 127 HH12 ARG 15 2HH1 ARG 15 1.767 -8.116 -16.362 128 HH21 ARG 15 1HH2 ARG 15 -0.567 -9.133 -18.760 129 HH22 ARG 15 2HH2 ARG 15 0.883 -9.553 -17.913 130 H CYS 16 H CYS 16 -0.731 -0.556 -17.642 131 HA CYS 16 HA CYS 16 -2.530 0.817 -19.232 132 HB2 CYS 16 2HB CYS 16 -1.413 1.602 -17.085 133 HB3 CYS 16 3HB CYS 16 -0.036 2.063 -18.078 134 HG CYS 16 HG CYS 16 -2.316 3.496 -19.665 135 H SER 17 H SER 17 0.935 0.311 -19.719 136 HA SER 17 HA SER 17 1.320 1.999 -21.900 137 HB2 SER 17 2HB SER 17 2.679 -0.478 -20.914 138 HB3 SER 17 3HB SER 17 3.114 0.154 -22.501 139 HG SER 17 HG SER 17 4.455 1.144 -21.067 140 H ASN 18 H ASN 18 -0.307 -1.039 -21.685 141 HA ASN 18 HA ASN 18 -0.334 -1.373 -24.589 142 HB2 ASN 18 2HB ASN 18 -1.197 -3.129 -22.296 143 HB3 ASN 18 3HB ASN 18 -1.636 -3.495 -23.961 144 HD21 ASN 18 1HD2 ASN 18 -0.272 -5.380 -22.801 145 HD22 ASN 18 2HD2 ASN 18 1.383 -5.405 -23.298 146 H VAL 19 H VAL 19 -1.749 0.820 -23.207 147 HA VAL 19 HA VAL 19 -4.485 0.181 -24.101 148 HB VAL 19 HB VAL 19 -3.787 2.151 -21.923 149 HG11 VAL 19 1HG1 VAL 19 -6.374 1.491 -21.551 150 HG12 VAL 19 2HG1 VAL 19 -5.842 2.865 -22.522 151 HG13 VAL 19 3HG1 VAL 19 -6.261 1.341 -23.305 152 HG21 VAL 19 1HG2 VAL 19 -4.833 -0.667 -21.665 153 HG22 VAL 19 2HG2 VAL 19 -3.230 -0.106 -21.191 154 HG23 VAL 19 3HG2 VAL 19 -4.658 0.489 -20.345 155 H ALA 20 H ALA 20 -5.644 1.833 -25.149 156 HA ALA 20 HA ALA 20 -3.959 3.693 -26.599 157 HB1 ALA 20 1HB ALA 20 -5.933 2.225 -27.500 158 HB2 ALA 20 2HB ALA 20 -6.915 3.588 -26.960 159 HB3 ALA 20 3HB ALA 20 -5.640 3.837 -28.154 160 H VAL 21 H VAL 21 -4.847 5.946 -26.985 161 HA VAL 21 HA VAL 21 -5.326 7.172 -24.394 162 HB VAL 21 HB VAL 21 -4.929 9.306 -25.546 163 HG11 VAL 21 1HG1 VAL 21 -2.596 8.175 -26.626 164 HG12 VAL 21 2HG1 VAL 21 -2.813 8.880 -25.023 165 HG13 VAL 21 3HG1 VAL 21 -3.060 7.150 -25.267 166 HG21 VAL 21 1HG2 VAL 21 -4.237 9.325 -27.898 167 HG22 VAL 21 2HG2 VAL 21 -4.594 7.602 -28.014 168 HG23 VAL 21 3HG2 VAL 21 -5.895 8.753 -27.712 169 H GLY 22 H GLY 22 -6.999 6.575 -27.398 170 HA2 GLY 22 2HA GLY 22 -9.331 6.556 -27.652 171 HA3 GLY 22 3HA GLY 22 -9.478 7.483 -26.167 172 H VAL 23 H VAL 23 -11.088 8.597 -27.623 173 HA VAL 23 HA VAL 23 -11.717 10.504 -28.698 174 HB VAL 23 HB VAL 23 -8.858 11.440 -28.548 175 HG11 VAL 23 1HG1 VAL 23 -10.022 12.999 -29.781 176 HG12 VAL 23 2HG1 VAL 23 -11.527 12.731 -28.900 177 HG13 VAL 23 3HG1 VAL 23 -10.212 13.635 -28.147 178 HG21 VAL 23 1HG2 VAL 23 -10.089 12.544 -26.373 179 HG22 VAL 23 2HG2 VAL 23 -10.748 10.908 -26.379 180 HG23 VAL 23 3HG2 VAL 23 -9.003 11.156 -26.328 181 H GLY 24 H GLY 24 -11.331 8.407 -30.333 182 HA2 GLY 24 2HA GLY 24 -11.347 9.171 -32.847 183 HA3 GLY 24 3HA GLY 24 -9.620 9.279 -32.543 184 H GLY 25 H GLY 25 -11.196 7.538 -34.369 185 HA2 GLY 25 2HA GLY 25 -11.411 4.916 -33.520 186 HA3 GLY 25 3HA GLY 25 -11.003 5.391 -35.162 187 H LYS 26 H LYS 26 -8.569 6.322 -35.158 188 HA LYS 26 HA LYS 26 -6.955 4.144 -34.017 189 HB2 LYS 26 2HB LYS 26 -6.797 5.707 -36.549 190 HB3 LYS 26 3HB LYS 26 -5.294 5.133 -35.840 191 HG2 LYS 26 2HG LYS 26 -5.978 3.510 -37.414 192 HG3 LYS 26 3HG LYS 26 -6.299 2.833 -35.816 193 HD2 LYS 26 2HD LYS 26 -8.583 4.312 -36.737 194 HD3 LYS 26 3HD LYS 26 -8.099 3.129 -37.954 195 HE2 LYS 26 2HE LYS 26 -7.939 1.537 -35.868 196 HE3 LYS 26 3HE LYS 26 -9.049 2.708 -35.159 197 HZ1 LYS 26 1HZ LYS 26 -10.528 1.306 -36.123 198 HZ2 LYS 26 2HZ LYS 26 -9.479 0.839 -37.364 199 HZ3 LYS 26 3HZ LYS 26 -10.270 2.332 -37.444 200 H SER 27 H SER 27 -6.234 4.873 -32.090 201 HA SER 27 HA SER 27 -4.900 7.500 -32.044 202 HB2 SER 27 2HB SER 27 -5.642 6.165 -29.493 203 HB3 SER 27 3HB SER 27 -5.662 7.876 -29.916 204 HG SER 27 HG SER 27 -7.753 6.607 -29.678 205 H LYS 28 H LYS 28 -3.345 7.403 -29.909 206 HA LYS 28 HA LYS 28 -1.431 5.273 -30.556 207 HB2 LYS 28 2HB LYS 28 -1.191 8.083 -29.644 208 HB3 LYS 28 3HB LYS 28 -0.006 6.953 -29.001 209 HG2 LYS 28 2HG LYS 28 1.067 6.769 -30.959 210 HG3 LYS 28 3HG LYS 28 -0.429 6.765 -31.896 211 HD2 LYS 28 2HD LYS 28 0.141 9.333 -30.627 212 HD3 LYS 28 3HD LYS 28 1.385 8.827 -31.773 213 HE2 LYS 28 2HE LYS 28 -0.346 8.492 -33.481 214 HE3 LYS 28 3HE LYS 28 -1.574 9.024 -32.334 215 HZ1 LYS 28 1HZ LYS 28 -0.550 11.185 -32.248 216 HZ2 LYS 28 2HZ LYS 28 -0.880 10.791 -33.859 217 HZ3 LYS 28 3HZ LYS 28 0.703 10.685 -33.270 218 H LYS 29 H LYS 29 0.018 4.690 -28.604 219 HA LYS 29 HA LYS 29 -1.775 3.961 -26.399 220 HB2 LYS 29 2HB LYS 29 -0.264 2.156 -25.921 221 HB3 LYS 29 3HB LYS 29 -0.598 2.146 -27.648 222 HG2 LYS 29 2HG LYS 29 1.567 3.477 -27.895 223 HG3 LYS 29 3HG LYS 29 1.903 2.993 -26.231 224 HD2 LYS 29 2HD LYS 29 1.356 0.599 -27.122 225 HD3 LYS 29 3HD LYS 29 1.709 1.315 -28.696 226 HE2 LYS 29 2HE LYS 29 3.643 1.818 -26.506 227 HE3 LYS 29 3HE LYS 29 3.582 0.185 -27.168 228 HZ1 LYS 29 1HZ LYS 29 4.035 1.036 -29.342 229 HZ2 LYS 29 2HZ LYS 29 5.207 1.644 -28.284 230 HZ3 LYS 29 3HZ LYS 29 3.940 2.637 -28.802 231 H PHE 30 H PHE 30 -0.920 3.980 -24.207 232 HA PHE 30 HA PHE 30 0.325 6.457 -23.587 233 HB2 PHE 30 2HB PHE 30 -0.490 4.074 -21.937 234 HB3 PHE 30 3HB PHE 30 0.352 5.443 -21.221 235 HD1 PHE 30 HD1 PHE 30 -2.792 4.096 -22.093 236 HD2 PHE 30 HD2 PHE 30 -0.705 7.774 -21.616 237 HE1 PHE 30 HE1 PHE 30 -4.937 5.276 -21.843 238 HE2 PHE 30 HE2 PHE 30 -2.845 8.960 -21.364 239 HZ PHE 30 HZ PHE 30 -4.965 7.712 -21.477 240 H GLY 31 H GLY 31 2.259 6.655 -22.176 241 HA2 GLY 31 2HA GLY 31 4.251 4.540 -22.623 242 HA3 GLY 31 3HA GLY 31 4.614 6.175 -23.156 243 H GLU 32 H GLU 32 6.470 5.631 -21.626 244 HA GLU 32 HA GLU 32 5.988 5.614 -18.825 245 HB2 GLU 32 2HB GLU 32 8.507 6.359 -20.323 246 HB3 GLU 32 3HB GLU 32 8.401 5.980 -18.610 247 HG2 GLU 32 2HG GLU 32 7.743 3.708 -19.120 248 HG3 GLU 32 3HG GLU 32 7.744 4.074 -20.844 249 H GLY 33 H GLY 33 7.452 8.147 -20.879 250 HA2 GLY 33 2HA GLY 33 7.349 10.165 -18.924 251 HA3 GLY 33 3HA GLY 33 7.497 10.430 -20.656 252 H ASN 34 H ASN 34 4.986 9.120 -21.307 253 HA ASN 34 HA ASN 34 3.271 11.339 -21.168 254 HB2 ASN 34 2HB ASN 34 3.247 8.726 -22.357 255 HB3 ASN 34 3HB ASN 34 1.691 9.027 -21.589 256 HD21 ASN 34 1HD2 ASN 34 1.100 11.530 -21.969 257 HD22 ASN 34 2HD2 ASN 34 1.092 11.964 -23.641 258 H PHE 35 H PHE 35 3.008 8.187 -19.518 259 HA PHE 35 HA PHE 35 0.819 8.887 -17.904 260 HB2 PHE 35 2HB PHE 35 1.290 6.577 -18.144 261 HB3 PHE 35 3HB PHE 35 2.962 6.785 -17.630 262 HD1 PHE 35 HD1 PHE 35 -0.544 6.847 -16.460 263 HD2 PHE 35 HD2 PHE 35 3.563 6.633 -15.366 264 HE1 PHE 35 HE1 PHE 35 -1.191 6.291 -14.153 265 HE2 PHE 35 HE2 PHE 35 2.923 6.075 -13.057 266 HZ PHE 35 HZ PHE 35 0.544 5.902 -12.448 267 H ARG 36 H ARG 36 4.240 9.436 -17.557 268 HA ARG 36 HA ARG 36 4.351 9.966 -14.805 269 HB2 ARG 36 2HB ARG 36 6.093 10.202 -17.067 270 HB3 ARG 36 3HB ARG 36 6.183 11.681 -16.120 271 HG2 ARG 36 2HG ARG 36 6.717 10.387 -14.127 272 HG3 ARG 36 3HG ARG 36 6.600 8.893 -15.061 273 HD2 ARG 36 2HD ARG 36 8.439 9.652 -16.490 274 HD3 ARG 36 3HD ARG 36 8.556 11.138 -15.546 275 HE ARG 36 HE ARG 36 9.741 9.984 -13.974 276 HH11 ARG 36 1HH1 ARG 36 7.997 7.709 -15.951 277 HH12 ARG 36 2HH1 ARG 36 8.729 6.317 -15.225 278 HH21 ARG 36 1HH2 ARG 36 10.712 8.159 -13.010 279 HH22 ARG 36 2HH2 ARG 36 10.273 6.573 -13.552 280 H TRP 37 H TRP 37 3.914 12.185 -17.553 281 HA TRP 37 HA TRP 37 3.616 14.512 -15.973 282 HB2 TRP 37 2HB TRP 37 4.190 14.851 -18.239 283 HB3 TRP 37 3HB TRP 37 2.869 13.836 -18.811 284 HD1 TRP 37 HD1 TRP 37 3.695 17.391 -17.857 285 HE1 TRP 37 HE1 TRP 37 1.642 18.887 -18.276 286 HE3 TRP 37 HE3 TRP 37 0.211 13.759 -18.757 287 HZ2 TRP 37 HZ2 TRP 37 -1.091 18.570 -18.904 288 HZ3 TRP 37 HZ3 TRP 37 -2.100 14.440 -19.260 289 HH2 TRP 37 HH2 TRP 37 -2.735 16.796 -19.331 290 H ALA 38 H ALA 38 1.350 12.108 -17.158 291 HA ALA 38 HA ALA 38 -1.008 13.557 -16.481 292 HB1 ALA 38 1HB ALA 38 -1.614 11.977 -17.968 293 HB2 ALA 38 2HB ALA 38 -0.362 10.850 -17.442 294 HB3 ALA 38 3HB ALA 38 -1.857 11.000 -16.519 295 H ILE 39 H ILE 39 0.306 10.576 -15.022 296 HA ILE 39 HA ILE 39 -1.254 10.532 -12.753 297 HB ILE 39 HB ILE 39 0.348 8.743 -13.495 298 HG12 ILE 39 2HG1 ILE 39 1.112 8.341 -10.974 299 HG13 ILE 39 3HG1 ILE 39 -0.006 9.669 -10.684 300 HG21 ILE 39 1HG2 ILE 39 2.607 8.876 -13.179 301 HG22 ILE 39 2HG2 ILE 39 2.250 10.571 -13.509 302 HG23 ILE 39 3HG2 ILE 39 2.465 10.022 -11.847 303 HD11 ILE 39 1HD1 ILE 39 -1.273 7.811 -12.409 304 HD12 ILE 39 2HD1 ILE 39 -0.580 6.930 -11.048 305 HD13 ILE 39 3HD1 ILE 39 -1.700 8.260 -10.758 306 H ARG 40 H ARG 40 1.567 12.478 -13.434 307 HA ARG 40 HA ARG 40 2.072 13.318 -10.770 308 HB2 ARG 40 2HB ARG 40 3.803 13.521 -12.439 309 HB3 ARG 40 3HB ARG 40 2.786 14.557 -13.431 310 HG2 ARG 40 2HG ARG 40 3.072 15.674 -10.802 311 HG3 ARG 40 3HG ARG 40 4.654 15.333 -11.505 312 HD2 ARG 40 2HD ARG 40 4.137 16.638 -13.449 313 HD3 ARG 40 3HD ARG 40 2.466 16.841 -12.923 314 HE ARG 40 HE ARG 40 3.143 18.540 -11.545 315 HH11 ARG 40 1HH1 ARG 40 5.927 16.716 -12.566 316 HH12 ARG 40 2HH1 ARG 40 7.068 17.830 -11.888 317 HH21 ARG 40 1HH2 ARG 40 4.635 20.014 -10.648 318 HH22 ARG 40 2HH2 ARG 40 6.332 19.705 -10.797 319 H MET 41 H MET 41 0.656 15.135 -13.501 320 HA MET 41 HA MET 41 -0.200 17.348 -12.094 321 HB2 MET 41 2HB MET 41 -0.553 16.308 -14.693 322 HB3 MET 41 3HB MET 41 -2.163 16.673 -14.085 323 HG2 MET 41 2HG MET 41 -0.047 18.719 -13.727 324 HG3 MET 41 3HG MET 41 -0.695 18.466 -15.347 325 HE1 MET 41 1HE MET 41 -0.864 21.194 -14.341 326 HE2 MET 41 2HE MET 41 -2.297 21.721 -13.457 327 HE3 MET 41 3HE MET 41 -0.993 20.887 -12.609 328 H ALA 42 H ALA 42 -1.763 14.215 -12.455 329 HA ALA 42 HA ALA 42 -4.256 14.912 -11.332 330 HB1 ALA 42 1HB ALA 42 -4.724 12.848 -11.990 331 HB2 ALA 42 2HB ALA 42 -3.016 12.572 -12.338 332 HB3 ALA 42 3HB ALA 42 -3.662 12.196 -10.740 333 H ASN 43 H ASN 43 -1.292 13.594 -9.896 334 HA ASN 43 HA ASN 43 -2.287 13.249 -7.292 335 HB2 ASN 43 2HB ASN 43 0.539 13.811 -8.216 336 HB3 ASN 43 3HB ASN 43 0.098 13.256 -6.605 337 HD21 ASN 43 1HD2 ASN 43 1.819 11.969 -8.510 338 HD22 ASN 43 2HD2 ASN 43 1.117 10.428 -8.859 339 H VAL 44 H VAL 44 -0.337 15.913 -8.640 340 HA VAL 44 HA VAL 44 -0.418 17.541 -6.355 341 HB VAL 44 HB VAL 44 1.196 17.953 -8.115 342 HG11 VAL 44 1HG1 VAL 44 -1.122 18.834 -9.832 343 HG12 VAL 44 2HG1 VAL 44 0.586 18.825 -10.280 344 HG13 VAL 44 3HG1 VAL 44 -0.263 17.303 -10.005 345 HG21 VAL 44 1HG2 VAL 44 -0.108 20.480 -8.494 346 HG22 VAL 44 2HG2 VAL 44 -0.358 19.917 -6.841 347 HG23 VAL 44 3HG2 VAL 44 1.279 20.081 -7.478 348 H SER 45 H SER 45 -2.583 17.279 -9.124 349 HA SER 45 HA SER 45 -4.150 19.547 -8.670 350 HB2 SER 45 2HB SER 45 -4.454 18.446 -10.740 351 HB3 SER 45 3HB SER 45 -4.749 16.890 -9.964 352 HG SER 45 HG SER 45 -6.497 18.866 -10.575 353 H THR 46 H THR 46 -4.037 16.505 -7.027 354 HA THR 46 HA THR 46 -6.550 17.043 -5.624 355 HB THR 46 HB THR 46 -5.747 14.744 -4.508 356 HG1 THR 46 HG1 THR 46 -4.769 14.445 -7.146 357 HG21 THR 46 1HG2 THR 46 -7.845 14.796 -5.529 358 HG22 THR 46 2HG2 THR 46 -6.962 13.604 -6.482 359 HG23 THR 46 3HG2 THR 46 -7.175 15.242 -7.099 360 H GLY 47 H GLY 47 -3.160 17.336 -5.230 361 HA2 GLY 47 2HA GLY 47 -2.080 18.490 -3.509 362 HA3 GLY 47 3HA GLY 47 -3.551 18.393 -2.553 363 H ARG 48 H ARG 48 -1.999 15.638 -4.080 364 HA ARG 48 HA ARG 48 -1.366 14.606 -1.392 365 HB2 ARG 48 2HB ARG 48 -1.948 12.975 -3.867 366 HB3 ARG 48 3HB ARG 48 -1.760 12.379 -2.223 367 HG2 ARG 48 2HG ARG 48 -3.781 14.070 -1.818 368 HG3 ARG 48 3HG ARG 48 -4.071 13.688 -3.516 369 HD2 ARG 48 2HD ARG 48 -4.298 11.384 -3.063 370 HD3 ARG 48 3HD ARG 48 -3.621 11.559 -1.444 371 HE ARG 48 HE ARG 48 -5.925 13.120 -1.572 372 HH11 ARG 48 1HH1 ARG 48 -5.020 9.761 -1.728 373 HH12 ARG 48 2HH1 ARG 48 -6.520 9.192 -1.073 374 HH21 ARG 48 1HH2 ARG 48 -7.904 12.382 -0.709 375 HH22 ARG 48 2HH2 ARG 48 -8.160 10.684 -0.495 376 H GLU 49 H GLU 49 0.503 16.218 -2.528 377 HA GLU 49 HA GLU 49 2.720 16.323 -3.026 378 HB2 GLU 49 2HB GLU 49 2.354 13.674 -1.834 379 HB3 GLU 49 3HB GLU 49 3.744 13.769 -2.906 380 HG2 GLU 49 2HG GLU 49 4.903 15.081 -1.506 381 HG3 GLU 49 3HG GLU 49 3.480 15.998 -1.016 382 HA PRO 50 HA PRO 50 3.228 15.365 -7.275 383 HB2 PRO 50 2HB PRO 50 5.925 15.160 -7.510 384 HB3 PRO 50 3HB PRO 50 5.097 16.701 -7.255 385 HG2 PRO 50 2HG PRO 50 6.490 14.947 -5.267 386 HG3 PRO 50 3HG PRO 50 6.544 16.712 -5.434 387 HD2 PRO 50 2HD PRO 50 5.006 15.469 -3.584 388 HD3 PRO 50 3HD PRO 50 4.534 17.002 -4.345 389 H GLY 51 H GLY 51 5.391 13.343 -5.274 390 HA2 GLY 51 2HA GLY 51 5.255 11.181 -7.198 391 HA3 GLY 51 3HA GLY 51 6.159 11.184 -5.691 392 H ASP 52 H ASP 52 2.851 11.018 -6.968 393 HA ASP 52 HA ASP 52 2.153 9.317 -4.665 394 HB2 ASP 52 2HB ASP 52 0.929 11.686 -5.517 395 HB3 ASP 52 3HB ASP 52 -0.146 10.401 -6.059 396 H ILE 53 H ILE 53 2.606 7.336 -5.549 397 HA ILE 53 HA ILE 53 1.156 6.622 -8.011 398 HB ILE 53 HB ILE 53 3.605 5.321 -6.812 399 HG12 ILE 53 2HG1 ILE 53 3.960 7.534 -7.924 400 HG13 ILE 53 3HG1 ILE 53 4.802 6.202 -8.709 401 HG21 ILE 53 1HG2 ILE 53 3.247 4.424 -9.421 402 HG22 ILE 53 2HG2 ILE 53 2.991 3.506 -7.939 403 HG23 ILE 53 3HG2 ILE 53 1.643 4.354 -8.694 404 HD11 ILE 53 1HD1 ILE 53 3.242 8.060 -9.958 405 HD12 ILE 53 2HD1 ILE 53 3.689 6.486 -10.616 406 HD13 ILE 53 3HD1 ILE 53 2.144 6.690 -9.793 407 HA PRO 54 HA PRO 54 -0.998 4.361 -4.605 408 HB2 PRO 54 2HB PRO 54 -3.477 4.693 -5.659 409 HB3 PRO 54 3HB PRO 54 -2.707 5.897 -4.619 410 HG2 PRO 54 2HG PRO 54 -2.917 5.831 -7.604 411 HG3 PRO 54 3HG PRO 54 -3.134 7.199 -6.498 412 HD2 PRO 54 2HD PRO 54 -0.848 6.803 -7.893 413 HD3 PRO 54 3HD PRO 54 -0.866 7.546 -6.281 414 H GLU 55 H GLU 55 -1.325 2.220 -4.673 415 HA GLU 55 HA GLU 55 -1.919 0.982 -7.279 416 HB2 GLU 55 2HB GLU 55 -0.479 -0.877 -6.722 417 HB3 GLU 55 3HB GLU 55 0.436 0.619 -6.600 418 HG2 GLU 55 2HG GLU 55 -0.365 0.412 -4.064 419 HG3 GLU 55 3HG GLU 55 -0.362 -1.297 -4.500 420 H THR 56 H THR 56 -3.894 1.733 -5.455 421 HA THR 56 HA THR 56 -5.019 -0.886 -4.825 422 HB THR 56 HB THR 56 -5.646 -0.359 -2.597 423 HG1 THR 56 HG1 THR 56 -5.141 1.732 -1.705 424 HG21 THR 56 1HG2 THR 56 -3.523 -0.069 -1.473 425 HG22 THR 56 2HG2 THR 56 -2.811 0.629 -2.929 426 HG23 THR 56 3HG2 THR 56 -3.289 -1.068 -2.907 427 H LEU 57 H LEU 57 -7.168 -1.015 -5.200 428 HA LEU 57 HA LEU 57 -8.484 0.834 -6.769 429 HB2 LEU 57 2HB LEU 57 -9.043 -1.640 -6.106 430 HB3 LEU 57 3HB LEU 57 -10.051 -0.867 -4.884 431 HG LEU 57 HG LEU 57 -11.136 0.392 -6.824 432 HD11 LEU 57 1HD1 LEU 57 -11.027 -0.847 -8.987 433 HD12 LEU 57 2HD1 LEU 57 -9.658 -1.751 -8.339 434 HD13 LEU 57 3HD1 LEU 57 -9.539 -0.004 -8.554 435 HD21 LEU 57 1HD2 LEU 57 -12.346 -1.301 -5.665 436 HD22 LEU 57 2HD2 LEU 57 -11.439 -2.584 -6.468 437 HD23 LEU 57 3HD2 LEU 57 -12.563 -1.586 -7.392 438 H ASP 58 H ASP 58 -8.208 0.694 -3.298 439 HA ASP 58 HA ASP 58 -10.315 2.525 -2.721 440 HB2 ASP 58 2HB ASP 58 -8.941 0.815 -1.190 441 HB3 ASP 58 3HB ASP 58 -8.009 2.272 -0.858 442 H GLN 59 H GLN 59 -6.772 2.870 -2.846 443 HA GLN 59 HA GLN 59 -6.673 5.610 -2.295 444 HB2 GLN 59 2HB GLN 59 -4.831 3.685 -3.655 445 HB3 GLN 59 3HB GLN 59 -4.470 5.405 -3.715 446 HG2 GLN 59 2HG GLN 59 -3.861 5.488 -1.559 447 HG3 GLN 59 3HG GLN 59 -5.118 4.362 -1.049 448 HE21 GLN 59 1HE2 GLN 59 -2.529 3.979 -3.426 449 HE22 GLN 59 2HE2 GLN 59 -1.771 2.636 -2.645 450 H LEU 60 H LEU 60 -6.667 3.932 -5.437 451 HA LEU 60 HA LEU 60 -6.637 6.252 -7.024 452 HB2 LEU 60 2HB LEU 60 -7.896 3.621 -7.766 453 HB3 LEU 60 3HB LEU 60 -7.234 4.840 -8.853 454 HG LEU 60 HG LEU 60 -5.271 3.791 -6.962 455 HD11 LEU 60 1HD1 LEU 60 -5.219 1.590 -7.515 456 HD12 LEU 60 2HD1 LEU 60 -5.955 1.852 -9.095 457 HD13 LEU 60 3HD1 LEU 60 -6.958 1.854 -7.645 458 HD21 LEU 60 1HD2 LEU 60 -3.916 4.398 -8.618 459 HD22 LEU 60 2HD2 LEU 60 -5.338 5.021 -9.458 460 HD23 LEU 60 3HD2 LEU 60 -4.772 3.381 -9.777 461 H ARG 61 H ARG 61 -9.247 4.472 -5.508 462 HA ARG 61 HA ARG 61 -11.409 5.577 -6.908 463 HB2 ARG 61 2HB ARG 61 -11.789 3.671 -5.522 464 HB3 ARG 61 3HB ARG 61 -11.174 4.502 -4.099 465 HG2 ARG 61 2HG ARG 61 -13.092 6.009 -4.141 466 HG3 ARG 61 3HG ARG 61 -13.706 5.189 -5.578 467 HD2 ARG 61 2HD ARG 61 -14.826 3.860 -4.182 468 HD3 ARG 61 3HD ARG 61 -13.269 3.130 -3.792 469 HE ARG 61 HE ARG 61 -13.709 5.438 -2.212 470 HH11 ARG 61 1HH1 ARG 61 -14.700 2.119 -2.563 471 HH12 ARG 61 2HH1 ARG 61 -15.098 1.924 -0.888 472 HH21 ARG 61 1HH2 ARG 61 -14.229 5.194 -0.006 473 HH22 ARG 61 2HH2 ARG 61 -14.831 3.674 0.566 474 H LEU 62 H LEU 62 -9.986 6.569 -3.793 475 HA LEU 62 HA LEU 62 -11.605 8.833 -3.426 476 HB2 LEU 62 2HB LEU 62 -9.547 7.551 -2.046 477 HB3 LEU 62 3HB LEU 62 -8.952 9.184 -2.339 478 HG LEU 62 HG LEU 62 -10.000 9.061 -0.168 479 HD11 LEU 62 1HD1 LEU 62 -11.618 10.860 -0.395 480 HD12 LEU 62 2HD1 LEU 62 -11.740 10.551 -2.128 481 HD13 LEU 62 3HD1 LEU 62 -10.225 11.138 -1.440 482 HD21 LEU 62 1HD2 LEU 62 -12.741 8.729 -0.930 483 HD22 LEU 62 2HD2 LEU 62 -11.791 7.816 0.241 484 HD23 LEU 62 3HD2 LEU 62 -11.802 7.331 -1.455 485 H VAL 63 H VAL 63 -8.587 8.362 -5.157 486 HA VAL 63 HA VAL 63 -7.995 11.102 -5.578 487 HB VAL 63 HB VAL 63 -7.172 8.703 -7.223 488 HG11 VAL 63 1HG1 VAL 63 -6.930 10.801 -8.452 489 HG12 VAL 63 2HG1 VAL 63 -6.003 11.483 -7.115 490 HG13 VAL 63 3HG1 VAL 63 -5.358 10.122 -8.033 491 HG21 VAL 63 1HG2 VAL 63 -5.109 9.850 -5.587 492 HG22 VAL 63 2HG2 VAL 63 -6.496 9.405 -4.593 493 HG23 VAL 63 3HG2 VAL 63 -5.721 8.196 -5.617 494 H ILE 64 H ILE 64 -9.261 8.668 -7.864 495 HA ILE 64 HA ILE 64 -9.849 10.353 -9.966 496 HB ILE 64 HB ILE 64 -11.391 7.906 -9.094 497 HG12 ILE 64 2HG1 ILE 64 -9.306 8.112 -11.262 498 HG13 ILE 64 3HG1 ILE 64 -8.889 7.715 -9.599 499 HG21 ILE 64 1HG2 ILE 64 -11.760 9.764 -11.312 500 HG22 ILE 64 2HG2 ILE 64 -11.618 8.081 -11.817 501 HG23 ILE 64 3HG2 ILE 64 -12.856 8.551 -10.654 502 HD11 ILE 64 1HD1 ILE 64 -10.731 6.149 -11.389 503 HD12 ILE 64 2HD1 ILE 64 -9.082 5.712 -10.936 504 HD13 ILE 64 3HD1 ILE 64 -10.352 5.757 -9.713 505 H CYS 65 H CYS 65 -11.646 9.808 -7.012 506 HA CYS 65 HA CYS 65 -14.073 11.013 -7.811 507 HB2 CYS 65 2HB CYS 65 -12.817 10.235 -5.234 508 HB3 CYS 65 3HB CYS 65 -14.109 11.428 -5.158 509 HG CYS 65 HG CYS 65 -14.803 8.705 -7.000 510 H ASP 66 H ASP 66 -11.471 12.314 -5.745 511 HA ASP 66 HA ASP 66 -12.458 14.940 -5.665 512 HB2 ASP 66 2HB ASP 66 -9.740 13.742 -5.195 513 HB3 ASP 66 3HB ASP 66 -9.986 15.485 -5.118 514 H LEU 67 H LEU 67 -10.329 13.310 -7.935 515 HA LEU 67 HA LEU 67 -9.467 15.614 -9.329 516 HB2 LEU 67 2HB LEU 67 -9.183 12.766 -9.547 517 HB3 LEU 67 3HB LEU 67 -9.528 13.457 -11.130 518 HG LEU 67 HG LEU 67 -7.559 15.113 -10.162 519 HD11 LEU 67 1HD1 LEU 67 -6.172 12.630 -9.708 520 HD12 LEU 67 2HD1 LEU 67 -7.466 12.855 -8.532 521 HD13 LEU 67 3HD1 LEU 67 -6.220 14.089 -8.719 522 HD21 LEU 67 1HD2 LEU 67 -7.017 12.628 -11.765 523 HD22 LEU 67 2HD2 LEU 67 -6.223 14.199 -11.873 524 HD23 LEU 67 3HD2 LEU 67 -7.889 14.012 -12.425 525 H GLN 68 H GLN 68 -12.117 13.324 -9.899 526 HA GLN 68 HA GLN 68 -13.042 14.362 -12.312 527 HB2 GLN 68 2HB GLN 68 -13.770 12.224 -11.156 528 HB3 GLN 68 3HB GLN 68 -14.812 13.222 -10.151 529 HG2 GLN 68 2HG GLN 68 -14.968 13.291 -13.143 530 HG3 GLN 68 3HG GLN 68 -15.846 12.098 -12.186 531 HE21 GLN 68 1HE2 GLN 68 -16.837 14.252 -13.899 532 HE22 GLN 68 2HE2 GLN 68 -17.851 15.227 -12.895 533 H GLU 69 H GLU 69 -13.947 15.221 -8.988 534 HA GLU 69 HA GLU 69 -15.926 17.094 -9.602 535 HB2 GLU 69 2HB GLU 69 -14.322 16.377 -7.265 536 HB3 GLU 69 3HB GLU 69 -14.760 18.079 -7.304 537 HG2 GLU 69 2HG GLU 69 -17.144 17.274 -7.729 538 HG3 GLU 69 3HG GLU 69 -16.560 15.687 -7.230 539 H ARG 70 H ARG 70 -12.462 17.607 -8.965 540 HA ARG 70 HA ARG 70 -12.491 20.388 -9.418 541 HB2 ARG 70 2HB ARG 70 -10.183 18.466 -9.760 542 HB3 ARG 70 3HB ARG 70 -10.060 20.209 -9.567 543 HG2 ARG 70 2HG ARG 70 -10.658 20.130 -7.323 544 HG3 ARG 70 3HG ARG 70 -11.380 18.527 -7.475 545 HD2 ARG 70 2HD ARG 70 -9.407 17.474 -7.209 546 HD3 ARG 70 3HD ARG 70 -8.523 18.679 -8.144 547 HE ARG 70 HE ARG 70 -7.949 19.688 -6.185 548 HH11 ARG 70 1HH1 ARG 70 -10.767 17.720 -5.632 549 HH12 ARG 70 2HH1 ARG 70 -10.787 18.000 -3.922 550 HH21 ARG 70 1HH2 ARG 70 -7.965 20.065 -3.935 551 HH22 ARG 70 2HH2 ARG 70 -9.194 19.335 -2.959 552 H ARG 71 H ARG 71 -12.112 17.637 -11.561 553 HA ARG 71 HA ARG 71 -11.114 18.923 -13.823 554 HB2 ARG 71 2HB ARG 71 -12.400 16.388 -13.212 555 HB3 ARG 71 3HB ARG 71 -12.858 16.987 -14.801 556 HG2 ARG 71 2HG ARG 71 -10.951 15.558 -15.024 557 HG3 ARG 71 3HG ARG 71 -10.460 17.219 -15.359 558 HD2 ARG 71 2HD ARG 71 -9.758 17.326 -12.909 559 HD3 ARG 71 3HD ARG 71 -9.934 15.572 -12.902 560 HE ARG 71 HE ARG 71 -8.319 16.075 -15.038 561 HH11 ARG 71 1HH1 ARG 71 -8.219 16.868 -11.650 562 HH12 ARG 71 2HH1 ARG 71 -6.488 16.884 -11.572 563 HH21 ARG 71 1HH2 ARG 71 -6.041 16.093 -14.948 564 HH22 ARG 71 2HH2 ARG 71 -5.251 16.444 -13.448 565 H GLU 72 H GLU 72 -14.495 18.338 -12.882 566 HA GLU 72 HA GLU 72 -15.652 19.621 -15.107 567 HB2 GLU 72 2HB GLU 72 -16.687 18.074 -13.241 568 HB3 GLU 72 3HB GLU 72 -17.024 19.607 -12.450 569 HG2 GLU 72 2HG GLU 72 -18.317 20.348 -14.349 570 HG3 GLU 72 3HG GLU 72 -17.910 18.876 -15.231 571 H LYS 73 H LYS 73 -15.108 20.793 -11.788 572 HA LYS 73 HA LYS 73 -16.068 23.390 -12.173 573 HB2 LYS 73 2HB LYS 73 -14.155 22.145 -10.233 574 HB3 LYS 73 3HB LYS 73 -14.366 23.892 -10.245 575 HG2 LYS 73 2HG LYS 73 -16.862 23.421 -10.024 576 HG3 LYS 73 3HG LYS 73 -16.391 21.768 -9.625 577 HD2 LYS 73 2HD LYS 73 -16.208 22.477 -7.515 578 HD3 LYS 73 3HD LYS 73 -14.744 23.315 -8.034 579 HE2 LYS 73 2HE LYS 73 -15.784 25.355 -8.131 580 HE3 LYS 73 3HE LYS 73 -17.368 24.653 -8.452 581 HZ1 LYS 73 1HZ LYS 73 -17.194 23.780 -6.070 582 HZ2 LYS 73 2HZ LYS 73 -17.527 25.424 -6.286 583 HZ3 LYS 73 3HZ LYS 73 -15.964 24.926 -5.871 584 H PHE 74 H PHE 74 -13.089 21.910 -13.119 585 HA PHE 74 HA PHE 74 -11.681 24.391 -13.529 586 HB2 PHE 74 2HB PHE 74 -11.090 21.505 -13.867 587 HB3 PHE 74 3HB PHE 74 -10.207 22.613 -14.911 588 HD1 PHE 74 HD1 PHE 74 -8.046 22.665 -14.095 589 HD2 PHE 74 HD2 PHE 74 -11.307 23.012 -11.381 590 HE1 PHE 74 HE1 PHE 74 -6.469 23.132 -12.265 591 HE2 PHE 74 HE2 PHE 74 -9.735 23.482 -9.547 592 HZ PHE 74 HZ PHE 74 -7.313 23.543 -9.988 593 H GLY 75 H GLY 75 -13.639 22.203 -15.419 594 HA2 GLY 75 2HA GLY 75 -14.815 23.076 -17.340 595 HA3 GLY 75 3HA GLY 75 -13.412 24.078 -17.683 596 H SER 76 H SER 76 -13.800 23.095 -19.860 597 HA SER 76 HA SER 76 -12.850 20.343 -20.106 598 HB2 SER 76 2HB SER 76 -14.495 22.146 -21.733 599 HB3 SER 76 3HB SER 76 -13.316 21.229 -22.670 600 HG SER 76 HG SER 76 -15.399 20.182 -22.325 601 H SER 77 H SER 77 -11.037 19.759 -21.296 602 HA SER 77 HA SER 77 -9.410 21.476 -22.784 603 HB2 SER 77 2HB SER 77 -8.496 22.716 -21.126 604 HB3 SER 77 3HB SER 77 -9.003 21.582 -19.873 605 HG SER 77 HG SER 77 -6.588 21.909 -20.808 606 H LYS 78 H LYS 78 -8.238 20.190 -24.038 607 HA LYS 78 HA LYS 78 -8.199 17.436 -23.878 608 HB2 LYS 78 2HB LYS 78 -6.519 17.464 -25.589 609 HB3 LYS 78 3HB LYS 78 -7.612 18.810 -25.884 610 HG2 LYS 78 2HG LYS 78 -5.793 20.095 -24.435 611 HG3 LYS 78 3HG LYS 78 -4.764 18.816 -25.085 612 HD2 LYS 78 2HD LYS 78 -4.958 19.564 -27.234 613 HD3 LYS 78 3HD LYS 78 -6.572 20.230 -26.971 614 HE2 LYS 78 2HE LYS 78 -5.711 22.151 -25.904 615 HE3 LYS 78 3HE LYS 78 -4.113 21.428 -25.724 616 HZ1 LYS 78 1HZ LYS 78 -3.789 22.796 -27.510 617 HZ2 LYS 78 2HZ LYS 78 -5.361 22.606 -28.105 618 HZ3 LYS 78 3HZ LYS 78 -4.224 21.370 -28.311 619 H GLU 79 H GLU 79 -6.106 19.755 -22.335 620 HA GLU 79 HA GLU 79 -4.034 17.936 -21.630 621 HB2 GLU 79 2HB GLU 79 -4.815 20.576 -20.379 622 HB3 GLU 79 3HB GLU 79 -3.322 19.705 -20.058 623 HG2 GLU 79 2HG GLU 79 -4.139 20.719 -22.769 624 HG3 GLU 79 3HG GLU 79 -3.086 21.589 -21.655 625 H ILE 80 H ILE 80 -6.398 19.559 -19.505 626 HA ILE 80 HA ILE 80 -5.998 17.897 -17.298 627 HB ILE 80 HB ILE 80 -7.189 20.094 -17.260 628 HG12 ILE 80 2HG1 ILE 80 -8.663 17.751 -16.036 629 HG13 ILE 80 3HG1 ILE 80 -7.265 18.566 -15.342 630 HG21 ILE 80 1HG2 ILE 80 -8.628 19.622 -19.232 631 HG22 ILE 80 2HG2 ILE 80 -9.560 18.509 -18.233 632 HG23 ILE 80 3HG2 ILE 80 -9.517 20.226 -17.834 633 HD11 ILE 80 1HD1 ILE 80 -8.943 19.563 -14.175 634 HD12 ILE 80 2HD1 ILE 80 -8.824 20.673 -15.540 635 HD13 ILE 80 3HD1 ILE 80 -10.092 19.448 -15.508 636 H ASP 81 H ASP 81 -7.833 17.406 -20.189 637 HA ASP 81 HA ASP 81 -9.498 15.313 -19.149 638 HB2 ASP 81 2HB ASP 81 -10.075 16.762 -21.129 639 HB3 ASP 81 3HB ASP 81 -8.854 15.884 -22.046 640 H MET 82 H MET 82 -6.398 15.512 -20.770 641 HA MET 82 HA MET 82 -6.194 12.708 -21.302 642 HB2 MET 82 2HB MET 82 -4.972 14.392 -22.625 643 HB3 MET 82 3HB MET 82 -4.033 14.820 -21.202 644 HG2 MET 82 2HG MET 82 -2.607 13.162 -21.543 645 HG3 MET 82 3HG MET 82 -3.910 11.987 -21.712 646 HE1 MET 82 1HE MET 82 -1.229 13.932 -23.080 647 HE2 MET 82 2HE MET 82 -1.220 13.678 -24.825 648 HE3 MET 82 3HE MET 82 -2.197 14.970 -24.128 649 H ALA 83 H ALA 83 -5.338 14.820 -18.660 650 HA ALA 83 HA ALA 83 -3.635 12.931 -17.334 651 HB1 ALA 83 1HB ALA 83 -3.190 15.189 -16.855 652 HB2 ALA 83 2HB ALA 83 -4.882 15.532 -16.491 653 HB3 ALA 83 3HB ALA 83 -3.926 14.541 -15.390 654 H ILE 84 H ILE 84 -7.000 13.980 -16.979 655 HA ILE 84 HA ILE 84 -7.575 12.436 -14.684 656 HB ILE 84 HB ILE 84 -9.016 14.278 -15.319 657 HG12 ILE 84 2HG1 ILE 84 -11.214 13.146 -15.139 658 HG13 ILE 84 3HG1 ILE 84 -10.431 11.609 -15.494 659 HG21 ILE 84 1HG2 ILE 84 -9.883 12.637 -17.692 660 HG22 ILE 84 2HG2 ILE 84 -10.391 14.274 -17.275 661 HG23 ILE 84 3HG2 ILE 84 -8.729 13.967 -17.779 662 HD11 ILE 84 1HD1 ILE 84 -9.224 11.665 -13.452 663 HD12 ILE 84 2HD1 ILE 84 -9.718 13.329 -13.137 664 HD13 ILE 84 3HD1 ILE 84 -10.909 12.030 -13.083 665 H VAL 85 H VAL 85 -7.931 11.795 -18.147 666 HA VAL 85 HA VAL 85 -9.218 9.285 -17.854 667 HB VAL 85 HB VAL 85 -8.609 8.907 -20.215 668 HG11 VAL 85 1HG1 VAL 85 -10.532 10.043 -20.384 669 HG12 VAL 85 2HG1 VAL 85 -10.032 11.250 -19.198 670 HG13 VAL 85 3HG1 VAL 85 -9.521 11.399 -20.880 671 HG21 VAL 85 1HG2 VAL 85 -7.491 10.901 -21.371 672 HG22 VAL 85 2HG2 VAL 85 -6.931 11.354 -19.762 673 HG23 VAL 85 3HG2 VAL 85 -6.461 9.802 -20.455 674 H THR 86 H THR 86 -5.845 10.270 -18.118 675 HA THR 86 HA THR 86 -4.714 7.722 -18.473 676 HB THR 86 HB THR 86 -3.576 10.236 -17.249 677 HG1 THR 86 HG1 THR 86 -2.751 10.545 -19.252 678 HG21 THR 86 1HG2 THR 86 -1.367 8.934 -17.867 679 HG22 THR 86 2HG2 THR 86 -2.386 7.522 -17.583 680 HG23 THR 86 3HG2 THR 86 -2.145 8.708 -16.301 681 H LEU 87 H LEU 87 -5.422 9.578 -15.536 682 HA LEU 87 HA LEU 87 -4.298 7.735 -13.718 683 HB2 LEU 87 2HB LEU 87 -5.187 10.217 -13.459 684 HB3 LEU 87 3HB LEU 87 -6.643 9.381 -12.926 685 HG LEU 87 HG LEU 87 -3.907 9.251 -11.668 686 HD11 LEU 87 1HD1 LEU 87 -5.693 11.190 -11.345 687 HD12 LEU 87 2HD1 LEU 87 -4.704 10.588 -10.016 688 HD13 LEU 87 3HD1 LEU 87 -6.364 10.024 -10.205 689 HD21 LEU 87 1HD2 LEU 87 -6.367 7.597 -11.252 690 HD22 LEU 87 2HD2 LEU 87 -5.253 7.906 -9.920 691 HD23 LEU 87 3HD2 LEU 87 -4.684 7.085 -11.374 692 H LYS 88 H LYS 88 -7.548 8.090 -15.054 693 HA LYS 88 HA LYS 88 -8.780 6.115 -13.448 694 HB2 LYS 88 2HB LYS 88 -9.463 7.574 -15.945 695 HB3 LYS 88 3HB LYS 88 -10.339 6.083 -15.626 696 HG2 LYS 88 2HG LYS 88 -11.671 7.144 -14.219 697 HG3 LYS 88 3HG LYS 88 -10.286 7.626 -13.236 698 HD2 LYS 88 2HD LYS 88 -10.142 9.692 -14.209 699 HD3 LYS 88 3HD LYS 88 -10.819 9.137 -15.742 700 HE2 LYS 88 2HE LYS 88 -12.979 8.794 -14.271 701 HE3 LYS 88 3HE LYS 88 -12.201 10.001 -13.247 702 HZ1 LYS 88 1HZ LYS 88 -12.152 10.726 -16.012 703 HZ2 LYS 88 2HZ LYS 88 -12.702 11.607 -14.677 704 HZ3 LYS 88 3HZ LYS 88 -13.731 10.505 -15.447 705 H VAL 89 H VAL 89 -7.724 5.968 -16.855 706 HA VAL 89 HA VAL 89 -8.181 3.257 -17.263 707 HB VAL 89 HB VAL 89 -7.607 4.924 -19.040 708 HG11 VAL 89 1HG1 VAL 89 -5.231 5.314 -19.530 709 HG12 VAL 89 2HG1 VAL 89 -5.702 5.981 -17.966 710 HG13 VAL 89 3HG1 VAL 89 -4.796 4.471 -18.045 711 HG21 VAL 89 1HG2 VAL 89 -7.581 2.427 -19.345 712 HG22 VAL 89 2HG2 VAL 89 -6.585 3.334 -20.483 713 HG23 VAL 89 3HG2 VAL 89 -5.832 2.492 -19.129 714 H PHE 90 H PHE 90 -5.584 4.868 -15.606 715 HA PHE 90 HA PHE 90 -3.742 2.701 -15.627 716 HB2 PHE 90 2HB PHE 90 -3.156 5.106 -15.185 717 HB3 PHE 90 3HB PHE 90 -3.907 4.938 -13.602 718 HD1 PHE 90 HD1 PHE 90 -1.448 3.048 -15.684 719 HD2 PHE 90 HD2 PHE 90 -2.463 4.619 -11.861 720 HE1 PHE 90 HE1 PHE 90 0.671 2.192 -14.774 721 HE2 PHE 90 HE2 PHE 90 -0.345 3.767 -10.944 722 HZ PHE 90 HZ PHE 90 1.226 2.552 -12.401 723 H ALA 91 H ALA 91 -5.884 3.966 -13.073 724 HA ALA 91 HA ALA 91 -5.392 2.053 -11.137 725 HB1 ALA 91 1HB ALA 91 -6.729 4.141 -10.851 726 HB2 ALA 91 2HB ALA 91 -8.075 3.325 -11.647 727 HB3 ALA 91 3HB ALA 91 -7.450 2.708 -10.117 728 H VAL 92 H VAL 92 -7.548 1.912 -13.916 729 HA VAL 92 HA VAL 92 -8.712 -0.605 -13.143 730 HB VAL 92 HB VAL 92 -8.810 0.777 -15.828 731 HG11 VAL 92 1HG1 VAL 92 -10.667 -1.295 -14.668 732 HG12 VAL 92 2HG1 VAL 92 -10.709 -0.612 -16.295 733 HG13 VAL 92 3HG1 VAL 92 -9.368 -1.650 -15.808 734 HG21 VAL 92 1HG2 VAL 92 -11.262 0.975 -14.426 735 HG22 VAL 92 2HG2 VAL 92 -9.982 1.510 -13.337 736 HG23 VAL 92 3HG2 VAL 92 -10.173 2.274 -14.914 737 H ALA 93 H ALA 93 -6.329 0.475 -15.538 738 HA ALA 93 HA ALA 93 -5.860 -1.961 -16.800 739 HB1 ALA 93 1HB ALA 93 -3.552 -0.976 -17.251 740 HB2 ALA 93 2HB ALA 93 -4.947 -0.049 -17.809 741 HB3 ALA 93 3HB ALA 93 -4.101 0.429 -16.336 742 H GLY 94 H GLY 94 -4.933 -0.866 -13.654 743 HA2 GLY 94 2HA GLY 94 -2.978 -3.032 -13.363 744 HA3 GLY 94 3HA GLY 94 -3.225 -1.707 -12.235 745 H LEU 95 H LEU 95 -5.471 -1.707 -11.191 746 HA LEU 95 HA LEU 95 -5.761 -4.043 -9.686 747 HB2 LEU 95 2HB LEU 95 -7.515 -1.656 -10.134 748 HB3 LEU 95 3HB LEU 95 -8.056 -3.001 -9.132 749 HG LEU 95 HG LEU 95 -7.189 -1.250 -7.728 750 HD11 LEU 95 1HD1 LEU 95 -6.310 -2.759 -6.361 751 HD12 LEU 95 2HD1 LEU 95 -4.876 -2.922 -7.373 752 HD13 LEU 95 3HD1 LEU 95 -6.306 -3.898 -7.708 753 HD21 LEU 95 1HD2 LEU 95 -5.734 -0.208 -9.440 754 HD22 LEU 95 2HD2 LEU 95 -4.584 -1.527 -9.221 755 HD23 LEU 95 3HD2 LEU 95 -4.931 -0.430 -7.885 756 H LEU 96 H LEU 96 -7.775 -2.802 -12.346 757 HA LEU 96 HA LEU 96 -9.381 -5.192 -12.405 758 HB2 LEU 96 2HB LEU 96 -9.494 -2.547 -13.512 759 HB3 LEU 96 3HB LEU 96 -9.746 -3.740 -14.785 760 HG LEU 96 HG LEU 96 -11.392 -4.577 -12.701 761 HD11 LEU 96 1HD1 LEU 96 -11.565 -2.717 -11.424 762 HD12 LEU 96 2HD1 LEU 96 -12.741 -2.273 -12.660 763 HD13 LEU 96 3HD1 LEU 96 -11.098 -1.635 -12.735 764 HD21 LEU 96 1HD2 LEU 96 -13.196 -3.685 -14.246 765 HD22 LEU 96 2HD2 LEU 96 -12.042 -4.817 -14.953 766 HD23 LEU 96 3HD2 LEU 96 -11.887 -3.088 -15.266 767 H ASN 97 H ASN 97 -6.322 -4.571 -13.395 768 HA ASN 97 HA ASN 97 -4.864 -5.537 -14.850 769 HB2 ASN 97 2HB ASN 97 -6.971 -7.705 -14.757 770 HB3 ASN 97 3HB ASN 97 -5.395 -7.901 -15.516 771 HD21 ASN 97 1HD2 ASN 97 -4.817 -9.547 -14.112 772 HD22 ASN 97 2HD2 ASN 97 -4.408 -9.247 -12.459 773 H MET 98 H MET 98 -6.603 -3.659 -15.983 774 HA MET 98 HA MET 98 -7.167 -2.836 -18.029 775 HB2 MET 98 2HB MET 98 -4.995 -4.124 -18.617 776 HB3 MET 98 3HB MET 98 -6.076 -5.316 -19.328 777 HG2 MET 98 2HG