NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
23690 | 2jxl | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 1.422 -0.272 -2.043 2 H1 MET 1 H MET 1 1.808 0.000 0.855 3 HB2 MET 1 1HB MET 1 3.300 1.343 -2.386 4 HB3 MET 1 2HB MET 1 1.840 2.067 -1.724 5 HG2 MET 1 1HG MET 1 2.784 2.275 0.415 6 HG3 MET 1 2HG MET 1 4.114 1.189 0.020 7 HE1 MET 1 3HE MET 1 3.939 5.319 0.417 8 HE2 MET 1 1HE MET 1 3.197 5.357 -1.183 9 HE3 MET 1 2HE MET 1 2.509 4.341 0.085 10 H ASP 2 H ASP 2 3.560 -0.809 -3.143 11 HA ASP 2 HA ASP 2 5.381 -2.316 -1.422 12 HB2 ASP 2 1HB ASP 2 3.493 -3.473 -3.366 13 HB3 ASP 2 2HB ASP 2 5.152 -4.046 -3.519 14 H ASP 3 H ASP 3 7.343 -1.597 -1.879 15 HA ASP 3 HA ASP 3 7.956 -0.204 -4.290 16 HB2 ASP 3 1HB ASP 3 10.280 -0.169 -3.383 17 HB3 ASP 3 2HB ASP 3 9.075 0.428 -2.245 18 H ILE 4 H ILE 4 8.204 -3.495 -3.251 19 HA ILE 4 HA ILE 4 10.191 -4.359 -5.078 20 HB ILE 4 HB ILE 4 9.628 -5.708 -3.140 21 HG12 ILE 4 1HG1 ILE 4 8.658 -7.532 -5.243 22 HG13 ILE 4 2HG1 ILE 4 10.128 -6.653 -5.649 23 HG21 ILE 4 1HG2 ILE 4 6.940 -6.086 -4.453 24 HG22 ILE 4 2HG2 ILE 4 7.503 -6.926 -3.009 25 HG23 ILE 4 3HG2 ILE 4 7.262 -5.180 -2.975 26 HD11 ILE 4 3HD1 ILE 4 10.672 -7.517 -3.126 27 HD12 ILE 4 1HD1 ILE 4 9.702 -8.842 -3.768 28 HD13 ILE 4 2HD1 ILE 4 11.165 -8.330 -4.611 29 H TYR 5 H TYR 5 6.718 -3.953 -5.296 30 HA TYR 5 HA TYR 5 6.545 -5.294 -7.853 31 HD1 TYR 5 HD2 TYR 5 5.661 -7.049 -7.484 32 HD2 TYR 5 HD1 TYR 5 3.218 -4.939 -4.712 33 HE1 TYR 5 HE2 TYR 5 5.164 -9.160 -6.324 34 HE2 TYR 5 HE1 TYR 5 2.715 -7.044 -3.544 35 HH TYR 5 HH TYR 5 4.445 -9.789 -3.876 36 HB2 TYR 5 1HB TYR 5 4.522 -3.737 -6.236 37 HB3 TYR 5 2HB TYR 5 4.161 -4.502 -7.780 38 H LYS 6 H LYS 6 6.418 -1.979 -6.626 39 HA LYS 6 HA LYS 6 5.887 -0.743 -9.115 40 HB2 LYS 6 1HB LYS 6 6.188 1.287 -8.016 41 HB3 LYS 6 2HB LYS 6 5.689 0.214 -6.715 42 HG2 LYS 6 1HG LYS 6 7.449 1.168 -5.678 43 HG3 LYS 6 2HG LYS 6 8.334 -0.102 -6.528 44 HD2 LYS 6 1HD LYS 6 9.331 1.358 -7.937 45 HD3 LYS 6 2HD LYS 6 7.905 2.394 -8.040 46 HE2 LYS 6 1HE LYS 6 9.724 2.255 -5.641 47 HE3 LYS 6 2HE LYS 6 9.885 3.446 -6.931 48 HZ1 LYS 6 3HZ LYS 6 7.487 4.026 -6.420 49 HZ2 LYS 6 1HZ LYS 6 8.641 4.495 -5.274 50 HZ3 LYS 6 2HZ LYS 6 7.673 3.137 -4.993 51 H ALA 7 H ALA 7 8.773 -1.962 -7.647 52 HA ALA 7 HA ALA 7 10.663 -0.459 -9.133 53 HB1 ALA 7 1HB ALA 7 11.709 -1.410 -7.360 54 HB2 ALA 7 2HB ALA 7 10.729 -2.875 -7.425 55 HB3 ALA 7 3HB ALA 7 12.063 -2.656 -8.558 56 H ALA 8 H ALA 8 9.058 -3.558 -9.680 57 HA ALA 8 HA ALA 8 10.530 -4.090 -12.100 58 HB1 ALA 8 1HB ALA 8 9.954 -6.094 -11.215 59 HB2 ALA 8 2HB ALA 8 8.456 -5.480 -10.514 60 HB3 ALA 8 3HB ALA 8 8.534 -5.857 -12.235 61 H VAL 9 H VAL 9 7.360 -2.831 -11.231 62 HA VAL 9 HA VAL 9 6.315 -2.819 -13.883 63 HB VAL 9 HB VAL 9 5.084 -2.633 -11.563 64 HG11 VAL 9 1HG1 VAL 9 6.250 -0.457 -11.057 65 HG12 VAL 9 2HG1 VAL 9 5.252 0.278 -12.313 66 HG13 VAL 9 3HG1 VAL 9 4.494 -0.437 -10.890 67 HG21 VAL 9 3HG2 VAL 9 3.970 -2.870 -13.712 68 HG22 VAL 9 1HG2 VAL 9 3.138 -1.675 -12.717 69 HG23 VAL 9 2HG2 VAL 9 4.187 -1.150 -14.034 70 H GLU 10 H GLU 10 8.227 -0.601 -11.988 71 HA GLU 10 HA GLU 10 7.795 1.688 -13.634 72 HB2 GLU 10 1HB GLU 10 9.697 0.963 -11.447 73 HB3 GLU 10 2HB GLU 10 10.066 2.353 -12.457 74 HG2 GLU 10 1HG GLU 10 7.330 2.463 -11.620 75 HG3 GLU 10 2HG GLU 10 8.382 2.245 -10.222 76 H GLN 11 H GLN 11 9.996 -1.013 -13.701 77 HA GLN 11 HA GLN 11 11.687 0.210 -15.719 78 HB2 GLN 11 1HB GLN 11 12.936 -1.920 -15.628 79 HB3 GLN 11 2HB GLN 11 12.761 -1.174 -14.045 80 HG2 GLN 11 1HG GLN 11 11.000 -2.716 -13.466 81 HG3 GLN 11 2HG GLN 11 11.045 -3.417 -15.083 82 HE21 GLN 11 2HE2 GLN 11 11.684 -5.442 -14.675 83 HE22 GLN 11 1HE2 GLN 11 13.159 -5.872 -13.885 84 H LEU 12 H LEU 12 8.717 -0.814 -15.942 85 HA LEU 12 HA LEU 12 8.797 -2.804 -17.977 86 HG LEU 12 HG LEU 12 7.125 -3.018 -15.624 87 HB2 LEU 12 1HB LEU 12 6.683 -0.960 -16.927 88 HB3 LEU 12 2HB LEU 12 6.387 -1.956 -18.350 89 HD11 LEU 12 1HD1 LEU 12 4.887 -1.922 -15.741 90 HD12 LEU 12 2HD1 LEU 12 4.836 -3.646 -15.372 91 HD13 LEU 12 3HD1 LEU 12 4.445 -3.080 -16.996 92 HD21 LEU 12 3HD2 LEU 12 7.835 -4.471 -17.441 93 HD22 LEU 12 1HD2 LEU 12 6.218 -4.407 -18.144 94 HD23 LEU 12 2HD2 LEU 12 6.468 -5.179 -16.578 95 H THR 13 H THR 13 7.441 -2.208 -20.085 96 HA THR 13 HA THR 13 9.016 -0.143 -21.417 97 HB THR 13 HB THR 13 8.973 -2.266 -22.553 98 HG1 THR 13 HG1 THR 13 8.968 -0.663 -24.049 99 HG21 THR 13 3HG2 THR 13 6.269 -2.442 -23.430 100 HG22 THR 13 1HG2 THR 13 6.276 -2.344 -21.670 101 HG23 THR 13 2HG2 THR 13 7.197 -3.607 -22.487 102 H GLU 14 H GLU 14 8.005 1.379 -22.876 103 HA GLU 14 HA GLU 14 5.965 2.866 -21.735 104 HB2 GLU 14 1HB GLU 14 6.820 2.760 -24.633 105 HB3 GLU 14 2HB GLU 14 5.806 4.014 -23.932 106 HG2 GLU 14 1HG GLU 14 7.591 4.744 -22.508 107 HG3 GLU 14 2HG GLU 14 8.605 3.397 -23.022 108 H GLU 15 H GLU 15 5.798 0.283 -24.117 109 HA GLU 15 HA GLU 15 3.091 0.620 -24.836 110 HB2 GLU 15 1HB GLU 15 4.984 -1.715 -24.959 111 HB3 GLU 15 2HB GLU 15 3.305 -1.873 -25.455 112 HG2 GLU 15 1HG GLU 15 4.281 -1.402 -27.456 113 HG3 GLU 15 2HG GLU 15 3.865 0.225 -26.921 114 H GLN 16 H GLN 16 4.669 -1.204 -22.267 115 HA GLN 16 HA GLN 16 2.441 -2.666 -21.390 116 HB2 GLN 16 1HB GLN 16 5.037 -1.840 -20.183 117 HB3 GLN 16 2HB GLN 16 3.788 -2.456 -19.109 118 HG2 GLN 16 1HG GLN 16 4.385 -4.030 -21.544 119 HG3 GLN 16 2HG GLN 16 5.591 -4.024 -20.258 120 HE21 GLN 16 2HE2 GLN 16 2.529 -5.156 -21.287 121 HE22 GLN 16 1HE2 GLN 16 2.171 -6.127 -19.904 122 H LYS 17 H LYS 17 3.828 0.298 -19.965 123 HA LYS 17 HA LYS 17 1.824 0.797 -18.118 124 HB2 LYS 17 1HB LYS 17 3.428 2.862 -19.637 125 HB3 LYS 17 2HB LYS 17 2.604 3.111 -18.103 126 HG2 LYS 17 1HG LYS 17 4.838 1.136 -18.511 127 HG3 LYS 17 2HG LYS 17 5.062 2.783 -17.918 128 HD2 LYS 17 1HD LYS 17 3.066 1.045 -16.554 129 HD3 LYS 17 2HD LYS 17 4.781 0.745 -16.260 130 HE2 LYS 17 1HE LYS 17 3.425 3.418 -15.929 131 HE3 LYS 17 2HE LYS 17 3.734 2.285 -14.614 132 HZ1 LYS 17 3HZ LYS 17 6.154 2.550 -15.826 133 HZ2 LYS 17 1HZ LYS 17 5.671 3.331 -14.405 134 HZ3 LYS 17 2HZ LYS 17 5.523 4.118 -15.895 135 H ASN 18 H ASN 18 1.994 1.667 -21.531 136 HA ASN 18 HA ASN 18 -0.304 3.320 -21.562 137 HB2 ASN 18 1HB ASN 18 1.384 1.970 -23.614 138 HB3 ASN 18 2HB ASN 18 -0.213 2.527 -24.106 139 HD21 ASN 18 2HD2 ASN 18 2.683 3.392 -24.582 140 HD22 ASN 18 1HD2 ASN 18 2.635 5.102 -24.339 141 H GLU 19 H GLU 19 0.188 -0.134 -21.900 142 HA GLU 19 HA GLU 19 -2.400 -0.757 -22.879 143 HB2 GLU 19 1HB GLU 19 -0.199 -2.336 -21.595 144 HB3 GLU 19 2HB GLU 19 -1.774 -3.074 -21.847 145 HG2 GLU 19 1HG GLU 19 -0.279 -1.748 -24.080 146 HG3 GLU 19 2HG GLU 19 0.009 -3.429 -23.631 147 H PHE 20 H PHE 20 -0.979 -0.869 -19.621 148 HA PHE 20 HA PHE 20 -3.245 -1.786 -18.267 149 HD1 PHE 20 HD2 PHE 20 -2.219 -3.439 -17.767 150 HD2 PHE 20 HD1 PHE 20 0.983 -0.902 -16.575 151 HE1 PHE 20 HE2 PHE 20 -0.696 -5.371 -17.759 152 HE2 PHE 20 HE1 PHE 20 2.512 -2.830 -16.565 153 HZ PHE 20 HZ PHE 20 1.673 -5.069 -17.157 154 HB2 PHE 20 1HB PHE 20 -1.053 0.033 -17.248 155 HB3 PHE 20 2HB PHE 20 -2.190 -0.858 -16.241 156 H LYS 21 H LYS 21 -2.189 1.508 -19.016 157 HA LYS 21 HA LYS 21 -4.244 2.837 -17.609 158 HB2 LYS 21 1HB LYS 21 -2.015 3.732 -18.661 159 HB3 LYS 21 2HB LYS 21 -3.014 3.992 -20.085 160 HG2 LYS 21 1HG LYS 21 -4.519 5.402 -18.768 161 HG3 LYS 21 2HG LYS 21 -3.502 5.150 -17.348 162 HD2 LYS 21 1HD LYS 21 -1.634 6.228 -18.463 163 HD3 LYS 21 2HD LYS 21 -2.592 6.413 -19.934 164 HE2 LYS 21 1HE LYS 21 -3.200 7.668 -17.259 165 HE3 LYS 21 2HE LYS 21 -2.491 8.494 -18.645 166 HZ1 LYS 21 3HZ LYS 21 -4.733 7.389 -19.677 167 HZ2 LYS 21 1HZ LYS 21 -4.589 8.993 -19.157 168 HZ3 LYS 21 2HZ LYS 21 -5.237 7.823 -18.122 169 H ALA 22 H ALA 22 -4.121 1.313 -20.725 170 HA ALA 22 HA ALA 22 -6.518 2.574 -21.714 171 HB1 ALA 22 1HB ALA 22 -4.489 1.570 -23.038 172 HB2 ALA 22 2HB ALA 22 -5.422 0.078 -22.915 173 HB3 ALA 22 3HB ALA 22 -6.123 1.494 -23.698 174 H ALA 23 H ALA 23 -5.681 -0.807 -20.925 175 HA ALA 23 HA ALA 23 -8.232 -1.873 -21.063 176 HB1 ALA 23 1HB ALA 23 -5.678 -2.667 -19.900 177 HB2 ALA 23 2HB ALA 23 -7.074 -3.339 -19.057 178 HB3 ALA 23 3HB ALA 23 -6.868 -3.621 -20.785 179 H PHE 24 H PHE 24 -6.679 -0.126 -18.441 180 HA PHE 24 HA PHE 24 -8.607 -0.703 -16.449 181 HD1 PHE 24 HD2 PHE 24 -8.055 3.374 -15.946 182 HD2 PHE 24 HD1 PHE 24 -7.515 -0.170 -13.650 183 HE1 PHE 24 HE2 PHE 24 -8.991 4.512 -13.976 184 HE2 PHE 24 HE1 PHE 24 -8.451 0.963 -11.677 185 HZ PHE 24 HZ PHE 24 -9.190 3.307 -11.837 186 HB2 PHE 24 1HB PHE 24 -6.437 0.100 -15.788 187 HB3 PHE 24 2HB PHE 24 -6.638 1.571 -16.733 188 H ASP 25 H ASP 25 -8.248 1.951 -18.760 189 HA ASP 25 HA ASP 25 -10.426 3.488 -17.817 190 HB2 ASP 25 1HB ASP 25 -8.489 4.144 -19.425 191 HB3 ASP 25 2HB ASP 25 -9.541 3.507 -20.687 192 H ILE 26 H ILE 26 -10.175 0.801 -20.037 193 HA ILE 26 HA ILE 26 -12.769 1.074 -21.179 194 HB ILE 26 HB ILE 26 -10.955 -1.334 -21.005 195 HG12 ILE 26 1HG1 ILE 26 -11.489 0.638 -23.237 196 HG13 ILE 26 2HG1 ILE 26 -10.011 0.522 -22.289 197 HG21 ILE 26 1HG2 ILE 26 -12.354 -2.270 -22.805 198 HG22 ILE 26 2HG2 ILE 26 -13.243 -2.057 -21.298 199 HG23 ILE 26 3HG2 ILE 26 -13.465 -0.912 -22.621 200 HD11 ILE 26 3HD1 ILE 26 -9.221 -0.846 -23.832 201 HD12 ILE 26 1HD1 ILE 26 -10.428 -2.031 -23.334 202 HD13 ILE 26 2HD1 ILE 26 -10.783 -0.909 -24.647 203 H PHE 27 H PHE 27 -11.511 -0.438 -18.302 204 HA PHE 27 HA PHE 27 -13.873 -1.996 -17.785 205 HD1 PHE 27 HD1 PHE 27 -11.371 -2.754 -18.856 206 HD2 PHE 27 HD2 PHE 27 -12.288 -4.322 -15.007 207 HE1 PHE 27 HE1 PHE 27 -10.770 -5.009 -19.636 208 HE2 PHE 27 HE2 PHE 27 -11.687 -6.579 -15.780 209 HZ PHE 27 HZ PHE 27 -10.926 -6.925 -18.097 210 HB2 PHE 27 1HB PHE 27 -11.327 -1.435 -16.319 211 HB3 PHE 27 2HB PHE 27 -12.693 -2.102 -15.432 212 H VAL 28 H VAL 28 -12.570 1.103 -16.752 213 HA VAL 28 HA VAL 28 -14.704 1.539 -14.844 214 HB VAL 28 HB VAL 28 -13.675 3.699 -14.431 215 HG11 VAL 28 1HG1 VAL 28 -11.155 2.551 -14.312 216 HG12 VAL 28 2HG1 VAL 28 -12.405 2.475 -13.069 217 HG13 VAL 28 3HG1 VAL 28 -12.259 1.178 -14.255 218 HG21 VAL 28 3HG2 VAL 28 -12.967 4.551 -16.460 219 HG22 VAL 28 1HG2 VAL 28 -11.439 4.096 -15.705 220 HG23 VAL 28 2HG2 VAL 28 -12.163 3.052 -16.928 221 H LEU 29 H LEU 29 -14.719 1.515 -18.060 222 HA LEU 29 HA LEU 29 -15.737 3.959 -18.914 223 HG LEU 29 HG LEU 29 -14.123 2.723 -20.765 224 HB2 LEU 29 1HB LEU 29 -15.801 1.177 -19.874 225 HB3 LEU 29 2HB LEU 29 -17.086 2.217 -20.486 226 HD11 LEU 29 1HD1 LEU 29 -14.647 2.359 -23.196 227 HD12 LEU 29 2HD1 LEU 29 -16.204 1.708 -22.686 228 HD13 LEU 29 3HD1 LEU 29 -14.711 0.916 -22.183 229 HD21 LEU 29 3HD2 LEU 29 -15.220 4.380 -22.520 230 HD22 LEU 29 1HD2 LEU 29 -14.935 4.848 -20.844 231 HD23 LEU 29 2HD2 LEU 29 -16.544 4.336 -21.355 232 H GLY 30 H GLY 30 -17.193 1.493 -16.989 233 HA2 GLY 30 1HA GLY 30 -19.898 2.466 -17.457 234 HA3 GLY 30 2HA GLY 30 -19.437 1.121 -16.424 235 H ALA 31 H ALA 31 -17.358 2.804 -15.102 236 HA ALA 31 HA ALA 31 -19.008 3.796 -12.994 237 HB1 ALA 31 1HB ALA 31 -16.923 2.831 -12.392 238 HB2 ALA 31 2HB ALA 31 -16.038 3.914 -13.467 239 HB3 ALA 31 3HB ALA 31 -16.820 4.553 -12.022 240 H GLU 32 H GLU 32 -18.571 6.034 -12.063 241 HA GLU 32 HA GLU 32 -18.741 7.987 -14.256 242 HB2 GLU 32 1HB GLU 32 -19.807 8.113 -11.430 243 HB3 GLU 32 2HB GLU 32 -19.907 9.431 -12.590 244 HG2 GLU 32 1HG GLU 32 -21.238 7.993 -14.076 245 HG3 GLU 32 2HG GLU 32 -21.182 6.718 -12.859 246 H ASP 33 H ASP 33 -17.121 7.214 -11.258 247 HA ASP 33 HA ASP 33 -15.614 9.708 -11.297 248 HB2 ASP 33 1HB ASP 33 -15.701 7.389 -9.366 249 HB3 ASP 33 2HB ASP 33 -14.556 8.719 -9.209 250 H GLY 34 H GLY 34 -15.197 6.292 -11.953 251 HA2 GLY 34 1HA GLY 34 -13.548 5.689 -13.646 252 HA3 GLY 34 2HA GLY 34 -12.484 6.901 -12.948 253 H CYS 35 H CYS 35 -14.358 4.141 -11.682 254 HA CYS 35 HA CYS 35 -11.879 2.946 -10.710 255 HG CYS 35 HG CYS 35 -11.369 4.600 -7.732 256 HB2 CYS 35 1HB CYS 35 -14.240 3.534 -8.912 257 HB3 CYS 35 2HB CYS 35 -12.817 2.606 -8.455 258 H ILE 36 H ILE 36 -12.479 0.766 -9.570 259 HA ILE 36 HA ILE 36 -14.660 -0.526 -11.067 260 HB ILE 36 HB ILE 36 -11.912 -1.690 -10.599 261 HG12 ILE 36 1HG1 ILE 36 -12.847 -1.514 -13.348 262 HG13 ILE 36 2HG1 ILE 36 -12.765 0.070 -12.584 263 HG21 ILE 36 1HG2 ILE 36 -12.883 -3.461 -12.206 264 HG22 ILE 36 2HG2 ILE 36 -13.343 -3.515 -10.505 265 HG23 ILE 36 3HG2 ILE 36 -14.451 -2.834 -11.696 266 HD11 ILE 36 3HD1 ILE 36 -10.645 -1.627 -13.548 267 HD12 ILE 36 1HD1 ILE 36 -10.613 0.078 -13.097 268 HD13 ILE 36 2HD1 ILE 36 -10.392 -1.165 -11.865 269 H SER 37 H SER 37 -16.107 -1.224 -9.649 270 HA SER 37 HA SER 37 -15.307 -1.900 -6.936 271 HG SER 37 HG SER 37 -19.145 -1.528 -8.230 272 HB2 SER 37 1HB SER 37 -17.635 -1.862 -6.393 273 HB3 SER 37 2HB SER 37 -17.349 -0.496 -7.472 274 H THR 38 H THR 38 -15.761 -3.895 -5.938 275 HA THR 38 HA THR 38 -15.125 -6.175 -7.382 276 HB THR 38 HB THR 38 -14.824 -6.266 -5.036 277 HG1 THR 38 HG1 THR 38 -16.319 -8.093 -4.491 278 HG21 THR 38 3HG2 THR 38 -17.369 -6.393 -3.880 279 HG22 THR 38 1HG2 THR 38 -17.422 -5.012 -4.974 280 HG23 THR 38 2HG2 THR 38 -16.188 -5.093 -3.717 281 H LYS 39 H LYS 39 -18.188 -4.621 -6.938 282 HA LYS 39 HA LYS 39 -19.893 -6.790 -7.510 283 HB2 LYS 39 1HB LYS 39 -20.145 -3.819 -7.572 284 HB3 LYS 39 2HB LYS 39 -21.385 -4.773 -8.376 285 HG2 LYS 39 1HG LYS 39 -22.106 -4.280 -6.149 286 HG3 LYS 39 2HG LYS 39 -21.745 -6.005 -6.258 287 HD2 LYS 39 1HD LYS 39 -19.731 -5.764 -5.064 288 HD3 LYS 39 2HD LYS 39 -19.725 -4.011 -5.269 289 HE2 LYS 39 1HE LYS 39 -20.440 -4.193 -3.094 290 HE3 LYS 39 2HE LYS 39 -21.981 -4.155 -3.949 291 HZ1 LYS 39 3HZ LYS 39 -20.924 -6.187 -2.299 292 HZ2 LYS 39 1HZ LYS 39 -21.193 -6.809 -3.849 293 HZ3 LYS 39 2HZ LYS 39 -22.460 -6.081 -2.999 294 H GLU 40 H GLU 40 -18.637 -4.213 -9.628 295 HA GLU 40 HA GLU 40 -19.691 -5.465 -11.990 296 HB2 GLU 40 1HB GLU 40 -17.615 -3.282 -11.903 297 HB3 GLU 40 2HB GLU 40 -18.752 -3.643 -13.194 298 HG2 GLU 40 1HG GLU 40 -19.514 -2.630 -10.465 299 HG3 GLU 40 2HG GLU 40 -19.344 -1.630 -11.907 300 H LEU 41 H LEU 41 -16.547 -5.225 -10.417 301 HA LEU 41 HA LEU 41 -14.897 -6.227 -12.391 302 HG LEU 41 HG LEU 41 -13.151 -8.210 -10.256 303 HB2 LEU 41 1HB LEU 41 -14.077 -5.356 -10.273 304 HB3 LEU 41 2HB LEU 41 -14.773 -6.734 -9.422 305 HD11 LEU 41 1HD1 LEU 41 -12.847 -7.942 -12.482 306 HD12 LEU 41 2HD1 LEU 41 -11.410 -7.080 -11.934 307 HD13 LEU 41 3HD1 LEU 41 -12.858 -6.181 -12.387 308 HD21 LEU 41 3HD2 LEU 41 -11.930 -5.542 -9.591 309 HD22 LEU 41 1HD2 LEU 41 -10.971 -7.007 -9.800 310 HD23 LEU 41 2HD2 LEU 41 -12.187 -6.924 -8.525 311 H GLY 42 H GLY 42 -17.156 -7.920 -10.322 312 HA2 GLY 42 1HA GLY 42 -16.197 -10.547 -10.877 313 HA3 GLY 42 2HA GLY 42 -17.765 -10.137 -10.196 314 H LYS 43 H LYS 43 -18.474 -8.407 -12.458 315 HA LYS 43 HA LYS 43 -19.685 -10.389 -14.100 316 HB2 LYS 43 1HB LYS 43 -19.779 -7.478 -13.816 317 HB3 LYS 43 2HB LYS 43 -19.952 -8.015 -15.482 318 HG2 LYS 43 1HG LYS 43 -21.705 -9.660 -14.480 319 HG3 LYS 43 2HG LYS 43 -21.724 -8.515 -13.136 320 HD2 LYS 43 1HD LYS 43 -23.030 -7.138 -14.293 321 HD3 LYS 43 2HD LYS 43 -21.843 -7.068 -15.597 322 HE2 LYS 43 1HE LYS 43 -22.815 -9.305 -16.360 323 HE3 LYS 43 2HE LYS 43 -24.152 -8.961 -15.263 324 HZ1 LYS 43 3HZ LYS 43 -24.519 -8.258 -17.606 325 HZ2 LYS 43 1HZ LYS 43 -23.286 -7.114 -17.416 326 HZ3 LYS 43 2HZ LYS 43 -24.689 -7.010 -16.477 327 H VAL 44 H VAL 44 -17.027 -8.097 -14.588 328 HA VAL 44 HA VAL 44 -16.546 -8.668 -17.296 329 HB VAL 44 HB VAL 44 -14.466 -7.839 -15.272 330 HG11 VAL 44 1HG1 VAL 44 -13.171 -8.046 -17.093 331 HG12 VAL 44 2HG1 VAL 44 -14.551 -8.073 -18.193 332 HG13 VAL 44 3HG1 VAL 44 -13.924 -6.534 -17.600 333 HG21 VAL 44 3HG2 VAL 44 -15.168 -5.512 -16.342 334 HG22 VAL 44 1HG2 VAL 44 -16.716 -6.343 -16.500 335 HG23 VAL 44 2HG2 VAL 44 -15.969 -6.163 -14.912 336 H MET 45 H MET 45 -15.667 -10.342 -14.376 337 HA MET 45 HA MET 45 -13.502 -11.853 -15.184 338 HB2 MET 45 1HB MET 45 -15.814 -12.635 -13.404 339 HB3 MET 45 2HB MET 45 -14.338 -13.576 -13.566 340 HG2 MET 45 1HG MET 45 -13.920 -10.751 -12.916 341 HG3 MET 45 2HG MET 45 -14.775 -11.677 -11.684 342 HE1 MET 45 3HE MET 45 -12.170 -13.564 -14.023 343 HE2 MET 45 1HE MET 45 -11.796 -11.845 -14.145 344 HE3 MET 45 2HE MET 45 -10.666 -12.937 -13.346 345 H ARG 46 H ARG 46 -16.855 -12.154 -16.076 346 HA ARG 46 HA ARG 46 -16.868 -14.781 -17.040 347 HE ARG 46 HE ARG 46 -19.053 -9.632 -18.558 348 HB2 ARG 46 1HB ARG 46 -18.874 -14.224 -18.169 349 HB3 ARG 46 2HB ARG 46 -18.855 -13.239 -16.712 350 HG2 ARG 46 1HG ARG 46 -17.801 -11.436 -18.246 351 HG3 ARG 46 2HG ARG 46 -18.465 -12.417 -19.555 352 HD2 ARG 46 1HD ARG 46 -20.642 -11.997 -18.946 353 HD3 ARG 46 2HD ARG 46 -20.222 -11.689 -17.262 354 HH11 ARG 46 1HH1 ARG 46 -22.276 -10.947 -18.609 355 HH12 ARG 46 2HH1 ARG 46 -23.031 -9.427 -18.960 356 HH21 ARG 46 1HH2 ARG 46 -20.035 -7.626 -19.020 357 HH22 ARG 46 2HH2 ARG 46 -21.755 -7.539 -19.194 358 H MET 47 H MET 47 -15.710 -11.800 -18.462 359 HA MET 47 HA MET 47 -15.467 -12.706 -21.125 360 HB2 MET 47 1HB MET 47 -14.047 -10.531 -19.590 361 HB3 MET 47 2HB MET 47 -13.769 -10.827 -21.302 362 HG2 MET 47 1HG MET 47 -16.478 -10.665 -21.222 363 HG3 MET 47 2HG MET 47 -16.020 -9.537 -19.949 364 HE1 MET 47 3HE MET 47 -17.020 -7.847 -23.438 365 HE2 MET 47 1HE MET 47 -17.679 -8.820 -22.123 366 HE3 MET 47 2HE MET 47 -17.051 -7.206 -21.794 367 H LEU 48 H LEU 48 -13.298 -12.830 -18.347 368 HA LEU 48 HA LEU 48 -11.046 -13.807 -19.783 369 HG LEU 48 HG LEU 48 -9.234 -12.767 -18.269 370 HB2 LEU 48 1HB LEU 48 -11.808 -13.558 -16.917 371 HB3 LEU 48 2HB LEU 48 -10.462 -14.614 -17.339 372 HD11 LEU 48 1HD1 LEU 48 -11.120 -11.548 -19.237 373 HD12 LEU 48 2HD1 LEU 48 -10.097 -10.494 -18.261 374 HD13 LEU 48 3HD1 LEU 48 -11.638 -11.067 -17.622 375 HD21 LEU 48 3HD2 LEU 48 -8.708 -11.633 -16.295 376 HD22 LEU 48 1HD2 LEU 48 -9.355 -13.178 -15.743 377 HD23 LEU 48 2HD2 LEU 48 -10.362 -11.731 -15.688 378 H GLY 49 H GLY 49 -13.891 -15.275 -18.485 379 HA2 GLY 49 1HA GLY 49 -14.516 -17.448 -19.378 380 HA3 GLY 49 2HA GLY 49 -12.825 -17.912 -19.271 381 H GLN 50 H GLN 50 -13.370 -16.193 -16.556 382 HA GLN 50 HA GLN 50 -14.036 -18.618 -15.025 383 HB2 GLN 50 1HB GLN 50 -12.274 -16.264 -14.376 384 HB3 GLN 50 2HB GLN 50 -12.859 -17.357 -13.129 385 HG2 GLN 50 1HG GLN 50 -11.754 -19.223 -14.197 386 HG3 GLN 50 2HG GLN 50 -11.234 -18.184 -15.523 387 HE21 GLN 50 2HE2 GLN 50 -11.255 -17.647 -12.026 388 HE22 GLN 50 1HE2 GLN 50 -9.556 -17.370 -11.882 389 H ASN 51 H ASN 51 -15.307 -18.374 -13.101 390 HA ASN 51 HA ASN 51 -16.847 -15.890 -12.899 391 HB2 ASN 51 1HB ASN 51 -18.940 -17.283 -12.632 392 HB3 ASN 51 2HB ASN 51 -18.271 -17.241 -14.261 393 HD21 ASN 51 2HD2 ASN 51 -19.645 -19.181 -14.441 394 HD22 ASN 51 1HD2 ASN 51 -18.961 -20.704 -13.996 395 HA PRO 52 HA PRO 52 -15.437 -17.630 -8.804 396 HB2 PRO 52 1HB PRO 52 -14.283 -15.331 -7.938 397 HB3 PRO 52 2HB PRO 52 -13.420 -16.534 -8.903 398 HG2 PRO 52 1HG PRO 52 -14.705 -13.975 -9.774 399 HG3 PRO 52 2HG PRO 52 -13.139 -14.659 -10.248 400 HD2 PRO 52 1HD PRO 52 -15.344 -14.846 -11.810 401 HD3 PRO 52 2HD PRO 52 -14.089 -16.102 -11.773 402 H THR 53 H THR 53 -16.298 -17.159 -6.754 403 HA THR 53 HA THR 53 -18.876 -16.122 -6.675 404 HB THR 53 HB THR 53 -18.154 -15.860 -4.080 405 HG1 THR 53 HG1 THR 53 -16.638 -17.764 -3.864 406 HG21 THR 53 3HG2 THR 53 -19.062 -18.016 -3.737 407 HG22 THR 53 1HG2 THR 53 -18.538 -18.574 -5.325 408 HG23 THR 53 2HG2 THR 53 -19.846 -17.399 -5.191 409 HA PRO 54 HA PRO 54 -18.549 -11.766 -6.261 410 HB2 PRO 54 1HB PRO 54 -20.488 -11.212 -4.443 411 HB3 PRO 54 2HB PRO 54 -20.841 -11.707 -6.102 412 HG2 PRO 54 1HG PRO 54 -20.840 -13.345 -3.596 413 HG3 PRO 54 2HG PRO 54 -22.004 -13.347 -4.934 414 HD2 PRO 54 1HD PRO 54 -20.072 -15.227 -4.682 415 HD3 PRO 54 2HD PRO 54 -20.669 -14.677 -6.261 416 H GLU 55 H GLU 55 -18.966 -13.308 -3.068 417 HA GLU 55 HA GLU 55 -17.731 -11.244 -1.600 418 HB2 GLU 55 1HB GLU 55 -18.244 -14.151 -1.002 419 HB3 GLU 55 2HB GLU 55 -17.451 -13.089 0.153 420 HG2 GLU 55 1HG GLU 55 -19.472 -11.580 -0.058 421 HG3 GLU 55 2HG GLU 55 -20.250 -12.912 -0.911 422 H GLU 56 H GLU 56 -16.469 -14.025 -3.294 423 HA GLU 56 HA GLU 56 -13.901 -14.071 -2.111 424 HB2 GLU 56 1HB GLU 56 -15.198 -15.270 -4.474 425 HB3 GLU 56 2HB GLU 56 -13.456 -15.072 -4.598 426 HG2 GLU 56 1HG GLU 56 -13.334 -16.231 -2.332 427 HG3 GLU 56 2HG GLU 56 -15.015 -16.684 -2.612 428 H LEU 57 H LEU 57 -15.295 -12.232 -4.742 429 HA LEU 57 HA LEU 57 -12.975 -11.296 -5.971 430 HG LEU 57 HG LEU 57 -15.347 -12.089 -7.168 431 HB2 LEU 57 1HB LEU 57 -15.682 -10.035 -5.615 432 HB3 LEU 57 2HB LEU 57 -14.407 -9.305 -6.588 433 HD11 LEU 57 1HD1 LEU 57 -16.579 -9.680 -8.456 434 HD12 LEU 57 2HD1 LEU 57 -17.283 -10.416 -7.016 435 HD13 LEU 57 3HD1 LEU 57 -17.117 -11.360 -8.496 436 HD21 LEU 57 3HD2 LEU 57 -14.180 -11.869 -9.079 437 HD22 LEU 57 1HD2 LEU 57 -13.328 -10.606 -8.190 438 HD23 LEU 57 2HD2 LEU 57 -14.640 -10.179 -9.289 439 H GLN 58 H GLN 58 -14.907 -9.709 -3.427 440 HA GLN 58 HA GLN 58 -13.227 -7.524 -3.021 441 HB2 GLN 58 1HB GLN 58 -15.399 -7.459 -2.067 442 HB3 GLN 58 2HB GLN 58 -15.136 -8.956 -1.182 443 HG2 GLN 58 1HG GLN 58 -15.070 -7.081 0.326 444 HG3 GLN 58 2HG GLN 58 -13.474 -7.822 0.217 445 HE21 GLN 58 2HE2 GLN 58 -11.907 -6.395 0.191 446 HE22 GLN 58 1HE2 GLN 58 -11.960 -4.827 -0.532 447 H GLU 59 H GLU 59 -12.894 -10.822 -2.040 448 HA GLU 59 HA GLU 59 -11.174 -10.541 0.150 449 HB2 GLU 59 1HB GLU 59 -12.327 -12.652 -0.959 450 HB3 GLU 59 2HB GLU 59 -10.772 -12.791 -1.768 451 HG2 GLU 59 1HG GLU 59 -10.713 -14.159 0.171 452 HG3 GLU 59 2HG GLU 59 -9.680 -12.761 0.467 453 H MET 60 H MET 60 -10.362 -11.101 -3.277 454 HA MET 60 HA MET 60 -7.567 -10.784 -2.888 455 HB2 MET 60 1HB MET 60 -9.317 -10.748 -5.341 456 HB3 MET 60 2HB MET 60 -7.575 -10.519 -5.429 457 HG2 MET 60 1HG MET 60 -7.198 -12.702 -4.479 458 HG3 MET 60 2HG MET 60 -8.929 -12.930 -4.243 459 HE1 MET 60 3HE MET 60 -9.002 -15.199 -5.473 460 HE2 MET 60 1HE MET 60 -8.321 -15.498 -7.072 461 HE3 MET 60 2HE MET 60 -7.255 -15.152 -5.710 462 H ILE 61 H ILE 61 -10.179 -8.578 -3.422 463 HA ILE 61 HA ILE 61 -8.551 -6.392 -4.322 464 HB ILE 61 HB ILE 61 -11.382 -6.443 -3.273 465 HG12 ILE 61 1HG1 ILE 61 -10.277 -6.221 -6.082 466 HG13 ILE 61 2HG1 ILE 61 -11.060 -7.640 -5.394 467 HG21 ILE 61 1HG2 ILE 61 -10.438 -4.258 -2.890 468 HG22 ILE 61 2HG2 ILE 61 -9.822 -4.197 -4.541 469 HG23 ILE 61 3HG2 ILE 61 -11.561 -4.177 -4.248 470 HD11 ILE 61 3HD1 ILE 61 -12.930 -6.852 -6.291 471 HD12 ILE 61 1HD1 ILE 61 -12.913 -5.646 -5.005 472 HD13 ILE 61 2HD1 ILE 61 -12.219 -5.265 -6.581 473 H ASP 62 H ASP 62 -9.442 -7.717 -1.271 474 HA ASP 62 HA ASP 62 -9.169 -5.415 0.340 475 HB2 ASP 62 1HB ASP 62 -10.251 -7.458 1.151 476 HB3 ASP 62 2HB ASP 62 -8.720 -8.323 1.047 477 H GLU 63 H GLU 63 -6.861 -7.990 -0.495 478 HA GLU 63 HA GLU 63 -4.693 -6.805 0.922 479 HB2 GLU 63 1HB GLU 63 -5.176 -9.208 -0.566 480 HB3 GLU 63 2HB GLU 63 -3.682 -8.473 -1.132 481 HG2 GLU 63 1HG GLU 63 -3.133 -8.286 1.403 482 HG3 GLU 63 2HG GLU 63 -4.363 -9.538 1.567 483 H VAL 64 H VAL 64 -6.078 -6.319 -2.192 484 HA VAL 64 HA VAL 64 -3.735 -5.106 -3.359 485 HB VAL 64 HB VAL 64 -6.606 -5.189 -4.293 486 HG11 VAL 64 1HG1 VAL 64 -4.936 -4.647 -6.459 487 HG12 VAL 64 2HG1 VAL 64 -6.078 -3.542 -5.692 488 HG13 VAL 64 3HG1 VAL 64 -4.392 -3.566 -5.177 489 HG21 VAL 64 3HG2 VAL 64 -4.440 -6.550 -5.767 490 HG22 VAL 64 1HG2 VAL 64 -4.876 -7.243 -4.205 491 HG23 VAL 64 2HG2 VAL 64 -6.101 -7.060 -5.461 492 H ASP 65 H ASP 65 -6.933 -3.923 -2.319 493 HA ASP 65 HA ASP 65 -6.369 -1.192 -2.715 494 HB2 ASP 65 1HB ASP 65 -8.628 -2.511 -2.225 495 HB3 ASP 65 2HB ASP 65 -8.275 -2.010 -0.573 496 H GLU 66 H GLU 66 -4.607 -0.322 -1.788 497 HA GLU 66 HA GLU 66 -3.654 -1.037 0.793 498 HB2 GLU 66 1HB GLU 66 -2.044 0.746 0.503 499 HB3 GLU 66 2HB GLU 66 -2.200 -0.148 -1.002 500 HG2 GLU 66 1HG GLU 66 -2.358 1.876 -1.928 501 HG3 GLU 66 2HG GLU 66 -4.032 1.807 -1.379 502 H ASP 67 H ASP 67 -5.865 1.368 -0.398 503 HA ASP 67 HA ASP 67 -5.926 2.744 2.178 504 HB2 ASP 67 1HB ASP 67 -7.577 4.249 0.973 505 HB3 ASP 67 2HB ASP 67 -5.936 4.245 0.334 506 H GLY 68 H GLY 68 -7.408 0.139 0.712 507 HA2 GLY 68 1HA GLY 68 -9.293 -1.087 1.177 508 HA3 GLY 68 2HA GLY 68 -9.176 -0.389 2.786 509 H SER 69 H SER 69 -9.773 1.307 -0.258 510 HA SER 69 HA SER 69 -12.004 2.694 0.875 511 HG SER 69 HG SER 69 -10.273 3.121 -2.755 512 HB2 SER 69 1HB SER 69 -12.218 3.670 -1.427 513 HB3 SER 69 2HB SER 69 -10.614 3.857 -0.718 514 H GLY 70 H GLY 70 -11.607 -0.254 -0.810 515 HA2 GLY 70 1HA GLY 70 -13.406 -1.846 -0.838 516 HA3 GLY 70 2HA GLY 70 -14.534 -0.508 -0.999 517 H THR 71 H THR 71 -11.936 0.096 -2.968 518 HA THR 71 HA THR 71 -12.882 -1.473 -5.230 519 HB THR 71 HB THR 71 -13.241 0.435 -6.681 520 HG1 THR 71 HG1 THR 71 -13.252 2.568 -5.677 521 HG21 THR 71 3HG2 THR 71 -14.810 1.008 -4.180 522 HG22 THR 71 1HG2 THR 71 -15.087 -0.442 -5.143 523 HG23 THR 71 2HG2 THR 71 -15.328 1.152 -5.859 524 H VAL 72 H VAL 72 -11.488 -1.196 -7.152 525 HA VAL 72 HA VAL 72 -8.713 -0.729 -6.315 526 HB VAL 72 HB VAL 72 -9.971 -2.478 -8.381 527 HG11 VAL 72 1HG1 VAL 72 -7.246 -1.238 -8.556 528 HG12 VAL 72 2HG1 VAL 72 -7.582 -2.820 -9.263 529 HG13 VAL 72 3HG1 VAL 72 -8.474 -1.400 -9.811 530 HG21 VAL 72 3HG2 VAL 72 -9.323 -4.021 -6.920 531 HG22 VAL 72 1HG2 VAL 72 -7.643 -3.572 -7.219 532 HG23 VAL 72 2HG2 VAL 72 -8.549 -2.788 -5.924 533 H ASP 73 H ASP 73 -7.628 0.973 -7.044 534 HA ASP 73 HA ASP 73 -8.815 2.589 -9.178 535 HB2 ASP 73 1HB ASP 73 -7.046 4.272 -8.395 536 HB3 ASP 73 2HB ASP 73 -8.367 3.919 -7.285 537 H PHE 74 H PHE 74 -7.079 3.797 -10.534 538 HA PHE 74 HA PHE 74 -5.844 1.964 -12.215 539 HD1 PHE 74 HD2 PHE 74 -4.637 1.935 -13.927 540 HD2 PHE 74 HD1 PHE 74 -3.757 6.036 -13.203 541 HE1 PHE 74 HE2 PHE 74 -2.822 1.834 -15.584 542 HE2 PHE 74 HE1 PHE 74 -1.941 5.942 -14.860 543 HZ PHE 74 HZ PHE 74 -1.470 3.839 -16.052 544 HB2 PHE 74 1HB PHE 74 -6.355 4.203 -12.974 545 HB3 PHE 74 2HB PHE 74 -5.246 4.898 -11.797 546 H ASP 75 H ASP 75 -4.652 3.537 -9.338 547 HA ASP 75 HA ASP 75 -1.900 2.923 -9.737 548 HB2 ASP 75 1HB ASP 75 -3.117 4.616 -8.089 549 HB3 ASP 75 2HB ASP 75 -3.009 3.246 -6.987 550 H GLU 76 H GLU 76 -4.268 1.555 -7.442 551 HA GLU 76 HA GLU 76 -2.663 -0.622 -6.677 552 HB2 GLU 76 1HB GLU 76 -5.658 -0.246 -6.590 553 HB3 GLU 76 2HB GLU 76 -4.826 -1.610 -5.857 554 HG2 GLU 76 1HG GLU 76 -3.964 -0.361 -4.164 555 HG3 GLU 76 2HG GLU 76 -3.917 1.115 -5.127 556 H TRP 77 H TRP 77 -4.815 -0.140 -9.371 557 HA TRP 77 HA TRP 77 -5.138 -2.864 -10.090 558 HD1 TRP 77 HD1 TRP 77 -8.151 -2.875 -11.606 559 HE1 TRP 77 HE1 TRP 77 -8.339 -4.312 -13.733 560 HE3 TRP 77 HE3 TRP 77 -3.733 -1.600 -13.840 561 HZ2 TRP 77 HZ2 TRP 77 -6.816 -4.836 -16.051 562 HZ3 TRP 77 HZ3 TRP 77 -3.173 -2.614 -16.011 563 HH2 TRP 77 HH2 TRP 77 -4.684 -4.199 -17.092 564 HB2 TRP 77 1HB TRP 77 -6.568 -0.930 -10.870 565 HB3 TRP 77 2HB TRP 77 -5.252 -0.490 -11.955 566 H LEU 78 H LEU 78 -3.030 -0.312 -11.419 567 HA LEU 78 HA LEU 78 -1.669 -1.826 -13.288 568 HG LEU 78 HG LEU 78 -0.816 -0.227 -14.679 569 HB2 LEU 78 1HB LEU 78 -1.520 0.739 -12.379 570 HB3 LEU 78 2HB LEU 78 0.011 0.074 -11.815 571 HD11 LEU 78 1HD1 LEU 78 0.992 1.966 -14.288 572 HD12 LEU 78 2HD1 LEU 78 -0.514 2.254 -13.416 573 HD13 LEU 78 3HD1 LEU 78 -0.547 1.923 -15.148 574 HD21 LEU 78 3HD2 LEU 78 1.720 -0.081 -14.892 575 HD22 LEU 78 1HD2 LEU 78 1.056 -1.534 -14.144 576 HD23 LEU 78 2HD2 LEU 78 1.762 -0.269 -13.138 577 H VAL 79 H VAL 79 -0.745 -1.233 -9.899 578 HA VAL 79 HA VAL 79 1.552 -2.851 -9.910 579 HB VAL 79 HB VAL 79 1.043 -1.184 -8.150 580 HG11 VAL 79 1HG1 VAL 79 -1.306 -1.583 -7.822 581 HG12 VAL 79 2HG1 VAL 79 -0.991 -3.233 -7.280 582 HG13 VAL 79 3HG1 VAL 79 -0.463 -1.865 -6.298 583 HG21 VAL 79 3HG2 VAL 79 2.535 -3.349 -7.923 584 HG22 VAL 79 1HG2 VAL 79 2.258 -2.277 -6.550 585 HG23 VAL 79 2HG2 VAL 79 1.331 -3.769 -6.705 586 H MET 80 H MET 80 -1.829 -3.608 -9.567 587 HA MET 80 HA MET 80 -1.711 -6.085 -8.316 588 HB2 MET 80 1HB MET 80 -3.761 -4.700 -9.025 589 HB3 MET 80 2HB MET 80 -3.605 -5.504 -10.581 590 HG2 MET 80 1HG MET 80 -3.591 -7.669 -9.102 591 HG3 MET 80 2HG MET 80 -4.394 -6.615 -7.940 592 HE1 MET 80 3HE MET 80 -6.358 -4.846 -9.101 593 HE2 MET 80 1HE MET 80 -5.579 -4.801 -10.684 594 HE3 MET 80 2HE MET 80 -7.261 -5.315 -10.543 595 H MET 81 H MET 81 -1.469 -5.315 -11.778 596 HA MET 81 HA MET 81 -1.172 -7.991 -12.642 597 HB2 MET 81 1HB MET 81 -1.675 -5.744 -13.952 598 HB3 MET 81 2HB MET 81 0.069 -5.753 -14.176 599 HG2 MET 81 1HG MET 81 -0.751 -6.814 -16.069 600 HG3 MET 81 2HG MET 81 -0.232 -8.138 -15.029 601 HE1 MET 81 3HE MET 81 -2.952 -5.723 -15.531 602 HE2 MET 81 1HE MET 81 -4.136 -6.679 -16.424 603 HE3 MET 81 2HE MET 81 -4.296 -6.485 -14.679 604 H ALA 82 H ALA 82 1.189 -5.433 -11.942 605 HA ALA 82 HA ALA 82 3.513 -6.755 -12.673 606 HB1 ALA 82 1HB ALA 82 4.281 -4.764 -12.063 607 HB2 ALA 82 2HB ALA 82 2.822 -4.432 -11.128 608 HB3 ALA 82 3HB ALA 82 4.171 -5.289 -10.383 609 H ARG 83 H ARG 83 1.552 -7.102 -9.792 610 HA ARG 83 HA ARG 83 3.396 -8.508 -8.199 611 HE ARG 83 HE ARG 83 -0.074 -11.601 -5.671 612 HB2 ARG 83 1HB ARG 83 1.441 -7.602 -7.167 613 HB3 ARG 83 2HB ARG 83 0.380 -8.492 -8.251 614 HG2 ARG 83 1HG ARG 83 1.146 -10.598 -7.230 615 HG3 ARG 83 2HG ARG 83 2.134 -9.665 -6.104 616 HD2 ARG 83 1HD ARG 83 0.355 -9.029 -4.866 617 HD3 ARG 83 2HD ARG 83 -0.701 -8.882 -6.270 618 HH11 ARG 83 1HH1 ARG 83 -2.113 -8.925 -4.775 619 HH12 ARG 83 2HH1 ARG 83 -3.376 -9.930 -4.146 620 HH21 ARG 83 1HH2 ARG 83 -1.731 -12.934 -4.846 621 HH22 ARG 83 2HH2 ARG 83 -3.158 -12.210 -4.186 622 H CYS 84 H CYS 84 1.468 -9.464 -10.904 623 HA CYS 84 HA CYS 84 1.456 -12.263 -10.402 624 HG CYS 84 HG CYS 84 0.637 -13.184 -14.196 625 HB2 CYS 84 1HB CYS 84 -0.074 -10.976 -11.982 626 HB3 CYS 84 2HB CYS 84 1.272 -10.955 -13.114 627 H MET 85 H MET 85 3.837 -10.083 -11.531 628 HA MET 85 HA MET 85 5.368 -11.952 -13.063 629 HB2 MET 85 1HB MET 85 6.116 -9.290 -11.843 630 HB3 MET 85 2HB MET 85 7.146 -10.210 -12.932 631 HG2 MET 85 1HG MET 85 4.408 -9.179 -13.632 632 HG3 MET 85 2HG MET 85 5.922 -8.371 -14.033 633 HE1 MET 85 3HE MET 85 5.385 -8.555 -16.950 634 HE2 MET 85 1HE MET 85 4.290 -9.888 -17.316 635 HE3 MET 85 2HE MET 85 3.902 -8.761 -16.016 636 H LYS 86 H LYS 86 5.454 -10.764 -9.740 637 HA LYS 86 HA LYS 86 7.852 -12.142 -9.038 638 HB2 LYS 86 1HB LYS 86 5.658 -10.928 -7.353 639 HB3 LYS 86 2HB LYS 86 7.131 -11.618 -6.687 640 HG2 LYS 86 1HG LYS 86 7.108 -9.365 -8.678 641 HG3 LYS 86 2HG LYS 86 7.129 -9.130 -6.929 642 HD2 LYS 86 1HD LYS 86 9.182 -10.809 -8.346 643 HD3 LYS 86 2HD LYS 86 9.374 -9.067 -8.137 644 HE2 LYS 86 1HE LYS 86 10.438 -9.755 -6.251 645 HE3 LYS 86 2HE LYS 86 8.792 -9.708 -5.621 646 HZ1 LYS 86 3HZ LYS 86 8.707 -11.931 -5.444 647 HZ2 LYS 86 1HZ LYS 86 10.396 -11.829 -5.436 648 HZ3 LYS 86 2HZ LYS 86 9.578 -12.204 -6.868 649 H ASP 87 H ASP 87 4.768 -13.224 -9.685 650 HA ASP 87 HA ASP 87 4.585 -15.300 -7.716 651 HB2 ASP 87 1HB ASP 87 3.106 -14.877 -10.320 652 HB3 ASP 87 2HB ASP 87 2.721 -16.136 -9.150 653 H ASP 88 H ASP 88 6.589 -16.378 -7.889 654 HA ASP 88 HA ASP 88 6.644 -18.347 -10.043 655 HB2 ASP 88 1HB ASP 88 8.127 -16.570 -10.828 656 HB3 ASP 88 2HB ASP 88 9.017 -16.620 -9.309 657 H SER 89 H SER 89 7.725 -20.275 -9.518 658 HA SER 89 HA SER 89 7.807 -20.818 -6.680 659 HG SER 89 HG SER 89 5.959 -22.758 -8.498 660 HB2 SER 89 1HB SER 89 7.919 -22.475 -9.170 661 HB3 SER 89 2HB SER 89 8.491 -23.171 -7.654 Start of MODEL 2 1 HA MET 1 HA MET 1 1.766 -2.714 0.798 2 H1 MET 1 H MET 1 3.610 -3.352 2.952 3 HB2 MET 1 1HB MET 1 3.332 -1.149 -0.276 4 HB3 MET 1 2HB MET 1 2.768 -0.547 1.278 5 HG2 MET 1 1HG MET 1 5.283 -2.090 1.298 6 HG3 MET 1 2HG MET 1 5.329 -0.510 0.520 7 HE1 MET 1 3HE MET 1 7.140 -1.127 2.440 8 HE2 MET 1 1HE MET 1 7.130 0.158 3.649 9 HE3 MET 1 2HE MET 1 6.624 -1.473 4.091 10 H ASP 2 H ASP 2 3.140 -2.906 -1.382 11 HA ASP 2 HA ASP 2 4.921 -5.235 -1.126 12 HB2 ASP 2 1HB ASP 2 3.831 -5.958 -3.376 13 HB3 ASP 2 2HB ASP 2 2.980 -6.285 -1.869 14 H ASP 3 H ASP 3 6.587 -3.580 -1.325 15 HA ASP 3 HA ASP 3 6.848 -1.927 -3.592 16 HB2 ASP 3 1HB ASP 3 9.080 -1.510 -2.855 17 HB3 ASP 3 2HB ASP 3 8.095 -1.698 -1.407 18 H ILE 4 H ILE 4 7.465 -5.284 -3.086 19 HA ILE 4 HA ILE 4 9.382 -5.776 -5.064 20 HB ILE 4 HB ILE 4 8.816 -7.484 -3.451 21 HG12 ILE 4 1HG1 ILE 4 7.807 -8.848 -5.864 22 HG13 ILE 4 2HG1 ILE 4 9.287 -7.925 -6.100 23 HG21 ILE 4 1HG2 ILE 4 6.464 -6.983 -3.150 24 HG22 ILE 4 2HG2 ILE 4 6.112 -7.552 -4.781 25 HG23 ILE 4 3HG2 ILE 4 6.673 -8.687 -3.554 26 HD11 ILE 4 3HD1 ILE 4 9.331 -9.580 -3.705 27 HD12 ILE 4 1HD1 ILE 4 9.130 -10.498 -5.197 28 HD13 ILE 4 2HD1 ILE 4 10.514 -9.423 -5.003 29 H TYR 5 H TYR 5 5.924 -5.298 -5.266 30 HA TYR 5 HA TYR 5 5.795 -6.134 -8.035 31 HD1 TYR 5 HD1 TYR 5 4.837 -7.930 -8.073 32 HD2 TYR 5 HD2 TYR 5 2.481 -6.375 -4.890 33 HE1 TYR 5 HE1 TYR 5 4.323 -10.222 -7.341 34 HE2 TYR 5 HE2 TYR 5 1.961 -8.662 -4.149 35 HH TYR 5 HH TYR 5 2.934 -10.924 -4.338 36 HB2 TYR 5 1HB TYR 5 3.740 -4.910 -6.189 37 HB3 TYR 5 2HB TYR 5 3.410 -5.370 -7.855 38 H LYS 6 H LYS 6 5.935 -3.158 -6.192 39 HA LYS 6 HA LYS 6 5.268 -1.384 -8.291 40 HB2 LYS 6 1HB LYS 6 7.094 -0.720 -5.988 41 HB3 LYS 6 2HB LYS 6 6.017 0.359 -6.865 42 HG2 LYS 6 1HG LYS 6 5.336 -1.722 -4.824 43 HG3 LYS 6 2HG LYS 6 4.942 -0.002 -4.834 44 HD2 LYS 6 1HD LYS 6 3.708 -0.784 -7.098 45 HD3 LYS 6 2HD LYS 6 3.589 -2.270 -6.153 46 HE2 LYS 6 1HE LYS 6 2.866 -0.462 -4.292 47 HE3 LYS 6 2HE LYS 6 2.298 0.354 -5.748 48 HZ1 LYS 6 3HZ LYS 6 0.573 -1.009 -5.834 49 HZ2 LYS 6 1HZ LYS 6 1.057 -1.709 -4.372 50 HZ3 LYS 6 2HZ LYS 6 1.576 -2.371 -5.839 51 H ALA 7 H ALA 7 8.359 -2.640 -7.106 52 HA ALA 7 HA ALA 7 9.993 -1.102 -8.834 53 HB1 ALA 7 1HB ALA 7 11.614 -3.120 -8.324 54 HB2 ALA 7 2HB ALA 7 11.214 -1.927 -7.088 55 HB3 ALA 7 3HB ALA 7 10.393 -3.488 -7.105 56 H ALA 8 H ALA 8 8.116 -3.957 -9.292 57 HA ALA 8 HA ALA 8 9.541 -4.988 -11.540 58 HB1 ALA 8 1HB ALA 8 8.132 -6.437 -10.204 59 HB2 ALA 8 2HB ALA 8 6.710 -5.483 -10.628 60 HB3 ALA 8 3HB ALA 8 7.557 -6.402 -11.872 61 H VAL 9 H VAL 9 6.506 -3.149 -11.214 62 HA VAL 9 HA VAL 9 6.024 -2.880 -13.977 63 HB VAL 9 HB VAL 9 4.589 -0.909 -13.272 64 HG11 VAL 9 1HG1 VAL 9 2.866 -2.294 -12.533 65 HG12 VAL 9 2HG1 VAL 9 3.928 -3.391 -13.419 66 HG13 VAL 9 3HG1 VAL 9 3.968 -3.355 -11.656 67 HG21 VAL 9 3HG2 VAL 9 5.981 -0.416 -11.237 68 HG22 VAL 9 1HG2 VAL 9 4.241 -0.478 -10.959 69 HG23 VAL 9 2HG2 VAL 9 5.259 -1.838 -10.486 70 H GLU 10 H GLU 10 7.996 -1.065 -11.739 71 HA GLU 10 HA GLU 10 8.339 1.257 -13.317 72 HB2 GLU 10 1HB GLU 10 9.760 0.038 -10.993 73 HB3 GLU 10 2HB GLU 10 10.573 1.311 -11.892 74 HG2 GLU 10 1HG GLU 10 8.273 2.548 -11.557 75 HG3 GLU 10 2HG GLU 10 8.142 1.440 -10.193 76 H GLN 11 H GLN 11 9.632 -1.914 -13.532 77 HA GLN 11 HA GLN 11 11.903 -1.097 -15.156 78 HB2 GLN 11 1HB GLN 11 10.950 -3.882 -14.475 79 HB3 GLN 11 2HB GLN 11 12.500 -3.451 -15.185 80 HG2 GLN 11 1HG GLN 11 12.209 -1.977 -12.785 81 HG3 GLN 11 2HG GLN 11 11.791 -3.656 -12.447 82 HE21 GLN 11 2HE2 GLN 11 13.349 -5.288 -12.946 83 HE22 GLN 11 1HE2 GLN 11 15.033 -4.906 -12.964 84 H LEU 12 H LEU 12 8.660 -1.671 -15.637 85 HA LEU 12 HA LEU 12 8.696 -3.083 -18.095 86 HG LEU 12 HG LEU 12 6.916 -3.405 -15.675 87 HB2 LEU 12 1HB LEU 12 6.657 -1.249 -16.854 88 HB3 LEU 12 2HB LEU 12 6.386 -2.128 -18.357 89 HD11 LEU 12 1HD1 LEU 12 4.753 -2.239 -15.768 90 HD12 LEU 12 2HD1 LEU 12 4.569 -3.990 -15.676 91 HD13 LEU 12 3HD1 LEU 12 4.335 -3.159 -17.214 92 HD21 LEU 12 3HD2 LEU 12 6.094 -4.592 -18.323 93 HD22 LEU 12 1HD2 LEU 12 6.245 -5.468 -16.800 94 HD23 LEU 12 2HD2 LEU 12 7.673 -4.760 -17.555 95 H THR 13 H THR 13 7.679 -1.995 -20.110 96 HA THR 13 HA THR 13 9.292 0.390 -20.690 97 HB THR 13 HB THR 13 9.674 -1.580 -22.135 98 HG1 THR 13 HG1 THR 13 9.661 -0.381 -24.010 99 HG21 THR 13 3HG2 THR 13 7.491 -2.591 -22.136 100 HG22 THR 13 1HG2 THR 13 7.905 -2.163 -23.796 101 HG23 THR 13 2HG2 THR 13 6.779 -1.160 -22.881 102 H GLU 14 H GLU 14 8.291 1.864 -22.397 103 HA GLU 14 HA GLU 14 6.030 3.102 -21.372 104 HB2 GLU 14 1HB GLU 14 6.980 3.216 -24.239 105 HB3 GLU 14 2HB GLU 14 5.976 4.405 -23.422 106 HG2 GLU 14 1HG GLU 14 8.002 4.538 -21.774 107 HG3 GLU 14 2HG GLU 14 8.889 3.872 -23.143 108 H GLU 15 H GLU 15 6.310 0.534 -23.730 109 HA GLU 15 HA GLU 15 3.708 0.644 -24.791 110 HB2 GLU 15 1HB GLU 15 5.723 -1.576 -24.529 111 HB3 GLU 15 2HB GLU 15 4.142 -1.850 -25.249 112 HG2 GLU 15 1HG GLU 15 5.419 -1.425 -27.100 113 HG3 GLU 15 2HG GLU 15 4.772 0.177 -26.749 114 H GLN 16 H GLN 16 5.039 -1.074 -21.999 115 HA GLN 16 HA GLN 16 2.747 -2.553 -21.341 116 HB2 GLN 16 1HB GLN 16 4.927 -1.496 -19.533 117 HB3 GLN 16 2HB GLN 16 3.748 -2.721 -19.082 118 HG2 GLN 16 1HG GLN 16 5.418 -3.179 -21.497 119 HG3 GLN 16 2HG GLN 16 6.156 -3.365 -19.907 120 HE21 GLN 16 2HE2 GLN 16 6.353 -5.594 -20.872 121 HE22 GLN 16 1HE2 GLN 16 5.065 -6.698 -20.546 122 H LYS 17 H LYS 17 3.937 0.447 -19.814 123 HA LYS 17 HA LYS 17 1.768 0.956 -18.186 124 HB2 LYS 17 1HB LYS 17 3.423 3.028 -19.639 125 HB3 LYS 17 2HB LYS 17 2.480 3.287 -18.177 126 HG2 LYS 17 1HG LYS 17 4.881 1.488 -18.434 127 HG3 LYS 17 2HG LYS 17 4.849 3.082 -17.677 128 HD2 LYS 17 1HD LYS 17 3.191 0.730 -16.772 129 HD3 LYS 17 2HD LYS 17 4.737 1.194 -16.058 130 HE2 LYS 17 1HE LYS 17 2.235 2.876 -16.164 131 HE3 LYS 17 2HE LYS 17 2.887 2.064 -14.742 132 HZ1 LYS 17 3HZ LYS 17 3.628 4.237 -14.535 133 HZ2 LYS 17 1HZ LYS 17 3.968 4.400 -16.185 134 HZ3 LYS 17 2HZ LYS 17 4.967 3.450 -15.205 135 H ASN 18 H ASN 18 2.172 1.643 -21.612 136 HA ASN 18 HA ASN 18 -0.125 3.269 -21.910 137 HB2 ASN 18 1HB ASN 18 1.288 3.503 -23.712 138 HB3 ASN 18 2HB ASN 18 1.693 1.789 -23.754 139 HD21 ASN 18 2HD2 ASN 18 0.686 0.521 -25.167 140 HD22 ASN 18 1HD2 ASN 18 -0.654 0.993 -26.150 141 H GLU 19 H GLU 19 0.416 -0.204 -22.102 142 HA GLU 19 HA GLU 19 -2.114 -0.892 -23.159 143 HB2 GLU 19 1HB GLU 19 0.070 -2.363 -21.753 144 HB3 GLU 19 2HB GLU 19 -1.499 -3.140 -21.904 145 HG2 GLU 19 1HG GLU 19 0.098 -2.060 -24.213 146 HG3 GLU 19 2HG GLU 19 0.094 -3.745 -23.693 147 H PHE 20 H PHE 20 -0.877 -0.808 -19.828 148 HA PHE 20 HA PHE 20 -3.298 -1.628 -18.617 149 HD1 PHE 20 HD1 PHE 20 -2.317 -3.328 -18.364 150 HD2 PHE 20 HD2 PHE 20 0.809 -1.175 -16.438 151 HE1 PHE 20 HE1 PHE 20 -0.938 -5.365 -18.333 152 HE2 PHE 20 HE2 PHE 20 2.194 -3.208 -16.405 153 HZ PHE 20 HZ PHE 20 1.321 -5.307 -17.354 154 HB2 PHE 20 1HB PHE 20 -1.027 -0.021 -17.428 155 HB3 PHE 20 2HB PHE 20 -2.282 -0.857 -16.520 156 H LYS 21 H LYS 21 -1.911 1.543 -19.324 157 HA LYS 21 HA LYS 21 -3.932 3.044 -18.008 158 HB2 LYS 21 1HB LYS 21 -1.690 3.944 -18.546 159 HB3 LYS 21 2HB LYS 21 -2.093 3.887 -20.257 160 HG2 LYS 21 1HG LYS 21 -4.089 5.393 -19.584 161 HG3 LYS 21 2HG LYS 21 -3.139 5.702 -18.129 162 HD2 LYS 21 1HD LYS 21 -1.356 6.629 -19.373 163 HD3 LYS 21 2HD LYS 21 -2.004 6.018 -20.897 164 HE2 LYS 21 1HE LYS 21 -3.630 7.912 -19.259 165 HE3 LYS 21 2HE LYS 21 -2.302 8.534 -20.237 166 HZ1 LYS 21 3HZ LYS 21 -3.661 6.853 -21.911 167 HZ2 LYS 21 1HZ LYS 21 -3.740 8.543 -21.911 168 HZ3 LYS 21 2HZ LYS 21 -4.887 7.643 -21.054 169 H ALA 22 H ALA 22 -3.433 2.073 -21.382 170 HA ALA 22 HA ALA 22 -5.732 3.404 -22.388 171 HB1 ALA 22 1HB ALA 22 -5.288 2.338 -24.436 172 HB2 ALA 22 2HB ALA 22 -3.708 2.612 -23.702 173 HB3 ALA 22 3HB ALA 22 -4.437 1.007 -23.653 174 H ALA 23 H ALA 23 -5.124 0.138 -21.202 175 HA ALA 23 HA ALA 23 -7.703 -0.869 -21.919 176 HB1 ALA 23 1HB ALA 23 -5.517 -1.908 -20.135 177 HB2 ALA 23 2HB ALA 23 -7.045 -2.760 -20.367 178 HB3 ALA 23 3HB ALA 23 -5.979 -2.469 -21.742 179 H PHE 24 H PHE 24 -6.260 0.457 -18.982 180 HA PHE 24 HA PHE 24 -8.235 -0.142 -17.141 181 HD1 PHE 24 HD1 PHE 24 -7.161 0.324 -14.363 182 HD2 PHE 24 HD2 PHE 24 -8.128 3.917 -16.430 183 HE1 PHE 24 HE1 PHE 24 -8.211 1.212 -12.322 184 HE2 PHE 24 HE2 PHE 24 -9.178 4.811 -14.393 185 HZ PHE 24 HZ PHE 24 -9.220 3.459 -12.335 186 HB2 PHE 24 1HB PHE 24 -6.125 0.866 -16.478 187 HB3 PHE 24 2HB PHE 24 -6.530 2.349 -17.337 188 H ASP 25 H ASP 25 -8.241 2.201 -19.707 189 HA ASP 25 HA ASP 25 -10.362 3.825 -18.781 190 HB2 ASP 25 1HB ASP 25 -8.877 4.593 -20.546 191 HB3 ASP 25 2HB ASP 25 -9.396 3.277 -21.595 192 H ILE 26 H ILE 26 -10.263 0.921 -20.792 193 HA ILE 26 HA ILE 26 -13.025 0.907 -21.435 194 HB ILE 26 HB ILE 26 -10.993 -1.324 -21.416 195 HG12 ILE 26 1HG1 ILE 26 -11.855 -0.758 -24.016 196 HG13 ILE 26 2HG1 ILE 26 -11.663 0.817 -23.255 197 HG21 ILE 26 1HG2 ILE 26 -12.672 -2.502 -22.876 198 HG22 ILE 26 2HG2 ILE 26 -13.104 -2.375 -21.172 199 HG23 ILE 26 3HG2 ILE 26 -13.852 -1.300 -22.353 200 HD11 ILE 26 3HD1 ILE 26 -9.465 -1.085 -22.818 201 HD12 ILE 26 1HD1 ILE 26 -9.679 -0.516 -24.473 202 HD13 ILE 26 2HD1 ILE 26 -9.427 0.643 -23.167 203 H PHE 27 H PHE 27 -11.203 -0.158 -18.683 204 HA PHE 27 HA PHE 27 -13.234 -1.892 -17.636 205 HD1 PHE 27 HD1 PHE 27 -10.257 -2.280 -18.815 206 HD2 PHE 27 HD2 PHE 27 -11.515 -3.756 -15.026 207 HE1 PHE 27 HE1 PHE 27 -9.422 -4.516 -19.412 208 HE2 PHE 27 HE2 PHE 27 -10.681 -5.994 -15.617 209 HZ PHE 27 HZ PHE 27 -9.632 -6.376 -17.812 210 HB2 PHE 27 1HB PHE 27 -10.635 -0.804 -16.626 211 HB3 PHE 27 2HB PHE 27 -11.764 -1.526 -15.484 212 H VAL 28 H VAL 28 -12.147 1.414 -16.969 213 HA VAL 28 HA VAL 28 -14.217 1.809 -14.980 214 HB VAL 28 HB VAL 28 -13.329 4.072 -14.760 215 HG11 VAL 28 1HG1 VAL 28 -11.249 3.518 -13.794 216 HG12 VAL 28 2HG1 VAL 28 -12.236 2.060 -13.668 217 HG13 VAL 28 3HG1 VAL 28 -10.996 2.182 -14.917 218 HG21 VAL 28 3HG2 VAL 28 -12.752 4.714 -16.942 219 HG22 VAL 28 1HG2 VAL 28 -11.213 4.595 -16.091 220 HG23 VAL 28 2HG2 VAL 28 -11.721 3.303 -17.178 221 H LEU 29 H LEU 29 -14.406 1.572 -18.166 222 HA LEU 29 HA LEU 29 -15.553 3.855 -19.199 223 HG LEU 29 HG LEU 29 -14.196 2.488 -21.094 224 HB2 LEU 29 1HB LEU 29 -15.643 0.991 -19.797 225 HB3 LEU 29 2HB LEU 29 -17.058 1.883 -20.350 226 HD11 LEU 29 1HD1 LEU 29 -14.628 1.530 -23.189 227 HD12 LEU 29 2HD1 LEU 29 -16.364 1.453 -22.894 228 HD13 LEU 29 3HD1 LEU 29 -15.274 0.375 -22.023 229 HD21 LEU 29 3HD2 LEU 29 -16.712 3.958 -21.394 230 HD22 LEU 29 1HD2 LEU 29 -15.798 3.763 -22.890 231 HD23 LEU 29 2HD2 LEU 29 -15.044 4.525 -21.490 232 H GLY 30 H GLY 30 -16.907 1.531 -16.979 233 HA2 GLY 30 1HA GLY 30 -19.589 2.642 -17.241 234 HA3 GLY 30 2HA GLY 30 -19.115 1.291 -16.222 235 H ALA 31 H ALA 31 -16.821 2.956 -15.183 236 HA ALA 31 HA ALA 31 -18.199 4.014 -12.918 237 HB1 ALA 31 1HB ALA 31 -15.334 3.868 -13.758 238 HB2 ALA 31 2HB ALA 31 -15.807 4.867 -12.383 239 HB3 ALA 31 3HB ALA 31 -16.134 3.134 -12.368 240 H GLU 32 H GLU 32 -17.861 6.238 -12.105 241 HA GLU 32 HA GLU 32 -18.079 8.164 -14.316 242 HB2 GLU 32 1HB GLU 32 -19.423 9.527 -12.901 243 HB3 GLU 32 2HB GLU 32 -20.029 7.884 -12.749 244 HG2 GLU 32 1HG GLU 32 -18.455 7.768 -10.691 245 HG3 GLU 32 2HG GLU 32 -18.510 9.528 -10.777 246 H ASP 33 H ASP 33 -16.325 7.369 -11.428 247 HA ASP 33 HA ASP 33 -14.887 9.912 -11.465 248 HB2 ASP 33 1HB ASP 33 -15.736 8.641 -9.341 249 HB3 ASP 33 2HB ASP 33 -14.279 7.676 -9.562 250 H GLY 34 H GLY 34 -14.466 6.532 -12.229 251 HA2 GLY 34 1HA GLY 34 -12.832 6.002 -13.963 252 HA3 GLY 34 2HA GLY 34 -11.755 7.171 -13.213 253 H CYS 35 H CYS 35 -13.685 4.493 -11.876 254 HA CYS 35 HA CYS 35 -11.232 3.098 -11.140 255 HG CYS 35 HG CYS 35 -11.666 5.526 -7.749 256 HB2 CYS 35 1HB CYS 35 -13.330 3.906 -9.115 257 HB3 CYS 35 2HB CYS 35 -11.966 2.842 -8.795 258 H ILE 36 H ILE 36 -11.898 0.982 -9.916 259 HA ILE 36 HA ILE 36 -14.316 -0.121 -11.185 260 HB ILE 36 HB ILE 36 -11.676 -1.560 -10.898 261 HG12 ILE 36 1HG1 ILE 36 -12.590 -1.356 -13.598 262 HG13 ILE 36 2HG1 ILE 36 -12.587 0.256 -12.891 263 HG21 ILE 36 1HG2 ILE 36 -14.311 -2.406 -12.091 264 HG22 ILE 36 2HG2 ILE 36 -12.799 -3.291 -12.287 265 HG23 ILE 36 3HG2 ILE 36 -13.505 -3.096 -10.682 266 HD11 ILE 36 3HD1 ILE 36 -10.408 0.375 -13.207 267 HD12 ILE 36 1HD1 ILE 36 -10.174 -1.009 -12.141 268 HD13 ILE 36 2HD1 ILE 36 -10.404 -1.258 -13.872 269 H SER 37 H SER 37 -15.679 -1.006 -9.786 270 HA SER 37 HA SER 37 -14.737 -1.587 -7.075 271 HG SER 37 HG SER 37 -18.313 -0.234 -8.260 272 HB2 SER 37 1HB SER 37 -17.327 -1.796 -6.722 273 HB3 SER 37 2HB SER 37 -16.593 -0.201 -6.884 274 H THR 38 H THR 38 -15.339 -3.531 -6.004 275 HA THR 38 HA THR 38 -14.907 -5.867 -7.444 276 HB THR 38 HB THR 38 -14.518 -5.951 -5.110 277 HG1 THR 38 HG1 THR 38 -16.121 -7.664 -4.484 278 HG21 THR 38 3HG2 THR 38 -17.021 -5.896 -3.857 279 HG22 THR 38 1HG2 THR 38 -17.018 -4.522 -4.963 280 HG23 THR 38 2HG2 THR 38 -15.747 -4.681 -3.750 281 H LYS 39 H LYS 39 -17.823 -4.082 -6.939 282 HA LYS 39 HA LYS 39 -19.706 -6.134 -7.391 283 HB2 LYS 39 1HB LYS 39 -19.899 -3.162 -7.913 284 HB3 LYS 39 2HB LYS 39 -21.261 -4.275 -7.950 285 HG2 LYS 39 1HG LYS 39 -19.533 -3.960 -5.518 286 HG3 LYS 39 2HG LYS 39 -20.918 -2.912 -5.832 287 HD2 LYS 39 1HD LYS 39 -21.202 -5.896 -5.892 288 HD3 LYS 39 2HD LYS 39 -21.252 -5.013 -4.364 289 HE2 LYS 39 1HE LYS 39 -23.022 -4.436 -6.737 290 HE3 LYS 39 2HE LYS 39 -23.492 -5.431 -5.360 291 HZ1 LYS 39 3HZ LYS 39 -22.977 -2.527 -5.444 292 HZ2 LYS 39 1HZ LYS 39 -22.880 -3.379 -3.986 293 HZ3 LYS 39 2HZ LYS 39 -24.332 -3.347 -4.852 294 H GLU 40 H GLU 40 -18.506 -3.622 -9.626 295 HA GLU 40 HA GLU 40 -19.668 -4.906 -11.906 296 HB2 GLU 40 1HB GLU 40 -17.519 -2.795 -11.974 297 HB3 GLU 40 2HB GLU 40 -18.741 -3.139 -13.190 298 HG2 GLU 40 1HG GLU 40 -19.292 -2.032 -10.447 299 HG3 GLU 40 2HG GLU 40 -19.198 -1.083 -11.929 300 H LEU 41 H LEU 41 -16.472 -4.780 -10.446 301 HA LEU 41 HA LEU 41 -14.921 -5.847 -12.469 302 HG LEU 41 HG LEU 41 -13.188 -7.891 -10.385 303 HB2 LEU 41 1HB LEU 41 -14.005 -5.004 -10.379 304 HB3 LEU 41 2HB LEU 41 -14.726 -6.353 -9.503 305 HD11 LEU 41 1HD1 LEU 41 -11.456 -6.793 -12.114 306 HD12 LEU 41 2HD1 LEU 41 -12.911 -5.891 -12.536 307 HD13 LEU 41 3HD1 LEU 41 -12.913 -7.653 -12.612 308 HD21 LEU 41 3HD2 LEU 41 -12.130 -6.636 -8.684 309 HD22 LEU 41 1HD2 LEU 41 -11.842 -5.273 -9.765 310 HD23 LEU 41 2HD2 LEU 41 -10.953 -6.779 -9.990 311 H GLY 42 H GLY 42 -17.156 -7.454 -10.297 312 HA2 GLY 42 1HA GLY 42 -16.329 -10.114 -10.859 313 HA3 GLY 42 2HA GLY 42 -17.872 -9.635 -10.166 314 H LYS 43 H LYS 43 -18.438 -7.877 -12.497 315 HA LYS 43 HA LYS 43 -19.840 -9.785 -14.063 316 HB2 LYS 43 1HB LYS 43 -19.325 -6.837 -14.473 317 HB3 LYS 43 2HB LYS 43 -20.367 -7.796 -15.516 318 HG2 LYS 43 1HG LYS 43 -20.775 -7.412 -12.557 319 HG3 LYS 43 2HG LYS 43 -21.609 -6.511 -13.825 320 HD2 LYS 43 1HD LYS 43 -21.713 -9.503 -13.439 321 HD3 LYS 43 2HD LYS 43 -22.973 -8.363 -12.961 322 HE2 LYS 43 1HE LYS 43 -23.824 -8.898 -14.984 323 HE3 LYS 43 2HE LYS 43 -22.688 -7.669 -15.539 324 HZ1 LYS 43 3HZ LYS 43 -21.506 -10.274 -15.313 325 HZ2 LYS 43 1HZ LYS 43 -21.481 -9.185 -16.608 326 HZ3 LYS 43 2HZ LYS 43 -22.792 -10.235 -16.412 327 H VAL 44 H VAL 44 -17.006 -7.743 -14.717 328 HA VAL 44 HA VAL 44 -16.571 -8.534 -17.362 329 HB VAL 44 HB VAL 44 -14.525 -7.693 -15.304 330 HG11 VAL 44 1HG1 VAL 44 -13.237 -8.615 -16.990 331 HG12 VAL 44 2HG1 VAL 44 -14.369 -8.138 -18.257 332 HG13 VAL 44 3HG1 VAL 44 -13.346 -6.926 -17.486 333 HG21 VAL 44 3HG2 VAL 44 -15.177 -5.578 -15.600 334 HG22 VAL 44 1HG2 VAL 44 -15.263 -5.769 -17.351 335 HG23 VAL 44 2HG2 VAL 44 -16.632 -6.241 -16.345 336 H MET 45 H MET 45 -15.725 -10.066 -14.331 337 HA MET 45 HA MET 45 -13.774 -11.851 -15.118 338 HB2 MET 45 1HB MET 45 -16.042 -12.269 -13.165 339 HB3 MET 45 2HB MET 45 -14.654 -13.338 -13.312 340 HG2 MET 45 1HG MET 45 -13.979 -10.515 -12.935 341 HG3 MET 45 2HG MET 45 -14.843 -11.254 -11.589 342 HE1 MET 45 3HE MET 45 -12.522 -13.560 -13.853 343 HE2 MET 45 1HE MET 45 -12.022 -11.895 -14.153 344 HE3 MET 45 2HE MET 45 -10.941 -13.001 -13.306 345 H ARG 46 H ARG 46 -17.274 -12.082 -15.519 346 HA ARG 46 HA ARG 46 -17.419 -14.723 -16.424 347 HE ARG 46 HE ARG 46 -21.344 -13.893 -13.579 348 HB2 ARG 46 1HB ARG 46 -19.162 -12.401 -17.266 349 HB3 ARG 46 2HB ARG 46 -19.571 -14.107 -17.390 350 HG2 ARG 46 1HG ARG 46 -18.943 -12.840 -14.748 351 HG3 ARG 46 2HG ARG 46 -20.559 -12.767 -15.452 352 HD2 ARG 46 1HD ARG 46 -20.130 -15.375 -15.728 353 HD3 ARG 46 2HD ARG 46 -19.057 -15.082 -14.360 354 HH11 ARG 46 1HH1 ARG 46 -20.645 -17.054 -14.860 355 HH12 ARG 46 2HH1 ARG 46 -21.943 -17.828 -14.013 356 HH21 ARG 46 1HH2 ARG 46 -23.056 -14.900 -12.458 357 HH22 ARG 46 2HH2 ARG 46 -23.315 -16.601 -12.647 358 H MET 47 H MET 47 -16.840 -11.708 -18.182 359 HA MET 47 HA MET 47 -16.887 -12.821 -20.775 360 HB2 MET 47 1HB MET 47 -15.309 -10.406 -19.882 361 HB3 MET 47 2HB MET 47 -15.878 -10.762 -21.508 362 HG2 MET 47 1HG MET 47 -18.230 -10.726 -20.373 363 HG3 MET 47 2HG MET 47 -17.393 -9.787 -19.139 364 HE1 MET 47 3HE MET 47 -19.665 -7.568 -20.923 365 HE2 MET 47 1HE MET 47 -19.068 -8.249 -19.409 366 HE3 MET 47 2HE MET 47 -18.406 -6.731 -20.014 367 H LEU 48 H LEU 48 -14.449 -12.697 -18.300 368 HA LEU 48 HA LEU 48 -12.234 -13.295 -20.006 369 HG LEU 48 HG LEU 48 -10.340 -12.159 -18.675 370 HB2 LEU 48 1HB LEU 48 -12.715 -13.115 -17.087 371 HB3 LEU 48 2HB LEU 48 -11.336 -14.074 -17.619 372 HD11 LEU 48 1HD1 LEU 48 -11.858 -10.764 -19.590 373 HD12 LEU 48 2HD1 LEU 48 -11.673 -9.914 -18.056 374 HD13 LEU 48 3HD1 LEU 48 -13.031 -11.013 -18.297 375 HD21 LEU 48 3HD2 LEU 48 -10.776 -12.414 -15.922 376 HD22 LEU 48 1HD2 LEU 48 -10.984 -10.701 -16.284 377 HD23 LEU 48 2HD2 LEU 48 -9.486 -11.520 -16.727 378 H GLY 49 H GLY 49 -14.744 -15.141 -18.569 379 HA2 GLY 49 1HA GLY 49 -15.080 -17.374 -19.521 380 HA3 GLY 49 2HA GLY 49 -13.345 -17.615 -19.377 381 H GLN 50 H GLN 50 -13.864 -16.050 -16.669 382 HA GLN 50 HA GLN 50 -14.493 -18.499 -15.161 383 HB2 GLN 50 1HB GLN 50 -12.669 -16.183 -14.567 384 HB3 GLN 50 2HB GLN 50 -13.246 -17.241 -13.286 385 HG2 GLN 50 1HG GLN 50 -12.233 -19.155 -14.372 386 HG3 GLN 50 2HG GLN 50 -11.708 -18.138 -15.712 387 HE21 GLN 50 2HE2 GLN 50 -11.620 -17.745 -12.188 388 HE22 GLN 50 1HE2 GLN 50 -9.918 -17.460 -12.091 389 H ASN 51 H ASN 51 -15.685 -18.283 -13.183 390 HA ASN 51 HA ASN 51 -17.205 -15.796 -12.881 391 HB2 ASN 51 1HB ASN 51 -19.285 -17.216 -12.532 392 HB3 ASN 51 2HB ASN 51 -18.706 -17.092 -14.191 393 HD21 ASN 51 2HD2 ASN 51 -19.580 -19.164 -11.693 394 HD22 ASN 51 1HD2 ASN 51 -19.052 -20.649 -12.401 395 HA PRO 52 HA PRO 52 -15.641 -17.613 -8.873 396 HB2 PRO 52 1HB PRO 52 -14.431 -15.338 -8.020 397 HB3 PRO 52 2HB PRO 52 -13.620 -16.534 -9.037 398 HG2 PRO 52 1HG PRO 52 -14.914 -13.950 -9.817 399 HG3 PRO 52 2HG PRO 52 -13.375 -14.640 -10.365 400 HD2 PRO 52 1HD PRO 52 -15.642 -14.783 -11.838 401 HD3 PRO 52 2HD PRO 52 -14.400 -16.051 -11.872 402 H THR 53 H THR 53 -16.349 -17.097 -6.751 403 HA THR 53 HA THR 53 -18.936 -16.105 -6.534 404 HB THR 53 HB THR 53 -18.034 -15.764 -3.994 405 HG1 THR 53 HG1 THR 53 -16.465 -17.497 -3.720 406 HG21 THR 53 3HG2 THR 53 -19.846 -17.246 -4.667 407 HG22 THR 53 1HG2 THR 53 -18.723 -18.098 -3.608 408 HG23 THR 53 2HG2 THR 53 -18.685 -18.385 -5.348 409 HA PRO 54 HA PRO 54 -18.667 -11.734 -6.235 410 HB2 PRO 54 1HB PRO 54 -20.502 -11.174 -4.315 411 HB3 PRO 54 2HB PRO 54 -20.945 -11.713 -5.939 412 HG2 PRO 54 1HG PRO 54 -20.762 -13.293 -3.403 413 HG3 PRO 54 2HG PRO 54 -22.005 -13.346 -4.667 414 HD2 PRO 54 1HD PRO 54 -20.026 -15.186 -4.493 415 HD3 PRO 54 2HD PRO 54 -20.727 -14.682 -6.044 416 H GLU 55 H GLU 55 -18.853 -13.219 -2.994 417 HA GLU 55 HA GLU 55 -17.583 -11.102 -1.640 418 HB2 GLU 55 1HB GLU 55 -17.908 -14.020 -0.947 419 HB3 GLU 55 2HB GLU 55 -17.176 -12.854 0.145 420 HG2 GLU 55 1HG GLU 55 -20.007 -12.972 -0.830 421 HG3 GLU 55 2HG GLU 55 -19.409 -13.046 0.826 422 H GLU 56 H GLU 56 -16.353 -13.851 -3.395 423 HA GLU 56 HA GLU 56 -13.718 -13.832 -2.370 424 HB2 GLU 56 1HB GLU 56 -14.854 -15.669 -3.724 425 HB3 GLU 56 2HB GLU 56 -14.500 -14.701 -5.148 426 HG2 GLU 56 1HG GLU 56 -12.060 -14.765 -4.091 427 HG3 GLU 56 2HG GLU 56 -12.688 -16.267 -3.416 428 H LEU 57 H LEU 57 -15.337 -11.964 -4.824 429 HA LEU 57 HA LEU 57 -13.123 -10.990 -6.232 430 HG LEU 57 HG LEU 57 -15.795 -11.833 -7.028 431 HB2 LEU 57 1HB LEU 57 -15.769 -9.670 -5.646 432 HB3 LEU 57 2HB LEU 57 -14.597 -9.087 -6.827 433 HD11 LEU 57 1HD1 LEU 57 -16.892 -9.357 -8.341 434 HD12 LEU 57 2HD1 LEU 57 -17.592 -10.097 -6.902 435 HD13 LEU 57 3HD1 LEU 57 -17.536 -10.997 -8.418 436 HD21 LEU 57 3HD2 LEU 57 -13.723 -10.835 -8.342 437 HD22 LEU 57 1HD2 LEU 57 -15.004 -10.139 -9.335 438 HD23 LEU 57 2HD2 LEU 57 -14.903 -11.888 -9.124 439 H GLN 58 H GLN 58 -14.900 -9.460 -3.543 440 HA GLN 58 HA GLN 58 -13.122 -7.296 -3.243 441 HB2 GLN 58 1HB GLN 58 -15.277 -7.049 -2.305 442 HB3 GLN 58 2HB GLN 58 -15.148 -8.556 -1.408 443 HG2 GLN 58 1HG GLN 58 -13.964 -7.618 0.278 444 HG3 GLN 58 2HG GLN 58 -13.172 -6.449 -0.779 445 HE21 GLN 58 2HE2 GLN 58 -14.078 -4.469 -1.091 446 HE22 GLN 58 1HE2 GLN 58 -15.472 -3.909 -0.237 447 H GLU 59 H GLU 59 -12.991 -10.579 -2.173 448 HA GLU 59 HA GLU 59 -11.281 -10.344 0.029 449 HB2 GLU 59 1HB GLU 59 -12.287 -12.454 -1.650 450 HB3 GLU 59 2HB GLU 59 -10.579 -12.713 -1.328 451 HG2 GLU 59 1HG GLU 59 -11.059 -12.461 1.097 452 HG3 GLU 59 2HG GLU 59 -12.775 -12.386 0.700 453 H MET 60 H MET 60 -10.478 -10.968 -3.387 454 HA MET 60 HA MET 60 -7.671 -10.846 -2.986 455 HB2 MET 60 1HB MET 60 -9.128 -11.817 -4.968 456 HB3 MET 60 2HB MET 60 -8.881 -10.212 -5.641 457 HG2 MET 60 1HG MET 60 -6.497 -11.641 -4.627 458 HG3 MET 60 2HG MET 60 -7.234 -12.236 -6.113 459 HE1 MET 60 3HE MET 60 -6.066 -9.979 -8.770 460 HE2 MET 60 1HE MET 60 -5.699 -11.586 -8.143 461 HE3 MET 60 2HE MET 60 -7.375 -11.053 -8.277 462 H ILE 61 H ILE 61 -10.123 -8.458 -3.571 463 HA ILE 61 HA ILE 61 -8.331 -6.384 -4.407 464 HB ILE 61 HB ILE 61 -11.181 -6.261 -3.419 465 HG12 ILE 61 1HG1 ILE 61 -9.999 -6.033 -6.196 466 HG13 ILE 61 2HG1 ILE 61 -10.868 -7.427 -5.564 467 HG21 ILE 61 1HG2 ILE 61 -11.186 -3.966 -4.352 468 HG22 ILE 61 2HG2 ILE 61 -10.123 -4.150 -2.958 469 HG23 ILE 61 3HG2 ILE 61 -9.443 -4.092 -4.583 470 HD11 ILE 61 3HD1 ILE 61 -12.756 -6.547 -6.288 471 HD12 ILE 61 1HD1 ILE 61 -12.528 -5.177 -5.203 472 HD13 ILE 61 2HD1 ILE 61 -11.895 -5.114 -6.848 473 H ASP 62 H ASP 62 -9.369 -7.664 -1.383 474 HA ASP 62 HA ASP 62 -8.964 -5.398 0.252 475 HB2 ASP 62 1HB ASP 62 -10.203 -7.325 1.063 476 HB3 ASP 62 2HB ASP 62 -8.775 -8.345 0.910 477 H GLU 63 H GLU 63 -6.828 -8.129 -0.552 478 HA GLU 63 HA GLU 63 -4.609 -7.106 0.908 479 HB2 GLU 63 1HB GLU 63 -5.243 -9.501 -0.387 480 HB3 GLU 63 2HB GLU 63 -3.859 -8.868 -1.267 481 HG2 GLU 63 1HG GLU 63 -3.932 -9.189 1.721 482 HG3 GLU 63 2HG GLU 63 -3.306 -10.410 0.614 483 H VAL 64 H VAL 64 -5.889 -6.521 -2.237 484 HA VAL 64 HA VAL 64 -3.446 -5.455 -3.341 485 HB VAL 64 HB VAL 64 -6.290 -5.335 -4.351 486 HG11 VAL 64 1HG1 VAL 64 -5.607 -3.775 -5.777 487 HG12 VAL 64 2HG1 VAL 64 -3.955 -3.873 -5.163 488 HG13 VAL 64 3HG1 VAL 64 -4.482 -4.950 -6.458 489 HG21 VAL 64 3HG2 VAL 64 -4.161 -6.888 -5.708 490 HG22 VAL 64 1HG2 VAL 64 -4.795 -7.533 -4.194 491 HG23 VAL 64 2HG2 VAL 64 -5.884 -7.227 -5.547 492 H ASP 65 H ASP 65 -6.513 -4.136 -2.138 493 HA ASP 65 HA ASP 65 -5.843 -1.420 -2.603 494 HB2 ASP 65 1HB ASP 65 -8.165 -2.481 -2.181 495 HB3 ASP 65 2HB ASP 65 -7.764 -2.326 -0.473 496 H GLU 66 H GLU 66 -3.988 -0.683 -1.728 497 HA GLU 66 HA GLU 66 -3.006 -1.445 0.819 498 HB2 GLU 66 1HB GLU 66 -1.278 0.147 0.471 499 HB3 GLU 66 2HB GLU 66 -1.644 -0.539 -1.105 500 HG2 GLU 66 1HG GLU 66 -2.999 1.426 -1.642 501 HG3 GLU 66 2HG GLU 66 -2.608 2.117 -0.069 502 H ASP 67 H ASP 67 -5.181 1.030 -0.266 503 HA ASP 67 HA ASP 67 -5.100 2.375 2.332 504 HB2 ASP 67 1HB ASP 67 -6.752 3.950 1.147 505 HB3 ASP 67 2HB ASP 67 -5.079 3.961 0.596 506 H GLY 68 H GLY 68 -6.740 -0.114 0.835 507 HA2 GLY 68 1HA GLY 68 -8.687 -1.242 1.295 508 HA3 GLY 68 2HA GLY 68 -8.494 -0.609 2.923 509 H SER 69 H SER 69 -9.077 1.201 -0.061 510 HA SER 69 HA SER 69 -11.170 2.707 1.168 511 HG SER 69 HG SER 69 -9.288 2.889 -2.312 512 HB2 SER 69 1HB SER 69 -11.426 3.701 -1.126 513 HB3 SER 69 2HB SER 69 -9.788 3.796 -0.479 514 H GLY 70 H GLY 70 -11.029 -0.212 -0.648 515 HA2 GLY 70 1HA GLY 70 -12.902 -1.716 -0.611 516 HA3 GLY 70 2HA GLY 70 -13.971 -0.320 -0.625 517 H THR 71 H THR 71 -11.437 0.160 -2.753 518 HA THR 71 HA THR 71 -12.636 -1.222 -5.004 519 HB THR 71 HB THR 71 -12.569 1.118 -6.244 520 HG1 THR 71 HG1 THR 71 -13.040 1.765 -3.512 521 HG21 THR 71 3HG2 THR 71 -14.756 0.721 -6.441 522 HG22 THR 71 1HG2 THR 71 -15.034 1.076 -4.737 523 HG23 THR 71 2HG2 THR 71 -14.566 -0.550 -5.234 524 H VAL 72 H VAL 72 -11.348 -1.052 -6.960 525 HA VAL 72 HA VAL 72 -8.514 -0.759 -6.324 526 HB VAL 72 HB VAL 72 -10.015 -2.121 -8.535 527 HG11 VAL 72 1HG1 VAL 72 -7.244 -1.050 -8.618 528 HG12 VAL 72 2HG1 VAL 72 -7.543 -2.642 -9.319 529 HG13 VAL 72 3HG1 VAL 72 -8.426 -1.235 -9.914 530 HG21 VAL 72 3HG2 VAL 72 -8.572 -2.889 -6.157 531 HG22 VAL 72 1HG2 VAL 72 -9.620 -3.854 -7.197 532 HG23 VAL 72 2HG2 VAL 72 -7.908 -3.684 -7.584 533 H ASP 73 H ASP 73 -7.301 0.879 -7.018 534 HA ASP 73 HA ASP 73 -8.517 2.842 -8.818 535 HB2 ASP 73 1HB ASP 73 -6.721 4.353 -8.035 536 HB3 ASP 73 2HB ASP 73 -7.686 3.718 -6.706 537 H PHE 74 H PHE 74 -6.461 4.100 -9.955 538 HA PHE 74 HA PHE 74 -5.784 2.521 -12.140 539 HD1 PHE 74 HD2 PHE 74 -4.183 2.485 -13.637 540 HD2 PHE 74 HD1 PHE 74 -5.433 6.550 -13.477 541 HE1 PHE 74 HE2 PHE 74 -4.103 2.603 -16.093 542 HE2 PHE 74 HE1 PHE 74 -5.356 6.674 -15.933 543 HZ PHE 74 HZ PHE 74 -4.690 4.699 -17.244 544 HB2 PHE 74 1HB PHE 74 -5.571 5.172 -11.547 545 HB3 PHE 74 2HB PHE 74 -3.880 4.683 -11.515 546 H ASP 75 H ASP 75 -3.671 3.543 -9.456 547 HA ASP 75 HA ASP 75 -1.413 2.095 -10.214 548 HB2 ASP 75 1HB ASP 75 -2.306 2.764 -7.401 549 HB3 ASP 75 2HB ASP 75 -0.669 2.343 -7.896 550 H GLU 76 H GLU 76 -3.782 1.197 -7.697 551 HA GLU 76 HA GLU 76 -2.854 -1.348 -7.170 552 HB2 GLU 76 1HB GLU 76 -5.559 -0.079 -7.003 553 HB3 GLU 76 2HB GLU 76 -5.399 -1.804 -6.704 554 HG2 GLU 76 1HG GLU 76 -4.272 -1.509 -4.754 555 HG3 GLU 76 2HG GLU 76 -3.550 0.014 -5.271 556 H TRP 77 H TRP 77 -5.003 -0.268 -9.747 557 HA TRP 77 HA TRP 77 -5.659 -2.860 -10.701 558 HD1 TRP 77 HD1 TRP 77 -8.695 -2.522 -12.065 559 HE1 TRP 77 HE1 TRP 77 -9.092 -3.625 -14.357 560 HE3 TRP 77 HE3 TRP 77 -4.345 -1.164 -14.382 561 HZ2 TRP 77 HZ2 TRP 77 -7.739 -3.885 -16.820 562 HZ3 TRP 77 HZ3 TRP 77 -3.974 -1.881 -16.706 563 HH2 TRP 77 HH2 TRP 77 -5.636 -3.214 -17.898 564 HB2 TRP 77 1HB TRP 77 -6.961 -0.768 -11.179 565 HB3 TRP 77 2HB TRP 77 -5.666 -0.273 -12.267 566 H LEU 78 H LEU 78 -3.032 -0.636 -11.320 567 HA LEU 78 HA LEU 78 -2.054 -1.987 -13.642 568 HG LEU 78 HG LEU 78 -1.182 -0.477 -14.901 569 HB2 LEU 78 1HB LEU 78 -1.386 0.350 -12.097 570 HB3 LEU 78 2HB LEU 78 0.063 -0.582 -12.469 571 HD11 LEU 78 1HD1 LEU 78 -1.665 2.011 -15.133 572 HD12 LEU 78 2HD1 LEU 78 -1.814 2.031 -13.376 573 HD13 LEU 78 3HD1 LEU 78 -2.894 1.024 -14.340 574 HD21 LEU 78 3HD2 LEU 78 0.526 1.173 -15.472 575 HD22 LEU 78 1HD2 LEU 78 1.187 -0.100 -14.445 576 HD23 LEU 78 2HD2 LEU 78 0.810 1.481 -13.758 577 H VAL 79 H VAL 79 -1.044 -1.883 -10.234 578 HA VAL 79 HA VAL 79 1.121 -3.651 -10.458 579 HB VAL 79 HB VAL 79 0.850 -4.012 -8.015 580 HG11 VAL 79 1HG1 VAL 79 1.392 -1.590 -9.392 581 HG12 VAL 79 2HG1 VAL 79 0.560 -1.192 -7.888 582 HG13 VAL 79 3HG1 VAL 79 2.041 -2.148 -7.850 583 HG21 VAL 79 3HG2 VAL 79 -1.566 -3.998 -7.866 584 HG22 VAL 79 1HG2 VAL 79 -0.899 -2.736 -6.830 585 HG23 VAL 79 2HG2 VAL 79 -1.617 -2.313 -8.385 586 H MET 80 H MET 80 -2.306 -4.210 -10.260 587 HA MET 80 HA MET 80 -2.447 -6.802 -9.332 588 HB2 MET 80 1HB MET 80 -4.089 -5.129 -11.136 589 HB3 MET 80 2HB MET 80 -4.358 -6.864 -11.243 590 HG2 MET 80 1HG MET 80 -4.523 -6.725 -8.653 591 HG3 MET 80 2HG MET 80 -4.820 -5.014 -8.952 592 HE1 MET 80 3HE MET 80 -7.803 -4.942 -11.222 593 HE2 MET 80 1HE MET 80 -6.059 -4.701 -11.341 594 HE3 MET 80 2HE MET 80 -6.808 -6.109 -12.095 595 H MET 81 H MET 81 -1.885 -5.717 -12.671 596 HA MET 81 HA MET 81 -1.664 -8.320 -13.763 597 HB2 MET 81 1HB MET 81 -1.859 -5.822 -14.818 598 HB3 MET 81 2HB MET 81 -0.156 -6.162 -15.093 599 HG2 MET 81 1HG MET 81 -1.236 -6.865 -17.037 600 HG3 MET 81 2HG MET 81 -0.912 -8.345 -16.136 601 HE1 MET 81 3HE MET 81 -3.197 -5.471 -16.263 602 HE2 MET 81 1HE MET 81 -4.555 -6.120 -17.183 603 HE3 MET 81 2HE MET 81 -4.622 -6.083 -15.421 604 H ALA 82 H ALA 82 0.755 -5.962 -12.672 605 HA ALA 82 HA ALA 82 3.050 -7.383 -13.369 606 HB1 ALA 82 1HB ALA 82 3.638 -6.041 -10.978 607 HB2 ALA 82 2HB ALA 82 3.911 -5.477 -12.627 608 HB3 ALA 82 3HB ALA 82 2.409 -5.073 -11.793 609 H ARG 83 H ARG 83 0.865 -7.767 -10.675 610 HA ARG 83 HA ARG 83 2.514 -9.296 -8.987 611 HE ARG 83 HE ARG 83 0.070 -10.178 -5.168 612 HB2 ARG 83 1HB ARG 83 0.486 -8.363 -8.116 613 HB3 ARG 83 2HB ARG 83 -0.484 -9.210 -9.313 614 HG2 ARG 83 1HG ARG 83 0.177 -11.354 -8.280 615 HG3 ARG 83 2HG ARG 83 1.046 -10.451 -7.037 616 HD2 ARG 83 1HD ARG 83 -1.532 -9.341 -7.166 617 HD3 ARG 83 2HD ARG 83 -1.746 -11.090 -7.205 618 HH11 ARG 83 1HH1 ARG 83 -3.253 -10.835 -5.970 619 HH12 ARG 83 2HH1 ARG 83 -3.741 -11.068 -4.323 620 HH21 ARG 83 1HH2 ARG 83 -0.559 -10.482 -2.996 621 HH22 ARG 83 2HH2 ARG 83 -2.208 -10.866 -2.633 622 H CYS 84 H CYS 84 0.829 -10.077 -11.900 623 HA CYS 84 HA CYS 84 0.685 -12.892 -11.529 624 HG CYS 84 HG CYS 84 0.211 -13.854 -15.214 625 HB2 CYS 84 1HB CYS 84 -0.575 -11.382 -13.226 626 HB3 CYS 84 2HB CYS 84 0.859 -11.578 -14.226 627 H MET 85 H MET 85 3.188 -10.720 -12.522 628 HA MET 85 HA MET 85 4.815 -12.715 -13.797 629 HB2 MET 85 1HB MET 85 5.478 -9.927 -12.836 630 HB3 MET 85 2HB MET 85 6.557 -10.943 -13.783 631 HG2 MET 85 1HG MET 85 4.491 -11.010 -15.418 632 HG3 MET 85 2HG MET 85 4.099 -9.499 -14.601 633 HE1 MET 85 3HE MET 85 5.589 -8.907 -18.200 634 HE2 MET 85 1HE MET 85 6.063 -10.583 -17.917 635 HE3 MET 85 2HE MET 85 4.445 -10.037 -17.474 636 H LYS 86 H LYS 86 4.526 -11.329 -10.596 637 HA LYS 86 HA LYS 86 5.674 -11.691 -8.646 638 HB2 LYS 86 1HB LYS 86 4.347 -13.890 -9.322 639 HB3 LYS 86 2HB LYS 86 5.972 -14.558 -9.415 640 HG2 LYS 86 1HG LYS 86 5.790 -14.950 -7.238 641 HG3 LYS 86 2HG LYS 86 5.972 -13.209 -7.010 642 HD2 LYS 86 1HD LYS 86 3.493 -12.999 -7.216 643 HD3 LYS 86 2HD LYS 86 3.396 -14.762 -7.242 644 HE2 LYS 86 1HE LYS 86 2.973 -13.828 -5.004 645 HE3 LYS 86 2HE LYS 86 4.385 -14.882 -5.038 646 HZ1 LYS 86 3HZ LYS 86 5.826 -13.072 -4.891 647 HZ2 LYS 86 1HZ LYS 86 4.589 -12.688 -3.803 648 HZ3 LYS 86 2HZ LYS 86 4.636 -11.951 -5.324 649 H ASP 87 H ASP 87 7.380 -10.850 -10.733 650 HA ASP 87 HA ASP 87 9.717 -12.489 -10.849 651 HB2 ASP 87 1HB ASP 87 8.883 -10.594 -12.468 652 HB3 ASP 87 2HB ASP 87 9.795 -9.544 -11.387 653 H ASP 88 H ASP 88 10.185 -12.909 -8.648 654 HA ASP 88 HA ASP 88 11.024 -10.633 -7.014 655 HB2 ASP 88 1HB ASP 88 11.122 -12.229 -5.164 656 HB3 ASP 88 2HB ASP 88 9.559 -12.315 -5.973 657 H SER 89 H SER 89 13.070 -10.012 -7.073 658 HA SER 89 HA SER 89 15.112 -11.754 -8.156 659 HG SER 89 HG SER 89 17.314 -9.254 -8.492 660 HB2 SER 89 1HB SER 89 15.256 -9.499 -8.890 661 HB3 SER 89 2HB SER 89 15.107 -8.876 -7.247 Start of MODEL 3 1 HA MET 1 HA MET 1 0.926 -2.340 -3.750 2 H1 MET 1 H MET 1 -0.234 -3.109 -1.154 3 HB2 MET 1 1HB MET 1 -0.575 -0.599 -2.625 4 HB3 MET 1 2HB MET 1 0.686 -0.462 -1.406 5 HG2 MET 1 1HG MET 1 2.273 0.269 -3.050 6 HG3 MET 1 2HG MET 1 1.117 -0.020 -4.349 7 HE1 MET 1 3HE MET 1 2.970 2.195 -2.936 8 HE2 MET 1 1HE MET 1 2.205 3.716 -3.396 9 HE3 MET 1 2HE MET 1 2.113 3.152 -1.728 10 H ASP 2 H ASP 2 2.581 -3.896 -3.410 11 HA ASP 2 HA ASP 2 4.416 -3.336 -1.187 12 HB2 ASP 2 1HB ASP 2 3.979 -5.746 -2.932 13 HB3 ASP 2 2HB ASP 2 5.469 -5.551 -2.013 14 H ASP 3 H ASP 3 6.701 -3.244 -1.599 15 HA ASP 3 HA ASP 3 7.352 -1.608 -3.823 16 HB2 ASP 3 1HB ASP 3 9.669 -1.763 -2.990 17 HB3 ASP 3 2HB ASP 3 8.531 -1.389 -1.698 18 H ILE 4 H ILE 4 7.428 -5.022 -3.267 19 HA ILE 4 HA ILE 4 9.313 -5.721 -5.268 20 HB ILE 4 HB ILE 4 8.760 -7.308 -3.531 21 HG12 ILE 4 1HG1 ILE 4 7.554 -8.720 -5.833 22 HG13 ILE 4 2HG1 ILE 4 9.090 -7.921 -6.152 23 HG21 ILE 4 1HG2 ILE 4 6.687 -7.725 -2.845 24 HG22 ILE 4 2HG2 ILE 4 6.137 -6.488 -3.975 25 HG23 ILE 4 3HG2 ILE 4 6.175 -8.180 -4.470 26 HD11 ILE 4 3HD1 ILE 4 10.238 -9.259 -4.654 27 HD12 ILE 4 1HD1 ILE 4 8.773 -9.723 -3.790 28 HD13 ILE 4 2HD1 ILE 4 9.094 -10.376 -5.397 29 H TYR 5 H TYR 5 5.871 -5.091 -5.298 30 HA TYR 5 HA TYR 5 5.538 -6.061 -8.004 31 HD1 TYR 5 HD2 TYR 5 4.547 -7.783 -7.893 32 HD2 TYR 5 HD1 TYR 5 2.335 -5.995 -4.729 33 HE1 TYR 5 HE2 TYR 5 3.947 -10.017 -7.058 34 HE2 TYR 5 HE1 TYR 5 1.730 -8.224 -3.884 35 HH TYR 5 HH TYR 5 3.058 -10.746 -4.234 36 HB2 TYR 5 1HB TYR 5 3.668 -4.647 -6.098 37 HB3 TYR 5 2HB TYR 5 3.210 -5.135 -7.726 38 H LYS 6 H LYS 6 5.638 -2.943 -6.334 39 HA LYS 6 HA LYS 6 5.110 -1.350 -8.611 40 HB2 LYS 6 1HB LYS 6 5.580 0.494 -7.261 41 HB3 LYS 6 2HB LYS 6 5.027 -0.714 -6.108 42 HG2 LYS 6 1HG LYS 6 6.864 -0.021 -4.996 43 HG3 LYS 6 2HG LYS 6 7.639 -1.232 -6.019 44 HD2 LYS 6 1HD LYS 6 8.714 0.321 -7.268 45 HD3 LYS 6 2HD LYS 6 7.379 1.472 -7.176 46 HE2 LYS 6 1HE LYS 6 8.092 2.337 -5.158 47 HE3 LYS 6 2HE LYS 6 8.986 0.879 -4.730 48 HZ1 LYS 6 3HZ LYS 6 10.219 3.029 -5.512 49 HZ2 LYS 6 1HZ LYS 6 9.870 2.430 -7.055 50 HZ3 LYS 6 2HZ LYS 6 10.778 1.500 -5.973 51 H ALA 7 H ALA 7 7.988 -2.853 -7.374 52 HA ALA 7 HA ALA 7 9.888 -1.279 -8.771 53 HB1 ALA 7 1HB ALA 7 9.944 -3.939 -7.419 54 HB2 ALA 7 2HB ALA 7 11.302 -3.447 -8.432 55 HB3 ALA 7 3HB ALA 7 10.838 -2.466 -7.042 56 H ALA 8 H ALA 8 8.710 -4.584 -9.435 57 HA ALA 8 HA ALA 8 9.926 -4.964 -11.884 58 HB1 ALA 8 1HB ALA 8 8.941 -6.923 -11.535 59 HB2 ALA 8 2HB ALA 8 7.808 -6.209 -10.387 60 HB3 ALA 8 3HB ALA 8 7.435 -6.209 -12.111 61 H VAL 9 H VAL 9 6.694 -3.607 -11.257 62 HA VAL 9 HA VAL 9 6.032 -3.117 -13.947 63 HB VAL 9 HB VAL 9 4.374 -3.127 -12.115 64 HG11 VAL 9 1HG1 VAL 9 5.543 -0.440 -11.400 65 HG12 VAL 9 2HG1 VAL 9 4.123 -1.190 -10.669 66 HG13 VAL 9 3HG1 VAL 9 5.716 -1.917 -10.453 67 HG21 VAL 9 3HG2 VAL 9 3.355 -2.182 -13.906 68 HG22 VAL 9 1HG2 VAL 9 3.369 -0.760 -12.864 69 HG23 VAL 9 2HG2 VAL 9 4.604 -0.953 -14.107 70 H GLU 10 H GLU 10 7.781 -1.221 -11.563 71 HA GLU 10 HA GLU 10 7.805 1.217 -12.998 72 HB2 GLU 10 1HB GLU 10 9.261 0.082 -10.678 73 HB3 GLU 10 2HB GLU 10 10.047 1.410 -11.521 74 HG2 GLU 10 1HG GLU 10 7.301 2.063 -11.107 75 HG3 GLU 10 2HG GLU 10 8.012 1.535 -9.583 76 H GLN 11 H GLN 11 9.535 -1.721 -13.372 77 HA GLN 11 HA GLN 11 11.689 -0.500 -14.896 78 HB2 GLN 11 1HB GLN 11 11.160 -3.445 -14.525 79 HB3 GLN 11 2HB GLN 11 12.672 -2.673 -14.982 80 HG2 GLN 11 1HG GLN 11 12.091 -1.508 -12.563 81 HG3 GLN 11 2HG GLN 11 11.548 -3.172 -12.350 82 HE21 GLN 11 2HE2 GLN 11 13.100 -4.869 -12.880 83 HE22 GLN 11 1HE2 GLN 11 14.779 -4.581 -12.592 84 H LEU 12 H LEU 12 8.570 -1.270 -15.520 85 HA LEU 12 HA LEU 12 8.748 -2.629 -18.003 86 HG LEU 12 HG LEU 12 6.947 -3.149 -15.708 87 HB2 LEU 12 1HB LEU 12 6.595 -0.923 -16.776 88 HB3 LEU 12 2HB LEU 12 6.408 -1.746 -18.323 89 HD11 LEU 12 1HD1 LEU 12 4.742 -1.920 -15.851 90 HD12 LEU 12 2HD1 LEU 12 4.648 -3.658 -15.564 91 HD13 LEU 12 3HD1 LEU 12 4.325 -3.011 -17.173 92 HD21 LEU 12 3HD2 LEU 12 6.223 -4.112 -18.469 93 HD22 LEU 12 1HD2 LEU 12 6.138 -5.119 -17.024 94 HD23 LEU 12 2HD2 LEU 12 7.689 -4.465 -17.552 95 H THR 13 H THR 13 7.741 -1.537 -20.026 96 HA THR 13 HA THR 13 9.302 0.896 -20.526 97 HB THR 13 HB THR 13 9.709 -1.021 -22.029 98 HG1 THR 13 HG1 THR 13 9.477 0.208 -23.958 99 HG21 THR 13 3HG2 THR 13 8.020 -1.751 -23.601 100 HG22 THR 13 1HG2 THR 13 6.863 -0.594 -22.944 101 HG23 THR 13 2HG2 THR 13 7.412 -1.949 -21.958 102 H GLU 14 H GLU 14 8.326 2.492 -22.053 103 HA GLU 14 HA GLU 14 6.017 3.614 -21.032 104 HB2 GLU 14 1HB GLU 14 7.099 3.923 -23.839 105 HB3 GLU 14 2HB GLU 14 5.971 5.016 -23.048 106 HG2 GLU 14 1HG GLU 14 7.702 5.474 -21.333 107 HG3 GLU 14 2HG GLU 14 8.827 4.487 -22.264 108 H GLU 15 H GLU 15 6.391 1.238 -23.580 109 HA GLU 15 HA GLU 15 3.815 1.378 -24.685 110 HB2 GLU 15 1HB GLU 15 5.611 -1.043 -24.449 111 HB3 GLU 15 2HB GLU 15 4.253 -0.868 -25.552 112 HG2 GLU 15 1HG GLU 15 5.415 1.002 -26.648 113 HG3 GLU 15 2HG GLU 15 6.791 0.749 -25.576 114 H GLN 16 H GLN 16 5.106 -0.627 -22.055 115 HA GLN 16 HA GLN 16 2.762 -2.084 -21.547 116 HB2 GLN 16 1HB GLN 16 4.949 -1.308 -19.608 117 HB3 GLN 16 2HB GLN 16 3.763 -2.582 -19.360 118 HG2 GLN 16 1HG GLN 16 5.433 -2.718 -21.803 119 HG3 GLN 16 2HG GLN 16 6.204 -3.069 -20.256 120 HE21 GLN 16 2HE2 GLN 16 6.110 -5.025 -22.086 121 HE22 GLN 16 1HE2 GLN 16 4.971 -6.241 -21.631 122 H LYS 17 H LYS 17 3.988 0.913 -20.088 123 HA LYS 17 HA LYS 17 1.892 1.270 -18.249 124 HB2 LYS 17 1HB LYS 17 4.003 2.997 -19.433 125 HB3 LYS 17 2HB LYS 17 2.645 3.804 -18.659 126 HG2 LYS 17 1HG LYS 17 4.077 3.631 -16.895 127 HG3 LYS 17 2HG LYS 17 3.175 2.125 -16.709 128 HD2 LYS 17 1HD LYS 17 4.943 0.918 -17.891 129 HD3 LYS 17 2HD LYS 17 5.841 2.424 -18.096 130 HE2 LYS 17 1HE LYS 17 5.089 1.222 -15.434 131 HE3 LYS 17 2HE LYS 17 6.655 1.018 -16.216 132 HZ1 LYS 17 3HZ LYS 17 5.605 3.278 -14.772 133 HZ2 LYS 17 1HZ LYS 17 6.335 3.693 -16.241 134 HZ3 LYS 17 2HZ LYS 17 7.210 2.837 -15.073 135 H ASN 18 H ASN 18 2.221 2.119 -21.634 136 HA ASN 18 HA ASN 18 -0.004 3.859 -21.791 137 HB2 ASN 18 1HB ASN 18 1.824 2.534 -23.666 138 HB3 ASN 18 2HB ASN 18 0.201 2.770 -24.308 139 HD21 ASN 18 2HD2 ASN 18 2.821 4.025 -24.938 140 HD22 ASN 18 1HD2 ASN 18 2.543 5.726 -24.811 141 H GLU 19 H GLU 19 0.367 0.379 -22.335 142 HA GLU 19 HA GLU 19 -2.303 -0.066 -23.177 143 HB2 GLU 19 1HB GLU 19 -0.072 -1.817 -22.219 144 HB3 GLU 19 2HB GLU 19 -1.688 -2.488 -22.381 145 HG2 GLU 19 1HG GLU 19 -0.238 -1.080 -24.606 146 HG3 GLU 19 2HG GLU 19 -0.194 -2.824 -24.352 147 H PHE 20 H PHE 20 -0.680 -0.304 -20.041 148 HA PHE 20 HA PHE 20 -2.889 -1.336 -18.615 149 HD1 PHE 20 HD1 PHE 20 -1.548 -2.663 -19.244 150 HD2 PHE 20 HD2 PHE 20 0.629 -1.484 -15.782 151 HE1 PHE 20 HE1 PHE 20 -0.479 -4.878 -19.166 152 HE2 PHE 20 HE2 PHE 20 1.702 -3.697 -15.699 153 HZ PHE 20 HZ PHE 20 1.149 -5.397 -17.393 154 HB2 PHE 20 1HB PHE 20 -0.416 0.160 -17.757 155 HB3 PHE 20 2HB PHE 20 -1.629 -0.383 -16.602 156 H LYS 21 H LYS 21 -1.921 1.902 -19.500 157 HA LYS 21 HA LYS 21 -3.752 3.228 -17.738 158 HB2 LYS 21 1HB LYS 21 -1.736 4.364 -18.492 159 HB3 LYS 21 2HB LYS 21 -2.250 4.220 -20.168 160 HG2 LYS 21 1HG LYS 21 -4.280 5.595 -19.505 161 HG3 LYS 21 2HG LYS 21 -3.419 5.938 -18.002 162 HD2 LYS 21 1HD LYS 21 -1.553 6.867 -19.291 163 HD3 LYS 21 2HD LYS 21 -2.421 6.529 -20.790 164 HE2 LYS 21 1HE LYS 21 -3.705 8.189 -18.661 165 HE3 LYS 21 2HE LYS 21 -2.510 8.913 -19.736 166 HZ1 LYS 21 3HZ LYS 21 -3.941 7.913 -21.589 167 HZ2 LYS 21 1HZ LYS 21 -4.515 9.295 -20.800 168 HZ3 LYS 21 2HZ LYS 21 -5.146 7.775 -20.410 169 H ALA 22 H ALA 22 -3.725 2.435 -21.196 170 HA ALA 22 HA ALA 22 -6.243 3.630 -21.754 171 HB1 ALA 22 1HB ALA 22 -5.697 3.201 -23.867 172 HB2 ALA 22 2HB ALA 22 -4.183 2.536 -23.254 173 HB3 ALA 22 3HB ALA 22 -5.556 1.471 -23.553 174 H ALA 23 H ALA 23 -5.238 0.249 -21.265 175 HA ALA 23 HA ALA 23 -7.733 -0.948 -21.574 176 HB1 ALA 23 1HB ALA 23 -6.737 -2.728 -20.011 177 HB2 ALA 23 2HB ALA 23 -5.916 -2.405 -21.538 178 HB3 ALA 23 3HB ALA 23 -5.282 -1.731 -20.037 179 H PHE 24 H PHE 24 -6.479 0.948 -18.979 180 HA PHE 24 HA PHE 24 -8.206 -0.006 -16.928 181 HD1 PHE 24 HD2 PHE 24 -7.580 0.429 -14.331 182 HD2 PHE 24 HD1 PHE 24 -7.880 4.268 -16.144 183 HE1 PHE 24 HE2 PHE 24 -8.627 1.310 -12.285 184 HE2 PHE 24 HE1 PHE 24 -8.926 5.155 -14.101 185 HZ PHE 24 HZ PHE 24 -9.302 3.675 -12.168 186 HB2 PHE 24 1HB PHE 24 -6.172 1.153 -16.329 187 HB3 PHE 24 2HB PHE 24 -6.681 2.588 -17.212 188 H ASP 25 H ASP 25 -8.480 2.404 -19.436 189 HA ASP 25 HA ASP 25 -10.717 3.793 -18.402 190 HB2 ASP 25 1HB ASP 25 -9.213 4.620 -20.229 191 HB3 ASP 25 2HB ASP 25 -9.965 3.450 -21.310 192 H ILE 26 H ILE 26 -10.400 0.994 -20.535 193 HA ILE 26 HA ILE 26 -13.142 0.755 -21.175 194 HB ILE 26 HB ILE 26 -10.997 -1.371 -21.122 195 HG12 ILE 26 1HG1 ILE 26 -11.615 -0.784 -23.750 196 HG13 ILE 26 2HG1 ILE 26 -11.675 0.793 -22.971 197 HG21 ILE 26 1HG2 ILE 26 -13.067 -2.504 -21.074 198 HG22 ILE 26 2HG2 ILE 26 -13.795 -1.379 -22.220 199 HG23 ILE 26 3HG2 ILE 26 -12.554 -2.509 -22.761 200 HD11 ILE 26 3HD1 ILE 26 -9.482 0.578 -23.724 201 HD12 ILE 26 1HD1 ILE 26 -9.394 0.206 -22.003 202 HD13 ILE 26 2HD1 ILE 26 -9.366 -1.099 -23.189 203 H PHE 27 H PHE 27 -11.256 -0.225 -18.426 204 HA PHE 27 HA PHE 27 -13.211 -2.078 -17.414 205 HD1 PHE 27 HD2 PHE 27 -10.623 -2.444 -18.777 206 HD2 PHE 27 HD1 PHE 27 -10.998 -3.859 -14.781 207 HE1 PHE 27 HE2 PHE 27 -9.722 -4.626 -19.469 208 HE2 PHE 27 HE1 PHE 27 -10.096 -6.044 -15.466 209 HZ PHE 27 HZ PHE 27 -9.459 -6.430 -17.813 210 HB2 PHE 27 1HB PHE 27 -10.630 -0.943 -16.403 211 HB3 PHE 27 2HB PHE 27 -11.719 -1.746 -15.277 212 H VAL 28 H VAL 28 -12.252 1.257 -16.739 213 HA VAL 28 HA VAL 28 -14.241 1.539 -14.652 214 HB VAL 28 HB VAL 28 -13.464 3.831 -14.446 215 HG11 VAL 28 1HG1 VAL 28 -10.813 2.763 -14.679 216 HG12 VAL 28 2HG1 VAL 28 -11.763 3.088 -13.227 217 HG13 VAL 28 3HG1 VAL 28 -11.904 1.532 -14.046 218 HG21 VAL 28 3HG2 VAL 28 -12.029 3.217 -17.008 219 HG22 VAL 28 1HG2 VAL 28 -13.087 4.576 -16.626 220 HG23 VAL 28 2HG2 VAL 28 -11.471 4.493 -15.925 221 H LEU 29 H LEU 29 -14.559 1.307 -17.837 222 HA LEU 29 HA LEU 29 -15.937 3.549 -18.728 223 HG LEU 29 HG LEU 29 -14.473 2.448 -20.736 224 HB2 LEU 29 1HB LEU 29 -15.716 0.737 -19.510 225 HB3 LEU 29 2HB LEU 29 -17.235 1.494 -19.982 226 HD11 LEU 29 1HD1 LEU 29 -16.618 1.224 -22.459 227 HD12 LEU 29 2HD1 LEU 29 -15.221 0.348 -21.835 228 HD13 LEU 29 3HD1 LEU 29 -14.991 1.695 -22.949 229 HD21 LEU 29 3HD2 LEU 29 -15.861 4.356 -20.588 230 HD22 LEU 29 1HD2 LEU 29 -17.222 3.514 -21.329 231 HD23 LEU 29 2HD2 LEU 29 -15.805 3.922 -22.297 232 H GLY 30 H GLY 30 -16.917 1.066 -16.529 233 HA2 GLY 30 1HA GLY 30 -19.742 1.735 -16.747 234 HA3 GLY 30 2HA GLY 30 -19.037 0.513 -15.700 235 H ALA 31 H ALA 31 -17.026 2.480 -14.703 236 HA ALA 31 HA ALA 31 -18.559 3.440 -12.490 237 HB1 ALA 31 1HB ALA 31 -16.512 3.016 -11.671 238 HB2 ALA 31 2HB ALA 31 -15.721 3.288 -13.224 239 HB3 ALA 31 3HB ALA 31 -16.152 4.659 -12.201 240 H GLU 32 H GLU 32 -18.319 5.750 -11.733 241 HA GLU 32 HA GLU 32 -18.829 7.545 -14.006 242 HB2 GLU 32 1HB GLU 32 -19.693 7.807 -11.120 243 HB3 GLU 32 2HB GLU 32 -20.083 8.937 -12.409 244 HG2 GLU 32 1HG GLU 32 -21.484 7.390 -13.486 245 HG3 GLU 32 2HG GLU 32 -20.866 6.044 -12.530 246 H ASP 33 H ASP 33 -16.847 7.024 -11.211 247 HA ASP 33 HA ASP 33 -15.640 9.680 -11.451 248 HB2 ASP 33 1HB ASP 33 -15.273 7.497 -9.389 249 HB3 ASP 33 2HB ASP 33 -14.416 9.036 -9.371 250 H GLY 34 H GLY 34 -14.977 6.295 -11.994 251 HA2 GLY 34 1HA GLY 34 -13.363 5.827 -13.792 252 HA3 GLY 34 2HA GLY 34 -12.336 7.061 -13.077 253 H CYS 35 H CYS 35 -14.102 4.272 -11.733 254 HA CYS 35 HA CYS 35 -11.561 3.079 -10.932 255 HG CYS 35 HG CYS 35 -12.068 5.225 -7.431 256 HB2 CYS 35 1HB CYS 35 -13.802 3.658 -8.984 257 HB3 CYS 35 2HB CYS 35 -12.348 2.737 -8.621 258 H ILE 36 H ILE 36 -12.074 0.895 -9.763 259 HA ILE 36 HA ILE 36 -14.345 -0.402 -11.116 260 HB ILE 36 HB ILE 36 -11.571 -1.561 -10.817 261 HG12 ILE 36 1HG1 ILE 36 -12.602 -1.434 -13.509 262 HG13 ILE 36 2HG1 ILE 36 -12.621 0.167 -12.777 263 HG21 ILE 36 1HG2 ILE 36 -14.194 -2.722 -11.566 264 HG22 ILE 36 2HG2 ILE 36 -12.778 -3.254 -12.471 265 HG23 ILE 36 3HG2 ILE 36 -12.831 -3.452 -10.719 266 HD11 ILE 36 3HD1 ILE 36 -10.410 -1.363 -13.789 267 HD12 ILE 36 1HD1 ILE 36 -10.484 0.335 -13.319 268 HD13 ILE 36 2HD1 ILE 36 -10.141 -0.901 -12.108 269 H SER 37 H SER 37 -15.698 -1.142 -9.630 270 HA SER 37 HA SER 37 -14.743 -1.782 -6.958 271 HG SER 37 HG SER 37 -17.462 -2.688 -5.886 272 HB2 SER 37 1HB SER 37 -16.860 -0.433 -7.452 273 HB3 SER 37 2HB SER 37 -17.594 -1.963 -7.932 274 H THR 38 H THR 38 -15.214 -3.777 -5.906 275 HA THR 38 HA THR 38 -14.554 -6.059 -7.355 276 HB THR 38 HB THR 38 -14.189 -6.115 -5.013 277 HG1 THR 38 HG1 THR 38 -15.261 -8.048 -4.465 278 HG21 THR 38 3HG2 THR 38 -15.552 -4.990 -3.655 279 HG22 THR 38 1HG2 THR 38 -16.717 -6.304 -3.811 280 HG23 THR 38 2HG2 THR 38 -16.803 -4.916 -4.896 281 H LYS 39 H LYS 39 -17.607 -4.518 -6.911 282 HA LYS 39 HA LYS 39 -19.289 -6.744 -7.418 283 HB2 LYS 39 1HB LYS 39 -19.831 -4.357 -6.474 284 HB3 LYS 39 2HB LYS 39 -20.069 -3.952 -8.169 285 HG2 LYS 39 1HG LYS 39 -21.444 -6.336 -7.020 286 HG3 LYS 39 2HG LYS 39 -22.078 -4.719 -6.707 287 HD2 LYS 39 1HD LYS 39 -22.101 -4.321 -9.164 288 HD3 LYS 39 2HD LYS 39 -21.625 -6.004 -9.399 289 HE2 LYS 39 1HE LYS 39 -23.701 -6.525 -7.930 290 HE3 LYS 39 2HE LYS 39 -24.200 -4.889 -8.355 291 HZ1 LYS 39 3HZ LYS 39 -23.548 -7.036 -10.301 292 HZ2 LYS 39 1HZ LYS 39 -24.081 -5.477 -10.682 293 HZ3 LYS 39 2HZ LYS 39 -25.110 -6.547 -9.873 294 H GLU 40 H GLU 40 -18.287 -4.049 -9.532 295 HA GLU 40 HA GLU 40 -19.335 -5.319 -11.876 296 HB2 GLU 40 1HB GLU 40 -17.362 -3.043 -11.837 297 HB3 GLU 40 2HB GLU 40 -18.551 -3.428 -13.074 298 HG2 GLU 40 1HG GLU 40 -19.106 -2.383 -10.308 299 HG3 GLU 40 2HG GLU 40 -19.266 -1.502 -11.826 300 H LEU 41 H LEU 41 -16.263 -5.221 -10.251 301 HA LEU 41 HA LEU 41 -14.587 -6.016 -12.354 302 HG LEU 41 HG LEU 41 -12.745 -8.002 -10.285 303 HB2 LEU 41 1HB LEU 41 -13.726 -5.167 -10.252 304 HB3 LEU 41 2HB LEU 41 -14.374 -6.565 -9.398 305 HD11 LEU 41 1HD1 LEU 41 -12.590 -5.980 -12.421 306 HD12 LEU 41 2HD1 LEU 41 -12.447 -7.736 -12.501 307 HD13 LEU 41 3HD1 LEU 41 -11.069 -6.761 -11.989 308 HD21 LEU 41 3HD2 LEU 41 -11.571 -5.317 -9.610 309 HD22 LEU 41 1HD2 LEU 41 -10.577 -6.749 -9.878 310 HD23 LEU 41 2HD2 LEU 41 -11.757 -6.728 -8.567 311 H GLY 42 H GLY 42 -16.770 -7.817 -10.309 312 HA2 GLY 42 1HA GLY 42 -15.756 -10.407 -10.787 313 HA3 GLY 42 2HA GLY 42 -17.401 -10.025 -10.300 314 H LYS 43 H LYS 43 -17.711 -8.293 -12.729 315 HA LYS 43 HA LYS 43 -18.813 -10.287 -14.431 316 HB2 LYS 43 1HB LYS 43 -18.767 -7.371 -14.286 317 HB3 LYS 43 2HB LYS 43 -18.713 -7.968 -15.939 318 HG2 LYS 43 1HG LYS 43 -20.700 -9.454 -15.219 319 HG3 LYS 43 2HG LYS 43 -20.846 -8.319 -13.875 320 HD2 LYS 43 1HD LYS 43 -20.790 -6.494 -15.692 321 HD3 LYS 43 2HD LYS 43 -21.142 -7.808 -16.817 322 HE2 LYS 43 1HE LYS 43 -23.262 -7.080 -16.305 323 HE3 LYS 43 2HE LYS 43 -23.045 -8.361 -15.113 324 HZ1 LYS 43 3HZ LYS 43 -22.208 -6.486 -13.613 325 HZ2 LYS 43 1HZ LYS 43 -23.874 -6.592 -13.890 326 HZ3 LYS 43 2HZ LYS 43 -22.951 -5.439 -14.714 327 H VAL 44 H VAL 44 -16.083 -8.033 -14.824 328 HA VAL 44 HA VAL 44 -15.244 -8.819 -17.344 329 HB VAL 44 HB VAL 44 -14.346 -6.975 -15.650 330 HG11 VAL 44 1HG1 VAL 44 -12.306 -7.471 -14.614 331 HG12 VAL 44 2HG1 VAL 44 -13.333 -8.858 -14.246 332 HG13 VAL 44 3HG1 VAL 44 -12.113 -8.975 -15.515 333 HG21 VAL 44 3HG2 VAL 44 -12.099 -7.297 -17.171 334 HG22 VAL 44 1HG2 VAL 44 -13.304 -8.195 -18.095 335 HG23 VAL 44 2HG2 VAL 44 -13.579 -6.498 -17.703 336 H MET 45 H MET 45 -14.904 -10.440 -14.294 337 HA MET 45 HA MET 45 -12.754 -12.142 -14.884 338 HB2 MET 45 1HB MET 45 -15.148 -12.667 -13.113 339 HB3 MET 45 2HB MET 45 -13.646 -13.582 -13.096 340 HG2 MET 45 1HG MET 45 -13.312 -10.694 -12.749 341 HG3 MET 45 2HG MET 45 -14.223 -11.490 -11.467 342 HE1 MET 45 3HE MET 45 -11.093 -11.881 -13.721 343 HE2 MET 45 1HE MET 45 -10.017 -12.879 -12.742 344 HE3 MET 45 2HE MET 45 -11.482 -13.578 -13.432 345 H ARG 46 H ARG 46 -16.207 -12.422 -15.545 346 HA ARG 46 HA ARG 46 -16.259 -15.082 -16.406 347 HE ARG 46 HE ARG 46 -20.549 -14.171 -14.061 348 HB2 ARG 46 1HB ARG 46 -17.950 -12.800 -17.443 349 HB3 ARG 46 2HB ARG 46 -18.336 -14.513 -17.536 350 HG2 ARG 46 1HG ARG 46 -17.899 -13.189 -14.890 351 HG3 ARG 46 2HG ARG 46 -19.454 -13.077 -15.718 352 HD2 ARG 46 1HD ARG 46 -18.992 -15.726 -15.914 353 HD3 ARG 46 2HD ARG 46 -18.162 -15.376 -14.399 354 HH11 ARG 46 1HH1 ARG 46 -19.638 -17.377 -15.067 355 HH12 ARG 46 2HH1 ARG 46 -21.058 -18.126 -14.415 356 HH21 ARG 46 1HH2 ARG 46 -22.422 -15.145 -13.198 357 HH22 ARG 46 2HH2 ARG 46 -22.641 -16.856 -13.353 358 H MET 47 H MET 47 -15.601 -12.093 -18.188 359 HA MET 47 HA MET 47 -15.403 -13.292 -20.741 360 HB2 MET 47 1HB MET 47 -14.047 -10.766 -19.785 361 HB3 MET 47 2HB MET 47 -14.387 -11.211 -21.452 362 HG2 MET 47 1HG MET 47 -16.486 -10.713 -19.355 363 HG3 MET 47 2HG MET 47 -15.937 -9.523 -20.533 364 HE1 MET 47 3HE MET 47 -19.529 -10.674 -20.987 365 HE2 MET 47 1HE MET 47 -19.100 -12.306 -20.472 366 HE3 MET 47 2HE MET 47 -18.538 -10.914 -19.546 367 H LEU 48 H LEU 48 -13.125 -12.828 -18.125 368 HA LEU 48 HA LEU 48 -10.776 -13.416 -19.609 369 HG LEU 48 HG LEU 48 -11.381 -11.270 -17.380 370 HB2 LEU 48 1HB LEU 48 -11.374 -13.572 -16.661 371 HB3 LEU 48 2HB LEU 48 -9.773 -13.821 -17.354 372 HD11 LEU 48 1HD1 LEU 48 -9.960 -12.223 -15.334 373 HD12 LEU 48 2HD1 LEU 48 -10.044 -10.505 -15.722 374 HD13 LEU 48 3HD1 LEU 48 -8.657 -11.460 -16.245 375 HD21 LEU 48 3HD2 LEU 48 -8.709 -11.901 -18.628 376 HD22 LEU 48 1HD2 LEU 48 -9.389 -10.283 -18.453 377 HD23 LEU 48 2HD2 LEU 48 -10.196 -11.473 -19.475 378 H GLY 49 H GLY 49 -13.248 -15.358 -18.162 379 HA2 GLY 49 1HA GLY 49 -13.455 -17.634 -19.045 380 HA3 GLY 49 2HA GLY 49 -11.709 -17.770 -18.897 381 H GLN 50 H GLN 50 -13.111 -16.107 -16.307 382 HA GLN 50 HA GLN 50 -13.325 -18.559 -14.703 383 HB2 GLN 50 1HB GLN 50 -11.766 -16.070 -14.000 384 HB3 GLN 50 2HB GLN 50 -12.182 -17.319 -12.834 385 HG2 GLN 50 1HG GLN 50 -10.881 -18.944 -14.032 386 HG3 GLN 50 2HG GLN 50 -10.565 -17.790 -15.327 387 HE21 GLN 50 2HE2 GLN 50 -10.452 -17.497 -11.797 388 HE22 GLN 50 1HE2 GLN 50 -8.806 -16.977 -11.720 389 H ASN 51 H ASN 51 -14.606 -18.354 -12.781 390 HA ASN 51 HA ASN 51 -16.286 -15.958 -12.625 391 HB2 ASN 51 1HB ASN 51 -17.575 -18.656 -12.397 392 HB3 ASN 51 2HB ASN 51 -18.310 -17.102 -12.780 393 HD21 ASN 51 2HD2 ASN 51 -17.934 -19.918 -14.078 394 HD22 ASN 51 1HD2 ASN 51 -17.603 -19.521 -15.727 395 HA PRO 52 HA PRO 52 -14.771 -17.537 -8.499 396 HB2 PRO 52 1HB PRO 52 -13.729 -15.165 -7.687 397 HB3 PRO 52 2HB PRO 52 -12.811 -16.345 -8.629 398 HG2 PRO 52 1HG PRO 52 -14.223 -13.872 -9.551 399 HG3 PRO 52 2HG PRO 52 -12.627 -14.488 -10.016 400 HD2 PRO 52 1HD PRO 52 -14.823 -14.817 -11.565 401 HD3 PRO 52 2HD PRO 52 -13.509 -16.009 -11.506 402 H THR 53 H THR 53 -15.375 -16.691 -6.338 403 HA THR 53 HA THR 53 -18.100 -15.834 -6.330 404 HB THR 53 HB THR 53 -17.500 -15.651 -3.740 405 HG1 THR 53 HG1 THR 53 -15.828 -17.330 -3.391 406 HG21 THR 53 3HG2 THR 53 -19.064 -17.253 -4.685 407 HG22 THR 53 1HG2 THR 53 -17.995 -18.061 -3.540 408 HG23 THR 53 2HG2 THR 53 -17.729 -18.243 -5.275 409 HA PRO 54 HA PRO 54 -17.746 -11.488 -5.840 410 HB2 PRO 54 1HB PRO 54 -19.695 -10.952 -4.028 411 HB3 PRO 54 2HB PRO 54 -20.039 -11.416 -5.698 412 HG2 PRO 54 1HG PRO 54 -20.069 -13.096 -3.221 413 HG3 PRO 54 2HG PRO 54 -21.223 -13.067 -4.567 414 HD2 PRO 54 1HD PRO 54 -19.306 -14.965 -4.332 415 HD3 PRO 54 2HD PRO 54 -19.886 -14.384 -5.906 416 H GLU 55 H GLU 55 -18.190 -13.091 -2.681 417 HA GLU 55 HA GLU 55 -16.962 -11.060 -1.162 418 HB2 GLU 55 1HB GLU 55 -17.417 -13.991 -0.607 419 HB3 GLU 55 2HB GLU 55 -16.726 -12.890 0.577 420 HG2 GLU 55 1HG GLU 55 -19.486 -12.871 -0.592 421 HG3 GLU 55 2HG GLU 55 -19.008 -13.042 1.096 422 H GLU 56 H GLU 56 -15.694 -13.872 -2.828 423 HA GLU 56 HA GLU 56 -13.123 -13.870 -1.653 424 HB2 GLU 56 1HB GLU 56 -14.112 -15.769 -2.936 425 HB3 GLU 56 2HB GLU 56 -13.891 -14.838 -4.411 426 HG2 GLU 56 1HG GLU 56 -12.056 -16.247 -4.379 427 HG3 GLU 56 2HG GLU 56 -11.419 -14.732 -3.740 428 H LEU 57 H LEU 57 -14.507 -12.182 -4.406 429 HA LEU 57 HA LEU 57 -12.171 -11.244 -5.604 430 HG LEU 57 HG LEU 57 -14.085 -12.086 -7.099 431 HB2 LEU 57 1HB LEU 57 -14.973 -10.206 -5.455 432 HB3 LEU 57 2HB LEU 57 -13.716 -9.259 -6.247 433 HD11 LEU 57 1HD1 LEU 57 -15.758 -10.133 -8.518 434 HD12 LEU 57 2HD1 LEU 57 -16.323 -10.579 -6.908 435 HD13 LEU 57 3HD1 LEU 57 -16.064 -11.826 -8.127 436 HD21 LEU 57 3HD2 LEU 57 -13.851 -10.030 -9.121 437 HD22 LEU 57 1HD2 LEU 57 -12.819 -11.425 -8.805 438 HD23 LEU 57 2HD2 LEU 57 -12.559 -9.919 -7.925 439 H GLN 58 H GLN 58 -14.240 -9.581 -3.221 440 HA GLN 58 HA GLN 58 -12.630 -7.330 -2.877 441 HB2 GLN 58 1HB GLN 58 -14.836 -7.254 -2.016 442 HB3 GLN 58 2HB GLN 58 -14.591 -8.703 -1.049 443 HG2 GLN 58 1HG GLN 58 -13.611 -7.581 0.636 444 HG3 GLN 58 2HG GLN 58 -12.805 -6.444 -0.443 445 HE21 GLN 58 2HE2 GLN 58 -13.709 -4.500 -0.823 446 HE22 GLN 58 1HE2 GLN 58 -15.199 -3.964 -0.132 447 H GLU 59 H GLU 59 -12.255 -10.559 -1.708 448 HA GLU 59 HA GLU 59 -10.645 -10.118 0.538 449 HB2 GLU 59 1HB GLU 59 -11.694 -12.310 -0.389 450 HB3 GLU 59 2HB GLU 59 -10.200 -12.443 -1.307 451 HG2 GLU 59 1HG GLU 59 -10.193 -12.060 1.665 452 HG3 GLU 59 2HG GLU 59 -10.341 -13.656 0.930 453 H MET 60 H MET 60 -9.663 -10.825 -2.817 454 HA MET 60 HA MET 60 -6.898 -10.412 -2.326 455 HB2 MET 60 1HB MET 60 -6.578 -10.765 -4.617 456 HB3 MET 60 2HB MET 60 -8.015 -11.709 -4.248 457 HG2 MET 60 1HG MET 60 -9.140 -9.359 -4.938 458 HG3 MET 60 2HG MET 60 -7.692 -9.331 -5.941 459 HE1 MET 60 3HE MET 60 -7.195 -10.939 -7.893 460 HE2 MET 60 1HE MET 60 -8.604 -11.342 -8.875 461 HE3 MET 60 2HE MET 60 -8.358 -9.685 -8.325 462 H ILE 61 H ILE 61 -9.537 -8.299 -3.035 463 HA ILE 61 HA ILE 61 -7.929 -6.114 -3.981 464 HB ILE 61 HB ILE 61 -10.796 -6.192 -3.039 465 HG12 ILE 61 1HG1 ILE 61 -9.585 -6.077 -5.810 466 HG13 ILE 61 2HG1 ILE 61 -10.373 -7.474 -5.087 467 HG21 ILE 61 1HG2 ILE 61 -9.244 -3.966 -4.352 468 HG22 ILE 61 2HG2 ILE 61 -10.992 -3.978 -4.124 469 HG23 ILE 61 3HG2 ILE 61 -9.921 -3.967 -2.724 470 HD11 ILE 61 3HD1 ILE 61 -12.272 -6.780 -5.973 471 HD12 ILE 61 1HD1 ILE 61 -12.216 -5.379 -4.904 472 HD13 ILE 61 2HD1 ILE 61 -11.519 -5.283 -6.522 473 H ASP 62 H ASP 62 -8.908 -7.327 -0.910 474 HA ASP 62 HA ASP 62 -8.751 -4.950 0.605 475 HB2 ASP 62 1HB ASP 62 -9.826 -6.961 1.478 476 HB3 ASP 62 2HB ASP 62 -8.288 -7.819 1.446 477 H GLU 63 H GLU 63 -6.357 -7.505 -0.022 478 HA GLU 63 HA GLU 63 -4.275 -6.212 1.426 479 HB2 GLU 63 1HB GLU 63 -4.660 -8.714 0.214 480 HB3 GLU 63 2HB GLU 63 -3.293 -7.994 -0.626 481 HG2 GLU 63 1HG GLU 63 -2.104 -7.706 1.439 482 HG3 GLU 63 2HG GLU 63 -3.503 -8.248 2.364 483 H VAL 64 H VAL 64 -5.538 -5.896 -1.763 484 HA VAL 64 HA VAL 64 -3.177 -4.674 -2.883 485 HB VAL 64 HB VAL 64 -6.002 -4.877 -3.931 486 HG11 VAL 64 1HG1 VAL 64 -3.794 -3.231 -4.794 487 HG12 VAL 64 2HG1 VAL 64 -4.266 -4.375 -6.051 488 HG13 VAL 64 3HG1 VAL 64 -5.460 -3.270 -5.370 489 HG21 VAL 64 3HG2 VAL 64 -5.410 -6.802 -4.936 490 HG22 VAL 64 1HG2 VAL 64 -3.784 -6.229 -5.303 491 HG23 VAL 64 2HG2 VAL 64 -4.157 -6.853 -3.696 492 H ASP 65 H ASP 65 -6.420 -3.547 -1.942 493 HA ASP 65 HA ASP 65 -5.955 -0.821 -2.481 494 HB2 ASP 65 1HB ASP 65 -8.182 -2.100 -2.021 495 HB3 ASP 65 2HB ASP 65 -7.845 -1.726 -0.333 496 H GLU 66 H GLU 66 -4.270 0.208 -1.591 497 HA GLU 66 HA GLU 66 -3.198 -0.361 0.962 498 HB2 GLU 66 1HB GLU 66 -1.905 1.731 0.643 499 HB3 GLU 66 2HB GLU 66 -1.818 0.652 -0.742 500 HG2 GLU 66 1HG GLU 66 -2.190 2.582 -1.849 501 HG3 GLU 66 2HG GLU 66 -3.868 2.141 -1.536 502 H ASP 67 H ASP 67 -5.509 2.032 -0.195 503 HA ASP 67 HA ASP 67 -5.760 3.163 2.488 504 HB2 ASP 67 1HB ASP 67 -6.816 4.997 1.521 505 HB3 ASP 67 2HB ASP 67 -5.676 4.520 0.265 506 H GLY 68 H GLY 68 -7.097 0.692 0.693 507 HA2 GLY 68 1HA GLY 68 -9.004 -0.574 0.893 508 HA3 GLY 68 2HA GLY 68 -8.983 -0.062 2.574 509 H SER 69 H SER 69 -9.551 1.729 -0.448 510 HA SER 69 HA SER 69 -11.692 3.215 0.705 511 HG SER 69 HG SER 69 -9.480 3.770 -2.380 512 HB2 SER 69 1HB SER 69 -11.974 3.602 -1.988 513 HB3 SER 69 2HB SER 69 -10.872 4.515 -0.957 514 H GLY 70 H GLY 70 -11.489 0.139 -0.722 515 HA2 GLY 70 1HA GLY 70 -13.358 -1.362 -0.547 516 HA3 GLY 70 2HA GLY 70 -14.429 0.004 -0.818 517 H THR 71 H THR 71 -11.896 0.338 -2.904 518 HA THR 71 HA THR 71 -12.880 -1.456 -4.963 519 HB THR 71 HB THR 71 -13.153 0.451 -6.597 520 HG1 THR 71 HG1 THR 71 -13.317 1.990 -4.200 521 HG21 THR 71 3HG2 THR 71 -15.184 0.768 -4.430 522 HG22 THR 71 1HG2 THR 71 -15.003 -0.798 -5.218 523 HG23 THR 71 2HG2 THR 71 -15.413 0.627 -6.173 524 H VAL 72 H VAL 72 -11.643 -0.910 -7.108 525 HA VAL 72 HA VAL 72 -8.818 -0.621 -6.365 526 HB VAL 72 HB VAL 72 -10.230 -2.088 -8.550 527 HG11 VAL 72 1HG1 VAL 72 -7.503 -0.870 -8.727 528 HG12 VAL 72 2HG1 VAL 72 -7.852 -2.400 -9.535 529 HG13 VAL 72 3HG1 VAL 72 -8.772 -0.953 -9.948 530 HG21 VAL 72 3HG2 VAL 72 -9.583 -3.797 -7.287 531 HG22 VAL 72 1HG2 VAL 72 -7.904 -3.389 -7.640 532 HG23 VAL 