MET 98 -6.448 -2.480 -20.103 778 HG3 MET 98 3HG MET 98 -5.037 -3.329 -20.729 779 HE1 MET 98 1HE MET 98 -4.914 -4.308 -22.623 780 HE2 MET 98 2HE MET 98 -5.591 -5.918 -22.383 781 HE3 MET 98 3HE MET 98 -6.173 -4.905 -23.704 782 H THR 99 H THR 99 -8.985 -2.855 -19.276 783 HA THR 99 HA THR 99 -10.392 -5.257 -19.937 784 HB THR 99 HB THR 99 -12.281 -3.682 -18.406 785 HG1 THR 99 HG1 THR 99 -10.498 -3.276 -17.047 786 HG21 THR 99 1HG2 THR 99 -11.456 -6.499 -17.807 787 HG22 THR 99 2HG2 THR 99 -12.332 -6.124 -19.290 788 HG23 THR 99 3HG2 THR 99 -13.056 -5.763 -17.723 789 H VAL 100 H VAL 100 -9.356 -2.740 -21.129 790 HA VAL 100 HA VAL 100 -11.713 -2.128 -22.712 791 HB VAL 100 HB VAL 100 -11.405 0.309 -22.535 792 HG11 VAL 100 1HG1 VAL 100 -12.953 -1.098 -21.034 793 HG12 VAL 100 2HG1 VAL 100 -11.793 -0.737 -19.753 794 HG13 VAL 100 3HG1 VAL 100 -12.636 0.576 -20.577 795 HG21 VAL 100 1HG2 VAL 100 -9.870 0.190 -20.046 796 HG22 VAL 100 2HG2 VAL 100 -8.957 -0.282 -21.479 797 HG23 VAL 100 3HG2 VAL 100 -9.735 1.299 -21.411 798 H SER 101 H SER 101 -10.908 -0.219 -24.339 799 HA SER 101 HA SER 101 -8.362 -1.207 -25.451 800 HB2 SER 101 2HB SER 101 -10.937 -1.084 -26.627 801 HB3 SER 101 3HB SER 101 -9.950 0.138 -27.429 802 HG SER 101 HG SER 101 -9.750 -1.902 -28.433 803 H THR 102 H THR 102 -10.234 1.562 -24.529 804 HA THR 102 HA THR 102 -7.926 3.280 -25.147 805 HB THR 102 HB THR 102 -9.304 5.073 -25.886 806 HG1 THR 102 HG1 THR 102 -11.461 5.132 -25.594 807 HG21 THR 102 1HG2 THR 102 -8.909 3.047 -27.441 808 HG22 THR 102 2HG2 THR 102 -10.111 4.247 -27.915 809 HG23 THR 102 3HG2 THR 102 -10.625 2.720 -27.198 810 H ALA 103 H ALA 103 -7.645 5.091 -23.758 811 HA ALA 103 HA ALA 103 -8.017 4.609 -21.054 812 HB1 ALA 103 1HB ALA 103 -6.859 6.649 -22.653 813 HB2 ALA 103 2HB ALA 103 -7.853 7.417 -21.414 814 HB3 ALA 103 3HB ALA 103 -6.577 6.291 -20.949 815 H ALA 104 H ALA 104 -10.030 6.414 -23.311 816 HA ALA 104 HA ALA 104 -11.760 7.589 -21.423 817 HB1 ALA 104 1HB ALA 104 -13.179 8.112 -23.244 818 HB2 ALA 104 2HB ALA 104 -11.527 8.203 -23.857 819 HB3 ALA 104 3HB ALA 104 -12.527 6.796 -24.222 820 H ALA 105 H ALA 105 -12.053 4.588 -23.312 821 HA ALA 105 HA ALA 105 -14.553 3.775 -22.409 822 HB1 ALA 105 1HB ALA 105 -13.191 1.410 -22.729 823 HB2 ALA 105 2HB ALA 105 -14.011 2.311 -24.004 824 HB3 ALA 105 3HB ALA 105 -12.282 2.532 -23.741 825 H ALA 106 H ALA 106 -11.362 3.291 -20.970 826 HA ALA 106 HA ALA 106 -12.182 1.559 -18.896 827 HB1 ALA 106 1HB ALA 106 -9.777 2.504 -19.808 828 HB2 ALA 106 2HB ALA 106 -9.928 3.287 -18.235 829 HB3 ALA 106 3HB ALA 106 -10.014 1.530 -18.357 830 H GLU 107 H GLU 107 -11.895 5.078 -19.099 831 HA GLU 107 HA GLU 107 -12.391 5.647 -16.394 832 HB2 GLU 107 2HB GLU 107 -11.504 7.368 -17.793 833 HB3 GLU 107 3HB GLU 107 -12.864 7.255 -18.902 834 HG2 GLU 107 2HG GLU 107 -13.363 7.987 -16.059 835 HG3 GLU 107 3HG GLU 107 -12.713 9.195 -17.165 836 H ASN 108 H ASN 108 -14.631 5.674 -19.167 837 HA ASN 108 HA ASN 108 -16.957 6.234 -17.731 838 HB2 ASN 108 2HB ASN 108 -16.273 5.457 -20.409 839 HB3 ASN 108 3HB ASN 108 -17.671 4.529 -19.874 840 HD21 ASN 108 1HD2 ASN 108 -17.327 6.746 -21.837 841 HD22 ASN 108 2HD2 ASN 108 -18.498 7.930 -21.373 842 H MET 109 H MET 109 -15.319 3.186 -18.358 843 HA MET 109 HA MET 109 -17.403 1.523 -17.355 844 HB2 MET 109 2HB MET 109 -15.287 0.982 -18.852 845 HB3 MET 109 3HB MET 109 -14.550 0.647 -17.292 846 HG2 MET 109 2HG MET 109 -17.134 -0.602 -18.169 847 HG3 MET 109 3HG MET 109 -15.559 -1.314 -18.512 848 HE1 MET 109 1HE MET 109 -13.845 -2.023 -16.674 849 HE2 MET 109 2HE MET 109 -13.962 -0.514 -15.769 850 HE3 MET 109 3HE MET 109 -14.178 -2.056 -14.942 851 H TYR 110 H TYR 110 -14.358 2.723 -15.968 852 HA TYR 110 HA TYR 110 -14.449 1.471 -13.509 853 HB2 TYR 110 2HB TYR 110 -12.543 2.819 -14.310 854 HB3 TYR 110 3HB TYR 110 -13.488 4.284 -14.072 855 HD1 TYR 110 HD1 TYR 110 -13.696 5.276 -11.923 856 HD2 TYR 110 HD2 TYR 110 -11.857 1.461 -12.333 857 HE1 TYR 110 HE1 TYR 110 -12.904 5.415 -9.598 858 HE2 TYR 110 HE2 TYR 110 -11.062 1.589 -10.009 859 HH TYR 110 HH TYR 110 -10.923 2.832 -8.176 860 H SER 111 H SER 111 -16.071 4.429 -14.550 861 HA SER 111 HA SER 111 -17.227 4.873 -11.935 862 HB2 SER 111 2HB SER 111 -18.001 6.911 -12.762 863 HB3 SER 111 3HB SER 111 -16.535 6.661 -13.710 864 HG SER 111 HG SER 111 -17.733 6.657 -15.424 865 H GLN 112 H GLN 112 -18.163 3.501 -15.008 866 HA GLN 112 HA GLN 112 -20.946 3.468 -14.656 867 HB2 GLN 112 2HB GLN 112 -20.031 3.013 -16.823 868 HB3 GLN 112 3HB GLN 112 -19.109 1.645 -16.210 869 HG2 GLN 112 2HG GLN 112 -20.842 0.244 -16.374 870 HG3 GLN 112 3HG GLN 112 -21.995 1.439 -15.783 871 HE21 GLN 112 1HE2 GLN 112 -22.523 3.198 -17.356 872 HE22 GLN 112 2HE2 GLN 112 -22.719 2.744 -19.011 873 H MET 113 H MET 113 -18.425 1.479 -13.334 874 HA MET 113 HA MET 113 -20.238 -0.588 -12.438 875 HB2 MET 113 2HB MET 113 -17.466 -0.405 -12.867 876 HB3 MET 113 3HB MET 113 -17.664 -0.650 -11.137 877 HG2 MET 113 2HG MET 113 -19.415 -2.444 -12.411 878 HG3 MET 113 3HG MET 113 -17.878 -2.537 -13.267 879 HE1 MET 113 1HE MET 113 -15.523 -4.271 -11.172 880 HE2 MET 113 2HE MET 113 -16.675 -5.034 -12.267 881 HE3 MET 113 3HE MET 113 -15.983 -3.463 -12.671 882 H GLY 114 H GLY 114 -18.976 2.388 -11.258 883 HA2 GLY 114 2HA GLY 114 -20.102 3.455 -9.406 884 HA3 GLY 114 3HA GLY 114 -20.293 1.870 -8.671 885 H LEU 115 H LEU 115 -17.272 2.735 -10.140 886 HA LEU 115 HA LEU 115 -16.003 2.623 -7.514 887 HB2 LEU 115 2HB LEU 115 -14.599 2.801 -10.160 888 HB3 LEU 115 3HB LEU 115 -13.979 2.184 -8.631 889 HG LEU 115 HG LEU 115 -15.986 0.857 -10.449 890 HD11 LEU 115 1HD1 LEU 115 -13.872 0.479 -11.344 891 HD12 LEU 115 2HD1 LEU 115 -14.152 -0.938 -10.333 892 HD13 LEU 115 3HD1 LEU 115 -13.112 0.364 -9.756 893 HD21 LEU 115 1HD2 LEU 115 -15.139 0.255 -7.641 894 HD22 LEU 115 2HD2 LEU 115 -15.626 -1.042 -8.731 895 HD23 LEU 115 3HD2 LEU 115 -16.755 0.256 -8.345 896 H ASP 116 H ASP 116 -16.742 4.857 -10.048 897 HA ASP 116 HA ASP 116 -15.215 6.943 -8.630 898 HB2 ASP 116 2HB ASP 116 -14.188 6.806 -10.733 899 HB3 ASP 116 3HB ASP 116 -15.715 6.528 -11.564 900 H THR 117 H THR 117 -16.835 7.655 -7.292 901 HA THR 117 HA THR 117 -19.517 8.043 -8.000 902 HB THR 117 HB THR 117 -18.407 9.918 -6.001 903 HG1 THR 117 HG1 THR 117 -18.213 7.088 -5.730 904 HG21 THR 117 1HG2 THR 117 -20.509 9.778 -5.277 905 HG22 THR 117 2HG2 THR 117 -20.331 8.043 -5.015 906 HG23 THR 117 3HG2 THR 117 -20.862 8.649 -6.583 907 H ARG 118 H ARG 118 -20.631 9.706 -8.888 908 HA ARG 118 HA ARG 118 -19.062 12.034 -9.784 909 HB2 ARG 118 2HB ARG 118 -21.086 10.348 -11.168 910 HB3 ARG 118 3HB ARG 118 -21.077 12.068 -11.532 911 HG2 ARG 118 2HG ARG 118 -18.851 11.976 -12.338 912 HG3 ARG 118 3HG ARG 118 -18.626 10.339 -11.717 913 HD2 ARG 118 2HD ARG 118 -20.078 9.421 -13.334 914 HD3 ARG 118 3HD ARG 118 -20.708 11.006 -13.779 915 HE ARG 118 HE ARG 118 -17.965 10.993 -14.295 916 HH11 ARG 118 1HH1 ARG 118 -20.867 9.439 -15.428 917 HH12 ARG 118 2HH1 ARG 118 -20.269 9.204 -17.038 918 HH21 ARG 118 1HH2 ARG 118 -17.166 10.689 -16.410 919 HH22 ARG 118 2HH2 ARG 118 -18.163 9.915 -17.595 920 HA PRO 119 HA PRO 119 -22.434 13.494 -6.925 921 HB2 PRO 119 2HB PRO 119 -20.828 15.134 -5.475 922 HB3 PRO 119 3HB PRO 119 -21.045 13.421 -5.096 923 HG2 PRO 119 2HG PRO 119 -18.815 14.767 -6.572 924 HG3 PRO 119 3HG PRO 119 -18.733 13.492 -5.342 925 HD2 PRO 119 2HD PRO 119 -18.510 12.978 -7.991 926 HD3 PRO 119 3HD PRO 119 -19.242 11.829 -6.853 Start of MODEL 20 1 H1 GLY 2 H GLY 2 6.206 0.957 3.002 2 HA2 GLY 2 2HA GLY 2 6.249 -1.085 1.759 3 HA3 GLY 2 3HA GLY 2 4.726 -1.535 2.512 4 H ASN 3 H ASN 3 5.814 1.348 0.721 5 HA ASN 3 HA ASN 3 3.539 0.932 -1.107 6 HB2 ASN 3 2HB ASN 3 3.597 3.472 -1.365 7 HB3 ASN 3 3HB ASN 3 2.981 2.850 0.163 8 HD21 ASN 3 1HD2 ASN 3 3.757 3.745 1.925 9 HD22 ASN 3 2HD2 ASN 3 5.253 4.598 2.061 10 H LEU 4 H LEU 4 3.956 2.541 -3.112 11 HA LEU 4 HA LEU 4 5.071 2.701 -5.093 12 HB2 LEU 4 2HB LEU 4 6.521 3.983 -3.174 13 HB3 LEU 4 3HB LEU 4 7.721 2.883 -3.849 14 HG LEU 4 HG LEU 4 6.183 5.023 -5.314 15 HD11 LEU 4 1HD1 LEU 4 8.885 5.350 -5.734 16 HD12 LEU 4 2HD1 LEU 4 8.790 4.872 -4.039 17 HD13 LEU 4 3HD1 LEU 4 7.886 6.275 -4.612 18 HD21 LEU 4 1HD2 LEU 4 8.162 3.023 -6.403 19 HD22 LEU 4 2HD2 LEU 4 7.424 4.352 -7.297 20 HD23 LEU 4 3HD2 LEU 4 6.425 3.022 -6.709 21 H LYS 5 H LYS 5 4.766 0.037 -3.959 22 HA LYS 5 HA LYS 5 6.989 -1.589 -4.109 23 HB2 LYS 5 2HB LYS 5 4.176 -2.213 -5.032 24 HB3 LYS 5 3HB LYS 5 5.426 -3.411 -4.719 25 HG2 LYS 5 2HG LYS 5 5.295 -1.863 -2.400 26 HG3 LYS 5 3HG LYS 5 3.619 -2.129 -2.889 27 HD2 LYS 5 2HD LYS 5 4.537 -4.605 -3.239 28 HD3 LYS 5 3HD LYS 5 5.679 -4.073 -2.003 29 HE2 LYS 5 2HE LYS 5 3.445 -3.208 -0.861 30 HE3 LYS 5 3HE LYS 5 2.744 -4.498 -1.835 31 HZ1 LYS 5 1HZ LYS 5 3.285 -5.447 0.230 32 HZ2 LYS 5 2HZ LYS 5 4.818 -4.732 0.265 33 HZ3 LYS 5 3HZ LYS 5 4.491 -5.978 -0.831 34 H SER 6 H SER 6 8.470 -1.605 -5.667 35 HA SER 6 HA SER 6 8.105 -0.757 -8.302 36 HB2 SER 6 2HB SER 6 10.315 -1.346 -8.651 37 HB3 SER 6 3HB SER 6 10.284 -1.240 -6.892 38 HG SER 6 HG SER 6 9.817 -3.570 -6.969 39 H ARG 7 H ARG 7 7.321 -3.740 -6.793 40 HA ARG 7 HA ARG 7 7.377 -5.404 -9.098 41 HB2 ARG 7 2HB ARG 7 7.061 -5.831 -6.409 42 HB3 ARG 7 3HB ARG 7 5.434 -6.111 -7.012 43 HG2 ARG 7 2HG ARG 7 6.284 -7.776 -8.573 44 HG3 ARG 7 3HG ARG 7 7.928 -7.479 -8.001 45 HD2 ARG 7 2HD ARG 7 5.686 -8.380 -6.204 46 HD3 ARG 7 3HD ARG 7 6.774 -9.498 -7.026 47 HE ARG 7 HE ARG 7 7.334 -7.989 -4.681 48 HH11 ARG 7 1HH1 ARG 7 8.781 -9.278 -7.573 49 HH12 ARG 7 2HH1 ARG 7 10.369 -9.381 -6.889 50 HH21 ARG 7 1HH2 ARG 7 9.420 -8.120 -3.769 51 HH22 ARG 7 2HH2 ARG 7 10.732 -8.723 -4.725 52 H ASP 8 H ASP 8 4.573 -4.154 -7.277 53 HA ASP 8 HA ASP 8 2.743 -4.714 -9.381 54 HB2 ASP 8 2HB ASP 8 2.225 -2.725 -7.184 55 HB3 ASP 8 3HB ASP 8 1.083 -3.794 -7.994 56 H TRP 9 H TRP 9 4.735 -1.992 -8.565 57 HA TRP 9 HA TRP 9 3.330 -0.048 -10.101 58 HB2 TRP 9 2HB TRP 9 4.823 0.651 -8.320 59 HB3 TRP 9 3HB TRP 9 6.191 -0.118 -9.121 60 HD1 TRP 9 HD1 TRP 9 7.707 1.768 -9.951 61 HE1 TRP 9 HE1 TRP 9 7.374 3.965 -11.251 62 HE3 TRP 9 HE3 TRP 9 2.602 1.786 -10.221 63 HZ2 TRP 9 HZ2 TRP 9 5.230 5.502 -12.255 64 HZ3 TRP 9 HZ3 TRP 9 1.488 3.656 -11.367 65 HH2 TRP 9 HH2 TRP 9 2.777 5.475 -12.363 66 H LYS 10 H LYS 10 6.509 -1.564 -10.695 67 HA LYS 10 HA LYS 10 6.827 -0.718 -13.313 68 HB2 LYS 10 2HB LYS 10 8.504 -1.907 -11.792 69 HB3 LYS 10 3HB LYS 10 7.763 -3.408 -12.330 70 HG2 LYS 10 2HG LYS 10 8.285 -2.717 -14.680 71 HG3 LYS 10 3HG LYS 10 9.214 -1.376 -14.005 72 HD2 LYS 10 2HD LYS 10 10.732 -2.866 -12.933 73 HD3 LYS 10 3HD LYS 10 9.710 -4.261 -13.287 74 HE2 LYS 10 2HE LYS 10 10.080 -3.741 -15.735 75 HE3 LYS 10 3HE LYS 10 11.320 -2.600 -15.214 76 HZ1 LYS 10 1HZ LYS 10 11.946 -4.876 -13.873 77 HZ2 LYS 10 2HZ LYS 10 12.688 -4.337 -15.295 78 HZ3 LYS 10 3HZ LYS 10 11.426 -5.461 -15.373 79 H MET 11 H MET 11 5.203 -3.611 -12.084 80 HA MET 11 HA MET 11 4.665 -4.772 -14.603 81 HB2 MET 11 2HB MET 11 3.534 -5.113 -11.849 82 HB3 MET 11 3HB MET 11 2.755 -5.897 -13.217 83 HG2 MET 11 2HG MET 11 5.636 -6.304 -13.150 84 HG3 MET 11 3HG MET 11 4.807 -6.923 -11.724 85 HE1 MET 11 1HE MET 11 2.942 -6.937 -15.376 86 HE2 MET 11 2HE MET 11 4.675 -6.622 -15.494 87 HE3 MET 11 3HE MET 11 4.014 -8.154 -16.068 88 H ALA 12 H ALA 12 2.704 -2.711 -12.473 89 HA ALA 12 HA ALA 12 0.385 -2.654 -14.032 90 HB1 ALA 12 1HB ALA 12 0.432 -1.863 -11.734 91 HB2 ALA 12 2HB ALA 12 1.472 -0.518 -12.203 92 HB3 ALA 12 3HB ALA 12 -0.182 -0.607 -12.809 93 H ILE 13 H ILE 13 3.315 -0.700 -14.181 94 HA ILE 13 HA ILE 13 2.401 1.239 -15.998 95 HB ILE 13 HB ILE 13 5.208 0.188 -15.622 96 HG12 ILE 13 2HG1 ILE 13 4.306 2.809 -14.543 97 HG13 ILE 13 3HG1 ILE 13 3.736 1.363 -13.717 98 HG21 ILE 13 1HG2 ILE 13 5.490 2.756 -16.422 99 HG22 ILE 13 2HG2 ILE 13 5.568 1.367 -17.504 100 HG23 ILE 13 3HG2 ILE 13 4.066 2.278 -17.346 101 HD11 ILE 13 1HD1 ILE 13 6.238 2.665 -13.492 102 HD12 ILE 13 2HD1 ILE 13 5.656 1.237 -12.637 103 HD13 ILE 13 3HD1 ILE 13 6.512 1.060 -14.168 104 H LYS 14 H LYS 14 4.335 -1.697 -16.602 105 HA LYS 14 HA LYS 14 4.453 -1.538 -19.365 106 HB2 LYS 14 2HB LYS 14 5.713 -3.159 -17.967 107 HB3 LYS 14 3HB LYS 14 4.226 -4.064 -17.719 108 HG2 LYS 14 2HG LYS 14 4.642 -5.213 -19.560 109 HG3 LYS 14 3HG LYS 14 4.531 -3.726 -20.502 110 HD2 LYS 14 2HD LYS 14 6.667 -4.168 -21.042 111 HD3 LYS 14 3HD LYS 14 7.029 -3.508 -19.446 112 HE2 LYS 14 2HE LYS 14 8.167 -5.536 -19.459 113 HE3 LYS 14 3HE LYS 14 6.670 -5.917 -18.608 114 HZ1 LYS 14 1HZ LYS 14 7.158 -6.427 -21.493 115 HZ2 LYS 14 2HZ LYS 14 5.777 -6.863 -20.618 116 HZ3 LYS 14 3HZ LYS 14 7.263 -7.594 -20.273 117 H ARG 15 H ARG 15 1.892 -2.792 -17.301 118 HA ARG 15 HA ARG 15 0.333 -4.029 -19.273 119 HB2 ARG 15 2HB ARG 15 -0.169 -2.946 -16.547 120 HB3 ARG 15 3HB ARG 15 -1.568 -3.275 -17.562 121 HG2 ARG 15 2HG ARG 15 0.314 -5.470 -17.597 122 HG3 ARG 15 3HG ARG 15 -0.214 -5.080 -15.959 123 HD2 ARG 15 2HD ARG 15 -2.503 -5.364 -16.545 124 HD3 ARG 15 3HD ARG 15 -2.115 -5.456 -18.263 125 HE ARG 15 HE ARG 15 -1.952 -7.579 -16.329 126 HH11 ARG 15 1HH1 ARG 15 -0.797 -6.393 -19.391 127 HH12 ARG 15 2HH1 ARG 15 -0.360 -7.962 -19.982 128 HH21 ARG 15 1HH2 ARG 15 -1.380 -9.649 -17.095 129 HH22 ARG 15 2HH2 ARG 15 -0.693 -9.814 -18.675 130 H CYS 16 H CYS 16 0.055 -0.750 -17.904 131 HA CYS 16 HA CYS 16 -1.990 0.069 -19.689 132 HB2 CYS 16 2HB CYS 16 -1.500 1.125 -17.468 133 HB3 CYS 16 3HB CYS 16 -0.056 1.834 -18.179 134 HG CYS 16 HG CYS 16 -2.870 3.230 -17.977 135 H SER 17 H SER 17 1.346 -0.362 -20.084 136 HA SER 17 HA SER 17 1.846 1.674 -22.013 137 HB2 SER 17 2HB SER 17 3.478 0.120 -20.574 138 HB3 SER 17 3HB SER 17 3.444 -0.838 -22.055 139 HG SER 17 HG SER 17 4.385 0.774 -23.145 140 H ASN 18 H ASN 18 -0.010 -1.089 -22.141 141 HA ASN 18 HA ASN 18 0.381 -1.402 -25.041 142 HB2 ASN 18 2HB ASN 18 0.129 -3.309 -22.970 143 HB3 ASN 18 3HB ASN 18 -1.352 -3.405 -23.920 144 HD21 ASN 18 1HD2 ASN 18 2.127 -3.681 -23.997 145 HD22 ASN 18 2HD2 ASN 18 2.218 -4.582 -25.469 146 H VAL 19 H VAL 19 -1.270 0.598 -23.406 147 HA VAL 19 HA VAL 19 -3.953 -0.012 -24.398 148 HB VAL 19 HB VAL 19 -4.773 1.725 -23.006 149 HG11 VAL 19 1HG1 VAL 19 -2.566 0.233 -21.594 150 HG12 VAL 19 2HG1 VAL 19 -3.852 1.125 -20.778 151 HG13 VAL 19 3HG1 VAL 19 -4.245 -0.273 -21.779 152 HG21 VAL 19 1HG2 VAL 19 -2.896 3.000 -21.624 153 HG22 VAL 19 2HG2 VAL 19 -1.962 2.676 -23.084 154 HG23 VAL 19 3HG2 VAL 19 -3.469 3.586 -23.186 155 H ALA 20 H ALA 20 -5.186 1.737 -25.454 156 HA ALA 20 HA ALA 20 -3.457 3.238 -27.305 157 HB1 ALA 20 1HB ALA 20 -6.307 2.891 -27.975 158 HB2 ALA 20 2HB ALA 20 -4.876 2.778 -28.999 159 HB3 ALA 20 3HB ALA 20 -5.329 1.423 -27.965 160 H VAL 21 H VAL 21 -3.852 5.398 -27.728 161 HA VAL 21 HA VAL 21 -4.757 7.000 -25.639 162 HB VAL 21 HB VAL 21 -4.677 7.835 -28.538 163 HG11 VAL 21 1HG1 VAL 21 -4.898 9.236 -25.949 164 HG12 VAL 21 2HG1 VAL 21 -3.802 9.953 -27.133 165 HG13 VAL 21 3HG1 VAL 21 -5.498 9.691 -27.544 166 HG21 VAL 21 1HG2 VAL 21 -2.544 6.951 -26.801 167 HG22 VAL 21 2HG2 VAL 21 -2.502 7.350 -28.518 168 HG23 VAL 21 3HG2 VAL 21 -2.305 8.622 -27.313 169 H GLY 22 H GLY 22 -6.503 5.509 -28.240 170 HA2 GLY 22 2HA GLY 22 -9.017 6.006 -27.057 171 HA3 GLY 22 3HA GLY 22 -8.765 7.143 -28.372 172 H VAL 23 H VAL 23 -10.770 5.917 -29.079 173 HA VAL 23 HA VAL 23 -10.329 3.270 -30.147 174 HB VAL 23 HB VAL 23 -12.628 3.478 -31.034 175 HG11 VAL 23 1HG1 VAL 23 -11.845 3.103 -28.459 176 HG12 VAL 23 2HG1 VAL 23 -13.015 4.413 -28.281 177 HG13 VAL 23 3HG1 VAL 23 -13.496 2.898 -29.046 178 HG21 VAL 23 1HG2 VAL 23 -13.655 5.708 -29.762 179 HG22 VAL 23 2HG2 VAL 23 -12.140 6.283 -30.458 180 HG23 VAL 23 3HG2 VAL 23 -13.359 5.538 -31.492 181 H GLY 24 H GLY 24 -10.236 6.552 -31.293 182 HA2 GLY 24 2HA GLY 24 -10.421 5.915 -34.080 183 HA3 GLY 24 3HA GLY 24 -9.915 7.451 -33.395 184 H GLY 25 H GLY 25 -8.919 4.703 -35.048 185 HA2 GLY 25 2HA GLY 25 -6.854 4.248 -35.988 186 HA3 GLY 25 3HA GLY 25 -6.205 5.647 -35.146 187 H LYS 26 H LYS 26 -6.173 2.320 -35.332 188 HA LYS 26 HA LYS 26 -5.912 1.457 -32.704 189 HB2 LYS 26 2HB LYS 26 -5.365 0.417 -35.326 190 HB3 LYS 26 3HB LYS 26 -4.043 -0.001 -34.244 191 HG2 LYS 26 2HG LYS 26 -5.328 -1.371 -32.972 192 HG3 LYS 26 3HG LYS 26 -6.800 -0.437 -33.252 193 HD2 LYS 26 2HD LYS 26 -7.032 -1.354 -35.458 194 HD3 LYS 26 3HD LYS 26 -5.459 -2.149 -35.343 195 HE2 LYS 26 2HE LYS 26 -6.245 -3.812 -33.997 196 HE3 LYS 26 3HE LYS 26 -7.474 -2.784 -33.260 197 HZ1 LYS 26 1HZ LYS 26 -8.262 -4.612 -34.810 198 HZ2 LYS 26 2HZ LYS 26 -7.669 -3.662 -36.077 199 HZ3 LYS 26 3HZ LYS 26 -8.893 -3.064 -35.074 200 H SER 27 H SER 27 -3.535 2.932 -34.850 201 HA SER 27 HA SER 27 -1.255 2.513 -33.272 202 HB2 SER 27 2HB SER 27 -1.407 3.372 -35.692 203 HB3 SER 27 3HB SER 27 -1.667 4.964 -34.979 204 HG SER 27 HG SER 27 0.395 5.069 -34.658 205 H LYS 28 H LYS 28 -0.014 4.671 -32.524 206 HA LYS 28 HA LYS 28 0.202 6.249 -30.901 207 HB2 LYS 28 2HB LYS 28 -2.068 6.983 -32.369 208 HB3 LYS 28 3HB LYS 28 -2.552 7.116 -30.684 209 HG2 LYS 28 2HG LYS 28 -0.598 8.555 -30.263 210 HG3 LYS 28 3HG LYS 28 -0.189 8.463 -31.978 211 HD2 LYS 28 2HD LYS 28 -2.895 9.394 -31.077 212 HD3 LYS 28 3HD LYS 28 -1.523 10.503 -31.132 213 HE2 LYS 28 2HE LYS 28 -1.202 9.960 -33.507 214 HE3 LYS 28 3HE LYS 28 -2.596 8.884 -33.442 215 HZ1 LYS 28 1HZ LYS 28 -3.586 11.199 -32.472 216 HZ2 LYS 28 2HZ LYS 28 -3.736 10.679 -34.074 217 HZ3 LYS 28 3HZ LYS 28 -2.502 11.753 -33.647 218 H LYS 29 H LYS 29 0.630 5.002 -29.136 219 HA LYS 29 HA LYS 29 -1.672 4.143 -27.511 220 HB2 LYS 29 2HB LYS 29 0.047 2.616 -26.411 221 HB3 LYS 29 3HB LYS 29 -0.431 2.214 -28.055 222 HG2 LYS 29 2HG LYS 29 1.599 2.902 -28.948 223 HG3 LYS 29 3HG LYS 29 2.000 3.878 -27.534 224 HD2 LYS 29 2HD LYS 29 1.898 1.532 -26.323 225 HD3 LYS 29 3HD LYS 29 2.235 0.939 -27.951 226 HE2 LYS 29 2HE LYS 29 4.189 2.467 -28.044 227 HE3 LYS 29 3HE LYS 29 3.878 2.911 -26.366 228 HZ1 LYS 29 1HZ LYS 29 4.740 1.000 -25.617 229 HZ2 LYS 29 2HZ LYS 29 5.501 0.923 -27.125 230 HZ3 LYS 29 3HZ LYS 29 4.067 0.068 -26.858 231 H PHE 30 H PHE 30 -1.231 4.133 -25.121 232 HA PHE 30 HA PHE 30 -0.264 6.740 -24.355 233 HB2 PHE 30 2HB PHE 30 -2.277 5.176 -23.423 234 HB3 PHE 30 3HB PHE 30 -1.022 4.822 -22.240 235 HD1 PHE 30 HD1 PHE 30 -2.225 7.879 -24.019 236 HD2 PHE 30 HD2 PHE 30 -1.228 6.035 -20.314 237 HE1 PHE 30 HE1 PHE 30 -2.755 9.971 -22.838 238 HE2 PHE 30 HE2 PHE 30 -1.756 8.124 -19.128 239 HZ PHE 30 HZ PHE 30 -2.523 10.096 -20.390 240 H GLY 31 H GLY 31 1.950 6.767 -24.548 241 HA2 GLY 31 2HA GLY 31 3.624 4.675 -23.559 242 HA3 GLY 31 3HA GLY 31 4.151 6.268 -24.082 243 H GLU 32 H GLU 32 5.519 5.387 -22.050 244 HA GLU 32 HA GLU 32 4.452 5.704 -19.474 245 HB2 GLU 32 2HB GLU 32 7.069 5.331 -20.663 246 HB3 GLU 32 3HB GLU 32 7.143 6.439 -19.301 247 HG2 GLU 32 2HG GLU 32 5.652 4.530 -18.194 248 HG3 GLU 32 3HG GLU 32 6.528 3.551 -19.369 249 H GLY 33 H GLY 33 5.526 8.015 -21.826 250 HA2 GLY 33 2HA GLY 33 6.026 10.200 -20.107 251 HA3 GLY 33 3HA GLY 33 5.620 10.309 -21.813 252 H ASN 34 H ASN 34 3.126 9.443 -22.040 253 HA ASN 34 HA ASN 34 1.578 11.564 -21.023 254 HB2 ASN 34 2HB ASN 34 0.446 8.960 -22.038 255 HB3 ASN 34 3HB ASN 34 -0.267 10.567 -22.133 256 HD21 ASN 34 1HD2 ASN 34 0.331 8.593 -24.224 257 HD22 ASN 34 2HD2 ASN 34 1.335 9.413 -25.366 258 H PHE 35 H PHE 35 1.984 8.217 -19.993 259 HA PHE 35 HA PHE 35 -0.072 8.236 -18.043 260 HB2 PHE 35 2HB PHE 35 0.644 6.106 -18.768 261 HB3 PHE 35 3HB PHE 35 2.340 6.491 -18.491 262 HD1 PHE 35 HD1 PHE 35 3.331 5.505 -16.681 263 HD2 PHE 35 HD2 PHE 35 -0.840 6.344 -16.539 264 HE1 PHE 35 HE1 PHE 35 3.201 4.471 -14.452 265 HE2 PHE 35 HE2 PHE 35 -0.975 5.312 -14.309 266 HZ PHE 35 HZ PHE 35 1.047 4.374 -13.263 267 H ARG 36 H ARG 36 3.470 8.278 -17.600 268 HA ARG 36 HA ARG 36 3.527 8.806 -14.895 269 HB2 ARG 36 2HB ARG 36 5.479 8.290 -16.446 270 HB3 ARG 36 3HB ARG 36 5.487 10.002 -16.851 271 HG2 ARG 36 2HG ARG 36 5.482 9.920 -14.066 272 HG3 ARG 36 3HG ARG 36 6.598 8.649 -14.568 273 HD2 ARG 36 2HD ARG 36 7.769 10.764 -14.288 274 HD3 ARG 36 3HD ARG 36 7.790 10.258 -15.977 275 HE ARG 36 HE ARG 36 5.605 11.916 -15.706 276 HH11 ARG 36 1HH1 ARG 36 9.049 12.161 -15.264 277 HH12 ARG 36 2HH1 ARG 36 9.110 13.847 -15.654 278 HH21 ARG 36 1HH2 ARG 36 5.672 14.136 -16.223 279 HH22 ARG 36 2HH2 ARG 36 7.189 14.971 -16.199 280 H TRP 37 H TRP 37 2.888 10.983 -17.542 281 HA TRP 37 HA TRP 37 3.241 13.406 -16.097 282 HB2 TRP 37 2HB TRP 37 3.326 13.611 -18.442 283 HB3 TRP 37 3HB TRP 37 1.839 12.695 -18.664 284 HD1 TRP 37 HD1 TRP 37 3.106 16.199 -17.856 285 HE1 TRP 37 HE1 TRP 37 1.142 17.854 -18.035 286 HE3 TRP 37 HE3 TRP 37 -0.722 