72 2HG2 VAL 72 -8.696 -2.713 -6.216 533 H ASP 73 H ASP 73 -7.719 1.128 -6.946 534 HA ASP 73 HA ASP 73 -8.946 3.005 -8.825 535 HB2 ASP 73 1HB ASP 73 -7.746 3.408 -6.387 536 HB3 ASP 73 2HB ASP 73 -6.455 3.828 -7.509 537 H PHE 74 H PHE 74 -7.001 4.381 -9.922 538 HA PHE 74 HA PHE 74 -6.042 2.788 -11.997 539 HD1 PHE 74 HD2 PHE 74 -4.264 2.904 -13.375 540 HD2 PHE 74 HD1 PHE 74 -6.149 6.715 -13.586 541 HE1 PHE 74 HE2 PHE 74 -4.006 2.893 -15.822 542 HE2 PHE 74 HE1 PHE 74 -5.895 6.709 -16.034 543 HZ PHE 74 HZ PHE 74 -4.821 4.797 -17.154 544 HB2 PHE 74 1HB PHE 74 -6.211 5.461 -11.579 545 HB3 PHE 74 2HB PHE 74 -4.476 5.221 -11.393 546 H ASP 75 H ASP 75 -4.369 4.005 -9.115 547 HA ASP 75 HA ASP 75 -1.833 2.958 -9.717 548 HB2 ASP 75 1HB ASP 75 -2.237 4.662 -7.974 549 HB3 ASP 75 2HB ASP 75 -3.055 3.449 -6.993 550 H GLU 76 H GLU 76 -4.268 1.679 -7.440 551 HA GLU 76 HA GLU 76 -2.992 -0.736 -6.905 552 HB2 GLU 76 1HB GLU 76 -5.896 0.059 -6.848 553 HB3 GLU 76 2HB GLU 76 -5.365 -1.550 -6.379 554 HG2 GLU 76 1HG GLU 76 -4.524 -0.851 -4.421 555 HG3 GLU 76 2HG GLU 76 -3.922 0.661 -5.097 556 H TRP 77 H TRP 77 -5.124 0.178 -9.541 557 HA TRP 77 HA TRP 77 -5.535 -2.433 -10.564 558 HD1 TRP 77 HD1 TRP 77 -8.521 -2.214 -12.219 559 HE1 TRP 77 HE1 TRP 77 -8.626 -3.300 -14.550 560 HE3 TRP 77 HE3 TRP 77 -4.010 -0.651 -14.048 561 HZ2 TRP 77 HZ2 TRP 77 -7.011 -3.472 -16.859 562 HZ3 TRP 77 HZ3 TRP 77 -3.365 -1.320 -16.327 563 HH2 TRP 77 HH2 TRP 77 -4.836 -2.702 -17.701 564 HB2 TRP 77 1HB TRP 77 -6.958 -0.455 -11.106 565 HB3 TRP 77 2HB TRP 77 -5.633 0.186 -12.074 566 H LEU 78 H LEU 78 -3.000 -0.072 -10.942 567 HA LEU 78 HA LEU 78 -1.810 -1.215 -13.262 568 HG LEU 78 HG LEU 78 -0.535 2.191 -13.185 569 HB2 LEU 78 1HB LEU 78 -1.217 0.920 -11.365 570 HB3 LEU 78 2HB LEU 78 0.224 0.084 -11.942 571 HD11 LEU 78 1HD1 LEU 78 -0.285 0.592 -15.421 572 HD12 LEU 78 2HD1 LEU 78 0.506 -0.339 -14.150 573 HD13 LEU 78 3HD1 LEU 78 1.034 1.308 -14.494 574 HD21 LEU 78 3HD2 LEU 78 -2.423 2.211 -14.407 575 HD22 LEU 78 1HD2 LEU 78 -2.943 0.961 -13.276 576 HD23 LEU 78 2HD2 LEU 78 -2.282 0.509 -14.848 577 H VAL 79 H VAL 79 -1.070 -1.427 -9.791 578 HA VAL 79 HA VAL 79 1.121 -3.191 -10.068 579 HB VAL 79 HB VAL 79 0.829 -3.651 -7.664 580 HG11 VAL 79 1HG1 VAL 79 0.414 -0.710 -8.083 581 HG12 VAL 79 2HG1 VAL 79 1.463 -1.530 -6.925 582 HG13 VAL 79 3HG1 VAL 79 1.879 -1.518 -8.639 583 HG21 VAL 79 3HG2 VAL 79 -1.654 -3.645 -7.689 584 HG22 VAL 79 1HG2 VAL 79 -0.963 -2.660 -6.399 585 HG23 VAL 79 2HG2 VAL 79 -1.612 -1.888 -7.846 586 H MET 80 H MET 80 -2.321 -3.681 -9.979 587 HA MET 80 HA MET 80 -2.529 -6.320 -9.195 588 HB2 MET 80 1HB MET 80 -4.107 -4.533 -10.963 589 HB3 MET 80 2HB MET 80 -4.431 -6.257 -11.087 590 HG2 MET 80 1HG MET 80 -4.565 -6.097 -8.474 591 HG3 MET 80 2HG MET 80 -4.886 -4.398 -8.814 592 HE1 MET 80 3HE MET 80 -6.856 -5.632 -11.933 593 HE2 MET 80 1HE MET 80 -7.854 -4.435 -11.107 594 HE3 MET 80 2HE MET 80 -6.112 -4.192 -11.236 595 H MET 81 H MET 81 -1.906 -5.055 -12.460 596 HA MET 81 HA MET 81 -1.738 -7.580 -13.716 597 HB2 MET 81 1HB MET 81 -1.763 -4.976 -14.574 598 HB3 MET 81 2HB MET 81 -0.100 -5.447 -14.895 599 HG2 MET 81 1HG MET 81 -1.385 -5.855 -16.856 600 HG3 MET 81 2HG MET 81 -0.954 -7.409 -16.146 601 HE1 MET 81 3HE MET 81 -4.097 -4.868 -15.245 602 HE2 MET 81 1HE MET 81 -3.510 -4.799 -16.906 603 HE3 MET 81 2HE MET 81 -5.080 -5.522 -16.556 604 H ALA 82 H ALA 82 0.759 -5.383 -12.461 605 HA ALA 82 HA ALA 82 2.999 -6.879 -13.183 606 HB1 ALA 82 1HB ALA 82 3.505 -5.628 -10.681 607 HB2 ALA 82 2HB ALA 82 4.008 -5.117 -12.293 608 HB3 ALA 82 3HB ALA 82 2.466 -4.568 -11.635 609 H ARG 83 H ARG 83 0.929 -7.085 -10.327 610 HA ARG 83 HA ARG 83 2.514 -8.953 -8.913 611 HE ARG 83 HE ARG 83 -1.126 -12.443 -7.675 612 HB2 ARG 83 1HB ARG 83 0.882 -7.704 -7.698 613 HB3 ARG 83 2HB ARG 83 -0.413 -8.243 -8.759 614 HG2 ARG 83 1HG ARG 83 1.001 -10.428 -7.440 615 HG3 ARG 83 2HG ARG 83 0.200 -9.317 -6.327 616 HD2 ARG 83 1HD ARG 83 -1.907 -9.721 -7.258 617 HD3 ARG 83 2HD ARG 83 -1.223 -10.415 -8.727 618 HH11 ARG 83 1HH1 ARG 83 -1.524 -9.944 -5.284 619 HH12 ARG 83 2HH1 ARG 83 -1.757 -11.054 -3.974 620 HH21 ARG 83 1HH2 ARG 83 -1.430 -13.914 -5.959 621 HH22 ARG 83 2HH2 ARG 83 -1.702 -13.312 -4.359 622 H CYS 84 H CYS 84 0.284 -9.256 -11.534 623 HA CYS 84 HA CYS 84 -0.373 -11.996 -11.192 624 HG CYS 84 HG CYS 84 -2.178 -13.118 -12.561 625 HB2 CYS 84 1HB CYS 84 -1.551 -10.228 -12.650 626 HB3 CYS 84 2HB CYS 84 -0.312 -10.581 -13.848 627 H MET 85 H MET 85 2.463 -10.425 -12.183 628 HA MET 85 HA MET 85 3.440 -12.489 -13.928 629 HB2 MET 85 1HB MET 85 4.781 -10.125 -12.613 630 HB3 MET 85 2HB MET 85 5.619 -11.236 -13.688 631 HG2 MET 85 1HG MET 85 3.873 -10.669 -15.422 632 HG3 MET 85 2HG MET 85 3.364 -9.370 -14.346 633 HE1 MET 85 3HE MET 85 6.290 -10.871 -16.439 634 HE2 MET 85 1HE MET 85 5.177 -9.946 -17.446 635 HE3 MET 85 2HE MET 85 6.836 -9.390 -17.227 636 H LYS 86 H LYS 86 4.358 -11.373 -10.667 637 HA LYS 86 HA LYS 86 6.019 -13.672 -10.212 638 HB2 LYS 86 1HB LYS 86 6.054 -11.200 -9.183 639 HB3 LYS 86 2HB LYS 86 5.103 -11.995 -7.935 640 HG2 LYS 86 1HG LYS 86 7.138 -12.380 -7.053 641 HG3 LYS 86 2HG LYS 86 7.100 -13.763 -8.150 642 HD2 LYS 86 1HD LYS 86 8.732 -12.925 -9.444 643 HD3 LYS 86 2HD LYS 86 8.066 -11.292 -9.385 644 HE2 LYS 86 1HE LYS 86 9.248 -10.733 -7.496 645 HE3 LYS 86 2HE LYS 86 9.362 -12.404 -6.944 646 HZ1 LYS 86 3HZ LYS 86 10.756 -11.602 -9.404 647 HZ2 LYS 86 1HZ LYS 86 11.141 -12.828 -8.304 648 HZ3 LYS 86 2HZ LYS 86 11.436 -11.212 -7.905 649 H ASP 87 H ASP 87 3.684 -14.740 -10.905 650 HA ASP 87 HA ASP 87 1.959 -15.248 -8.672 651 HB2 ASP 87 1HB ASP 87 1.021 -15.314 -10.895 652 HB3 ASP 87 2HB ASP 87 2.175 -16.548 -11.393 653 H ASP 88 H ASP 88 3.624 -15.953 -7.164 654 HA ASP 88 HA ASP 88 4.695 -17.553 -5.953 655 HB2 ASP 88 1HB ASP 88 2.435 -18.699 -6.465 656 HB3 ASP 88 2HB ASP 88 3.345 -19.652 -7.634 657 H SER 89 H SER 89 5.973 -16.509 -8.293 658 HA SER 89 HA SER 89 7.333 -18.733 -9.559 659 HG SER 89 HG SER 89 7.902 -14.801 -10.461 660 HB2 SER 89 1HB SER 89 8.528 -16.982 -10.826 661 HB3 SER 89 2HB SER 89 6.780 -16.757 -10.898 Start of MODEL 4 1 HA MET 1 HA MET 1 1.742 1.136 -0.629 2 H1 MET 1 H MET 1 3.341 1.767 1.674 3 HB2 MET 1 1HB MET 1 3.060 2.508 -2.213 4 HB3 MET 1 2HB MET 1 2.115 3.483 -1.095 5 HG2 MET 1 1HG MET 1 3.947 4.315 -0.048 6 HG3 MET 1 2HG MET 1 4.907 2.865 -0.334 7 HE1 MET 1 3HE MET 1 7.382 4.398 -2.438 8 HE2 MET 1 1HE MET 1 6.869 5.368 -1.056 9 HE3 MET 1 2HE MET 1 6.900 3.609 -0.935 10 H ASP 2 H ASP 2 2.683 -0.409 -1.910 11 HA ASP 2 HA ASP 2 5.126 -1.599 -0.856 12 HB2 ASP 2 1HB ASP 2 3.014 -2.568 -2.778 13 HB3 ASP 2 2HB ASP 2 4.515 -3.449 -2.511 14 H ASP 3 H ASP 3 6.721 -0.211 -1.623 15 HA ASP 3 HA ASP 3 6.944 0.683 -4.282 16 HB2 ASP 3 1HB ASP 3 8.163 1.555 -2.208 17 HB3 ASP 3 2HB ASP 3 9.285 0.217 -2.440 18 H ILE 4 H ILE 4 7.708 -2.333 -2.783 19 HA ILE 4 HA ILE 4 9.655 -3.311 -4.544 20 HB ILE 4 HB ILE 4 9.173 -4.461 -2.470 21 HG12 ILE 4 1HG1 ILE 4 8.267 -6.546 -4.356 22 HG13 ILE 4 2HG1 ILE 4 9.712 -5.668 -4.844 23 HG21 ILE 4 1HG2 ILE 4 7.115 -4.906 -1.763 24 HG22 ILE 4 2HG2 ILE 4 6.502 -4.115 -3.214 25 HG23 ILE 4 3HG2 ILE 4 6.770 -5.858 -3.207 26 HD11 ILE 4 3HD1 ILE 4 10.964 -6.789 -3.405 27 HD12 ILE 4 1HD1 ILE 4 9.855 -6.454 -2.075 28 HD13 ILE 4 2HD1 ILE 4 9.573 -7.839 -3.130 29 H TYR 5 H TYR 5 6.180 -3.077 -4.831 30 HA TYR 5 HA TYR 5 6.080 -4.745 -7.194 31 HD1 TYR 5 HD1 TYR 5 5.214 -6.489 -6.582 32 HD2 TYR 5 HD2 TYR 5 2.769 -4.050 -4.097 33 HE1 TYR 5 HE1 TYR 5 4.795 -8.417 -5.113 34 HE2 TYR 5 HE2 TYR 5 2.345 -5.970 -2.620 35 HH TYR 5 HH TYR 5 4.144 -8.734 -2.634 36 HB2 TYR 5 1HB TYR 5 3.976 -3.059 -5.824 37 HB3 TYR 5 2HB TYR 5 3.671 -4.069 -7.232 38 H LYS 6 H LYS 6 6.078 -1.329 -6.391 39 HA LYS 6 HA LYS 6 5.340 -0.325 -8.917 40 HB2 LYS 6 1HB LYS 6 7.209 1.074 -7.014 41 HB3 LYS 6 2HB LYS 6 6.058 1.792 -8.134 42 HG2 LYS 6 1HG LYS 6 5.488 0.364 -5.555 43 HG3 LYS 6 2HG LYS 6 5.141 2.042 -5.978 44 HD2 LYS 6 1HD LYS 6 3.870 -0.391 -7.233 45 HD3 LYS 6 2HD LYS 6 3.118 0.659 -6.030 46 HE2 LYS 6 1HE LYS 6 3.907 2.450 -7.936 47 HE3 LYS 6 2HE LYS 6 3.482 1.044 -8.912 48 HZ1 LYS 6 3HZ LYS 6 1.316 1.278 -8.450 49 HZ2 LYS 6 1HZ LYS 6 1.725 2.870 -8.049 50 HZ3 LYS 6 2HZ LYS 6 1.581 1.703 -6.834 51 H ALA 7 H ALA 7 8.304 -1.631 -7.709 52 HA ALA 7 HA ALA 7 10.099 -0.444 -9.539 53 HB1 ALA 7 1HB ALA 7 10.163 -2.742 -7.679 54 HB2 ALA 7 2HB ALA 7 11.342 -2.745 -8.991 55 HB3 ALA 7 3HB ALA 7 11.285 -1.394 -7.860 56 H ALA 8 H ALA 8 8.845 -3.789 -9.532 57 HA ALA 8 HA ALA 8 9.724 -4.512 -12.055 58 HB1 ALA 8 1HB ALA 8 8.966 -6.338 -10.943 59 HB2 ALA 8 2HB ALA 8 7.603 -5.476 -10.228 60 HB3 ALA 8 3HB ALA 8 7.525 -6.011 -11.907 61 H VAL 9 H VAL 9 6.848 -2.728 -11.116 62 HA VAL 9 HA VAL 9 5.494 -2.847 -13.588 63 HB VAL 9 HB VAL 9 5.368 -0.708 -11.457 64 HG11 VAL 9 1HG1 VAL 9 4.087 -0.960 -14.051 65 HG12 VAL 9 2HG1 VAL 9 2.921 -0.830 -12.733 66 HG13 VAL 9 3HG1 VAL 9 4.150 0.416 -12.950 67 HG21 VAL 9 3HG2 VAL 9 4.697 -3.326 -11.181 68 HG22 VAL 9 1HG2 VAL 9 3.945 -2.001 -10.291 69 HG23 VAL 9 2HG2 VAL 9 3.173 -2.639 -11.743 70 H GLU 10 H GLU 10 7.670 -0.388 -12.218 71 HA GLU 10 HA GLU 10 7.586 1.336 -14.455 72 HB2 GLU 10 1HB GLU 10 9.422 1.029 -12.107 73 HB3 GLU 10 2HB GLU 10 9.863 2.108 -13.423 74 HG2 GLU 10 1HG GLU 10 7.478 3.080 -13.061 75 HG3 GLU 10 2HG GLU 10 7.612 2.313 -11.480 76 H GLN 11 H GLN 11 9.210 -1.623 -13.879 77 HA GLN 11 HA GLN 11 11.258 -1.160 -15.882 78 HB2 GLN 11 1HB GLN 11 10.594 -3.725 -14.432 79 HB3 GLN 11 2HB GLN 11 12.069 -3.362 -15.319 80 HG2 GLN 11 1HG GLN 11 11.759 -1.348 -13.371 81 HG3 GLN 11 2HG GLN 11 11.458 -2.894 -12.579 82 HE21 GLN 11 2HE2 GLN 11 13.097 -4.523 -12.714 83 HE22 GLN 11 1HE2 GLN 11 14.753 -4.072 -12.908 84 H LEU 12 H LEU 12 8.063 -1.840 -16.011 85 HA LEU 12 HA LEU 12 7.949 -3.964 -17.886 86 HG LEU 12 HG LEU 12 6.264 -3.321 -15.377 87 HB2 LEU 12 1HB LEU 12 5.997 -1.761 -17.245 88 HB3 LEU 12 2HB LEU 12 5.643 -3.109 -18.323 89 HD11 LEU 12 1HD1 LEU 12 3.698 -3.465 -16.938 90 HD12 LEU 12 2HD1 LEU 12 4.105 -2.387 -15.604 91 HD13 LEU 12 3HD1 LEU 12 3.870 -4.109 -15.305 92 HD21 LEU 12 3HD2 LEU 12 5.633 -5.671 -15.645 93 HD22 LEU 12 1HD2 LEU 12 7.046 -5.265 -16.619 94 HD23 LEU 12 2HD2 LEU 12 5.465 -5.428 -17.384 95 H THR 13 H THR 13 6.917 -3.595 -20.106 96 HA THR 13 HA THR 13 8.689 -1.917 -21.614 97 HB THR 13 HB THR 13 6.551 -2.866 -23.251 98 HG1 THR 13 HG1 THR 13 7.718 -5.034 -21.891 99 HG21 THR 13 3HG2 THR 13 8.866 -2.536 -23.969 100 HG22 THR 13 1HG2 THR 13 8.340 -4.190 -24.279 101 HG23 THR 13 2HG2 THR 13 9.389 -3.841 -22.905 102 H GLU 14 H GLU 14 8.213 -0.094 -22.801 103 HA GLU 14 HA GLU 14 6.428 1.751 -21.792 104 HB2 GLU 14 1HB GLU 14 7.466 1.601 -24.628 105 HB3 GLU 14 2HB GLU 14 6.784 3.028 -23.860 106 HG2 GLU 14 1HG GLU 14 8.610 3.219 -22.375 107 HG3 GLU 14 2HG GLU 14 9.214 1.619 -22.799 108 H GLU 15 H GLU 15 5.989 -0.451 -24.535 109 HA GLU 15 HA GLU 15 3.436 0.485 -25.288 110 HB2 GLU 15 1HB GLU 15 5.013 -2.000 -25.805 111 HB3 GLU 15 2HB GLU 15 3.307 -1.976 -26.228 112 HG2 GLU 15 1HG GLU 15 5.293 0.067 -27.184 113 HG3 GLU 15 2HG GLU 15 4.864 -1.387 -28.083 114 H GLN 16 H GLN 16 4.481 -2.090 -23.100 115 HA GLN 16 HA GLN 16 1.951 -3.174 -22.558 116 HB2 GLN 16 1HB GLN 16 4.472 -3.080 -20.901 117 HB3 GLN 16 2HB GLN 16 3.040 -3.983 -20.426 118 HG2 GLN 16 1HG GLN 16 4.501 -4.421 -23.016 119 HG3 GLN 16 2HG GLN 16 4.828 -5.324 -21.537 120 HE21 GLN 16 2HE2 GLN 16 3.815 -7.180 -21.360 121 HE22 GLN 16 1HE2 GLN 16 2.326 -7.610 -22.124 122 H LYS 17 H LYS 17 3.780 -0.611 -20.927 123 HA LYS 17 HA LYS 17 1.933 -0.156 -18.851 124 HB2 LYS 17 1HB LYS 17 4.027 1.607 -20.118 125 HB3 LYS 17 2HB LYS 17 3.058 2.123 -18.744 126 HG2 LYS 17 1HG LYS 17 4.775 -0.347 -18.739 127 HG3 LYS 17 2HG LYS 17 5.319 1.234 -18.171 128 HD2 LYS 17 1HD LYS 17 2.761 0.228 -17.071 129 HD3 LYS 17 2HD LYS 17 4.230 -0.604 -16.555 130 HE2 LYS 17 1HE LYS 17 4.386 1.012 -15.014 131 HE3 LYS 17 2HE LYS 17 4.944 2.030 -16.341 132 HZ1 LYS 17 3HZ LYS 17 3.081 3.228 -16.289 133 HZ2 LYS 17 1HZ LYS 17 2.802 2.539 -14.769 134 HZ3 LYS 17 2HZ LYS 17 2.081 1.872 -16.146 135 H ASN 18 H ASN 18 2.210 1.157 -22.109 136 HA ASN 18 HA ASN 18 0.312 3.211 -21.877 137 HB2 ASN 18 1HB ASN 18 1.719 1.833 -24.038 138 HB3 ASN 18 2HB ASN 18 0.103 2.360 -24.500 139 HD21 ASN 18 2HD2 ASN 18 3.058 3.246 -24.917 140 HD22 ASN 18 1HD2 ASN 18 2.958 4.963 -24.754 141 H GLU 19 H GLU 19 -0.046 -0.155 -22.968 142 HA GLU 19 HA GLU 19 -2.833 0.018 -23.446 143 HB2 GLU 19 1HB GLU 19 -0.997 -2.329 -22.972 144 HB3 GLU 19 2HB GLU 19 -2.708 -2.514 -23.330 145 HG2 GLU 19 1HG GLU 19 -2.214 -1.091 -25.411 146 HG3 GLU 19 2HG GLU 19 -0.523 -1.472 -25.086 147 H PHE 20 H PHE 20 -0.910 -0.715 -20.618 148 HA PHE 20 HA PHE 20 -2.968 -1.831 -19.034 149 HD1 PHE 20 HD2 PHE 20 -1.126 -3.081 -20.102 150 HD2 PHE 20 HD1 PHE 20 -0.254 -2.577 -15.966 151 HE1 PHE 20 HE2 PHE 20 -0.490 -5.453 -19.950 152 HE2 PHE 20 HE1 PHE 20 0.384 -4.948 -15.808 153 HZ PHE 20 HZ PHE 20 0.266 -6.390 -17.802 154 HB2 PHE 20 1HB PHE 20 -0.269 -0.673 -18.511 155 HB3 PHE 20 2HB PHE 20 -1.361 -0.876 -17.145 156 H LYS 21 H LYS 21 -1.949 1.459 -19.672 157 HA LYS 21 HA LYS 21 -3.629 2.593 -17.620 158 HB2 LYS 21 1HB LYS 21 -1.428 3.564 -18.535 159 HB3 LYS 21 2HB LYS 21 -2.387 4.107 -19.906 160 HG2 LYS 21 1HG LYS 21 -3.648 4.839 -17.423 161 HG3 LYS 21 2HG LYS 21 -1.987 5.432 -17.491 162 HD2 LYS 21 1HD LYS 21 -3.497 5.796 -19.976 163 HD3 LYS 21 2HD LYS 21 -4.153 6.680 -18.596 164 HE2 LYS 21 1HE LYS 21 -2.646 8.234 -19.244 165 HE3 LYS 21 2HE LYS 21 -1.544 7.238 -18.294 166 HZ1 LYS 21 3HZ LYS 21 -1.609 7.700 -21.127 167 HZ2 LYS 21 1HZ LYS 21 -1.508 6.058 -20.733 168 HZ3 LYS 21 2HZ LYS 21 -0.345 7.140 -20.153 169 H ALA 22 H ALA 22 -3.768 2.093 -21.098 170 HA ALA 22 HA ALA 22 -6.142 3.630 -21.499 171 HB1 ALA 22 1HB ALA 22 -5.675 3.335 -23.653 172 HB2 ALA 22 2HB ALA 22 -4.235 2.453 -23.139 173 HB3 ALA 22 3HB ALA 22 -5.726 1.579 -23.492 174 H ALA 23 H ALA 23 -5.503 0.124 -21.401 175 HA ALA 23 HA ALA 23 -8.149 -0.726 -21.678 176 HB1 ALA 23 1HB ALA 23 -5.852 -2.027 -21.645 177 HB2 ALA 23 2HB ALA 23 -6.305 -2.304 -19.963 178 HB3 ALA 23 3HB ALA 23 -7.374 -2.832 -21.262 179 H PHE 24 H PHE 24 -6.528 0.695 -18.998 180 HA PHE 24 HA PHE 24 -8.226 -0.335 -16.946 181 HD1 PHE 24 HD2 PHE 24 -7.166 -0.249 -14.256 182 HD2 PHE 24 HD1 PHE 24 -7.517 3.704 -15.796 183 HE1 PHE 24 HE2 PHE 24 -7.971 0.530 -12.065 184 HE2 PHE 24 HE1 PHE 24 -8.322 4.489 -13.608 185 HZ PHE 24 HZ PHE 24 -8.551 2.901 -11.739 186 HB2 PHE 24 1HB PHE 24 -6.035 0.452 -16.337 187 HB3 PHE 24 2HB PHE 24 -6.359 2.040 -17.025 188 H ASP 25 H ASP 25 -8.301 2.435 -19.076 189 HA ASP 25 HA ASP 25 -10.276 3.923 -17.704 190 HB2 ASP 25 1HB ASP 25 -8.869 4.960 -19.398 191 HB3 ASP 25 2HB ASP 25 -9.532 3.896 -20.636 192 H ILE 26 H ILE 26 -10.445 1.441 -20.208 193 HA ILE 26 HA ILE 26 -13.221 1.650 -20.698 194 HB ILE 26 HB ILE 26 -11.383 -0.718 -21.067 195 HG12 ILE 26 1HG1 ILE 26 -11.990 0.258 -23.552 196 HG13 ILE 26 2HG1 ILE 26 -11.912 1.737 -22.601 197 HG21 ILE 26 1HG2 ILE 26 -14.178 -0.214 -22.072 198 HG22 ILE 26 2HG2 ILE 26 -13.121 -1.489 -22.676 199 HG23 ILE 26 3HG2 ILE 26 -13.644 -1.502 -20.992 200 HD11 ILE 26 3HD1 ILE 26 -9.777 -0.139 -23.376 201 HD12 ILE 26 1HD1 ILE 26 -9.739 1.613 -23.178 202 HD13 ILE 26 2HD1 ILE 26 -9.665 0.563 -21.762 203 H PHE 27 H PHE 27 -11.366 0.073 -18.223 204 HA PHE 27 HA PHE 27 -13.497 -1.648 -17.347 205 HD1 PHE 27 HD2 PHE 27 -11.075 -2.154 -18.898 206 HD2 PHE 27 HD1 PHE 27 -11.395 -4.013 -15.083 207 HE1 PHE 27 HE2 PHE 27 -10.498 -4.321 -19.910 208 HE2 PHE 27 HE1 PHE 27 -10.817 -6.184 -16.088 209 HZ PHE 27 HZ PHE 27 -10.369 -6.340 -18.505 210 HB2 PHE 27 1HB PHE 27 -10.752 -0.983 -16.354 211 HB3 PHE 27 2HB PHE 27 -11.886 -1.786 -15.273 212 H VAL 28 H VAL 28 -12.107 1.433 -16.319 213 HA VAL 28 HA VAL 28 -13.941 1.665 -14.090 214 HB VAL 28 HB VAL 28 -12.902 3.871 -13.729 215 HG11 VAL 28 1HG1 VAL 28 -10.714 3.072 -13.088 216 HG12 VAL 28 2HG1 VAL 28 -11.913 1.816 -12.777 217 HG13 VAL 28 3HG1 VAL 28 -10.858 1.701 -14.186 218 HG21 VAL 28 3HG2 VAL 28 -10.785 3.443 -15.717 219 HG22 VAL 28 1HG2 VAL 28 -12.363 3.847 -16.392 220 HG23 VAL 28 2HG2 VAL 28 -11.599 4.929 -15.226 221 H LEU 29 H LEU 29 -14.428 1.900 -17.260 222 HA LEU 29 HA LEU 29 -15.586 4.383 -17.751 223 HG LEU 29 HG LEU 29 -14.296 3.410 -19.950 224 HB2 LEU 29 1HB LEU 29 -15.717 1.700 -18.930 225 HB3 LEU 29 2HB LEU 29 -17.139 2.699 -19.227 226 HD11 LEU 29 1HD1 LEU 29 -14.928 3.027 -22.216 227 HD12 LEU 29 2HD1 LEU 29 -16.606 2.734 -21.759 228 HD13 LEU 29 3HD1 LEU 29 -15.352 1.586 -21.291 229 HD21 LEU 29 3HD2 LEU 29 -15.142 5.494 -19.782 230 HD22 LEU 29 1HD2 LEU 29 -16.814 4.940 -19.876 231 HD23 LEU 29 2HD2 LEU 29 -15.856 5.103 -21.347 232 H GLY 30 H GLY 30 -16.724 1.728 -15.858 233 HA2 GLY 30 1HA GLY 30 -19.479 2.661 -15.846 234 HA3 GLY 30 2HA GLY 30 -18.844 1.268 -14.982 235 H ALA 31 H ALA 31 -16.633 2.896 -13.847 236 HA ALA 31 HA ALA 31 -17.997 3.736 -11.480 237 HB1 ALA 31 1HB ALA 31 -15.795 2.702 -11.366 238 HB2 ALA 31 2HB ALA 31 -15.101 4.053 -12.263 239 HB3 ALA 31 3HB ALA 31 -15.768 4.314 -10.651 240 H GLU 32 H GLU 32 -17.362 5.918 -10.472 241 HA GLU 32 HA GLU 32 -17.865 8.002 -12.485 242 HB2 GLU 32 1HB GLU 32 -19.559 7.658 -10.662 243 HB3 GLU 32 2HB GLU 32 -18.335 8.161 -9.506 244 HG2 GLU 32 1HG GLU 32 -19.579 10.082 -9.870 245 HG3 GLU 32 2HG GLU 32 -18.165 10.299 -10.899 246 H ASP 33 H ASP 33 -15.876 7.165 -9.700 247 HA ASP 33 HA ASP 33 -14.317 9.603 -9.940 248 HB2 ASP 33 1HB ASP 33 -13.854 7.230 -8.123 249 HB3 ASP 33 2HB ASP 33 -13.128 8.829 -7.977 250 H GLY 34 H GLY 34 -14.118 6.239 -10.829 251 HA2 GLY 34 1HA GLY 34 -12.706 5.731 -12.765 252 HA3 GLY 34 2HA GLY 34 -11.494 6.795 -12.067 253 H CYS 35 H CYS 35 -13.422 4.013 -10.934 254 HA CYS 35 HA CYS 35 -10.950 2.587 -10.329 255 HG CYS 35 HG CYS 35 -14.547 3.408 -8.879 256 HB2 CYS 35 1HB CYS 35 -11.564 2.119 -8.043 257 HB3 CYS 35 2HB CYS 35 -11.567 3.863 -8.276 258 H ILE 36 H ILE 36 -11.583 0.330 -9.376 259 HA ILE 36 HA ILE 36 -13.957 -0.666 -10.807 260 HB ILE 36 HB ILE 36 -11.264 -2.025 -10.652 261 HG12 ILE 36 1HG1 ILE 36 -12.230 -1.675 -13.312 262 HG13 ILE 36 2HG1 ILE 36 -12.332 -0.123 -12.489 263 HG21 ILE 36 1HG2 ILE 36 -12.338 -3.691 -12.177 264 HG22 ILE 36 2HG2 ILE 36 -12.968 -3.690 -10.531 265 HG23 ILE 36 3HG2 ILE 36 -13.887 -2.924 -11.827 266 HD11 ILE 36 3HD1 ILE 36 -10.036 -0.044 -12.109 267 HD12 ILE 36 1HD1 ILE 36 -9.834 -1.770 -12.409 268 HD13 ILE 36 2HD1 ILE 36 -10.187 -0.677 -13.748 269 H SER 37 H SER 37 -15.352 -1.331 -9.317 270 HA SER 37 HA SER 37 -14.416 -2.367 -6.768 271 HG SER 37 HG SER 37 -18.396 -1.938 -7.338 272 HB2 SER 37 1HB SER 37 -16.597 -2.054 -5.972 273 HB3 SER 37 2HB SER 37 -16.403 -0.738 -7.130 274 H THR 38 H THR 38 -14.856 -4.421 -5.971 275 HA THR 38 HA THR 38 -14.601 -6.573 -7.671 276 HB THR 38 HB THR 38 -14.123 -6.977 -5.402 277 HG1 THR 38 HG1 THR 38 -15.608 -8.578 -6.664 278 HG21 THR 38 3HG2 THR 38 -16.482 -6.933 -3.949 279 HG22 THR 38 1HG2 THR 38 -16.577 -5.486 -4.952 280 HG23 THR 38 2HG2 THR 38 -15.194 -5.729 -3.885 281 H LYS 39 H LYS 39 -17.491 -4.883 -6.710 282 HA LYS 39 HA LYS 39 -19.378 -6.852 -7.463 283 HB2 LYS 39 1HB LYS 39 -19.628 -4.604 -6.100 284 HB3 LYS 39 2HB LYS 39 -20.009 -3.939 -7.683 285 HG2 LYS 39 1HG LYS 39 -21.421 -6.340 -6.563 286 HG3 LYS 39 2HG LYS 39 -21.960 -4.687 -6.259 287 HD2 LYS 39 1HD LYS 39 -21.863 -4.442 -8.836 288 HD3 LYS 39 2HD LYS 39 -21.878 -6.207 -8.839 289 HE2 LYS 39 1HE LYS 39 -24.129 -5.646 -9.014 290 HE3 LYS 39 2HE LYS 39 -23.923 -5.981 -7.295 291 HZ1 LYS 39 3HZ LYS 39 -23.410 -3.371 -7.361 292 HZ2 LYS 39 1HZ LYS 39 -24.954 -4.010 -7.092 293 HZ3 LYS 39 2HZ LYS 39 -24.516 -3.478 -8.636 294 H GLU 40 H GLU 40 -18.031 -4.053 -9.189 295 HA GLU 40 HA GLU 40 -19.472 -4.656 -11.602 296 HB2 GLU 40 1HB GLU 40 -18.459 -2.372 -10.669 297 HB3 GLU 40 2HB GLU 40 -17.086 -2.878 -11.644 298 HG2 GLU 40 1HG GLU 40 -19.906 -2.453 -12.605 299 HG3 GLU 40 2HG GLU 40 -18.518 -1.410 -12.912 300 H LEU 41 H LEU 41 -16.312 -5.344 -10.292 301 HA LEU 41 HA LEU 41 -15.019 -6.105 -12.674 302 HG LEU 41 HG LEU 41 -13.407 -8.631 -10.993 303 HB2 LEU 41 1HB LEU 41 -13.761 -5.668 -10.674 304 HB3 LEU 41 2HB LEU 41 -14.588 -6.969 -9.820 305 HD11 LEU 41 1HD1 LEU 41 -13.231 -8.269 -13.198 306 HD12 LEU 41 2HD1 LEU 41 -11.676 -7.548 -12.783 307 HD13 LEU 41 3HD1 LEU 41 -13.093 -6.521 -13.004 308 HD21 LEU 41 3HD2 LEU 41 -12.008 -7.744 -9.318 309 HD22 LEU 41 1HD2 LEU 41 -11.632 -6.313 -10.278 310 HD23 LEU 41 2HD2 LEU 41 -10.994 -7.887 -10.754 311 H GLY 42 H GLY 42 -16.896 -7.964 -10.308 312 HA2 GLY 42 1HA GLY 42 -16.491 -10.521 -11.314 313 HA3 GLY 42 2HA GLY 42 -17.949 -9.997 -10.484 314 H LYS 43 H LYS 43 -18.372 -7.928 -12.634 315 HA LYS 43 HA LYS 43 -20.078 -9.499 -14.276 316 HB2 LYS 43 1HB LYS 43 -19.204 -6.614 -14.477 317 HB3 LYS 43 2HB LYS 43 -20.419 -7.343 -15.519 318 HG2 LYS 43 1HG LYS 43 -20.612 -7.169 -12.519 319 HG3 LYS 43 2HG LYS 43 -21.380 -6.053 -13.651 320 HD2 LYS 43 1HD LYS 43 -21.873 -9.028 -13.526 321 HD3 LYS 43 2HD LYS 43 -22.932 -7.789 -12.848 322 HE2 LYS 43 1HE LYS 43 -22.235 -8.206 -15.752 323 HE3 LYS 43 2HE LYS 43 -23.798 -8.481 -14.983 324 HZ1 LYS 43 3HZ LYS 43 -22.463 -5.913 -15.570 325 HZ2 LYS 43 1HZ LYS 43 -23.679 -6.014 -14.398 326 HZ3 LYS 43 2HZ LYS 43 -24.017 -6.422 -16.004 327 H VAL 44 H VAL 44 -17.095 -7.681 -14.969 328 HA VAL 44 HA VAL 44 -16.842 -8.264 -17.660 329 HB VAL 44 HB VAL 44 -15.343 -6.837 -15.999 330 HG11 VAL 44 1HG1 VAL 44 -13.313 -7.806 -15.368 331 HG12 VAL 44 2HG1 VAL 44 -14.512 -9.041 -14.979 332 HG13 VAL 44 3HG1 VAL 44 -13.533 -9.189 -16.440 333 HG21 VAL 44 3HG2 VAL 44 -14.948 -6.319 -18.172 334 HG22 VAL 44 1HG2 VAL 44 -13.464 -7.220 -17.863 335 HG23 VAL 44 2HG2 VAL 44 -14.822 -8.006 -18.667 336 H MET 45 H MET 45 -16.321 -10.315 -14.908 337 HA MET 45 HA MET 45 -14.641 -12.257 -15.972 338 HB2 MET 45 1HB MET 45 -16.959 -12.826 -14.127 339 HB3 MET 45 2HB MET 45 -15.453 -13.724 -14.264 340 HG2 MET 45 1HG MET 45 -15.840 -10.964 -13.140 341 HG3 MET 45 2HG MET 45 -15.378 -12.425 -12.271 342 HE1 MET 45 3HE MET 45 -13.038 -13.125 -15.171 343 HE2 MET 45 1HE MET 45 -11.925 -13.223 -13.807 344 HE3 MET 45 2HE MET 45 -13.552 -13.887 -13.666 345 H ARG 46 H ARG 46 -18.180 -12.017 -16.129 346 HA ARG 46 HA ARG 46 -18.662 -14.423 -17.469 347 HE ARG 46 HE ARG 46 -22.126 -10.899 -16.442 348 HB2 ARG 46 1HB ARG 46 -20.256 -11.885 -17.828 349 HB3 ARG 46 2HB ARG 46 -20.824 -13.541 -17.997 350 HG2 ARG 46 1HG ARG 46 -20.176 -13.771 -15.508 351 HG3 ARG 46 2HG ARG 46 -20.198 -12.007 -15.511 352 HD2 ARG 46 1HD ARG 46 -22.486 -13.744 -16.424 353 HD3 ARG 46 2HD ARG 46 -22.347 -13.050 -14.809 354 HH11 ARG 46 1HH1 ARG 46 -24.451 -13.474 -16.154 355 HH12 ARG 46 2HH1 ARG 46 -25.782 -12.509 -16.698 356 HH21 ARG 46 1HH2 ARG 46 -23.871 -9.617 -17.160 357 HH22 ARG 46 2HH2 ARG 46 -25.452 -10.315 -17.271 358 H MET 47 H MET 47 -17.967 -11.183 -18.720 359 HA MET 47 HA MET 47 -18.301 -11.830 -21.453 360 HB2 MET 47 1HB MET 47 -16.565 -9.664 -20.257 361 HB3 MET 47 2HB MET 47 -17.169 -9.728 -21.907 362 HG2 MET 47 1HG MET 47 -18.883 -9.499 -19.444 363 HG3 MET 47 2HG MET 47 -18.414 -8.159 -20.489 364 HE1 MET 47 3HE MET 47 -21.825 -7.973 -21.379 365 HE2 MET 47 1HE MET 47 -20.274 -7.250 -20.951 366 HE3 MET 47 2HE MET 47 -20.670 -7.548 -22.643 367 H LEU 48 H LEU 48 -15.661 -12.211 -19.217 368 HA LEU 48 HA LEU 48 -13.640 -12.626 -21.199 369 HG LEU 48 HG LEU 48 -11.444 -12.026 -19.938 370 HB2 LEU 48 1HB LEU 48 -13.848 -12.738 -18.270 371 HB3 LEU 48 2HB LEU 48 -12.668 -13.843 -18.973 372 HD11 LEU 48 1HD1 LEU 48 -12.631 -10.279 -20.651 373 HD12 LEU 48 2HD1 LEU 48 -12.513 -9.677 -18.998 374 HD13 LEU 48 3HD1 LEU 48 -13.937 -10.586 -19.506 375 HD21 LEU 48 3HD2 LEU 48 -10.658 -12.294 -17.795 376 HD22 LEU 48 1HD2 LEU 48 -12.186 -11.810 -17.057 377 HD23 LEU 48 2HD2 LEU 48 -11.127 -10.593 -17.771 378 H GLY 49 H GLY 49 -16.035 -14.602 -19.668 379 HA2 GLY 49 1HA GLY 49 -16.647 -16.651 -20.854 380 HA3 GLY 49 2HA GLY 49 -14.931 -16.944 -21.090 381 H GLN 50 H GLN 50 -15.602 -15.701 -18.024 382 HA GLN 50 HA GLN 50 -15.806 -18.387 -16.851 383 HB2 GLN 50 1HB GLN 50 -13.893 -16.217 -15.975 384 HB3 GLN 50 2HB GLN 50 -14.158 -17.735 -15.127 385 HG2 GLN 50 1HG GLN 50 -13.323 -18.969 -17.053 386 HG3 GLN 50 2HG GLN 50 -13.078 -17.456 -17.922 387 HE21 GLN 50 2HE2 GLN 50 -12.396 -18.362 -14.569 388 HE22 GLN 50 1HE2 GLN 50 -10.704 -18.021 -14.637 389 H ASN 51 H ASN 51 -16.666 -18.446 -14.700 390 HA ASN 51 HA ASN 51 -17.972 -15.988 -13.785 391 HB2 ASN 51 1HB ASN 51 -19.654 -17.156 -15.113 392 HB3 ASN 51 2HB ASN 51 -19.380 -18.635 -14.198 393 HD21 ASN 51 2HD2 ASN 51 -20.768 -19.022 -12.643 394 HD22 ASN 51 1HD2 ASN 51 -21.713 -17.845 -11.801 395 HA PRO 52 HA PRO 52 -15.917 -18.490 -10.411 396 HB2 PRO 52 1HB PRO 52 -14.398 -16.449 -9.463 397 HB3 PRO 52 2HB PRO 52 -13.864 -17.520 -10.764 398 HG2 PRO 52 1HG PRO 52 -15.045 -14.775 -10.935 399 HG3 PRO 52 2HG PRO 52 -13.678 -15.462 -11.831 400 HD2 PRO 52 1HD PRO 52 -16.156 -15.242 -12.899 401 HD3 PRO 52 2HD PRO 52 -15.046 -16.561 -13.325 402 H THR 53 H THR 53 -15.548 -17.428 -8.030 403 HA THR 53 HA THR 53 -18.210 -16.548 -7.256 404 HB THR 53 HB THR 53 -17.019 -18.403 -6.044 405 HG1 THR 53 HG1 THR 53 -18.587 -17.648 -4.790 406 HG21 THR 53 3HG2 THR 53 -15.523 -16.613 -4.318 407 HG22 THR 53 1HG2 THR 53 -14.916 -16.592 -5.973 408 HG23 THR 53 2HG2 THR 53 -15.017 -18.116 -5.090 409 HA PRO 54 HA PRO 54 -17.127 -12.311 -6.735 410 HB2 PRO 54 1HB PRO 54 -19.030 -11.602 -4.934 411 HB3 PRO 54 2HB PRO 54 -19.386 -11.902 -6.639 412 HG2 PRO 54 1HG PRO 54 -19.746 -13.712 -4.282 413 HG3 PRO 54 2HG PRO 54 -20.839 -13.423 -5.648 414 HD2 PRO 54 1HD PRO 54 -19.236 -15.600 -5.499 415 HD3 PRO 54 2HD PRO 54 -19.673 -14.840 -7.043 416 H GLU 55 H GLU 55 -17.596 -14.319 -3.859 417 HA GLU 55 HA GLU 55 -16.511 -12.614 -1.944 418 HB2 GLU 55 1HB GLU 55 -16.399 -15.632 -2.073 419 HB3 GLU 55 2HB GLU 55 -16.041 -14.674 -0.643 420 HG2 GLU 55 1HG GLU 55 -18.258 -14.015 -0.378 421 HG3 GLU 55 2HG GLU 55 -18.682 -14.451 -2.033 422 H GLU 56 H GLU 56 -14.938 -14.794 -4.213 423 HA GLU 56 HA GLU 56 -12.337 -14.604 -3.100 424 HB2 GLU 56 1HB GLU 56 -13.082 -16.401 -4.657 425 HB3 GLU 56 2HB GLU 56 -13.102 -15.219 -5.958 426 HG2 GLU 56 1HG GLU 56 -11.079 -16.457 -6.115 427 HG3 GLU 56 2HG GLU 56 -10.680 -14.831 -5.563 428 H LEU 57 H LEU 57 -13.999 -12.847 -5.686 429 HA LEU 57 HA LEU 57 -11.925 -11.336 -6.688 430 HG LEU 57 HG LEU 57 -14.790 -12.490 -7.429 431 HB2 LEU 57 1HB LEU 57 -14.719 -10.325 -6.196 432 HB3 LEU 57 2HB LEU 57 -13.572 -9.730 -7.395 433 HD11 LEU 57 1HD1 LEU 57 -16.259 -11.703 -9.152 434 HD12 LEU 57 2HD1 LEU 57 -15.529 -10.099 -9.107 435 HD13 LEU 57 3HD1 LEU 57 -16.464 -10.681 -7.730 436 HD21 LEU 57 3HD2 LEU 57 -13.582 -12.909 -9.282 437 HD22 LEU 57 1HD2 LEU 57 -12.508 -11.675 -8.623 438 HD23 LEU 57 2HD2 LEU 57 -13.690 -11.245 -9.859 439 H GLN 58 H GLN 58 -14.125 -10.388 -4.044 440 HA GLN 58 HA GLN 58 -12.741 -8.024 -3.385 441 HB2 GLN 58 1HB GLN 58 -14.990 -8.228 -2.651 442 HB3 GLN 58 2HB GLN 58 -14.665 -9.756 -1.843 443 HG2 GLN 58 1HG GLN 58 -14.920 -8.004 -0.215 444 HG3 GLN 58 2HG GLN 58 -13.254 -8.579 -0.218 445 HE21 GLN 58 2HE2 GLN 58 -11.834 -7.019 -0.020 446 HE22 GLN 58 1HE2 GLN 58 -11.985 -5.410 -0.632 447 H GLU 59 H GLU 59 -12.189 -11.345 -2.598 448 HA GLU 59 HA GLU 59 -10.715 -11.081 -0.234 449 HB2 GLU 59 1HB GLU 59 -11.560 -13.203 -1.499 450 HB3 GLU 59 2HB GLU 59 -10.001 -13.126 -2.307 451 HG2 GLU 59 1HG GLU 59 -9.549 -14.547 -0.569 452 HG3 GLU 59 2HG GLU 59 -9.053 -12.997 0.108 453 H MET 60 H MET 60 -9.545 -11.278 -3.597 454 HA MET 60 HA MET 60 -6.837 -10.764 -2.917 455 HB2 MET 60 1HB MET 60 -8.171 -10.336 -5.594 456 HB3 MET 60 2HB MET 60 -6.454 -10.570 -5.294 457 HG2 MET 60 1HG MET 60 -8.628 -12.606 -4.861 458 HG3 MET 60 2HG MET 60 -7.464 -12.582 -6.183 459 HE1 MET 60 3HE MET 60 -5.665 -15.378 -4.959 460 HE2 MET 60 1HE MET 60 -6.430 -14.428 -6.233 461 HE3 MET 60 2HE MET 60 -4.805 -14.019 -5.683 462 H ILE 61 H ILE 61 -9.531 -8.729 -3.915 463 HA ILE 61 HA ILE 61 -8.081 -6.362 -4.376 464 HB ILE 61 HB ILE 61 -10.947 -6.783 -3.538 465 HG12 ILE 61 1HG1 ILE 61 -9.672 -6.068 -6.188 466 HG13 ILE 61 2HG1 ILE 61 -10.362 -7.630 -5.762 467 HG21 ILE 61 1HG2 ILE 61 -9.550 -4.236 -4.341 468 HG22 ILE 61 2HG2 ILE 61 -11.300 -4.427 -4.236 469 HG23 ILE 61 3HG2 ILE 61 -10.307 -4.592 -2.788 470 HD11 ILE 61 3HD1 ILE 61 -12.436 -5.914 -5.278 471 HD12 ILE 61 1HD1 ILE 61 -11.660 -5.200 -6.691 472 HD13 ILE 61 2HD1 ILE 61 -12.210 -6.875 -6.739 473 H ASP 62 H ASP 62 -9.053 -7.947 -1.465 474 HA ASP 62 HA ASP 62 -8.994 -5.724 0.285 475 HB2 ASP 62 1HB ASP 62 -10.060 -7.827 0.923 476 HB3 ASP 62 2HB ASP 62 -8.508 -8.657 0.849 477 H GLU 63 H GLU 63 -6.547 -8.194 -0.483 478 HA GLU 63 HA GLU 63 -4.527 -6.985 1.122 479 HB2 GLU 63 1HB GLU 63 -4.271 -9.296 0.735 480 HB3 GLU 63 2HB GLU 63 -4.505 -9.118 -0.999 481 HG2 GLU 63 1HG GLU 63 -2.190 -9.594 -0.495 482 HG3 GLU 63 2HG GLU 63 -2.354 -7.976 -1.175 483 H VAL 64 H VAL 64 -5.673 -6.496 -2.096 484 HA VAL 64 HA VAL 64 -3.297 -5.159 -3.035 485 HB VAL 64 HB VAL 64 -6.067 -5.270 -4.235 486 HG11 VAL 64 1HG1 VAL 64 -3.855 -3.617 -4.867 487 HG12 VAL 64 2HG1 VAL 64 -4.021 -4.811 -6.156 488 HG13 VAL 64 3HG1 VAL 64 -5.385 -3.778 -5.729 489 HG21 VAL 64 3HG2 VAL 64 -4.506 -7.390 -3.929 490 HG22 VAL 64 1HG2 VAL 64 -5.458 -7.140 -5.392 491 HG23 VAL 64 2HG2 VAL 64 -3.743 -6.729 -5.375 492 H ASP 65 H ASP 65 -6.540 -4.203 -1.970 493 HA ASP 65 HA ASP 65 -6.170 -1.424 -2.400 494 HB2 ASP 65 1HB ASP 65 -8.363 -2.782 -2.046 495 HB3 ASP 65 2HB ASP 65 -8.050 -2.523 -0.332 496 H GLU 66 H GLU 66 -4.432 -0.502 -1.453 497 HA GLU 66 HA GLU 66 -3.398 -1.162 1.074 498 HB2 GLU 66 1HB GLU 66 -3.135 1.436 -0.451 499 HB3 GLU 66 2HB GLU 66 -2.119 0.930 0.892 500 HG2 GLU 66 1HG GLU 66 -1.062 -0.713 -0.357 501 HG3 GLU 66 2HG GLU 66 -2.347 -0.760 -1.562 502 H ASP 67 H ASP 67 -5.945 0.992 0.088 503 HA ASP 67 HA ASP 67 -6.142 2.124 2.781 504 HB2 ASP 67 1HB ASP 67 -7.999 3.507 1.646 505 HB3 ASP 67 2HB ASP 67 -6.330 3.836 1.189 506 H GLY 68 H GLY 68 -7.330 -0.459 1.036 507 HA2 GLY 68 1HA GLY 68 -9.080 -1.913 1.340 508 HA3 GLY 68 2HA GLY 68 -9.048 -1.376 3.013 509 H SER 69 H SER 69 -9.788 0.577 0.165 510 HA SER 69 HA SER 69 -12.195 1.542 1.396 511 HG SER 69 HG SER 69 -10.278 2.628 -1.956 512 HB2 SER 69 1HB SER 69 -12.441 2.858 -0.705 513 HB3 SER 69 2HB SER 69 -10.861 3.063 0.052 514 H GLY 70 H GLY 70 -11.375 -0.942 -0.866 515 HA2 GLY 70 1HA GLY 70 -12.912 -2.746 -1.252 516 HA3 GLY 70 2HA GLY 70 -14.235 -1.598 -1.103 517 H THR 71 H THR 71 -11.517 -0.589 -2.941 518 HA THR 71 HA THR 71 -12.589 -1.529 -5.467 519 HB THR 71 HB THR 71 -12.307 1.115 -6.114 520 HG1 THR 71 HG1 THR 71 -13.086 2.355 -4.519 521 HG21 THR 71 3HG2 THR 71 -14.626 -0.657 -5.525 522 HG22 THR 71 1HG2 THR 71 -14.131 0.085 -7.046 523 HG23 THR 71 2HG2 THR 71 -14.935 1.055 -5.812 524 H VAL 72 H VAL 72 -11.146 -1.281 -7.217 525 HA VAL 72 HA VAL 72 -8.377 -0.783 -6.376 526 HB VAL 72 HB VAL 72 -9.583 -2.476 -8.535 527 HG11 VAL 72 1HG1 VAL 72 -7.967 -1.344 -9.804 528 HG12 VAL 72 2HG1 VAL 72 -6.808 -1.328 -8.473 529 HG13 VAL 72 3HG1 VAL 72 -7.178 -2.840 -9.303 530 HG21 VAL 72 3HG2 VAL 72 -7.421 -3.748 -7.339 531 HG22 VAL 72 1HG2 VAL 72 -8.205 -2.874 -6.023 532 HG23 VAL 72 2HG2 VAL 72 -9.129 -4.020 -6.994 533 H ASP 73 H ASP 73 -7.289 0.917 -7.120 534 HA ASP 73 HA ASP 73 -8.534 2.571 -9.191 535 HB2 ASP 73 1HB ASP 73 -6.425 3.132 -7.109 536 HB3 ASP 73 2HB ASP 73 -6.778 4.257 -8.417 537 H PHE 74 H PHE 74 -6.570 3.927 -10.322 538 HA PHE 74 HA PHE 74 -5.506 2.199 -12.234 539 HD1 PHE 74 HD2 PHE 74 -4.272 2.195 -13.841 540 HD2 PHE 74 HD1 PHE 74 -3.143 6.188 -12.892 541 HE1 PHE 74 HE2 PHE 74 -2.517 2.105 -15.562 542 HE2 PHE 74 HE1 PHE 74 -1.387 6.104 -14.613 543 HZ PHE 74 HZ PHE 74 -1.071 4.060 -15.950 544 HB2 PHE 74 1HB PHE 74 -5.811 4.574 -12.674 545 HB3 PHE 74 2HB PHE 74 -4.603 4.980 -11.460 546 H ASP 75 H ASP 75 -4.142 3.423 -9.239 547 HA ASP 75 HA ASP 75 -1.492 2.492 -9.712 548 HB2 ASP 75 1HB ASP 75 -2.993 3.493 -7.321 549 HB3 ASP 75 2HB ASP 75 -1.431 2.710 -7.096 550 H GLU 76 H GLU 76 -4.003 1.310 -7.464 551 HA GLU 76 HA GLU 76 -2.707 -1.053 -6.750 552 HB2 GLU 76 1HB GLU 76 -5.630 -0.321 -6.820 553 HB3 GLU 76 2HB GLU 76 -5.060 -1.864 -6.201 554 HG2 GLU 76 1HG GLU 76 -4.119 -0.932 -4.341 555 HG3 GLU 76 2HG GLU 76 -3.854 0.626 -5.120 556 H TRP 77 H TRP 77 -4.705 -0.289 -9.519 557 HA TRP 77 HA TRP 77 -5.127 -2.957 -10.390 558 HD1 TRP 77 HD1 TRP 77 -7.983 -2.817 -12.338 559 HE1 TRP 77 HE1 TRP 77 -7.887 -3.978 -14.633 560 HE3 TRP 77 HE3 TRP 77 -3.321 -1.322 -13.810 561 HZ2 TRP 77 HZ2 TRP 77 -6.075 -4.228 -16.782 562 HZ3 TRP 77 HZ3 TRP 77 -2.480 -2.067 -15.999 563 HH2 TRP 77 HH2 TRP 77 -3.830 -3.490 -17.453 564 HB2 TRP 77 1HB TRP 77 -6.516 -1.048 -11.133 565 HB3 TRP 77 2HB TRP 77 -5.135 -0.405 -12.017 566 H LEU 78 H LEU 78 -2.632 -0.554 -11.023 567 HA LEU 78 HA LEU 78 -1.337 -2.023 -13.090 568 HG LEU 78 HG LEU 78 -1.830 0.738 -13.551 569 HB2 LEU 78 1HB LEU 78 -0.684 0.349 -11.420 570 HB3 LEU 78 2HB LEU 78 0.630 -0.457 -12.274 571 HD11 LEU 78 1HD1 LEU 78 -0.674 2.630 -13.130 572 HD12 LEU 78 2HD1 LEU 78 0.238 2.121 -14.551 573 HD13 LEU 78 3HD1 LEU 78 0.861 1.781 -12.937 574 HD21 LEU 78 3HD2 LEU 78 -0.460 0.370 -15.645 575 HD22 LEU 78 1HD2 LEU 78 -1.139 -1.075 -14.897 576 HD23 LEU 78 2HD2 LEU 78 0.567 -0.688 -14.677 577 H VAL 79 H VAL 79 -0.584 -1.525 -9.645 578 HA VAL 79 HA VAL 79 1.674 -3.191 -9.561 579 HB VAL 79 HB VAL 79 1.406 -3.215 -7.147 580 HG11 VAL 79 1HG1 VAL 79 0.534 -0.474 -7.970 581 HG12 VAL 79 2HG1 VAL 79 1.742 -0.951 -6.775 582 HG13 VAL 79 3HG1 VAL 79 2.091 -1.113 -8.497 583 HG21 VAL 79 3HG2 VAL 79 -0.933 -3.628 -6.908 584 HG22 VAL 79 1HG2 VAL 79 -0.584 -2.083 -6.132 585 HG23 VAL 79 2HG2 VAL 79 -1.341 -2.119 -7.724 586 H MET 80 H MET 80 -1.731 -3.894 -9.472 587 HA MET 80 HA MET 80 -1.783 -6.384 -8.268 588 HB2 MET 80 1HB MET 80 -3.838 -5.318 -8.862 589 HB3 MET 80 2HB MET 80 -3.403 -5.287 -10.565 590 HG2 MET 80 1HG MET 80 -3.606 -7.677 -10.712 591 HG3 MET 80 2HG MET 80 -3.886 -7.795 -8.977 592 HE1 MET 80 3HE MET 80 -5.339 -6.073 -12.272 593 HE2 MET 80 1HE MET 80 -6.842 -5.437 -11.604 594 HE3 MET 80 2HE MET 80 -5.292 -4.843 -11.008 595 H MET 81 H MET 81 -1.037 -5.559 -11.633 596 HA MET 81 HA MET 81 -0.753 -8.229 -12.533 597 HB2 MET 81 1HB MET 81 -0.915 -5.870 -13.798 598 HB3 MET 81 2HB MET 81 0.830 -6.084 -13.842 599 HG2 MET 81 1HG MET 81 0.086 -7.001 -15.842 600 HG3 MET 81 2HG MET 81 0.351 -8.395 -14.798 601 HE1 MET 81 3HE MET 81 -3.458 -6.266 -14.725 602 HE2 MET 81 1HE MET 81 -2.016 -5.690 -15.564 603 HE3 MET 81 2HE MET 81 -3.293 -6.506 -16.466 604 H ALA 82 H ALA 82 1.556 -5.833 -11.323 605 HA ALA 82 HA ALA 82 3.917 -7.240 -11.793 606 HB1 ALA 82 1HB ALA 82 4.012 -5.775 -9.300 607 HB2 ALA 82 2HB ALA 82 4.853 -5.472 -10.820 608 HB3 ALA 82 3HB ALA 82 3.223 -4.846 -10.575 609 H ARG 83 H ARG 83 1.453 -7.709 -9.400 610 HA ARG 83 HA ARG 83 2.931 -9.125 -7.471 611 HE ARG 83 HE ARG 83 -1.594 -11.061 -6.089 612 HB2 ARG 83 1HB ARG 83 0.570 -8.197 -7.262 613 HB3 ARG 83 2HB ARG 83 0.033 -9.622 -8.141 614 HG2 ARG 83 1HG ARG 83 0.596 -11.060 -6.407 615 HG3 ARG 83 2HG ARG 83 1.683 -9.887 -5.660 616 HD2 ARG 83 1HD ARG 83 -0.028 -9.491 -4.268 617 HD3 ARG 83 2HD ARG 83 -0.693 -8.555 -5.606 618 HH11 ARG 83 1HH1 ARG 83 -1.697 -8.969 -3.309 619 HH12 ARG 83 2HH1 ARG 83 -3.191 -9.615 -2.716 620 HH21 ARG 83 1HH2 ARG 83 -3.561 -11.920 -5.318 621 HH22 ARG 83 2HH2 ARG 83 -4.250 -11.294 -3.859 622 H CYS 84 H CYS 84 1.729 -10.024 -10.584 623 HA CYS 84 HA CYS 84 1.700 -12.839 -10.200 624 HG CYS 84 HG CYS 84 1.602 -14.554 -12.081 625 HB2 CYS 84 1HB CYS 84 0.542 -11.557 -12.054 626 HB3 CYS 84 2HB CYS 84 2.119 -11.394 -12.817 627 H MET 85 H MET 85 4.213 -10.582 -10.510 628 HA MET 85 HA MET 85 6.137 -12.341 -11.723 629 HB2 MET 85 1HB MET 85 6.402 -9.678 -10.326 630 HB3 MET 85 2HB MET 85 7.766 -10.546 -11.017 631 HG2 MET 85 1HG MET 85 5.408 -9.996 -12.740 632 HG3 MET 85 2HG MET 85 6.510 -8.675 -12.358 633 HE1 MET 85 3HE MET 85 8.925 -9.079 -12.239 634 HE2 MET 85 1HE MET 85 9.779 -10.466 -12.917 635 HE3 MET 85 2HE MET 85 9.533 -9.018 -13.894 636 H LYS 86 H LYS 86 5.771 -10.954 -8.457 637 HA LYS 86 HA LYS 86 7.752 -12.716 -7.352 638 HB2 LYS 86 1HB LYS 86 5.889 -10.651 -6.228 639 HB3 LYS 86 2HB LYS 86 6.745 -11.746 -5.150 640 HG2 LYS 86 1HG LYS 86 8.108 -9.872 -5.229 641 HG3 LYS 86 2HG LYS 86 8.864 -10.980 -6.376 642 HD2 LYS 86 1HD LYS 86 6.860 -9.352 -7.669 643 HD3 LYS 86 2HD LYS 86 8.059 -8.349 -6.849 644 HE2 LYS 86 1HE LYS 86 8.770 -10.611 -8.707 645 HE3 LYS 86 2HE LYS 86 8.589 -8.939 -9.237 646 HZ1 LYS 86 3HZ LYS 86 10.903 -9.937 -8.489 647 HZ2 LYS 86 1HZ LYS 86 10.357 -9.434 -6.969 648 HZ3 LYS 86 2HZ LYS 86 10.502 -8.315 -8.228 649 H ASP 87 H ASP 87 6.067 -14.388 -8.543 650 HA ASP 87 HA ASP 87 3.952 -15.290 -6.832 651 HB2 ASP 87 1HB ASP 87 4.001 -15.587 -9.331 652 HB3 ASP 87 2HB ASP 87 5.260 -16.798 -9.102 653 H ASP 88 H ASP 88 4.941 -15.666 -4.827 654 HA ASP 88 HA ASP 88 5.927 -16.918 -3.204 655 HB2 ASP 88 1HB ASP 88 4.556 -18.703 -4.356 656 HB3 ASP 88 2HB ASP 88 6.013 -19.148 -5.241 657 H SER 89 H SER 89 7.592 -15.311 -4.865 658 HA SER 89 HA SER 89 9.988 -16.841 -5.412 659 HG SER 89 HG SER 89 10.238 -12.933 -5.411 660 HB2 SER 89 1HB SER 89 10.921 -14.740 -6.207 661 HB3 SER 89 2HB SER 89 9.297 -14.944 -6.865 Start of MODEL 5 1 HA MET 1 HA MET 1 2.487 -2.592 -2.568 2 H1 MET 1 H MET 1 1.554 -1.723 0.066 3 HB2 MET 1 1HB MET 1 1.967 -0.190 -2.204 4 HB3 MET 1 2HB MET 1 3.238 -0.125 -0.990 5 HG2 MET 1 1HG MET 1 4.911 -0.615 -2.653 6 HG3 MET 1 2HG MET 1 3.668 -0.831 -3.882 7 HE1 MET 1 3HE MET 1 3.972 1.829 -5.728 8 HE2 MET 1 1HE MET 1 5.600 2.001 -5.073 9 HE3 MET 1 2HE MET 1 4.908 0.395 -5.304 10 H ASP 2 H ASP 2 4.747 -2.881 -2.984 11 HA ASP 2 HA ASP 2 6.486 -3.255 -0.674 12 HB2 ASP 2 1HB ASP 2 5.686 -5.461 -2.570 13 HB3 ASP 2 2HB ASP 2 7.159 -5.534 -1.606 14 H ASP 3 H ASP 3 8.735 -3.478 -1.241 15 HA ASP 3 HA ASP 3 9.462 -1.820 -3.443 16 HB2 ASP 3 1HB ASP 3 11.327 -3.532 -1.798 17 HB3 ASP 3 2HB ASP 3 11.712 -2.054 -2.675 18 H ILE 4 H ILE 4 9.176 -5.235 -2.958 19 HA ILE 4 HA ILE 4 10.869 -6.087 -5.070 20 HB ILE 4 HB ILE 4 10.192 -7.620 -3.297 21 HG12 ILE 4 1HG1 ILE 4 8.873 -8.923 -5.590 22 HG13 ILE 4 2HG1 ILE 4 10.444 -8.215 -5.946 23 HG21 ILE 4 1HG2 ILE 4 8.020 -8.300 -2.877 24 HG22 ILE 4 2HG2 ILE 4 7.816 -6.590 -3.253 25 HG23 ILE 4 3HG2 ILE 4 7.450 -7.810 -4.472 26 HD11 ILE 4 3HD1 ILE 4 10.570 -9.689 -3.494 27 HD12 ILE 4 1HD1 ILE 4 9.905 -10.696 -4.780 28 HD13 ILE 4 2HD1 ILE 4 11.475 -9.919 -4.990 29 H TYR 5 H TYR 5 7.506 -5.118 -4.896 30 HA TYR 5 HA TYR 5 6.949 -5.958 -7.609 31 HD1 TYR 5 HD1 TYR 5 5.838 -7.601 -7.449 32 HD2 TYR 5 HD2 TYR 5 3.918 -5.683 -4.173 33 HE1 TYR 5 HE1 TYR 5 5.088 -9.790 -6.615 34 HE2 TYR 5 HE2 TYR 5 3.163 -7.866 -3.329 35 HH TYR 5 HH TYR 5 2.783 -10.094 -4.068 36 HB2 TYR 5 1HB TYR 5 5.312 -4.433 -5.578 37 HB3 TYR 5 2HB TYR 5 4.733 -4.849 -7.186 38 H LYS 6 H LYS 6 7.391 -2.916 -5.851 39 HA LYS 6 HA LYS 6 6.880 -1.174 -7.991 40 HB2 LYS 6 1HB LYS 6 7.681 0.527 -6.627 41 HB3 LYS 6 2HB LYS 6 7.175 -0.685 -5.457 42 HG2 LYS 6 1HG LYS 6 9.204 -0.218 -4.585 43 HG3 LYS 6 2HG LYS 6 9.713 -1.441 -5.752 44 HD2 LYS 6 1HD LYS 6 9.819 0.740 -7.313 45 HD3 LYS 6 2HD LYS 6 10.148 1.485 -5.747 46 HE2 LYS 6 1HE LYS 6 11.614 -0.998 -6.497 47 HE3 LYS 6 2HE LYS 6 12.093 0.527 -7.242 48 HZ1 LYS 6 3HZ LYS 6 11.787 0.327 -4.317 49 HZ2 LYS 6 1HZ LYS 6 12.714 1.417 -5.218 50 HZ3 LYS 6 2HZ LYS 6 13.213 -0.191 -5.063 51 H ALA 7 H ALA 7 9.644 -3.105 -7.201 52 HA ALA 7 HA ALA 7 11.599 -1.690 -8.676 53 HB1 ALA 7 1HB ALA 7 12.334 -3.265 -7.057 54 HB2 ALA 7 2HB ALA 7 11.426 -4.571 -7.820 55 HB3 ALA 7 3HB ALA 7 12.830 -3.880 -8.634 56 H ALA 8 H ALA 8 9.442 -4.375 -9.520 57 HA ALA 8 HA ALA 8 10.449 -4.546 -12.212 58 HB1 ALA 8 1HB ALA 8 8.945 -6.201 -10.520 59 HB2 ALA 8 2HB ALA 8 7.901 -5.822 -11.890 60 HB3 ALA 8 3HB ALA 8 9.486 -6.545 -12.163 61 H VAL 9 H VAL 9 7.918 -2.849 -10.561 62 HA VAL 9 HA VAL 9 6.320 -2.281 -12.859 63 HB VAL 9 HB VAL 9 6.446 -0.890 -10.180 64 HG11 VAL 9 1HG1 VAL 9 4.414 -0.656 -12.397 65 HG12 VAL 9 2HG1 VAL 9 4.257 0.050 -10.788 66 HG13 VAL 9 3HG1 VAL 9 5.538 0.596 -11.871 67 HG21 VAL 9 3HG2 VAL 9 4.950 -2.383 -9.388 68 HG22 VAL 9 1HG2 VAL 9 4.128 -2.542 -10.940 69 HG23 VAL 9 2HG2 VAL 9 5.629 -3.419 -10.643 70 H GLU 10 H GLU 10 8.728 -0.425 -11.015 71 HA GLU 10 HA GLU 10 8.588 1.888 -12.642 72 HB2 GLU 10 1HB GLU 10 10.340 0.883 -10.485 73 HB3 GLU 10 2HB GLU 10 11.077 2.041 -11.582 74 HG2 GLU 10 1HG GLU 10 8.503 3.003 -10.861 75 HG3 GLU 10 2HG GLU 10 9.361 2.533 -9.395 76 H GLN 11 H GLN 11 10.280 -1.125 -12.925 77 HA GLN 11 HA GLN 11 12.054 -0.119 -14.999 78 HB2 GLN 11 1HB GLN 11 13.236 -2.098 -14.804 79 HB3 GLN 11 2HB GLN 11 12.610 -1.898 -13.173 80 HG2 GLN 11 1HG GLN 11 10.722 -3.410 -13.804 81 HG3 GLN 11 2HG GLN 11 11.563 -3.719 -15.323 82 HE21 GLN 11 2HE2 GLN 11 11.251 -5.932 -14.241 83 HE22 GLN 11 1HE2 GLN 11 12.586 -6.496 -13.301 84 H LEU 12 H LEU 12 8.960 -0.605 -15.090 85 HA LEU 12 HA LEU 12 8.537 -2.556 -17.098 86 HG LEU 12 HG LEU 12 6.949 -2.321 -14.690 87 HB2 LEU 12 1HB LEU 12 6.927 -0.252 -16.059 88 HB3 LEU 12 2HB LEU 12 6.369 -1.205 -17.433 89 HD11 LEU 12 1HD1 LEU 12 5.061 -0.915 -14.460 90 HD12 LEU 12 2HD1 LEU 12 4.441 -2.557 -14.618 91 HD13 LEU 12 3HD1 LEU 12 4.380 -1.456 -15.994 92 HD21 LEU 12 3HD2 LEU 12 5.646 -3.532 -17.127 93 HD22 LEU 12 1HD2 LEU 12 5.765 -4.295 -15.541 94 HD23 LEU 12 2HD2 LEU 12 7.227 -3.953 -16.467 95 H THR 13 H THR 13 7.338 -1.767 -19.206 96 HA THR 13 HA THR 13 9.251 -0.033 -20.584 97 HB THR 13 HB THR 13 7.168 -1.934 -21.673 98 HG1 THR 13 HG1 THR 13 9.221 -2.933 -22.446 99 HG21 THR 13 3HG2 THR 13 8.774 0.180 -22.959 100 HG22 THR 13 1HG2 THR 13 7.251 -0.550 -23.462 101 HG23 THR 13 2HG2 THR 13 8.773 -1.384 -23.774 102 H GLU 14 H GLU 14 8.657 1.779 -21.734 103 HA GLU 14 HA GLU 14 6.631 3.386 -20.786 104 HB2 GLU 14 1HB GLU 14 7.854 3.443 -23.550 105 HB3 GLU 14 2HB GLU 14 6.959 4.759 -22.804 106 HG2 GLU 14 1HG GLU 14 8.644 5.134 -21.204 107 HG3 GLU 14 2HG GLU 14 9.448 3.612 -21.583 108 H GLU 15 H GLU 15 6.584 1.252 -23.616 109 HA GLU 15 HA GLU 15 4.011 1.941 -24.521 110 HB2 GLU 15 1HB GLU 15 5.841 -0.383 -24.935 111 HB3 GLU 15 2HB GLU 15 4.171 -0.522 -25.464 112 HG2 GLU 15 1HG GLU 15 5.798 1.845 -26.273 113 HG3 GLU 15 2HG GLU 15 5.988 0.307 -27.114 114 H GLN 16 H GLN 16 5.132 -0.460 -22.197 115 HA GLN 16 HA GLN 16 2.718 -1.844 -21.852 116 HB2 GLN 16 1HB GLN 16 5.039 -1.380 -19.981 117 HB3 GLN 16 2HB GLN 16 3.685 -2.430 -19.585 118 HG2 GLN 16 1HG GLN 16 5.282 -2.824 -22.086 119 HG3 GLN 16 2HG GLN 16 5.806 -3.489 -20.540 120 HE21 GLN 16 2HE2 GLN 16 4.525 -5.074 -19.530 121 HE22 GLN 16 1HE2 GLN 16 3.389 -6.016 -20.428 122 H LYS 17 H LYS 17 4.111 0.735 -19.818 123 HA LYS 17 HA LYS 17 1.987 1.067 -18.080 124 HB2 LYS 17 1HB LYS 17 3.786 3.249 -19.150 125 HB3 LYS 17 2HB LYS 17 2.853 3.312 -17.661 126 HG2 LYS 17 1HG LYS 17 5.039 1.315 -18.200 127 HG3 LYS 17 2HG LYS 17 5.269 2.838 -17.338 128 HD2 LYS 17 1HD LYS 17 3.231 0.794 -16.489 129 HD3 LYS 17 2HD LYS 17 4.901 0.759 -15.918 130 HE2 LYS 17 1HE LYS 17 4.580 3.120 -15.136 131 HE3 LYS 17 2HE LYS 17 2.869 2.950 -15.526 132 HZ1 LYS 17 3HZ LYS 17 3.192 0.812 -14.019 133 HZ2 LYS 17 1HZ LYS 17 2.801 2.325 -13.369 134 HZ3 LYS 17 2HZ LYS 17 4.402 1.780 -13.341 135 H ASN 18 H ASN 18 2.432 2.356 -21.323 136 HA ASN 18 HA ASN 18 0.243 4.151 -21.277 137 HB2 ASN 18 1HB ASN 18 2.081 3.051 -23.304 138 HB3 ASN 18 2HB ASN 18 0.496 3.515 -23.917 139 HD21 ASN 18 2HD2 ASN 18 3.398 4.615 -23.929 140 HD22 ASN 18 1HD2 ASN 18 3.163 6.302 -23.639 141 H GLU 19 H GLU 19 0.565 0.749 -22.109 142 HA GLU 19 HA GLU 19 -2.018 0.447 -23.243 143 HB2 GLU 19 1HB GLU 19 0.070 -1.429 -22.205 144 HB3 GLU 19 2HB GLU 19 -1.541 -2.042 -22.551 145 HG2 GLU 19 1HG GLU 19 -1.200 -0.864 -24.845 146 HG3 GLU 