12.859 -18.423 287 HZ2 TRP 37 HZ2 TRP 37 -1.658 17.756 -18.372 288 HZ3 TRP 37 HZ3 TRP 37 -3.014 13.721 -18.667 289 HH2 TRP 37 HH2 TRP 37 -3.470 16.120 -18.640 290 H ALA 38 H ALA 38 0.378 11.469 -16.921 291 HA ALA 38 HA ALA 38 -1.475 13.170 -15.610 292 HB1 ALA 38 1HB ALA 38 -1.670 10.283 -16.446 293 HB2 ALA 38 2HB ALA 38 -3.018 11.220 -15.800 294 HB3 ALA 38 3HB ALA 38 -2.261 11.696 -17.320 295 H ILE 39 H ILE 39 0.628 10.639 -14.526 296 HA ILE 39 HA ILE 39 -0.756 10.086 -12.083 297 HB ILE 39 HB ILE 39 2.072 9.483 -12.946 298 HG12 ILE 39 2HG1 ILE 39 0.243 8.327 -14.176 299 HG13 ILE 39 3HG1 ILE 39 1.265 7.222 -13.263 300 HG21 ILE 39 1HG2 ILE 39 0.641 8.989 -10.381 301 HG22 ILE 39 2HG2 ILE 39 1.770 7.772 -10.975 302 HG23 ILE 39 3HG2 ILE 39 2.329 9.417 -10.669 303 HD11 ILE 39 1HD1 ILE 39 -1.513 7.415 -13.198 304 HD12 ILE 39 2HD1 ILE 39 -0.478 6.455 -12.140 305 HD13 ILE 39 3HD1 ILE 39 -0.959 8.084 -11.664 306 H ARG 40 H ARG 40 2.480 11.507 -12.575 307 HA ARG 40 HA ARG 40 2.801 12.554 -10.040 308 HB2 ARG 40 2HB ARG 40 3.853 13.533 -12.694 309 HB3 ARG 40 3HB ARG 40 4.368 14.202 -11.152 310 HG2 ARG 40 2HG ARG 40 4.694 11.487 -10.809 311 HG3 ARG 40 3HG ARG 40 5.178 11.758 -12.483 312 HD2 ARG 40 2HD ARG 40 6.919 13.149 -11.895 313 HD3 ARG 40 3HD ARG 40 6.183 13.590 -10.355 314 HE ARG 40 HE ARG 40 6.860 10.839 -10.396 315 HH11 ARG 40 1HH1 ARG 40 8.251 14.016 -10.102 316 HH12 ARG 40 2HH1 ARG 40 9.609 13.478 -9.171 317 HH21 ARG 40 1HH2 ARG 40 8.643 10.117 -9.170 318 HH22 ARG 40 2HH2 ARG 40 9.832 11.260 -8.641 319 H MET 41 H MET 41 1.114 13.915 -12.808 320 HA MET 41 HA MET 41 0.717 16.498 -11.687 321 HB2 MET 41 2HB MET 41 0.577 16.103 -14.097 322 HB3 MET 41 3HB MET 41 -0.816 15.057 -13.858 323 HG2 MET 41 2HG MET 41 -2.175 16.792 -13.977 324 HG3 MET 41 3HG MET 41 -1.346 17.564 -12.628 325 HE1 MET 41 1HE MET 41 0.764 20.249 -14.093 326 HE2 MET 41 2HE MET 41 -0.614 20.039 -13.013 327 HE3 MET 41 3HE MET 41 0.791 18.981 -12.868 328 H ALA 42 H ALA 42 -1.497 13.732 -12.104 329 HA ALA 42 HA ALA 42 -3.708 14.760 -10.809 330 HB1 ALA 42 1HB ALA 42 -3.962 12.726 -11.969 331 HB2 ALA 42 2HB ALA 42 -2.694 11.938 -11.030 332 HB3 ALA 42 3HB ALA 42 -4.235 12.336 -10.271 333 H ASN 43 H ASN 43 -0.738 13.542 -9.459 334 HA ASN 43 HA ASN 43 -1.714 13.223 -6.791 335 HB2 ASN 43 2HB ASN 43 1.149 13.601 -7.692 336 HB3 ASN 43 3HB ASN 43 0.602 12.897 -6.174 337 HD21 ASN 43 1HD2 ASN 43 2.330 11.682 -8.069 338 HD22 ASN 43 2HD2 ASN 43 1.543 10.259 -8.655 339 H VAL 44 H VAL 44 0.660 15.549 -8.096 340 HA VAL 44 HA VAL 44 0.658 17.288 -5.933 341 HB VAL 44 HB VAL 44 1.078 18.013 -8.837 342 HG11 VAL 44 1HG1 VAL 44 0.882 20.053 -7.760 343 HG12 VAL 44 2HG1 VAL 44 1.602 19.449 -6.266 344 HG13 VAL 44 3HG1 VAL 44 2.617 19.748 -7.677 345 HG21 VAL 44 1HG2 VAL 44 2.511 16.162 -8.055 346 HG22 VAL 44 2HG2 VAL 44 3.432 17.619 -8.431 347 HG23 VAL 44 3HG2 VAL 44 3.100 17.195 -6.752 348 H SER 45 H SER 45 -1.349 17.356 -8.858 349 HA SER 45 HA SER 45 -2.676 19.745 -8.474 350 HB2 SER 45 2HB SER 45 -3.694 17.147 -9.641 351 HB3 SER 45 3HB SER 45 -4.573 18.673 -9.741 352 HG SER 45 HG SER 45 -3.132 19.437 -11.131 353 H THR 46 H THR 46 -3.218 16.639 -6.935 354 HA THR 46 HA THR 46 -5.510 17.719 -5.463 355 HB THR 46 HB THR 46 -5.728 15.351 -4.607 356 HG1 THR 46 HG1 THR 46 -4.033 14.148 -5.003 357 HG21 THR 46 1HG2 THR 46 -7.285 15.477 -6.217 358 HG22 THR 46 2HG2 THR 46 -6.136 14.596 -7.223 359 HG23 THR 46 3HG2 THR 46 -6.211 16.355 -7.304 360 H GLY 47 H GLY 47 -2.865 18.697 -4.891 361 HA2 GLY 47 2HA GLY 47 -1.464 19.095 -3.114 362 HA3 GLY 47 3HA GLY 47 -2.876 18.745 -2.128 363 H ARG 48 H ARG 48 -0.853 16.695 -4.221 364 HA ARG 48 HA ARG 48 -0.204 15.072 -1.854 365 HB2 ARG 48 2HB ARG 48 -1.907 14.273 -3.896 366 HB3 ARG 48 3HB ARG 48 -0.373 13.523 -4.315 367 HG2 ARG 48 2HG ARG 48 -1.019 11.884 -2.949 368 HG3 ARG 48 3HG ARG 48 -0.556 12.981 -1.646 369 HD2 ARG 48 2HD ARG 48 -3.287 13.227 -2.799 370 HD3 ARG 48 3HD ARG 48 -2.949 11.857 -1.741 371 HE ARG 48 HE ARG 48 -2.022 13.962 -0.325 372 HH11 ARG 48 1HH1 ARG 48 -5.052 13.306 -1.909 373 HH12 ARG 48 2HH1 ARG 48 -5.988 14.249 -0.796 374 HH21 ARG 48 1HH2 ARG 48 -3.241 15.205 1.147 375 HH22 ARG 48 2HH2 ARG 48 -4.956 15.329 0.942 376 H GLU 49 H GLU 49 1.742 13.776 -2.071 377 HA GLU 49 HA GLU 49 3.947 15.187 -2.945 378 HB2 GLU 49 2HB GLU 49 3.445 12.367 -2.167 379 HB3 GLU 49 3HB GLU 49 4.939 12.692 -3.035 380 HG2 GLU 49 2HG GLU 49 5.057 14.646 -1.210 381 HG3 GLU 49 3HG GLU 49 4.121 13.456 -0.308 382 HA PRO 50 HA PRO 50 4.374 14.618 -7.272 383 HB2 PRO 50 2HB PRO 50 7.049 14.258 -7.556 384 HB3 PRO 50 3HB PRO 50 6.329 15.818 -7.142 385 HG2 PRO 50 2HG PRO 50 7.608 13.788 -5.352 386 HG3 PRO 50 3HG PRO 50 7.781 15.553 -5.346 387 HD2 PRO 50 2HD PRO 50 6.171 14.240 -3.609 388 HD3 PRO 50 3HD PRO 50 5.800 15.868 -4.211 389 H GLY 51 H GLY 51 6.400 12.268 -5.501 390 HA2 GLY 51 2HA GLY 51 6.052 10.313 -7.625 391 HA3 GLY 51 3HA GLY 51 7.046 10.128 -6.188 392 H ASP 52 H ASP 52 3.587 10.844 -6.623 393 HA ASP 52 HA ASP 52 2.921 8.925 -4.565 394 HB2 ASP 52 2HB ASP 52 1.745 11.274 -5.556 395 HB3 ASP 52 3HB ASP 52 0.630 9.977 -5.977 396 H ILE 53 H ILE 53 2.605 6.847 -4.965 397 HA ILE 53 HA ILE 53 1.509 6.067 -7.586 398 HB ILE 53 HB ILE 53 3.574 4.562 -5.974 399 HG12 ILE 53 2HG1 ILE 53 4.529 6.488 -7.130 400 HG13 ILE 53 3HG1 ILE 53 5.043 4.997 -7.912 401 HG21 ILE 53 1HG2 ILE 53 1.989 3.860 -8.412 402 HG22 ILE 53 2HG2 ILE 53 3.597 3.181 -8.164 403 HG23 ILE 53 3HG2 ILE 53 2.325 2.890 -6.978 404 HD11 ILE 53 1HD1 ILE 53 3.246 7.138 -8.896 405 HD12 ILE 53 2HD1 ILE 53 4.512 6.242 -9.736 406 HD13 ILE 53 3HD1 ILE 53 2.948 5.485 -9.432 407 HA PRO 54 HA PRO 54 -1.305 4.542 -4.245 408 HB2 PRO 54 2HB PRO 54 -3.586 5.148 -5.587 409 HB3 PRO 54 3HB PRO 54 -2.729 6.315 -4.574 410 HG2 PRO 54 2HG PRO 54 -2.666 5.984 -7.549 411 HG3 PRO 54 3HG PRO 54 -2.759 7.473 -6.591 412 HD2 PRO 54 2HD PRO 54 -0.448 6.587 -7.692 413 HD3 PRO 54 3HD PRO 54 -0.494 7.483 -6.160 414 H GLU 55 H GLU 55 -0.950 2.371 -4.474 415 HA GLU 55 HA GLU 55 -1.825 1.029 -6.915 416 HB2 GLU 55 2HB GLU 55 0.389 0.584 -5.596 417 HB3 GLU 55 3HB GLU 55 -0.642 -0.388 -4.553 418 HG2 GLU 55 2HG GLU 55 -1.285 -1.158 -7.157 419 HG3 GLU 55 3HG GLU 55 0.471 -1.013 -7.127 420 H THR 56 H THR 56 -3.892 2.141 -5.416 421 HA THR 56 HA THR 56 -5.387 -0.273 -4.742 422 HB THR 56 HB THR 56 -6.204 0.518 -2.652 423 HG1 THR 56 HG1 THR 56 -6.034 2.569 -2.011 424 HG21 THR 56 1HG2 THR 56 -3.264 1.175 -2.590 425 HG22 THR 56 2HG2 THR 56 -3.876 -0.474 -2.716 426 HG23 THR 56 3HG2 THR 56 -4.255 0.500 -1.296 427 H LEU 57 H LEU 57 -7.376 -0.223 -5.579 428 HA LEU 57 HA LEU 57 -8.273 1.737 -7.300 429 HB2 LEU 57 2HB LEU 57 -9.128 -0.609 -7.086 430 HB3 LEU 57 3HB LEU 57 -10.051 -0.079 -5.682 431 HG LEU 57 HG LEU 57 -10.942 1.691 -7.495 432 HD11 LEU 57 1HD1 LEU 57 -11.239 0.680 -9.638 433 HD12 LEU 57 2HD1 LEU 57 -10.479 -0.816 -9.099 434 HD13 LEU 57 3HD1 LEU 57 -9.518 0.653 -9.259 435 HD21 LEU 57 1HD2 LEU 57 -12.074 -0.163 -6.018 436 HD22 LEU 57 2HD2 LEU 57 -12.166 -1.026 -7.553 437 HD23 LEU 57 3HD2 LEU 57 -12.930 0.555 -7.383 438 H ASP 58 H ASP 58 -8.599 1.533 -3.836 439 HA ASP 58 HA ASP 58 -10.668 3.432 -3.513 440 HB2 ASP 58 2HB ASP 58 -9.239 1.766 -1.836 441 HB3 ASP 58 3HB ASP 58 -8.708 3.372 -1.344 442 H GLN 59 H GLN 59 -7.134 3.764 -3.187 443 HA GLN 59 HA GLN 59 -7.065 6.499 -2.691 444 HB2 GLN 59 2HB GLN 59 -5.132 4.502 -3.743 445 HB3 GLN 59 3HB GLN 59 -4.741 6.201 -3.978 446 HG2 GLN 59 2HG GLN 59 -4.236 6.508 -1.826 447 HG3 GLN 59 3HG GLN 59 -5.607 5.551 -1.267 448 HE21 GLN 59 1HE2 GLN 59 -2.432 5.200 -2.797 449 HE22 GLN 59 2HE2 GLN 59 -2.015 3.729 -1.994 450 H LEU 60 H LEU 60 -6.994 4.760 -5.777 451 HA LEU 60 HA LEU 60 -6.654 7.023 -7.422 452 HB2 LEU 60 2HB LEU 60 -7.837 4.306 -7.944 453 HB3 LEU 60 3HB LEU 60 -7.639 5.523 -9.203 454 HG LEU 60 HG LEU 60 -5.162 5.053 -7.777 455 HD11 LEU 60 1HD1 LEU 60 -5.473 2.843 -7.436 456 HD12 LEU 60 2HD1 LEU 60 -5.044 2.752 -9.143 457 HD13 LEU 60 3HD1 LEU 60 -6.739 2.718 -8.657 458 HD21 LEU 60 1HD2 LEU 60 -5.903 5.980 -10.201 459 HD22 LEU 60 2HD2 LEU 60 -5.462 4.323 -10.614 460 HD23 LEU 60 3HD2 LEU 60 -4.288 5.378 -9.828 461 H ARG 61 H ARG 61 -9.592 5.202 -6.558 462 HA ARG 61 HA ARG 61 -11.441 6.737 -7.941 463 HB2 ARG 61 2HB ARG 61 -11.989 4.605 -6.858 464 HB3 ARG 61 3HB ARG 61 -11.801 5.354 -5.277 465 HG2 ARG 61 2HG ARG 61 -13.721 6.629 -7.125 466 HG3 ARG 61 3HG ARG 61 -14.162 5.046 -6.480 467 HD2 ARG 61 2HD ARG 61 -13.103 7.029 -4.555 468 HD3 ARG 61 3HD ARG 61 -14.705 7.345 -5.219 469 HE ARG 61 HE ARG 61 -13.984 5.303 -3.340 470 HH11 ARG 61 1HH1 ARG 61 -16.237 6.209 -5.834 471 HH12 ARG 61 2HH1 ARG 61 -17.508 5.194 -5.236 472 HH21 ARG 61 1HH2 ARG 61 -15.649 3.963 -2.543 473 HH22 ARG 61 2HH2 ARG 61 -17.173 3.918 -3.364 474 H LEU 62 H LEU 62 -9.751 7.416 -4.982 475 HA LEU 62 HA LEU 62 -11.476 9.507 -4.085 476 HB2 LEU 62 2HB LEU 62 -9.242 8.122 -3.096 477 HB3 LEU 62 3HB LEU 62 -8.773 9.819 -3.167 478 HG LEU 62 HG LEU 62 -9.611 9.312 -0.971 479 HD11 LEU 62 1HD1 LEU 62 -11.996 10.723 -1.718 480 HD12 LEU 62 2HD1 LEU 62 -10.619 11.324 -2.638 481 HD13 LEU 62 3HD1 LEU 62 -10.563 11.312 -0.876 482 HD21 LEU 62 1HD2 LEU 62 -11.518 8.163 -0.492 483 HD22 LEU 62 2HD2 LEU 62 -11.131 7.424 -2.047 484 HD23 LEU 62 3HD2 LEU 62 -12.345 8.701 -1.955 485 H VAL 63 H VAL 63 -8.165 9.613 -5.419 486 HA VAL 63 HA VAL 63 -8.019 12.366 -5.778 487 HB VAL 63 HB VAL 63 -6.300 11.862 -7.538 488 HG11 VAL 63 1HG1 VAL 63 -4.686 11.111 -5.996 489 HG12 VAL 63 2HG1 VAL 63 -5.894 11.961 -5.031 490 HG13 VAL 63 3HG1 VAL 63 -5.876 10.197 -5.072 491 HG21 VAL 63 1HG2 VAL 63 -5.636 9.508 -7.831 492 HG22 VAL 63 2HG2 VAL 63 -7.044 9.009 -6.894 493 HG23 VAL 63 3HG2 VAL 63 -7.259 9.827 -8.441 494 H ILE 64 H ILE 64 -9.385 9.879 -7.856 495 HA ILE 64 HA ILE 64 -9.748 11.487 -10.152 496 HB ILE 64 HB ILE 64 -11.270 9.036 -9.260 497 HG12 ILE 64 2HG1 ILE 64 -9.229 9.112 -11.452 498 HG13 ILE 64 3HG1 ILE 64 -8.695 9.025 -9.777 499 HG21 ILE 64 1HG2 ILE 64 -11.317 9.268 -12.053 500 HG22 ILE 64 2HG2 ILE 64 -12.671 9.433 -10.936 501 HG23 ILE 64 3HG2 ILE 64 -11.751 10.857 -11.423 502 HD11 ILE 64 1HD1 ILE 64 -9.020 6.843 -9.789 503 HD12 ILE 64 2HD1 ILE 64 -10.727 7.086 -10.158 504 HD13 ILE 64 3HD1 ILE 64 -9.555 6.932 -11.466 505 H CYS 65 H CYS 65 -11.925 10.647 -7.472 506 HA CYS 65 HA CYS 65 -14.196 11.988 -8.390 507 HB2 CYS 65 2HB CYS 65 -13.425 10.605 -6.053 508 HB3 CYS 65 3HB CYS 65 -14.008 12.178 -5.526 509 HG CYS 65 HG CYS 65 -15.934 9.920 -5.582 510 H ASP 66 H ASP 66 -11.626 13.132 -6.212 511 HA ASP 66 HA ASP 66 -12.675 15.741 -5.908 512 HB2 ASP 66 2HB ASP 66 -11.015 14.674 -4.372 513 HB3 ASP 66 3HB ASP 66 -9.792 14.875 -5.624 514 H LEU 67 H LEU 67 -9.929 14.563 -7.856 515 HA LEU 67 HA LEU 67 -9.279 16.918 -9.138 516 HB2 LEU 67 2HB LEU 67 -8.003 14.802 -9.264 517 HB3 LEU 67 3HB LEU 67 -9.233 14.157 -10.349 518 HG LEU 67 HG LEU 67 -8.647 15.821 -12.029 519 HD11 LEU 67 1HD1 LEU 67 -7.976 17.621 -10.510 520 HD12 LEU 67 2HD1 LEU 67 -6.743 17.300 -11.730 521 HD13 LEU 67 3HD1 LEU 67 -6.526 16.713 -10.082 522 HD21 LEU 67 1HD2 LEU 67 -6.806 14.716 -12.801 523 HD22 LEU 67 2HD2 LEU 67 -7.324 13.587 -11.549 524 HD23 LEU 67 3HD2 LEU 67 -6.006 14.716 -11.229 525 H GLN 68 H GLN 68 -11.816 14.600 -9.920 526 HA GLN 68 HA GLN 68 -12.549 15.677 -12.415 527 HB2 GLN 68 2HB GLN 68 -13.245 13.443 -11.561 528 HB3 GLN 68 3HB GLN 68 -14.327 14.248 -10.432 529 HG2 GLN 68 2HG GLN 68 -15.403 15.317 -12.470 530 HG3 GLN 68 3HG GLN 68 -14.497 14.144 -13.424 531 HE21 GLN 68 1HE2 GLN 68 -16.384 13.168 -14.159 532 HE22 GLN 68 2HE2 GLN 68 -17.351 12.158 -13.144 533 H GLU 69 H GLU 69 -13.902 16.215 -9.167 534 HA GLU 69 HA GLU 69 -15.908 17.999 -9.819 535 HB2 GLU 69 2HB GLU 69 -15.643 17.080 -7.576 536 HB3 GLU 69 3HB GLU 69 -14.150 17.983 -7.361 537 HG2 GLU 69 2HG GLU 69 -15.233 19.982 -7.080 538 HG3 GLU 69 3HG GLU 69 -16.651 19.466 -7.993 539 H ARG 70 H ARG 70 -12.475 18.628 -9.269 540 HA ARG 70 HA ARG 70 -12.650 21.451 -9.436 541 HB2 ARG 70 2HB ARG 70 -10.288 19.641 -9.976 542 HB3 ARG 70 3HB ARG 70 -10.209 21.380 -9.722 543 HG2 ARG 70 2HG ARG 70 -11.398 20.796 -7.463 544 HG3 ARG 70 3HG ARG 70 -10.711 19.198 -7.764 545 HD2 ARG 70 2HD ARG 70 -8.870 19.994 -6.774 546 HD3 ARG 70 3HD ARG 70 -8.597 20.858 -8.287 547 HE ARG 70 HE ARG 70 -10.253 22.455 -6.744 548 HH11 ARG 70 1HH1 ARG 70 -7.037 21.136 -6.553 549 HH12 ARG 70 2HH1 ARG 70 -6.415 22.446 -5.604 550 HH21 ARG 70 1HH2 ARG 70 -9.446 24.185 -5.497 551 HH22 ARG 70 2HH2 ARG 70 -7.786 24.179 -5.003 552 H ARG 71 H ARG 71 -12.156 18.908 -11.814 553 HA ARG 71 HA ARG 71 -11.370 20.502 -13.981 554 HB2 ARG 71 2HB ARG 71 -11.271 18.000 -13.876 555 HB3 ARG 71 3HB ARG 71 -13.013 17.970 -14.115 556 HG2 ARG 71 2HG ARG 71 -11.428 19.494 -16.089 557 HG3 ARG 71 3HG ARG 71 -11.264 17.737 -16.112 558 HD2 ARG 71 2HD ARG 71 -14.018 18.765 -15.913 559 HD3 ARG 71 3HD ARG 71 -13.187 19.098 -17.432 560 HE ARG 71 HE ARG 71 -12.814 16.402 -16.810 561 HH11 ARG 71 1HH1 ARG 71 -15.385 18.579 -17.687 562 HH12 ARG 71 2HH1 ARG 71 -16.334 17.354 -18.462 563 HH21 ARG 71 1HH2 ARG 71 -14.054 14.780 -17.827 564 HH22 ARG 71 2HH2 ARG 71 -15.576 15.194 -18.540 565 H GLU 72 H GLU 72 -14.585 19.532 -12.855 566 HA GLU 72 HA GLU 72 -16.025 20.709 -14.985 567 HB2 GLU 72 2HB GLU 72 -16.672 19.087 -12.883 568 HB3 GLU 72 3HB GLU 72 -17.384 20.614 -12.378 569 HG2 GLU 72 2HG GLU 72 -18.025 20.178 -15.114 570 HG3 GLU 72 3HG GLU 72 -18.400 18.716 -14.203 571 H LYS 73 H LYS 73 -15.490 21.836 -11.645 572 HA LYS 73 HA LYS 73 -16.709 24.337 -11.951 573 HB2 LYS 73 2HB LYS 73 -15.371 22.948 -9.909 574 HB3 LYS 73 3HB LYS 73 -14.492 24.458 -10.103 575 HG2 LYS 73 2HG LYS 73 -16.298 25.746 -9.480 576 HG3 LYS 73 3HG LYS 73 -17.470 24.497 -9.906 577 HD2 LYS 73 2HD LYS 73 -17.018 23.256 -7.968 578 HD3 LYS 73 3HD LYS 73 -15.506 24.115 -7.666 579 HE2 LYS 73 2HE LYS 73 -16.542 25.731 -6.523 580 HE3 LYS 73 3HE LYS 73 -17.804 25.894 -7.744 581 HZ1 LYS 73 1HZ LYS 73 -17.802 24.376 -5.277 582 HZ2 LYS 73 2HZ LYS 73 -18.472 23.572 -6.605 583 HZ3 LYS 73 3HZ LYS 73 -19.093 25.069 -6.122 584 H PHE 74 H PHE 74 -13.596 23.178 -12.920 585 HA PHE 74 HA PHE 74 -12.486 25.825 -13.303 586 HB2 PHE 74 2HB PHE 74 -10.978 24.045 -12.641 587 HB3 PHE 74 3HB PHE 74 -11.448 23.081 -14.036 588 HD1 PHE 74 HD1 PHE 74 -9.423 25.850 -12.839 589 HD2 PHE 74 HD2 PHE 74 -10.700 23.697 -16.281 590 HE1 PHE 74 HE1 PHE 74 -7.603 26.867 -14.147 591 HE2 PHE 74 HE2 PHE 74 -8.883 24.709 -17.594 592 HZ PHE 74 HZ PHE 74 -7.331 26.296 -16.527 593 H GLY 75 H GLY 75 -14.204 23.448 -15.147 594 HA2 GLY 75 2HA GLY 75 -15.379 24.151 -17.132 595 HA3 GLY 75 3HA GLY 75 -14.037 25.228 -17.489 596 H SER 76 H SER 76 -14.342 24.110 -19.626 597 HA SER 76 HA SER 76 -13.625 21.392 -19.944 598 HB2 SER 76 2HB SER 76 -13.159 22.199 -22.373 599 HB3 SER 76 3HB SER 76 -14.808 22.281 -21.755 600 HG SER 76 HG SER 76 -14.640 24.441 -21.546 601 H SER 77 H SER 77 -11.697 20.467 -20.703 602 HA SER 77 HA SER 77 -9.328 21.836 -21.269 603 HB2 SER 77 2HB SER 77 -9.088 22.620 -19.081 604 HB3 SER 77 3HB SER 77 -9.760 21.149 -18.377 605 HG SER 77 HG SER 77 -7.328 21.123 -19.810 606 H LYS 78 H LYS 78 -8.788 20.330 -22.732 607 HA LYS 78 HA LYS 78 -9.212 17.587 -22.570 608 HB2 LYS 78 2HB LYS 78 -7.647 17.373 -24.404 609 HB3 LYS 78 3HB LYS 78 -8.637 18.806 -24.647 610 HG2 LYS 78 2HG LYS 78 -6.860 20.246 -24.021 611 HG3 LYS 78 3HG LYS 78 -5.887 18.896 -23.436 612 HD2 LYS 78 2HD LYS 78 -5.481 18.106 -25.617 613 HD3 LYS 78 3HD LYS 78 -6.772 19.097 -26.302 614 HE2 LYS 78 2HE LYS 78 -5.421 21.111 -25.560 615 HE3 LYS 78 3HE LYS 78 -4.096 19.988 -25.256 616 HZ1 LYS 78 1HZ LYS 78 -3.919 20.980 -27.446 617 HZ2 LYS 78 2HZ LYS 78 -5.452 20.402 -27.866 618 HZ3 LYS 78 3HZ LYS 78 -4.188 19.315 -27.577 619 H GLU 79 H GLU 79 -6.773 19.550 -21.109 620 HA GLU 79 HA GLU 79 -4.844 17.512 -20.657 621 HB2 GLU 79 2HB GLU 79 -5.286 20.060 -19.093 622 HB3 GLU 79 3HB GLU 79 -3.829 19.078 -19.092 623 HG2 GLU 79 2HG GLU 79 -3.299 19.672 -21.305 624 HG3 GLU 79 3HG GLU 79 -4.902 20.348 -21.589 625 H ILE 80 H ILE 80 -7.003 19.139 -18.326 626 HA ILE 80 HA ILE 80 -6.604 17.385 -16.210 627 HB ILE 80 HB ILE 80 -9.153 18.880 -16.834 628 HG12 ILE 80 2HG1 ILE 80 -6.717 19.733 -15.254 629 HG13 ILE 80 3HG1 ILE 80 -7.200 20.367 -16.824 630 HG21 ILE 80 1HG2 ILE 80 -8.064 17.806 -14.236 631 HG22 ILE 80 2HG2 ILE 80 -9.510 18.799 -14.406 632 HG23 ILE 80 3HG2 ILE 80 -9.458 17.189 -15.121 633 HD11 ILE 80 1HD1 ILE 80 -7.965 21.985 -15.388 634 HD12 ILE 80 2HD1 ILE 80 -9.402 20.983 -15.594 635 HD13 ILE 80 3HD1 ILE 80 -8.415 20.822 -14.142 636 H ASP 81 H ASP 81 -8.575 17.047 -19.051 637 HA ASP 81 HA ASP 81 -10.248 14.956 -18.083 638 HB2 ASP 81 2HB ASP 81 -10.712 16.436 -20.084 639 HB3 ASP 81 3HB ASP 81 -9.516 15.490 -20.965 640 H MET 82 H MET 82 -7.256 15.014 -19.989 641 HA MET 82 HA MET 82 -7.084 12.222 -20.372 642 HB2 MET 82 2HB MET 82 -5.637 14.463 -21.183 643 HB3 MET 82 3HB MET 82 -4.494 13.526 -20.230 644 HG2 MET 82 2HG MET 82 -4.193 12.115 -21.901 645 HG3 MET 82 3HG MET 82 -5.921 11.775 -21.973 646 HE1 MET 82 1HE MET 82 -3.567 14.882 -24.344 647 HE2 MET 82 2HE MET 82 -3.150 14.149 -22.796 648 HE3 MET 82 3HE MET 82 -3.015 13.208 -24.282 649 H ALA 83 H ALA 83 -6.135 14.328 -17.758 650 HA ALA 83 HA ALA 83 -4.398 12.516 -16.434 651 HB1 ALA 83 1HB ALA 83 -4.420 14.957 -16.034 652 HB2 ALA 83 2HB ALA 83 -5.979 14.783 -15.228 653 HB3 ALA 83 3HB ALA 83 -4.545 14.011 -14.550 654 H ILE 84 H ILE 84 -7.724 13.519 -15.606 655 HA ILE 84 HA ILE 84 -8.193 11.707 -13.578 656 HB ILE 84 HB ILE 84 -9.770 13.467 -13.997 657 HG12 ILE 84 2HG1 ILE 84 -11.131 10.831 -14.581 658 HG13 ILE 84 3HG1 ILE 84 -10.597 11.338 -12.983 659 HG21 ILE 84 1HG2 ILE 84 -9.472 13.505 -16.462 660 HG22 ILE 84 2HG2 ILE 84 -10.503 12.078 -16.569 661 HG23 ILE 84 3HG2 ILE 84 -11.159 13.594 -15.953 662 HD11 ILE 84 1HD1 ILE 84 -12.868 11.832 -13.025 663 HD12 ILE 84 2HD1 ILE 84 -12.087 13.382 -13.343 664 HD13 ILE 84 3HD1 ILE 84 -12.796 12.462 -14.670 665 H VAL 85 H VAL 85 -8.596 11.268 -17.066 666 HA VAL 85 HA VAL 85 -9.798 8.729 -16.986 667 HB VAL 85 HB VAL 85 -8.058 9.973 -19.118 668 HG11 VAL 85 1HG1 VAL 85 -9.360 8.268 -20.567 669 HG12 VAL 85 2HG1 VAL 85 -7.962 7.715 -19.642 670 HG13 VAL 85 3HG1 VAL 85 -9.594 7.405 -19.048 671 HG21 VAL 85 1HG2 VAL 85 -11.014 9.625 -19.312 672 HG22 VAL 85 2HG2 VAL 85 -10.365 10.958 -18.356 673 HG23 VAL 85 3HG2 VAL 85 -9.969 10.829 -20.069 674 H THR 86 H THR 86 -6.397 9.708 -17.155 675 HA THR 86 HA THR 86 -5.244 7.197 -17.501 676 HB THR 86 HB THR 86 -4.172 9.612 -16.034 677 HG1 THR 86 HG1 THR 86 -4.635 9.643 -18.400 678 HG21 THR 86 1HG2 THR 86 -3.067 6.916 -16.386 679 HG22 THR 86 2HG2 THR 86 -2.618 8.185 -15.246 680 HG23 THR 86 3HG2 THR 86 -1.989 8.215 -16.894 681 H LEU 87 H LEU 87 -6.094 8.902 -14.505 682 HA LEU 87 HA LEU 87 -5.068 7.022 -12.703 683 HB2 LEU 87 2HB LEU 87 -7.456 8.831 -12.368 684 HB3 LEU 87 3HB LEU 87 -6.588 8.022 -11.066 685 HG LEU 87 HG LEU 87 -5.108 9.898 -12.856 686 HD11 LEU 87 1HD1 LEU 87 -6.397 10.990 -10.414 687 HD12 LEU 87 2HD1 LEU 87 -7.374 10.842 -11.874 688 HD13 LEU 87 3HD1 LEU 87 -5.898 11.806 -11.896 689 HD21 LEU 87 1HD2 LEU 87 -4.201 8.365 -10.931 690 HD22 LEU 87 2HD2 LEU 87 -4.814 9.656 -9.899 691 HD23 LEU 87 3HD2 LEU 87 -3.601 10.011 -11.129 692 H LYS 88 H LYS 88 -8.346 7.352 -14.042 693 HA LYS 88 HA LYS 88 -9.453 5.132 -12.712 694 HB2 LYS 88 2HB LYS 88 -10.223 6.515 -15.283 695 HB3 LYS 88 3HB LYS 88 -11.177 5.227 -14.559 696 HG2 LYS 88 2HG LYS 88 -11.267 6.664 -12.471 697 HG3 LYS 88 3HG LYS 88 -10.628 7.970 -13.471 698 HD2 LYS 88 2HD LYS 88 -12.851 6.633 -14.755 699 HD3 LYS 88 3HD LYS 88 -13.298 7.256 -13.164 700 HE2 LYS 88 2HE LYS 88 -12.380 9.457 -13.816 701 HE3 LYS 88 3HE LYS 88 -12.048 8.816 -15.425 702 HZ1 LYS 88 1HZ LYS 88 -14.623 8.206 -15.170 703 HZ2 LYS 88 2HZ LYS 88 -14.074 9.654 -15.851 704 HZ3 LYS 88 3HZ LYS 88 -14.572 9.614 -14.234 705 H VAL 89 H VAL 89 -8.004 5.454 -15.937 706 HA VAL 89 HA VAL 89 -8.444 2.824 -16.801 707 HB VAL 89 HB VAL 89 -6.219 4.729 -17.541 708 HG11 VAL 89 1HG1 VAL 89 -6.249 3.260 -19.666 709 HG12 VAL 89 2HG1 VAL 89 -5.402 2.668 -18.235 710 HG13 VAL 89 3HG1 VAL 89 -7.008 2.053 -18.628 711 HG21 VAL 89 1HG2 VAL 89 -8.523 4.103 -19.313 712 HG22 VAL 89 2HG2 VAL 89 -8.788 5.194 -17.953 713 HG23 VAL 89 3HG2 VAL 89 -7.574 5.583 -19.173 714 H PHE 90 H PHE 90 -5.517 4.262 -15.358 715 HA PHE 90 HA PHE 90 -4.087 1.833 -15.197 716 HB2 PHE 90 2HB PHE 90 -3.294 4.333 -14.978 717 HB3 PHE 90 3HB PHE 90 -3.589 4.064 -13.264 718 HD1 PHE 90 HD1 PHE 90 -1.783 2.613 -16.172 719 HD2 PHE 90 HD2 PHE 90 -1.943 3.112 -11.949 720 HE1 PHE 90 HE1 PHE 90 0.425 1.547 -15.966 721 HE2 PHE 90 HE2 PHE 90 0.265 2.049 -11.736 722 HZ PHE 90 HZ PHE 90 1.452 1.265 -13.745 723 H ALA 91 H ALA 91 -6.481 3.300 -13.163 724 HA ALA 91 HA ALA 91 -5.936 1.964 -10.750 725 HB1 ALA 91 1HB ALA 91 -7.417 3.646 -10.382 726 HB2 ALA 91 2HB ALA 91 -8.267 3.382 -11.906 727 HB3 ALA 91 3HB ALA 91 -8.564 2.314 -10.534 728 H VAL 92 H VAL 92 -8.207 1.151 -13.372 729 HA VAL 92 HA VAL 92 -8.817 -1.410 -12.183 730 HB VAL 92 HB VAL 92 -10.557 -0.184 -13.397 731 HG11 VAL 92 1HG1 VAL 92 -9.071 0.860 -15.073 732 HG12 VAL 92 2HG1 VAL 92 -8.913 -0.706 -15.871 733 HG13 VAL 92 3HG1 VAL 92 -10.484 0.092 -15.796 734 HG21 VAL 92 1HG2 VAL 92 -10.023 -2.604 -15.063 735 HG22 VAL 92 2HG2 VAL 92 -10.302 -2.783 -13.330 736 HG23 VAL 92 3HG2 VAL 92 -11.535 -2.042 -14.350 737 H ALA 93 H ALA 93 -6.895 -0.177 -14.864 738 HA ALA 93 HA ALA 93 -6.266 -2.709 -15.989 739 HB1 ALA 93 1HB ALA 93 -4.539 -1.502 -17.235 740 HB2 ALA 93 2HB ALA 93 -6.087 -0.657 -17.284 741 HB3 ALA 93 3HB ALA 93 -4.802 -0.083 -16.221 742 H GLY 94 H GLY 94 -5.188 -1.085 -13.193 743 HA2 GLY 94 2HA GLY 94 -2.698 -2.648 -13.101 744 HA3 GLY 94 3HA GLY 94 -3.072 -1.262 -12.088 745 H LEU 95 H LEU 95 -5.158 -1.656 -10.716 746 HA LEU 95 HA LEU 95 -4.577 -3.704 -8.895 747 HB2 LEU 95 2HB LEU 95 -6.963 -1.944 -9.326 748 HB3 LEU 95 3HB LEU 95 -6.975 -3.198 -8.088 749 HG LEU 95 HG LEU 95 -6.447 -1.079 -7.079 750 HD11 LEU 95 1HD1 LEU 95 -5.021 -2.083 -5.710 751 HD12 LEU 95 2HD1 LEU 95 -3.736 -2.012 -6.916 752 HD13 LEU 95 3HD1 LEU 95 -4.856 -3.374 -6.901 753 HD21 LEU 95 1HD2 LEU 95 -5.583 0.012 -9.123 754 HD22 LEU 95 2HD2 LEU 95 -4.098 -0.926 -8.965 755 HD23 LEU 95 3HD2 LEU 95 -4.537 0.246 -7.722 756 H LEU 96 H LEU 96 -6.802 -3.561 -11.610 757 HA LEU 96 HA LEU 96 -7.681 -6.304 -11.043 758 HB2 LEU 96 2HB LEU 96 -9.135 -4.113 -11.738 759 HB3 LEU 96 3HB LEU 96 -8.884 -4.875 -13.308 760 HG LEU 96 HG LEU 96 -9.757 -7.014 -12.054 761 HD11 LEU 96 1HD1 LEU 96 -10.799 -4.740 -10.381 762 HD12 LEU 96 2HD1 LEU 96 -9.907 -6.163 -9.845 763 HD13 LEU 96 3HD1 LEU 96 -11.558 -6.331 -10.440 764 HD21 LEU 96 1HD2 LEU 96 -10.802 -5.877 -13.986 765 HD22 LEU 96 2HD2 LEU 96 -11.627 -4.791 -12.866 766 HD23 LEU 96 3HD2 LEU 96 -11.980 -6.519 -12.842 767 H ASN 97 H ASN 97 -5.249 -4.887 -12.620 768 HA ASN 97 HA ASN 97 -3.912 -5.397 -14.394 769 HB2 ASN 97 2HB ASN 97 -5.073 -8.120 -13.777 770 HB3 ASN 97 3HB ASN 97 -3.737 -7.860 -14.894 771 HD21 ASN 97 1HD2 ASN 97 -4.489 -8.689 -11.826 772 HD22 ASN 97 2HD2 ASN 97 -3.013 -8.266 -11.034 773 H MET 98 H MET 98 -6.636 -4.515 -14.986 774 HA MET 98 HA MET 98 -7.686 -5.995 -17.165 775 HB2 MET 98 2HB MET 98 -8.404 -3.683 -15.684 776 HB3 MET 98 3HB MET 98 -8.374 -3.225 -17.381 777 HG2 MET 98 2HG MET 98 -9.777 -5.722 -16.562 778 HG3 MET 98 3HG MET 98 -10.548 -4.160 -16.295 779 HE1 MET 98 1HE MET 98 -12.521 -5.475 -18.020 780 HE2 MET 98 2HE MET 98 -11.996 -6.101 -19.583 781 HE3 MET 98 3HE MET 98 -11.333 -6.778 -18.095 782 H THR 99 H THR 99 -7.440 -5.750 -19.354 783 HA THR 99 HA THR 99 -5.195 -4.040 -20.207 784 HB THR 99 HB THR 99 -4.888 -5.613 -22.092 785 HG1 THR 99 HG1 THR 99 -6.391 -7.043 -22.471 786 HG21 THR 99 1HG2 THR 99 -4.867 -7.175 -19.522 787 HG22 THR 99 2HG2 THR 99 -3.740 -5.850 -19.820 788 HG23 THR 99 3HG2 THR 99 -3.737 -7.265 -20.873 789 H VAL 100 H VAL 100 -7.359 -2.602 -20.112 790 HA VAL 100 HA VAL 100 -9.283 -2.700 -22.085 791 HB VAL 100 HB VAL 100 -9.476 -0.251 -21.864 792 HG11 VAL 100 1HG1 VAL 100 -10.625 -0.639 -20.003 793 HG12 VAL 100 2HG1 VAL 100 -9.802 -2.194 -19.861 794 HG13 VAL 100 3HG1 VAL 100 -9.138 -0.768 -19.064 795 HG21 VAL 100 1HG2 VAL 100 -6.759 -0.569 -20.796 796 HG22 VAL 100 2HG2 VAL 100 -7.512 0.812 -21.591 797 HG23 VAL 100 3HG2 VAL 100 -7.797 0.520 -19.876 798 H SER 101 H SER 101 -9.510 -1.680 -24.121 799 HA SER 101 HA SER 101 -7.098 -1.767 -25.706 800 HB2 SER 101 2HB SER 101 -10.024 -1.498 -26.309 801 HB3 SER 101 3HB SER 101 -8.834 -1.109 -27.552 802 HG SER 101 HG SER 101 -8.614 -3.163 -27.862 803 H THR 102 H THR 102 -9.248 0.646 -24.396 804 HA THR 102 HA THR 102 -7.387 2.729 -25.245 805 HB THR 102 HB THR 102 -9.040 4.173 -26.159 806 HG1 THR 102 HG1 THR 102 -11.151 3.907 -25.839 807 HG21 THR 102 1HG2 THR 102 -8.212 2.373 -27.661 808 HG22 THR 102 2HG2 THR 102 -9.822 2.954 -28.090 809 HG23 THR 102 3HG2 THR 102 -9.636 1.419 -27.243 810 H ALA 103 H ALA 103 -7.298 4.496 -23.878 811 HA ALA 103 HA ALA 103 -7.836 4.148 -21.197 812 HB1 ALA 103 1HB ALA 103 -6.610 5.990 -21.073 813 HB2 ALA 103 2HB ALA 103 -6.745 6.186 -22.821 814 HB3 ALA 103 3HB ALA 103 -7.931 6.940 -21.756 815 H ALA 104 H ALA 104 -9.871 5.562 -23.692 816 HA ALA 104 HA ALA 104 -11.831 6.680 -22.000 817 HB1 ALA 104 1HB ALA 104 -11.536 7.191 -24.425 818 HB2 ALA 104 2HB ALA 104 -12.263 5.626 -24.790 819 HB3 ALA 104 3HB ALA 104 -13.201 6.861 -23.949 820 H ALA 105 H ALA 105 -11.584 3.504 -23.562 821 HA ALA 105 HA ALA 105 -14.078 2.498 -22.783 822 HB1 ALA 105 1HB ALA 105 -12.295 1.544 -24.416 823 HB2 ALA 105 2HB ALA 105 -11.686 0.716 -22.982 824 HB3 ALA 105 3HB ALA 105 -13.341 0.439 -23.524 825 H ALA 106 H ALA 106 -10.927 2.369 -21.159 826 HA ALA 106 HA ALA 106 -11.684 0.751 -19.000 827 HB1 ALA 106 1HB ALA 106 -9.355 1.911 -19.832 828 HB2 ALA 106 2HB ALA 106 -9.706 2.802 -18.351 829 HB3 ALA 106 3HB ALA 106 -9.575 1.044 -18.312 830 H GLU 107 H GLU 107 -11.744 4.274 -19.398 831 HA GLU 107 HA GLU 107 -12.637 4.823 -16.757 832 HB2 GLU 107 2HB GLU 107 -11.544 6.570 -17.975 833 HB3 GLU 107 3HB GLU 107 -12.693 6.446 -19.300 834 HG2 GLU 107 2HG GLU 107 -13.867 7.052 -16.678 835 HG3 GLU 107 3HG GLU 107 -12.811 8.297 -17.342 836 H ASN 108 H ASN 108 -14.268 4.273 -19.829 837 HA ASN 108 HA ASN 108 -16.844 5.077 -19.137 838 HB2 ASN 108 2HB ASN 108 -15.605 3.497 -21.234 839 HB3 ASN 108 3HB ASN 108 -17.185 2.855 -20.793 840 HD21 ASN 108 1HD2 ASN 108 -18.863 3.709 -21.777 841 HD22 ASN 108 2HD2 ASN 108 -18.914 5.256 -22.543 842 H MET 109 H MET 109 -15.311 1.889 -18.796 843 HA MET 109 HA MET 109 -17.597 0.701 -17.560 844 HB2 MET 109 2HB MET 109 -16.096 -0.741 -18.732 845 HB3 MET 109 3HB MET 109 -14.718 -0.168 -17.801 846 HG2 MET 109 2HG MET 109 -15.422 -2.393 -17.105 847 HG3 MET 109 3HG MET 109 -15.593 -1.216 -15.805 848 HE1 MET 109 1HE MET 109 -18.649 -2.977 -14.629 849 HE2 MET 109 2HE MET 109 -17.259 -3.890 -15.219 850 HE3 MET 109 3HE MET 109 -17.014 -2.383 -14.336 851 H TYR 110 H TYR 110 -14.738 2.359 -16.428 852 HA TYR 110 HA TYR 110 -14.730 1.558 -13.756 853 HB2 TYR 110 2HB TYR 110 -12.917 2.857 -14.819 854 HB3 TYR 110 3HB TYR 110 -13.971 4.265 -14.874 855 HD1 TYR 110 HD1 TYR 110 -14.600 5.426 -12.791 856 HD2 TYR 110 HD2 TYR 110 -11.836 2.191 -12.783 857 HE1 TYR 110 HE1 TYR 110 -13.852 6.079 -10.542 858 HE2 TYR 110 HE2 TYR 110 -11.081 2.835 -10.533 859 HH TYR 110 HH TYR 110 -11.087 4.583 -9.020 860 H SER 111 H SER 111 -16.375 4.310 -15.290 861 HA SER 111 HA SER 111 -17.699 5.036 -12.830 862 HB2 SER 111 2HB SER 111 -18.809 6.229 -15.244 863 HB3 SER 111 3HB SER 111 -18.054 7.008 -13.855 864 HG SER 111 HG SER 111 -16.894 6.089 -16.237 865 H GLN 112 H GLN 112 -18.450 3.262 -15.748 866 HA GLN 112 HA GLN 112 -21.246 3.191 -15.515 867 HB2 GLN 112 2HB GLN 112 -20.075 2.511 -17.552 868 HB3 GLN 112 3HB GLN 112 -19.374 1.138 -16.706 869 HG2 GLN 112 2HG GLN 112 -21.219 0.419 -18.079 870 HG3 GLN 112 3HG GLN 112 -21.615 0.209 -16.373 871 HE21 GLN 112 1HE2 GLN 112 -23.799 0.297 -16.561 872 HE22 GLN 112 2HE2 GLN 112 -24.665 1.705 -17.063 873 H MET 113 H MET 113 -18.743 1.476 -13.836 874 HA MET 113 HA MET 113 -20.537 -0.538 -12.785 875 HB2 MET 113 2HB MET 113 -18.174 -1.070 -13.266 876 HB3 MET 113 3HB MET 113 -17.674 0.093 -12.045 877 HG2 MET 113 2HG MET 113 -18.225 -1.265 -10.318 878 HG3 MET 113 3HG MET 113 -19.550 -2.027 -11.196 879 HE1 MET 113 1HE MET 113 -16.138 -3.574 -9.716 880 HE2 MET 113 2HE MET 113 -15.182 -2.870 -11.019 881 HE3 MET 113 3HE MET 113 -16.229 -1.843 -10.037 882 H GLY 114 H GLY 114 -19.419 2.601 -11.917 883 HA2 GLY 114 2HA GLY 114 -20.676 3.841 -10.266 884 HA3 GLY 114 3HA GLY 114 -20.851 2.351 -9.352 885 H LEU 115 H LEU 115 -17.797 3.184 -10.783 886 HA LEU 115 HA LEU 115 -16.655 3.430 -8.105 887 HB2 LEU 115 2HB LEU 115 -15.177 3.289 -10.722 888 HB3 LEU 115 3HB LEU 115 -14.540 2.999 -9.104 889 HG LEU 115 HG LEU 115 -16.671 1.226 -10.241 890 HD11 LEU 115 1HD1 LEU 115 -13.818 1.375 -11.023 891 HD12 LEU 115 2HD1 LEU 115 -15.224 0.850 -11.948 892 HD13 LEU 115 3HD1 LEU 115 -14.506 -0.225 -10.749 893 HD21 LEU 115 1HD2 LEU 115 -14.764 -0.166 -8.736 894 HD22 LEU 115 2HD2 LEU 115 -16.407 0.265 -8.258 895 HD23 LEU 115 3HD2 LEU 115 -15.063 1.338 -7.864 896 H ASP 116 H ASP 116 -17.333 5.302 -10.936 897 HA ASP 116 HA ASP 116 -15.920 7.598 -9.744 898 HB2 ASP 116 2HB ASP 116 -14.867 7.246 -11.808 899 HB3 ASP 116 3HB ASP 116 -16.376 6.823 -12.611 900 H THR 117 H THR 117 -17.571 8.415 -8.512 901 HA THR 117 HA THR 117 -20.159 8.928 -9.762 902 HB THR 117 HB THR 117 -19.868 9.957 -7.059 903 HG1 THR 117 HG1 THR 117 -18.982 8.283 -6.119 904 HG21 THR 117 1HG2 THR 117 -21.996 9.252 -6.917 905 HG22 THR 117 2HG2 THR 117 -21.601 7.644 -7.525 906 HG23 THR 117 3HG2 THR 117 -21.867 8.973 -8.654 907 H ARG 118 H ARG 118 -21.177 11.071 -9.426 908 HA ARG 118 HA ARG 118 -19.181 13.228 -9.658 909 HB2 ARG 118 2HB ARG 118 -21.448 12.489 -11.341 910 HB3 ARG 118 3HB ARG 118 -21.493 14.178 -10.851 911 HG2 ARG 118 2HG ARG 118 -20.024 14.659 -12.430 912 HG3 ARG 118 3HG ARG 118 -18.843 13.612 -11.639 913 HD2 ARG 118 2HD ARG 118 -19.316 11.820 -13.008 914 HD3 ARG 118 3HD ARG 118 -20.944 12.395 -13.371 915 HE ARG 118 HE ARG 118 -19.073 14.200 -14.433 916 HH11 ARG 118 1HH1 ARG 118 -20.255 10.962 -14.923 917 HH12 ARG 118 2HH1 ARG 118 -19.911 10.955 -16.621 918 HH21 ARG 118 1HH2 ARG 118 -18.617 14.202 -16.669 919 HH22 ARG 118 2HH2 ARG 118 -18.980 12.797 -17.613 920 HA PRO 119 HA PRO 119 -21.074 15.409 -6.357 921 HB2 PRO 119 2HB PRO 119 -20.967 17.983 -7.214 922 HB3 PRO 119 3HB PRO 119 -19.536 17.081 -6.703 923 HG2 PRO 119 2HG PRO 119 -20.547 17.619 -9.468 924 HG3 PRO 119 3HG PRO 119 -18.886 17.686 -8.851 925 HD2 PRO 119 2HD PRO 119 -19.833 15.576 -10.260 926 HD3 PRO 119 3HD PRO 119 -18.610 15.402 -8.984
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