19 2HG GLU 19 0.508 -0.949 -24.418 147 H PHE 20 H PHE 20 -0.734 0.087 -19.981 148 HA PHE 20 HA PHE 20 -3.016 -1.072 -18.808 149 HD1 PHE 20 HD2 PHE 20 -1.841 -2.677 -18.655 150 HD2 PHE 20 HD1 PHE 20 1.080 -0.259 -16.721 151 HE1 PHE 20 HE2 PHE 20 -0.215 -4.516 -18.819 152 HE2 PHE 20 HE1 PHE 20 2.711 -2.094 -16.883 153 HZ PHE 20 HZ PHE 20 2.065 -4.227 -17.932 154 HB2 PHE 20 1HB PHE 20 -0.933 0.703 -17.517 155 HB3 PHE 20 2HB PHE 20 -2.051 -0.360 -16.669 156 H LYS 21 H LYS 21 -2.059 2.285 -19.314 157 HA LYS 21 HA LYS 21 -4.232 3.405 -17.844 158 HB2 LYS 21 1HB LYS 21 -1.970 4.485 -18.517 159 HB3 LYS 21 2HB LYS 21 -2.773 4.844 -20.040 160 HG2 LYS 21 1HG LYS 21 -4.311 6.278 -19.030 161 HG3 LYS 21 2HG LYS 21 -3.981 5.641 -17.417 162 HD2 LYS 21 1HD LYS 21 -1.825 6.679 -17.376 163 HD3 LYS 21 2HD LYS 21 -1.957 7.141 -19.074 164 HE2 LYS 21 1HE LYS 21 -3.664 8.721 -18.598 165 HE3 LYS 21 2HE LYS 21 -3.865 8.109 -16.957 166 HZ1 LYS 21 3HZ LYS 21 -2.383 9.589 -16.287 167 HZ2 LYS 21 1HZ LYS 21 -2.136 10.125 -17.872 168 HZ3 LYS 21 2HZ LYS 21 -1.200 8.860 -17.252 169 H ALA 22 H ALA 22 -3.781 2.325 -21.120 170 HA ALA 22 HA ALA 22 -6.137 3.640 -22.135 171 HB1 ALA 22 1HB ALA 22 -5.034 1.387 -23.667 172 HB2 ALA 22 2HB ALA 22 -5.408 3.035 -24.174 173 HB3 ALA 22 3HB ALA 22 -3.899 2.694 -23.327 174 H ALA 23 H ALA 23 -5.289 0.482 -20.877 175 HA ALA 23 HA ALA 23 -7.827 -0.692 -21.625 176 HB1 ALA 23 1HB ALA 23 -5.270 -1.649 -20.678 177 HB2 ALA 23 2HB ALA 23 -6.605 -2.389 -19.794 178 HB3 ALA 23 3HB ALA 23 -6.541 -2.505 -21.552 179 H PHE 24 H PHE 24 -6.238 0.452 -18.679 180 HA PHE 24 HA PHE 24 -8.116 -0.374 -16.805 181 HD1 PHE 24 HD1 PHE 24 -7.499 0.012 -14.023 182 HD2 PHE 24 HD2 PHE 24 -7.439 3.821 -15.920 183 HE1 PHE 24 HE1 PHE 24 -8.511 1.021 -12.021 184 HE2 PHE 24 HE2 PHE 24 -8.451 4.837 -13.921 185 HZ PHE 24 HZ PHE 24 -8.988 3.436 -11.967 186 HB2 PHE 24 1HB PHE 24 -6.062 0.496 -16.000 187 HB3 PHE 24 2HB PHE 24 -6.273 2.010 -16.875 188 H ASP 25 H ASP 25 -8.212 2.263 -19.074 189 HA ASP 25 HA ASP 25 -10.301 3.745 -17.864 190 HB2 ASP 25 1HB ASP 25 -8.746 4.608 -19.633 191 HB3 ASP 25 2HB ASP 25 -9.614 3.620 -20.806 192 H ILE 26 H ILE 26 -10.233 0.904 -19.853 193 HA ILE 26 HA ILE 26 -12.939 1.007 -20.732 194 HB ILE 26 HB ILE 26 -11.347 -1.525 -20.407 195 HG12 ILE 26 1HG1 ILE 26 -9.835 -0.022 -21.505 196 HG13 ILE 26 2HG1 ILE 26 -10.515 -1.076 -22.739 197 HG21 ILE 26 1HG2 ILE 26 -13.707 -1.715 -21.055 198 HG22 ILE 26 2HG2 ILE 26 -13.401 -0.672 -22.443 199 HG23 ILE 26 3HG2 ILE 26 -12.625 -2.252 -22.340 200 HD11 ILE 26 3HD1 ILE 26 -10.576 1.784 -22.540 201 HD12 ILE 26 1HD1 ILE 26 -11.032 0.740 -23.886 202 HD13 ILE 26 2HD1 ILE 26 -12.212 1.134 -22.635 203 H PHE 27 H PHE 27 -11.332 -0.970 -18.233 204 HA PHE 27 HA PHE 27 -13.557 -2.241 -17.210 205 HD1 PHE 27 HD1 PHE 27 -10.210 -2.691 -18.072 206 HD2 PHE 27 HD2 PHE 27 -12.402 -4.442 -14.872 207 HE1 PHE 27 HE1 PHE 27 -9.465 -4.924 -18.789 208 HE2 PHE 27 HE2 PHE 27 -11.659 -6.678 -15.582 209 HZ PHE 27 HZ PHE 27 -10.188 -6.921 -17.542 210 HB2 PHE 27 1HB PHE 27 -10.949 -1.400 -15.991 211 HB3 PHE 27 2HB PHE 27 -12.192 -2.133 -14.982 212 H VAL 28 H VAL 28 -12.280 0.958 -16.417 213 HA VAL 28 HA VAL 28 -14.357 1.438 -14.455 214 HB VAL 28 HB VAL 28 -13.332 3.578 -14.091 215 HG11 VAL 28 1HG1 VAL 28 -11.666 2.662 -12.935 216 HG12 VAL 28 2HG1 VAL 28 -12.021 1.146 -13.765 217 HG13 VAL 28 3HG1 VAL 28 -10.793 2.237 -14.406 218 HG21 VAL 28 3HG2 VAL 28 -11.991 3.022 -16.705 219 HG22 VAL 28 1HG2 VAL 28 -12.828 4.476 -16.162 220 HG23 VAL 28 2HG2 VAL 28 -11.227 4.092 -15.529 221 H LEU 29 H LEU 29 -14.029 1.720 -17.806 222 HA LEU 29 HA LEU 29 -15.419 4.042 -18.431 223 HG LEU 29 HG LEU 29 -16.640 0.812 -19.584 224 HB2 LEU 29 1HB LEU 29 -15.327 3.302 -20.543 225 HB3 LEU 29 2HB LEU 29 -14.305 2.038 -19.859 226 HD11 LEU 29 1HD1 LEU 29 -18.327 1.462 -20.938 227 HD12 LEU 29 2HD1 LEU 29 -17.241 2.098 -22.173 228 HD13 LEU 29 3HD1 LEU 29 -17.580 3.046 -20.725 229 HD21 LEU 29 3HD2 LEU 29 -16.175 0.191 -22.176 230 HD22 LEU 29 1HD2 LEU 29 -15.241 -0.441 -20.820 231 HD23 LEU 29 2HD2 LEU 29 -14.639 0.941 -21.735 232 H GLY 30 H GLY 30 -16.560 1.072 -17.088 233 HA2 GLY 30 1HA GLY 30 -19.331 1.545 -17.791 234 HA3 GLY 30 2HA GLY 30 -18.714 0.239 -16.790 235 H ALA 31 H ALA 31 -17.210 2.326 -15.178 236 HA ALA 31 HA ALA 31 -19.234 2.688 -13.192 237 HB1 ALA 31 1HB ALA 31 -17.363 4.006 -12.043 238 HB2 ALA 31 2HB ALA 31 -17.100 2.285 -12.332 239 HB3 ALA 31 3HB ALA 31 -16.349 3.481 -13.388 240 H GLU 32 H GLU 32 -19.008 5.057 -12.061 241 HA GLU 32 HA GLU 32 -19.898 6.927 -14.150 242 HB2 GLU 32 1HB GLU 32 -21.012 8.116 -12.203 243 HB3 GLU 32 2HB GLU 32 -21.675 6.547 -12.636 244 HG2 GLU 32 1HG GLU 32 -19.593 6.715 -10.513 245 HG3 GLU 32 2HG GLU 32 -21.254 7.173 -10.141 246 H ASP 33 H ASP 33 -17.725 6.505 -11.450 247 HA ASP 33 HA ASP 33 -16.713 9.239 -11.792 248 HB2 ASP 33 1HB ASP 33 -16.339 7.210 -9.586 249 HB3 ASP 33 2HB ASP 33 -15.437 8.721 -9.668 250 H GLY 34 H GLY 34 -15.810 5.860 -12.031 251 HA2 GLY 34 1HA GLY 34 -14.152 5.407 -13.824 252 HA3 GLY 34 2HA GLY 34 -13.202 6.712 -13.131 253 H CYS 35 H CYS 35 -14.865 3.861 -11.781 254 HA CYS 35 HA CYS 35 -12.304 2.826 -10.852 255 HG CYS 35 HG CYS 35 -11.547 4.867 -9.282 256 HB2 CYS 35 1HB CYS 35 -14.612 3.408 -8.985 257 HB3 CYS 35 2HB CYS 35 -13.155 2.524 -8.548 258 H ILE 36 H ILE 36 -12.765 0.670 -9.600 259 HA ILE 36 HA ILE 36 -14.879 -0.787 -11.049 260 HB ILE 36 HB ILE 36 -12.156 -1.859 -10.301 261 HG12 ILE 36 1HG1 ILE 36 -12.861 -1.831 -13.127 262 HG13 ILE 36 2HG1 ILE 36 -12.831 -0.212 -12.438 263 HG21 ILE 36 1HG2 ILE 36 -14.615 -3.089 -11.447 264 HG22 ILE 36 2HG2 ILE 36 -13.040 -3.684 -11.968 265 HG23 ILE 36 3HG2 ILE 36 -13.479 -3.732 -10.261 266 HD11 ILE 36 3HD1 ILE 36 -10.683 -1.305 -13.471 267 HD12 ILE 36 1HD1 ILE 36 -10.589 -0.274 -12.044 268 HD13 ILE 36 2HD1 ILE 36 -10.554 -2.029 -11.869 269 H SER 37 H SER 37 -16.350 -1.642 -9.751 270 HA SER 37 HA SER 37 -15.743 -1.969 -6.913 271 HG SER 37 HG SER 37 -18.325 -1.575 -9.420 272 HB2 SER 37 1HB SER 37 -18.208 -2.291 -6.683 273 HB3 SER 37 2HB SER 37 -17.775 -0.748 -7.419 274 H THR 38 H THR 38 -15.918 -3.896 -5.815 275 HA THR 38 HA THR 38 -15.138 -6.235 -7.042 276 HB THR 38 HB THR 38 -14.882 -6.145 -4.702 277 HG1 THR 38 HG1 THR 38 -17.096 -7.900 -4.935 278 HG21 THR 38 3HG2 THR 38 -17.569 -5.048 -4.773 279 HG22 THR 38 1HG2 THR 38 -16.312 -4.869 -3.550 280 HG23 THR 38 2HG2 THR 38 -17.385 -6.268 -3.514 281 H LYS 39 H LYS 39 -18.341 -4.917 -6.698 282 HA LYS 39 HA LYS 39 -19.839 -7.252 -7.177 283 HB2 LYS 39 1HB LYS 39 -20.876 -5.234 -6.307 284 HB3 LYS 39 2HB LYS 39 -20.482 -4.360 -7.782 285 HG2 LYS 39 1HG LYS 39 -22.776 -4.920 -7.897 286 HG3 LYS 39 2HG LYS 39 -21.932 -5.989 -9.020 287 HD2 LYS 39 1HD LYS 39 -23.431 -7.388 -7.881 288 HD3 LYS 39 2HD LYS 39 -21.876 -7.673 -7.097 289 HE2 LYS 39 1HE LYS 39 -22.499 -6.598 -5.169 290 HE3 LYS 39 2HE LYS 39 -23.660 -5.560 -5.995 291 HZ1 LYS 39 3HZ LYS 39 -25.216 -6.938 -5.259 292 HZ2 LYS 39 1HZ LYS 39 -24.079 -8.070 -4.721 293 HZ3 LYS 39 2HZ LYS 39 -24.618 -8.110 -6.323 294 H GLU 40 H GLU 40 -18.717 -4.713 -9.407 295 HA GLU 40 HA GLU 40 -19.677 -6.128 -11.718 296 HB2 GLU 40 1HB GLU 40 -17.723 -3.830 -11.690 297 HB3 GLU 40 2HB GLU 40 -18.786 -4.324 -13.001 298 HG2 GLU 40 1HG GLU 40 -19.742 -3.258 -10.355 299 HG3 GLU 40 2HG GLU 40 -19.522 -2.281 -11.806 300 H LEU 41 H LEU 41 -16.562 -5.632 -10.140 301 HA LEU 41 HA LEU 41 -14.848 -6.661 -12.046 302 HG LEU 41 HG LEU 41 -13.016 -8.416 -9.785 303 HB2 LEU 41 1HB LEU 41 -14.085 -5.620 -9.987 304 HB3 LEU 41 2HB LEU 41 -14.715 -6.973 -9.050 305 HD11 LEU 41 1HD1 LEU 41 -12.665 -8.292 -12.008 306 HD12 LEU 41 2HD1 LEU 41 -11.326 -7.253 -11.523 307 HD13 LEU 41 3HD1 LEU 41 -12.849 -6.539 -12.051 308 HD21 LEU 41 3HD2 LEU 41 -12.100 -5.667 -9.095 309 HD22 LEU 41 1HD2 LEU 41 -10.899 -6.879 -9.542 310 HD23 LEU 41 2HD2 LEU 41 -11.974 -7.166 -8.173 311 H GLY 42 H GLY 42 -17.027 -8.343 -9.884 312 HA2 GLY 42 1HA GLY 42 -15.936 -10.941 -10.208 313 HA3 GLY 42 2HA GLY 42 -17.565 -10.567 -9.664 314 H LYS 43 H LYS 43 -18.141 -9.034 -12.129 315 HA LYS 43 HA LYS 43 -19.181 -11.191 -13.669 316 HB2 LYS 43 1HB LYS 43 -19.402 -8.285 -13.621 317 HB3 LYS 43 2HB LYS 43 -19.375 -8.925 -15.259 318 HG2 LYS 43 1HG LYS 43 -21.160 -10.589 -14.314 319 HG3 LYS 43 2HG LYS 43 -21.378 -9.332 -13.094 320 HD2 LYS 43 1HD LYS 43 -22.630 -8.170 -14.516 321 HD3 LYS 43 2HD LYS 43 -21.273 -8.078 -15.641 322 HE2 LYS 43 1HE LYS 43 -23.241 -9.057 -16.704 323 HE3 LYS 43 2HE LYS 43 -21.920 -10.221 -16.610 324 HZ1 LYS 43 3HZ LYS 43 -23.782 -10.241 -14.383 325 HZ2 LYS 43 1HZ LYS 43 -23.060 -11.532 -15.204 326 HZ3 LYS 43 2HZ LYS 43 -24.413 -10.761 -15.863 327 H VAL 44 H VAL 44 -16.767 -8.675 -14.421 328 HA VAL 44 HA VAL 44 -16.013 -9.522 -16.932 329 HB VAL 44 HB VAL 44 -14.173 -8.391 -14.819 330 HG11 VAL 44 1HG1 VAL 44 -13.884 -8.930 -17.719 331 HG12 VAL 44 2HG1 VAL 44 -13.203 -7.424 -17.100 332 HG13 VAL 44 3HG1 VAL 44 -12.680 -8.971 -16.432 333 HG21 VAL 44 3HG2 VAL 44 -15.339 -6.507 -14.979 334 HG22 VAL 44 1HG2 VAL 44 -14.956 -6.438 -16.699 335 HG23 VAL 44 2HG2 VAL 44 -16.425 -7.247 -16.154 336 H MET 45 H MET 45 -15.198 -10.884 -13.825 337 HA MET 45 HA MET 45 -12.960 -12.388 -14.421 338 HB2 MET 45 1HB MET 45 -15.296 -13.097 -12.640 339 HB3 MET 45 2HB MET 45 -13.764 -13.962 -12.655 340 HG2 MET 45 1HG MET 45 -13.522 -11.067 -12.290 341 HG3 MET 45 2HG MET 45 -14.380 -11.905 -10.999 342 HE1 MET 45 3HE MET 45 -11.605 -13.904 -13.016 343 HE2 MET 45 1HE MET 45 -11.300 -12.194 -13.324 344 HE3 MET 45 2HE MET 45 -10.156 -13.136 -12.367 345 H ARG 46 H ARG 46 -16.273 -12.896 -15.368 346 HA ARG 46 HA ARG 46 -16.127 -15.610 -16.083 347 HE ARG 46 HE ARG 46 -19.296 -10.472 -17.170 348 HB2 ARG 46 1HB ARG 46 -18.165 -15.278 -17.241 349 HB3 ARG 46 2HB ARG 46 -18.209 -14.177 -15.871 350 HG2 ARG 46 1HG ARG 46 -17.198 -12.500 -17.647 351 HG3 ARG 46 2HG ARG 46 -18.004 -13.596 -18.771 352 HD2 ARG 46 1HD ARG 46 -20.102 -13.084 -17.977 353 HD3 ARG 46 2HD ARG 46 -19.500 -12.606 -16.391 354 HH11 ARG 46 1HH1 ARG 46 -19.436 -12.644 -19.888 355 HH12 ARG 46 2HH1 ARG 46 -19.486 -11.374 -21.066 356 HH21 ARG 46 1HH2 ARG 46 -19.361 -8.792 -18.712 357 HH22 ARG 46 2HH2 ARG 46 -19.442 -9.184 -20.396 358 H MET 47 H MET 47 -15.196 -12.679 -17.767 359 HA MET 47 HA MET 47 -14.866 -13.824 -20.333 360 HB2 MET 47 1HB MET 47 -13.588 -11.390 -19.079 361 HB3 MET 47 2HB MET 47 -13.455 -11.812 -20.781 362 HG2 MET 47 1HG MET 47 -16.108 -11.844 -20.560 363 HG3 MET 47 2HG MET 47 -15.739 -10.704 -19.269 364 HE1 MET 47 3HE MET 47 -15.078 -11.012 -23.471 365 HE2 MET 47 1HE MET 47 -16.539 -11.400 -22.562 366 HE3 MET 47 2HE MET 47 -16.424 -9.872 -23.435 367 H LEU 48 H LEU 48 -12.743 -13.493 -17.548 368 HA LEU 48 HA LEU 48 -10.364 -14.310 -18.863 369 HG LEU 48 HG LEU 48 -9.339 -12.565 -15.769 370 HB2 LEU 48 1HB LEU 48 -11.214 -14.156 -15.993 371 HB3 LEU 48 2HB LEU 48 -9.656 -14.844 -16.446 372 HD11 LEU 48 1HD1 LEU 48 -8.119 -13.512 -17.786 373 HD12 LEU 48 2HD1 LEU 48 -8.128 -11.758 -17.611 374 HD13 LEU 48 3HD1 LEU 48 -9.208 -12.534 -18.769 375 HD21 LEU 48 3HD2 LEU 48 -10.565 -10.756 -16.478 376 HD22 LEU 48 1HD2 LEU 48 -11.803 -12.012 -16.466 377 HD23 LEU 48 2HD2 LEU 48 -11.047 -11.534 -17.986 378 H GLY 49 H GLY 49 -13.068 -16.010 -17.530 379 HA2 GLY 49 1HA GLY 49 -13.465 -18.276 -18.281 380 HA3 GLY 49 2HA GLY 49 -11.731 -18.550 -18.209 381 H GLN 50 H GLN 50 -13.036 -16.763 -15.606 382 HA GLN 50 HA GLN 50 -13.223 -19.179 -13.944 383 HB2 GLN 50 1HB GLN 50 -11.697 -16.656 -13.285 384 HB3 GLN 50 2HB GLN 50 -12.049 -17.930 -12.125 385 HG2 GLN 50 1HG GLN 50 -10.703 -19.491 -13.310 386 HG3 GLN 50 2HG GLN 50 -10.514 -18.383 -14.668 387 HE21 GLN 50 2HE2 GLN 50 -10.250 -17.847 -11.180 388 HE22 GLN 50 1HE2 GLN 50 -8.618 -17.281 -11.214 389 H ASN 51 H ASN 51 -14.470 -18.927 -11.999 390 HA ASN 51 HA ASN 51 -16.169 -16.543 -11.884 391 HB2 ASN 51 1HB ASN 51 -17.445 -18.150 -13.190 392 HB3 ASN 51 2HB ASN 51 -17.192 -19.389 -11.965 393 HD21 ASN 51 2HD2 ASN 51 -18.989 -19.756 -10.905 394 HD22 ASN 51 1HD2 ASN 51 -20.122 -18.566 -10.370 395 HA PRO 52 HA PRO 52 -14.582 -17.994 -7.740 396 HB2 PRO 52 1HB PRO 52 -13.565 -15.588 -7.003 397 HB3 PRO 52 2HB PRO 52 -12.642 -16.778 -7.928 398 HG2 PRO 52 1HG PRO 52 -14.103 -14.350 -8.892 399 HG3 PRO 52 2HG PRO 52 -12.504 -14.954 -9.364 400 HD2 PRO 52 1HD PRO 52 -14.716 -15.355 -10.873 401 HD3 PRO 52 2HD PRO 52 -13.383 -16.526 -10.802 402 H THR 53 H THR 53 -15.369 -17.393 -5.664 403 HA THR 53 HA THR 53 -18.030 -16.600 -5.558 404 HB THR 53 HB THR 53 -17.262 -16.035 -3.034 405 HG1 THR 53 HG1 THR 53 -15.397 -18.029 -3.736 406 HG21 THR 53 3HG2 THR 53 -18.765 -17.737 -3.119 407 HG22 THR 53 1HG2 THR 53 -17.321 -18.707 -2.833 408 HG23 THR 53 2HG2 THR 53 -17.955 -18.531 -4.469 409 HA PRO 54 HA PRO 54 -18.115 -12.212 -5.557 410 HB2 PRO 54 1HB PRO 54 -20.031 -11.674 -3.711 411 HB3 PRO 54 2HB PRO 54 -20.394 -12.354 -5.301 412 HG2 PRO 54 1HG PRO 54 -20.142 -13.741 -2.660 413 HG3 PRO 54 2HG PRO 54 -21.349 -13.978 -3.937 414 HD2 PRO 54 1HD PRO 54 -19.234 -15.637 -3.603 415 HD3 PRO 54 2HD PRO 54 -19.939 -15.297 -5.197 416 H GLU 55 H GLU 55 -18.245 -13.493 -2.228 417 HA GLU 55 HA GLU 55 -17.197 -11.197 -0.987 418 HB2 GLU 55 1HB GLU 55 -17.242 -14.090 -0.131 419 HB3 GLU 55 2HB GLU 55 -16.653 -12.794 0.900 420 HG2 GLU 55 1HG GLU 55 -18.923 -11.703 0.556 421 HG3 GLU 55 2HG GLU 55 -19.439 -13.253 -0.107 422 H GLU 56 H GLU 56 -15.675 -13.933 -2.535 423 HA GLU 56 HA GLU 56 -13.071 -13.567 -1.498 424 HB2 GLU 56 1HB GLU 56 -14.016 -15.604 -2.725 425 HB3 GLU 56 2HB GLU 56 -13.698 -14.718 -4.210 426 HG2 GLU 56 1HG GLU 56 -11.723 -15.759 -4.133 427 HG3 GLU 56 2HG GLU 56 -11.305 -14.496 -2.977 428 H LEU 57 H LEU 57 -14.844 -12.043 -4.071 429 HA LEU 57 HA LEU 57 -12.701 -10.963 -5.533 430 HG LEU 57 HG LEU 57 -15.200 -12.167 -6.362 431 HB2 LEU 57 1HB LEU 57 -15.505 -9.941 -5.125 432 HB3 LEU 57 2HB LEU 57 -14.369 -9.281 -6.300 433 HD11 LEU 57 1HD1 LEU 57 -17.201 -10.660 -6.420 434 HD12 LEU 57 2HD1 LEU 57 -16.971 -11.651 -7.860 435 HD13 LEU 57 3HD1 LEU 57 -16.535 -9.943 -7.888 436 HD21 LEU 57 3HD2 LEU 57 -13.226 -10.926 -7.678 437 HD22 LEU 57 1HD2 LEU 57 -14.563 -10.585 -8.776 438 HD23 LEU 57 2HD2 LEU 57 -14.159 -12.253 -8.370 439 H GLN 58 H GLN 58 -14.727 -9.431 -3.028 440 HA GLN 58 HA GLN 58 -13.238 -7.052 -2.873 441 HB2 GLN 58 1HB GLN 58 -15.434 -7.042 -1.974 442 HB3 GLN 58 2HB GLN 58 -15.095 -8.418 -0.933 443 HG2 GLN 58 1HG GLN 58 -15.197 -6.400 0.374 444 HG3 GLN 58 2HG GLN 58 -13.551 -7.033 0.374 445 HE21 GLN 58 2HE2 GLN 58 -12.087 -5.508 0.232 446 HE22 GLN 58 1HE2 GLN 58 -12.226 -4.030 -0.651 447 H GLU 59 H GLU 59 -12.704 -10.199 -1.548 448 HA GLU 59 HA GLU 59 -11.073 -9.577 0.638 449 HB2 GLU 59 1HB GLU 59 -11.750 -11.924 -0.902 450 HB3 GLU 59 2HB GLU 59 -10.040 -11.930 -0.494 451 HG2 GLU 59 1HG GLU 59 -12.145 -11.422 1.575 452 HG3 GLU 59 2HG GLU 59 -11.662 -13.055 1.121 453 H MET 60 H MET 60 -10.124 -10.391 -2.702 454 HA MET 60 HA MET 60 -7.371 -9.844 -2.288 455 HB2 MET 60 1HB MET 60 -8.857 -9.836 -4.917 456 HB3 MET 60 2HB MET 60 -7.134 -10.086 -4.674 457 HG2 MET 60 1HG MET 60 -7.576 -12.181 -3.534 458 HG3 MET 60 2HG MET 60 -9.310 -11.924 -3.707 459 HE1 MET 60 3HE MET 60 -7.416 -14.224 -4.311 460 HE2 MET 60 1HE MET 60 -7.797 -14.885 -5.902 461 HE3 MET 60 2HE MET 60 -6.344 -13.911 -5.678 462 H ILE 61 H ILE 61 -10.101 -7.916 -3.341 463 HA ILE 61 HA ILE 61 -8.614 -5.705 -4.312 464 HB ILE 61 HB ILE 61 -11.452 -5.879 -3.300 465 HG12 ILE 61 1HG1 ILE 61 -10.291 -5.755 -6.092 466 HG13 ILE 61 2HG1 ILE 61 -11.000 -7.175 -5.331 467 HG21 ILE 61 1HG2 ILE 61 -10.034 -3.598 -4.669 468 HG22 ILE 61 2HG2 ILE 61 -11.778 -3.699 -4.431 469 HG23 ILE 61 3HG2 ILE 61 -10.702 -3.607 -3.037 470 HD11 ILE 61 3HD1 ILE 61 -12.815 -6.526 -6.479 471 HD12 ILE 61 1HD1 ILE 61 -13.046 -5.453 -5.099 472 HD13 ILE 61 2HD1 ILE 61 -12.291 -4.845 -6.572 473 H ASP 62 H ASP 62 -9.462 -6.778 -1.150 474 HA ASP 62 HA ASP 62 -9.333 -4.303 0.215 475 HB2 ASP 62 1HB ASP 62 -10.337 -6.368 1.165 476 HB3 ASP 62 2HB ASP 62 -8.724 -7.064 1.291 477 H GLU 63 H GLU 63 -6.913 -6.871 -0.255 478 HA GLU 63 HA GLU 63 -4.827 -5.435 1.045 479 HB2 GLU 63 1HB GLU 63 -5.185 -8.023 -0.135 480 HB3 GLU 63 2HB GLU 63 -3.705 -7.308 -0.759 481 HG2 GLU 63 1HG GLU 63 -2.666 -7.340 1.260 482 HG3 GLU 63 2HG GLU 63 -4.170 -7.163 2.163 483 H VAL 64 H VAL 64 -6.131 -5.423 -2.147 484 HA VAL 64 HA VAL 64 -3.805 -4.258 -3.394 485 HB VAL 64 HB VAL 64 -6.635 -4.565 -4.407 486 HG11 VAL 64 1HG1 VAL 64 -6.073 -3.161 -6.034 487 HG12 VAL 64 2HG1 VAL 64 -4.422 -3.036 -5.424 488 HG13 VAL 64 3HG1 VAL 64 -4.852 -4.324 -6.550 489 HG21 VAL 64 3HG2 VAL 64 -6.017 -6.546 -5.374 490 HG22 VAL 64 1HG2 VAL 64 -4.314 -6.095 -5.468 491 HG23 VAL 64 2HG2 VAL 64 -5.011 -6.589 -3.925 492 H ASP 65 H ASP 65 -7.026 -3.124 -2.414 493 HA ASP 65 HA ASP 65 -6.651 -0.445 -3.236 494 HB2 ASP 65 1HB ASP 65 -8.833 -1.724 -2.599 495 HB3 ASP 65 2HB ASP 65 -8.458 -1.195 -0.961 496 H GLU 66 H GLU 66 -4.910 0.631 -2.496 497 HA GLU 66 HA GLU 66 -3.773 0.333 0.062 498 HB2 GLU 66 1HB GLU 66 -2.492 2.355 -0.474 499 HB3 GLU 66 2HB GLU 66 -2.511 1.230 -1.825 500 HG2 GLU 66 1HG GLU 66 -2.940 3.132 -2.963 501 HG3 GLU 66 2HG GLU 66 -4.596 2.709 -2.532 502 H ASP 67 H ASP 67 -6.192 2.546 -1.213 503 HA ASP 67 HA ASP 67 -6.388 3.888 1.381 504 HB2 ASP 67 1HB ASP 67 -8.052 5.352 0.095 505 HB3 ASP 67 2HB ASP 67 -6.357 5.465 -0.370 506 H GLY 68 H GLY 68 -7.734 1.290 -0.221 507 HA2 GLY 68 1HA GLY 68 -9.634 0.034 0.086 508 HA3 GLY 68 2HA GLY 68 -9.574 0.636 1.736 509 H SER 69 H SER 69 -10.189 2.331 -1.326 510 HA SER 69 HA SER 69 -12.408 3.735 -0.165 511 HG SER 69 HG SER 69 -10.155 4.059 -3.287 512 HB2 SER 69 1HB SER 69 -12.645 4.598 -2.577 513 HB3 SER 69 2HB SER 69 -11.160 5.002 -1.716 514 H GLY 70 H GLY 70 -12.090 0.689 -1.439 515 HA2 GLY 70 1HA GLY 70 -13.983 -0.790 -1.446 516 HA3 GLY 70 2HA GLY 70 -14.984 0.559 -1.964 517 H THR 71 H THR 71 -12.350 0.972 -3.759 518 HA THR 71 HA THR 71 -12.952 -1.043 -5.785 519 HB THR 71 HB THR 71 -13.129 0.672 -7.566 520 HG1 THR 71 HG1 THR 71 -13.777 2.843 -6.554 521 HG21 THR 71 3HG2 THR 71 -15.388 0.877 -7.336 522 HG22 THR 71 1HG2 THR 71 -15.279 1.421 -5.663 523 HG23 THR 71 2HG2 THR 71 -15.100 -0.291 -6.046 524 H VAL 72 H VAL 72 -11.451 -0.594 -7.776 525 HA VAL 72 HA VAL 72 -8.758 -0.147 -6.688 526 HB VAL 72 HB VAL 72 -9.610 -2.322 -7.987 527 HG11 VAL 72 1HG1 VAL 72 -8.389 -0.691 -10.203 528 HG12 VAL 72 2HG1 VAL 72 -9.087 -2.309 -10.302 529 HG13 VAL 72 3HG1 VAL 72 -10.128 -0.914 -10.010 530 HG21 VAL 72 3HG2 VAL 72 -7.356 -1.769 -6.934 531 HG22 VAL 72 1HG2 VAL 72 -7.354 -2.920 -8.269 532 HG23 VAL 72 2HG2 VAL 72 -6.858 -1.250 -8.544 533 H ASP 73 H ASP 73 -7.403 1.351 -7.528 534 HA ASP 73 HA ASP 73 -8.513 3.117 -9.598 535 HB2 ASP 73 1HB ASP 73 -7.776 3.916 -7.208 536 HB3 ASP 73 2HB ASP 73 -6.158 3.861 -7.903 537 H PHE 74 H PHE 74 -6.736 4.255 -10.916 538 HA PHE 74 HA PHE 74 -5.490 2.409 -12.563 539 HD1 PHE 74 HD2 PHE 74 -4.369 2.292 -14.204 540 HD2 PHE 74 HD1 PHE 74 -3.319 6.384 -13.683 541 HE1 PHE 74 HE2 PHE 74 -2.657 2.073 -15.957 542 HE2 PHE 74 HE1 PHE 74 -1.605 6.171 -15.436 543 HZ PHE 74 HZ PHE 74 -1.272 4.013 -16.574 544 HB2 PHE 74 1HB PHE 74 -5.941 4.727 -13.235 545 HB3 PHE 74 2HB PHE 74 -4.717 5.299 -12.106 546 H ASP 75 H ASP 75 -4.241 4.093 -9.737 547 HA ASP 75 HA ASP 75 -1.536 3.373 -10.020 548 HB2 ASP 75 1HB ASP 75 -3.256 4.288 -7.756 549 HB3 ASP 75 2HB ASP 75 -1.666 3.626 -7.387 550 H GLU 76 H GLU 76 -3.990 1.954 -7.848 551 HA GLU 76 HA GLU 76 -2.427 -0.255 -7.092 552 HB2 GLU 76 1HB GLU 76 -5.441 -0.030 -7.156 553 HB3 GLU 76 2HB GLU 76 -4.517 -1.220 -6.251 554 HG2 GLU 76 1HG GLU 76 -4.061 0.208 -4.592 555 HG3 GLU 76 2HG GLU 76 -3.781 1.557 -5.692 556 H TRP 77 H TRP 77 -4.459 0.326 -9.855 557 HA TRP 77 HA TRP 77 -4.784 -2.370 -10.668 558 HD1 TRP 77 HD1 TRP 77 -7.783 -2.214 -12.196 559 HE1 TRP 77 HE1 TRP 77 -8.005 -3.657 -14.316 560 HE3 TRP 77 HE3 TRP 77 -3.269 -1.177 -14.360 561 HZ2 TRP 77 HZ2 TRP 77 -6.470 -4.273 -16.603 562 HZ3 TRP 77 HZ3 TRP 77 -2.723 -2.234 -16.514 563 HH2 TRP 77 HH2 TRP 77 -4.292 -3.750 -17.610 564 HB2 TRP 77 1HB TRP 77 -6.118 -0.340 -11.448 565 HB3 TRP 77 2HB TRP 77 -4.760 0.019 -12.510 566 H LEU 78 H LEU 78 -2.409 0.129 -11.470 567 HA LEU 78 HA LEU 78 -1.028 -1.286 -13.458 568 HG LEU 78 HG LEU 78 -1.647 1.158 -13.839 569 HB2 LEU 78 1HB LEU 78 -0.214 0.894 -11.564 570 HB3 LEU 78 2HB LEU 78 0.917 0.211 -12.730 571 HD11 LEU 78 1HD1 LEU 78 -0.196 2.821 -12.046 572 HD12 LEU 78 2HD1 LEU 78 -1.605 3.217 -13.029 573 HD13 LEU 78 3HD1 LEU 78 0.017 3.438 -13.684 574 HD21 LEU 78 3HD2 LEU 78 -0.428 1.372 -15.716 575 HD22 LEU 78 1HD2 LEU 78 0.723 0.341 -14.865 576 HD23 LEU 78 2HD2 LEU 78 0.943 2.091 -14.868 577 H VAL 79 H VAL 79 -0.374 -1.005 -9.971 578 HA VAL 79 HA VAL 79 1.863 -2.729 -9.960 579 HB VAL 79 HB VAL 79 1.492 -2.883 -7.512 580 HG11 VAL 79 1HG1 VAL 79 2.616 -0.972 -7.406 581 HG12 VAL 79 2HG1 VAL 79 2.106 -0.603 -9.055 582 HG13 VAL 79 3HG1 VAL 79 1.137 -0.054 -7.687 583 HG21 VAL 79 3HG2 VAL 79 -0.906 -2.908 -7.411 584 HG22 VAL 79 1HG2 VAL 79 -0.327 -1.491 -6.534 585 HG23 VAL 79 2HG2 VAL 79 -1.000 -1.311 -8.154 586 H MET 80 H MET 80 -1.591 -3.286 -9.560 587 HA MET 80 HA MET 80 -1.611 -5.860 -8.568 588 HB2 MET 80 1HB MET 80 -3.661 -4.624 -8.845 589 HB3 MET 80 2HB MET 80 -3.450 -4.574 -10.590 590 HG2 MET 80 1HG MET 80 -3.880 -6.891 -10.801 591 HG3 MET 80 2HG MET 80 -3.776 -7.135 -9.059 592 HE1 MET 80 3HE MET 80 -7.029 -4.596 -11.028 593 HE2 MET 80 1HE MET 80 -5.926 -3.815 -9.895 594 HE3 MET 80 2HE MET 80 -5.295 -4.579 -11.354 595 H MET 81 H MET 81 -1.001 -4.760 -11.852 596 HA MET 81 HA MET 81 -1.079 -7.331 -13.060 597 HB2 MET 81 1HB MET 81 -1.310 -5.142 -14.269 598 HB3 MET 81 2HB MET 81 0.414 -4.893 -14.034 599 HG2 MET 81 1HG MET 81 0.352 -5.756 -16.156 600 HG3 MET 81 2HG MET 81 0.642 -7.202 -15.192 601 HE1 MET 81 3HE MET 81 -3.416 -6.035 -17.050 602 HE2 MET 81 1HE MET 81 -2.713 -5.149 -15.696 603 HE3 MET 81 2HE MET 81 -1.915 -5.134 -17.269 604 H ALA 82 H ALA 82 1.575 -5.274 -11.902 605 HA ALA 82 HA ALA 82 3.702 -6.925 -12.637 606 HB1 ALA 82 1HB ALA 82 4.555 -5.733 -10.306 607 HB2 ALA 82 2HB ALA 82 4.670 -5.046 -11.926 608 HB3 ALA 82 3HB ALA 82 3.304 -4.635 -10.890 609 H ARG 83 H ARG 83 2.007 -6.732 -9.506 610 HA ARG 83 HA ARG 83 3.419 -8.825 -8.271 611 HE ARG 83 HE ARG 83 -2.244 -7.199 -7.308 612 HB2 ARG 83 1HB ARG 83 1.496 -8.884 -6.682 613 HB3 ARG 83 2HB ARG 83 2.162 -7.276 -6.932 614 HG2 ARG 83 1HG ARG 83 -0.054 -6.795 -7.064 615 HG3 ARG 83 2HG ARG 83 0.263 -7.158 -8.762 616 HD2 ARG 83 1HD ARG 83 -0.831 -9.170 -8.678 617 HD3 ARG 83 2HD ARG 83 -0.521 -9.388 -6.956 618 HH11 ARG 83 1HH1 ARG 83 -2.214 -10.666 -7.617 619 HH12 ARG 83 2HH1 ARG 83 -3.909 -10.839 -7.303 620 HH21 ARG 83 1HH2 ARG 83 -4.476 -7.413 -6.892 621 HH22 ARG 83 2HH2 ARG 83 -5.195 -8.988 -6.891 622 H CYS 84 H CYS 84 0.844 -8.826 -10.568 623 HA CYS 84 HA CYS 84 -0.185 -11.417 -10.024 624 HG CYS 84 HG CYS 84 -1.839 -12.663 -11.527 625 HB2 CYS 84 1HB CYS 84 -1.365 -9.623 -11.332 626 HB3 CYS 84 2HB CYS 84 -0.253 -9.937 -12.658 627 H MET 85 H MET 85 2.695 -10.335 -11.458 628 HA MET 85 HA MET 85 3.097 -12.575 -13.213 629 HB2 MET 85 1HB MET 85 4.965 -10.430 -12.197 630 HB3 MET 85 2HB MET 85 5.445 -11.677 -13.341 631 HG2 MET 85 1HG MET 85 3.682 -10.872 -14.883 632 HG3 MET 85 2HG MET 85 3.350 -9.560 -13.754 633 HE1 MET 85 3HE MET 85 4.710 -9.884 -17.070 634 HE2 MET 85 1HE MET 85 3.716 -8.583 -16.415 635 HE3 MET 85 2HE MET 85 5.327 -8.231 -17.041 636 H LYS 86 H LYS 86 3.456 -12.011 -9.874 637 HA LYS 86 HA LYS 86 5.596 -13.826 -9.362 638 HB2 LYS 86 1HB LYS 86 5.199 -12.175 -7.710 639 HB3 LYS 86 2HB LYS 86 3.486 -12.562 -7.623 640 HG2 LYS 86 1HG LYS 86 5.402 -14.709 -6.922 641 HG3 LYS 86 2HG LYS 86 5.224 -13.366 -5.790 642 HD2 LYS 86 1HD LYS 86 2.630 -14.170 -6.642 643 HD3 LYS 86 2HD LYS 86 3.525 -15.611 -6.153 644 HE2 LYS 86 1HE LYS 86 3.193 -13.105 -4.506 645 HE3 LYS 86 2HE LYS 86 2.290 -14.603 -4.283 646 HZ1 LYS 86 3HZ LYS 86 4.738 -13.927 -3.173 647 HZ2 LYS 86 1HZ LYS 86 5.058 -15.148 -4.300 648 HZ3 LYS 86 2HZ LYS 86 3.934 -15.411 -3.064 649 H ASP 87 H ASP 87 2.312 -14.230 -10.134 650 HA ASP 87 HA ASP 87 1.840 -16.675 -8.740 651 HB2 ASP 87 1HB ASP 87 -0.236 -16.703 -9.777 652 HB3 ASP 87 2HB ASP 87 0.140 -14.983 -9.779 653 H ASP 88 H ASP 88 3.672 -15.879 -11.462 654 HA ASP 88 HA ASP 88 3.972 -18.718 -12.115 655 HB2 ASP 88 1HB ASP 88 2.390 -17.557 -13.742 656 HB3 ASP 88 2HB ASP 88 3.786 -16.626 -14.280 657 H SER 89 H SER 89 6.019 -19.326 -12.728 658 HA SER 89 HA SER 89 8.287 -19.235 -12.884 659 HG SER 89 HG SER 89 7.761 -17.194 -15.832 660 HB2 SER 89 1HB SER 89 8.024 -16.339 -13.688 661 HB3 SER 89 2HB SER 89 9.268 -17.496 -14.160 Start of MODEL 6 1 HA MET 1 HA MET 1 3.007 -0.682 -0.392 2 H1 MET 1 H MET 1 2.435 -0.979 2.327 3 HB2 MET 1 1HB MET 1 3.440 1.042 1.332 4 HB3 MET 1 2HB MET 1 4.764 0.065 1.953 5 HG2 MET 1 1HG MET 1 5.806 1.657 0.624 6 HG3 MET 1 2HG MET 1 5.746 0.221 -0.395 7 HE1 MET 1 3HE MET 1 3.922 3.800 0.235 8 HE2 MET 1 1HE MET 1 5.594 3.722 -0.321 9 HE3 MET 1 2HE MET 1 4.329 4.299 -1.407 10 H ASP 2 H ASP 2 3.422 -2.769 -1.224 11 HA ASP 2 HA ASP 2 5.799 -4.172 -0.301 12 HB2 ASP 2 1HB ASP 2 3.470 -4.825 -2.014 13 HB3 ASP 2 2HB ASP 2 4.986 -5.619 -2.428 14 H ASP 3 H ASP 3 7.614 -3.146 -0.943 15 HA ASP 3 HA ASP 3 7.937 -1.752 -3.366 16 HB2 ASP 3 1HB ASP 3 9.363 -1.471 -1.329 17 HB3 ASP 3 2HB ASP 3 10.115 -3.021 -1.696 18 H ILE 4 H ILE 4 8.143 -5.109 -2.581 19 HA ILE 4 HA ILE 4 9.818 -6.025 -4.629 20 HB ILE 4 HB ILE 4 9.179 -7.499 -2.829 21 HG12 ILE 4 1HG1 ILE 4 7.789 -8.890 -5.036 22 HG13 ILE 4 2HG1 ILE 4 9.372 -8.232 -5.436 23 HG21 ILE 4 1HG2 ILE 4 6.380 -7.303 -3.931 24 HG22 ILE 4 2HG2 ILE 4 6.896 -8.400 -2.652 25 HG23 ILE 4 3HG2 ILE 4 6.950 -6.656 -2.393 26 HD11 ILE 4 3HD1 ILE 4 9.781 -10.423 -4.754 27 HD12 ILE 4 1HD1 ILE 4 10.207 -9.438 -3.355 28 HD13 ILE 4 2HD1 ILE 4 8.669 -10.302 -3.390 29 H TYR 5 H TYR 5 6.451 -5.089 -4.641 30 HA TYR 5 HA TYR 5 5.977 -6.153 -7.291 31 HD1 TYR 5 HD2 TYR 5 4.766 -7.791 -7.041 32 HD2 TYR 5 HD1 TYR 5 2.962 -5.563 -3.897 33 HE1 TYR 5 HE2 TYR 5 4.005 -9.886 -6.001 34 HE2 TYR 5 HE1 TYR 5 2.198 -7.651 -2.847 35 HH TYR 5 HH TYR 5 2.293 -9.879 -2.896 36 HB2 TYR 5 1HB TYR 5 4.274 -4.451 -5.462 37 HB3 TYR 5 2HB TYR 5 3.746 -5.043 -7.033 38 H LYS 6 H LYS 6 6.713 -3.075 -5.796 39 HA LYS 6 HA LYS 6 6.124 -1.429 -8.021 40 HB2 LYS 6 1HB LYS 6 8.225 -0.811 -5.956 41 HB3 LYS 6 2HB LYS 6 7.202 0.313 -6.842 42 HG2 LYS 6 1HG LYS 6 6.425 -1.521 -4.594 43 HG3 LYS 6 2HG LYS 6 6.376 0.243 -4.635 44 HD2 LYS 6 1HD LYS 6 4.680 -1.602 -6.317 45 HD3 LYS 6 2HD LYS 6 4.139 -0.742 -4.874 46 HE2 LYS 6 1HE LYS 6 4.950 1.371 -6.145 47 HE3 LYS 6 2HE LYS 6 4.851 0.341 -7.572 48 HZ1 LYS 6 3HZ LYS 6 2.719 1.425 -5.914 49 HZ2 LYS 6 1HZ LYS 6 2.491 -0.149 -6.491 50 HZ3 LYS 6 2HZ LYS 6 2.749 1.120 -7.578 51 H ALA 7 H ALA 7 8.873 -3.377 -7.151 52 HA ALA 7 HA ALA 7 10.770 -2.174 -8.880 53 HB1 ALA 7 1HB ALA 7 11.927 -3.464 -7.447 54 HB2 ALA 7 2HB ALA 7 10.606 -4.617 -7.254 55 HB3 ALA 7 3HB ALA 7 11.666 -4.717 -8.660 56 H ALA 8 H ALA 8 8.931 -5.215 -9.225 57 HA ALA 8 HA ALA 8 9.696 -5.864 -11.799 58 HB1 ALA 8 1HB ALA 8 8.477 -7.594 -11.085 59 HB2 ALA 8 2HB ALA 8 7.505 -6.584 -10.014 60 HB3 ALA 8 3HB ALA 8 7.090 -6.710 -11.723 61 H VAL 9 H VAL 9 6.886 -3.921 -10.793 62 HA VAL 9 HA VAL 9 5.950 -3.363 -13.388 63 HB VAL 9 HB VAL 9 4.567 -3.039 -11.386 64 HG11 VAL 9 1HG1 VAL 9 6.300 -0.631 -10.843 65 HG12 VAL 9 2HG1 VAL 9 4.890 -1.147 -9.916 66 HG13 VAL 9 3HG1 VAL 9 6.348 -2.140 -9.932 67 HG21 VAL 9 3HG2 VAL 9 3.420 -1.798 -12.841 68 HG22 VAL 9 1HG2 VAL 9 4.177 -0.390 -12.096 69 HG23 VAL 9 2HG2 VAL 9 4.894 -1.119 -13.533 70 H GLU 10 H GLU 10 8.302 -1.753 -11.325 71 HA GLU 10 HA GLU 10 8.566 0.602 -12.869 72 HB2 GLU 10 1HB GLU 10 10.107 -0.719 -10.702 73 HB3 GLU 10 2HB GLU 10 10.969 0.455 -11.686 74 HG2 GLU 10 1HG GLU 10 8.388 1.457 -10.870 75 HG3 GLU 10 2HG GLU 10 9.365 0.972 -9.486 76 H GLN 11 H GLN 11 9.747 -2.607 -13.268 77 HA GLN 11 HA GLN 11 11.861 -1.835 -15.099 78 HB2 GLN 11 1HB GLN 11 10.842 -4.617 -14.525 79 HB3 GLN 11 2HB GLN 11 12.391 -4.168 -15.228 80 HG2 GLN 11 1HG GLN 11 12.313 -2.851 -12.781 81 HG3 GLN 11 2HG GLN 11 11.633 -4.446 -12.463 82 HE21 GLN 11 2HE2 GLN 11 14.159 -3.297 -11.587 83 HE22 GLN 11 1HE2 GLN 11 15.396 -4.355 -12.166 84 H LEU 12 H LEU 12 8.599 -2.029 -15.331 85 HA LEU 12 HA LEU 12 8.235 -3.435 -17.767 86 HG LEU 12 HG LEU 12 6.662 -3.547 -15.230 87 HB2 LEU 12 1HB LEU 12 6.578 -1.340 -16.379 88 HB3 LEU 12 2HB LEU 12 6.064 -2.170 -17.847 89 HD11 LEU 12 1HD1 LEU 12 4.656 -1.924 -15.343 90 HD12 LEU 12 2HD1 LEU 12 4.401 -3.557 -14.729 91 HD13 LEU 12 3HD1 LEU 12 3.928 -3.153 -16.378 92 HD21 LEU 12 3HD2 LEU 12 5.365 -4.515 -17.776 93 HD22 LEU 12 1HD2 LEU 12 5.516 -5.441 -16.282 94 HD23 LEU 12 2HD2 LEU 12 6.961 -4.971 -17.178 95 H THR 13 H THR 13 7.058 -2.073 -19.618 96 HA THR 13 HA THR 13 8.958 0.051 -20.365 97 HB THR 13 HB THR 13 9.252 -1.632 -21.957 98 HG1 THR 13 HG1 THR 13 7.977 -0.783 -23.846 99 HG21 THR 13 3HG2 THR 13 7.364 -2.796 -23.075 100 HG22 THR 13 1HG2 THR 13 6.250 -1.960 -21.994 101 HG23 THR 13 2HG2 THR 13 7.431 -3.095 -21.338 102 H GLU 14 H GLU 14 8.131 1.812 -21.672 103 HA GLU 14 HA GLU 14 5.853 3.016 -20.597 104 HB2 GLU 14 1HB GLU 14 7.070 3.637 -23.291 105 HB3 GLU 14 2HB GLU 14 6.124 4.720 -22.279 106 HG2 GLU 14 1HG GLU 14 8.919 3.728 -21.852 107 HG3 GLU 14 2HG GLU 14 8.347 5.389 -22.001 108 H GLU 15 H GLU 15 6.280 1.109 -23.531 109 HA GLU 15 HA GLU 15 3.725 1.581 -24.633 110 HB2 GLU 15 1HB GLU 15 4.201 -0.178 -26.143 111 HB3 GLU 15 2HB GLU 15 5.746 0.588 -25.803 112 HG2 GLU 15 1HG GLU 15 6.435 -1.524 -25.523 113 HG3 GLU 15 2HG GLU 15 5.748 -1.322 -23.912 114 H GLN 16 H GLN 16 4.883 -0.608 -22.182 115 HA GLN 16 HA GLN 16 2.649 -2.365 -22.190 116 HB2 GLN 16 1HB GLN 16 4.992 -1.875 -20.448 117 HB3 GLN 16 2HB GLN 16 3.598 -2.619 -19.677 118 HG2 GLN 16 1HG GLN 16 4.996 -3.660 -22.130 119 HG3 GLN 16 2HG GLN 16 5.206 -4.271 -20.490 120 HE21 GLN 16 2HE2 GLN 16 3.617 -5.524 -19.568 121 HE22 GLN 16 1HE2 GLN 16 2.298 -6.180 -20.471 122 H LYS 17 H LYS 17 3.561 0.324 -20.038 123 HA LYS 17 HA LYS 17 1.260 0.280 -18.447 124 HB2 LYS 17 1HB LYS 17 3.389 2.265 -19.043 125 HB3 LYS 17 2HB LYS 17 1.912 2.876 -18.310 126 HG2 LYS 17 1HG LYS 17 3.351 2.430 -16.521 127 HG3 LYS 17 2HG LYS 17 2.220 1.075 -16.547 128 HD2 LYS 17 1HD LYS 17 4.357 0.123 -16.231 129 HD3 LYS 17 2HD LYS 17 3.952 -0.162 -17.925 130 HE2 LYS 17 1HE LYS 17 6.246 0.567 -17.757 131 HE3 LYS 17 2HE LYS 17 5.287 1.821 -18.542 132 HZ1 LYS 17 3HZ LYS 17 5.802 1.892 -15.636 133 HZ2 LYS 17 1HZ LYS 17 5.361 3.161 -16.664 134 HZ3 LYS 17 2HZ LYS 17 6.924 2.519 -16.735 135 H ASN 18 H ASN 18 1.775 1.452 -21.653 136 HA ASN 18 HA ASN 18 -0.322 3.327 -21.813 137 HB2 ASN 18 1HB ASN 18 1.488 1.977 -23.659 138 HB3 ASN 18 2HB ASN 18 -0.110 2.232 -24.356 139 HD21 ASN 18 2HD2 ASN 18 0.932 3.676 -25.826 140 HD22 ASN 18 1HD2 ASN 18 1.293 5.295 -25.344 141 H GLU 19 H GLU 19 -0.202 -0.155 -22.445 142 HA GLU 19 HA GLU 19 -2.874 -0.373 -23.369 143 HB2 GLU 19 1HB GLU 19 -0.864 -2.352 -22.330 144 HB3 GLU 19 2HB GLU 19 -2.507 -2.846 -22.715 145 HG2 GLU 19 1HG GLU 19 -0.863 -1.368 -24.724 146 HG3 GLU 19 2HG GLU 19 -0.650 -3.102 -24.490 147 H PHE 20 H PHE 20 -1.369 -0.644 -20.198 148 HA PHE 20 HA PHE 20 -3.624 -1.644 -18.823 149 HD1 PHE 20 HD2 PHE 20 -2.517 -3.307 -18.758 150 HD2 PHE 20 HD1 PHE 20 0.656 -1.049 -17.041 151 HE1 PHE 20 HE2 PHE 20 -1.015 -5.241 -19.000 152 HE2 PHE 20 HE1 PHE 20 2.163 -2.979 -17.280 153 HZ PHE 20 HZ PHE 20 1.328 -5.079 -18.260 154 HB2 PHE 20 1HB PHE 20 -1.345 0.025 -17.738 155 HB3 PHE 20 2HB PHE 20 -2.455 -0.955 -16.785 156 H LYS 21 H LYS 21 -2.381 1.656 -19.245 157 HA LYS 21 HA LYS 21 -4.402 2.932 -17.744 158 HB2 LYS 21 1HB LYS 21 -2.117 3.838 -18.576 159 HB3 LYS 21 2HB LYS 21 -2.990 4.246 -20.048 160 HG2 LYS 21 1HG LYS 21 -4.307 5.827 -18.984 161 HG3 LYS 21 2HG LYS 21 -4.013 5.140 -17.385 162 HD2 LYS 21 1HD LYS 21 -2.664 6.996 -17.303 163 HD3 LYS 21 2HD LYS 21 -1.524 5.794 -17.913 164 HE2 LYS 21 1HE LYS 21 -2.241 6.570 -20.243 165 HE3 LYS 21 2HE LYS 21 -2.964 7.954 -19.424 166 HZ1 LYS 21 3HZ LYS 21 -0.783 8.552 -20.121 167 HZ2 LYS 21 1HZ LYS 21 -0.102 7.170 -19.422 168 HZ3 LYS 21 2HZ LYS 21 -0.744 8.387 -18.438 169 H ALA 22 H ALA 22 -4.276 1.753 -21.004 170 HA ALA 22 HA ALA 22 -6.566 3.256 -21.905 171 HB1 ALA 22 1HB ALA 22 -6.111 2.457 -23.978 172 HB2 ALA 22 2HB ALA 22 -4.531 2.178 -23.246 173 HB3 ALA 22 3HB ALA 22 -5.683 0.851 -23.388 174 H ALA 23 H ALA 23 -5.941 -0.225 -21.412 175 HA ALA 23 HA ALA 23 -8.602 -1.055 -21.697 176 HB1 ALA 23 1HB ALA 23 -7.666 -3.060 -21.535 177 HB2 ALA 23 2HB ALA 23 -6.129 -2.272 -21.175 178 HB3 ALA 23 3HB ALA 23 -7.202 -2.756 -19.861 179 H PHE 24 H PHE 24 -7.021 0.545 -19.112 180 HA PHE 24 HA PHE 24 -8.717 -0.353 -16.998 181 HD1 PHE 24 HD1 PHE 24 -7.419 -0.090 -14.315 182 HD2 PHE 24 HD2 PHE 24 -8.305 3.678 -16.085 183 HE1 PHE 24 HE1 PHE 24 -8.225 0.737 -12.143 184 HE2 PHE 24 HE2 PHE 24 -9.112 4.511 -13.916 185 HZ PHE 24 HZ PHE 24 -9.072 3.041 -11.941 186 HB2 PHE 24 1HB PHE 24 -6.518 0.527 -16.482 187 HB3 PHE 24 2HB PHE 24 -6.922 2.071 -17.225 188 H ASP 25 H ASP 25 -8.810 2.267 -19.315 189 HA ASP 25 HA ASP 25 -10.831 3.804 -18.067 190 HB2 ASP 25 1HB ASP 25 -9.286 4.567 -19.919 191 HB3 ASP 25 2HB ASP 25 -10.289 3.643 -21.034 192 H ILE 26 H ILE 26 -10.908 1.110 -20.330 193 HA ILE 26 HA ILE 26 -13.702 1.260 -20.863 194 HB ILE 26 HB ILE 26 -11.801 -1.068 -21.169 195 HG12 ILE 26 1HG1 ILE 26 -12.418 -0.189 -23.681 196 HG13 ILE 26 2HG1 ILE 26 -12.399 1.324 -22.782 197 HG21 ILE 26 1HG2 ILE 26 -14.053 -1.890 -21.063 198 HG22 ILE 26 2HG2 ILE 26 -14.603 -0.656 -22.197 199 HG23 ILE 26 3HG2 ILE 26 -13.518 -1.935 -22.743 200 HD11 ILE 26 3HD1 ILE 26 -10.119 0.226 -21.889 201 HD12 ILE 26 1HD1 ILE 26 -10.194 -0.481 -23.502 202 HD13 ILE 26 2HD1 ILE 26 -10.217 1.272 -23.305 203 H PHE 27 H PHE 27 -11.772 -0.184 -18.362 204 HA PHE 27 HA PHE 27 -13.814 -1.961 -17.411 205 HD1 PHE 27 HD1 PHE 27 -11.486 -2.457 -18.935 206 HD2 PHE 27 HD2 PHE 27 -11.499 -4.058 -14.991 207 HE1 PHE 27 HE1 PHE 27 -10.800 -4.647 -19.824 208 HE2 PHE 27 HE2 PHE 27 -10.812 -6.249 -15.874 209 HZ PHE 27 HZ PHE 27 -10.461 -6.545 -18.293 210 HB2 PHE 27 1HB PHE 27 -11.116 -1.103 -16.447 211 HB3 PHE 27 2HB PHE 27 -12.209 -1.899 -15.320 212 H VAL 28 H VAL 28 -12.737 1.294 -16.662 213 HA VAL 28 HA VAL 28 -14.471 1.515 -14.354 214 HB VAL 28 HB VAL 28 -13.662 3.783 -14.152 215 HG11 VAL 28 1HG1 VAL 28 -11.718 3.108 -13.289 216 HG12 VAL 28 2HG1 VAL 28 -12.104 1.519 -13.950 217 HG13 VAL 28 3HG1 VAL 28 -11.089 2.633 -14.866 218 HG21 VAL 28 3HG2 VAL 28 -12.114 4.754 -15.782 219 HG22 VAL 28 1HG2 VAL 28 -12.303 3.331 -16.807 220 HG23 VAL 28 2HG2 VAL 28 -13.678 4.395 -16.514 221 H LEU 29 H LEU 29 -15.139 1.390 -17.500 222 HA LEU 29 HA LEU 29 -16.671 3.677 -18.051 223 HG LEU 29 HG LEU 29 -15.005 2.540 -20.061 224 HB2 LEU 29 1HB LEU 29 -16.569 0.897 -19.117 225 HB3 LEU 29 2HB LEU 29 -17.921 1.930 -19.575 226 HD11 LEU 29 1HD1 LEU 29 -15.375 1.996 -22.329 227 HD12 LEU 29 2HD1 LEU 29 -17.115 1.848 -22.089 228 HD13 LEU 29 3HD1 LEU 29 -16.024 0.651 -21.391 229 HD21 LEU 29 3HD2 LEU 29 -15.645 4.632 -20.426 230 HD22 LEU 29 1HD2 LEU 29 -17.306 4.217 -20.002 231 HD23 LEU 29 2HD2 LEU 29 -16.759 4.068 -21.673 232 H GLY 30 H GLY 30 -17.306 0.904 -16.089 233 HA2 GLY 30 1HA GLY 30 -20.173 1.224 -16.080 234 HA3 GLY 30 2HA GLY 30 -19.238 0.142 -15.058 235 H ALA 31 H ALA 31 -17.490 2.233 -14.051 236 HA ALA 31 HA ALA 31 -19.131 3.112 -11.878 237 HB1 ALA 31 1HB ALA 31 -16.242 3.432 -12.590 238 HB2 ALA 31 2HB ALA 31 -16.948 4.351 -11.259 239 HB3 ALA 31 3HB ALA 31 -16.970 2.588 -11.223 240 H GLU 32 H GLU 32 -18.854 5.483 -11.124 241 HA GLU 32 HA GLU 32 -19.547 7.204 -13.407 242 HB2 GLU 32 1HB GLU 32 -21.179 6.740 -11.434 243 HB3 GLU 32 2HB GLU 32 -20.167 7.871 -10.547 244 HG2 GLU 32 1HG GLU 32 -20.669 9.634 -12.058 245 HG3 GLU 32 2HG GLU 32 -21.463 8.528 -13.177 246 H ASP 33 H ASP 33 -17.354 6.774 -10.775 247 HA ASP 33 HA ASP 33 -16.257 9.469 -11.111 248 HB2 ASP 33 1HB ASP 33 -16.724 8.348 -8.819 249 HB3 ASP 33 2HB ASP 33 -15.248 7.439 -9.137 250 H GLY 34 H GLY 34 -15.488 6.085 -11.602 251 HA2 GLY 34 1HA GLY 34 -14.003 5.684 -13.552 252 HA3 GLY 34 2HA GLY 34 -12.955 6.923 -12.877 253 H CYS 35 H CYS 35 -14.584 4.033 -11.566 254 HA CYS 35 HA CYS 35 -11.982 2.906 -10.883 255 HG CYS 35 HG CYS 35 -15.465 2.309 -8.837 256 HB2 CYS 35 1HB CYS 35 -12.635 2.487 -8.558 257 HB3 CYS 35 2HB CYS 35 -12.621 4.211 -8.907 258 H ILE 36 H ILE 36 -12.385 0.672 -9.763 259 HA ILE 36 HA ILE 36 -14.657 -0.654 -11.086 260 HB ILE 36 HB ILE 36 -11.841 -1.730 -10.886 261 HG12 ILE 36 1HG1 ILE 36 -13.067 -1.520 -13.529 262 HG13 ILE 36 2HG1 ILE 36 -12.893 0.042 -12.737 263 HG21 ILE 36 1HG2 ILE 36 -14.387 -2.947 -11.933 264 HG22 ILE 36 2HG2 ILE 36 -12.784 -3.570 -12.320 265 HG23 ILE 36 3HG2 ILE 36 -13.342 -3.553 -10.648 266 HD11 ILE 36 3HD1 ILE 36 -10.884 -0.061 -13.765 267 HD12 ILE 36 1HD1 ILE 36 -10.459 -0.901 -12.275 268 HD13 ILE 36 2HD1 ILE 36 -10.830 -1.823 -13.732 269 H SER 37 H SER 37 -15.959 -1.345 -9.524 270 HA SER 37 HA SER 37 -14.889 -2.110 -6.932 271 HG SER 37 HG SER 37 -18.870 -2.017 -7.663 272 HB2 SER 37 1HB SER 37 -17.244 -2.247 -6.239 273 HB3 SER 37 2HB SER 37 -16.907 -0.706 -7.025 274 H THR 38 H THR 38 -15.465 -4.126 -5.907 275 HA THR 38 HA THR 38 -14.869 -6.377 -7.436 276 HB THR 38 HB THR 38 -14.493 -6.524 -5.100 277 HG1 THR 38 HG1 THR 38 -16.059 -8.340 -4.568 278 HG21 THR 38 3HG2 THR 38 -17.010 -6.671 -3.880 279 HG22 THR 38 1HG2 THR 38 -17.074 -5.254 -4.926 280 HG23 THR 38 2HG2 THR 38 -15.811 -5.391 -3.703 281 H LYS 39 H LYS 39 -17.864 -4.750 -6.957 282 HA LYS 39 HA LYS 39 -19.616 -6.914 -7.515 283 HB2 LYS 39 1HB LYS 39 -19.890 -3.926 -7.529 284 HB3 LYS 39 2HB LYS 39 -21.187 -4.935 -8.156 285 HG2 LYS 39 1HG LYS 39 -21.324 -6.086 -5.997 286 HG3 LYS 39 2HG LYS 39 -20.043 -5.044 -5.371 287 HD2 LYS 39 1HD LYS 39 -21.537 -3.085 -5.981 288 HD3 LYS 39 2HD LYS 39 -22.824 -4.269 -6.226 289 HE2 LYS 39 1HE LYS 39 -21.281 -4.312 -3.675 290 HE3 LYS 39 2HE LYS 39 -22.507 -3.067 -3.909 291 HZ1 LYS 39 3HZ LYS 39 -23.223 -5.850 -4.481 292 HZ2 LYS 39 1HZ LYS 39 -24.186 -4.587 -3.899 293 HZ3 LYS 39 2HZ LYS 39 -23.106 -5.373 -2.862 294 H GLU 40 H GLU 40 -18.522 -4.190 -9.544 295 HA GLU 40 HA GLU 40 -19.621 -5.351 -11.924 296 HB2 GLU 40 1HB GLU 40 -17.590 -3.126 -11.796 297 HB3 GLU 40 2HB GLU 40 -18.760 -3.449 -13.068 298 HG2 GLU 40 1HG GLU 40 -19.426 -2.562 -10.270 299 HG3 GLU 40 2HG GLU 40 -19.386 -1.526 -11.695 300 H LEU 41 H LEU 41 -16.515 -5.333 -10.337 301 HA LEU 41 HA LEU 41 -14.863 -6.107 -12.444 302 HG LEU 41 HG LEU 41 -13.132 -8.282 -10.470 303 HB2 LEU 41 1HB LEU 41 -13.989 -5.411 -10.297 304 HB3 LEU 41 2HB LEU 41 -14.708 -6.820 -9.519 305 HD11 LEU 41 1HD1 LEU 41 -12.793 -7.890 -12.664 306 HD12 LEU 41 2HD1 LEU 41 -11.370 -7.035 -12.069 307 HD13 LEU 41 3HD1 LEU 41 -12.833 -6.137 -12.472 308 HD21 LEU 41 3HD2 LEU 41 -12.125 -7.154 -8.662 309 HD22 LEU 41 1HD2 LEU 41 -11.854 -5.696 -9.618 310 HD23 LEU 41 2HD2 LEU 41 -10.920 -7.155 -9.950 311 H GLY 42 H GLY 42 -16.808 -8.079 -10.229 312 HA2 GLY 42 1HA GLY 42 -15.953 -10.605 -11.041 313 HA3 GLY 42 2HA GLY 42 -17.545 -10.246 -10.389 314 H LYS 43 H LYS 43 -18.250 -8.419 -12.544 315 HA LYS 43 HA LYS 43 -19.452 -10.251 -14.306 316 HB2 LYS 43 1HB LYS 43 -19.412 -7.384 -13.915 317 HB3 LYS 43 2HB LYS 43 -19.383 -7.781 -15.628 318 HG2 LYS 43 1HG LYS 43 -21.337 -9.389 -14.998 319 HG3 LYS 43 2HG LYS 43 -21.484 -8.337 -13.589 320 HD2 LYS 43 1HD LYS 43 -21.369 -6.443 -15.424 321 HD3 LYS 43 2HD LYS 43 -21.951 -7.741 -16.470 322 HE2 LYS 43 1HE LYS 43 -23.771 -8.133 -14.770 323 HE3 LYS 43 2HE LYS 43 -23.253 -6.641 -13.987 324 HZ1 LYS 43 3HZ LYS 43 -25.147 -6.598 -15.737 325 HZ2 LYS 43 1HZ LYS 43 -23.880 -6.617 -16.858 326 HZ3 LYS 43 2HZ LYS 43 -23.989 -5.365 -15.727 327 H VAL 44 H VAL 44 -16.697 -8.048 -14.774 328 HA VAL 44 HA VAL 44 -16.120 -8.631 -17.420 329 HB VAL 44 HB VAL 44 -14.166 -8.002 -15.202 330 HG11 VAL 44 1HG1 VAL 44 -12.799 -8.787 -16.895 331 HG12 VAL 44 2HG1 VAL 44 -13.863 -8.193 -18.171 332 HG13 VAL 44 3HG1 VAL 44 -12.874 -7.061 -17.248 333 HG21 VAL 44 3HG2 VAL 44 -14.448 -5.757 -16.749 334 HG22 VAL 44 1HG2 VAL 44 -16.087 -6.407 -16.715 335 HG23 VAL 44 2HG2 VAL 44 -15.251 -6.043 -15.205 336 H MET 45 H MET 45 -15.582 -10.534 -14.569 337 HA MET 45 HA MET 45 -13.605 -12.272 -15.636 338 HB2 MET 45 1HB MET 45 -15.572 -13.011 -13.480 339 HB3 MET 45 2HB MET 45 -13.928 -13.595 -13.700 340 HG2 MET 45 1HG MET 45 -14.791 -10.864 -12.792 341 HG3 MET 45 2HG MET 45 -13.950 -12.095 -11.854 342 HE1 MET 45 3HE MET 45 -11.993 -13.300 -13.311 343 HE2 MET 45 1HE MET 45 -11.779 -12.616 -14.923 344 HE3 MET 45 2HE MET 45 -10.561 -12.338 -13.679 345 H ARG 46 H ARG 46 -17.095 -12.197 -15.743 346 HA ARG 46 HA ARG 46 -17.487 -14.872 -16.602 347 HE ARG 46 HE ARG 46 -21.380 -11.749 -19.476 348 HB2 ARG 46 1HB ARG 46 -19.694 -14.352 -16.634 349 HB3 ARG 46 2HB ARG 46 -19.150 -12.938 -15.741 350 HG2 ARG 46 1HG ARG 46 -19.057 -11.671 -17.847 351 HG3 ARG 46 2HG ARG 46 -19.672 -13.087 -18.702 352 HD2 ARG 46 1HD ARG 46 -21.627 -12.990 -17.043 353 HD3 ARG 46 2HD ARG 46 -21.060 -11.361 -16.677 354 HH11 ARG 46 1HH1 ARG 46 -23.139 -11.156 -16.531 355 HH12 ARG 46 2HH1 ARG 46 -24.460 -10.367 -17.326 356 HH21 ARG 46 1HH2 ARG 46 -23.114 -10.711 -20.534 357 HH22 ARG 46 2HH2 ARG 46 -24.446 -10.115 -19.603 358 H MET 47 H MET 47 -17.092 -11.802 -18.318 359 HA MET 47 HA MET 47 -17.500 -12.910 -20.911 360 HB2 MET 47 1HB MET 47 -16.729 -10.771 -21.750 361 HB3 MET 47 2HB MET 47 -17.822 -10.512 -20.396 362 HG2 MET 47 1HG MET 47 -16.098 -9.868 -18.969 363 HG3 MET 47 2HG MET 47 -14.857 -10.574 -20.003 364 HE1 MET 47 3HE MET 47 -17.636 -7.438 -21.361 365 HE2 MET 47 1HE MET 47 -17.723 -8.295 -19.823 366 HE3 MET 47 2HE MET 47 -16.940 -6.717 -19.909 367 H LEU 48 H LEU 48 -14.781 -12.640 -18.780 368 HA LEU 48 HA LEU 48 -12.771 -13.028 -20.783 369 HG LEU 48 HG LEU 48 -12.638 -10.875 -18.758 370 HB2 LEU 48 1HB LEU 48 -12.799 -13.115 -17.788 371 HB3 LEU 48 2HB LEU 48 -11.375 -13.616 -18.697 372 HD11 LEU 48 1HD1 LEU 48 -11.567 -10.864 -16.742 373 HD12 LEU 48 2HD1 LEU 48 -10.230 -10.412 -17.798 374 HD13 LEU 48 3HD1 LEU 48 -10.384 -12.076 -17.235 375 HD21 LEU 48 3HD2 LEU 48 -10.354 -10.415 -19.909 376 HD22 LEU 48 1HD2 LEU 48 -11.688 -11.077 -20.853 377 HD23 LEU 48 2HD2 LEU 48 -10.400 -12.138 -20.284 378 H GLY 49 H GLY 49 -14.827 -15.085 -18.907 379 HA2 GLY 49 1HA GLY 49 -15.181 -17.337 -19.790 380 HA3 GLY 49 2HA GLY 49 -13.448 -17.426 -20.065 381 H GLN 50 H GLN 50 -14.387 -15.921 -17.146 382 HA GLN 50 HA GLN 50 -13.916 -18.418 -15.659 383 HB2 GLN 50 1HB GLN 50 -12.754 -15.682 -15.150 384 HB3 GLN 50 2HB GLN 50 -12.763 -16.953 -13.935 385 HG2 GLN 50 1HG GLN 50 -10.703 -17.299 -14.805 386 HG3 GLN 50 2HG GLN 50 -11.638 -18.332 -15.886 387 HE21 GLN 50 2HE2 GLN 50 -10.576 -14.959 -15.591 388 HE22 GLN 50 1HE2 GLN 50 -10.210 -14.748 -17.266 389 H ASN 51 H ASN 51 -14.739 -18.379 -13.429 390 HA ASN 51 HA ASN 51 -16.907 -16.460 -12.978 391 HB2 ASN 51 1HB ASN 51 -17.975 -18.387 -14.017 392 HB3 ASN 51 2HB ASN 51 -17.212 -19.468 -12.855 393 HD21 ASN 51 2HD2 ASN 51 -19.114 -20.261 -12.046 394 HD22 ASN 51 1HD2 ASN 51 -20.199 -19.316 -11.090 395 HA PRO 52 HA PRO 52 -14.257 -17.325 -9.228 396 HB2 PRO 52 1HB PRO 52 -13.691 -14.720 -8.710 397 HB3 PRO 52 2HB PRO 52 -12.716 -15.718 -9.795 398 HG2 PRO 52 1HG PRO 52 -14.846 -13.722 -10.458 399 HG3 PRO 52 2HG PRO 52 -13.272 -13.977 -11.234 400 HD2 PRO 52 1HD PRO 52 -15.582 -14.929 -12.278 401 HD3 PRO 52 2HD PRO 52 -14.030 -15.770 -12.469 402 H THR 53 H THR 53 -15.005 -17.240 -7.161 403 HA THR 53 HA THR 53 -17.681 -16.703 -6.637 404 HB THR 53 HB THR 53 -16.709 -16.515 -4.153 405 HG1 THR 53 HG1 THR 53 -14.760 -18.058 -4.368 406 HG21 THR 53 3HG2 THR 53 -17.191 -18.827 -5.955 407 HG22 THR 53 1HG2 THR 53 -18.020 -18.358 -4.471 408 HG23 THR 53 2HG2 THR 53 -16.448 -19.154 -4.389 409 HA PRO 54 HA PRO 54 -18.054 -12.397 -5.876 410 HB2 PRO 54 1HB PRO 54 -19.752 -12.328 -3.759 411 HB3 PRO 54 2HB PRO 54 -20.268 -12.773 -5.390 412 HG2 PRO 54 1HG PRO 54 -19.593 -14.538 -3.068 413 HG3 PRO 54 2HG PRO 54 -20.934 -14.670 -4.221 414 HD2 PRO 54 1HD PRO 54 -18.690 -16.174 -4.417 415 HD3 PRO 54 2HD PRO 54 -19.611 -15.644 -5.839 416 H GLU 55 H GLU 55 -17.704 -14.184 -2.805 417 HA GLU 55 HA GLU 55 -16.619 -12.021 -1.357 418 HB2 GLU 55 1HB GLU 55 -16.453 -15.002 -0.910 419 HB3 GLU 55 2HB GLU 55 -15.844 -13.814 0.234 420 HG2 GLU 55 1HG GLU 55 -18.181 -12.844 0.260 421 HG3 GLU 55 2HG GLU 55 -18.685 -14.298 -0.601 422 H GLU 56 H GLU 56 -15.204 -14.396 -3.473 423 HA GLU 56 HA GLU 56 -12.512 -14.111 -2.658 424 HB2 GLU 56 1HB GLU 56 -13.227 -16.014 -3.987 425 HB3 GLU 56 2HB GLU 56 -13.681 -14.954 -5.314 426 HG2 GLU 56 1HG GLU 56 -11.507 -14.568 -5.935 427 HG3 GLU 56 2HG GLU 56 -10.872 -14.919 -4.329 428 H LEU 57 H LEU 57 -14.421 -12.529 -5.193 429 HA LEU 57 HA LEU 57 -12.458 -11.037 -6.427 430 HG LEU 57 HG LEU 57 -14.898 -12.296 -7.359 431 HB2 LEU 57 1HB LEU 57 -15.314 -10.291 -5.827 432 HB3 LEU 57 2HB LEU 57 -14.267 -9.391 -6.921 433 HD11 LEU 57 1HD1 LEU 57 -16.595 -11.441 -9.010 434 HD12 LEU 57 2HD1 LEU 57 -16.474 -9.878 -8.205 435 HD13 LEU 57 3HD1 LEU 57 -17.040 -11.288 -7.310 436 HD21 LEU 57 3HD2 LEU 57 -14.538 -11.278 -9.779 437 HD22 LEU 57 1HD2 LEU 57 -13.187 -11.816 -8.782 438 HD23 LEU 57 2HD2 LEU 57 -13.590 -10.101 -8.870 439 H GLN 58 H GLN 58 -14.497 -9.988 -3.693 440 HA GLN 58 HA GLN 58 -13.096 -7.565 -3.275 441 HB2 GLN 58 1HB GLN 58 -15.299 -7.668 -2.430 442 HB3 GLN 58 2HB GLN 58 -14.991 -9.175 -1.579 443 HG2 GLN 58 1HG GLN 58 -14.050 -8.144 0.198 444 HG3 GLN 58 2HG GLN 58 -13.362 -6.847 -0.778 445 HE21 GLN 58 2HE2 GLN 58 -14.428 -4.962 -0.955 446 HE22 GLN 58 1HE2 GLN 58 -15.955 -4.627 -0.219 447 H GLU 59 H GLU 59 -12.520 -10.828 -2.296 448 HA GLU 59 HA GLU 59 -10.964 -10.427 -0.008 449 HB2 GLU 59 1HB GLU 59 -11.844 -12.622 -1.027 450 HB3 GLU 59 2HB GLU 59 -10.396 -12.586 -2.023 451 HG2 GLU 59 1HG GLU 59 -9.731 -13.907 -0.271 452 HG3 GLU 59 2HG GLU 59 -9.155 -12.320 0.237 453 H MET 60 H MET 60 -9.939 -10.755 -3.404 454 HA MET 60 HA MET 60 -7.198 -10.255 -2.870 455 HB2 MET 60 1HB MET 60 -8.869 -10.251 -5.368 456 HB3 MET 60 2HB MET 60 -7.181 -9.763 -5.409 457 HG2 MET 60 1HG MET 60 -7.960 -12.374 -4.190 458 HG3 MET 60 2HG MET 60 -7.825 -12.209 -5.939 459 HE1 MET 60 3HE MET 60 -5.903 -12.299 -7.228 460 HE2 MET 60 1HE MET 60 -4.294 -12.740 -6.654 461 HE3 MET 60 2HE MET 60 -5.648 -13.846 -6.418 462 H ILE 61 H ILE 61 -9.926 -8.209 -3.709 463 HA ILE 61 HA ILE 61 -8.458 -5.867 -4.301 464 HB ILE 61 HB ILE 61 -11.298 -6.223 -3.347 465 HG12 ILE 61 1HG1 ILE 61 -10.104 -5.655 -6.069 466 HG13 ILE 61 2HG1 ILE 61 -10.845 -7.166 -5.552 467 HG21 ILE 61 1HG2 ILE 61 -11.650 -3.893 -4.097 468 HG22 ILE 61 2HG2 ILE 61 -10.567 -4.016 -2.711 469 HG23 ILE 61 3HG2 ILE 61 -9.908 -3.732 -4.322 470 HD11 ILE 61 3HD1 ILE 61 -12.845 -5.392 -5.074 471 HD12 ILE 61 1HD1 ILE 61 -12.074 -4.689 -6.496 472 HD13 ILE 61 2HD1 ILE 61 -12.669 -6.350 -6.545 473 H ASP 62 H ASP 62 -9.327 -7.400 -1.336 474 HA ASP 62 HA ASP 62 -9.212 -5.157 0.382 475 HB2 ASP 62 1HB ASP 62 -10.221 -7.299 1.052 476 HB3 ASP 62 2HB ASP 62 -8.635 -8.064 0.995 477 H GLU 63 H GLU 63 -6.773 -7.611 -0.459 478 HA GLU 63 HA GLU 63 -4.702 -6.372 1.053 479 HB2 GLU 63 1HB GLU 63 -4.429 -8.678 0.667 480 HB3 GLU 63 2HB GLU 63 -4.750 -8.516 -1.054 481 HG2 GLU 63 1HG GLU 63 -2.627 -7.917 -1.539 482 HG3 GLU 63 2HG GLU 63 -2.399 -7.070 -0.010 483 H VAL 64 H VAL 64 -5.978 -5.918 -2.123 484 HA VAL 64 HA VAL 64 -3.658 -4.552 -3.158 485 HB VAL 64 HB VAL 64 -6.469 -4.711 -4.255 486 HG11 VAL 64 1HG1 VAL 64 -4.292 -3.041 -4.983 487 HG12 VAL 64 2HG1 VAL 64 -4.516 -4.239 -6.259 488 HG13 VAL 64 3HG1 VAL 64 -5.861 -3.208 -5.770 489 HG21 VAL 64 3HG2 VAL 64 -4.895 -6.813 -3.992 490 HG22 VAL 64 1HG2 VAL 64 -5.866 -6.569 -5.444 491 HG23 VAL 64 2HG2 VAL 64 -4.153 -6.149 -5.447 492 H ASP 65 H ASP 65 -6.839 -3.651 -1.900 493 HA ASP 65 HA ASP 65 -6.519 -0.859 -2.377 494 HB2 ASP 65 1HB ASP 65 -8.691 -2.254 -1.966 495 HB3 ASP 65 2HB ASP 65 -8.346 -1.953 -0.265 496 H GLU 66 H GLU 66 -4.385 -0.539 -1.486 497 HA GLU 66 HA GLU 66 -3.849 -0.920 1.281 498 HB2 GLU 66 1HB GLU 66 -1.875 0.566 0.826 499 HB3 GLU 66 2HB GLU 66 -1.992 -0.845 -0.217 500 HG2 GLU 66 1HG GLU 66 -2.722 0.447 -2.049 501 HG3 GLU 66 2HG GLU 66 -3.017 1.856 -1.032 502 H ASP 67 H ASP 67 -5.268 1.644 -0.589 503 HA ASP 67 HA ASP 67 -5.170 3.490 1.674 504 HB2 ASP 67 1HB ASP 67 -6.315 5.045 -0.012 505 HB3 ASP 67 2HB ASP 67 -4.646 4.590 -0.343 506 H GLY 68 H GLY 68 -7.157 1.079 0.507 507 HA2 GLY 68 1HA GLY 68 -9.311 0.443 0.978 508 HA3 GLY 68 2HA GLY 68 -9.180 1.482 2.389 509 H SER 69 H SER 69 -9.226 2.182 -1.102 510 HA SER 69 HA SER 69 -10.980 4.417 -0.692 511 HG SER 69 HG SER 69 -9.270 5.436 -1.682 512 HB2 SER 69 1HB SER 69 -9.862 3.123 -3.184 513 HB3 SER 69 2HB SER 69 -10.920 4.533 -3.221 514 H GLY 70 H GLY 70 -11.378 1.075 -1.347 515 HA2 GLY 70 1HA GLY 70 -13.536 0.064 -1.040 516 HA3 GLY 70 2HA GLY 70 -14.268 1.523 -1.693 517 H THR 71 H THR 71 -11.871 1.254 -3.729 518 HA THR 71 HA THR 71 -12.842 -0.954 -5.351 519 HB THR 71 HB THR 71 -13.182 0.504 -7.345 520 HG1 THR 71 HG1 THR 71 -13.103 2.601 -5.411 521 HG21 THR 71 3HG2 THR 71 -15.112 -0.289 -6.106 522 HG22 THR 71 1HG2 THR 71 -15.396 1.361 -6.659 523 HG23 THR 71 2HG2 THR 71 -14.970 1.056 -4.974 524 H VAL 72 H VAL 72 -11.610 -0.865 -7.569 525 HA VAL 72 HA VAL 72 -8.783 -0.520 -6.893 526 HB VAL 72 HB VAL 72 -10.257 -2.208 -8.864 527 HG11 VAL 72 1HG1 VAL 72 -7.437 -1.219 -9.179 528 HG12 VAL 72 2HG1 VAL 72 -7.994 -2.729 -9.902 529 HG13 VAL 72 3HG1 VAL 72 -8.746 -1.201 -10.361 530 HG21 VAL 72 3HG2 VAL 72 -8.742 -2.578 -6.475 531 HG22 VAL 72 1HG2 VAL 72 -9.640 -3.770 -7.413 532 HG23 VAL 72 2HG2 VAL 72 -7.950 -3.439 -7.794 533 H ASP 73 H ASP 73 -7.642 1.120 -7.670 534 HA ASP 73 HA ASP 73 -8.793 2.763 -9.800 535 HB2 ASP 73 1HB ASP 73 -6.420 3.358 -8.020 536 HB3 ASP 73 2HB ASP 73 -7.241 4.489 -9.092 537 H PHE 74 H PHE 74 -6.620 3.974 -10.873 538 HA PHE 74 HA PHE 74 -5.682 2.013 -12.705 539 HD1 PHE 74 HD2 PHE 74 -4.461 1.842 -14.318 540 HD2 PHE 74 HD1 PHE 74 -3.416 5.944 -13.869 541 HE1 PHE 74 HE2 PHE 74 -2.725 1.585 -16.041 542 HE2 PHE 74 HE1 PHE 74 -1.678 5.693 -15.593 543 HZ PHE 74 HZ PHE 74 -1.330 3.511 -16.681 544 HB2 PHE 74 1HB PHE 74 -6.042 4.310 -13.422 545 HB3 PHE 74 2HB PHE 74 -4.830 4.884 -12.282 546 H ASP 75 H ASP 75 -4.297 3.609 -9.901 547 HA ASP 75 HA ASP 75 -1.638 2.664 -10.312 548 HB2 ASP 75 1HB ASP 75 -3.089 3.875 -7.971 549 HB3 ASP 75 2HB ASP 75 -1.446 3.262 -7.804 550 H GLU 76 H GLU 76 -4.456 1.464 -8.594 551 HA GLU 76 HA GLU 76 -2.994 -0.709 -7.371 552 HB2 GLU 76 1HB GLU 76 -5.952 -0.101 -7.492 553 HB3 GLU 76 2HB GLU 76 -5.248 -1.433 -6.587 554 HG2 GLU 76 1HG GLU 76 -4.308 -0.045 -5.009 555 HG3 GLU 76 2HG GLU 76 -4.305 1.350 -6.086 556 H TRP 77 H TRP 77 -5.073 -0.202 -10.145 557 HA TRP 77 HA TRP 77 -5.500 -2.941 -10.754 558 HD1 TRP 77 HD1 TRP 77 -8.481 -2.924 -12.521 559 HE1 TRP 77 HE1 TRP 77 -8.534 -4.361 -14.656 560 HE3 TRP 77 HE3 TRP 77 -3.867 -1.766 -14.392 561 HZ2 TRP 77 HZ2 TRP 77 -6.842 -4.929 -16.843 562 HZ3 TRP 77 HZ3 TRP 77 -3.160 -2.799 -16.510 563 HH2 TRP 77 HH2 TRP 77 -4.618 -4.348 -17.709 564 HB2 TRP 77 1HB TRP 77 -6.909 -1.073 -11.613 565 HB3 TRP 77 2HB TRP 77 -5.568 -0.577 -12.641 566 H LEU 78 H LEU 78 -3.145 -0.543 -11.878 567 HA LEU 78 HA LEU 78 -1.883 -2.177 -13.791 568 HG LEU 78 HG LEU 78 -0.785 -0.492 -15.260 569 HB2 LEU 78 1HB LEU 78 -1.696 0.407 -13.169 570 HB3 LEU 78 2HB LEU 78 -0.277 -0.176 -12.302 571 HD11 LEU 78 1HD1 LEU 78 1.503 1.069 -14.282 572 HD12 LEU 78 2HD1 LEU 78 -0.079 1.795 -14.004 573 HD13 LEU 78 3HD1 LEU 78 0.418 1.366 -15.640 574 HD21 LEU 78 3HD2 LEU 78 0.528 -2.321 -14.679 575 HD22 LEU 78 1HD2 LEU 78 1.401 -1.424 -13.436 576 HD23 LEU 78 2HD2 LEU 78 1.717 -1.102 -15.141 577 H VAL 79 H VAL 79 -1.029 -1.475 -10.407 578 HA VAL 79 HA VAL 79 1.247 -3.112 -10.290 579 HB VAL 79 HB VAL 79 0.977 -3.053 -7.848 580 HG11 VAL 79 1HG1 VAL 79 2.079 -1.154 -8.421 581 HG12 VAL 79 2HG1 VAL 79 0.814 -0.622 -9.531 582 HG13 VAL 79 3HG1 VAL 79 0.610 -0.410 -7.792 583 HG21 VAL 79 3HG2 VAL 79 -1.441 -3.311 -7.726 584 HG22 VAL 79 1HG2 VAL 79 -0.927 -1.868 -6.852 585 HG23 VAL 79 2HG2 VAL 79 -1.663 -1.718 -8.448 586 H MET 80 H MET 80 -2.156 -3.831 -9.987 587 HA MET 80 HA MET 80 -2.127 -6.263 -8.687 588 HB2 MET 80 1HB MET 80 -4.163 -5.027 -9.420 589 HB3 MET 80 2HB MET 80 -3.855 -5.562 -11.066 590 HG2 MET 80 1HG MET 80 -3.840 -7.933 -9.833 591 HG3 MET 80 2HG MET 80 -4.915 -7.050 -8.751 592 HE1 MET 80 3HE MET 80 -5.734 -5.027 -11.471 593 HE2 MET 80 1HE MET 80 -7.366 -5.656 -11.701 594 HE3 MET 80 2HE MET 80 -6.780 -5.299 -10.076 595 H MET 81 H MET 81 -1.489 -5.582 -12.101 596 HA MET 81 HA MET 81 -1.243 -8.286 -12.906 597 HB2 MET 81 1HB MET 81 -1.454 -6.001 -14.268 598 HB3 MET 81 2HB MET 81 0.295 -6.173 -14.327 599 HG2 MET 81 1HG MET 81 -0.425 -7.196 -16.276 600 HG3 MET 81 2HG MET 81 -0.156 -8.544 -15.173 601 HE1 MET 81 3HE MET 81 -2.660 -6.128 -16.739 602 HE2 MET 81 1HE MET 81 -4.238 -6.867 -16.464 603 HE3 MET 81 2HE MET 81 -3.387 -6.086 -15.132 604 H ALA 82 H ALA 82 1.124 -5.847 -11.900 605 HA ALA 82 HA ALA 82 3.453 -7.309 -12.362 606 HB1 ALA 82 1HB ALA 82 3.920 -5.792 -10.054 607 HB2 ALA 82 2HB ALA 82 4.267 -5.345 -11.725 608 HB3 ALA 82 3HB ALA 82 2.728 -4.892 -10.993 609 H ARG 83 H ARG 83 1.110 -7.523 -9.792 610 HA ARG 83 HA ARG 83 2.659 -8.895 -7.888 611 HE ARG 83 HE ARG 83 -1.122 -10.621 -4.050 612 HB2 ARG 83 1HB ARG 83 0.540 -7.912 -7.273 613 HB3 ARG 83 2HB ARG 83 -0.315 -8.942 -8.413 614 HG2 ARG 83 1HG ARG 83 0.393 -10.913 -7.088 615 HG3 ARG 83 2HG ARG 83 1.103 -9.812 -5.906 616 HD2 ARG 83 1HD ARG 83 -1.473 -8.849 -6.291 617 HD3 ARG 83 2HD ARG 83 -1.659 -10.603 -6.281 618 HH11 ARG 83 1HH1 ARG 83 -0.343 -7.511 -5.408 619 HH12 ARG 83 2HH1 ARG 83 -0.019 -6.777 -3.873 620 HH21 ARG 83 1HH2 ARG 83 -0.698 -9.665 -2.023 621 HH22 ARG 83 2HH2 ARG 83 -0.220 -8.003 -1.948 622 H CYS 84 H CYS 84 1.189 -9.917 -10.842 623 HA CYS 84 HA CYS 84 1.050 -12.698 -10.276 624 HG CYS 84 HG CYS 84 -0.324 -14.255 -11.904 625 HB2 CYS 84 1HB CYS 84 -0.142 -11.405 -12.143 626 HB3 CYS 84 2HB CYS 84 1.377 -11.507 -13.024 627 H MET 85 H MET 85 3.609 -10.570 -11.160 628 HA MET 85 HA MET 85 5.345 -12.596 -12.226 629 HB2 MET 85 1HB MET 85 5.881 -9.764 -11.318 630 HB3 MET 85 2HB MET 85 7.081 -10.803 -12.075 631 HG2 MET 85 1HG MET 85 4.474 -10.175 -13.410 632 HG3 MET 85 2HG MET 85 5.870 -9.108 -13.541 633 HE1 MET 85 3HE MET 85 6.342 -8.964 -15.645 634 HE2 MET 85 1HE MET 85 7.914 -9.765 -15.625 635 HE3 MET 85 2HE MET 85 6.715 -10.207 -16.840 636 H LYS 86 H LYS 86 4.816 -11.073 -9.109 637 HA LYS 86 HA LYS 86 5.788 -11.378 -7.059 638 HB2 LYS 86 1HB LYS 86 4.512 -13.599 -7.763 639 HB3 LYS 86 2HB LYS 86 6.135 -14.271 -7.695 640 HG2 LYS 86 1HG LYS 86 5.799 -14.570 -5.525 641 HG3 LYS 86 2HG LYS 86 5.915 -12.817 -5.350 642 HD2 LYS 86 1HD LYS 86 3.875 -13.136 -4.387 643 HD3 LYS 86 2HD LYS 86 3.361 -12.963 -6.067 644 HE2 LYS 86 1HE LYS 86 2.232 -14.865 -5.297 645 HE3 LYS 86 2HE LYS 86 3.595 -15.502 -6.215 646 HZ1 LYS 86 3HZ LYS 86 2.933 -16.113 -3.622 647 HZ2 LYS 86 1HZ LYS 86 4.284 -15.105 -3.485 648 HZ3 LYS 86 2HZ LYS 86 4.371 -16.513 -4.417 649 H ASP 87 H ASP 87 7.660 -10.650 -9.073 650 HA ASP 87 HA ASP 87 9.894 -10.612 -9.542 651 HB2 ASP 87 1HB ASP 87 9.650 -10.003 -7.009 652 HB3 ASP 87 2HB ASP 87 10.415 -11.568 -6.749 653 H ASP 88 H ASP 88 8.796 -12.924 -10.454 654 HA ASP 88 HA ASP 88 9.320 -15.011 -11.191 655 HB2 ASP 88 1HB ASP 88 12.088 -14.314 -10.186 656 HB3 ASP 88 2HB ASP 88 11.693 -15.625 -11.294 657 H SER 89 H SER 89 8.123 -14.918 -8.718 658 HA SER 89 HA SER 89 7.661 -16.209 -6.903 659 HG SER 89 HG SER 89 8.568 -19.482 -6.605 660 HB2 SER 89 1HB SER 89 8.083 -18.008 -8.707 661 HB3 SER 89 2HB SER 89 9.640 -18.244 -7.913 Start of MODEL 7 1 HA MET 1 HA MET 1 1.040 -0.487 -1.551 2 H1 MET 1 H MET 1 1.490 -0.322 1.286 3 HB2 MET 1 1HB MET 1 2.481 1.436 -2.125 4 HB3 MET 1 2HB MET 1 1.005 1.927 -1.305 5 HG2 MET 1 1HG MET 1 2.466 3.208 -0.159 6 HG3 MET 1 2HG MET 1 2.582 1.747 0.818 7 HE1 MET 1 3HE MET 1 6.283 2.587 1.058 8 HE2 MET 1 1HE MET 1 4.920 3.692 1.234 9 HE3 MET 1 2HE MET 1 4.814 2.053 1.876 10 H ASP 2 H ASP 2 2.864 -1.227 -2.701 11 HA ASP 2 HA ASP 2 5.101 -2.112 -0.997 12 HB2 ASP 2 1HB ASP 2 3.493 -3.576 -3.039 13 HB3 ASP 2 2HB ASP 2 5.206 -3.964 -2.899 14 H ASP 3 H ASP 3 6.749 -0.801 -1.477 15 HA ASP 3 HA ASP 3 7.130 0.508 -3.940 16 HB2 ASP 3 1HB ASP 3 9.401 1.017 -3.077 17 HB3 ASP 3 2HB ASP 3 8.134 1.364 -1.904 18 H ILE 4 H ILE 4 7.961 -2.662 -2.850 19 HA ILE 4 HA ILE 4 10.101 -3.254 -4.558 20 HB ILE 4 HB ILE 4 9.544 -4.743 -2.742 21 HG12 ILE 4 1HG1 ILE 4 8.870 -6.539 -4.991 22 HG13 ILE 4 2HG1 ILE 4 10.303 -5.542 -5.223 23 HG21 ILE 4 1HG2 ILE 4 6.976 -5.258 -4.234 24 HG22 ILE 4 2HG2 ILE 4 7.527 -6.165 -2.827 25 HG23 ILE 4 3HG2 ILE 4 7.148 -4.450 -2.676 26 HD11 ILE 4 3HD1 ILE 4 9.783 -7.607 -3.117 27 HD12 ILE 4 1HD1 ILE 4 11.086 -7.539 -4.303 28 HD13 ILE 4 2HD1 ILE 4 11.062 -6.403 -2.954 29 H TYR 5 H TYR 5 6.657 -3.134 -5.121 30 HA TYR 5 HA TYR 5 6.851 -4.424 -7.706 31 HD1 TYR 5 HD2 TYR 5 6.037 -6.275 -7.491 32 HD2 TYR 5 HD1 TYR 5 3.268 -4.409 -4.854 33 HE1 TYR 5 HE2 TYR 5 5.613 -8.443 -6.411 34 HE2 TYR 5 HE1 TYR 5 2.838 -6.572 -3.765 35 HH TYR 5 HH TYR 5 3.051 -8.882 -4.112 36 HB2 TYR 5 1HB TYR 5 4.549 -3.084 -6.277 37 HB3 TYR 5 2HB TYR 5 4.413 -3.847 -7.857 38 H LYS 6 H LYS 6 6.637 -1.184 -6.398 39 HA LYS 6 HA LYS 6 6.045 0.155 -8.821 40 HB2 LYS 6 1HB LYS 6 7.603 1.368 -6.550 41 HB3 LYS 6 2HB LYS 6 6.493 2.161 -7.660 42 HG2 LYS 6 1HG LYS 6 5.828 0.309 -5.391 43 HG3 LYS 6 2HG LYS 6 5.388 2.008 -5.579 44 HD2 LYS 6 1HD LYS 6 4.424 -0.261 -7.321 45 HD3 LYS 6 2HD LYS 6 3.493 0.516 -6.038 46 HE2 LYS 6 1HE LYS 6 4.267 2.659 -7.529 47 HE3 LYS 6 2HE LYS 6 4.076 1.421 -8.769 48 HZ1 LYS 6 3HZ LYS 6 2.069 2.897 -7.930 49 HZ2 LYS 6 1HZ LYS 6 1.950 1.657 -6.784 50 HZ3 LYS 6 2HZ LYS 6 1.854 1.296 -8.434 51 H ALA 7 H ALA 7 9.033 -0.886 -7.309 52 HA ALA 7 HA ALA 7 10.794 0.582 -8.979 53 HB1 ALA 7 1HB ALA 7 11.045 -1.612 -7.016 54 HB2 ALA 7 2HB ALA 7 12.337 -1.465 -8.208 55 HB3 ALA 7 3HB ALA 7 11.947 -0.103 -7.157 56 H ALA 8 H ALA 8 9.368 -2.639 -9.181 57 HA ALA 8 HA ALA 8 10.853 -3.340 -11.551 58 HB1 ALA 8 1HB ALA 8 9.357 -5.345 -11.553 59 HB2 ALA 8 2HB ALA 8 10.286 -5.121 -10.070 60 HB3 ALA 8 3HB ALA 8 8.576 -4.690 -10.114 61 H VAL 9 H VAL 9 7.609 -2.203 -10.776 62 HA VAL 9 HA VAL 9 6.555 -2.512 -13.403 63 HB VAL 9 HB VAL 9 5.307 -2.191 -11.126 64 HG11 VAL 9 1HG1 VAL 9 6.394 0.065 -10.783 65 HG12 VAL 9 2HG1 VAL 9 5.341 0.668 -12.065 66 HG13 VAL 9 3HG1 VAL 9 4.643 0.014 -10.583 67 HG21 VAL 9 3HG2 VAL 9 4.020 -2.651 -13.016 68 HG22 VAL 9 1HG2 VAL 9 3.379 -1.110 -12.444 69 HG23 VAL 9 2HG2 VAL 9 4.486 -1.151 -13.817 70 H GLU 10 H GLU 10 8.338 -0.002 -11.762 71 HA GLU 10 HA GLU 10 7.763 2.076 -13.629 72 HB2 GLU 10 1HB GLU 10 9.710 1.697 -11.395 73 HB3 GLU 10 2HB GLU 10 9.988 2.997 -12.545 74 HG2 GLU 10 1HG GLU 10 7.254 3.025 -11.704 75 HG3 GLU 10 2HG GLU 10 8.316 3.008 -10.296 76 H GLN 11 H GLN 11 10.126 -0.478 -13.435 77 HA GLN 11 HA GLN 11 11.730 0.632 -15.588 78 HB2 GLN 11 1HB GLN 11 13.120 -1.388 -15.279 79 HB3 GLN 11 2HB GLN 11 12.900 -0.487 -13.785 80 HG2 GLN 11 1HG GLN 11 11.238 -2.071 -13.032 81 HG3 GLN 11 2HG GLN 11 11.347 -2.946 -14.559 82 HE21 GLN 11 2HE2 GLN 11 13.119 -2.040 -11.664 83 HE22 GLN 11 1HE2 GLN 11 14.230 -3.362 -11.705 84 H LEU 12 H LEU 12 8.835 -0.606 -15.669 85 HA LEU 12 HA LEU 12 9.028 -2.804 -17.460 86 HG LEU 12 HG LEU 12 7.358 -2.849 -15.116 87 HB2 LEU 12 1HB LEU 12 6.821 -0.959 -16.628 88 HB3 LEU 12 2HB LEU 12 6.579 -2.114 -17.937 89 HD11 LEU 12 1HD1 LEU 12 5.158 -3.290 -14.628 90 HD12 LEU 12 2HD1 LEU 12 4.695 -3.430 -16.324 91 HD13 LEU 12 3HD1 LEU 12 5.002 -1.842 -15.623 92 HD21 LEU 12 3HD2 LEU 12 6.796 -5.123 -15.832 93 HD22 LEU 12 1HD2 LEU 12 8.121 -4.451 -16.783 94 HD23 LEU 12 2HD2 LEU 12 6.498 -4.532 -17.468 95 H THR 13 H THR 13 7.665 -2.540 -19.627 96 HA THR 13 HA THR 13 9.199 -0.681 -21.238 97 HB THR 13 HB THR 13 7.825 -1.798 -23.129 98 HG1 THR 13 HG1 THR 13 7.215 -4.011 -22.308 99 HG21 THR 13 3HG2 THR 13 10.231 -2.389 -21.957 100 HG22 THR 13 1HG2 THR 13 9.619 -3.115 -23.443 101 HG23 THR 13 2HG2 THR 13 9.396 -3.941 -21.900 102 H GLU 14 H GLU 14 8.180 0.697 -22.850 103 HA GLU 14 HA GLU 14 6.232 2.390 -21.751 104 HB2 GLU 14 1HB GLU 14 7.028 2.118 -24.656 105 HB3 GLU 14 2HB GLU 14 6.203 3.493 -23.933 106 HG2 GLU 14 1HG GLU 14 8.187 3.835 -22.475 107 HG3 GLU 14 2HG GLU 14 9.008 2.561 -23.375 108 H GLU 15 H GLU 15 5.991 -0.262 -24.062 109 HA GLU 15 HA GLU 15 3.284 0.156 -24.768 110 HB2 GLU 15 1HB GLU 15 5.158 -2.180 -24.956 111 HB3 GLU 15 2HB GLU 15 3.457 -2.373 -25.355 112 HG2 GLU 15 1HG GLU 15 5.287 -0.358 -26.635 113 HG3 GLU 15 2HG GLU 15 4.906 -1.941 -27.311 114 H GLN 16 H GLN 16 4.828 -1.944 -22.360 115 HA GLN 16 HA GLN 16 2.503 -3.200 -21.430 116 HB2 GLN 16 1HB GLN 16 5.164 -2.635 -20.140 117 HB3 GLN 16 2HB GLN 16 3.886 -3.494 -19.290 118 HG2 GLN 16 1HG GLN 16 4.590 -4.488 -21.980 119 HG3 GLN 16 2HG GLN 16 5.785 -4.719 -20.704 120 HE21 GLN 16 2HE2 GLN 16 5.250 -7.000 -21.277 121 HE22 GLN 16 1HE2 GLN 16 3.954 -7.752 -20.418 122 H LYS 17 H LYS 17 4.238 -0.389 -20.090 123 HA LYS 17 HA LYS 17 2.398 0.165 -18.045 124 HB2 LYS 17 1HB LYS 17 4.400 1.888 -19.496 125 HB3 LYS 17 2HB LYS 17 3.406 2.511 -18.185 126 HG2 LYS 17 1HG LYS 17 5.213 0.123 -17.907 127 HG3 LYS 17 2HG LYS 17 5.704 1.776 -17.528 128 HD2 LYS 17 1HD LYS 17 3.194 0.749 -16.310 129 HD3 LYS 17 2HD LYS 17 4.728 0.144 -15.680 130 HE2 LYS 17 1HE LYS 17 3.947 3.049 -15.924 131 HE3 LYS 17 2HE LYS 17 3.926 2.103 -14.436 132 HZ1 LYS 17 3HZ LYS 17 6.420 1.695 -15.176 133 HZ2 LYS 17 1HZ LYS 17 5.965 3.028 -14.239 134 HZ3 LYS 17 2HZ LYS 17 6.191 3.204 -15.906 135 H ASN 18 H ASN 18 2.550 1.213 -21.406 136 HA ASN 18 HA ASN 18 0.479 3.138 -21.241 137 HB2 ASN 18 1HB ASN 18 1.832 1.675 -23.479 138 HB3 ASN 18 2HB ASN 18 0.374 2.605 -23.811 139 HD21 ASN 18 2HD2 ASN 18 3.010 3.087 -24.809 140 HD22 ASN 18 1HD2 ASN 18 3.483 4.654 -24.256 141 H GLU 19 H GLU 19 0.523 -0.322 -21.742 142 HA GLU 19 HA GLU 19 -2.136 -0.585 -22.687 143 HB2 GLU 19 1HB GLU 19 -0.104 -2.451 -21.534 144 HB3 GLU 19 2HB GLU 19 -1.768 -2.995 -21.692 145 HG2 GLU 19 1HG GLU 19 -1.698 -2.510 -24.086 146 HG3 GLU 19 2HG GLU 19 -0.025 -1.979 -23.925 147 H PHE 20 H PHE 20 -0.685 -0.712 -19.467 148 HA PHE 20 HA PHE 20 -3.025 -1.479 -18.084 149 HD1 PHE 20 HD2 PHE 20 -1.740 -3.234 -18.020 150 HD2 PHE 20 HD1 PHE 20 1.323 -0.739 -16.436 151 HE1 PHE 20 HE2 PHE 20 -0.104 -5.043 -18.344 152 HE2 PHE 20 HE1 PHE 20 2.964 -2.543 -16.758 153 HZ PHE 20 HZ PHE 20 2.252 -4.699 -17.712 154 HB2 PHE 20 1HB PHE 20 -0.776 0.168 -16.930 155 HB3 PHE 20 2HB PHE 20 -1.843 -0.948 -16.084 156 H LYS 21 H LYS 21 -1.917 1.544 -19.337 157 HA LYS 21 HA LYS 21 -3.661 3.162 -17.705 158 HB2 LYS 21 1HB LYS 21 -1.409 3.847 -18.784 159 HB3 LYS 21 2HB LYS 21 -2.349 4.071 -20.253 160 HG2 LYS 21 1HG LYS 21 -3.868 5.524 -18.686 161 HG3 LYS 21 2HG LYS 21 -2.398 5.619 -17.713 162 HD2 LYS 21 1HD LYS 21 -2.238 6.153 -20.644 163 HD3 LYS 21 2HD LYS 21 -2.892 7.399 -19.579 164 HE2 LYS 21 1HE LYS 21 -0.830 7.233 -18.208 165 HE3 LYS 21 2HE LYS 21 -0.180 6.093 -19.385 166 HZ1 LYS 21 3HZ LYS 21 0.673 7.956 -20.275 167 HZ2 LYS 21 1HZ LYS 21 -0.479 8.973 -19.566 168 HZ3 LYS 21 2HZ LYS 21 -0.860 8.116 -20.973 169 H ALA 22 H ALA 22 -3.680 1.792 -20.943 170 HA ALA 22 HA ALA 22 -6.103 3.154 -21.712 171 HB1 ALA 22 1HB ALA 22 -5.329 0.813 -23.288 172 HB2 ALA 22 2HB ALA 22 -5.621 2.478 -23.792 173 HB3 ALA 22 3HB ALA 22 -4.057 2.023 -23.117 174 H ALA 23 H ALA 23 -5.232 -0.255 -21.119 175 HA ALA 23 HA ALA 23 -7.761 -1.362 -21.345 176 HB1 ALA 23 1HB ALA 23 -6.793 -3.272 -20.661 177 HB2 ALA 23 2HB ALA 23 -5.299 -2.343 -20.791 178 HB3 ALA 23 3HB ALA 23 -6.090 -2.526 -19.225 179 H PHE 24 H PHE 24 -6.235 0.190 -18.566 180 HA PHE 24 HA PHE 24 -8.173 -0.471 -16.643 181 HD1 PHE 24 HD2 PHE 24 -7.745 3.622 -16.029 182 HD2 PHE 24 HD1 PHE 24 -7.161 0.036 -13.812 183 HE1 PHE 24 HE2 PHE 24 -8.740 4.689 -14.048 184 HE2 PHE 24 HE1 PHE 24 -8.155 1.097 -11.827 185 HZ PHE 24 HZ PHE 24 -8.946 3.427 -11.943 186 HB2 PHE 24 1HB PHE 24 -6.051 0.387 -15.924 187 HB3 PHE 24 2HB PHE 24 -6.279 1.873 -16.839 188 H ASP 25 H ASP 25 -8.100 1.951 -19.137 189 HA ASP 25 HA ASP 25 -10.112 3.657 -18.129 190 HB2 ASP 25 1HB ASP 25 -8.531 4.229 -19.982 191 HB3 ASP 25 2HB ASP 25 -9.436 3.140 -21.031 192 H ILE 26 H ILE 26 -10.227 0.820 -20.240 193 HA ILE 26 HA ILE 26 -12.992 0.960 -20.811 194 HB ILE 26 HB ILE 26 -11.161 -1.442 -20.807 195 HG12 ILE 26 1HG1 ILE 26 -11.695 -0.811 -23.417 196 HG13 ILE 26 2HG1 ILE 26 -11.624 0.784 -22.675 197 HG21 ILE 26 1HG2 ILE 26 -12.849 -2.450 -22.302 198 HG22 ILE 26 2HG2 ILE 26 -13.463 -2.154 -20.676 199 HG23 ILE 26 3HG2 ILE 26 -13.906 -1.072 -21.996 200 HD11 ILE 26 3HD1 ILE 26 -9.491 -1.199 -23.124 201 HD12 ILE 26 1HD1 ILE 26 -9.440 0.562 -23.176 202 HD13 ILE 26 2HD1 ILE 26 -9.412 -0.276 -21.624 203 H PHE 27 H PHE 27 -11.145 -0.637 -18.264 204 HA PHE 27 HA PHE 27 -13.243 -2.147 -17.161 205 HD1 PHE 27 HD2 PHE 27 -10.222 -2.805 -18.238 206 HD2 PHE 27 HD1 PHE 27 -11.831 -3.994 -14.481 207 HE1 PHE 27 HE2 PHE 27 -9.597 -5.137 -18.712 208 HE2 PHE 27 HE1 PHE 27 -11.209 -6.328 -14.949 209 HZ PHE 27 HZ PHE 27 -10.091 -6.903 -17.067 210 HB2 PHE 27 1HB PHE 27 -10.583 -1.201 -16.222 211 HB3 PHE 27 2HB PHE 27 -11.722 -1.751 -14.998 212 H VAL 28 H VAL 28 -11.960 1.036 -16.208 213 HA VAL 28 HA VAL 28 -14.154 1.452 -14.364 214 HB VAL 28 HB VAL 28 -13.091 3.508 -13.761 215 HG11 VAL 28 1HG1 VAL 28 -10.581 2.077 -14.106 216 HG12 VAL 28 2HG1 VAL 28 -11.450 2.500 -12.629 217 HG13 VAL 28 3HG1 VAL 28 -11.884 1.042 -13.523 218 HG21 VAL 28 3HG2 VAL 28 -12.174 4.752 -15.363 219 HG22 VAL 28 1HG2 VAL 28 -10.768 3.690 -15.288 220 HG23 VAL 28 2HG2 VAL 28 -12.053 3.370 -16.452 221 H LEU 29 H LEU 29 -14.031 1.547 -17.582 222 HA LEU 29 HA LEU 29 -15.070 4.074 -18.279 223 HG LEU 29 HG LEU 29 -16.799 1.104 -19.418 224 HB2 LEU 29 1HB LEU 29 -14.977 3.269 -20.350 225 HB3 LEU 29 2HB LEU 29 -14.272 1.822 -19.633 226 HD11 LEU 29 1HD1 LEU 29 -17.165 2.471 -21.990 227 HD12 LEU 29 2HD1 LEU 29 -17.208 3.519 -20.574 228 HD13 LEU 29 3HD1 LEU 29 -18.318 2.154 -20.694 229 HD21 LEU 29 3HD2 LEU 29 -15.679 -0.385 -20.678 230 HD22 LEU 29 1HD2 LEU 29 -14.807 0.864 -21.567 231 HD23 LEU 29 2HD2 LEU 29 -16.460 0.450 -22.022 232 H GLY 30 H GLY 30 -16.489 1.339 -16.759 233 HA2 GLY 30 1HA GLY 30 -19.209 2.217 -17.394 234 HA3 GLY 30 2HA GLY 30 -18.767 0.726 -16.576 235 H ALA 31 H ALA 31 -16.889 2.418 -14.857 236 HA ALA 31 HA ALA 31 -18.741 2.810 -12.714 237 HB1 ALA 31 1HB ALA 31 -16.896 2.481 -11.531 238 HB2 ALA 31 2HB ALA 31 -15.924 2.550 -13.001 239 HB3 ALA 31 3HB ALA 31 -16.259 4.026 -12.095 240 H GLU 32 H GLU 32 -18.041 5.016 -11.376 241 HA GLU 32 HA GLU 32 -18.877 7.183 -13.180 242 HB2 GLU 32 1HB GLU 32 -19.160 6.992 -10.176 243 HB3 GLU 32 2HB GLU 32 -19.763 8.297 -11.188 244 HG2 GLU 32 1HG GLU 32 -21.264 6.732 -12.313 245 HG3 GLU 32 2HG GLU 32 -20.662 5.426 -11.294 246 H ASP 33 H ASP 33 -16.987 6.774 -10.180 247 HA ASP 33 HA ASP 33 -15.516 9.187 -10.606 248 HB2 ASP 33 1HB ASP 33 -14.891 6.904 -8.722 249 HB3 ASP 33 2HB ASP 33 -14.252 8.544 -8.631 250 H GLY 34 H GLY 34 -14.992 5.792 -11.296 251 HA2 GLY 34 1HA GLY 34 -13.556 5.379 -13.272 252 HA3 GLY 34 2HA GLY 34 -12.426 6.526 -12.568 253 H CYS 35 H CYS 35 -14.219 3.796 -11.155 254 HA CYS 35 HA CYS 35 -11.680 2.431 -10.652 255 HG CYS 35 HG CYS 35 -12.664 4.950 -7.376 256 HB2 CYS 35 1HB CYS 35 -13.738 2.872 -8.482 257 HB3 CYS 35 2HB CYS 35 -12.182 2.068 -8.316 258 H ILE 36 H ILE 36 -12.216 0.217 -9.536 259 HA ILE 36 HA ILE 36 -14.581 -0.922 -10.878 260 HB ILE 36 HB ILE 36 -11.942 -2.327 -10.459 261 HG12 ILE 36 1HG1 ILE 36 -12.639 -1.996 -13.214 262 HG13 ILE 36 2HG1 ILE 36 -12.684 -0.420 -12.432 263 HG21 ILE 36 1HG2 ILE 36 -14.597 -3.140 -11.502 264 HG22 ILE 36 2HG2 ILE 36 -13.167 -3.790 -12.302 265 HG23 ILE 36 3HG2 ILE 36 -13.411 -4.061 -10.577 266 HD11 ILE 36 3HD1 ILE 36 -10.445 -0.422 -11.996 267 HD12 ILE 36 1HD1 ILE 36 -10.342 -2.181 -11.945 268 HD13 ILE 36 2HD1 ILE 36 -10.481 -1.350 -13.495 269 H SER 37 H SER 37 -16.019 -1.513 -9.402 270 HA SER 37 HA SER 37 -15.158 -2.264 -6.725 271 HG SER 37 HG SER 37 -18.529 -1.885 -5.653 272 HB2 SER 37 1HB SER 37 -17.055 -0.701 -7.004 273 HB3 SER 37 2HB SER 37 -17.954 -1.961 -7.849 274 H THR 38 H THR 38 -15.540 -4.244 -5.767 275 HA THR 38 HA THR 38 -15.233 -6.538 -7.255 276 HB THR 38 HB THR 38 -14.775 -6.707 -4.947 277 HG1 THR 38 HG1 THR 38 -16.028 -8.508 -4.367 278 HG21 THR 38 3HG2 THR 38 -15.912 -5.391 -3.546 279 HG22 THR 38 1HG2 THR 38 -17.187 -6.608 -3.563 280 HG23 THR 38 2HG2 THR 38 -17.259 -5.240 -4.674 281 H LYS 39 H LYS 39 -18.162 -4.820 -6.487 282 HA LYS 39 HA LYS 39 -20.023 -6.865 -7.033 283 HB2 LYS 39 1HB LYS 39 -20.186 -3.861 -7.081 284 HB3 LYS 39 2HB LYS 39 -21.563 -4.859 -7.531 285 HG2 LYS 39 1HG LYS 39 -21.245 -6.000 -5.266 286 HG3 LYS 39 2HG LYS 39 -20.208 -4.628 -4.868 287 HD2 LYS 39 1HD LYS 39 -22.306 -3.989 -4.069 288 HD3 LYS 39 2HD LYS 39 -22.188 -3.174 -5.630 289 HE2 LYS 39 1HE LYS 39 -24.300 -4.071 -5.758 290 HE3 LYS 39 2HE LYS 39 -23.346 -5.346 -6.514 291 HZ1 LYS 39 3HZ LYS 39 -24.663 -5.314 -3.898 292 HZ2 LYS 39 1HZ LYS 39 -23.237 -6.211 -4.062 293 HZ3 LYS 39 2HZ LYS 39 -24.571 -6.555 -5.043 294 H GLU 40 H GLU 40 -18.712 -4.282 -9.098 295 HA GLU 40 HA GLU 40 -20.078 -5.259 -11.431 296 HB2 GLU 40 1HB GLU 40 -19.265 -2.831 -10.850 297 HB3 GLU 40 2HB GLU 40 -17.756 -3.375 -11.569 298 HG2 GLU 40 1HG GLU 40 -19.203 -2.191 -13.160 299 HG3 GLU 40 2HG GLU 40 -18.859 -3.848 -13.652 300 H LEU 41 H LEU 41 -16.793 -5.406 -10.147 301 HA LEU 41 HA LEU 41 -15.433 -6.457 -12.302 302 HG LEU 41 HG LEU 41 -13.790 -8.759 -10.388 303 HB2 LEU 41 1HB LEU 41 -14.321 -5.808 -10.257 304 HB3 LEU 41 2HB LEU 41 -15.122 -7.107 -9.375 305 HD11 LEU 41 1HD1 LEU 41 -13.576 -8.473 -12.612 306 HD12 LEU 41 2HD1 LEU 41 -12.034 -7.749 -12.156 307 HD13 LEU 41 3HD1 LEU 41 -13.429 -6.720 -12.484 308 HD21 LEU 41 3HD2 LEU 41 -12.192 -6.305 -9.713 309 HD22 LEU 41 1HD2 LEU 41 -11.435 -7.854 -10.083 310 HD23 LEU 41 2HD2 LEU 41 -12.525 -7.714 -8.704 311 H GLY 42 H GLY 42 -17.502 -8.122 -9.974 312 HA2 GLY 42 1HA GLY 42 -16.939 -10.762 -10.674 313 HA3 GLY 42 2HA GLY 42 -18.473 -10.200 -10.028 314 H LYS 43 H LYS 43 -19.023 -8.409 -12.243 315 HA LYS 43 HA LYS 43 -20.314 -10.269 -13.969 316 HB2 LYS 43 1HB LYS 43 -20.053 -7.282 -13.900 317 HB3 LYS 43 2HB LYS 43 -20.751 -8.071 -15.309 318 HG2 LYS 43 1HG LYS 43 -22.588 -7.512 -13.998 319 HG3 LYS 43 2HG LYS 43 -22.325 -9.224 -13.655 320 HD2 LYS 43 1HD LYS 43 -22.046 -8.790 -11.492 321 HD3 LYS 43 2HD LYS 43 -20.770 -7.626 -11.852 322 HE2 LYS 43 1HE LYS 43 -22.192 -5.839 -11.780 323 HE3 LYS 43 2HE LYS 43 -23.585 -6.788 -12.295 324 HZ1 LYS 43 3HZ LYS 43 -24.193 -6.874 -10.182 325 HZ2 LYS 43 1HZ LYS 43 -22.769 -6.113 -9.674 326 HZ3 LYS 43 2HZ LYS 43 -22.817 -7.796 -9.836 327 H VAL 44 H VAL 44 -17.754 -7.857 -14.563 328 HA VAL 44 HA VAL 44 -17.201 -8.439 -17.198 329 HB VAL 44 HB VAL 44 -15.163 -7.716 -15.088 330 HG11 VAL 44 1HG1 VAL 44 -13.841 -8.220 -16.881 331 HG12 VAL 44 2HG1 VAL 44 -15.101 -7.844 -18.058 332 HG13 VAL 44 3HG1 VAL 44 -14.222 -6.540 -17.257 333 HG21 VAL 44 3HG2 VAL 44 -16.945 -5.985 -16.796 334 HG22 VAL 44 1HG2 VAL 44 -16.958 -6.123 -15.038 335 HG23 VAL 44 2HG2 VAL 44 -15.580 -5.385 -15.854 336 H MET 45 H MET 45 -16.322 -10.225 -14.330 337 HA MET 45 HA MET 45 -14.246 -11.800 -15.239 338 HB2 MET 45 1HB MET 45 -16.533 -12.555 -13.415 339 HB3 MET 45 2HB MET 45 -15.079 -13.520 -13.630 340 HG2 MET 45 1HG MET 45 -14.530 -10.741 -12.955 341 HG3 MET 45 2HG MET 45 -15.464 -11.593 -11.728 342 HE1 MET 45 3HE MET 45 -11.297 -12.682 -13.272 343 HE2 MET 45 1HE MET 45 -12.634 -13.589 -13.981 344 HE3 MET 45 2HE MET 45 -12.579 -11.833 -14.138 345 H ARG 46 H ARG 46 -17.634 -11.954 -16.033 346 HA ARG 46 HA ARG 46 -17.755 -14.558 -17.066 347 HE ARG 46 HE ARG 46 -21.590 -9.772 -19.312 348 HB2 ARG 46 1HB ARG 46 -19.793 -13.914 -18.098 349 HB3 ARG 46 2HB ARG 46 -19.694 -13.001 -16.598 350 HG2 ARG 46 1HG ARG 46 -18.615 -11.182 -18.158 351 HG3 ARG 46 2HG ARG 46 -19.494 -12.062 -19.410 352 HD2 ARG 46 1HD ARG 46 -21.321 -11.793 -17.335 353 HD3 ARG 46 2HD ARG 46 -20.479 -10.244 -17.381 354 HH11 ARG 46 1HH1 ARG 46 -21.578 -13.224 -18.862 355 HH12 ARG 46 2HH1 ARG 46 -22.589 -13.537 -20.233 356 HH21 ARG 46 1HH2 ARG 46 -22.922 -10.172 -21.120 357 HH22 ARG 46 2HH2 ARG 46 -23.352 -11.801 -21.517 358 H MET 47 H MET 47 -16.636 -11.542 -18.462 359 HA MET 47 HA MET 47 -16.497 -12.425 -21.149 360 HB2 MET 47 1HB MET 47 -14.892 -10.267 -19.766 361 HB3 MET 47 2HB MET 47 -15.049 -10.474 -21.505 362 HG2 MET 47 1HG MET 47 -17.600 -10.261 -21.011 363 HG3 MET 47 2HG MET 47 -17.045 -9.492 -19.526 364 HE1 MET 47 3HE MET 47 -16.845 -9.763 -23.188 365 HE2 MET 47 1HE MET 47 -17.917 -8.374 -23.377 366 HE3 MET 47 2HE MET 47 -16.210 -8.234 -23.799 367 H LEU 48 H LEU 48 -14.237 -12.524 -18.450 368 HA LEU 48 HA LEU 48 -11.992 -13.391 -19.957 369 HG LEU 48 HG LEU 48 -10.692 -12.013 -16.782 370 HB2 LEU 48 1HB LEU 48 -12.692 -13.440 -17.042 371 HB3 LEU 48 2HB LEU 48 -11.214 -14.191 -17.639 372 HD11 LEU 48 1HD1 LEU 48 -10.708 -11.697 -19.766 373 HD12 LEU 48 2HD1 LEU 48 -9.659 -12.857 -18.952 374 HD13 LEU 48 3HD1 LEU 48 -9.507 -11.135 -18.602 375 HD21 LEU 48 3HD2 LEU 48 -11.803 -10.058 -17.274 376 HD22 LEU 48 1HD2 LEU 48 -13.131 -11.219 -17.266 377 HD23 LEU 48 2HD2 LEU 48 -12.443 -10.677 -18.797 378 H GLY 49 H GLY 49 -14.769 -14.994 -18.673 379 HA2 GLY 49 1HA GLY 49 -15.384 -17.146 -19.562 380 HA3 GLY 49 2HA GLY 49 -13.676 -17.552 -19.645 381 H GLN 50 H GLN 50 -14.582 -15.933 -16.794 382 HA GLN 50 HA GLN 50 -14.911 -18.473 -15.352 383 HB2 GLN 50 1HB GLN 50 -13.089 -16.196 -14.555 384 HB3 GLN 50 2HB GLN 50 -13.448 -17.596 -13.552 385 HG2 GLN 50 1HG GLN 50 -12.281 -19.050 -14.957 386 HG3 GLN 50 2HG GLN 50 -12.271 -17.896 -16.289 387 HE21 GLN 50 2HE2 GLN 50 -11.432 -17.506 -12.874 388 HE22 GLN 50 1HE2 GLN 50 -9.806 -16.991 -13.152 389 H ASN 51 H ASN 51 -15.963 -18.290 -13.287 390 HA ASN 51 HA ASN 51 -17.326 -15.761 -12.751 391 HB2 ASN 51 1HB ASN 51 -18.909 -18.321 -12.804 392 HB3 ASN 51 2HB ASN 51 -19.503 -16.663 -12.783 393 HD21 ASN 51 2HD2 ASN 51 -19.072 -19.305 -14.670 394 HD22 ASN 51 1HD2 ASN 51 -19.068 -18.555 -16.227 395 HA PRO 52 HA PRO 52 -15.757 -18.015 -8.976 396 HB2 PRO 52 1HB PRO 52 -14.365 -15.906 -7.984 397 HB3 PRO 52 2HB PRO 52 -13.673 -17.060 -9.130 398 HG2 PRO 52 1HG PRO 52 -14.813 -14.339 -9.637 399 HG3 PRO 52 2HG PRO 52 -13.345 -15.079 -10.302 400 HD2 PRO 52 1HD PRO 52 -15.667 -14.945 -11.690 401 HD3 PRO 52 2HD PRO 52 -14.516 -16.284 -11.880 402 H THR 53 H THR 53 -16.100 -17.384 -6.690 403 HA THR 53 HA THR 53 -18.695 -16.363 -6.289 404 HB THR 53 HB THR 53 -17.787 -16.245 -3.801 405 HG1 THR 53 HG1 THR 53 -16.087 -17.993 -3.747 406 HG21 THR 53 3HG2 THR 53 -18.621 -18.377 -3.488 407 HG22 THR 53 1HG2 THR 53 -17.903 -18.991 -4.976 408 HG23 THR 53 2HG2 THR 53 -19.329 -17.955 -5.047 409 HA PRO 54 HA PRO 54 -18.178 -12.033 -5.794 410 HB2 PRO 54 1HB PRO 54 -19.859 -11.484 -3.734 411 HB3 PRO 54 2HB PRO 54 -20.429 -11.914 -5.351 412 HG2 PRO 54 1HG PRO 54 -20.174 -13.633 -2.913 413 HG3 PRO 54 2HG PRO 54 -21.493 -13.557 -4.096 414 HD2 PRO 54 1HD PRO 54 -19.607 -15.500 -4.139 415 HD3 PRO 54 2HD PRO 54 -20.375 -14.881 -5.616 416 H GLU 55 H GLU 55 -18.243 -13.674 -2.624 417 HA GLU 55 HA GLU 55 -16.826 -11.712 -1.214 418 HB2 GLU 55 1HB GLU 55 -17.244 -14.657 -0.770 419 HB3 GLU 55 2HB GLU 55 -16.245 -13.707 0.321 420 HG2 GLU 55 1HG GLU 55 -18.194 -12.192 0.669 421 HG3 GLU 55 2HG GLU 55 -19.167 -13.322 -0.271 422 H GLU 56 H GLU 56 -15.747 -14.332 -3.255 423 HA GLU 56 HA GLU 56 -13.043 -14.384 -2.438 424 HB2 GLU 56 1HB GLU 56 -14.635 -15.467 -4.662 425 HB3 GLU 56 2HB GLU 56 -12.949 -15.164 -5.056 426 HG2 GLU 56 1HG GLU 56 -12.366 -16.485 -2.980 427 HG3 GLU 56 2HG GLU 56 -14.060 -16.971 -2.933 428 H LEU 57 H LEU 57 -14.825 -12.361 -4.656 429 HA LEU 57 HA LEU 57 -12.605 -11.255 -6.023 430 HG LEU 57 HG LEU 57 -13.489 -10.538 -8.066 431 HB2 LEU 57 1HB LEU 57 -15.477 -10.760 -5.824 432 HB3 LEU 57 2HB LEU 57 -14.528 -9.300 -6.091 433 HD11 LEU 57 1HD1 LEU 57 -14.697 -12.717 -7.086 434 HD12 LEU 57 2HD1 LEU 57 -14.308 -12.513 -8.794 435 HD13 LEU 57 3HD1 LEU 57 -15.939 -12.178 -8.216 436 HD21 LEU 57 3HD2 LEU 57 -15.199 -8.716 -8.185 437 HD22 LEU 57 1HD2 LEU 57 -16.441 -9.966 -8.252 438 HD23 LEU 57 2HD2 LEU 57 -15.237 -9.849 -9.536 439 H GLN 58 H GLN 58 -14.623 -9.930 -3.397 440 HA GLN 58 HA GLN 58 -13.120 -7.615 -2.963 441 HB2 GLN 58 1HB GLN 58 -15.287 -7.728 -2.007 442 HB3 GLN 58 2HB GLN 58 -14.916 -9.222 -1.156 443 HG2 GLN 58 1HG GLN 58 -14.984 -7.385 0.397 444 HG3 GLN 58 2HG GLN 58 -13.337 -8.002 0.270 445 HE21 GLN 58 2HE2 GLN 58 -11.887 -6.457 0.292 446 HE22 GLN 58 1HE2 GLN 58 -12.055 -4.883 -0.400 447 H GLU 59 H GLU 59 -12.538 -10.896 -2.046 448 HA GLU 59 HA GLU 59 -10.840 -10.527 0.149 449 HB2 GLU 59 1HB GLU 59 -11.571 -12.683 -1.628 450 HB3 GLU 59 2HB GLU 59 -9.848 -12.733 -1.278 451 HG2 GLU 59 1HG GLU 59 -11.971 -12.555 0.842 452 HG3 GLU 59 2HG GLU 59 -11.290 -14.073 0.259 453 H MET 60 H MET 60 -9.993 -10.968 -3.288 454 HA MET 60 HA MET 60 -7.230 -10.441 -2.890 455 HB2 MET 60 1HB MET 60 -8.998 -10.591 -5.316 456 HB3 MET 60 2HB MET 60 -7.316 -10.099 -5.453 457 HG2 MET 60 1HG MET 60 -8.054 -12.643 -4.069 458 HG3 MET 60 2HG MET 60 -7.939 -12.567 -5.826 459 HE1 MET 60 3HE MET 60 -4.597 -12.611 -2.761 460 HE2 MET 60 1HE MET 60 -6.276 -12.155 -2.465 461 HE3 MET 60 2HE MET 60 -5.881 -13.811 -2.926 462 H ILE 61 H ILE 61 -10.001 -8.456 -3.720 463 HA ILE 61 HA ILE 61 -8.562 -6.147 -4.504 464 HB ILE 61 HB ILE 61 -11.370 -6.443 -3.439 465 HG12 ILE 61 1HG1 ILE 61 -10.269 -6.082 -6.234 466 HG13 ILE 61 2HG1 ILE 61 -10.993 -7.547 -5.582 467 HG21 ILE 61 1HG2 ILE 61 -11.752 -4.175 -4.340 468 HG22 ILE 61 2HG2 ILE 61 -10.613 -4.196 -2.994 469 HG23 ILE 61 3HG2 ILE 61 -10.021 -4.033 -4.648 470 HD11 ILE 61 3HD1 ILE 61 -13.003 -5.819 -5.170 471 HD12 ILE 61 1HD1 ILE 61 -12.259 -5.094 -6.595 472 HD13 ILE 61 2HD1 ILE 61 -12.812 -6.769 -6.644 473 H ASP 62 H ASP 62 -9.313 -7.519 -1.435 474 HA ASP 62 HA ASP 62 -9.163 -5.174 0.146 475 HB2 ASP 62 1HB ASP 62 -10.094 -7.448 0.827 476 HB3 ASP 62 2HB ASP 62 -8.422 -7.949 1.067 477 H GLU 63 H GLU 63 -6.756 -7.685 -0.613 478 HA GLU 63 HA GLU 63 -4.640 -6.369 0.767 479 HB2 GLU 63 1HB GLU 63 -5.028 -8.878 -0.372 480 HB3 GLU 63 2HB GLU 63 -3.767 -8.151 -1.357 481 HG2 GLU 63 1HG GLU 63 -3.680 -8.342 1.643 482 HG3 GLU 63 2HG GLU 63 -2.918 -9.489 0.543 483 H VAL 64 H VAL 64 -6.011 -6.080 -2.384 484 HA VAL 64 HA VAL 64 -3.712 -4.803 -3.571 485 HB VAL 64 HB VAL 64 -6.562 -5.028 -4.550 486 HG11 VAL 64 1HG1 VAL 64 -4.778 -4.593 -6.682 487 HG12 VAL 64 2HG1 VAL 64 -6.044 -3.514 -6.090 488 HG13 VAL 64 3HG1 VAL 64 -4.403 -3.382 -5.456 489 HG21 VAL 64 3HG2 VAL 64 -4.722 -7.019 -4.314 490 HG22 VAL 64 1HG2 VAL 64 -6.023 -6.988 -5.504 491 HG23 VAL 64 2HG2 VAL 64 -4.406 -6.442 -5.950 492 H ASP 65 H ASP 65 -6.977 -3.736 -2.620 493 HA ASP 65 HA ASP 65 -6.548 -1.001 -3.133 494 HB2 ASP 65 1HB ASP 65 -8.758 -2.316 -2.694 495 HB3 ASP 65 2HB ASP 65 -8.437 -1.947 -1.002 496 H GLU 66 H GLU 66 -4.856 0.017 -2.231 497 HA GLU 66 HA GLU 66 -3.792 -0.543 0.318 498 HB2 GLU 66 1HB GLU 66 -2.473 1.484 0.023 499 HB3 GLU 66 2HB GLU 66 -2.502 0.550 -1.466 500 HG2 GLU 66 1HG GLU 66 -2.896 2.587 -2.349 501 HG3 GLU 66 2HG GLU 66 -4.561 2.151 -1.968 502 H ASP 67 H ASP 67 -6.169 1.797 -0.805 503 HA ASP 67 HA ASP 67 -6.454 2.865 1.905 504 HB2 ASP 67 1HB ASP 67 -8.074 4.459 0.718 505 HB3 ASP 67 2HB ASP 67 -6.363 4.615 0.329 506 H GLY 68 H GLY 68 -7.745 0.450 -0.001 507 HA2 GLY 68 1HA GLY 68 -9.658 -0.818 0.105 508 HA3 GLY 68 2HA GLY 68 -9.646 -0.401 1.812 509 H SER 69 H SER 69 -10.186 1.586 -1.088 510 HA SER 69 HA SER 69 -12.414 2.900 0.158 511 HG SER 69 HG SER 69 -10.188 3.642 -2.989 512 HB2 SER 69 1HB SER 69 -12.606 3.939 -2.209 513 HB3 SER 69 2HB SER 69 -11.176 4.313 -1.246 514 H GLY 70 H GLY 70 -12.110 -0.034 -1.333 515 HA2 GLY 70 1HA GLY 70 -13.992 -1.496 -1.529 516 HA3 GLY 70 2HA GLY 70 -14.993 -0.101 -1.904 517 H THR 71 H THR 71 -12.334 0.466 -3.639 518 HA THR 71 HA THR 71 -12.970 -1.308 -5.870 519 HB THR 71 HB THR 71 -13.146 0.548 -7.465 520 HG1 THR 71 HG1 THR 71 -13.284 2.278 -5.210 521 HG21 THR 71 3HG2 THR 71 -15.377 0.931 -7.110 522 HG22 THR 71 1HG2 THR 71 -15.162 1.249 -5.389 523 HG23 THR 71 2HG2 THR 71 -15.127 -0.409 -5.991 524 H VAL 72 H VAL 72 -11.425 -0.859 -7.751 525 HA VAL 72 HA VAL 72 -8.741 -0.449 -6.624 526 HB VAL 72 HB VAL 72 -9.612 -2.594 -7.986 527 HG11 VAL 72 1HG1 VAL 72 -10.031 -1.148 -9.997 528 HG12 VAL 72 2HG1 VAL 72 -8.283 -0.933 -10.118 529 HG13 VAL 72 3HG1 VAL 72 -8.989 -2.542 -10.280 530 HG21 VAL 72 3HG2 VAL 72 -7.443 -2.299 -6.832 531 HG22 VAL 72 1HG2 VAL 72 -7.294 -3.158 -8.365 532 HG23 VAL 72 2HG2 VAL 72 -6.829 -1.461 -8.257 533 H ASP 73 H ASP 73 -7.366 1.049 -7.430 534 HA ASP 73 HA ASP 73 -8.439 2.844 -9.497 535 HB2 ASP 73 1HB ASP 73 -7.798 3.661 -7.116 536 HB3 ASP 73 2HB ASP 73 -6.138 3.529 -7.690 537 H PHE 74 H PHE 74 -6.743 3.924 -10.870 538 HA PHE 74 HA PHE 74 -5.421 2.098 -12.454 539 HD1 PHE 74 HD1 PHE 74 -4.275 1.976 -14.072 540 HD2 PHE 74 HD2 PHE 74 -3.315 6.097 -13.615 541 HE1 PHE 74 HE1 PHE 74 -2.543 1.761 -15.807 542 HE2 PHE 74 HE2 PHE 74 -1.582 5.889 -15.349 543 HZ PHE 74 HZ PHE 74 -1.194 3.720 -16.448 544 HB2 PHE 74 1HB PHE 74 -5.905 4.399 -13.159 545 HB3 PHE 74 2HB PHE 74 -4.701 5.006 -12.028 546 H ASP 75 H ASP 75 -4.248 3.807 -9.616 547 HA ASP 75 HA ASP 75 -1.520 3.155 -9.866 548 HB2 ASP 75 1HB ASP 75 -3.097 3.619 -7.325 549 HB3 ASP 75 2HB ASP 75 -1.347 3.724 -7.498 550 H GLU 76 H GLU 76 -3.973 1.674 -7.734 551 HA GLU 76 HA GLU 76 -2.358 -0.506 -6.977 552 HB2 GLU 76 1HB GLU 76 -5.371 -0.256 -6.998 553 HB3 GLU 76 2HB GLU 76 -4.470 -1.523 -6.176 554 HG2 GLU 76 1HG GLU 76 -3.830 -0.169 -4.485 555 HG3 GLU 76 2HG GLU 76 -3.741 1.260 -5.513 556 H TRP 77 H TRP 77 -4.342 0.077 -9.756 557 HA TRP 77 HA TRP 77 -4.681 -2.623 -10.568 558 HD1 TRP 77 HD1 TRP 77 -7.709 -2.401 -11.875 559 HE1 TRP 77 HE1 TRP 77 -8.114 -3.910 -13.921 560 HE3 TRP 77 HE3 TRP 77 -3.330 -1.568 -14.378 561 HZ2 TRP 77 HZ2 TRP 77 -6.757 -4.650 -16.282 562 HZ3 TRP 77 HZ3 TRP 77 -2.961 -2.716 -16.523 563 HH2 TRP 77 HH2 TRP 77 -4.639 -4.225 -17.453 564 HB2 TRP 77 1HB TRP 77 -5.952 -0.508 -11.352 565 HB3 TRP 77 2HB TRP 77 -4.612 -0.299 -12.476 566 H LEU 78 H LEU 78 -2.204 -0.198 -11.136 567 HA LEU 78 HA LEU 78 -0.828 -1.605 -13.180 568 HG LEU 78 HG LEU 78 -1.294 0.722 -13.798 569 HB2 LEU 78 1HB LEU 78 -0.134 0.644 -11.335 570 HB3 LEU 78 2HB LEU 78 1.115 -0.099 -12.331 571 HD11 LEU 78 1HD1 LEU 78 -1.470 2.783 -13.002 572 HD12 LEU 78 2HD1 LEU 78 0.166 3.098 -13.580 573 HD13 LEU 78 3HD1 LEU 78 -0.092 2.541 -11.927 574 HD21 LEU 78 3HD2 LEU 78 1.489 1.606 -14.384 575 HD22 LEU 78 1HD2 LEU 78 0.200 1.123 -15.487 576 HD23 LEU 78 2HD2 LEU 78 1.080 -0.100 -14.570 577 H VAL 79 H VAL 79 -0.252 -1.291 -9.682 578 HA VAL 79 HA VAL 79 2.006 -2.960 -9.570 579 HB VAL 79 HB VAL 79 1.478 -3.194 -7.149 580 HG11 VAL 79 1HG1 VAL 79 2.398 -1.189 -6.767 581 HG12 VAL 79 2HG1 VAL 79 2.358 -0.999 -8.521 582 HG13 VAL 79 3HG1 VAL 79 1.063 -0.326 -7.530 583 HG21 VAL 79 3HG2 VAL 79 -0.422 -1.888 -6.249 584 HG22 VAL 79 1HG2 VAL 79 -0.975 -1.609 -7.900 585 HG23 VAL 79 2HG2 VAL 79 -0.935 -3.247 -7.249 586 H MET 80 H MET 80 -1.416 -3.655 -9.602 587 HA MET 80 HA MET 80 -1.510 -6.207 -8.566 588 HB2 MET 80 1HB MET 80 -3.517 -5.018 -9.225 589 HB3 MET 80 2HB MET 80 -3.034 -5.070 -10.915 590 HG2 MET 80 1HG MET 80 -3.330 -7.437 -10.998 591 HG3 MET 80 2HG MET 80 -3.592 -7.515 -9.258 592 HE1 MET 80 3HE MET 80 -6.532 -5.086 -11.830 593 HE2 MET 80 1HE MET 80 -5.009 -4.495 -11.163 594 HE3 MET 80 2HE MET 80 -4.999 -5.662 -12.486 595 H MET 81 H MET 81 -0.652 -5.209 -11.858 596 HA MET 81 HA MET 81 -0.323 -7.830 -12.879 597 HB2 MET 81 1HB MET 81 -0.442 -5.391 -14.017 598 HB3 MET 81 2HB MET 81 1.299 -5.641 -14.045 599 HG2 MET 81 1HG MET 81 0.487 -6.410 -16.112 600 HG3 MET 81 2HG MET 81 0.853 -7.848 -15.161 601 HE1 MET 81 3HE MET 81 -3.190 -5.956 -15.161 602 HE2 MET 81 1HE MET 81 -1.668 -5.217 -15.660 603 HE3 MET 81 2HE MET 81 -2.684 -6.032 -16.849 604 H ALA 82 H ALA 82 1.956 -5.466 -11.538 605 HA ALA 82 HA ALA 82 4.329 -6.840 -11.983 606 HB1 ALA 82 1HB ALA 82 3.647 -5.093 -9.621 607 HB2 ALA 82 2HB ALA 82 5.269 -5.519 -10.168 608 HB3 ALA 82 3HB ALA 82 4.226 -4.527 -11.188 609 H ARG 83 H ARG 83 1.863 -7.332 -9.555 610 HA ARG 83 HA ARG 83 3.333 -8.920 -7.760 611 HE ARG 83 HE ARG 83 -1.857 -9.364 -5.947 612 HB2 ARG 83 1HB ARG 83 0.988 -7.873 -7.492 613 HB3 ARG 83 2HB ARG 83 0.402 -9.319 -8.303 614 HG2 ARG 83 1HG ARG 83 0.977 -10.701 -6.548 615 HG3 ARG 83 2HG ARG 83 2.175 -9.569 -5.915 616 HD2 ARG 83 1HD ARG 83 0.535 -9.179 -4.400 617 HD3 ARG 83 2HD ARG 83 -0.008 -8.058 -5.647 618 HH11 ARG 83 1HH1 ARG 83 0.578 -11.228 -4.299 619 HH12 ARG 83 2HH1 ARG 83 -0.463 -12.585 -4.022 620 HH21 ARG 83 1HH2 ARG 83 -3.237 -11.144 -5.588 621 HH22 ARG 83 2HH2 ARG 83 -2.632 -12.536 -4.756 622 H CYS 84 H CYS 84 1.971 -9.598 -10.862 623 HA CYS 84 HA CYS 84 1.832 -12.431 -10.601 624 HG CYS 84 HG CYS 84 0.137 -12.810 -14.168 625 HB2 CYS 84 1HB CYS 84 0.652 -10.941 -12.329 626 HB3 CYS 84 2HB CYS 84 2.180 -10.950 -13.201 627 H MET 85 H MET 85 4.404 -10.245 -10.998 628 HA MET 85 HA MET 85 6.181 -11.968 -12.432 629 HB2 MET 85 1HB MET 85 7.712 -10.261 -12.304 630 HB3 MET 85 2HB MET 85 6.222 -9.354 -12.078 631 HG2 MET 85 1HG MET 85 6.602 -9.607 -9.592 632 HG3 MET 85 2HG MET 85 8.214 -10.194 -9.997 633 HE1 MET 85 3HE MET 85 10.243 -8.497 -10.045 634 HE2 MET 85 1HE MET 85 9.747 -8.857 -11.699 635 HE3 MET 85 2HE MET 85 10.126 -7.199 -11.234 636 H LYS 86 H LYS 86 5.230 -11.630 -9.140 637 HA LYS 86 HA LYS 86 7.547 -12.791 -7.949 638 HB2 LYS 86 1HB LYS 86 5.106 -11.639 -7.059 639 HB3 LYS 86 2HB LYS 86 5.222 -13.244 -6.349 640 HG2 LYS 86 1HG LYS 86 7.032 -12.707 -5.080 641 HG3 LYS 86 2HG LYS 86 7.621 -11.504 -6.229 642 HD2 LYS 86 1HD LYS 86 5.424 -10.238 -5.531 643 HD3 LYS 86 2HD LYS 86 5.563 -11.244 -4.087 644 HE2 LYS 86 1HE LYS 86 7.719 -9.431 -5.167 645 HE3 LYS 86 2HE LYS 86 6.648 -9.047 -3.820 646 HZ1 LYS 86 3HZ LYS 86 8.957 -10.798 -3.906 647 HZ2 LYS 86 1HZ LYS 86 7.637 -11.390 -3.029 648 HZ3 LYS 86 2HZ LYS 86 8.325 -9.900 -2.620 649 H ASP 87 H ASP 87 5.153 -14.077 -9.882 650 HA ASP 87 HA ASP 87 4.879 -16.641 -8.630 651 HB2 ASP 87 1HB ASP 87 3.241 -15.502 -10.259 652 HB3 ASP 87 2HB ASP 87 4.322 -16.064 -11.532 653 H ASP 88 H ASP 88 6.942 -17.461 -8.319 654 HA ASP 88 HA ASP 88 8.641 -17.853 -10.665 655 HB2 ASP 88 1HB ASP 88 9.576 -16.989 -8.486 656 HB3 ASP 88 2HB ASP 88 9.252 -18.577 -7.796 657 H SER 89 H SER 89 6.839 -19.358 -11.414 658 HA SER 89 HA SER 89 7.685 -22.070 -10.872 659 HG SER 89 HG SER 89 5.125 -23.737 -10.207 660 HB2 SER 89 1HB SER 89 6.077 -22.158 -9.204 661 HB3 SER 89 2HB SER 89 5.013 -21.017 -10.025 Start of MODEL 8 1 HA MET 1 HA MET 1 1.589 -0.734 -4.009 2 H1 MET 1 H MET 1 0.351 -0.046 -1.436 3 HB2 MET 1 1HB MET 1 0.108 1.290 -3.859 4 HB3 MET 1 2HB MET 1 1.288 2.004 -2.768 5 HG2 MET 1 1HG MET 1 2.894 1.360 -4.819 6 HG3 MET 1 2HG MET 1 1.384 1.627 -5.686 7 HE1 MET 1 3HE MET 1 1.937 3.964 -7.041 8 HE2 MET 1 1HE MET 1 0.393 3.654 -6.246 9 HE3 MET 1 2HE MET 1 1.153 5.240 -6.107 10 H ASP 2 H ASP 2 3.007 -2.006 -2.318 11 HA ASP 2 HA ASP 2 4.892 -0.684 -0.738 12 HB2 ASP 2 1HB ASP 2 5.309 -3.287 -2.220 13 HB3 ASP 2 2HB ASP 2 6.158 -2.747 -0.775 14 H ASP 3 H ASP 3 7.159 -0.321 -1.104 15 HA ASP 3 HA ASP 3 7.667 1.031 -3.554 16 HB2 ASP 3 1HB ASP 3 9.839 1.533 -2.633 17 HB3 ASP 3 2HB ASP 3 8.642 1.686 -1.350 18 H ILE 4 H ILE 4 8.248 -2.182 -2.408 19 HA ILE 4 HA ILE 4 10.337 -2.886 -4.191 20 HB ILE 4 HB ILE 4 9.896 -4.222 -2.209 21 HG12 ILE 4 1HG1 ILE 4 9.171 -6.196 -4.283 22 HG13 ILE 4 2HG1 ILE 4 10.561 -5.184 -4.663 23 HG21 ILE 4 1HG2 ILE 4 7.247 -3.930 -2.856 24 HG22 ILE 4 2HG2 ILE 4 7.555 -5.625 -3.233 25 HG23 ILE 4 3HG2 ILE 4 7.889 -5.006 -1.615 26 HD11 ILE 4 3HD1 ILE 4 10.205 -7.087 -2.376 27 HD12 ILE 4 1HD1 ILE 4 11.439 -7.090 -3.636 28 HD13 ILE 4 2HD1 ILE 4 11.461 -5.849 -2.383 29 H TYR 5 H TYR 5 6.841 -2.877 -4.442 30 HA TYR 5 HA TYR 5 6.850 -4.296 -6.963 31 HD1 TYR 5 HD2 TYR 5 6.162 -6.141 -6.570 32 HD2 TYR 5 HD1 TYR 5 3.498 -4.263 -3.835 33 HE1 TYR 5 HE2 TYR 5 5.913 -8.268 -5.360 34 HE2 TYR 5 HE1 TYR 5 3.243 -6.385 -2.617 35 HH TYR 5 HH TYR 5 5.252 -9.126 -3.262 36 HB2 TYR 5 1HB TYR 5 4.641 -2.955 -5.396 37 HB3 TYR 5 2HB TYR 5 4.387 -3.796 -6.921 38 H LYS 6 H LYS 6 6.291 -0.993 -5.821 39 HA LYS 6 HA LYS 6 5.605 0.134 -8.305 40 HB2 LYS 6 1HB LYS 6 5.736 2.199 -7.254 41 HB3 LYS 6 2HB LYS 6 5.434 1.115 -5.902 42 HG2 LYS 6 1HG LYS 6 7.136 2.287 -4.999 43 HG3 LYS 6 2HG LYS 6 8.099 1.086 -5.863 44 HD2 LYS 6 1HD LYS 6 9.126 3.010 -6.565 45 HD3 LYS 6 2HD LYS 6 7.901 2.835 -7.825 46 HE2 LYS 6 1HE LYS 6 7.869 5.107 -7.112 47 HE3 LYS 6 2HE LYS 6 6.422 4.334 -6.466 48 HZ1 LYS 6 3HZ LYS 6 7.046 4.939 -4.446 49 HZ2 LYS 6 1HZ LYS 6 8.435 5.679 -5.067 50 HZ3 LYS 6 2HZ LYS 6 8.482 4.057 -4.592 51 H ALA 7 H ALA 7 8.645 -0.796 -6.946 52 HA ALA 7 HA ALA 7 10.347 0.848 -8.493 53 HB1 ALA 7 1HB ALA 7 10.654 -1.560 -6.814 54 HB2 ALA 7 2HB ALA 7 11.906 -1.286 -8.026 55 HB3 ALA 7 3HB ALA 7 11.565 -0.050 -6.815 56 H ALA 8 H ALA 8 9.093 -2.433 -8.998 57 HA ALA 8 HA ALA 8 10.429 -2.714 -11.535 58 HB1 ALA 8 1HB ALA 8 8.621 -4.403 -9.884 59 HB2 ALA 8 2HB ALA 8 8.775 -4.764 -11.603 60 HB3 ALA 8 3HB ALA 8 10.203 -4.774 -10.569 61 H VAL 9 H VAL 9 7.349 -1.598 -10.402 62 HA VAL 9 HA VAL 9 5.952 -1.868 -12.881 63 HB VAL 9 HB VAL 9 5.352 -0.153 -10.467 64 HG11 VAL 9 1HG1 VAL 9 3.655 -0.775 -12.882 65 HG12 VAL 9 2HG1 VAL 9 3.076 0.013 -11.413 66 HG13 VAL 9 3HG1 VAL 9 4.293 0.802 -12.418 67 HG21 VAL 9 3HG2 VAL 9 4.521 -1.987 -9.526 68 HG22 VAL 9 1HG2 VAL 9 3.519 -2.304 -10.942 69 HG23 VAL 9 2HG2 VAL 9 5.166 -2.930 -10.869 70 H GLU 10 H GLU 10 7.556 0.829 -11.218 71 HA GLU 10 HA GLU 10 6.953 2.772 -13.187 72 HB2 GLU 10 1HB GLU 10 8.892 2.597 -10.914 73 HB3 GLU 10 2HB GLU 10 9.056 3.899 -12.084 74 HG2 GLU 10 1HG GLU 10 6.447 4.126 -11.556 75 HG3 GLU 10 2HG GLU 10 6.992 3.444 -10.025 76 H GLN 11 H GLN 11 9.422 0.350 -12.905 77 HA GLN 11 HA GLN 11 11.035 1.520 -15.024 78 HB2 GLN 11 1HB GLN 11 12.682 -0.027 -14.481 79 HB3 GLN 11 2HB GLN 11 11.910 0.266 -12.928 80 HG2 GLN 11 1HG GLN 11 10.559 -1.779 -13.265 81 HG3 GLN 11 2HG GLN 11 11.463 -2.088 -14.747 82 HE21 GLN 11 2HE2 GLN 11 12.393 -3.975 -14.088 83 HE22 GLN 11 1HE2 GLN 11 13.568 -4.069 -12.825 84 H LEU 12 H LEU 12 8.213 0.164 -15.185 85 HA LEU 12 HA LEU 12 8.536 -2.077 -16.892 86 HG LEU 12 HG LEU 12 6.779 -2.026 -14.624 87 HB2 LEU 12 1HB LEU 12 6.252 -0.235 -16.280 88 HB3 LEU 12 2HB LEU 12 6.109 -1.484 -17.514 89 HD11 LEU 12 1HD1 LEU 12 4.430 -2.903 -14.548 90 HD12 LEU 12 2HD1 LEU 12 4.147 -2.083 -16.082 91 HD13 LEU 12 3HD1 LEU 12 4.573 -1.148 -14.648 92 HD21 LEU 12 3HD2 LEU 12 5.988 -3.835 -16.905 93 HD22 LEU 12 1HD2 LEU 12 6.198 -4.337 -15.227 94 HD23 LEU 12 2HD2 LEU 12 7.578 -3.736 -16.147 95 H THR 13 H THR 13 7.276 -1.914 -19.134 96 HA THR 13 HA THR 13 8.759 0.082 -20.680 97 HB THR 13 HB THR 13 9.103 -2.172 -21.444 98 HG1 THR 13 HG1 THR 13 8.900 -1.573 -23.471 99 HG21 THR 13 3HG2 THR 13 6.367 -2.501 -20.756 100 HG22 THR 13 1HG2 THR 13 7.523 -3.731 -21.264 101 HG23 THR 13 2HG2 THR 13 6.545 -2.890 -22.467 102 H GLU 14 H GLU 14 7.694 1.131 -22.509 103 HA GLU 14 HA GLU 14 5.448 2.569 -21.818 104 HB2 GLU 14 1HB GLU 14 6.360 1.874 -24.615 105 HB3 GLU 14 2HB GLU 14 5.277 3.192 -24.189 106 HG2 GLU 14 1HG GLU 14 6.988 4.389 -23.109 107 HG3 GLU 14 2HG GLU 14 8.062 2.992 -23.092 108 H GLU 15 H GLU 15 5.654 -0.487 -23.560 109 HA GLU 15 HA GLU 15 2.938 -0.633 -24.325 110 HB2 GLU 15 1HB GLU 15 4.711 -3.005 -23.764 111 HB3 GLU 15 2HB GLU 15 3.365 -2.902 -24.891 112 HG2 GLU 15 1HG GLU 15 4.789 -1.108 -26.074 113 HG3 GLU 15 2HG GLU 15 6.125 -1.788 -25.147 114 H GLN 16 H GLN 16 4.691 -1.816 -21.489 115 HA GLN 16 HA GLN 16 2.584 -3.248 -20.315 116 HB2 GLN 16 1HB GLN 16 5.097 -1.997 -19.280 117 HB3 GLN 16 2HB GLN 16 3.915 -2.625 -18.139 118 HG2 GLN 16 1HG GLN 16 4.909 -4.318 -20.394 119 HG3 GLN 16 2HG GLN 16 5.846 -4.142 -18.911 120 HE21 GLN 16 2HE2 GLN 16 5.533 -5.719 -17.531 121 HE22 GLN 16 1HE2 GLN 16 4.066 -6.598 -17.292 122 H LYS 17 H LYS 17 3.682 0.089 -19.736 123 HA LYS 17 HA LYS 17 1.676 0.743 -17.871 124 HB2 LYS 17 1HB LYS 17 3.075 2.660 -19.738 125 HB3 LYS 17 2HB LYS 17 2.346 3.032 -18.181 126 HG2 LYS 17 1HG LYS 17 4.750 1.269 -18.608 127 HG3 LYS 17 2HG LYS 17 4.785 2.946 -18.058 128 HD2 LYS 17 1HD LYS 17 2.983 1.665 -16.359 129 HD3 LYS 17 2HD LYS 17 4.314 0.523 -16.556 130 HE2 LYS 17 1HE LYS 17 4.528 3.403 -15.687 131 HE3 LYS 17 2HE LYS 17 4.730 1.982 -14.664 132 HZ1 LYS 17 3HZ LYS 17 6.852 1.897 -15.233 133 HZ2 LYS 17 1HZ LYS 17 6.671 3.296 -16.166 134 HZ3 LYS 17 2HZ LYS 17 6.454 1.775 -16.873 135 H ASN 18 H ASN 18 1.825 1.018 -21.385 136 HA ASN 18 HA ASN 18 -0.568 2.487 -21.708 137 HB2 ASN 18 1HB ASN 18 0.790 2.537 -23.592 138 HB3 ASN 18 2HB ASN 18 1.138 0.813 -23.513 139 HD21 ASN 18 2HD2 ASN 18 0.050 -0.492 -24.811 140 HD22 ASN 18 1HD2 ASN 18 -1.370 -0.072 -25.700 141 H GLU 19 H GLU 19 0.133 -0.964 -21.568 142 HA GLU 19 HA GLU 19 -2.426 -1.873 -22.340 143 HB2 GLU 19 1HB GLU 19 -0.112 -3.094 -20.882 144 HB3 GLU 19 2HB GLU 19 -1.646 -3.951 -20.945 145 HG2 GLU 19 1HG GLU 19 -0.493 -2.925 -23.483 146 HG3 GLU 19 2HG GLU 19 0.231 -4.349 -22.740 147 H PHE 20 H PHE 20 -0.964 -1.447 -19.122 148 HA PHE 20 HA PHE 20 -3.294 -2.166 -17.686 149 HD1 PHE 20 HD2 PHE 20 -2.072 -3.833 -17.532 150 HD2 PHE 20 HD1 PHE 20 0.967 -1.359 -15.869 151 HE1 PHE 20 HE2 PHE 20 -0.507 -5.731 -17.578 152 HE2 PHE 20 HE1 PHE 20 2.537 -3.253 -15.913 153 HZ PHE 20 HZ PHE 20 1.801 -5.443 -16.767 154 HB2 PHE 20 1HB PHE 20 -1.036 -0.401 -16.724 155 HB3 PHE 20 2HB PHE 20 -2.146 -1.340 -15.731 156 H LYS 21 H LYS 21 -1.955 0.947 -18.701 157 HA LYS 21 HA LYS 21 -3.865 2.566 -17.393 158 HB2 LYS 21 1HB LYS 21 -1.674 3.369 -18.269 159 HB3 LYS 21 2HB LYS 21 -2.303 3.200 -19.902 160 HG2 LYS 21 1HG LYS 21 -4.042 4.852 -19.390 161 HG3 LYS 21 2HG LYS 21 -3.370 5.039 -17.769 162 HD2 LYS 21 1HD LYS 21 -2.442 6.816 -18.965 163 HD3 LYS 21 2HD LYS 21 -1.166 5.597 -18.970 164 HE2 LYS 21 1HE LYS 21 -1.478 5.093 -21.203 165 HE3 LYS 21 2HE LYS 21 -3.141 5.678 -21.209 166 HZ1 LYS 21 3HZ LYS 21 -2.405 7.599 -21.988 167 HZ2 LYS 21 1HZ LYS 21 -0.804 7.055 -21.927 168 HZ3 LYS 21 2HZ LYS 21 -1.483 7.833 -20.588 169 H ALA 22 H ALA 22 -3.701 1.262 -20.686 170 HA ALA 22 HA ALA 22 -6.107 2.493 -21.572 171 HB1 ALA 22 1HB ALA 22 -5.867 1.219 -23.548 172 HB2 ALA 22 2HB ALA 22 -4.232 1.625 -23.027 173 HB3 ALA 22 3HB ALA 22 -4.875 0.009 -22.735 174 H ALA 23 H ALA 23 -5.352 -0.861 -20.626 175 HA ALA 23 HA ALA 23 -7.908 -1.921 -20.872 176 HB1 ALA 23 1HB ALA 23 -7.113 -3.570 -19.103 177 HB2 ALA 23 2HB ALA 23 -6.145 -3.442 -20.572 178 HB3 ALA 23 3HB ALA 23 -5.606 -2.655 -19.089 179 H PHE 24 H PHE 24 -6.533 0.068 -18.362 180 HA PHE 24 HA PHE 24 -8.408 -0.458 -16.325 181 HD1 PHE 24 HD2 PHE 24 -7.390 0.076 -13.785 182 HD2 PHE 24 HD1 PHE 24 -8.184 3.723 -15.831 183 HE1 PHE 24 HE2 PHE 24 -8.351 1.018 -11.725 184 HE2 PHE 24 HE1 PHE 24 -9.146 4.671 -13.774 185 HZ PHE 24 HZ PHE 24 -9.231 3.318 -11.718 186 HB2 PHE 24 1HB PHE 24 -6.260 0.690 -15.929 187 HB3 PHE 24 2HB PHE 24 -6.842 2.079 -16.841 188 H ASP 25 H ASP 25 -8.427 1.740 -19.060 189 HA ASP 25 HA ASP 25 -10.667 3.277 -18.276 190 HB2 ASP 25 1HB ASP 25 -8.928 3.761 -20.121 191 HB3 ASP 25 2HB ASP 25 -9.930 2.734 -21.143 192 H ILE 26 H ILE 26 -10.338 0.371 -20.276 193 HA ILE 26 HA ILE 26 -13.061 0.185 -21.007 194 HB ILE 26 HB ILE 26 -10.934 -1.950 -20.841 195 HG12 ILE 26 1HG1 ILE 26 -11.678 -1.448 -23.495 196 HG13 ILE 26 2HG1 ILE 26 -11.569 0.140 -22.744 197 HG21 ILE 26 1HG2 ILE 26 -13.760 -2.050 -21.846 198 HG22 ILE 26 2HG2 ILE 26 -12.521 -3.155 -22.441 199 HG23 ILE 26 3HG2 ILE 26 -12.944 -3.145 -20.729 200 HD11 ILE 26 3HD1 ILE 26 -9.351 -1.741 -22.226 201 HD12 ILE 26 1HD1 ILE 26 -9.488 -1.078 -23.854 202 HD13 ILE 26 2HD1 ILE 26 -9.330 0.005 -22.470 203 H PHE 27 H PHE 27 -11.290 -0.789 -18.175 204 HA PHE 27 HA PHE 27 -13.346 -2.538 -17.178 205 HD1 PHE 27 HD2 PHE 27 -10.853 -3.108 -18.471 206 HD2 PHE 27 HD1 PHE 27 -11.202 -4.302 -14.401 207 HE1 PHE 27 HE2 PHE 27 -10.052 -5.357 -19.066 208 HE2 PHE 27 HE1 PHE 27 -10.400 -6.553 -14.989 209 HZ PHE 27 HZ PHE 27 -9.825 -7.083 -17.324 210 HB2 PHE 27 1HB PHE 27 -10.742 -1.497 -16.134 211 HB3 PHE 27 2HB PHE 27 -11.894 -2.202 -15.005 212 H VAL 28 H VAL 28 -12.288 0.778 -16.583 213 HA VAL 28 HA VAL 28 -14.295 1.192 -14.537 214 HB VAL 28 HB VAL 28 -13.440 3.441 -14.358 215 HG11 VAL 28 1HG1 VAL 28 -10.813 2.324 -14.639 216 HG12 VAL 28 2HG1 VAL 28 -11.724 2.679 -13.171 217 HG13 VAL 28 3HG1 VAL 28 -11.913 1.119 -13.972 218 HG21 VAL 28 3HG2 VAL 28 -12.144 2.796 -16.974 219 HG22 VAL 28 1HG2 VAL 28 -13.063 4.224 -16.501 220 HG23 VAL 28 2HG2 VAL 28 -11.420 3.995 -15.902 221 H LEU 29 H LEU 29 -14.573 0.865 -17.719 222 HA LEU 29 HA LEU 29 -15.874 3.116 -18.700 223 HG LEU 29 HG LEU 29 -14.392 1.894 -20.634 224 HB2 LEU 29 1HB LEU 29 -15.731 0.272 -19.389 225 HB3 LEU 29 2HB LEU 29 -17.208 1.073 -19.921 226 HD11 LEU 29 1HD1 LEU 29 -15.806 -0.204 -21.646 227 HD12 LEU 29 2HD1 LEU 29 -14.562 0.694 -22.515 228 HD13 LEU 29 3HD1 LEU 29 -16.263 1.102 -22.739 229 HD21 LEU 29 3HD2 LEU 29 -17.068 3.123 -21.105 230 HD22 LEU 29 1HD2 LEU 29 -15.823 3.265 -22.346 231 HD23 LEU 29 2HD2 LEU 29 -15.525 3.890 -20.724 232 H GLY 30 H GLY 30 -16.954 0.729 -16.442 233 HA2 GLY 30 1HA GLY 30 -19.758 1.447 -16.731 234 HA3 GLY 30 2HA GLY 30 -19.092 0.264 -15.614 235 H ALA 31 H ALA 31 -17.066 2.215 -14.653 236 HA ALA 31 HA ALA 31 -18.633 3.328 -12.536 237 HB1 ALA 31 1HB ALA 31 -16.503 2.600 -11.897 238 HB2 ALA 31 2HB ALA 31 -15.717 3.435 -13.237 239 HB3 ALA 31 3HB ALA 31 -16.384 4.360 -11.892 240 H GLU 32 H GLU 32 -18.207 5.684 -11.874 241 HA GLU 32 HA GLU 32 -18.689 7.372 -14.234 242 HB2 GLU 32 1HB GLU 32 -20.393 7.101 -12.266 243 HB3 GLU 32 2HB GLU 32 -19.327 8.224 -11.433 244 HG2 GLU 32 1HG GLU 32 -20.304 8.901 -14.163 245 HG3 GLU 32 2HG GLU 32 -21.385 9.086 -12.784 246 H ASP 33 H ASP 33 -16.933 7.216 -11.170 247 HA ASP 33 HA ASP 33 -15.509 9.674 -11.706 248 HB2 ASP 33 1HB ASP 33 -15.021 7.626 -9.534 249 HB3 ASP 33 2HB ASP 33 -14.394 9.271 -9.586 250 H GLY 34 H GLY 34 -14.949 6.225 -11.965 251 HA2 GLY 34 1HA GLY 34 -13.378 5.602 -13.778 252 HA3 GLY 34 2HA GLY 34 -12.294 6.820 -13.121 253 H CYS 35 H CYS 35 -14.173 4.120 -11.740 254 HA CYS 35 HA CYS 35 -11.688 2.902 -10.814 255 HG CYS 35 HG CYS 35 -10.750 4.597 -8.479 256 HB2 CYS 35 1HB CYS 35 -13.970 3.622 -8.963 257 HB3 CYS 35 2HB CYS 35 -12.583 2.635 -8.519 258 H ILE 36 H ILE 36 -12.298 0.770 -9.585 259 HA ILE 36 HA ILE 36 -14.531 -0.523 -11.006 260 HB ILE 36 HB ILE 36 -11.818 -1.740 -10.472 261 HG12 ILE 36 1HG1 ILE 36 -12.657 -1.718 -13.229 262 HG13 ILE 36 2HG1 ILE 36 -12.695 -0.083 -12.578 263 HG21 ILE 36 1HG2 ILE 36 -12.791 -3.579 -11.952 264 HG22 ILE 36 2HG2 ILE 36 -13.364 -3.489 -10.287 265 HG23 ILE 36 3HG2 ILE 36 -14.363 -2.863 -11.598 266 HD11 ILE 36 3HD1 ILE 36 -10.455 -1.668 -13.388 267 HD12 ILE 36 1HD1 ILE 36 -10.519 0.035 -12.934 268 HD13 ILE 36 2HD1 ILE 36 -10.288 -1.200 -11.696 269 H SER 37 H SER 37 -15.980 -1.311 -9.644 270 HA SER 37 HA SER 37 -15.276 -1.729 -6.853 271 HG SER 37 HG SER 37 -18.989 -2.456 -8.004 272 HB2 SER 37 1HB SER 37 -17.669 -1.917 -6.466 273 HB3 SER 37 2HB SER 37 -17.352 -0.502 -7.470 274 H THR 38 H THR 38 -15.502 -3.667 -5.747 275 HA THR 38 HA THR 38 -14.697 -5.993 -6.982 276 HB THR 38 HB THR 38 -14.475 -5.931 -4.640 277 HG1 THR 38 HG1 THR 38 -16.686 -7.662 -4.747 278 HG21 THR 38 3HG2 THR 38 -15.912 -4.654 -3.498 279 HG22 THR 38 1HG2 THR 38 -16.992 -6.047 -3.482 280 HG23 THR 38 2HG2 THR 38 -17.156 -4.819 -4.737 281 H LYS 39 H LYS 39 -17.911 -4.690 -6.666 282 HA LYS 39 HA LYS 39 -19.363 -7.049 -7.235 283 HB2 LYS 39 1HB LYS 39 -19.958 -4.122 -7.310 284 HB3 LYS 39 2HB LYS 39 -21.085 -5.232 -8.079 285 HG2 LYS 39 1HG LYS 39 -21.975 -5.051 -5.973 286 HG3 LYS 39 2HG LYS 39 -20.970 -6.493 -5.805 287 HD2 LYS 39 1HD LYS 39 -19.217 -5.207 -4.763 288 HD3 LYS 39 2HD LYS 39 -20.096 -3.704 -5.054 289 HE2 LYS 39 1HE LYS 39 -21.689 -4.175 -3.435 290 HE3 LYS 39 2HE LYS 39 -21.360 -5.906 -3.472 291 HZ1 LYS 39 3HZ LYS 39 -20.522 -4.562 -1.487 292 HZ2 LYS 39 1HZ LYS 39 -19.319 -3.994 -2.531 293 HZ3 LYS 39 2HZ LYS 39 -19.447 -5.649 -2.210 294 H GLU 40 H GLU 40 -18.456 -4.312 -9.334 295 HA GLU 40 HA GLU 40 -19.360 -5.606 -11.710 296 HB2 GLU 40 1HB GLU 40 -17.449 -3.278 -11.474 297 HB3 GLU 40 2HB GLU 40 -18.386 -3.732 -12.890 298 HG2 GLU 40 1HG GLU 40 -19.672 -2.953 -10.294 299 HG3 GLU 40 2HG GLU 40 -19.234 -1.775 -11.531 300 H LEU 41 H LEU 41 -16.356 -5.494 -9.960 301 HA LEU 41 HA LEU 41 -14.598 -6.301 -11.994 302 HG LEU 41 HG LEU 41 -12.914 -8.310 -9.798 303 HB2 LEU 41 1HB LEU 41 -13.774 -5.434 -9.908 304 HB3 LEU 41 2HB LEU 41 -14.514 -6.762 -9.018 305 HD11 LEU 41 1HD1 LEU 41 -12.392 -8.131 -11.966 306 HD12 LEU 41 2HD1 LEU 41 -11.088 -7.084 -11.406 307 HD13 LEU 41 3HD1 LEU 41 -12.602 -6.379 -11.974 308 HD21 LEU 41 3HD2 LEU 41 -11.842 -7.237 -8.083 309 HD22 LEU 41 1HD2 LEU 41 -11.837 -5.680 -8.912 310 HD23 LEU 41 2HD2 LEU 41 -10.703 -6.940 -9.398 311 H GLY 42 H GLY 42 -16.908 -8.068 -10.087 312 HA2 GLY 42 1HA GLY 42 -15.806 -10.662 -10.698 313 HA3 GLY 42 2HA GLY 42 -17.342 -10.338 -9.907 314 H LYS 43 H LYS 43 -18.307 -8.586 -12.021 315 HA LYS 43 HA LYS 43 -19.536 -10.542 -13.662 316 HB2 LYS 43 1HB LYS 43 -20.924 -8.871 -14.276 317 HB3 LYS 43 2HB LYS 43 -20.147 -7.989 -12.968 318 HG2 LYS 43 1HG LYS 43 -18.582 -7.001 -14.572 319 HG3 LYS 43 2HG LYS 43 -19.387 -7.870 -15.880 320 HD2 LYS 43 1HD LYS 43 -21.527 -6.700 -15.051 321 HD3 LYS 43 2HD LYS 43 -20.428 -5.621 -14.188 322 HE2 LYS 43 1HE LYS 43 -19.460 -4.842 -16.183 323 HE3 LYS 43 2HE LYS 43 -20.134 -6.170 -17.127 324 HZ1 LYS 43 3HZ LYS 43 -21.407 -4.255 -17.608 325 HZ2 LYS 43 1HZ LYS 43 -21.586 -3.858 -15.973 326 HZ3 LYS 43 2HZ LYS 43 -22.370 -5.217 -16.604 327 H VAL 44 H VAL 44 -16.844 -8.328 -14.134 328 HA VAL 44 HA VAL 44 -16.552 -8.699 -16.920 329 HB VAL 44 HB VAL 44 -14.444 -7.959 -14.885 330 HG11 VAL 44 1HG1 VAL 44 -13.029 -8.173 -16.595 331 HG12 VAL 44 2HG1 VAL 44 -14.342 -8.388 -17.754 332 HG13 VAL 44 3HG1 VAL 44 -13.822 -6.765 -17.299 333 HG21 VAL 44 3HG2 VAL 44 -14.946 -5.676 -15.374 334 HG22 VAL 44 1HG2 VAL 44 -16.065 -6.139 -16.656 335 HG23 VAL 44 2HG2 VAL 44 -16.465 -6.479 -14.973 336 H MET 45 H MET 45 -15.507 -10.545 -14.153 337 HA MET 45 HA MET 45 -13.441 -12.048 -15.198 338 HB2 MET 45 1HB MET 45 -15.607 -13.149 -13.406 339 HB3 MET 45 2HB MET 45 -13.941 -13.700 -13.528 340 HG2 MET 45 1HG MET 45 -14.918 -11.094 -12.392 341 HG3 MET 45 2HG MET 45 -14.189 -12.439 -11.518 342 HE1 MET 45 3HE MET 45 -10.600 -12.475 -13.019 343 HE2 MET 45 1HE MET 45 -12.037 -13.481 -12.832 344 HE3 MET 45 2HE MET 45 -11.734 -12.652 -14.359 345 H ARG 46 H ARG 46 -16.857 -12.247 -15.847 346 HA ARG 46 HA ARG 46 -17.005 -14.821 -16.929 347 HE ARG 46 HE ARG 46 -19.942 -10.696 -19.956 348 HB2 ARG 46 1HB ARG 46 -19.081 -14.193 -17.824 349 HB3 ARG 46 2HB ARG 46 -18.902 -13.180 -16.397 350 HG2 ARG 46 1HG ARG 46 -18.015 -11.389 -17.955 351 HG3 ARG 46 2HG ARG 46 -18.595 -12.401 -19.279 352 HD2 ARG 46 1HD ARG 46 -20.816 -12.389 -17.862 353 HD3 ARG 46 2HD ARG 46 -20.128 -10.902 -17.211 354 HH11 ARG 46 1HH1 ARG 46 -22.475 -11.067 -17.597 355 HH12 ARG 46 2HH1 ARG 46 -23.659 -10.228 -18.544 356 HH21 ARG 46 1HH2 ARG 46 -21.491 -9.589 -21.212 357 HH22 ARG 46 2HH2 ARG 46 -23.098 -9.388 -20.600 358 H MET 47 H MET 47 -15.849 -11.811 -18.286 359 HA MET 47 HA MET 47 -15.819 -12.603 -21.000 360 HB2 MET 47 1HB MET 47 -14.250 -10.523 -19.480 361 HB3 MET 47 2HB MET 47 -14.102 -10.748 -21.218 362 HG2 MET 47 1HG MET 47 -16.800 -10.544 -20.914 363 HG3 MET 47 2HG MET 47 -16.208 -9.461 -19.656 364 HE1 MET 47 3HE MET 47 -17.851 -7.918 -22.348 365 HE2 MET 47 1HE MET 47 -17.495 -7.764 -20.628 366 HE3 MET 47 2HE MET 47 -16.826 -6.602 -21.773 367 H LEU 48 H LEU 48 -13.378 -12.744 -18.435 368 HA LEU 48 HA LEU 48 -11.315 -13.791 -20.082 369 HG LEU 48 HG LEU 48 -11.868 -11.752 -17.567 370 HB2 LEU 48 1HB LEU 48 -11.560 -14.156 -17.108 371 HB3 LEU 48 2HB LEU 48 -10.090 -14.135 -18.081 372 HD11 LEU 48 1HD1 LEU 48 -9.116 -11.853 -16.523 373 HD12 LEU 48 2HD1 LEU 48 -10.284 -12.906 -15.725 374 HD13 LEU 48 3HD1 LEU 48 -10.579 -11.169 -15.814 375 HD21 LEU 48 3HD2 LEU 48 -9.827 -10.545 -18.461 376 HD22 LEU 48 1HD2 LEU 48 -10.796 -11.428 -19.641 377 HD23 LEU 48 2HD2 LEU 48 -9.281 -12.114 -19.055 378 H GLY 49 H GLY 49 -14.014 -15.197 -18.432 379 HA2 GLY 49 1HA GLY 49 -14.772 -17.371 -19.218 380 HA3 GLY 49 2HA GLY 49 -13.087 -17.860 -19.305 381 H GLN 50 H GLN 50 -14.017 -15.996 -16.575 382 HA GLN 50 HA GLN 50 -14.277 -18.425 -14.940 383 HB2 GLN 50 1HB GLN 50 -12.465 -16.065 -14.461 384 HB3 GLN 50 2HB GLN 50 -12.934 -17.166 -13.172 385 HG2 GLN 50 1HG GLN 50 -12.044 -19.016 -14.721 386 HG3 GLN 50 2HG GLN 50 -11.246 -17.700 -15.581 387 HE21 GLN 50 2HE2 GLN 50 -9.984 -16.195 -14.134 388 HE22 GLN 50 1HE2 GLN 50 -9.038 -16.928 -12.889 389 H ASN 51 H ASN 51 -15.672 -18.302 -13.219 390 HA ASN 51 HA ASN 51 -16.957 -15.727 -12.666 391 HB2 ASN 51 1HB ASN 51 -18.409 -16.819 -14.286 392 HB3 ASN 51 2HB ASN 51 -18.429 -18.290 -13.316 393 HD21 ASN 51 2HD2 ASN 51 -19.249 -14.856 -13.210 394 HD22 ASN 51 1HD2 ASN 51 -20.607 -15.032 -12.158 395 HA PRO 52 HA PRO 52 -15.841 -18.191 -8.860 396 HB2 PRO 52 1HB PRO 52 -14.471 -16.184 -7.652 397 HB3 PRO 52 2HB PRO 52 -13.717 -17.321 -8.776 398 HG2 PRO 52 1HG PRO 52 -14.697 -14.536 -9.272 399 HG3 PRO 52 2HG PRO 52 -13.202 -15.311 -9.826 400 HD2 PRO 52 1HD PRO 52 -15.372 -15.025 -11.420 401 HD3 PRO 52 2HD PRO 52 -14.261 -16.403 -11.557 402 H THR 53 H THR 53 -16.250 -17.490 -6.541 403 HA THR 53 HA THR 53 -18.877 -16.636 -6.232 404 HB THR 53 HB THR 53 -17.900 -16.070 -3.783 405 HG1 THR 53 HG1 THR 53 -16.105 -17.431 -3.412 406 HG21 THR 53 3HG2 THR 53 -19.562 -17.796 -4.346 407 HG22 THR 53 1HG2 THR 53 -18.370 -18.388 -3.190 408 HG23 THR 53 2HG2 THR 53 -18.264 -18.859 -4.887 409 HA PRO 54 HA PRO 54 -18.865 -12.247 -6.263 410 HB2 PRO 54 1HB PRO 54 -20.613 -11.652 -4.273 411 HB3 PRO 54 2HB PRO 54 -21.118 -12.336 -5.823 412 HG2 PRO 54 1HG PRO 54 -20.685 -13.708 -3.198 413 HG3 PRO 54 2HG PRO 54 -21.996 -13.927 -4.373 414 HD2 PRO 54 1HD PRO 54 -19.899 -15.631 -4.195 415 HD3 PRO 54 2HD PRO 54 -20.722 -15.287 -5.730 416 H GLU 55 H GLU 55 -18.767 -13.491 -2.917 417 HA GLU 55 HA GLU 55 -17.546 -11.206 -1.807 418 HB2 GLU 55 1HB GLU 55 -17.586 -14.074 -0.857 419 HB3 GLU 55 2HB GLU 55 -16.984 -12.728 0.099 420 HG2 GLU 55 1HG GLU 55 -19.237 -11.679 -0.093 421 HG3 GLU 55 2HG GLU 55 -19.799 -13.161 -0.864 422 H GLU 56 H GLU 56 -16.271 -13.982 -3.469 423 HA GLU 56 HA GLU 56 -13.618 -13.928 -2.606 424 HB2 GLU 56 1HB GLU 56 -15.114 -15.095 -4.808 425 HB3 GLU 56 2HB GLU 56 -13.496 -14.618 -5.302 426 HG2 GLU 56 1HG GLU 56 -14.040 -16.304 -2.877 427 HG3 GLU 56 2HG GLU 56 -13.748 -16.977 -4.480 428 H LEU 57 H LEU 57 -15.257 -12.054 -5.103 429 HA LEU 57 HA LEU 57 -13.111 -10.881 -6.377 430 HG LEU 57 HG LEU 57 -16.124 -9.835 -8.218 431 HB2 LEU 57 1HB LEU 57 -15.891 -9.983 -5.782 432 HB3 LEU 57 2HB LEU 57 -14.755 -8.839 -6.496 433 HD11 LEU 57 1HD1 LEU 57 -13.326 -9.809 -8.181 434 HD12 LEU 57 2HD1 LEU 57 -14.384 -9.796 -9.591 435 HD13 LEU 57 3HD1 LEU 57 -13.784 -11.327 -8.954 436 HD21 LEU 57 3HD2 LEU 57 -15.988 -12.256 -8.685 437 HD22 LEU 57 1HD2 LEU 57 -16.742 -11.901 -7.131 438 HD23 LEU 57 2HD2 LEU 57 -15.074 -12.470 -7.191 439 H GLN 58 H GLN 58 -14.868 -9.571 -3.562 440 HA GLN 58 HA GLN 58 -13.114 -7.404 -3.145 441 HB2 GLN 58 1HB GLN 58 -15.282 -7.269 -2.184 442 HB3 GLN 58 2HB GLN 58 -15.087 -8.805 -1.350 443 HG2 GLN 58 1HG GLN 58 -14.929 -6.987 0.219 444 HG3 GLN 58 2HG GLN 58 -13.370 -7.797 0.080 445 HE21 GLN 58 2HE2 GLN 58 -11.735 -6.449 0.083 446 HE22 GLN 58 1HE2 GLN 58 -11.717 -4.856 -0.583 447 H GLU 59 H GLU 59 -12.941 -10.746 -2.284 448 HA GLU 59 HA GLU 59 -11.208 -10.628 -0.090 449 HB2 GLU 59 1HB GLU 59 -12.348 -12.635 -1.687 450 HB3 GLU 59 2HB GLU 59 -10.611 -12.884 -1.794 451 HG2 GLU 59 1HG GLU 59 -10.761 -12.589 0.823 452 HG3 GLU 59 2HG GLU 59 -12.422 -13.110 0.544 453 H MET 60 H MET 60 -10.430 -11.086 -3.540 454 HA MET 60 HA MET 60 -7.623 -10.936 -3.155 455 HB2 MET 60 1HB MET 60 -7.521 -10.718 -5.617 456 HB3 MET 60 2HB MET 60 -8.538 -12.055 -5.099 457 HG2 MET 60 1HG MET 60 -10.518 -10.871 -5.613 458 HG3 MET 60 2HG MET 60 -9.639 -9.358 -5.823 459 HE1 MET 60 3HE MET 60 -11.028 -12.505 -7.425 460 HE2 MET 60 1HE MET 60 -9.983 -12.818 -8.810 461 HE3 MET 60 2HE MET 60 -9.386 -13.098 -7.175 462 H ILE 61 H ILE 61 -10.116 -8.567 -3.601 463 HA ILE 61 HA ILE 61 -8.364 -6.433 -4.382 464 HB ILE 61 HB ILE 61 -11.209 -6.404 -3.373 465 HG12 ILE 61 1HG1 ILE 61 -10.100 -5.922 -6.146 466 HG13 ILE 61 2HG1 ILE 61 -10.776 -7.454 -5.602 467 HG21 ILE 61 1HG2 ILE 61 -10.739 -4.255 -2.886 468 HG22 ILE 61 2HG2 ILE 61 -9.311 -4.222 -3.918 469 HG23 ILE 61 3HG2 ILE 61 -10.915 -4.035 -4.627 470 HD11 ILE 61 3HD1 ILE 61 -12.142 -5.421 -6.838 471 HD12 ILE 61 1HD1 ILE 61 -12.858 -6.759 -5.940 472 HD13 ILE 61 2HD1 ILE 61 -12.564 -5.216 -5.138 473 H ASP 62 H ASP 62 -9.370 -7.839 -1.399 474 HA ASP 62 HA ASP 62 -8.980 -5.636 0.318 475 HB2 ASP 62 1HB ASP 62 -10.157 -7.767 0.922 476 HB3 ASP 62 2HB ASP 62 -8.584 -8.557 0.993 477 H GLU 63 H GLU 63 -6.809 -8.299 -0.607 478 HA GLU 63 HA GLU 63 -4.594 -7.297 0.874 479 HB2 GLU 63 1HB GLU 63 -5.193 -9.604 -0.714 480 HB3 GLU 63 2HB GLU 63 -3.661 -8.927 -1.249 481 HG2 GLU 63 1HG GLU 63 -3.119 -8.872 1.299 482 HG3 GLU 63 2HG GLU 63 -4.404 -10.075 1.398 483 H VAL 64 H VAL 64 -5.927 -6.582 -2.213 484 HA VAL 64 HA VAL 64 -3.509 -5.461 -3.320 485 HB VAL 64 HB VAL 64 -6.376 -5.334 -4.257 486 HG11 VAL 64 1HG1 VAL 64 -5.410 -4.504 -6.391 487 HG12 VAL 64 2HG1 VAL 64 -5.247 -3.367 -5.051 488 HG13 VAL 64 3HG1 VAL 64 -3.859 -4.323 -5.572 489 HG21 VAL 64 3HG2 VAL 64 -4.343 -6.711 -5.862 490 HG22 VAL 64 1HG2 VAL 64 -4.674 -7.454 -4.297 491 HG23 VAL 64 2HG2 VAL 64 -5.986 -7.200 -5.448 492 H ASP 65 H ASP 65 -6.643 -4.121 -2.273 493 HA ASP 65 HA ASP 65 -5.872 -1.418 -2.507 494 HB2 ASP 65 1HB ASP 65 -8.239 -2.543 -2.215 495 HB3 ASP 65 2HB ASP 65 -7.926 -2.263 -0.504 496 H GLU 66 H GLU 66 -4.129 -0.676 -1.458 497 HA GLU 66 HA GLU 66 -3.291 -1.616 1.090 498 HB2 GLU 66 1HB GLU 66 -1.620 0.158 0.985 499 HB3 GLU 66 2HB GLU 66 -1.717 -0.691 -0.551 500 HG2 GLU 66 1HG GLU 66 -3.085 1.122 -1.462 501 HG3 GLU 66 2HG GLU 66 -2.961 1.977 0.075 502 H ASP 67 H ASP 67 -5.214 1.105 -0.005 503 HA ASP 67 HA ASP 67 -5.393 2.163 2.712 504 HB2 ASP 67 1HB ASP 67 -6.210 4.142 1.792 505 HB3 ASP 67 2HB ASP 67 -5.089 3.581 0.554 506 H GLY 68 H GLY 68 -6.975 -0.061 0.794 507 HA2 GLY 68 1HA GLY 68 -9.012 -1.112 0.929 508 HA3 GLY 68 2HA GLY 68 -8.994 -0.623 2.617 509 H SER 69 H SER 69 -9.220 1.278 -0.381 510 HA SER 69 HA SER 69 -11.229 2.975 0.714 511 HG SER 69 HG SER 69 -8.690 3.331 -1.945 512 HB2 SER 69 1HB SER 69 -11.327 3.387 -2.013 513 HB3 SER 69 2HB SER 69 -10.257 4.227 -0.890 514 H GLY 70 H GLY 70 -11.326 -0.087 -0.731 515 HA2 GLY 70 1HA GLY 70 -13.368 -1.352 -0.667 516 HA3 GLY 70 2HA GLY 70 -14.251 0.133 -0.987 517 H THR 71 H THR 71 -11.818 0.499 -3.004 518 HA THR 71 HA THR 71 -12.735 -1.318 -5.096 519 HB THR 71 HB THR 71 -12.985 0.552 -6.719 520 HG1 THR 71 HG1 THR 71 -13.181 2.664 -5.873 521 HG21 THR 71 3HG2 THR 71 -14.871 -0.503 -5.234 522 HG22 THR 71 1HG2 THR 71 -15.210 0.916 -6.225 523 HG23 THR 71 2HG2 THR 71 -14.906 1.099 -4.497 524 H VAL 72 H VAL 72 -11.340 -1.306 -6.995 525 HA VAL 72 HA VAL 72 -8.568 -0.786 -6.237 526 HB VAL 72 HB VAL 72 -9.895 -2.563 -8.224 527 HG11 VAL 72 1HG1 VAL 72 -7.555 -2.933 -9.213 528 HG12 VAL 72 2HG1 VAL 72 -8.468 -1.522 -9.751 529 HG13 VAL 72 3HG1 VAL 72 -7.178 -1.339 -8.561 530 HG21 VAL 72 3HG2 VAL 72 -7.501 -3.610 -7.130 531 HG22 VAL 72 1HG2 VAL 72 -8.386 -2.818 -5.826 532 HG23 VAL 72 2HG2 VAL 72 -9.163 -4.082 -6.779 533 H ASP 73 H ASP 73 -7.520 0.946 -6.936 534 HA ASP 73 HA ASP 73 -8.643 2.491 -9.154 535 HB2 ASP 73 1HB ASP 73 -8.086 3.539 -6.894 536 HB3 ASP 73 2HB ASP 73 -6.392 3.336 -7.333 537 H PHE 74 H PHE 74 -7.027 3.573 -10.617 538 HA PHE 74 HA PHE 74 -5.636 1.731 -12.118 539 HD1 PHE 74 HD2 PHE 74 -4.435 1.612 -13.764 540 HD2 PHE 74 HD1 PHE 74 -3.720 5.793 -13.417 541 HE1 PHE 74 HE2 PHE 74 -2.639 1.440 -15.437 542 HE2 PHE 74 HE1 PHE 74 -1.923 5.629 -15.090 543 HZ PHE 74 HZ PHE 74 -1.380 3.450 -16.102 544 HB2 PHE 74 1HB PHE 74 -6.229 3.928 -12.984 545 HB3 PHE 74 2HB PHE 74 -5.114 4.699 -11.861 546 H ASP 75 H ASP 75 -4.569 3.537 -9.325 547 HA ASP 75 HA ASP 75 -1.795 3.105 -9.590 548 HB2 ASP 75 1HB ASP 75 -3.591 3.748 -7.268 549 HB3 ASP 75 2HB ASP 75 -1.880 3.415 -7.011 550 H GLU 76 H GLU 76 -4.102 1.461 -7.416 551 HA GLU 76 HA GLU 76 -2.317 -0.597 -6.690 552 HB2 GLU 76 1HB GLU 76 -5.337 -0.498 -6.608 553 HB3 GLU 76 2HB GLU 76 -4.368 -1.764 -5.868 554 HG2 GLU 76 1HG GLU 76 -3.728 -0.463 -4.143 555 HG3 GLU 76 2HG GLU 76 -3.678 1.002 -5.122 556 H TRP 77 H TRP 77 -4.908 -0.461 -9.108 557 HA TRP 77 HA TRP 77 -4.924 -3.073 -9.974 558 HD1 TRP 77 HD1 TRP 77 -8.013 -3.071 -11.263 559 HE1 TRP 77 HE1 TRP 77 -8.334 -4.620 -13.293 560 HE3 TRP 77 HE3 TRP 77 -3.710 -1.986 -13.801 561 HZ2 TRP 77 HZ2 TRP 77 -6.946 -5.294 -15.657 562 HZ3 TRP 77 HZ3 TRP 77 -3.282 -3.127 -15.939 563 HH2 TRP 77 HH2 TRP 77 -4.868 -4.747 -16.846 564 HB2 TRP 77 1HB TRP 77 -6.372 -1.093 -10.742 565 HB3 TRP 77 2HB TRP 77 -5.088 -0.764 -11.902 566 H LEU 78 H LEU 78 -2.569 -0.570 -10.621 567 HA LEU 78 HA LEU 78 -1.229 -1.930 -12.735 568 HG LEU 78 HG LEU 78 -1.977 0.591 -13.107 569 HB2 LEU 78 1HB LEU 78 -0.536 0.367 -10.943 570 HB3 LEU 78 2HB LEU 78 0.665 -0.317 -12.037 571 HD11 LEU 78 1HD1 LEU 78 0.038 2.616 -13.378 572 HD12 LEU 78 2HD1 LEU 78 -0.270 2.286 -11.674 573 HD13 LEU 78 3HD1 LEU 78 -1.600 2.744 -12.737 574 HD21 LEU 78 3HD2 LEU 78 -0.730 0.905 -15.127 575 HD22 LEU 78 1HD2 LEU 78 -0.351 -0.695 -14.489 576 HD23 LEU 78 2HD2 LEU 78 0.797 0.629 -14.287 577 H VAL 79 H VAL 79 -0.543 -1.542 -9.267 578 HA VAL 79 HA VAL 79 1.808 -3.078 -9.218 579 HB VAL 79 HB VAL 79 -0.190 -2.645 -6.993 580 HG11 VAL 79 1HG1 VAL 79 2.370 -2.909 -5.934 581 HG12 VAL 79 2HG1 VAL 79 1.056 -4.084 -5.841 582 HG13 VAL 79 3HG1 VAL 79 2.245 -4.190 -7.140 583 HG21 VAL 79 3HG2 VAL 79 2.292 -1.145 -6.877 584 HG22 VAL 79 1HG2 VAL 79 1.349 -0.769 -8.318 585 HG23 VAL 79 2HG2 VAL 79 0.627 -0.586 -6.720 586 H MET 80 H MET 80 -1.552 -3.973 -9.222 587 HA MET 80 HA MET 80 -1.483 -6.515 -8.135 588 HB2 MET 80 1HB MET 80 -3.584 -5.530 -8.724 589 HB3 MET 80 2HB MET 80 -3.122 -5.415 -10.417 590 HG2 MET 80 1HG MET 80 -3.243 -7.775 -10.692 591 HG3 MET 80 2HG MET 80 -3.435 -8.022 -8.958 592 HE1 MET 80 3HE MET 80 -5.184 -4.976 -10.520 593 HE2 MET 80 1HE MET 80 -5.093 -6.004 -11.951 594 HE3 MET 80 2HE MET 80 -6.658 -5.647 -11.222 595 H MET 81 H MET 81 -0.897 -5.563 -11.513 596 HA MET 81 HA MET 81 -0.335 -8.185 -12.426 597 HB2 MET 81 1HB MET 81 -0.836 -5.868 -13.682 598 HB3 MET 81 2HB MET 81 0.919 -5.874 -13.804 599 HG2 MET 81 1HG MET 81 0.218 -6.889 -15.767 600 HG3 MET 81 2HG MET 81 0.664 -8.241 -14.729 601 HE1 MET 81 3HE MET 81 -1.997 -5.822 -15.523 602 HE2 MET 81 1HE MET 81 -3.298 -6.796 -16.210 603 HE3 MET 81 2HE MET 81 -3.264 -6.465 -14.478 604 H ALA 82 H ALA 82 1.639 -5.620 -11.069 605 HA ALA 82 HA ALA 82 4.177 -6.566 -11.735 606 HB1 ALA 82 1HB ALA 82 4.007 -5.398 -9.063 607 HB2 ALA 82 2HB ALA 82 4.907 -4.862 -10.482 608 HB3 ALA 82 3HB ALA 82 3.202 -4.444 -10.309 609 H ARG 83 H ARG 83 1.911 -7.641 -9.317 610 HA ARG 83 HA ARG 83 3.742 -9.125 -7.732 611 HE ARG 83 HE ARG 83 -2.461 -9.948 -8.805 612 HB2 ARG 83 1HB ARG 83 1.921 -9.774 -6.504 613 HB3 ARG 83 2HB ARG 83 1.245 -8.357 -7.297 614 HG2 ARG 83 1HG ARG 83 0.503 -10.083 -9.110 615 HG3 ARG 83 2HG ARG 83 0.712 -11.244 -7.797 616 HD2 ARG 83 1HD ARG 83 -0.873 -10.085 -6.432 617 HD3 ARG 83 2HD ARG 83 -0.957 -8.746 -7.576 618 HH11 ARG 83 1HH1 ARG 83 -0.789 -12.107 -6.647 619 HH12 ARG 83 2HH1 ARG 83 -1.789 -13.470 -7.025 620 HH21 ARG 83 1HH2 ARG 83 -3.785 -11.735 -9.312 621 HH22 ARG 83 2HH2 ARG 83 -3.492 -13.258 -8.542 622 H CYS 84 H CYS 84 2.134 -9.729 -10.731 623 HA CYS 84 HA CYS 84 2.295 -12.570 -10.688 624 HG CYS 84 HG CYS 84 2.516 -13.598 -13.778 625 HB2 CYS 84 1HB CYS 84 0.821 -11.090 -12.182 626 HB3 CYS 84 2HB CYS 84 2.254 -10.879 -13.182 627 H MET 85 H MET 85 4.632 -10.166 -11.007 628 HA MET 85 HA MET 85 6.410 -11.475 -12.812 629 HB2 MET 85 1HB MET 85 6.746 -9.242 -10.821 630 HB3 MET 85 2HB MET 85 8.106 -9.873 -11.739 631 HG2 MET 85 1HG MET 85 6.854 -9.351 -13.825 632 HG3 MET 85 2HG MET 85 5.625 -8.572 -12.830 633 HE1 MET 85 3HE MET 85 8.899 -8.438 -14.574 634 HE2 MET 85 1HE MET 85 9.734 -6.997 -13.991 635 HE3 MET 85 2HE MET 85 9.708 -8.460 -13.006 636 H LYS 86 H LYS 86 6.161 -11.298 -9.282 637 HA LYS 86 HA LYS 86 8.457 -12.978 -8.865 638 HB2 LYS 86 1HB LYS 86 7.915 -12.828 -6.515 639 HB3 LYS 86 2HB LYS 86 7.763 -11.234 -7.243 640 HG2 LYS 86 1HG LYS 86 5.241 -12.564 -7.376 641 HG3 LYS 86 2HG LYS 86 5.860 -12.645 -5.725 642 HD2 LYS 86 1HD LYS 86 6.308 -10.162 -5.911 643 HD3 LYS 86 2HD LYS 86 5.371 -10.195 -7.407 644 HE2 LYS 86 1HE LYS 86 3.997 -9.520 -5.499 645 HE3 LYS 86 2HE LYS 86 3.437 -11.041 -6.193 646 HZ1 LYS 86 3HZ LYS 86 5.317 -11.077 -3.930 647 HZ2 LYS 86 1HZ LYS 86 4.176 -12.238 -4.393 648 HZ3 LYS 86 2HZ LYS 86 3.671 -10.808 -3.643 649 H ASP 87 H ASP 87 6.771 -14.284 -10.584 650 HA ASP 87 HA ASP 87 6.343 -16.744 -9.191 651 HB2 ASP 87 1HB ASP 87 4.254 -15.439 -8.661 652 HB3 ASP 87 2HB ASP 87 3.891 -15.441 -10.385 653 H ASP 88 H ASP 88 7.903 -17.297 -10.814 654 HA ASP 88 HA ASP 88 6.924 -17.356 -13.572 655 HB2 ASP 88 1HB ASP 88 9.212 -17.932 -14.190 656 HB3 ASP 88 2HB ASP 88 9.201 -16.494 -13.172 657 H SER 89 H SER 89 5.563 -19.047 -11.862 658 HA SER 89 HA SER 89 6.685 -21.705 -12.062 659 HG SER 89 HG SER 89 3.025 -21.296 -11.673 660 HB2 SER 89 1HB SER 89 4.690 -22.434 -10.885 661 HB3 SER 89 2HB SER 89 5.327 -20.991 -10.097 Start of MODEL 9 1 HA MET 1 HA MET 1 3.263 -1.773 1.019 2 H1 MET 1 H MET 1 5.379 -1.844 2.978 3 HB2 MET 1 1HB MET 1 5.560 0.186 0.848 4 HB3 MET 1 2HB MET 1 4.404 -0.126 -0.440 5 HG2 MET 1 1HG MET 1 2.645 0.860 0.738 6 HG3 MET 1 2HG MET 1 3.518 0.794 2.267 7 HE1 MET 1 3HE MET 1 5.156 2.238 3.081 8 HE2 MET 1 1HE MET 1 5.436 3.894 2.541 9 HE3 MET 1 2HE MET 1 3.848 3.420 3.145 10 H ASP 2 H ASP 2 4.294 -2.145 -1.256 11 HA ASP 2 HA ASP 2 6.406 -4.170 -0.921 12 HB2 ASP 2 1HB ASP 2 5.411 -4.969 -3.210 13 HB3 ASP 2 2HB ASP 2 4.592 -5.379 -1.705 14 H ASP 3 H ASP 3 8.181 -2.856 -1.250 15 HA ASP 3 HA ASP 3 8.372 -1.020 -3.425 16 HB2 ASP 3 1HB ASP 3 9.688 -0.688 -1.401 17 HB3 ASP 3 2HB ASP 3 10.517 -2.220 -1.661 18 H ILE 4 H ILE 4 8.986 -4.401 -3.031 19 HA ILE 4 HA ILE 4 10.775 -4.749 -5.205 20 HB ILE 4 HB ILE 4 10.647 -6.473 -3.546 21 HG12 ILE 4 1HG1 ILE 4 9.302 -7.925 -5.751 22 HG13 ILE 4 2HG1 ILE 4 10.703 -6.959 -6.202 23 HG21 ILE 4 1HG2 ILE 4 8.739 -7.048 -2.573 24 HG22 ILE 4 2HG2 ILE 4 7.867 -6.005 -3.695 25 HG23 ILE 4 3HG2 ILE 4 8.136 -7.701 -4.096 26 HD11 ILE 4 3HD1 ILE 4 10.633 -9.154 -4.146 27 HD12 ILE 4 1HD1 ILE 4 11.359 -9.234 -5.751 28 HD13 ILE 4 2HD1 ILE 4 12.038 -8.159 -4.528 29 H TYR 5 H TYR 5 7.287 -4.640 -4.932 30 HA TYR 5 HA TYR 5 6.881 -5.539 -7.656 31 HD1 TYR 5 HD1 TYR 5 6.082 -7.360 -7.729 32 HD2 TYR 5 HD2 TYR 5 4.053 -6.241 -4.160 33 HE1 TYR 5 HE1 TYR 5 5.883 -9.731 -7.106 34 HE2 TYR 5 HE2 TYR 5 3.849 -8.609 -3.527 35 HH TYR 5 HH TYR 5 4.994 -10.749 -4.008 36 HB2 TYR 5 1HB TYR 5 5.003 -4.583 -5.497 37 HB3 TYR 5 2HB TYR 5 4.460 -4.967 -7.126 38 H LYS 6 H LYS 6 6.602 -2.529 -5.813 39 HA LYS 6 HA LYS 6 5.615 -0.927 -7.906 40 HB2 LYS 6 1HB LYS 6 5.968 0.895 -6.500 41 HB3 LYS 6 2HB LYS 6 5.777 -0.437 -5.366 42 HG2 LYS 6 1HG LYS 6 7.619 0.511 -4.465 43 HG3 LYS 6 2HG LYS 6 8.420 -0.531 -5.643 44 HD2 LYS 6 1HD LYS 6 7.969 1.656 -7.159 45 HD3 LYS 6 2HD LYS 6 8.155 2.407 -5.572 46 HE2 LYS 6 1HE LYS 6 10.148 0.345 -6.237 47 HE3 LYS 6 2HE LYS 6 10.209 1.799 -7.232 48 HZ1 LYS 6 3HZ LYS 6 11.118 2.929 -5.573 49 HZ2 LYS 6 1HZ LYS 6 11.278 1.475 -4.721 50 HZ3 LYS 6 2HZ LYS 6 9.917 2.451 -4.481 51 H ALA 7 H ALA 7 8.817 -2.025 -7.108 52 HA ALA 7 HA ALA 7 10.231 -0.122 -8.696 53 HB1 ALA 7 1HB ALA 7 12.029 -2.042 -8.516 54 HB2 ALA 7 2HB ALA 7 11.623 -1.030 -7.129 55 HB3 ALA 7 3HB ALA 7 10.924 -2.642 -7.279 56 H ALA 8 H ALA 8 9.635 -3.610 -9.181 57 HA ALA 8 HA ALA 8 10.605 -3.825 -11.759 58 HB1 ALA 8 1HB ALA 8 8.166 -5.360 -10.984 59 HB2 ALA 8 2HB ALA 8 9.607 -5.897 -11.848 60 HB3 ALA 8 3HB ALA 8 9.674 -5.619 -10.108 61 H VAL 9 H VAL 9 7.269 -3.103 -10.746 62 HA VAL 9 HA VAL 9 6.175 -2.863 -13.316 63 HB VAL 9 HB VAL 9 4.787 -3.053 -11.304 64 HG11 VAL 9 1HG1 VAL 9 4.604 -1.425 -9.665 65 HG12 VAL 9 2HG1 VAL 9 6.332 -1.414 -10.023 66 HG13 VAL 9 3HG1 VAL 9 5.282 -0.165 -10.695 67 HG21 VAL 9 3HG2 VAL 9 3.187 -1.140 -11.868 68 HG22 VAL 9 1HG2 VAL 9 4.377 -0.666 -13.080 69 HG23 VAL 9 2HG2 VAL 9 3.611 -2.252 -13.170 70 H GLU 10 H GLU 10 7.802 -0.521 -11.244 71 HA GLU 10 HA GLU 10 7.227 1.759 -12.827 72 HB2 GLU 10 1HB GLU 10 9.061 1.114 -10.584 73 HB3 GLU 10 2HB GLU 10 9.484 2.503 -11.575 74 HG2 GLU 10 1HG GLU 10 6.704 2.613 -10.933 75 HG3 GLU 10 2HG GLU 10 7.641 2.375 -9.459 76 H GLN 11 H GLN 11 9.488 -0.812 -13.133 77 HA GLN 11 HA GLN 11 11.207 0.667 -14.959 78 HB2 GLN 11 1HB GLN 11 11.369 -2.261 -14.250 79 HB3 GLN 11 2HB GLN 11 12.630 -1.256 -14.950 80 HG2 GLN 11 1HG GLN 11 11.913 -0.004 -12.557 81 HG3 GLN 11 2HG GLN 11 11.986 -1.728 -12.195 82 HE21 GLN 11 2HE2 GLN 11 13.912 -2.638 -11.899 83 HE22 GLN 11 1HE2 GLN 11 15.433 -1.877 -12.201 84 H LEU 12 H LEU 12 8.273 -0.536 -15.297 85 HA LEU 12 HA LEU 12 8.457 -2.271 -17.528 86 HG LEU 12 HG LEU 12 6.867 -2.603 -15.142 87 HB2 LEU 12 1HB LEU 12 6.229 -0.546 -16.475 88 HB3 LEU 12 2HB LEU 12 6.040 -1.615 -17.864 89 HD11 LEU 12 1HD1 LEU 12 4.087 -2.520 -16.304 90 HD12 LEU 12 2HD1 LEU 12 4.677 -1.488 -15.002 91 HD13 LEU 12 3HD1 LEU 12 4.564 -3.232 -14.763 92 HD21 LEU 12 3HD2 LEU 12 7.413 -4.151 -16.857 93 HD22 LEU 12 1HD2 LEU 12 5.858 -3.917 -17.656 94 HD23 LEU 12 2HD2 LEU 12 5.933 -4.735 -16.095 95 H THR 13 H THR 13 7.317 -1.634 -19.655 96 HA THR 13 HA THR 13 8.733 0.690 -20.696 97 HB THR 13 HB THR 13 8.956 -1.350 -21.980 98 HG1 THR 13 HG1 THR 13 8.913 0.498 -23.248 99 HG21 THR 13 3HG2 THR 13 6.141 -1.593 -21.435 100 HG22 THR 13 1HG2 THR 13 7.265 -2.802 -22.053 101 HG23 THR 13 2HG2 THR 13 6.441 -1.713 -23.169 102 H GLU 14 H GLU 14 7.710 2.310 -21.960 103 HA GLU 14 HA GLU 14 5.394 3.395 -20.888 104 HB2 GLU 14 1HB GLU 14 6.582 3.837 -23.633 105 HB3 GLU 14 2HB GLU 14 5.361 4.862 -22.890 106 HG2 GLU 14 1HG GLU 14 7.922 4.371 -21.452 107 HG3 GLU 14 2HG GLU 14 7.885 5.510 -22.796 108 H GLU 15 H GLU 15 5.806 1.286 -23.686 109 HA GLU 15 HA GLU 15 3.225 1.449 -24.737 110 HB2 GLU 15 1HB GLU 15 5.218 -0.818 -24.741 111 HB3 GLU 15 2HB GLU 15 3.712 -0.858 -25.647 112 HG2 GLU 15 1HG GLU 15 5.657 1.385 -26.006 113 HG3 GLU 15 2HG GLU 15 5.871 -0.149 -26.847 114 H GLN 16 H GLN 16 4.552 -0.730 -22.272 115 HA GLN 16 HA GLN 16 2.243 -2.280 -21.893 116 HB2 GLN 16 1HB GLN 16 4.611 -1.653 -20.150 117 HB3 GLN 16 2HB GLN 16 3.286 -2.648 -19.558 118 HG2 GLN 16 1HG GLN 16 4.666 -3.303 -22.129 119 HG3 GLN 16 2HG GLN 16 5.347 -3.794 -20.579 120 HE21 GLN 16 2HE2 GLN 16 4.776 -5.719 -19.888 121 HE22 GLN 16 1HE2 GLN 16 3.345 -6.580 -20.329 122 H LYS 17 H LYS 17 3.393 0.619 -20.194 123 HA LYS 17 HA LYS 17 1.279 0.781 -18.347 124 HB2 LYS 17 1HB LYS 17 3.529 2.406 -19.153 125 HB3 LYS 17 2HB LYS 17 2.111 3.409 -18.879 126 HG2 LYS 17 1HG LYS 17 3.149 3.356 -16.809 127 HG3 LYS 17 2HG LYS 17 1.887 2.130 -16.663 128 HD2 LYS 17 1HD LYS 17 3.423 0.367 -16.869 129 HD3 LYS 17 2HD LYS 17 4.681 1.425 -17.512 130 HE2 LYS 17 1HE LYS 17 3.671 2.088 -14.819 131 HE3 LYS 17 2HE LYS 17 4.589 0.589 -14.954 132 HZ1 LYS 17 3HZ LYS 17 6.123 2.287 -16.343 133 HZ2 LYS 17 1HZ LYS 17 6.337 1.944 -14.700 134 HZ3 LYS 17 2HZ LYS 17 5.488 3.329 -15.171 135 H ASN 18 H ASN 18 1.633 1.973 -21.635 136 HA ASN 18 HA ASN 18 -0.640 3.646 -21.666 137 HB2 ASN 18 1HB ASN 18 1.226 2.521 -23.641 138 HB3 ASN 18 2HB ASN 18 -0.392 2.820 -24.267 139 HD21 ASN 18 2HD2 ASN 18 2.447 4.122 -24.341 140 HD22 ASN 18 1HD2 ASN 18 2.082 5.806 -24.203 141 H GLU 19 H GLU 19 -0.178 0.225 -22.410 142 HA GLU 19 HA GLU 19 -2.794 -0.233 -23.398 143 HB2 GLU 19 1HB GLU 19 -0.579 -1.986 -22.402 144 HB3 GLU 19 2HB GLU 19 -2.171 -2.676 -22.688 145 HG2 GLU 19 1HG GLU 19 -0.972 -1.030 -24.842 146 HG3 GLU 19 2HG GLU 19 -0.296 -2.632 -24.549 147 H PHE 20 H PHE 20 -1.329 -0.517 -20.196 148 HA PHE 20 HA PHE 20 -3.554 -1.694 -18.915 149 HD1 PHE 20 HD1 PHE 20 -2.113 -3.186 -19.164 150 HD2 PHE 20 HD2 PHE 20 0.628 -0.812 -16.934 151 HE1 PHE 20 HE1 PHE 20 -0.339 -4.837 -19.592 152 HE2 PHE 20 HE2 PHE 20 2.405 -2.459 -17.360 153 HZ PHE 20 HZ PHE 20 1.923 -4.474 -18.691 154 HB2 PHE 20 1HB PHE 20 -1.478 0.082 -17.625 155 HB3 PHE 20 2HB PHE 20 -2.450 -1.163 -16.848 156 H LYS 21 H LYS 21 -2.561 1.664 -19.382 157 HA LYS 21 HA LYS 21 -4.596 2.814 -17.779 158 HB2 LYS 21 1HB LYS 21 -2.407 3.869 -18.679 159 HB3 LYS 21 2HB LYS 21 -3.341 4.203 -20.131 160 HG2 LYS 21 1HG LYS 21 -4.984 5.424 -18.715 161 HG3 LYS 21 2HG LYS 21 -3.891 5.202 -17.346 162 HD2 LYS 21 1HD LYS 21 -2.118 6.290 -18.870 163 HD3 LYS 21 2HD LYS 21 -3.494 6.830 -19.834 164 HE2 LYS 21 1HE LYS 21 -3.081 7.382 -16.896 165 HE3 LYS 21 2HE LYS 21 -2.778 8.524 -18.204 166 HZ1 LYS 21 3HZ LYS 21 -5.393 7.481 -18.423 167 HZ2 LYS 21 1HZ LYS 21 -4.905 9.087 -18.208 168 HZ3 LYS 21 2HZ LYS 21 -5.163 8.094 -16.863 169 H ALA 22 H ALA 22 -4.449 1.773 -21.112 170 HA ALA 22 HA ALA 22 -6.902 3.065 -21.879 171 HB1 ALA 22 1HB ALA 22 -4.784 2.089 -23.275 172 HB2 ALA 22 2HB ALA 22 -5.983 0.819 -23.525 173 HB3 ALA 22 3HB ALA 22 -6.354 2.484 -23.975 174 H ALA 23 H ALA 23 -5.919 -0.303 -21.264 175 HA ALA 23 HA ALA 23 -8.473 -1.434 -21.623 176 HB1 ALA 23 1HB ALA 23 -7.321 -3.317 -21.404 177 HB2 ALA 23 2HB ALA 23 -5.892 -2.360 -21.010 178 HB3 ALA 23 3HB ALA 23 -6.949 -2.938 -19.722 179 H PHE 24 H PHE 24 -7.141 0.404 -19.062 180 HA PHE 24 HA PHE 24 -8.763 -0.627 -16.950 181 HD1 PHE 24 HD2 PHE 24 -9.291 3.060 -15.922 182 HD2 PHE 24 HD1 PHE 24 -6.945 -0.106 -14.314 183 HE1 PHE 24 HE2 PHE 24 -10.119 3.596 -13.668 184 HE2 PHE 24 HE1 PHE 24 -7.769 0.424 -12.057 185 HZ PHE 24 HZ PHE 24 -9.358 2.278 -11.732 186 HB2 PHE 24 1HB PHE 24 -6.635 0.565 -16.540 187 HB3 PHE 24 2HB PHE 24 -7.360 2.046 -17.158 188 H ASP 25 H ASP 25 -9.127 1.865 -19.369 189 HA ASP 25 HA ASP 25 -11.292 3.253 -18.215 190 HB2 ASP 25 1HB ASP 25 -9.917 4.103 -20.107 191 HB3 ASP 25 2HB ASP 25 -10.673 2.907 -21.156 192 H ILE 26 H ILE 26 -11.125 0.412 -20.291 193 HA ILE 26 HA ILE 26 -13.885 0.210 -20.846 194 HB ILE 26 HB ILE 26 -11.742 -1.915 -20.786 195 HG12 ILE 26 1HG1 ILE 26 -12.660 -1.468 -23.391 196 HG13 ILE 26 2HG1 ILE 26 -12.530 0.136 -22.679 197 HG21 ILE 26 1HG2 ILE 26 -13.726 -3.125 -20.520 198 HG22 ILE 26 2HG2 ILE 26 -14.629 -2.051 -21.587 199 HG23 ILE 26 3HG2 ILE 26 -13.428 -3.154 -22.258 200 HD11 ILE 26 3HD1 ILE 26 -10.239 -0.095 -22.301 201 HD12 ILE 26 1HD1 ILE 26 -10.292 -1.846 -22.509 202 HD13 ILE 26 2HD1 ILE 26 -10.502 -0.785 -23.903 203 H PHE 27 H PHE 27 -11.952 -0.711 -18.106 204 HA PHE 27 HA PHE 27 -13.926 -2.466 -16.969 205 HD1 PHE 27 HD1 PHE 27 -11.206 -2.882 -18.340 206 HD2 PHE 27 HD2 PHE 27 -11.856 -4.248 -14.362 207 HE1 PHE 27 HE1 PHE 27 -10.363 -5.106 -18.970 208 HE2 PHE 27 HE2 PHE 27 -11.013 -6.474 -14.985 209 HZ PHE 27 HZ PHE 27 -10.265 -6.905 -17.292 210 HB2 PHE 27 1HB PHE 27 -11.299 -1.348 -16.062 211 HB3 PHE 27 2HB PHE 27 -12.378 -2.086 -14.883 212 H VAL 28 H VAL 28 -12.911 0.882 -16.512 213 HA VAL 28 HA VAL 28 -14.799 1.307 -14.359 214 HB VAL 28 HB VAL 28 -12.681 2.492 -14.274 215 HG11 VAL 28 1HG1 VAL 28 -11.864 2.932 -16.343 216 HG12 VAL 28 2HG1 VAL 28 -13.455 3.290 -17.017 217 HG13 VAL 28 3HG1 VAL 28 -12.619 4.496 -16.039 218 HG21 VAL 28 3HG2 VAL 28 -13.495 4.596 -13.642 219 HG22 VAL 28 1HG2 VAL 28 -14.769 4.566 -14.862 220 HG23 VAL 28 2HG2 VAL 28 -14.877 3.517 -13.449 221 H LEU 29 H LEU 29 -15.071 1.094 -17.638 222 HA LEU 29 HA LEU 29 -16.564 3.232 -18.505 223 HG LEU 29 HG LEU 29 -15.077 2.080 -20.491 224 HB2 LEU 29 1HB LEU 29 -16.330 0.400 -19.235 225 HB3 LEU 29 2HB LEU 29 -17.845 1.159 -19.719 226 HD11 LEU 29 1HD1 LEU 29 -15.908 -0.047 -21.536 227 HD12 LEU 29 2HD1 LEU 29 -15.551 1.259 -22.665 228 HD13 LEU 29 3HD1 LEU 29 -17.223 0.896 -22.237 229 HD21 LEU 29 3HD2 LEU 29 -16.491 3.485 -22.115 230 HD22 LEU 29 1HD2 LEU 29 -16.363 4.022 -20.440 231 HD23 LEU 29 2HD2 LEU 29 -17.817 3.190 -20.990 232 H GLY 30 H GLY 30 -17.466 0.736 -16.274 233 HA2 GLY 30 1HA GLY 30 -20.303 1.324 -16.447 234 HA3 GLY 30 2HA GLY 30 -19.538 0.174 -15.360 235 H ALA 31 H ALA 31 -17.596 2.135 -14.376 236 HA ALA 31 HA ALA 31 -19.206 3.237 -12.277 237 HB1 ALA 31 1HB ALA 31 -16.518 4.270 -12.317 238 HB2 ALA 31 2HB ALA 31 -17.294 3.204 -11.146 239 HB3 ALA 31 3HB ALA 31 -16.524 2.526 -12.580 240 H GLU 32 H GLU 32 -19.535 5.410 -11.768 241 HA GLU 32 HA GLU 32 -19.263 7.238 -14.056 242 HB2 GLU 32 1HB GLU 32 -21.547 6.604 -12.892 243 HB3 GLU 32 2HB GLU 32 -21.049 7.832 -11.737 244 HG2 GLU 32 1HG GLU 32 -22.508 8.752 -13.452 245 HG3 GLU 32 2HG GLU 32 -20.904 9.479 -13.510 246 H ASP 33 H ASP 33 -17.634 6.512 -11.381 247 HA ASP 33 HA ASP 33 -17.068 9.306 -10.651 248 HB2 ASP 33 1HB ASP 33 -16.665 6.721 -9.147 249 HB3 ASP 33 2HB ASP 33 -15.938 8.241 -8.635 250 H GLY 34 H GLY 34 -15.653 6.306 -11.783 251 HA2 GLY 34 1HA GLY 34 -13.772 6.533 -13.339 252 HA3 GLY 34 2HA GLY 34 -13.137 7.776 -12.272 253 H CYS 35 H CYS 35 -14.460 4.578 -11.487 254 HA CYS 35 HA CYS 35 -11.814 3.601 -10.788 255 HG CYS 35 HG CYS 35 -15.419 3.150 -8.672 256 HB2 CYS 35 1HB CYS 35 -12.668 2.913 -8.493 257 HB3 CYS 35 2HB CYS 35 -12.333 4.626 -8.714 258 H ILE 36 H ILE 36 -12.101 1.293 -9.774 259 HA ILE 36 HA ILE 36 -14.180 -0.097 -11.336 260 HB ILE 36 HB ILE 36 -11.420 -1.109 -10.638 261 HG12 ILE 36 1HG1 ILE 36 -12.564 -0.399 -13.346 262 HG13 ILE 36 2HG1 ILE 36 -11.526 0.670 -12.408 263 HG21 ILE 36 1HG2 ILE 36 -12.219 -2.859 -12.428 264 HG22 ILE 36 2HG2 ILE 36 -12.640 -3.045 -10.726 265 HG23 ILE 36 3HG2 ILE 36 -13.818 -2.382 -11.859 266 HD11 ILE 36 3HD1 ILE 36 -10.151 -0.389 -13.998 267 HD12 ILE 36 1HD1 ILE 36 -9.802 -1.160 -12.451 268 HD13 ILE 36 2HD1 ILE 36 -10.826 -1.977 -13.633 269 H SER 37 H SER 37 -15.711 -0.803 -10.005 270 HA SER 37 HA SER 37 -15.069 -1.525 -7.261 271 HG SER 37 HG SER 37 -18.096 -0.269 -9.242 272 HB2 SER 37 1HB SER 37 -17.603 -1.870 -7.140 273 HB3 SER 37 2HB SER 37 -17.042 -0.225 -7.437 274 H THR 38 H THR 38 -15.442 -3.549 -6.348 275 HA THR 38 HA THR 38 -14.709 -5.781 -7.789 276 HB THR 38 HB THR 38 -14.557 -5.927 -5.434 277 HG1 THR 38 HG1 THR 38 -16.790 -7.592 -5.959 278 HG21 THR 38 3HG2 THR 38 -16.018 -4.784 -4.192 279 HG22 THR 38 1HG2 THR 38 -17.151 -6.114 -4.424 280 HG23 THR 38 2HG2 THR 38 -17.186 -4.726 -5.511 281 H LYS 39 H LYS 39 -17.870 -4.366 -7.400 282 HA LYS 39 HA LYS 39 -19.444 -6.556 -8.194 283 HB2 LYS 39 1HB LYS 39 -20.038 -4.130 -7.255 284 HB3 LYS 39 2HB LYS 39 -20.280 -3.804 -8.966 285 HG2 LYS 39 1HG LYS 39 -21.774 -5.878 -8.964 286 HG3 LYS 39 2HG LYS 39 -21.736 -5.742 -7.205 287 HD2 LYS 39 1HD LYS 39 -22.698 -3.545 -7.295 288 HD3 LYS 39 2HD LYS 39 -22.566 -3.510 -9.055 289 HE2 LYS 39 1HE LYS 39 -24.079 -5.560 -9.042 290 HE3 LYS 39 2HE LYS 39 -24.390 -5.182 -7.349 291 HZ1 LYS 39 3HZ LYS 39 -26.029 -3.936 -8.194 292 HZ2 LYS 39 1HZ LYS 39 -25.341 -3.862 -9.738 293 HZ3 LYS 39 2HZ LYS 39 -24.810 -2.811 -8.524 294 H GLU 40 H GLU 40 -18.091 -3.864 -10.086 295 HA GLU 40 HA GLU 40 -19.035 -4.948 -12.574 296 HB2 GLU 40 1HB GLU 40 -16.941 -2.807 -12.222 297 HB3 GLU 40 2HB GLU 40 -17.981 -3.078 -13.613 298 HG2 GLU 40 1HG GLU 40 -18.962 -2.241 -10.895 299 HG3 GLU 40 2HG GLU 40 -18.633 -1.134 -12.227 300 H LEU 41 H LEU 41 -16.019 -4.943 -10.776 301 HA LEU 41 HA LEU 41 -14.335 -5.919 -12.804 302 HG LEU 41 HG LEU 41 -12.561 -7.799 -10.598 303 HB2 LEU 41 1HB LEU 41 -13.486 -4.948 -10.743 304 HB3 LEU 41 2HB LEU 41 -14.171 -6.281 -9.815 305 HD11 LEU 41 1HD1 LEU 41 -12.251 -7.658 -12.827 306 HD12 LEU 41 2HD1 LEU 41 -10.841 -6.713 -12.350 307 HD13 LEU 41 3HD1 LEU 41 -12.325 -5.896 -12.839 308 HD21 LEU 41 3HD2 LEU 41 -10.374 -6.572 -10.232 309 HD22 LEU 41 1HD2 LEU 41 -11.572 -6.439 -8.944 310 HD23 LEU 41 2HD2 LEU 41 -11.338 -5.102 -10.070 311 H GLY 42 H GLY 42 -16.575 -7.512 -10.641 312 HA2 GLY 42 1HA GLY 42 -15.628 -10.159 -10.997 313 HA3 GLY 42 2HA GLY 42 -17.235 -9.704 -10.450 314 H LYS 43 H LYS 43 -18.003 -8.218 -12.748 315 HA LYS 43 HA LYS 43 -19.041 -10.280 -14.354 316 HB2 LYS 43 1HB LYS 43 -18.957 -7.300 -14.535 317 HB3 LYS 43 2HB LYS 43 -19.453 -8.214 -15.953 318 HG2 LYS 43 1HG LYS 43 -21.454 -7.732 -14.892 319 HG3 LYS 43 2HG LYS 43 -21.105 -9.381 -14.368 320 HD2 LYS 43 1HD LYS 43 -20.241 -8.564 -12.259 321 HD3 LYS 43 2HD LYS 43 -20.452 -6.893 -12.788 322 HE2 LYS 43 1HE LYS 43 -22.736 -6.968 -12.558 323 HE3 LYS 43 2HE LYS 43 -22.812 -8.711 -12.808 324 HZ1 LYS 43 3HZ LYS 43 -22.723 -9.049 -10.633 325 HZ2 LYS 43 1HZ LYS 43 -22.882 -7.381 -10.401 326 HZ3 LYS 43 2HZ LYS 43 -21.345 -8.084 -10.460 327 H VAL 44 H VAL 44 -16.335 -8.049 -14.848 328 HA VAL 44 HA VAL 44 -15.712 -8.794 -17.482 329 HB VAL 44 HB VAL 44 -13.777 -7.843 -15.366 330 HG11 VAL 44 1HG1 VAL 44 -13.024 -6.803 -17.803 331 HG12 VAL 44 2HG1 VAL 44 -12.284 -8.184 -16.992 332 HG13 VAL 44 3HG1 VAL 44 -13.539 -8.441 -18.204 333 HG21 VAL 44 3HG2 VAL 44 -15.415 -6.193 -15.373 334 HG22 VAL 44 1HG2 VAL 44 -14.249 -5.599 -16.555 335 HG23 VAL 44 2HG2 VAL 44 -15.735 -6.378 -17.098 336 H MET 45 H MET 45 -14.870 -10.213 -14.388 337 HA MET 45 HA MET 45 -12.766 -11.862 -15.122 338 HB2 MET 45 1HB MET 45 -14.986 -12.464 -13.159 339 HB3 MET 45 2HB MET 45 -13.441 -13.299 -13.237 340 HG2 MET 45 1HG MET 45 -13.191 -10.404 -12.998 341 HG3 MET 45 2HG MET 45 -14.024 -11.160 -11.643 342 HE1 MET 45 3HE MET 45 -9.886 -12.600 -13.056 343 HE2 MET 45 1HE MET 45 -11.373 -13.423 -13.529 344 HE3 MET 45 2HE MET 45 -11.075 -11.767 -14.060 345 H ARG 46 H ARG 46 -16.215 -12.259 -15.632 346 HA ARG 46 HA ARG 46 -16.235 -14.966 -16.362 347 HE ARG 46 HE ARG 46 -20.958 -14.328 -16.422 348 HB2 ARG 46 1HB ARG 46 -18.020 -12.676 -17.192 349 HB3 ARG 46 2HB ARG 46 -18.336 -14.354 -17.613 350 HG2 ARG 46 1HG ARG 46 -18.972 -14.911 -15.508 351 HG3 ARG 46 2HG ARG 46 -17.894 -13.737 -14.752 352 HD2 ARG 46 1HD ARG 46 -19.877 -12.697 -14.354 353 HD3 ARG 46 2HD ARG 46 -19.538 -12.033 -15.952 354 HH11 ARG 46 1HH1 ARG 46 -21.483 -11.398 -14.617 355 HH12 ARG 46 2HH1 ARG 46 -23.203 -11.423 -14.825 356 HH21 ARG 46 1HH2 ARG 46 -23.221 -14.372 -16.703 357 HH22 ARG 46 2HH2 ARG 46 -24.190 -13.116 -16.011 358 H MET 47 H MET 47 -15.763 -12.036 -18.299 359 HA MET 47 HA MET 47 -15.652 -13.303 -20.810 360 HB2 MET 47 1HB MET 47 -14.156 -10.791 -20.077 361 HB3 MET 47 2HB MET 47 -14.788 -11.253 -21.652 362 HG2 MET 47 1HG MET 47 -17.085 -11.095 -20.681 363 HG3 MET 47 2HG MET 47 -16.354 -10.422 -19.226 364 HE1 MET 47 3HE MET 47 -18.163 -7.450 -21.192 365 HE2 MET 47 1HE MET 47 -18.570 -9.111 -21.624 366 HE3 MET 47 2HE MET 47 -18.363 -8.666 -19.930 367 H LEU 48 H LEU 48 -13.260 -12.807 -18.309 368 HA LEU 48 HA LEU 48 -10.986 -13.449 -19.896 369 HG LEU 48 HG LEU 48 -9.247 -12.061 -18.606 370 HB2 LEU 48 1HB LEU 48 -11.557 -13.137 -16.997 371 HB3 LEU 48 2HB LEU 48 -10.094 -14.003 -17.462 372 HD11 LEU 48 1HD1 LEU 48 -11.831 -10.706 -17.844 373 HD12 LEU 48 2HD1 LEU 48 -11.371 -11.210 -19.470 374 HD13 LEU 48 3HD1 LEU 48 -10.454 -9.950 -18.646 375 HD21 LEU 48 3HD2 LEU 48 -9.258 -12.328 -15.991 376 HD22 LEU 48 1HD2 LEU 48 -10.269 -10.884 -16.069 377 HD23 LEU 48 2HD2 LEU 48 -8.643 -10.859 -16.752 378 H GLY 49 H GLY 49 -13.400 -15.317 -18.273 379 HA2 GLY 49 1HA GLY 49 -13.657 -17.623 -19.062 380 HA3 GLY 49 2HA GLY 49 -11.907 -17.767 -18.980 381 H GLN 50 H GLN 50 -13.239 -16.005 -16.404 382 HA GLN 50 HA GLN 50 -13.350 -18.396 -14.699 383 HB2 GLN 50 1HB GLN 50 -11.760 -15.880 -14.249 384 HB3 GLN 50 2HB GLN 50 -12.234 -16.921 -12.914 385 HG2 GLN 50 1HG GLN 50 -10.885 -18.664 -13.619 386 HG3 GLN 50 2HG GLN 50 -10.791 -18.053 -15.270 387 HE21 GLN 50 2HE2 GLN 50 -9.912 -15.624 -15.180 388 HE22 GLN 50 1HE2 GLN 50 -8.409 -15.479 -14.341 389 H ASN 51 H ASN 51 -14.619 -18.181 -12.791 390 HA ASN 51 HA ASN 51 -16.327 -15.805 -12.640 391 HB2 ASN 51 1HB ASN 51 -18.266 -17.473 -12.193 392 HB3 ASN 51 2HB ASN 51 -17.775 -17.175 -13.858 393 HD21 ASN 51 2HD2 ASN 51 -16.845 -18.792 -15.035 394 HD22 ASN 51 1HD2 ASN 51 -16.737 -20.426 -14.483 395 HA PRO 52 HA PRO 52 -14.731 -17.303 -8.517 396 HB2 PRO 52 1HB PRO 52 -13.727 -14.900 -7.748 397 HB3 PRO 52 2HB PRO 52 -12.798 -16.073 -8.689 398 HG2 PRO 52 1HG PRO 52 -14.274 -13.640 -9.619 399 HG3 PRO 52 2HG PRO 52 -12.672 -14.229 -10.100 400 HD2 PRO 52 1HD PRO 52 -14.883 -14.622 -11.613 401 HD3 PRO 52 2HD PRO 52 -13.543 -15.786 -11.559 402 H THR 53 H THR 53 -15.615 -16.855 -6.482 403 HA THR 53 HA THR 53 -18.249 -15.973 -6.395 404 HB THR 53 HB THR 53 -17.544 -15.625 -3.815 405 HG1 THR 53 HG1 THR 53 -15.855 -17.243 -3.451 406 HG21 THR 53 3HG2 THR 53 -17.598 -18.443 -4.773 407 HG22 THR 53 1HG2 THR 53 -18.990 -17.418 -5.119 408 HG23 THR 53 2HG2 THR 53 -18.484 -17.684 -3.451 409 HA PRO 54 HA PRO 54 -18.182 -11.597 -6.067 410 HB2 PRO 54 1HB PRO 54 -20.134 -11.126 -4.240 411 HB3 PRO 54 2HB PRO 54 -20.471 -11.674 -5.886 412 HG2 PRO 54 1HG PRO 54 -20.349 -13.260 -3.350 413 HG3 PRO 54 2HG PRO 54 -21.523 -13.357 -4.675 414 HD2 PRO 54 1HD PRO 54 -19.479 -15.113 -4.407 415 HD3 PRO 54 2HD PRO 54 -20.122 -14.630 -5.990 416 H GLU 55 H GLU 55 -18.479 -13.098 -2.841 417 HA GLU 55 HA GLU 55 -17.356 -10.936 -1.425 418 HB2 GLU 55 1HB GLU 55 -17.625 -13.863 -0.743 419 HB3 GLU 55 2HB GLU 55 -16.988 -12.673 0.383 420 HG2 GLU 55 1HG GLU 55 -19.758 -12.874 -0.743 421 HG3 GLU 55 2HG GLU 55 -19.249 -12.940 0.943 422 H GLU 56 H GLU 56 -15.943 -13.732 -2.998 423 HA GLU 56 HA GLU 56 -13.361 -13.529 -1.864 424 HB2 GLU 56 1HB GLU 56 -14.321 -15.514 -3.104 425 HB3 GLU 56 2HB GLU 56 -14.026 -14.629 -4.594 426 HG2 GLU 56 1HG GLU 56 -12.095 -15.774 -4.552 427 HG3 GLU 56 2HG GLU 56 -11.593 -14.453 -3.498 428 H LEU 57 H LEU 57 -14.920 -11.952 -4.565 429 HA LEU 57 HA LEU 57 -12.644 -10.948 -5.866 430 HG LEU 57 HG LEU 57 -14.800 -12.071 -7.067 431 HB2 LEU 57 1HB LEU 57 -15.469 -9.932 -5.686 432 HB3 LEU 57 2HB LEU 57 -14.239 -9.166 -6.690 433 HD11 LEU 57 1HD1 LEU 57 -16.801 -11.824 -8.057 434 HD12 LEU 57 2HD1 LEU 57 -16.400 -10.238 -8.715 435 HD13 LEU 57 3HD1 LEU 57 -16.918 -10.391 -7.036 436 HD21 LEU 57 3HD2 LEU 57 -14.458 -10.201 -9.314 437 HD22 LEU 57 1HD2 LEU 57 -13.736 -11.785 -9.030 438 HD23 LEU 57 2HD2 LEU 57 -13.071 -10.358 -8.235 439 H GLN 58 H GLN 58 -14.798 -9.333 -3.525 440 HA GLN 58 HA GLN 58 -13.214 -7.013 -3.274 441 HB2 GLN 58 1HB GLN 58 -15.486 -6.867 -2.606 442 HB3 GLN 58 2HB GLN 58 -15.332 -8.240 -1.518 443 HG2 GLN 58 1HG GLN 58 -15.453 -6.200 -0.251 444 HG3 GLN 58 2HG GLN 58 -13.851 -6.915 -0.079 445 HE21 GLN 58 2HE2 GLN 58 -12.300 -5.473 -0.094 446 HE22 GLN 58 1HE2 GLN 58 -12.274 -4.004 -1.003 447 H GLU 59 H GLU 59 -12.989 -10.158 -1.862 448 HA GLU 59 HA GLU 59 -11.564 -9.590 0.475 449 HB2 GLU 59 1HB GLU 59 -12.132 -11.929 -1.157 450 HB3 GLU 59 2HB GLU 59 -10.523 -11.998 -0.451 451 HG2 GLU 59 1HG GLU 59 -12.997 -11.435 1.156 452 HG3 GLU 59 2HG GLU 59 -12.360 -13.057 0.892 453 H MET 60 H MET 60 -10.327 -10.446 -2.756 454 HA MET 60 HA MET 60 -7.602 -10.063 -2.064 455 HB2 MET 60 1HB MET 60 -8.850 -11.246 -4.144 456 HB3 MET 60 2HB MET 60 -8.405 -9.719 -4.894 457 HG2 MET 60 1HG MET 60 -6.257 -11.006 -3.373 458 HG3 MET 60 2HG MET 60 -6.822 -11.913 -4.775 459 HE1 MET 60 3HE MET 60 -5.642 -11.041 -7.470 460 HE2 MET 60 1HE MET 60 -7.308 -10.918 -6.905 461 HE3 MET 60 2HE MET 60 -6.523 -9.522 -7.645 462 H ILE 61 H ILE 61 -10.092 -7.980 -3.403 463 HA ILE 61 HA ILE 61 -8.415 -5.852 -4.197 464 HB ILE 61 HB ILE 61 -11.325 -5.861 -3.398 465 HG12 ILE 61 1HG1 ILE 61 -9.960 -5.770 -6.098 466 HG13 ILE 61 2HG1 ILE 61 -10.789 -7.162 -5.410 467 HG21 ILE 61 1HG2 ILE 61 -9.675 -3.657 -4.625 468 HG22 ILE 61 2HG2 ILE 61 -11.435 -3.654 -4.521 469 HG23 ILE 61 3HG2 ILE 61 -10.465 -3.640 -3.048 470 HD11 ILE 61 3HD1 ILE 61 -11.850 -4.974 -6.916 471 HD12 ILE 61 1HD1 ILE 61 -12.633 -6.470 -6.408 472 HD13 ILE 61 2HD1 ILE 61 -12.636 -5.066 -5.340 473 H ASP 62 H ASP 62 -9.560 -6.888 -1.116 474 HA ASP 62 HA ASP 62 -9.378 -4.434 0.279 475 HB2 ASP 62 1HB ASP 62 -10.585 -6.403 1.153 476 HB3 ASP 62 2HB ASP 62 -9.052 -7.248 1.342 477 H GLU 63 H GLU 63 -7.098 -7.155 -0.012 478 HA GLU 63 HA GLU 63 -5.028 -5.849 1.441 479 HB2 GLU 63 1HB GLU 63 -5.390 -8.385 0.026 480 HB3 GLU 63 2HB GLU 63 -3.759 -7.743 -0.108 481 HG2 GLU 63 1HG GLU 63 -3.964 -9.262 1.777 482 HG3 GLU 63 2HG GLU 63 -3.584 -7.625 2.311 483 H VAL 64 H VAL 64 -6.093 -5.748 -1.833 484 HA VAL 64 HA VAL 64 -3.609 -4.758 -2.912 485 HB VAL 64 HB VAL 64 -6.377 -4.834 -4.120 486 HG11 VAL 64 1HG1 VAL 64 -3.987 -3.494 -4.968 487 HG12 VAL 64 2HG1 VAL 64 -4.408 -4.764 -6.119 488 HG13 VAL 64 3HG1 VAL 64 -5.583 -3.511 -5.717 489 HG21 VAL 64 3HG2 VAL 64 -4.225 -6.562 -5.147 490 HG22 VAL 64 1HG2 VAL 64 -4.818 -6.959 -3.534 491 HG23 VAL 64 2HG2 VAL 64 -5.936 -6.906 -4.897 492 H ASP 65 H ASP 65 -6.828 -3.372 -2.279 493 HA ASP 65 HA ASP 65 -6.162 -0.733 -3.003 494 HB2 ASP 65 1HB ASP 65 -8.485 -1.901 -2.513 495 HB3 ASP 65 2HB ASP 65 -8.219 -1.249 -0.899 496 H GLU 66 H GLU 66 -4.407 0.184 -2.092 497 HA GLU 66 HA GLU 66 -3.555 -0.199 0.562 498 HB2 GLU 66 1HB GLU 66 -2.973 2.086 -1.330 499 HB3 GLU 66 2HB GLU 66 -2.101 1.764 0.162 500 HG2 GLU 66 1HG GLU 66 -2.287 -0.268 -2.033 501 HG3 GLU 66 2HG GLU 66 -1.045 0.983 -2.015 502 H ASP 67 H ASP 67 -5.865 1.968 -0.859 503 HA ASP 67 HA ASP 67 -6.044 3.562 1.582 504 HB2 ASP 67 1HB ASP 67 -7.789 4.828 0.207 505 HB3 ASP 67 2HB ASP 67 -6.120 4.919 -0.350 506 H GLY 68 H GLY 68 -7.349 0.755 0.345 507 HA2 GLY 68 1HA GLY 68 -9.187 -0.519 0.871 508 HA3 GLY 68 2HA GLY 68 -9.107 0.289 2.429 509 H SER 69 H SER 69 -9.759 1.798 -0.694 510 HA SER 69 HA SER 69 -12.097 3.084 0.358 511 HG SER 69 HG SER 69 -10.016 3.274 -2.979 512 HB2 SER 69 1HB SER 69 -12.284 4.077 -1.899 513 HB3 SER 69 2HB SER 69 -10.656 4.247 -1.242 514 H GLY 70 H GLY 70 -11.448 0.204 -1.436 515 HA2 GLY 70 1HA GLY 70 -13.083 -1.546 -1.524 516 HA3 GLY 70 2HA GLY 70 -14.341 -0.319 -1.548 517 H THR 71 H THR 71 -11.639 0.285 -3.557 518 HA THR 71 HA THR 71 -12.786 -1.015 -5.886 519 HB THR 71 HB THR 71 -12.824 1.118 -7.196 520 HG1 THR 71 HG1 THR 71 -12.552 2.243 -4.591 521 HG21 THR 71 3HG2 THR 71 -15.023 1.599 -6.651 522 HG22 THR 71 1HG2 THR 71 -14.746 1.404 -4.921 523 HG23 THR 71 2HG2 THR 71 -14.827 -0.014 -5.966 524 H VAL 72 H VAL 72 -11.358 -1.166 -7.639 525 HA VAL 72 HA VAL 72 -8.559 -0.768 -6.911 526 HB VAL 72 HB VAL 72 -9.981 -2.477 -8.900 527 HG11 VAL 72 1HG1 VAL 72 -8.487 -1.580 -10.428 528 HG12 VAL 72 2HG1 VAL 72 -7.218 -1.372 -9.219 529 HG13 VAL 72 3HG1 VAL 72 -7.613 -2.984 -9.816 530 HG21 VAL 72 3HG2 VAL 72 -9.351 -4.045 -7.459 531 HG22 VAL 72 1HG2 VAL 72 -7.660 -3.648 -7.760 532 HG23 VAL 72 2HG2 VAL 72 -8.544 -2.825 -6.475 533 H ASP 73 H ASP 73 -7.367 0.835 -7.695 534 HA ASP 73 HA ASP 73 -8.471 2.491 -9.841 535 HB2 ASP 73 1HB ASP 73 -7.441 3.253 -7.478 536 HB3 ASP 73 2HB ASP 73 -5.973 3.289 -8.451 537 H PHE 74 H PHE 74 -6.518 3.603 -11.123 538 HA PHE 74 HA PHE 74 -5.524 1.646 -12.859 539 HD1 PHE 74 HD2 PHE 74 -4.425 1.436 -14.503 540 HD2 PHE 74 HD1 PHE 74 -3.180 5.488 -14.112 541 HE1 PHE 74 HE2 PHE 74 -2.788 1.103 -16.309 542 HE2 PHE 74 HE1 PHE 74 -1.541 5.161 -15.918 543 HZ PHE 74 HZ PHE 74 -1.342 2.967 -17.018 544 HB2 PHE 74 1HB PHE 74 -5.848 3.981 -13.534 545 HB3 PHE 74 2HB PHE 74 -4.555 4.483 -12.450 546 H ASP 75 H ASP 75 -4.073 3.238 -10.081 547 HA ASP 75 HA ASP 75 -1.439 2.257 -10.492 548 HB2 ASP 75 1HB ASP 75 -2.810 3.231 -7.977 549 HB3 ASP 75 2HB ASP 75 -1.085 2.904 -8.113 550 H GLU 76 H GLU 76 -3.975 1.265 -8.184 551 HA GLU 76 HA GLU 76 -2.616 -1.002 -7.231 552 HB2 GLU 76 1HB GLU 76 -5.601 -0.537 -7.344 553 HB3 GLU 76 2HB GLU 76 -4.771 -1.696 -6.315 554 HG2 GLU 76 1HG GLU 76 -4.120 -0.128 -4.833 555 HG3 GLU 76 2HG GLU 76 -3.905 1.110 -6.069 556 H TRP 77 H TRP 77 -4.616 -0.483 -10.037 557 HA TRP 77 HA TRP 77 -5.114 -3.222 -10.620 558 HD1 TRP 77 HD1 TRP 77 -8.037 -3.187 -12.485 559 HE1 TRP 77 HE1 TRP 77 -8.041 -4.610 -14.630 560 HE3 TRP 77 HE3 TRP 77 -3.366 -2.049 -14.223 561 HZ2 TRP 77 HZ2 TRP 77 -6.295 -5.175 -16.774 562 HZ3 TRP 77 HZ3 TRP 77 -2.609 -3.074 -16.328 563 HH2 TRP 77 HH2 TRP 77 -4.044 -4.605 -17.575 564 HB2 TRP 77 1HB TRP 77 -6.478 -1.353 -11.522 565 HB3 TRP 77 2HB TRP 77 -5.106 -0.859 -12.511 566 H LEU 78 H LEU 78 -2.589 -0.940 -11.514 567 HA LEU 78 HA LEU 78 -1.356 -2.590 -13.470 568 HG LEU 78 HG LEU 78 -0.598 -0.788 -14.909 569 HB2 LEU 78 1HB LEU 78 -1.064 0.008 -12.590 570 HB3 LEU 78 2HB LEU 78 0.434 -0.765 -12.075 571 HD11 LEU 78 1HD1 LEU 78 -0.101 1.454 -14.552 572 HD12 LEU 78 2HD1 LEU 78 1.402 0.802 -15.203 573 HD13 LEU 78 3HD1 LEU 78 1.242 1.087 -13.470 574 HD21 LEU 78 3HD2 LEU 78 0.887 -2.461 -15.046 575 HD22 LEU 78 1HD2 LEU 78 1.640 -2.049 -13.505 576 HD23 LEU 78 2HD2 LEU 78 2.100 -1.182 -14.971 577 H VAL 79 H VAL 79 -0.627 -1.944 -10.050 578 HA VAL 79 HA VAL 79 1.617 -3.617 -9.853 579 HB VAL 79 HB VAL 79 1.171 -3.629 -7.410 580 HG11 VAL 79 1HG1 VAL 79 2.355 -1.753 -7.570 581 HG12 VAL 79 2HG1 VAL 79 1.592 -1.331 -9.105 582 HG13 VAL 79 3HG1 VAL 79 0.829 -0.870 -7.583 583 HG21 VAL 79 3HG2 VAL 79 -1.323 -2.133 -8.210 584 HG22 VAL 79 1HG2 VAL 79 -1.242 -3.709 -7.424 585 HG23 VAL 79 2HG2 VAL 79 -0.712 -2.266 -6.561 586 H MET 80 H MET 80 -1.808 -4.291 -9.716 587 HA MET 80 HA MET 80 -1.867 -6.749 -8.466 588 HB2 MET 80 1HB MET 80 -3.553 -5.314 -10.378 589 HB3 MET 80 2HB MET 80 -3.685 -7.062 -10.516 590 HG2 MET 80 1HG MET 80 -3.941 -6.935 -7.912 591 HG3 MET 80 2HG MET 80 -4.421 -5.275 -8.257 592 HE1 MET 80 3HE MET 80 -6.155 -6.632 -11.454 593 HE2 MET 80 1HE MET 80 -7.291 -5.563 -10.630 594 HE3 MET 80 2HE MET 80 -5.579 -5.145 -10.699 595 H MET 81 H MET 81 -1.532 -6.187 -11.975 596 HA MET 81 HA MET 81 -0.999 -8.898 -12.589 597 HB2 MET 81 1HB MET 81 -0.167 -7.948 -14.776 598 HB3 MET 81 2HB MET 81 -1.815 -7.514 -14.340 599 HG2 MET 81 1HG MET 81 -1.158 -5.325 -13.701 600 HG3 MET 81 2HG MET 81 0.551 -5.741 -13.809 601 HE1 MET 81 3HE MET 81 -1.245 -7.507 -16.610 602 HE2 MET 81 1HE MET 81 -2.543 -6.413 -16.130 603 HE3 MET 81 2HE MET 81 -1.776 -6.231 -17.708 604 H ALA 82 H ALA 82 1.054 -6.146 -11.828 605 HA ALA 82 HA ALA 82 3.529 -7.182 -12.584 606 HB1 ALA 82 1HB ALA 82 4.020 -5.107 -11.953 607 HB2 ALA 82 2HB ALA 82 2.564 -4.992 -10.964 608 HB3 ALA 82 3HB ALA 82 4.033 -5.696 -10.290 609 H ARG 83 H ARG 83 1.545 -7.842 -9.787 610 HA ARG 83 HA ARG 83 3.556 -9.095 -8.218 611 HE ARG 83 HE ARG 83 -1.397 -8.069 -6.218 612 HB2 ARG 83 1HB ARG 83 0.544 -9.188 -8.168 613 HB3 ARG 83 2HB ARG 83 1.526 -10.120 -7.045 614 HG2 ARG 83 1HG ARG 83 2.599 -7.969 -6.340 615 HG3 ARG 83 2HG ARG 83 1.393 -7.129 -7.317 616 HD2 ARG 83 1HD ARG 83 0.442 -9.146 -5.354 617 HD3 ARG 83 2HD ARG 83 1.032 -7.605 -4.733 618 HH11 ARG 83 1HH1 ARG 83 0.969 -5.726 -5.200 619 HH12 ARG 83 2HH1 ARG 83 -0.101 -4.375 -5.379 620 HH21 ARG 83 1HH2 ARG 83 -2.815 -6.298 -6.457 621 HH22 ARG 83 2HH2 ARG 83 -2.254 -4.702 -6.093 622 H CYS 84 H CYS 84 1.593 -10.126 -10.869 623 HA CYS 84 HA CYS 84 1.741 -12.926 -10.399 624 HG CYS 84 HG CYS 84 -0.946 -13.676 -12.907 625 HB2 CYS 84 1HB CYS 84 0.175 -11.545 -11.984 626 HB3 CYS 84 2HB CYS 84 1.474 -11.769 -13.150 627 H MET 85 H MET 85 4.013 -10.638 -11.453 628 HA MET 85 HA MET 85 5.573 -12.344 -13.135 629 HB2 MET 85 1HB MET 85 7.016 -10.559 -13.373 630 HB3 MET 85 2HB MET 85 5.518 -9.732 -12.968 631 HG2 MET 85 1HG MET 85 6.334 -9.804 -10.554 632 HG3 MET 85 2HG MET 85 7.904 -10.236 -11.228 633 HE1 MET 85 3HE MET 85 9.606 -7.822 -12.365 634 HE2 MET 85 1HE MET 85 8.776 -9.121 -13.223 635 HE3 MET 85 2HE MET 85 8.523 -7.444 -13.706 636 H LYS 86 H LYS 86 5.356 -11.772 -9.726 637 HA LYS 86 HA LYS 86 7.922 -12.808 -9.028 638 HB2 LYS 86 1HB LYS 86 6.923 -11.387 -7.430 639 HB3 LYS 86 2HB LYS 86 5.400 -12.265 -7.479 640 HG2 LYS 86 1HG LYS 86 7.796 -13.759 -6.588 641 HG3 LYS 86 2HG LYS 86 7.145 -12.533 -5.498 642 HD2 LYS 86 1HD LYS 86 4.988 -14.077 -6.557 643 HD3 LYS 86 2HD LYS 86 6.219 -15.171 -5.921 644 HE2 LYS 86 1HE LYS 86 6.050 -14.313 -3.771 645 HE3 LYS 86 2HE LYS 86 5.334 -12.800 -4.325 646 HZ1 LYS 86 3HZ LYS 86 4.066 -15.352 -3.756 647 HZ2 LYS 86 1HZ LYS 86 3.477 -14.523 -5.108 648 HZ3 LYS 86 2HZ LYS 86 3.462 -13.781 -3.589 649 H ASP 87 H ASP 87 4.940 -14.225 -9.926 650 HA ASP 87 HA ASP 87 5.312 -16.727 -8.574 651 HB2 ASP 87 1HB ASP 87 3.103 -15.686 -9.420 652 HB3 ASP 87 2HB ASP 87 3.567 -16.330 -10.992 653 H ASP 88 H ASP 88 7.304 -17.559 -9.117 654 HA ASP 88 HA ASP 88 7.481 -18.682 -11.810 655 HB2 ASP 88 1HB ASP 88 8.810 -16.470 -11.563 656 HB3 ASP 88 2HB ASP 88 9.922 -17.425 -10.587 657 H SER 89 H SER 89 8.700 -20.584 -11.955 658 HA SER 89 HA SER 89 9.527 -22.579 -11.240 659 HG SER 89 HG SER 89 11.877 -23.076 -10.335 660 HB2 SER 89 1HB SER 89 11.303 -20.969 -10.320 661 HB3 SER 89 2HB SER 89 10.515 -21.183 -8.757 Start of MODEL 10 1 HA MET 1 HA MET 1 1.241 -0.229 -0.328 2 H1 MET 1 H MET 1 1.394 -0.804 2.504 3 HB2 MET 1 1HB MET 1 2.887 0.654 1.952 4 HB3 MET 1 2HB MET 1 3.736 0.571 0.415 5 HG2 MET 1 1HG MET 1 1.098 1.946 0.554 6 HG3 MET 1 2HG MET 1 2.538 2.761 1.159 7 HE1 MET 1 3HE MET 1 2.452 4.649 -0.232 8 HE2 MET 1 1HE MET 1 2.709 4.732 -1.975 9 HE3 MET 1 2HE MET 1 1.115 4.329 -1.338 10 H ASP 2 H ASP 2 2.120 -1.403 -1.901 11 HA ASP 2 HA ASP 2 3.998 -3.544 -1.149 12 HB2 ASP 2 1HB ASP 2 3.227 -4.437 -3.493 13 HB3 ASP 2 2HB ASP 2 2.203 -4.670 -2.079 14 H ASP 3 H ASP 3 5.873 -2.293 -1.306 15 HA ASP 3 HA ASP 3 6.495 -0.744 -3.620 16 HB2 ASP 3 1HB ASP 3 8.575 -0.314 -2.598 17 HB3 ASP 3 2HB ASP 3 7.447 -0.474 -1.255 18 H ILE 4 H ILE 4 6.845 -4.072 -2.751 19 HA ILE 4 HA ILE 4 8.935 -4.758 -4.537 20 HB ILE 4 HB ILE 4 8.320 -6.225 -2.689 21 HG12 ILE 4 1HG1 ILE 4 7.595 -7.937 -4.994 22 HG13 ILE 4 2HG1 ILE 4 9.080 -7.008 -5.164 23 HG21 ILE 4 1HG2 ILE 4 5.814 -5.693 -3.023 24 HG22 ILE 4 2HG2 ILE 4 5.841 -7.049 -4.149 25 HG23 ILE 4 3HG2 ILE 4 6.276 -7.299 -2.458 26 HD11 ILE 4 3HD1 ILE 4 8.729 -9.449 -3.857 27 HD12 ILE 4 1HD1 ILE 4 10.173 -8.437 -3.883 28 HD13 ILE 4 2HD1 ILE 4 8.991 -8.255 -2.586 29 H TYR 5 H TYR 5 5.462 -4.461 -4.884 30 HA TYR 5 HA TYR 5 5.454 -5.654 -7.522 31 HD1 TYR 5 HD2 TYR 5 4.664 -7.455 -7.300 32 HD2 TYR 5 HD1 TYR 5 1.959 -5.669 -4.544 33 HE1 TYR 5 HE2 TYR 5 4.214 -9.665 -6.318 34 HE2 TYR 5 HE1 TYR 5 1.503 -7.873 -3.554 35 HH TYR 5 HH TYR 5 2.599 -10.806 -5.013 36 HB2 TYR 5 1HB TYR 5 3.299 -4.299 -5.893 37 HB3 TYR 5 2HB TYR 5 3.034 -4.962 -7.502 38 H LYS 6 H LYS 6 5.125 -2.432 -6.100 39 HA LYS 6 HA LYS 6 4.633 -1.062 -8.524 40 HB2 LYS 6 1HB LYS 6 4.806 0.903 -7.290 41 HB3 LYS 6 2HB LYS 6 4.317 -0.271 -6.075 42 HG2 LYS 6 1HG LYS 6 5.999 0.706 -4.928 43 HG3 LYS 6 2HG LYS 6 6.957 -0.489 -5.806 44 HD2 LYS 6 1HD LYS 6 7.937 1.072 -7.123 45 HD3 LYS 6 2HD LYS 6 6.487 2.076 -7.194 46 HE2 LYS 6 1HE LYS 6 8.125 1.834 -4.689 47 HE3 LYS 6 2HE LYS 6 8.526 3.001 -5.949 48 HZ1 LYS 6 3HZ LYS 6 6.286 2.976 -4.085 49 HZ2 LYS 6 1HZ LYS 6 5.961 3.534 -5.649 50 HZ3 LYS 6 2HZ LYS 6 7.156 4.283 -4.715 51 H ALA 7 H ALA 7 7.529 -2.206 -6.991 52 HA ALA 7 HA ALA 7 9.383 -0.552 -8.360 53 HB1 ALA 7 1HB ALA 7 9.618 -3.163 -6.905 54 HB2 ALA 7 2HB ALA 7 10.995 -2.450 -7.745 55 HB3 ALA 7 3HB ALA 7 10.212 -1.571 -6.432 56 H ALA 8 H ALA 8 8.572 -3.995 -8.861 57 HA ALA 8 HA ALA 8 9.993 -4.416 -11.187 58 HB1 ALA 8 1HB ALA 8 7.642 -5.899 -11.495 59 HB2 ALA 8 2HB ALA 8 9.161 -6.432 -10.772 60 HB3 ALA 8 3HB ALA 8 7.890 -5.755 -9.754 61 H VAL 9 H VAL 9 6.616 -3.326 -10.885 62 HA VAL 9 HA VAL 9 6.117 -3.080 -13.643 63 HB VAL 9 HB VAL 9 4.331 -3.123 -11.941 64 HG11 VAL 9 1HG1 VAL 9 5.205 -0.302 -11.325 65 HG12 VAL 9 2HG1 VAL 9 3.808 -1.137 -10.644 66 HG13 VAL 9 3HG1 VAL 9 5.438 -1.698 -10.273 67 HG21 VAL 9 3HG2 VAL 9 4.503 -0.944 -13.970 68 HG22 VAL 9 1HG2 VAL 9 3.487 -2.386 -13.946 69 HG23 VAL 9 2HG2 VAL 9 3.099 -1.016 -12.905 70 H GLU 10 H GLU 10 7.504 -0.872 -11.287 71 HA GLU 10 HA GLU 10 7.426 1.452 -12.901 72 HB2 GLU 10 1HB GLU 10 8.805 0.627 -10.403 73 HB3 GLU 10 2HB GLU 10 9.494 1.985 -11.281 74 HG2 GLU 10 1HG GLU 10 6.646 2.279 -11.057 75 HG3 GLU 10 2HG GLU 10 7.373 2.026 -9.471 76 H GLN 11 H GLN 11 9.424 -1.332 -12.924 77 HA GLN 11 HA GLN 11 11.591 -0.024 -14.356 78 HB2 GLN 11 1HB GLN 11 11.280 -2.976 -13.825 79 HB3 GLN 11 2HB GLN 11 12.756 -2.100 -14.207 80 HG2 GLN 11 1HG GLN 11 11.855 -0.851 -11.927 81 HG3 GLN 11 2HG GLN 11 11.459 -2.546 -11.650 82 HE21 GLN 11 2HE2 GLN 11 13.431 -3.934 -12.710 83 HE22 GLN 11 1HE2 GLN 11 14.956 -3.527 -12.007 84 H LEU 12 H LEU 12 8.613 -1.034 -15.189 85 HA LEU 12 HA LEU 12 9.087 -2.566 -17.529 86 HG LEU 12 HG LEU 12 7.146 -2.983 -15.341 87 HB2 LEU 12 1HB LEU 12 6.742 -0.886 -16.667 88 HB3 LEU 12 2HB LEU 12 6.747 -1.885 -18.119 89 HD11 LEU 12 1HD1 LEU 12 4.862 -3.556 -15.263 90 HD12 LEU 12 2HD1 LEU 12 4.606 -3.088 -16.944 91 HD13 LEU 12 3HD1 LEU 12 4.914 -1.854 -15.722 92 HD21 LEU 12 3HD2 LEU 12 6.470 -5.099 -16.502 93 HD22 LEU 12 1HD2 LEU 12 8.030 -4.444 -17.000 94 HD23 LEU 12 2HD2 LEU 12 6.614 -4.230 -18.031 95 H THR 13 H THR 13 8.250 -1.708 -19.719 96 HA THR 13 HA THR 13 9.851 0.625 -20.363 97 HB THR 13 HB THR 13 9.049 0.039 -22.750 98 HG1 THR 13 HG1 THR 13 8.161 -1.974 -23.001 99 HG21 THR 13 3HG2 THR 13 10.557 -2.294 -21.836 100 HG22 THR 13 1HG2 THR 13 11.201 -0.762 -21.247 101 HG23 THR 13 2HG2 THR 13 11.010 -1.030 -22.979 102 H GLU 14 H GLU 14 8.994 2.314 -21.803 103 HA GLU 14 HA GLU 14 6.694 3.522 -20.733 104 HB2 GLU 14 1HB GLU 14 7.999 4.124 -23.392 105 HB3 GLU 14 2HB GLU 14 6.963 5.200 -22.464 106 HG2 GLU 14 1HG GLU 14 8.670 5.938 -21.263 107 HG3 GLU 14 2HG GLU 14 9.195 4.300 -20.881 108 H GLU 15 H GLU 15 7.197 1.538 -23.592 109 HA GLU 15 HA GLU 15 4.668 1.987 -24.777 110 HB2 GLU 15 1HB GLU 15 6.636 -0.287 -25.035 111 HB3 GLU 15 2HB GLU 15 5.165 -0.174 -25.990 112 HG2 GLU 15 1HG GLU 15 7.275 1.964 -25.950 113 HG3 GLU 15 2HG GLU 15 7.254 0.637 -27.109 114 H GLN 16 H GLN 16 5.883 -0.639 -22.708 115 HA GLN 16 HA GLN 16 3.496 -2.110 -22.605 116 HB2 GLN 16 1HB GLN 16 5.734 -1.920 -20.582 117 HB3 GLN 16 2HB GLN 16 4.462 -3.134 -20.556 118 HG2 GLN 16 1HG GLN 16 5.985 -2.894 -23.069 119 HG3 GLN 16 2HG GLN 16 6.860 -3.524 -21.674 120 HE21 GLN 16 2HE2 GLN 16 6.791 -5.304 -23.460 121 HE22 GLN 16 1HE2 GLN 16 5.546 -6.484 -23.249 122 H LYS 17 H LYS 17 4.840 0.163 -20.207 123 HA LYS 17 HA LYS 17 2.738 0.151 -18.411 124 HB2 LYS 17 1HB LYS 17 5.015 1.307 -18.224 125 HB3 LYS 17 2HB LYS 17 4.283 2.645 -19.100 126 HG2 LYS 17 1HG LYS 17 4.199 3.130 -16.765 127 HG3 LYS 17 2HG LYS 17 2.558 2.793 -17.320 128 HD2 LYS 17 1HD LYS 17 2.361 1.002 -15.988 129 HD3 LYS 17 2HD LYS 17 3.977 0.417 -16.391 130 HE2 LYS 17 1HE LYS 17 3.790 0.947 -14.014 131 HE3 LYS 17 2HE LYS 17 4.953 2.003 -14.816 132 HZ1 LYS 17 3HZ LYS 17 2.270 3.048 -14.770 133 HZ2 LYS 17 1HZ LYS 17 3.732 3.800 -14.370 134 HZ3 LYS 17 2HZ LYS 17 2.937 2.837 -13.230 135 H ASN 18 H ASN 18 3.009 1.758 -21.497 136 HA ASN 18 HA ASN 18 0.853 3.566 -21.175 137 HB2 ASN 18 1HB ASN 18 2.649 2.743 -23.299 138 HB3 ASN 18 2HB ASN 18 1.008 2.962 -23.900 139 HD21 ASN 18 2HD2 ASN 18 3.618 4.503 -24.107 140 HD22 ASN 18 1HD2 ASN 18 3.166 6.129 -23.738 141 H GLU 19 H GLU 19 1.065 0.218 -22.183 142 HA GLU 19 HA GLU 19 -1.555 0.007 -23.246 143 HB2 GLU 19 1HB GLU 19 0.141 -2.189 -22.048 144 HB3 GLU 19 2HB GLU 19 -1.212 -2.392 -23.152 145 HG2 GLU 19 1HG GLU 19 0.279 -0.833 -24.682 146 HG3 GLU 19 2HG GLU 19 1.567 -1.516 -23.691 147 H PHE 20 H PHE 20 -0.179 -0.791 -20.069 148 HA PHE 20 HA PHE 20 -2.444 -1.842 -18.866 149 HD1 PHE 20 HD2 PHE 20 -1.532 -3.489 -16.662 150 HD2 PHE 20 HD1 PHE 20 1.582 -1.441 -18.717 151 HE1 PHE 20 HE2 PHE 20 -0.213 -5.565 -16.725 152 HE2 PHE 20 HE1 PHE 20 2.905 -3.514 -18.785 153 HZ PHE 20 HZ PHE 20 2.009 -5.579 -17.787 154 HB2 PHE 20 1HB PHE 20 -0.183 -0.227 -17.679 155 HB3 PHE 20 2HB PHE 20 -1.410 -1.036 -16.709 156 H LYS 21 H LYS 21 -1.592 1.480 -19.515 157 HA LYS 21 HA LYS 21 -3.687 2.574 -17.862 158 HB2 LYS 21 1HB LYS 21 -1.502 3.735 -18.367 159 HB3 LYS 21 2HB LYS 21 -2.094 3.987 -20.003 160 HG2 LYS 21 1HG LYS 21 -3.842 4.879 -17.789 161 HG3 LYS 21 2HG LYS 21 -2.363 5.798 -18.076 162 HD2 LYS 21 1HD LYS 21 -3.000 6.181 -20.375 163 HD3 LYS 21 2HD LYS 21 -4.421 5.150 -20.186 164 HE2 LYS 21 1HE LYS 21 -3.942 7.657 -18.584 165 HE3 LYS 21 2HE LYS 21 -4.872 7.616 -20.081 166 HZ1 LYS 21 3HZ LYS 21 -6.466 7.415 -18.430 167 HZ2 LYS 21 1HZ LYS 21 -5.517 6.388 -17.477 168 HZ3 LYS 21 2HZ LYS 21 -6.221 5.810 -18.902 169 H ALA 22 H ALA 22 -3.198 1.821 -21.258 170 HA ALA 22 HA ALA 22 -5.546 3.134 -22.197 171 HB1 ALA 22 1HB ALA 22 -4.303 0.830 -23.637 172 HB2 ALA 22 2HB ALA 22 -5.015 2.308 -24.287 173 HB3 ALA 22 3HB ALA 22 -3.437 2.360 -23.502 174 H ALA 23 H ALA 23 -4.791 -0.340 -21.855 175 HA ALA 23 HA ALA 23 -7.347 -1.309 -22.359 176 HB1 ALA 23 1HB ALA 23 -6.365 -3.145 -20.603 177 HB2 ALA 23 2HB ALA 23 -5.989 -3.091 -22.326 178 HB3 ALA 23 3HB ALA 23 -4.890 -2.355 -21.160 179 H PHE 24 H PHE 24 -5.982 0.045 -19.442 180 HA PHE 24 HA PHE 24 -8.002 -0.865 -17.662 181 HD1 PHE 24 HD2 PHE 24 -7.750 -0.785 -15.026 182 HD2 PHE 24 HD1 PHE 24 -6.832 3.181 -16.270 183 HE1 PHE 24 HE2 PHE 24 -8.809 0.097 -12.987 184 HE2 PHE 24 HE1 PHE 24 -7.888 4.068 -14.233 185 HZ PHE 24 HZ PHE 24 -8.880 2.526 -12.589 186 HB2 PHE 24 1HB PHE 24 -5.898 -0.191 -16.736 187 HB3 PHE 24 2HB PHE 24 -6.011 1.398 -17.486 188 H ASP 25 H ASP 25 -7.720 1.832 -19.838 189 HA ASP 25 HA ASP 25 -9.686 3.514 -18.734 190 HB2 ASP 25 1HB ASP 25 -8.077 4.239 -20.463 191 HB3 ASP 25 2HB ASP 25 -8.892 3.210 -21.638 192 H ILE 26 H ILE 26 -9.886 0.811 -20.986 193 HA ILE 26 HA ILE 26 -12.604 1.149 -21.687 194 HB ILE 26 HB ILE 26 -10.925 -1.361 -21.683 195 HG12 ILE 26 1HG1 ILE 26 -11.215 -0.689 -24.278 196 HG13 ILE 26 2HG1 ILE 26 -11.259 0.915 -23.554 197 HG21 ILE 26 1HG2 ILE 26 -13.599 -0.783 -22.946 198 HG22 ILE 26 2HG2 ILE 26 -12.606 -2.194 -23.309 199 HG23 ILE 26 3HG2 ILE 26 -13.249 -1.964 -21.684 200 HD11 ILE 26 3HD1 ILE 26 -9.112 -0.364 -22.335 201 HD12 ILE 26 1HD1 ILE 26 -9.021 -0.820 -24.036 202 HD13 ILE 26 2HD1 ILE 26 -9.049 0.883 -23.580 203 H PHE 27 H PHE 27 -10.992 -0.610 -19.093 204 HA PHE 27 HA PHE 27 -13.226 -2.036 -18.153 205 HD1 PHE 27 HD1 PHE 27 -10.073 -2.800 -19.027 206 HD2 PHE 27 HD2 PHE 27 -12.163 -4.055 -15.539 207 HE1 PHE 27 HE1 PHE 27 -9.535 -5.143 -19.553 208 HE2 PHE 27 HE2 PHE 27 -11.628 -6.400 -16.058 209 HZ PHE 27 HZ PHE 27 -10.312 -6.946 -18.067 210 HB2 PHE 27 1HB PHE 27 -10.576 -1.260 -17.039 211 HB3 PHE 27 2HB PHE 27 -11.811 -1.793 -15.902 212 H VAL 28 H VAL 28 -11.813 1.027 -17.004 213 HA VAL 28 HA VAL 28 -14.100 1.521 -15.295 214 HB VAL 28 HB VAL 28 -12.949 3.500 -14.560 215 HG11 VAL 28 1HG1 VAL 28 -11.362 2.426 -13.364 216 HG12 VAL 28 2HG1 VAL 28 -12.067 0.997 -14.122 217 HG13 VAL 28 3HG1 VAL 28 -10.607 1.723 -14.794 218 HG21 VAL 28 3HG2 VAL 28 -11.743 3.364 -17.154 219 HG22 VAL 28 1HG2 VAL 28 -11.734 4.688 -15.989 220 HG23 VAL 28 2HG2 VAL 28 -10.487 3.443 -15.919 221 H LEU 29 H LEU 29 -13.764 1.716 -18.486 222 HA LEU 29 HA LEU 29 -14.550 4.329 -19.170 223 HG LEU 29 HG LEU 29 -16.486 1.561 -20.462 224 HB2 LEU 29 1HB LEU 29 -14.423 3.559 -21.253 225 HB3 LEU 29 2HB LEU 29 -13.891 2.039 -20.535 226 HD11 LEU 29 1HD1 LEU 29 -16.561 3.000 -23.025 227 HD12 LEU 29 2HD1 LEU 29 -16.615 4.014 -21.583 228 HD13 LEU 29 3HD1 LEU 29 -17.824 2.753 -21.819 229 HD21 LEU 29 3HD2 LEU 29 -16.060 0.911 -23.056 230 HD22 LEU 29 1HD2 LEU 29 -15.449 -0.015 -21.685 231 HD23 LEU 29 2HD2 LEU 29 -14.405 1.151 -22.497 232 H GLY 30 H GLY 30 -16.284 1.716 -17.773 233 HA2 GLY 30 1HA GLY 30 -18.888 2.745 -18.578 234 HA3 GLY 30 2HA GLY 30 -18.587 1.310 -17.609 235 H ALA 31 H ALA 31 -16.770 2.817 -15.809 236 HA ALA 31 HA ALA 31 -18.754 3.663 -13.934 237 HB1 ALA 31 1HB ALA 31 -16.598 4.392 -12.656 238 HB2 ALA 31 2HB ALA 31 -16.959 2.680 -12.882 239 HB3 ALA 31 3HB ALA 31 -15.775 3.475 -13.920 240 H GLU 32 H GLU 32 -18.028 5.811 -12.646 241 HA GLU 32 HA GLU 32 -18.117 7.950 -14.663 242 HB2 GLU 32 1HB GLU 32 -19.100 7.913 -11.805 243 HB3 GLU 32 2HB GLU 32 -19.139 9.323 -12.853 244 HG2 GLU 32 1HG GLU 32 -20.587 6.730 -13.337 245 HG3 GLU 32 2HG GLU 32 -21.307 8.224 -12.743 246 H ASP 33 H ASP 33 -16.825 7.237 -11.424 247 HA ASP 33 HA ASP 33 -15.031 9.470 -11.467 248 HB2 ASP 33 1HB ASP 33 -14.979 7.055 -9.646 249 HB3 ASP 33 2HB ASP 33 -14.198 8.608 -9.360 250 H GLY 34 H GLY 34 -14.828 6.063 -12.264 251 HA2 GLY 34 1HA GLY 34 -13.217 5.374 -13.935 252 HA3 GLY 34 2HA GLY 34 -12.095 6.547 -13.262 253 H CYS 35 H CYS 35 -14.062 3.902 -11.899 254 HA CYS 35 HA CYS 35 -11.625 2.565 -11.022 255 HG CYS 35 HG CYS 35 -10.428 4.140 -9.310 256 HB2 CYS 35 1HB CYS 35 -13.782 3.541 -9.147 257 HB3 CYS 35 2HB CYS 35 -12.615 2.301 -8.705 258 H ILE 36 H ILE 36 -12.303 0.462 -9.793 259 HA ILE 36 HA ILE 36 -14.699 -0.689 -11.051 260 HB ILE 36 HB ILE 36 -11.979 -1.999 -10.946 261 HG12 ILE 36 1HG1 ILE 36 -13.395 -1.739 -13.510 262 HG13 ILE 36 2HG1 ILE 36 -12.921 -0.203 -12.791 263 HG21 ILE 36 1HG2 ILE 36 -13.133 -3.818 -12.234 264 HG22 ILE 36 2HG2 ILE 36 -13.611 -3.680 -10.543 265 HG23 ILE 36 3HG2 ILE 36 -14.663 -3.051 -11.810 266 HD11 ILE 36 3HD1 ILE 36 -10.603 -1.266 -12.544 267 HD12 ILE 36 1HD1 ILE 36 -11.192 -2.471 -13.690 268 HD13 ILE 36 2HD1 ILE 36 -11.131 -0.770 -14.152 269 H SER 37 H SER 37 -16.003 -1.338 -9.481 270 HA SER 37 HA SER 37 -14.934 -2.044 -6.872 271 HG SER 37 HG SER 37 -17.750 -2.123 -8.866 272 HB2 SER 37 1HB SER 37 -17.472 -2.302 -6.378 273 HB3 SER 37 2HB SER 37 -16.829 -0.685 -6.660 274 H THR 38 H THR 38 -15.174 -4.029 -5.871 275 HA THR 38 HA THR 38 -14.842 -6.323 -7.354 276 HB THR 38 HB THR 38 -14.248 -6.471 -5.085 277 HG1 THR 38 HG1 THR 38 -15.750 -8.184 -4.306 278 HG21 THR 38 3HG2 THR 38 -15.415 -4.900 -3.887 279 HG22 THR 38 1HG2 THR 38 -16.243 -6.363 -3.356 280 HG23 THR 38 2HG2 THR 38 -16.964 -5.345 -4.602 281 H LYS 39 H LYS 39 -17.804 -4.737 -6.435 282 HA LYS 39 HA LYS 39 -19.571 -6.899 -6.914 283 HB2 LYS 39 1HB LYS 39 -21.317 -5.126 -7.053 284 HB3 LYS 39 2HB LYS 39 -20.319 -5.022 -5.608 285 HG2 LYS 39 1HG LYS 39 -18.945 -3.381 -7.228 286 HG3 LYS 39 2HG LYS 39 -20.570 -3.163 -7.880 287 HD2 LYS 39 1HD LYS 39 -19.976 -2.975 -4.938 288 HD3 LYS 39 2HD LYS 39 -19.854 -1.584 -6.017 289 HE2 LYS 39 1HE LYS 39 -22.317 -3.272 -5.585 290 HE3 LYS 39 2HE LYS 39 -22.029 -1.679 -4.888 291 HZ1 LYS 39 3HZ LYS 39 -23.331 -1.262 -6.748 292 HZ2 LYS 39 1HZ LYS 39 -22.518 -2.391 -7.712 293 HZ3 LYS 39 2HZ LYS 39 -21.767 -0.933 -7.300 294 H GLU 40 H GLU 40 -18.498 -4.185 -8.940 295 HA GLU 40 HA GLU 40 -19.990 -5.106 -11.220 296 HB2 GLU 40 1HB GLU 40 -17.786 -3.041 -11.135 297 HB3 GLU 40 2HB GLU 40 -18.987 -3.253 -12.402 298 HG2 GLU 40 1HG GLU 40 -19.661 -2.513 -9.567 299 HG3 GLU 40 2HG GLU 40 -19.406 -1.341 -10.859 300 H LEU 41 H LEU 41 -16.758 -5.476 -9.980 301 HA LEU 41 HA LEU 41 -15.465 -6.309 -12.334 302 HG LEU 41 HG LEU 41 -13.635 -8.608 -10.573 303 HB2 LEU 41 1HB LEU 41 -14.224 -5.674 -10.363 304 HB3 LEU 41 2HB LEU 41 -14.931 -7.006 -9.451 305 HD11 LEU 41 1HD1 LEU 41 -13.505 -6.556 -12.676 306 HD12 LEU 41 2HD1 LEU 41 -13.583 -8.313 -12.802 307 HD13 LEU 41 3HD1 LEU 41 -12.045 -7.521 -12.461 308 HD21 LEU 41 3HD2 LEU 41 -12.032 -6.122 -10.028 309 HD22 LEU 41 1HD2 LEU 41 -11.290 -7.672 -10.424 310 HD23 LEU 41 2HD2 LEU 41 -12.282 -7.515 -8.975 311 H GLY 42 H GLY 42 -16.963 -8.222 -9.725 312 HA2 GLY 42 1HA GLY 42 -16.490 -10.763 -10.688 313 HA3 GLY 42 2HA GLY 42 -17.915 -10.314 -9.763 314 H LYS 43 H LYS 43 -18.715 -8.385 -11.905 315 HA LYS 43 HA LYS 43 -20.370 -10.168 -13.377 316 HB2 LYS 43 1HB LYS 43 -20.108 -7.300 -13.012 317 HB3 LYS 43 2HB LYS 43 -20.437 -7.706 -14.691 318 HG2 LYS 43 1HG LYS 43 -22.300 -9.218 -13.640 319 HG3 LYS 43 2HG LYS 43 -22.124 -8.114 -12.273 320 HD2 LYS 43 1HD LYS 43 -22.606 -6.218 -13.688 321 HD3 LYS 43 2HD LYS 43 -22.639 -7.251 -15.119 322 HE2 LYS 43 1HE LYS 43 -24.894 -6.901 -14.564 323 HE3 LYS 43 2HE LYS 43 -24.521 -8.516 -13.964 324 HZ1 LYS 43 3HZ LYS 43 -25.089 -6.067 -12.477 325 HZ2 LYS 43 1HZ LYS 43 -23.970 -7.141 -11.802 326 HZ3 LYS 43 2HZ LYS 43 -25.542 -7.663 -12.145 327 H VAL 44 H VAL 44 -17.531 -8.217 -14.211 328 HA VAL 44 HA VAL 44 -17.483 -8.793 -16.958 329 HB VAL 44 HB VAL 44 -16.041 -7.142 -15.432 330 HG11 VAL 44 1HG1 VAL 44 -14.024 -9.277 -16.059 331 HG12 VAL 44 2HG1 VAL 44 -13.829 -7.837 -15.057 332 HG13 VAL 44 3HG1 VAL 44 -14.827 -9.178 -14.492 333 HG21 VAL 44 3HG2 VAL 44 -16.249 -6.993 -17.844 334 HG22 VAL 44 1HG2 VAL 44 -14.559 -6.814 -17.371 335 HG23 VAL 44 2HG2 VAL 44 -15.129 -8.340 -18.047 336 H MET 45 H MET 45 -16.499 -10.643 -14.190 337 HA MET 45 HA MET 45 -14.670 -12.405 -15.319 338 HB2 MET 45 1HB MET 45 -16.741 -12.909 -13.176 339 HB3 MET 45 2HB MET 45 -15.418 -14.004 -13.554 340 HG2 MET 45 1HG MET 45 -14.601 -11.243 -13.021 341 HG3 MET 45 2HG MET 45 -15.348 -12.070 -11.656 342 HE1 MET 45 3HE MET 45 -12.829 -12.514 -14.536 343 HE2 MET 45 1HE MET 45 -11.677 -13.696 -13.914 344 HE3 MET 45 2HE MET 45 -13.307 -14.203 -14.357 345 H ARG 46 H ARG 46 -18.195 -12.440 -15.391 346 HA ARG 46 HA ARG 46 -18.573 -14.995 -16.463 347 HE ARG 46 HE ARG 46 -21.958 -13.392 -13.007 348 HB2 ARG 46 1HB ARG 46 -20.239 -12.514 -16.926 349 HB3 ARG 46 2HB ARG 46 -20.760 -14.170 -17.209 350 HG2 ARG 46 1HG ARG 46 -20.267 -14.550 -14.726 351 HG3 ARG 46 2HG ARG 46 -20.235 -12.790 -14.605 352 HD2 ARG 46 1HD ARG 46 -22.506 -12.760 -15.650 353 HD3 ARG 46 2HD ARG 46 -22.523 -14.518 -15.530 354 HH11 ARG 46 1HH1 ARG 46 -24.567 -13.803 -15.275 355 HH12 ARG 46 2HH1 ARG 46 -25.801 -13.774 -14.059 356 HH21 ARG 46 1HH2 ARG 46 -23.573 -13.353 -11.398 357 HH22 ARG 46 2HH2 ARG 46 -25.235 -13.517 -11.854 358 H MET 47 H MET 47 -17.980 -11.889 -18.048 359 HA MET 47 HA MET 47 -18.319 -12.812 -20.698 360 HB2 MET 47 1HB MET 47 -16.616 -10.508 -19.734 361 HB3 MET 47 2HB MET 47 -17.218 -10.748 -21.369 362 HG2 MET 47 1HG MET 47 -19.543 -10.633 -20.388 363 HG3 MET 47 2HG MET 47 -18.784 -10.077 -18.898 364 HE1 MET 47 3HE MET 47 -20.331 -8.554 -22.308 365 HE2 MET 47 1HE MET 47 -18.787 -7.997 -22.954 366 HE3 MET 47 2HE MET 47 -19.027 -9.707 -22.595 367 H LEU 48 H LEU 48 -15.630 -12.869 -18.473 368 HA LEU 48 HA LEU 48 -13.624 -13.458 -20.413 369 HG LEU 48 HG LEU 48 -13.874 -11.624 -17.690 370 HB2 LEU 48 1HB LEU 48 -13.630 -13.998 -17.447 371 HB3 LEU 48 2HB LEU 48 -12.219 -14.009 -18.504 372 HD11 LEU 48 1HD1 LEU 48 -10.954 -11.706 -17.332 373 HD12 LEU 48 2HD1 LEU 48 -11.882 -12.814 -16.321 374 HD13 LEU 48 3HD1 LEU 48 -12.216 -11.084 -16.269 375 HD21 LEU 48 3HD2 LEU 48 -11.627 -11.835 -19.688 376 HD22 LEU 48 1HD2 LEU 48 -12.233 -10.319 -19.022 377 HD23 LEU 48 2HD2 LEU 48 -13.290 -11.336 -20.001 378 H GLY 49 H GLY 49 -16.009 -15.318 -18.755 379 HA2 GLY 49 1HA GLY 49 -16.553 -17.480 -19.770 380 HA3 GLY 49 2HA GLY 49 -14.825 -17.772 -19.897 381 H GLN 50 H GLN 50 -15.634 -16.240 -17.004 382 HA GLN 50 HA GLN 50 -15.891 -18.796 -15.578 383 HB2 GLN 50 1HB GLN 50 -13.909 -16.592 -15.038 384 HB3 GLN 50 2HB GLN 50 -14.353 -17.774 -13.813 385 HG2 GLN 50 1HG GLN 50 -13.628 -19.566 -15.388 386 HG3 GLN 50 2HG GLN 50 -13.024 -18.302 -16.457 387 HE21 GLN 50 2HE2 GLN 50 -11.822 -16.558 -14.860 388 HE22 GLN 50 1HE2 GLN 50 -10.526 -17.290 -13.984 389 H ASN 51 H ASN 51 -16.773 -18.606 -13.419 390 HA ASN 51 HA ASN 51 -18.121 -16.078 -12.823 391 HB2 ASN 51 1HB ASN 51 -20.210 -17.455 -12.266 392 HB3 ASN 51 2HB ASN 51 -19.865 -17.176 -13.971 393 HD21 ASN 51 2HD2 ASN 51 -19.985 -18.876 -15.235 394 HD22 ASN 51 1HD2 ASN 51 -19.822 -20.525 -14.744 395 HA PRO 52 HA PRO 52 -16.197 -18.226 -9.143 396 HB2 PRO 52 1HB PRO 52 -14.707 -16.098 -8.352 397 HB3 PRO 52 2HB PRO 52 -14.130 -17.294 -9.518 398 HG2 PRO 52 1HG PRO 52 -15.297 -14.581 -10.007 399 HG3 PRO 52 2HG PRO 52 -13.900 -15.354 -10.779 400 HD2 PRO 52 1HD PRO 52 -16.338 -15.245 -11.952 401 HD3 PRO 52 2HD PRO 52 -15.218 -16.599 -12.203 402 H THR 53 H THR 53 -15.857 -16.826 -6.890 403 HA THR 53 HA THR 53 -18.549 -15.801 -6.347 404 HB THR 53 HB THR 53 -16.955 -17.602 -4.950 405 HG1 THR 53 HG1 THR 53 -18.699 -17.472 -3.451 406 HG21 THR 53 3HG2 THR 53 -15.658 -15.665 -4.084 407 HG22 THR 53 1HG2 THR 53 -16.482 -16.575 -2.818 408 HG23 THR 53 2HG2 THR 53 -17.143 -15.036 -3.371 409 HA PRO 54 HA PRO 54 -17.240 -11.660 -5.699 410 HB2 PRO 54 1HB PRO 54 -18.865 -10.894 -3.663 411 HB3 PRO 54 2HB PRO 54 -19.446 -11.145 -5.314 412 HG2 PRO 54 1HG PRO 54 -19.599 -12.979 -2.953 413 HG3 PRO 54 2HG PRO 54 -20.838 -12.612 -4.167 414 HD2 PRO 54 1HD PRO 54 -19.341 -14.867 -4.248 415 HD3 PRO 54 2HD PRO 54 -19.929 -14.057 -5.715 416 H GLU 55 H GLU 55 -17.729 -13.375 -2.605 417 HA GLU 55 HA GLU 55 -16.176 -11.824 -0.958 418 HB2 GLU 55 1HB GLU 55 -16.395 -14.840 -0.913 419 HB3 GLU 55 2HB GLU 55 -15.847 -13.836 0.423 420 HG2 GLU 55 1HG GLU 55 -18.122 -12.688 0.260 421 HG3 GLU 55 2HG GLU 55 -18.597 -14.057 -0.745 422 H GLU 56 H GLU 56 -15.149 -14.018 -3.444 423 HA GLU 56 HA GLU 56 -12.450 -14.299 -2.579 424 HB2 GLU 56 1HB GLU 56 -14.035 -15.024 -4.960 425 HB3 GLU 56 2HB GLU 56 -12.323 -14.754 -5.257 426 HG2 GLU 56 1HG GLU 56 -12.736 -17.089 -4.831 427 HG3 GLU 56 2HG GLU 56 -11.770 -16.397 -3.528 428 H LEU 57 H LEU 57 -13.994 -12.297 -5.086 429 HA LEU 57 HA LEU 57 -11.727 -10.972 -5.991 430 HG LEU 57 HG LEU 57 -14.733 -11.918 -6.814 431 HB2 LEU 57 1HB LEU 57 -14.447 -9.715 -5.729 432 HB3 LEU 57 2HB LEU 57 -13.189 -9.327 -6.900 433 HD11 LEU 57 1HD1 LEU 57 -15.000 -9.646 -8.771 434 HD12 LEU 57 2HD1 LEU 57 -16.088 -9.906 -7.408 435 HD13 LEU 57 3HD1 LEU 57 -15.971 -11.116 -8.686 436 HD21 LEU 57 3HD2 LEU 57 -12.279 -11.550 -7.860 437 HD22 LEU 57 1HD2 LEU 57 -13.278 -11.050 -9.225 438 HD23 LEU 57 2HD2 LEU 57 -13.475 -12.660 -8.532 439 H GLN 58 H GLN 58 -14.060 -9.846 -3.539 440 HA GLN 58 HA GLN 58 -12.700 -7.525 -2.809 441 HB2 GLN 58 1HB GLN 58 -14.945 -7.783 -2.082 442 HB3 GLN 58 2HB GLN 58 -14.589 -9.309 -1.284 443 HG2 GLN 58 1HG GLN 58 -14.886 -7.582 0.359 444 HG3 GLN 58 2HG GLN 58 -13.204 -8.109 0.351 445 HE21 GLN 58 2HE2 GLN 58 -11.821 -6.516 0.545 446 HE22 GLN 58 1HE2 GLN 58 -12.021 -4.905 -0.046 447 H GLU 59 H GLU 59 -12.084 -10.837 -2.021 448 HA GLU 59 HA GLU 59 -10.612 -10.534 0.342 449 HB2 GLU 59 1HB GLU 59 -11.418 -12.669 -1.010 450 HB3 GLU 59 2HB GLU 59 -9.785 -12.589 -1.656 451 HG2 GLU 59 1HG GLU 59 -9.912 -14.094 0.245 452 HG3 GLU 59 2HG GLU 59 -8.868 -12.715 0.590 453 H MET 60 H MET 60 -9.429 -10.777 -3.015 454 HA MET 60 HA MET 60 -6.738 -10.172 -2.323 455 HB2 MET 60 1HB MET 60 -8.194 -10.131 -4.969 456 HB3 MET 60 2HB MET 60 -6.465 -9.852 -4.805 457 HG2 MET 60 1HG MET 60 -6.352 -12.113 -3.671 458 HG3 MET 60 2HG MET 60 -8.002 -12.364 -4.236 459 HE1 MET 60 3HE MET 60 -5.389 -14.525 -6.053 460 HE2 MET 60 1HE MET 60 -4.230 -13.228 -5.759 461 HE3 MET 60 2HE MET 60 -5.299 -13.766 -4.463 462 H ILE 61 H ILE 61 -9.488 -8.261 -3.383 463 HA ILE 61 HA ILE 61 -8.091 -5.874 -3.947 464 HB ILE 61 HB ILE 61 -10.959 -6.312 -3.115 465 HG12 ILE 61 1HG1 ILE 61 -9.694 -5.764 -5.810 466 HG13 ILE 61 2HG1 ILE 61 -10.319 -7.318 -5.267 467 HG21 ILE 61 1HG2 ILE 61 -9.599 -3.812 -4.108 468 HG22 ILE 61 2HG2 ILE 61 -11.346 -4.024 -3.998 469 HG23 ILE 61 3HG2 ILE 61 -10.360 -4.058 -2.536 470 HD11 ILE 61 3HD1 ILE 61 -12.408 -5.484 -4.933 471 HD12 ILE 61 1HD1 ILE 61 -11.694 -5.141 -6.508 472 HD13 ILE 61 2HD1 ILE 61 -12.273 -6.766 -6.136 473 H ASP 62 H ASP 62 -9.039 -7.376 -0.991 474 HA ASP 62 HA ASP 62 -9.104 -5.090 0.673 475 HB2 ASP 62 1HB ASP 62 -9.969 -7.439 1.195 476 HB3 ASP 62 2HB ASP 62 -8.298 -7.854 1.568 477 H GLU 63 H GLU 63 -6.536 -7.484 0.067 478 HA GLU 63 HA GLU 63 -4.597 -6.092 1.623 479 HB2 GLU 63 1HB GLU 63 -4.766 -8.571 0.199 480 HB3 GLU 63 2HB GLU 63 -3.295 -7.738 -0.284 481 HG2 GLU 63 1HG GLU 63 -2.335 -7.953 1.750 482 HG3 GLU 63 2HG GLU 63 -3.869 -7.837 2.610 483 H VAL 64 H VAL 64 -5.744 -5.800 -1.607 484 HA VAL 64 HA VAL 64 -3.407 -4.452 -2.625 485 HB VAL 64 HB VAL 64 -6.182 -4.751 -3.778 486 HG11 VAL 64 1HG1 VAL 64 -4.359 -4.176 -5.816 487 HG12 VAL 64 2HG1 VAL 64 -5.642 -3.131 -5.203 488 HG13 VAL 64 3HG1 VAL 64 -4.013 -3.015 -4.535 489 HG21 VAL 64 3HG2 VAL 64 -5.485 -6.638 -4.798 490 HG22 VAL 64 1HG2 VAL 64 -3.852 -6.022 -5.052 491 HG23 VAL 64 2HG2 VAL 64 -4.312 -6.680 -3.482 492 H ASP 65 H ASP 65 -6.745 -3.475 -1.852 493 HA ASP 65 HA ASP 65 -6.355 -0.723 -2.303 494 HB2 ASP 65 1HB ASP 65 -8.537 -2.206 -1.895 495 HB3 ASP 65 2HB ASP 65 -8.335 -1.592 -0.256 496 H GLU 66 H GLU 66 -4.551 0.089 -1.304 497 HA GLU 66 HA GLU 66 -3.894 -0.397 1.415 498 HB2 GLU 66 1HB GLU 66 -2.996 1.872 -0.369 499 HB3 GLU 66 2HB GLU 66 -2.230 1.367 1.130 500 HG2 GLU 66 1HG GLU 66 -1.200 -0.395 0.177 501 HG3 GLU 66 2HG GLU 66 -2.533 -0.715 -0.932 502 H ASP 67 H ASP 67 -6.032 1.792 -0.157 503 HA ASP 67 HA ASP 67 -6.233 3.497 2.213 504 HB2 ASP 67 1HB ASP 67 -7.874 4.769 0.684 505 HB3 ASP 67 2HB ASP 67 -6.160 4.826 0.281 506 H GLY 68 H GLY 68 -7.612 0.720 0.986 507 HA2 GLY 68 1HA GLY 68 -9.497 -0.476 1.519 508 HA3 GLY 68 2HA GLY 68 -9.535 0.478 2.994 509 H SER 69 H SER 69 -9.894 1.591 -0.348 510 HA SER 69 HA SER 69 -12.239 3.090 0.350 511 HG SER 69 HG SER 69 -10.583 2.894 -3.357 512 HB2 SER 69 1HB SER 69 -12.248 3.625 -2.132 513 HB3 SER 69 2HB SER 69 -10.784 4.084 -1.261 514 H GLY 70 H GLY 70 -11.568 0.022 -1.163 515 HA2 GLY 70 1HA GLY 70 -13.207 -1.719 -1.163 516 HA3 GLY 70 2HA GLY 70 -14.461 -0.492 -1.254 517 H THR 71 H THR 71 -11.860 0.152 -3.316 518 HA THR 71 HA THR 71 -12.912 -1.368 -5.557 519 HB THR 71 HB THR 71 -13.227 0.607 -6.985 520 HG1 THR 71 HG1 THR 71 -12.894 2.095 -4.574 521 HG21 THR 71 3HG2 THR 71 -14.904 0.998 -4.522 522 HG22 THR 71 1HG2 THR 71 -15.087 -0.422 -5.552 523 HG23 THR 71 2HG2 THR 71 -15.367 1.189 -6.212 524 H VAL 72 H VAL 72 -11.570 -1.153 -7.498 525 HA VAL 72 HA VAL 72 -8.769 -0.707 -6.761 526 HB VAL 72 HB VAL 72 -10.087 -2.318 -8.925 527 HG11 VAL 72 1HG1 VAL 72 -8.442 -1.514 -10.275 528 HG12 VAL 72 2HG1 VAL 72 -7.374 -1.119 -8.926 529 HG13 VAL 72 3HG1 VAL 72 -7.529 -2.790 -9.471 530 HG21 VAL 72 3HG2 VAL 72 -8.784 -2.838 -6.403 531 HG22 VAL 72 1HG2 VAL 72 -9.727 -3.922 -7.426 532 HG23 VAL 72 2HG2 VAL 72 -7.999 -3.717 -7.715 533 H ASP 73 H ASP 73 -7.673 0.985 -7.498 534 HA ASP 73 HA ASP 73 -8.902 2.660 -9.564 535 HB2 ASP 73 1HB ASP 73 -6.699 3.229 -7.572 536 HB3 ASP 73 2HB ASP 73 -7.242 4.373 -8.797 537 H PHE 74 H PHE 74 -6.937 3.984 -10.712 538 HA PHE 74 HA PHE 74 -5.871 2.206 -12.591 539 HD1 PHE 74 HD1 PHE 74 -4.634 2.176 -14.205 540 HD2 PHE 74 HD2 PHE 74 -3.589 6.219 -13.382 541 HE1 PHE 74 HE1 PHE 74 -2.874 2.067 -15.921 542 HE2 PHE 74 HE2 PHE 74 -1.828 6.117 -15.097 543 HZ PHE 74 HZ PHE 74 -1.469 4.039 -16.369 544 HB2 PHE 74 1HB PHE 74 -6.226 4.553 -13.119 545 HB3 PHE 74 2HB PHE 74 -5.031 5.032 -11.918 546 H ASP 75 H ASP 75 -4.513 3.564 -9.651 547 HA ASP 75 HA ASP 75 -1.841 2.729 -10.090 548 HB2 ASP 75 1HB ASP 75 -2.702 4.458 -8.404 549 HB3 ASP 75 2HB ASP 75 -3.108 3.084 -7.378 550 H GLU 76 H GLU 76 -4.314 1.390 -7.888 551 HA GLU 76 HA GLU 76 -2.897 -0.928 -7.224 552 HB2 GLU 76 1HB GLU 76 -5.829 -0.253 -7.193 553 HB3 GLU 76 2HB GLU 76 -5.247 -1.836 -6.695 554 HG2 GLU 76 1HG GLU 76 -4.356 -1.061 -4.769 555 HG3 GLU 76 2HG GLU 76 -3.935 0.504 -5.463 556 H TRP 77 H TRP 77 -5.343 -0.374 -9.735 557 HA TRP 77 HA TRP 77 -5.629 -2.938 -10.706 558 HD1 TRP 77 HD1 TRP 77 -8.473 -2.741 -12.608 559 HE1 TRP 77 HE1 TRP 77 -8.444 -3.933 -14.890 560 HE3 TRP 77 HE3 TRP 77 -3.801 -1.380 -14.176 561 HZ2 TRP 77 HZ2 TRP 77 -6.675 -4.254 -17.065 562 HZ3 TRP 77 HZ3 TRP 77 -3.016 -2.172 -16.369 563 HH2 TRP 77 HH2 TRP 77 -4.424 -3.579 -17.782 564 HB2 TRP 77 1HB TRP 77 -6.945 -0.975 -11.464 565 HB3 TRP 77 2HB TRP 77 -5.540 -0.409 -12.365 566 H LEU 78 H LEU 78 -3.144 -0.549 -11.532 567 HA LEU 78 HA LEU 78 -1.858 -2.148 -13.489 568 HG LEU 78 HG LEU 78 -1.263 -0.192 -14.898 569 HB2 LEU 78 1HB LEU 78 -1.632 0.451 -12.545 570 HB3 LEU 78 2HB LEU 78 -0.096 -0.299 -12.117 571 HD11 LEU 78 1HD1 LEU 78 0.180 1.567 -15.384 572 HD12 LEU 78 2HD1 LEU 78 1.150 1.300 -13.935 573 HD13 LEU 78 3HD1 LEU 78 -0.467 1.990 -13.798 574 HD21 LEU 78 3HD2 LEU 78 0.103 -2.012 -15.025 575 HD22 LEU 78 1HD2 LEU 78 1.134 -1.472 -13.699 576 HD23 LEU 78 2HD2 LEU 78 1.296 -0.740 -15.296 577 H VAL 79 H VAL 79 -1.308 -1.637 -10.032 578 HA VAL 79 HA VAL 79 1.065 -3.129 -9.812 579 HB VAL 79 HB VAL 79 -1.039 -2.818 -7.669 580 HG11 VAL 79 1HG1 VAL 79 1.116 -4.375 -7.548 581 HG12 VAL 79 2HG1 VAL 79 1.870 -2.843 -7.101 582 HG13 VAL 79 3HG1 VAL 79 0.523 -3.474 -6.153 583 HG21 VAL 79 3HG2 VAL 79 1.025 -0.938 -7.316 584 HG22 VAL 79 1HG2 VAL 79 0.515 -0.815 -9.000 585 HG23 VAL 79 2HG2 VAL 79 -0.667 -0.627 -7.705 586 H MET 80 H MET 80 -2.321 -4.068 -9.748 587 HA MET 80 HA MET 80 -2.174 -6.615 -8.706 588 HB2 MET 80 1HB MET 80 -3.911 -5.445 -10.868 589 HB3 MET 80 2HB MET 80 -4.098 -7.113 -10.343 590 HG2 MET 80 1HG MET 80 -4.320 -6.149 -7.985 591 HG3 MET 80 2HG MET 80 -4.554 -4.597 -8.787 592 HE1 MET 80 3HE MET 80 -7.560 -5.052 -10.959 593 HE2 MET 80 1HE MET 80 -5.812 -4.885 -11.132 594 HE3 MET 80 2HE MET 80 -6.590 -6.427 -11.491 595 H MET 81 H MET 81 -1.871 -5.718 -12.147 596 HA MET 81 HA MET 81 -1.246 -8.294 -13.072 597 HB2 MET 81 1HB MET 81 -1.625 -5.780 -14.209 598 HB3 MET 81 2HB MET 81 0.038 -6.190 -14.611 599 HG2 MET 81 1HG MET 81 -0.589 -7.693 -16.121 600 HG3 MET 81 2HG MET 81 -1.779 -8.409 -15.036 601 HE1 MET 81 3HE MET 81 -4.937 -6.321 -15.587 602 HE2 MET 81 1HE MET 81 -3.978 -7.279 -14.458 603 HE3 MET 81 2HE MET 81 -3.707 -5.541 -14.589 604 H ALA 82 H ALA 82 0.793 -5.659 -11.909 605 HA ALA 82 HA ALA 82 3.293 -6.636 -12.622 606 HB1 ALA 82 1HB ALA 82 3.042 -5.339 -9.969 607 HB2 ALA 82 2HB ALA 82 4.153 -5.003 -11.297 608 HB3 ALA 82 3HB ALA 82 2.487 -4.429 -11.374 609 H ARG 83 H ARG 83 1.102 -7.721 -10.167 610 HA ARG 83 HA ARG 83 2.912 -9.062 -8.481 611 HE ARG 83 HE ARG 83 -0.327 -6.748 -5.676 612 HB2 ARG 83 1HB ARG 83 0.026 -9.746 -9.075 613 HB3 ARG 83 2HB ARG 83 0.958 -10.326 -7.701 614 HG2 ARG 83 1HG ARG 83 1.260 -7.857 -7.100 615 HG3 ARG 83 2HG ARG 83 -0.048 -7.560 -8.247 616 HD2 ARG 83 1HD ARG 83 -1.584 -8.811 -6.984 617 HD3 ARG 83 2HD ARG 83 -0.308 -9.566 -6.030 618 HH11 ARG 83 1HH1 ARG 83 -1.984 -9.669 -4.759 619 HH12 ARG 83 2HH1 ARG 83 -2.553 -9.028 -3.253 620 HH21 ARG 83 1HH2 ARG 83 -1.069 -5.893 -3.695 621 HH22 ARG 83 2HH2 ARG 83 -2.032 -6.880 -2.649 622 H CYS 84 H CYS 84 1.635 -9.839 -11.598 623 HA CYS 84 HA CYS 84 2.074 -12.647 -11.507 624 HG CYS 84 HG CYS 84 1.903 -12.895 -15.576 625 HB2 CYS 84 1HB CYS 84 0.571 -11.436 -13.133 626 HB3 CYS 84 2HB CYS 84 2.022 -10.897 -13.969 627 H MET 85 H MET 85 4.164 -9.984 -11.755 628 HA MET 85 HA MET 85 6.225 -11.222 -13.304 629 HB2 MET 85 1HB MET 85 6.208 -8.806 -11.495 630 HB3 MET 85 2HB MET 85 7.628 -9.326 -12.393 631 HG2 MET 85 1HG MET 85 5.007 -8.701 -13.717 632 HG3 MET 85 2HG MET 85 6.249 -7.486 -13.425 633 HE1 MET 85 3HE MET 85 4.640 -9.616 -15.557 634 HE2 MET 85 1HE MET 85 5.641 -9.736 -17.004 635 HE3 MET 85 2HE MET 85 5.726 -10.991 -15.767 636 H LYS 86 H LYS 86 5.308 -11.227 -9.967 637 HA LYS 86 HA LYS 86 7.822 -12.062 -8.907 638 HB2 LYS 86 1HB LYS 86 5.664 -11.039 -7.748 639 HB3 LYS 86 2HB LYS 86 5.264 -12.738 -7.530 640 HG2 LYS 86 1HG LYS 86 6.364 -12.042 -5.563 641 HG3 LYS 86 2HG LYS 86 7.523 -13.023 -6.464 642 HD2 LYS 86 1HD LYS 86 8.094 -10.572 -7.444 643 HD3 LYS 86 2HD LYS 86 7.569 -10.147 -5.813 644 HE2 LYS 86 1HE LYS 86 9.755 -12.078 -6.575 645 HE3 LYS 86 2HE LYS 86 9.952 -10.501 -5.814 646 HZ1 LYS 86 3HZ LYS 86 10.136 -12.108 -4.117 647 HZ2 LYS 86 1HZ LYS 86 8.758 -12.942 -4.634 648 HZ3 LYS 86 2HZ LYS 86 8.605 -11.414 -3.927 649 H ASP 87 H ASP 87 5.590 -13.615 -10.833 650 HA ASP 87 HA ASP 87 5.741 -16.243 -9.707 651 HB2 ASP 87 1HB ASP 87 4.846 -15.244 -12.415 652 HB3 ASP 87 2HB ASP 87 4.761 -16.934 -11.923 653 H ASP 88 H ASP 88 7.889 -16.801 -9.469 654 HA ASP 88 HA ASP 88 9.243 -17.550 -11.946 655 HB2 ASP 88 1HB ASP 88 10.055 -15.263 -11.074 656 HB3 ASP 88 2HB ASP 88 10.804 -16.178 -9.768 657 H SER 89 H SER 89 10.396 -19.418 -11.803 658 HA SER 89 HA SER 89 10.014 -20.993 -9.408 659 HG SER 89 HG SER 89 9.625 -23.393 -10.468 660 HB2 SER 89 1HB SER 89 9.822 -21.785 -11.879 661 HB3 SER 89 2HB SER 89 11.580 -21.909 -11.805 Start of MODEL 11 1 HA MET 1 HA MET 1 3.896 1.069 -0.692 2 H1 MET 1 H MET 1 3.048 0.108 1.874 3 HB2 MET 1 1HB MET 1 5.160 0.842 2.014 4 HB3 MET 1 2HB MET 1 6.165 1.179 0.611 5 HG2 MET 1 1HG MET 1 4.613 3.109 0.124 6 HG3 MET 1 2HG MET 1 3.922 2.834 1.722 7 HE1 MET 1 3HE MET 1 4.999 3.397 3.923 8 HE2 MET 1 1HE MET 1 6.239 2.171 3.657 9 HE3 MET 1 2HE MET 1 6.701 3.796 4.162 10 H ASP 2 H ASP 2 3.404 -1.132 -1.664 11 HA ASP 2 HA ASP 2 5.334 -3.217 -1.179 12 HB2 ASP 2 1HB ASP 2 3.243 -2.947 -3.350 13 HB3 ASP 2 2HB ASP 2 4.181 -4.399 -3.009 14 H ASP 3 H ASP 3 7.227 -1.867 -1.610 15 HA ASP 3 HA ASP 3 7.774 -0.742 -4.130 16 HB2 ASP 3 1HB ASP 3 9.781 -1.827 -2.144 17 HB3 ASP 3 2HB ASP 3 10.082 -0.629 -3.400 18 H ILE 4 H ILE 4 7.863 -3.997 -2.988 19 HA ILE 4 HA ILE 4 9.696 -5.103 -4.814 20 HB ILE 4 HB ILE 4 8.964 -6.356 -2.869 21 HG12 ILE 4 1HG1 ILE 4 7.804 -8.105 -4.926 22 HG13 ILE 4 2HG1 ILE 4 9.339 -7.377 -5.387 23 HG21 ILE 4 1HG2 ILE 4 6.734 -7.262 -2.661 24 HG22 ILE 4 2HG2 ILE 4 6.648 -5.508 -2.822 25 HG23 ILE 4 3HG2 ILE 4 6.266 -6.540 -4.200 26 HD11 ILE 4 3HD1 ILE 4 9.097 -9.679 -4.014 27 HD12 ILE 4 1HD1 ILE 4 10.506 -8.622 -3.936 28 HD13 ILE 4 2HD1 ILE 4 9.262 -8.528 -2.689 29 H TYR 5 H TYR 5 6.246 -4.435 -5.041 30 HA TYR 5 HA TYR 5 6.025 -5.697 -7.636 31 HD1 TYR 5 HD2 TYR 5 4.917 -7.455 -7.341 32 HD2 TYR 5 HD1 TYR 5 2.871 -5.196 -4.372 33 HE1 TYR 5 HE2 TYR 5 4.336 -9.536 -6.166 34 HE2 TYR 5 HE1 TYR 5 2.286 -7.271 -3.188 35 HH TYR 5 HH TYR 5 2.578 -9.478 -3.087 36 HB2 TYR 5 1HB TYR 5 4.056 -4.074 -6.015 37 HB3 TYR 5 2HB TYR 5 3.681 -4.841 -7.554 38 H LYS 6 H LYS 6 5.943 -2.405 -6.319 39 HA LYS 6 HA LYS 6 5.491 -1.060 -8.741 40 HB2 LYS 6 1HB LYS 6 6.587 -0.302 -6.072 41 HB3 LYS 6 2HB LYS 6 6.818 0.816 -7.411 42 HG2 LYS 6 1HG LYS 6 4.854 1.530 -6.377 43 HG3 LYS 6 2HG LYS 6 4.303 0.621 -7.786 44 HD2 LYS 6 1HD LYS 6 2.984 -0.457 -6.327 45 HD3 LYS 6 2HD LYS 6 4.452 -1.328 -5.877 46 HE2 LYS 6 1HE LYS 6 3.280 1.105 -4.539 47 HE3 LYS 6 2HE LYS 6 3.400 -0.525 -3.877 48 HZ1 LYS 6 3HZ LYS 6 5.916 -0.174 -4.250 49 HZ2 LYS 6 1HZ LYS 6 5.176 0.544 -2.909 50 HZ3 LYS 6 2HZ LYS 6 5.525 1.472 -4.279 51 H ALA 7 H ALA 7 8.335 -2.514 -7.416 52 HA ALA 7 HA ALA 7 10.294 -1.079 -8.855 53 HB1 ALA 7 1HB ALA 7 11.544 -3.389 -8.513 54 HB2 ALA 7 2HB ALA 7 11.263 -2.273 -7.175 55 HB3 ALA 7 3HB ALA 7 10.203 -3.665 -7.400 56 H ALA 8 H ALA 8 8.976 -4.338 -9.485 57 HA ALA 8 HA ALA 8 10.161 -4.650 -12.006 58 HB1 ALA 8 1HB ALA 8 8.021 -6.241 -12.243 59 HB2 ALA 8 2HB ALA 8 9.437 -6.667 -11.282 60 HB3 ALA 8 3HB ALA 8 8.008 -5.995 -10.496 61 H VAL 9 H VAL 9 7.206 -3.072 -11.011 62 HA VAL 9 HA VAL 9 5.954 -2.908 -13.533 63 HB VAL 9 HB VAL 9 5.714 -1.083 -11.138 64 HG11 VAL 9 1HG1 VAL 9 4.397 -1.072 -13.792 65 HG12 VAL 9 2HG1 VAL 9 3.384 -0.755 -12.382 66 HG13 VAL 9 3HG1 VAL 9 4.784 0.267 -12.712 67 HG21 VAL 9 3HG2 VAL 9 5.016 -3.682 -11.267 68 HG22 VAL 9 1HG2 VAL 9 4.155 -2.485 -10.300 69 HG23 VAL 9 2HG2 VAL 9 3.546 -2.935 -11.893 70 H GLU 10 H GLU 10 8.139 -0.696 -11.823 71 HA GLU 10 HA GLU 10 8.084 1.351 -13.768 72 HB2 GLU 10 1HB GLU 10 9.634 0.719 -11.361 73 HB3 GLU 10 2HB GLU 10 10.548 1.599 -12.577 74 HG2 GLU 10 1HG GLU 10 7.929 2.748 -12.207 75 HG3 GLU 10 2HG GLU 10 8.815 2.658 -10.686 76 H GLN 11 H GLN 11 9.692 -1.685 -13.631 77 HA GLN 11 HA GLN 11 11.705 -0.970 -15.589 78 HB2 GLN 11 1HB GLN 11 11.027 -3.725 -14.562 79 HB3 GLN 11 2HB GLN 11 12.516 -3.212 -15.345 80 HG2 GLN 11 1HG GLN 11 12.309 -1.527 -13.169 81 HG3 GLN 11 2HG GLN 11 11.737 -3.079 -12.559 82 HE21 GLN 11 2HE2 GLN 11 13.356 -3.924 -11.449 83 HE22 GLN 11 1HE2 GLN 11 14.984 -4.087 -12.003 84 H LEU 12 H LEU 12 8.489 -1.650 -15.734 85 HA LEU 12 HA LEU 12 8.355 -3.434 -17.937 86 HG LEU 12 HG LEU 12 6.755 -3.331 -15.335 87 HB2 LEU 12 1HB LEU 12 6.386 -1.432 -16.850 88 HB3 LEU 12 2HB LEU 12 6.017 -2.556 -18.157 89 HD11 LEU 12 1HD1 LEU 12 4.627 -2.642 -14.996 90 HD12 LEU 12 2HD1 LEU 12 4.261 -4.232 -15.664 91 HD13 LEU 12 3HD1 LEU 12 4.184 -2.804 -16.695 92 HD21 LEU 12 3HD2 LEU 12 6.090 -4.913 -17.798 93 HD22 LEU 12 1HD2 LEU 12 5.861 -5.570 -16.178 94 HD23 LEU 12 2HD2 LEU 12 7.470 -5.084 -16.713 95 H THR 13 H THR 13 7.174 -2.678 -20.011 96 HA THR 13 HA THR 13 8.773 -0.504 -21.131 97 HB THR 13 HB THR 13 8.760 -2.657 -22.330 98 HG1 THR 13 HG1 THR 13 8.102 -1.711 -24.404 99 HG21 THR 13 3HG2 THR 13 6.900 -3.791 -22.857 100 HG22 THR 13 1HG2 THR 13 6.085 -2.346 -23.452 101 HG23 THR 13 2HG2 THR 13 6.074 -2.718 -21.728 102 H GLU 14 H GLU 14 7.696 0.932 -22.751 103 HA GLU 14 HA GLU 14 5.675 2.435 -21.590 104 HB2 GLU 14 1HB GLU 14 6.505 2.236 -24.488 105 HB3 GLU 14 2HB GLU 14 5.406 3.459 -23.866 106 HG2 GLU 14 1HG GLU 14 7.206 4.206 -22.325 107 HG3 GLU 14 2HG GLU 14 8.295 3.072 -23.124 108 H GLU 15 H GLU 15 5.474 -0.284 -23.790 109 HA GLU 15 HA GLU 15 2.766 -0.009 -24.520 110 HB2 GLU 15 1HB GLU 15 4.269 -2.614 -24.265 111 HB3 GLU 15 2HB GLU 15 2.900 -2.265 -25.311 112 HG2 GLU 15 1HG GLU 15 4.317 -0.645 -26.540 113 HG3 GLU 15 2HG GLU 15 5.685 -1.155 -25.552 114 H GLN 16 H GLN 16 4.345 -1.612 -21.806 115 HA GLN 16 HA GLN 16 2.107 -2.972 -20.795 116 HB2 GLN 16 1HB GLN 16 4.722 -2.078 -19.681 117 HB3 GLN 16 2HB GLN 16 3.474 -2.580 -18.549 118 HG2 GLN 16 1HG GLN 16 4.105 -4.348 -20.854 119 HG3 GLN 16 2HG GLN 16 5.225 -4.285 -19.494 120 HE21 GLN 16 2HE2 GLN 16 2.341 -5.572 -20.693 121 HE22 GLN 16 1HE2 GLN 16 1.811 -6.370 -19.255 122 H LYS 17 H LYS 17 3.498 0.151 -19.782 123 HA LYS 17 HA LYS 17 1.495 0.805 -17.936 124 HB2 LYS 17 1HB LYS 17 3.113 2.761 -19.573 125 HB3 LYS 17 2HB LYS 17 2.362 3.053 -18.010 126 HG2 LYS 17 1HG LYS 17 4.632 1.147 -18.547 127 HG3 LYS 17 2HG LYS 17 4.766 2.741 -17.800 128 HD2 LYS 17 1HD LYS 17 3.103 1.863 -16.063 129 HD3 LYS 17 2HD LYS 17 3.462 0.261 -16.713 130 HE2 LYS 17 1HE LYS 17 5.011 0.365 -15.035 131 HE3 LYS 17 2HE LYS 17 5.951 1.051 -16.360 132 HZ1 LYS 17 3HZ LYS 17 6.082 2.327 -14.257 133 HZ2 LYS 17 1HZ LYS 17 4.432 2.675 -14.395 134 HZ3 LYS 17 2HZ LYS 17 5.516 3.240 -15.564 135 H ASN 18 H ASN 18 1.760 1.424 -21.400 136 HA ASN 18 HA ASN 18 -0.503 3.112 -21.599 137 HB2 ASN 18 1HB ASN 18 0.960 3.254 -23.418 138 HB3 ASN 18 2HB ASN 18 1.092 1.504 -23.571 139 HD21 ASN 18 2HD2 ASN 18 0.013 0.621 -25.171 140 HD22 ASN 18 1HD2 ASN 18 -1.362 1.297 -25.969 141 H GLU 19 H GLU 19 -0.056 -0.377 -21.916 142 HA GLU 19 HA GLU 19 -2.671 -0.969 -22.807 143 HB2 GLU 19 1HB GLU 19 -0.406 -2.518 -21.657 144 HB3 GLU 19 2HB GLU 19 -1.998 -3.264 -21.616 145 HG2 GLU 19 1HG GLU 19 -2.076 -2.630 -24.130 146 HG3 GLU 19 2HG GLU 19 -0.325 -2.510 -23.967 147 H PHE 20 H PHE 20 -1.224 -0.771 -19.591 148 HA PHE 20 HA PHE 20 -3.480 -1.723 -18.171 149 HD1 PHE 20 HD1 PHE 20 -2.561 -3.370 -17.568 150 HD2 PHE 20 HD2 PHE 20 0.782 -0.940 -16.547 151 HE1 PHE 20 HE1 PHE 20 -1.139 -5.376 -17.462 152 HE2 PHE 20 HE2 PHE 20 2.209 -2.942 -16.441 153 HZ PHE 20 HZ PHE 20 1.249 -5.163 -16.899 154 HB2 PHE 20 1HB PHE 20 -1.212 0.060 -17.260 155 HB3 PHE 20 2HB PHE 20 -2.378 -0.710 -16.189 156 H LYS 21 H LYS 21 -2.329 1.552 -18.915 157 HA LYS 21 HA LYS 21 -4.475 2.874 -17.597 158 HB2 LYS 21 1HB LYS 21 -2.154 3.794 -18.290 159 HB3 LYS 21 2HB LYS 21 -2.899 4.074 -19.858 160 HG2 LYS 21 1HG LYS 21 -4.368 5.668 -19.016 161 HG3 LYS 21 2HG LYS 21 -4.153 5.123 -17.351 162 HD2 LYS 21 1HD LYS 21 -2.965 7.158 -17.529 163 HD3 LYS 21 2HD LYS 21 -1.746 5.882 -17.556 164 HE2 LYS 21 1HE LYS 21 -1.111 7.364 -19.261 165 HE3 LYS 21 2HE LYS 21 -1.892 6.022 -20.094 166 HZ1 LYS 21 3HZ LYS 21 -3.918 7.780 -19.560 167 HZ2 LYS 21 1HZ LYS 21 -3.161 7.550 -21.055 168 HZ3 LYS 21 2HZ LYS 21 -2.629 8.775 -20.019 169 H ALA 22 H ALA 22 -3.937 1.744 -20.880 170 HA ALA 22 HA ALA 22 -6.216 3.044 -22.005 171 HB1 ALA 22 1HB ALA 22 -4.769 0.632 -23.084 172 HB2 ALA 22 2HB ALA 22 -5.766 1.778 -23.981 173 HB3 ALA 22 3HB ALA 22 -4.222 2.294 -23.304 174 H ALA 23 H ALA 23 -5.572 -0.220 -20.788 175 HA ALA 23 HA ALA 23 -8.186 -1.201 -21.422 176 HB1 ALA 23 1HB ALA 23 -5.976 -2.519 -21.099 177 HB2 ALA 23 2HB ALA 23 -6.406 -2.480 -19.388 178 HB3 ALA 23 3HB ALA 23 -7.495 -3.231 -20.554 179 H PHE 24 H PHE 24 -6.747 0.454 -18.739 180 HA PHE 24 HA PHE 24 -8.627 -0.283 -16.750 181 HD1 PHE 24 HD1 PHE 24 -7.900 0.127 -14.073 182 HD2 PHE 24 HD2 PHE 24 -7.967 3.911 -16.020 183 HE1 PHE 24 HE1 PHE 24 -8.892 1.140 -12.062 184 HE2 PHE 24 HE2 PHE 24 -8.958 4.931 -14.012 185 HZ PHE 24 HZ PHE 24 -9.420 3.545 -12.029 186 HB2 PHE 24 1HB PHE 24 -6.499 0.637 -16.088 187 HB3 PHE 24 2HB PHE 24 -6.805 2.117 -16.990 188 H ASP 25 H ASP 25 -8.605 2.120 -19.271 189 HA ASP 25 HA ASP 25 -10.681 3.762 -18.265 190 HB2 ASP 25 1HB ASP 25 -9.166 4.545 -20.013 191 HB3 ASP 25 2HB ASP 25 -9.765 3.307 -21.113 192 H ILE 26 H ILE 26 -10.642 0.773 -20.058 193 HA ILE 26 HA ILE 26 -13.433 0.897 -20.770 194 HB ILE 26 HB ILE 26 -11.453 -1.377 -20.922 195 HG12 ILE 26 1HG1 ILE 26 -12.245 -0.645 -23.479 196 HG13 ILE 26 2HG1 ILE 26 -12.093 0.894 -22.638 197 HG21 ILE 26 1HG2 ILE 26 -13.140 -2.449 -22.394 198 HG22 ILE 26 2HG2 ILE 26 -13.662 -2.296 -20.717 199 HG23 ILE 26 3HG2 ILE 26 -14.283 -1.186 -21.938 200 HD11 ILE 26 3HD1 ILE 26 -9.805 -0.149 -21.864 201 HD12 ILE 26 1HD1 ILE 26 -10.018 -1.108 -23.328 202 HD13 ILE 26 2HD1 ILE 26 -9.976 0.653 -23.425 203 H PHE 27 H PHE 27 -11.522 -0.341 -18.151 204 HA PHE 27 HA PHE 27 -13.527 -2.114 -17.127 205 HD1 PHE 27 HD1 PHE 27 -11.064 -2.609 -18.542 206 HD2 PHE 27 HD2 PHE 27 -11.293 -3.979 -14.519 207 HE1 PHE 27 HE1 PHE 27 -10.283 -4.831 -19.257 208 HE2 PHE 27 HE2 PHE 27 -10.512 -6.202 -15.227 209 HZ PHE 27 HZ PHE 27 -10.005 -6.630 -17.599 210 HB2 PHE 27 1HB PHE 27 -10.886 -1.096 -16.162 211 HB3 PHE 27 2HB PHE 27 -11.980 -1.848 -15.006 212 H VAL 28 H VAL 28 -12.587 1.221 -16.576 213 HA VAL 28 HA VAL 28 -14.390 1.532 -14.332 214 HB VAL 28 HB VAL 28 -13.653 3.819 -14.235 215 HG11 VAL 28 1HG1 VAL 28 -11.921 1.596 -14.100 216 HG12 VAL 28 2HG1 VAL 28 -11.006 2.925 -14.814 217 HG13 VAL 28 3HG1 VAL 28 -11.788 3.133 -13.247 218 HG21 VAL 28 3HG2 VAL 28 -12.057 4.711 -15.927 219 HG22 VAL 28 1HG2 VAL 28 -12.371 3.280 -16.909 220 HG23 VAL 28 2HG2 VAL 28 -13.676 4.414 -16.560 221 H LEU 29 H LEU 29 -14.969 1.170 -17.475 222 HA LEU 29 HA LEU 29 -16.541 3.349 -18.254 223 HG LEU 29 HG LEU 29 -14.860 2.124 -20.121 224 HB2 LEU 29 1HB LEU 29 -16.372 0.484 -19.041 225 HB3 LEU 29 2HB LEU 29 -17.750 1.428 -19.603 226 HD11 LEU 29 1HD1 LEU 29 -15.025 1.166 -22.218 227 HD12 LEU 29 2HD1 LEU 29 -16.788 1.144 -22.185 228 HD13 LEU 29 3HD1 LEU 29 -15.874 0.000 -21.203 229 HD21 LEU 29 3HD2 LEU 29 -15.996 3.581 -21.883 230 HD22 LEU 29 1HD2 LEU 29 -16.090 4.116 -20.205 231 HD23 LEU 29 2HD2 LEU 29 -17.478 3.332 -20.959 232 H GLY 30 H GLY 30 -17.267 0.571 -16.245 233 HA2 GLY 30 1HA GLY 30 -20.097 0.907 -16.240 234 HA3 GLY 30 2HA GLY 30 -19.163 -0.037 -15.089 235 H ALA 31 H ALA 31 -17.496 2.147 -14.218 236 HA ALA 31 HA ALA 31 -19.235 3.232 -12.223 237 HB1 ALA 31 1HB ALA 31 -16.333 3.777 -12.831 238 HB2 ALA 31 2HB ALA 31 -17.199 4.389 -11.421 239 HB3 ALA 31 3HB ALA 31 -16.973 2.653 -11.632 240 H GLU 32 H GLU 32 -19.210 5.609 -11.711 241 HA GLU 32 HA GLU 32 -19.617 7.128 -14.196 242 HB2 GLU 32 1HB GLU 32 -20.773 7.566 -11.437 243 HB3 GLU 32 2HB GLU 32 -21.067 8.603 -12.826 244 HG2 GLU 32 1HG GLU 32 -22.476 7.125 -13.813 245 HG3 GLU 32 2HG GLU 32 -21.656 5.719 -13.136 246 H ASP 33 H ASP 33 -17.837 6.999 -11.236 247 HA ASP 33 HA ASP 33 -16.842 9.724 -11.543 248 HB2 ASP 33 1HB ASP 33 -16.193 7.646 -9.441 249 HB3 ASP 33 2HB ASP 33 -15.699 9.337 -9.411 250 H GLY 34 H GLY 34 -15.814 6.400 -11.943 251 HA2 GLY 34 1HA GLY 34 -14.120 6.085 -13.724 252 HA3 GLY 34 2HA GLY 34 -13.230 7.401 -12.974 253 H CYS 35 H CYS 35 -14.785 4.441 -11.735 254 HA CYS 35 HA CYS 35 -12.186 3.473 -10.833 255 HG CYS 35 HG CYS 35 -15.149 5.503 -8.218 256 HB2 CYS 35 1HB CYS 35 -13.200 2.978 -8.553 257 HB3 CYS 35 2HB CYS 35 -12.828 4.665 -8.886 258 H ILE 36 H ILE 36 -12.567 1.256 -9.662 259 HA ILE 36 HA ILE 36 -14.632 -0.227 -11.152 260 HB ILE 36 HB ILE 36 -11.825 -1.161 -10.541 261 HG12 ILE 36 1HG1 ILE 36 -12.877 -1.027 -13.312 262 HG13 ILE 36 2HG1 ILE 36 -12.529 0.513 -12.533 263 HG21 ILE 36 1HG2 ILE 36 -12.556 -3.094 -12.038 264 HG22 ILE 36 2HG2 ILE 36 -13.182 -3.066 -10.391 265 HG23 ILE 36 3HG2 ILE 36 -14.205 -2.550 -11.731 266 HD11 ILE 36 3HD1 ILE 36 -10.675 -1.686 -13.300 267 HD12 ILE 36 1HD1 ILE 36 -10.542 0.051 -13.577 268 HD13 ILE 36 2HD1 ILE 36 -10.251 -0.611 -11.968 269 H SER 37 H SER 37 -16.077 -1.029 -9.791 270 HA SER 37 HA SER 37 -15.379 -1.508 -7.011 271 HG SER 37 HG SER 37 -19.077 -2.043 -8.483 272 HB2 SER 37 1HB SER 37 -17.835 -1.987 -6.776 273 HB3 SER 37 2HB SER 37 -17.471 -0.375 -7.390 274 H THR 38 H THR 38 -15.381 -3.473 -5.995 275 HA THR 38 HA THR 38 -14.530 -5.726 -7.301 276 HB THR 38 HB THR 38 -14.252 -5.754 -4.977 277 HG1 THR 38 HG1 THR 38 -15.309 -7.678 -4.357 278 HG21 THR 38 3HG2 THR 38 -16.654 -5.916 -3.677 279 HG22 THR 38 1HG2 THR 38 -17.006 -4.754 -4.956 280 HG23 THR 38 2HG2 THR 38 -15.682 -4.452 -3.830 281 H LYS 39 H LYS 39 -17.823 -4.657 -6.767 282 HA LYS 39 HA LYS 39 -19.114 -7.074 -7.477 283 HB2 LYS 39 1HB LYS 39 -20.096 -5.030 -6.277 284 HB3 LYS 39 2HB LYS 39 -20.276 -4.323 -7.878 285 HG2 LYS 39 1HG LYS 39 -21.667 -6.252 -8.536 286 HG3 LYS 39 2HG LYS 39 -21.543 -6.870 -6.887 287 HD2 LYS 39 1HD LYS 39 -22.431 -4.500 -6.240 288 HD3 LYS 39 2HD LYS 39 -22.994 -4.466 -7.913 289 HE2 LYS 39 1HE LYS 39 -23.589 -6.815 -6.155 290 HE3 LYS 39 2HE LYS 39 -24.570 -5.354 -6.055 291 HZ1 LYS 39 3HZ LYS 39 -25.672 -5.995 -7.847 292 HZ2 LYS 39 1HZ LYS 39 -24.768 -7.424 -7.907 293 HZ3 LYS 39 2HZ LYS 39 -24.246 -6.057 -8.756 294 H GLU 40 H GLU 40 -18.193 -4.200 -9.335 295 HA GLU 40 HA GLU 40 -19.287 -5.224 -11.787 296 HB2 GLU 40 1HB GLU 40 -18.634 -2.726 -10.916 297 HB3 GLU 40 2HB GLU 40 -17.262 -3.091 -11.952 298 HG2 GLU 40 1HG GLU 40 -18.972 -1.922 -13.192 299 HG3 GLU 40 2HG GLU 40 -18.782 -3.564 -13.804 300 H LEU 41 H LEU 41 -16.193 -5.256 -10.182 301 HA LEU 41 HA LEU 41 -14.565 -5.919 -12.378 302 HG LEU 41 HG LEU 41 -12.785 -8.068 -10.395 303 HB2 LEU 41 1HB LEU 41 -13.579 -5.169 -10.331 304 HB3 LEU 41 2HB LEU 41 -14.292 -6.511 -9.438 305 HD11 LEU 41 1HD1 LEU 41 -12.321 -7.794 -12.560 306 HD12 LEU 41 2HD1 LEU 41 -11.010 -6.749 -12.013 307 HD13 LEU 41 3HD1 LEU 41 -12.557 -6.048 -12.484 308 HD21 LEU 41 3HD2 LEU 41 -11.492 -5.500 -9.541 309 HD22 LEU 41 1HD2 LEU 41 -10.535 -6.926 -9.942 310 HD23 LEU 41 2HD2 LEU 41 -11.707 -6.992 -8.625 311 H GLY 42 H GLY 42 -16.769 -7.793 -10.466 312 HA2 GLY 42 1HA GLY 42 -15.709 -10.363 -11.105 313 HA3 GLY 42 2HA GLY 42 -17.314 -10.030 -10.470 314 H LYS 43 H LYS 43 -18.128 -8.278 -12.593 315 HA LYS 43 HA LYS 43 -19.196 -10.165 -14.385 316 HB2 LYS 43 1HB LYS 43 -20.430 -8.438 -15.186 317 HB3 LYS 43 2HB LYS 43 -19.833 -7.628 -13.744 318 HG2 LYS 43 1HG LYS 43 -18.008 -6.652 -15.079 319 HG3 LYS 43 2HG LYS 43 -18.685 -7.415 -16.520 320 HD2 LYS 43 1HD LYS 43 -20.859 -6.179 -15.869 321 HD3 LYS 43 2HD LYS 43 -19.808 -5.189 -14.855 322 HE2 LYS 43 1HE LYS 43 -20.055 -4.077 -16.953 323 HE3 LYS 43 2HE LYS 43 -18.419 -4.730 -16.880 324 HZ1 LYS 43 3HZ LYS 43 -20.261 -5.130 -18.878 325 HZ2 LYS 43 1HZ LYS 43 -20.227 -6.597 -18.035 326 HZ3 LYS 43 2HZ LYS 43 -18.798 -5.956 -18.673 327 H VAL 44 H VAL 44 -16.392 -8.051 -14.576 328 HA VAL 44 HA VAL 44 -15.835 -8.429 -17.320 329 HB VAL 44 HB VAL 44 -13.913 -7.775 -15.082 330 HG11 VAL 44 1HG1 VAL 44 -13.489 -8.305 -17.862 331 HG12 VAL 44 2HG1 VAL 44 -13.111 -6.617 -17.517 332 HG13 VAL 44 3HG1 VAL 44 -12.311 -7.903 -16.613 333 HG21 VAL 44 3HG2 VAL 44 -15.672 -6.073 -16.822 334 HG22 VAL 44 1HG2 VAL 44 -15.530 -6.080 -15.064 335 HG23 VAL 44 2HG2 VAL 44 -14.223 -5.427 -16.052 336 H MET 45 H MET 45 -15.017 -10.255 -14.439 337 HA MET 45 HA MET 45 -12.966 -11.856 -15.350 338 HB2 MET 45 1HB MET 45 -15.250 -12.837 -13.636 339 HB3 MET 45 2HB MET 45 -13.601 -13.449 -13.668 340 HG2 MET 45 1HG MET 45 -14.539 -10.786 -12.636 341 HG3 MET 45 2HG MET 45 -13.887 -12.131 -11.703 342 HE1 MET 45 3HE MET 45 -11.289 -12.450 -14.444 343 HE2 MET 45 1HE MET 45 -10.255 -12.329 -13.020 344 HE3 MET 45 2HE MET 45 -11.745 -13.270 -12.950 345 H ARG 46 H ARG 46 -16.388 -12.037 -16.066 346 HA ARG 46 HA ARG 46 -16.516 -14.610 -17.141 347 HE ARG 46 HE ARG 46 -19.666 -15.624 -16.587 348 HB2 ARG 46 1HB ARG 46 -18.063 -12.156 -17.995 349 HB3 ARG 46 2HB ARG 46 -18.502 -13.821 -18.352 350 HG2 ARG 46 1HG ARG 46 -18.359 -13.997 -15.696 351 HG3 ARG 46 2HG ARG 46 -18.759 -12.284 -15.842 352 HD2 ARG 46 1HD ARG 46 -20.856 -13.216 -15.764 353 HD3 ARG 46 2HD ARG 46 -20.579 -13.159 -17.504 354 HH11 ARG 46 1HH1 ARG 46 -22.667 -13.881 -16.856 355 HH12 ARG 46 2HH1 ARG 46 -23.633 -15.310 -17.019 356 HH21 ARG 46 1HH2 ARG 46 -20.927 -17.513 -16.801 357 HH22 ARG 46 2HH2 ARG 46 -22.643 -17.375 -16.987 358 H MET 47 H MET 47 -15.437 -11.577 -18.548 359 HA MET 47 HA MET 47 -15.307 -12.463 -21.233 360 HB2 MET 47 1HB MET 47 -13.630 -10.312 -19.932 361 HB3 MET 47 2HB MET 47 -13.982 -10.484 -21.646 362 HG2 MET 47 1HG MET 47 -16.088 -9.997 -19.559 363 HG3 MET 47 2HG MET 47 -15.280 -8.713 -20.454 364 HE1 MET 47 3HE MET 47 -19.062 -9.526 -21.299 365 HE2 MET 47 1HE MET 47 -17.969 -8.680 -20.204 366 HE3 MET 47 2HE MET 47 -18.238 -8.061 -21.833 367 H LEU 48 H LEU 48 -13.070 -12.614 -18.532 368 HA LEU 48 HA LEU 48 -10.831 -13.474 -20.093 369 HG LEU 48 HG LEU 48 -9.445 -11.945 -17.023 370 HB2 LEU 48 1HB LEU 48 -11.430 -13.416 -17.153 371 HB3 LEU 48 2HB LEU 48 -9.959 -14.156 -17.780 372 HD11 LEU 48 1HD1 LEU 48 -8.144 -11.437 -18.774 373 HD12 LEU 48 2HD1 LEU 48 -9.510 -11.308 -19.881 374 HD13 LEU 48 3HD1 LEU 48 -8.832 -12.890 -19.498 375 HD21 LEU 48 3HD2 LEU 48 -10.610 -10.017 -17.550 376 HD22 LEU 48 1HD2 LEU 48 -11.905 -11.202 -17.375 377 HD23 LEU 48 2HD2 LEU 48 -11.352 -10.732 -18.982 378 H GLY 49 H GLY 49 -13.534 -15.031 -18.580 379 HA2 GLY 49 1HA GLY 49 -14.138 -17.230 -19.450 380 HA3 GLY 49 2HA GLY 49 -12.429 -17.636 -19.424 381 H GLN 50 H GLN 50 -13.543 -15.837 -16.742 382 HA GLN 50 HA GLN 50 -13.950 -18.268 -15.151 383 HB2 GLN 50 1HB GLN 50 -12.436 -17.585 -13.453 384 HB3 GLN 50 2HB GLN 50 -11.569 -17.443 -14.976 385 HG2 GLN 50 1HG GLN 50 -12.628 -14.952 -14.720 386 HG3 GLN 50 2HG GLN 50 -12.327 -15.389 -13.039 387 HE21 GLN 50 2HE2 GLN 50 -10.789 -15.313 -16.221 388 HE22 GLN 50 1HE2 GLN 50 -9.200 -14.963 -15.641 389 H ASN 51 H ASN 51 -15.228 -18.008 -13.296 390 HA ASN 51 HA ASN 51 -16.440 -15.378 -12.864 391 HB2 ASN 51 1HB ASN 51 -18.692 -16.641 -12.664 392 HB3 ASN 51 2HB ASN 51 -18.084 -16.265 -14.274 393 HD21 ASN 51 2HD2 ASN 51 -18.092 -17.858 -15.676 394 HD22 ASN 51 1HD2 ASN 51 -18.105 -19.545 -15.302 395 HA PRO 52 HA PRO 52 -15.324 -17.673 -8.958 396 HB2 PRO 52 1HB PRO 52 -13.912 -15.629 -7.864 397 HB3 PRO 52 2HB PRO 52 -13.188 -16.828 -8.942 398 HG2 PRO 52 1HG PRO 52 -14.139 -14.057 -9.557 399 HG3 PRO 52 2HG PRO 52 -12.661 -14.877 -10.093 400 HD2 PRO 52 1HD PRO 52 -14.848 -14.638 -11.671 401 HD3 PRO 52 2HD PRO 52 -13.757 -16.036 -11.757 402 H THR 53 H THR 53 -15.822 -17.001 -6.711 403 HA THR 53 HA THR 53 -18.391 -15.991 -6.448 404 HB THR 53 HB THR 53 -17.489 -15.515 -3.973 405 HG1 THR 53 HG1 THR 53 -15.793 -17.273 -3.742 406 HG21 THR 53 3HG2 THR 53 -18.559 -17.429 -3.473 407 HG22 THR 53 1HG2 THR 53 -17.523 -18.395 -4.523 408 HG23 THR 53 2HG2 THR 53 -18.890 -17.512 -5.203 409 HA PRO 54 HA PRO 54 -18.142 -11.610 -6.417 410 HB2 PRO 54 1HB PRO 54 -19.852 -10.936 -4.419 411 HB3 PRO 54 2HB PRO 54 -20.397 -11.577 -5.974 412 HG2 PRO 54 1HG PRO 54 -20.037 -12.995 -3.362 413 HG3 PRO 54 2HG PRO 54 -21.359 -13.130 -4.536 414 HD2 PRO 54 1HD PRO 54 -19.360 -14.949 -4.377 415 HD3 PRO 54 2HD PRO 54 -20.165 -14.546 -5.907 416 H GLU 55 H GLU 55 -18.034 -12.954 -3.117 417 HA GLU 55 HA GLU 55 -16.729 -10.734 -1.956 418 HB2 GLU 55 1HB GLU 55 -16.683 -13.609 -1.022 419 HB3 GLU 55 2HB GLU 55 -16.324 -12.189 -0.049 420 HG2 GLU 55 1HG GLU 55 -18.590 -11.448 -0.168 421 HG3 GLU 55 2HG GLU 55 -18.991 -12.705 -1.337 422 H GLU 56 H GLU 56 -15.585 -13.476 -3.747 423 HA GLU 56 HA GLU 56 -12.921 -13.568 -2.912 424 HB2 GLU 56 1HB GLU 56 -14.496 -14.622 -5.097 425 HB3 GLU 56 2HB GLU 56 -12.901 -14.136 -5.656 426 HG2 GLU 56 1HG GLU 56 -13.459 -16.008 -3.366 427 HG3 GLU 56 2HG GLU 56 -12.968 -16.484 -4.991 428 H LEU 57 H LEU 57 -14.490 -11.584 -5.382 429 HA LEU 57 HA LEU 57 -12.249 -10.426 -6.539 430 HG LEU 57 HG LEU 57 -15.138 -9.425 -8.589 431 HB2 LEU 57 1HB LEU 57 -15.054 -9.477 -6.111 432 HB3 LEU 57 2HB LEU 57 -13.856 -8.413 -6.845 433 HD11 LEU 57 1HD1 LEU 57 -12.586 -10.999 -8.564 434 HD12 LEU 57 2HD1 LEU 57 -12.589 -9.246 -8.761 435 HD13 LEU 57 3HD1 LEU 57 -13.426 -10.267 -9.931 436 HD21 LEU 57 3HD2 LEU 57 -15.984 -11.344 -7.325 437 HD22 LEU 57 1HD2 LEU 57 -14.387 -12.090 -7.391 438 HD23 LEU 57 2HD2 LEU 57 -15.304 -11.837 -8.877 439 H GLN 58 H GLN 58 -14.179 -9.205 -3.803 440 HA GLN 58 HA GLN 58 -12.571 -6.964 -3.274 441 HB2 GLN 58 1HB GLN 58 -14.762 -7.022 -2.347 442 HB3 GLN 58 2HB GLN 58 -14.456 -8.554 -1.541 443 HG2 GLN 58 1HG GLN 58 -14.458 -6.760 0.064 444 HG3 GLN 58 2HG GLN 58 -12.840 -7.447 -0.070 445 HE21 GLN 58 2HE2 GLN 58 -11.291 -6.000 -0.075 446 HE22 GLN 58 1HE2 GLN 58 -11.394 -4.389 -0.689 447 H GLU 59 H GLU 59 -12.188 -10.314 -2.505 448 HA GLU 59 HA GLU 59 -10.480 -10.130 -0.290 449 HB2 GLU 59 1HB GLU 59 -11.613 -12.199 -1.398 450 HB3 GLU 59 2HB GLU 59 -10.151 -12.264 -2.373 451 HG2 GLU 59 1HG GLU 59 -8.803 -12.442 -0.346 452 HG3 GLU 59 2HG GLU 59 -10.268 -12.376 0.633 453 H MET 60 H MET 60 -9.658 -10.509 -3.740 454 HA MET 60 HA MET 60 -6.867 -10.184 -3.329 455 HB2 MET 60 1HB MET 60 -8.601 -10.023 -5.791 456 HB3 MET 60 2HB MET 60 -6.855 -9.819 -5.846 457 HG2 MET 60 1HG MET 60 -6.510 -12.047 -5.035 458 HG3 MET 60 2HG MET 60 -8.238 -12.260 -4.764 459 HE1 MET 60 3HE MET 60 -7.466 -14.747 -7.525 460 HE2 MET 60 1HE MET 60 -7.527 -14.421 -5.793 461 HE3 MET 60 2HE MET 60 -9.007 -14.370 -6.752 462 H ILE 61 H ILE 61 -9.503 -7.982 -3.790 463 HA ILE 61 HA ILE 61 -7.877 -5.740 -4.552 464 HB ILE 61 HB ILE 61 -10.746 -5.934 -3.643 465 HG12 ILE 61 1HG1 ILE 61 -9.477 -5.366 -6.331 466 HG13 ILE 61 2HG1 ILE 61 -10.285 -6.857 -5.862 467 HG21 ILE 61 1HG2 ILE 61 -9.927 -3.784 -2.946 468 HG22 ILE 61 2HG2 ILE 61 -9.189 -3.509 -4.523 469 HG23 ILE 61 3HG2 ILE 61 -10.945 -3.570 -4.370 470 HD11 ILE 61 3HD1 ILE 61 -11.746 -5.545 -7.237 471 HD12 ILE 61 1HD1 ILE 61 -12.382 -5.588 -5.593 472 HD13 ILE 61 2HD1 ILE 61 -11.550 -4.147 -6.180 473 H ASP 62 H ASP 62 -8.865 -7.203 -1.589 474 HA ASP 62 HA ASP 62 -8.536 -4.917 0.085 475 HB2 ASP 62 1HB ASP 62 -9.804 -7.142 0.553 476 HB3 ASP 62 2HB ASP 62 -8.226 -7.741 1.059 477 H GLU 63 H GLU 63 -6.438 -7.535 -0.981 478 HA GLU 63 HA GLU 63 -4.275 -6.881 0.757 479 HB2 GLU 63 1HB GLU 63 -4.808 -8.801 -1.379 480 HB3 GLU 63 2HB GLU 63 -3.152 -8.209 -1.393 481 HG2 GLU 63 1HG GLU 63 -3.674 -10.316 -0.046 482 HG3 GLU 63 2HG GLU 63 -2.691 -9.064 0.713 483 H VAL 64 H VAL 64 -5.192 -5.964 -2.507 484 HA VAL 64 HA VAL 64 -2.722 -4.561 -3.014 485 HB VAL 64 HB VAL 64 -3.747 -3.853 -5.103 486 HG11 VAL 64 1HG1 VAL 64 -2.987 -5.861 -5.717 487 HG12 VAL 64 2HG1 VAL 64 -3.591 -6.632 -4.249 488 HG13 VAL 64 3HG1 VAL 64 -4.665 -6.393 -5.627 489 HG21 VAL 64 3HG2 VAL 64 -6.253 -4.963 -3.871 490 HG22 VAL 64 1HG2 VAL 64 -5.972 -3.352 -4.531 491 HG23 VAL 64 2HG2 VAL 64 -6.080 -4.742 -5.612 492 H ASP 65 H ASP 65 -5.974 -3.773 -1.961 493 HA ASP 65 HA ASP 65 -5.702 -0.948 -2.225 494 HB2 ASP 65 1HB ASP 65 -7.892 -2.134 -2.148 495 HB3 ASP 65 2HB ASP 65 -7.601 -2.494 -0.448 496 H GLU 66 H GLU 66 -3.581 -0.723 -1.220 497 HA GLU 66 HA GLU 66 -3.188 -1.253 1.544 498 HB2 GLU 66 1HB GLU 66 -1.151 0.089 1.307 499 HB3 GLU 66 2HB GLU 66 -1.309 -1.069 -0.006 500 HG2 GLU 66 1HG GLU 66 -0.674 0.791 -1.159 501 HG3 GLU 66 2HG GLU 66 -2.428 0.945 -1.244 502 H ASP 67 H ASP 67 -4.742 1.268 -0.176 503 HA ASP 67 HA ASP 67 -4.573 3.139 2.056 504 HB2 ASP 67 1HB ASP 67 -5.975 4.589 0.482 505 HB3 ASP 67 2HB ASP 67 -4.326 4.228 -0.024 506 H GLY 68 H GLY 68 -6.471 0.562 1.164 507 HA2 GLY 68 1HA GLY 68 -8.555 -0.182 1.783 508 HA3 GLY 68 2HA GLY 68 -8.306 0.799 3.219 509 H SER 69 H SER 69 -8.641 1.866 -0.140 510 HA SER 69 HA SER 69 -10.535 3.872 0.601 511 HG SER 69 HG SER 69 -9.237 3.069 -3.170 512 HB2 SER 69 1HB SER 69 -10.685 4.199 -1.923 513 HB3 SER 69 2HB SER 69 -9.087 4.411 -1.206 514 H GLY 70 H GLY 70 -10.726 0.637 -0.685 515 HA2 GLY 70 1HA GLY 70 -12.725 -0.656 -0.354 516 HA3 GLY 70 2HA GLY 70 -13.660 0.822 -0.527 517 H THR 71 H THR 71 -11.330 0.966 -2.831 518 HA THR 71 HA THR 71 -12.664 -0.705 -4.802 519 HB THR 71 HB THR 71 -12.488 1.619 -6.245 520 HG1 THR 71 HG1 THR 71 -13.702 3.116 -4.833 521 HG21 THR 71 3HG2 THR 71 -14.770 1.410 -6.498 522 HG22 THR 71 1HG2 THR 71 -15.030 1.012 -4.800 523 HG23 THR 71 2HG2 THR 71 -14.353 -0.194 -5.894 524 H VAL 72 H VAL 72 -11.544 -0.517 -6.971 525 HA VAL 72 HA VAL 72 -8.652 -0.302 -6.505 526 HB VAL 72 HB VAL 72 -10.299 -1.937 -8.399 527 HG11 VAL 72 1HG1 VAL 72 -8.089 -2.572 -9.484 528 HG12 VAL 72 2HG1 VAL 72 -8.767 -1.003 -9.924 529 HG13 VAL 72 3HG1 VAL 72 -7.437 -1.098 -8.769 530 HG21 VAL 72 3HG2 VAL 72 -8.637 -2.381 -6.077 531 HG22 VAL 72 1HG2 VAL 72 -9.778 -3.468 -6.869 532 HG23 VAL 72 2HG2 VAL 72 -8.113 -3.369 -7.441 533 H ASP 73 H ASP 73 -7.673 1.447 -7.256 534 HA ASP 73 HA ASP 73 -8.920 2.984 -9.411 535 HB2 ASP 73 1HB ASP 73 -7.920 3.860 -7.079 536 HB3 ASP 73 2HB ASP 73 -6.465 3.973 -8.065 537 H PHE 74 H PHE 74 -7.034 4.224 -10.710 538 HA PHE 74 HA PHE 74 -5.971 2.352 -12.481 539 HD1 PHE 74 HD1 PHE 74 -4.779 2.261 -14.160 540 HD2 PHE 74 HD2 PHE 74 -3.662 6.307 -13.458 541 HE1 PHE 74 HE1 PHE 74 -3.021 2.069 -15.872 542 HE2 PHE 74 HE2 PHE 74 -1.904 6.123 -15.168 543 HZ PHE 74 HZ PHE 74 -1.582 4.002 -16.379 544 HB2 PHE 74 1HB PHE 74 -6.337 4.654 -13.150 545 HB3 PHE 74 2HB PHE 74 -5.145 5.218 -11.984 546 H ASP 75 H ASP 75 -4.631 3.771 -9.584 547 HA ASP 75 HA ASP 75 -1.940 2.945 -10.040 548 HB2 ASP 75 1HB ASP 75 -3.175 3.485 -7.343 549 HB3 ASP 75 2HB ASP 75 -1.494 3.686 -7.830 550 H GLU 76 H GLU 76 -4.375 1.764 -7.710 551 HA GLU 76 HA GLU 76 -2.958 -0.525 -6.944 552 HB2 GLU 76 1HB GLU 76 -5.953 -0.109 -6.969 553 HB3 GLU 76 2HB GLU 76 -5.094 -1.340 -6.052 554 HG2 GLU 76 1HG GLU 76 -4.287 0.161 -4.522 555 HG3 GLU 76 2HG GLU 76 -4.378 1.519 -5.642 556 H TRP 77 H TRP 77 -5.244 0.021 -9.563 557 HA TRP 77 HA TRP 77 -5.620 -2.658 -10.325 558 HD1 TRP 77 HD1 TRP 77 -8.614 -2.578 -11.802 559 HE1 TRP 77 HE1 TRP 77 -8.884 -3.979 -13.945 560 HE3 TRP 77 HE3 TRP 77 -4.215 -1.380 -14.114 561 HZ2 TRP 77 HZ2 TRP 77 -7.424 -4.507 -16.302 562 HZ3 TRP 77 HZ3 TRP 77 -3.727 -2.377 -16.311 563 HH2 TRP 77 HH2 TRP 77 -5.300 -3.908 -17.380 564 HB2 TRP 77 1HB TRP 77 -6.970 -0.664 -11.091 565 HB3 TRP 77 2HB TRP 77 -5.643 -0.274 -12.182 566 H LEU 78 H LEU 78 -3.171 -0.281 -11.219 567 HA LEU 78 HA LEU 78 -1.954 -1.786 -13.271 568 HG LEU 78 HG LEU 78 -1.109 -0.227 -14.577 569 HB2 LEU 78 1HB LEU 78 -1.614 0.721 -12.134 570 HB3 LEU 78 2HB LEU 78 -0.103 -0.118 -11.788 571 HD11 LEU 78 1HD1 LEU 78 -0.559 1.934 -15.160 572 HD12 LEU 78 2HD1 LEU 78 0.404 2.196 -13.706 573 HD13 LEU 78 3HD1 LEU 78 -1.357 2.171 -13.605 574 HD21 LEU 78 3HD2 LEU 78 0.899 -1.354 -14.269 575 HD22 LEU 78 1HD2 LEU 78 1.528 -0.136 -13.159 576 HD23 LEU 78 2HD2 LEU 78 1.415 0.217 -14.883 577 H VAL 79 H VAL 79 -1.007 -1.338 -9.863 578 HA VAL 79 HA VAL 79 1.139 -3.152 -9.903 579 HB VAL 79 HB VAL 79 0.939 -1.546 -8.110 580 HG11 VAL 79 1HG1 VAL 79 -0.795 -1.782 -6.370 581 HG12 VAL 79 2HG1 VAL 79 -1.470 -1.390 -7.953 582 HG13 VAL 79 3HG1 VAL 79 -1.564 -3.040 -7.337 583 HG21 VAL 79 3HG2 VAL 79 1.930 -3.916 -7.770 584 HG22 VAL 79 1HG2 VAL 79 1.657 -2.890 -6.362 585 HG23 VAL 79 2HG2 VAL 79 0.517 -4.178 -6.748 586 H MET 80 H MET 80 -2.301 -3.599 -9.432 587 HA MET 80 HA MET 80 -2.375 -6.104 -8.261 588 HB2 MET 80 1HB MET 80 -4.409 -4.888 -8.554 589 HB3 MET 80 2HB MET 80 -4.203 -4.837 -10.299 590 HG2 MET 80 1HG MET 80 -4.812 -7.052 -10.568 591 HG3 MET 80 2HG MET 80 -4.462 -7.455 -8.889 592 HE1 MET 80 3HE MET 80 -7.909 -4.833 -10.286 593 HE2 MET 80 1HE MET 80 -6.817 -4.084 -9.121 594 HE3 MET 80 2HE MET 80 -6.191 -4.682 -10.658 595 H MET 81 H MET 81 -2.124 -5.284 -11.708 596 HA MET 81 HA MET 81 -2.100 -7.963 -12.626 597 HB2 MET 81 1HB MET 81 -2.370 -5.588 -13.856 598 HB3 MET 81 2HB MET 81 -0.674 -5.895 -14.204 599 HG2 MET 81 1HG MET 81 -1.938 -6.720 -16.028 600 HG3 MET 81 2HG MET 81 -1.343 -8.112 -15.126 601 HE1 MET 81 3HE MET 81 -3.970 -5.548 -15.300 602 HE2 MET 81 1HE MET 81 -5.410 -6.449 -15.778 603 HE3 MET 81 2HE MET 81 -5.082 -6.152 -14.071 604 H ALA 82 H ALA 82 0.465 -5.666 -11.813 605 HA ALA 82 HA ALA 82 2.669 -7.122 -12.680 606 HB1 ALA 82 1HB ALA 82 3.390 -5.825 -10.269 607 HB2 ALA 82 2HB ALA 82 3.675 -5.295 -11.928 608 HB3 ALA 82 3HB ALA 82 2.202 -4.811 -11.088 609 H ARG 83 H ARG 83 0.584 -7.648 -9.973 610 HA ARG 83 HA ARG 83 2.299 -9.153 -8.329 611 HE ARG 83 HE ARG 83 -0.133 -11.160 -4.488 612 HB2 ARG 83 1HB ARG 83 -0.043 -8.199 -7.819 613 HB3 ARG 83 2HB ARG 83 -0.654 -9.671 -8.562 614 HG2 ARG 83 1HG ARG 83 0.243 -11.030 -6.890 615 HG3 ARG 83 2HG ARG 83 1.337 -9.765 -6.326 616 HD2 ARG 83 1HD ARG 83 -0.371 -8.594 -5.260 617 HD3 ARG 83 2HD ARG 83 -1.631 -9.392 -6.199 618 HH11 ARG 83 1HH1 ARG 83 -2.868 -9.020 -4.734 619 HH12 ARG 83 2HH1 ARG 83 -3.735 -9.767 -3.433 620 HH21 ARG 83 1HH2 ARG 83 -1.264 -12.152 -2.774 621 HH22 ARG 83 2HH2 ARG 83 -2.821 -11.547 -2.318 622 H CYS 84 H CYS 84 0.649 -9.918 -11.266 623 HA CYS 84 HA CYS 84 0.630 -12.745 -10.985 624 HG CYS 84 HG CYS 84 -1.122 -13.993 -13.269 625 HB2 CYS 84 1HB CYS 84 -0.799 -11.469 -12.589 626 HB3 CYS 84 2HB CYS 84 0.641 -11.130 -13.542 627 H MET 85 H MET 85 3.088 -10.479 -11.668 628 HA MET 85 HA MET 85 4.790 -12.203 -13.191 629 HB2 MET 85 1HB MET 85 5.303 -9.623 -11.710 630 HB3 MET 85 2HB MET 85 6.539 -10.466 -12.633 631 HG2 MET 85 1HG MET 85 3.935 -9.584 -13.837 632 HG3 MET 85 2HG MET 85 5.368 -8.558 -13.791 633 HE1 MET 85 3HE MET 85 6.251 -8.516 -16.666 634 HE2 MET 85 1HE MET 85 5.038 -9.522 -17.456 635 HE3 MET 85 2HE MET 85 4.563 -8.421 -16.163 636 H LYS 86 H LYS 86 4.067 -11.842 -9.865 637 HA LYS 86 HA LYS 86 6.537 -12.809 -8.810 638 HB2 LYS 86 1HB LYS 86 4.544 -11.510 -7.664 639 HB3 LYS 86 2HB LYS 86 3.955 -13.135 -7.340 640 HG2 LYS 86 1HG LYS 86 5.150 -12.696 -5.436 641 HG3 LYS 86 2HG LYS 86 6.362 -13.522 -6.418 642 HD2 LYS 86 1HD LYS 86 6.703 -10.929 -7.186 643 HD3 LYS 86 2HD LYS 86 6.255 -10.740 -5.489 644 HE2 LYS 86 1HE LYS 86 8.510 -12.408 -6.597 645 HE3 LYS 86 2HE LYS 86 8.654 -10.915 -5.672 646 HZ1 LYS 86 3HZ LYS 86 7.117 -12.660 -4.157 647 HZ2 LYS 86 1HZ LYS 86 8.696 -12.140 -3.846 648 HZ3 LYS 86 2HZ LYS 86 8.432 -13.560 -4.725 649 H ASP 87 H ASP 87 4.149 -14.301 -10.576 650 HA ASP 87 HA ASP 87 4.047 -16.833 -9.261 651 HB2 ASP 87 1HB ASP 87 2.305 -15.953 -10.852 652 HB3 ASP 87 2HB ASP 87 3.443 -16.249 -12.164 653 H ASP 88 H ASP 88 6.111 -17.590 -8.912 654 HA ASP 88 HA ASP 88 8.043 -18.703 -9.363 655 HB2 ASP 88 1HB ASP 88 6.852 -19.103 -12.115 656 HB3 ASP 88 2HB ASP 88 8.157 -20.040 -11.392 657 H SER 89 H SER 89 8.304 -16.025 -9.472 658 HA SER 89 HA SER 89 9.596 -15.255 -11.952 659 HG SER 89 HG SER 89 10.385 -12.220 -10.402 660 HB2 SER 89 1HB SER 89 8.798 -13.270 -11.268 661 HB3 SER 89 2HB SER 89 8.486 -13.886 -9.645 Start of MODEL 12 1 HA MET 1 HA MET 1 0.356 -2.973 -2.173 2 H1 MET 1 H MET 1 0.054 -1.806 0.502 3 HB2 MET 1 1HB MET 1 0.918 -0.864 -3.161 4 HB3 MET 1 2HB MET 1 -0.627 -0.676 -2.342 5 HG2 MET 1 1HG MET 1 0.503 0.387 -0.455 6 HG3 MET 1 2HG MET 1 2.048 0.202 -1.281 7 HE1 MET 1 3HE MET 1 2.467 3.454 -2.783 8 HE2 MET 1 1HE MET 1 2.342 3.172 -1.046 9 HE3 MET 1 2HE MET 1 3.096 1.962 -2.084 10 H ASP 2 H ASP 2 2.552 -2.894 -2.995 11 HA ASP 2 HA ASP 2 4.587 -2.536 -0.899 12 HB2 ASP 2 1HB ASP 2 3.850 -4.986 -1.493 13 HB3 ASP 2 2HB ASP 2 4.864 -4.737 -2.912 14 H ASP 3 H ASP 3 6.396 -1.494 -1.510 15 HA ASP 3 HA ASP 3 6.460 -0.082 -3.945 16 HB2 ASP 3 1HB ASP 3 8.497 -0.558 -1.782 17 HB3 ASP 3 2HB ASP 3 8.901 0.358 -3.231 18 H ILE 4 H ILE 4 7.622 -3.209 -3.042 19 HA ILE 4 HA ILE 4 9.630 -3.577 -4.966 20 HB ILE 4 HB ILE 4 9.333 -5.128 -3.109 21 HG12 ILE 4 1HG1 ILE 4 8.780 -6.958 -5.355 22 HG13 ILE 4 2HG1 ILE 4 10.051 -5.777 -5.656 23 HG21 ILE 4 1HG2 ILE 4 7.134 -6.651 -4.256 24 HG22 ILE 4 2HG2 ILE 4 7.410 -6.136 -2.592 25 HG23 ILE 4 3HG2 ILE 4 6.660 -5.031 -3.744 26 HD11 ILE 4 3HD1 ILE 4 11.265 -7.499 -4.790 27 HD12 ILE 4 1HD1 ILE 4 10.915 -6.592 -3.319 28 HD13 ILE 4 2HD1 ILE 4 9.967 -8.025 -3.719 29 H TYR 5 H TYR 5 6.152 -3.716 -5.183 30 HA TYR 5 HA TYR 5 6.173 -4.961 -7.796 31 HD1 TYR 5 HD2 TYR 5 5.603 -6.860 -7.366 32 HD2 TYR 5 HD1 TYR 5 2.827 -5.148 -4.633 33 HE1 TYR 5 HE2 TYR 5 5.449 -9.011 -6.183 34 HE2 TYR 5 HE1 TYR 5 2.666 -7.294 -3.442 35 HH TYR 5 HH TYR 5 4.451 -10.153 -4.560 36 HB2 TYR 5 1HB TYR 5 3.923 -3.766 -6.166 37 HB3 TYR 5 2HB TYR 5 3.712 -4.599 -7.703 38 H LYS 6 H LYS 6 5.878 -1.755 -6.422 39 HA LYS 6 HA LYS 6 4.958 -0.435 -8.751 40 HB2 LYS 6 1HB LYS 6 6.659 0.858 -6.632 41 HB3 LYS 6 2HB LYS 6 5.390 1.584 -7.608 42 HG2 LYS 6 1HG LYS 6 5.086 -0.334 -5.316 43 HG3 LYS 6 2HG LYS 6 4.524 1.336 -5.423 44 HD2 LYS 6 1HD LYS 6 3.530 -0.948 -7.127 45 HD3 LYS 6 2HD LYS 6 2.699 -0.299 -5.712 46 HE2 LYS 6 1HE LYS 6 1.809 1.346 -6.915 47 HE3 LYS 6 2HE LYS 6 3.391 1.818 -7.533 48 HZ1 LYS 6 3HZ LYS 6 1.448 0.885 -9.074 49 HZ2 LYS 6 1HZ LYS 6 2.221 -0.573 -8.700 50 HZ3 LYS 6 2HZ LYS 6 3.088 0.679 -9.436 51 H ALA 7 H ALA 7 8.189 -1.060 -7.453 52 HA ALA 7 HA ALA 7 9.604 0.443 -9.388 53 HB1 ALA 7 1HB ALA 7 10.248 -0.984 -7.090 54 HB2 ALA 7 2HB ALA 7 11.113 -1.806 -8.389 55 HB3 ALA 7 3HB ALA 7 11.355 -0.080 -8.123 56 H ALA 8 H ALA 8 8.090 -2.641 -9.481 57 HA ALA 8 HA ALA 8 9.657 -3.681 -11.665 58 HB1 ALA 8 1HB ALA 8 8.756 -5.607 -11.036 59 HB2 ALA 8 2HB ALA 8 7.841 -4.743 -9.799 60 HB3 ALA 8 3HB ALA 8 7.136 -5.008 -11.394 61 H VAL 9 H VAL 9 6.452 -2.224 -11.265 62 HA VAL 9 HA VAL 9 5.725 -2.481 -14.013 63 HB VAL 9 HB VAL 9 3.942 -0.788 -13.408 64 HG11 VAL 9 1HG1 VAL 9 2.693 -2.562 -12.919 65 HG12 VAL 9 2HG1 VAL 9 4.182 -3.502 -12.813 66 HG13 VAL 9 3HG1 VAL 9 3.495 -2.771 -11.363 67 HG21 VAL 9 3HG2 VAL 9 3.634 -0.158 -11.131 68 HG22 VAL 9 1HG2 VAL 9 4.955 -1.201 -10.602 69 HG23 VAL 9 2HG2 VAL 9 5.298 0.239 -11.561 70 H GLU 10 H GLU 10 7.340 -0.037 -12.097 71 HA GLU 10 HA GLU 10 7.147 2.054 -14.022 72 HB2 GLU 10 1HB GLU 10 8.864 1.607 -11.593 73 HB3 GLU 10 2HB GLU 10 9.117 2.993 -12.644 74 HG2 GLU 10 1HG GLU 10 6.543 3.339 -12.273 75 HG3 GLU 10 2HG GLU 10 6.847 2.378 -10.827 76 H GLN 11 H GLN 11 9.307 -0.623 -13.535 77 HA GLN 11 HA GLN 11 11.287 0.425 -15.385 78 HB2 GLN 11 1HB GLN 11 12.563 -1.570 -14.875 79 HB3 GLN 11 2HB GLN 11 11.992 -0.841 -13.380 80 HG2 GLN 11 1HG GLN 11 10.316 -2.498 -13.112 81 HG3 GLN 11 2HG GLN 11 10.590 -3.126 -14.737 82 HE21 GLN 11 2HE2 GLN 11 12.243 -2.596 -11.652 83 HE22 GLN 11 1HE2 GLN 11 13.220 -4.018 -11.732 84 H LEU 12 H LEU 12 8.362 -0.708 -15.890 85 HA LEU 12 HA LEU 12 8.785 -2.820 -17.764 86 HG LEU 12 HG LEU 12 6.844 -2.922 -15.543 87 HB2 LEU 12 1HB LEU 12 6.453 -1.056 -17.097 88 HB3 LEU 12 2HB LEU 12 6.388 -2.198 -18.438 89 HD11 LEU 12 1HD1 LEU 12 4.602 -3.798 -15.577 90 HD12 LEU 12 2HD1 LEU 12 4.409 -3.340 -17.269 91 HD13 LEU 12 3HD1 LEU 12 4.566 -2.094 -16.031 92 HD21 LEU 12 3HD2 LEU 12 6.492 -4.618 -18.012 93 HD22 LEU 12 1HD2 LEU 12 6.480 -5.229 -16.357 94 HD23 LEU 12 2HD2 LEU 12 7.940 -4.487 -17.013 95 H THR 13 H THR 13 7.716 -2.477 -20.047 96 HA THR 13 HA THR 13 9.299 -0.409 -21.335 97 HB THR 13 HB THR 13 9.402 -2.590 -22.350 98 HG1 THR 13 HG1 THR 13 8.537 -1.998 -24.483 99 HG21 THR 13 3HG2 THR 13 6.952 -3.081 -23.522 100 HG22 THR 13 1HG2 THR 13 6.524 -2.543 -21.898 101 HG23 THR 13 2HG2 THR 13 7.611 -3.914 -22.114 102 H GLU 14 H GLU 14 8.455 1.140 -22.777 103 HA GLU 14 HA GLU 14 6.225 2.537 -21.953 104 HB2 GLU 14 1HB GLU 14 7.389 2.484 -24.743 105 HB3 GLU 14 2HB GLU 14 6.353 3.742 -24.084 106 HG2 GLU 14 1HG GLU 14 8.210 3.917 -22.261 107 HG3 GLU 14 2HG GLU 14 9.205 3.131 -23.486 108 H GLU 15 H GLU 15 6.471 0.048 -24.448 109 HA GLU 15 HA GLU 15 3.909 0.270 -25.529 110 HB2 GLU 15 1HB GLU 15 5.898 -1.955 -25.325 111 HB3 GLU 15 2HB GLU 15 4.280 -2.306 -25.914 112 HG2 GLU 15 1HG GLU 15 4.542 -0.729 -27.714 113 HG3 GLU 15 2HG GLU 15 6.113 -0.229 -27.089 114 H GLN 16 H GLN 16 5.065 -1.568 -22.738 115 HA GLN 16 HA GLN 16 2.629 -2.895 -22.198 116 HB2 GLN 16 1HB GLN 16 5.075 -2.288 -20.564 117 HB3 GLN 16 2HB GLN 16 3.670 -3.050 -19.830 118 HG2 GLN 16 1HG GLN 16 4.763 -4.231 -22.324 119 HG3 GLN 16 2HG GLN 16 5.658 -4.461 -20.823 120 HE21 GLN 16 2HE2 GLN 16 2.547 -4.940 -22.384 121 HE22 GLN 16 1HE2 GLN 16 2.047 -6.267 -21.397 122 H LYS 17 H LYS 17 4.125 -0.129 -20.510 123 HA LYS 17 HA LYS 17 2.055 0.508 -18.815 124 HB2 LYS 17 1HB LYS 17 4.457 1.730 -19.672 125 HB3 LYS 17 2HB LYS 17 3.192 2.942 -19.828 126 HG2 LYS 17 1HG LYS 17 4.206 3.125 -17.662 127 HG3 LYS 17 2HG LYS 17 2.554 2.530 -17.479 128 HD2 LYS 17 1HD LYS 17 3.691 0.183 -17.551 129 HD3 LYS 17 2HD LYS 17 5.146 1.083 -17.117 130 HE2 LYS 17 1HE LYS 17 2.541 1.048 -15.596 131 HE3 LYS 17 2HE LYS 17 4.033 0.236 -15.127 132 HZ1 LYS 17 3HZ LYS 17 3.520 3.151 -15.255 133 HZ2 LYS 17 1HZ LYS 17 5.076 2.502 -15.112 134 HZ3 LYS 17 2HZ LYS 17 3.931 2.227 -13.899 135 H ASN 18 H ASN 18 2.350 1.156 -22.236 136 HA ASN 18 HA ASN 18 0.270 3.066 -22.435 137 HB2 ASN 18 1HB ASN 18 1.980 1.563 -24.255 138 HB3 ASN 18 2HB ASN 18 0.347 1.759 -24.885 139 HD21 ASN 18 2HD2 ASN 18 3.133 2.975 -25.390 140 HD22 ASN 18 1HD2 ASN 18 2.803 4.667 -25.506 141 H GLU 19 H GLU 19 0.351 -0.456 -22.784 142 HA GLU 19 HA GLU 19 -2.419 -0.669 -23.465 143 HB2 GLU 19 1HB GLU 19 -0.312 -2.662 -22.662 144 HB3 GLU 19 2HB GLU 19 -1.988 -3.140 -22.895 145 HG2 GLU 19 1HG GLU 19 -1.767 -2.035 -25.202 146 HG3 GLU 19 2HG GLU 19 -0.031 -2.114 -24.911 147 H PHE 20 H PHE 20 -0.529 -1.040 -20.506 148 HA PHE 20 HA PHE 20 -2.637 -1.988 -18.881 149 HD1 PHE 20 HD2 PHE 20 -1.949 -3.579 -17.065 150 HD2 PHE 20 HD1 PHE 20 1.599 -2.127 -18.914 151 HE1 PHE 20 HE2 PHE 20 -1.016 -5.855 -17.053 152 HE2 PHE 20 HE1 PHE 20 2.538 -4.402 -18.906 153 HZ PHE 20 HZ PHE 20 1.231 -6.269 -17.973 154 HB2 PHE 20 1HB PHE 20 -0.018 -0.629 -18.271 155 HB3 PHE 20 2HB PHE 20 -1.143 -1.083 -16.995 156 H LYS 21 H LYS 21 -1.637 1.205 -19.866 157 HA LYS 21 HA LYS 21 -3.291 2.565 -17.934 158 HB2 LYS 21 1HB LYS 21 -1.126 3.453 -18.964 159 HB3 LYS 21 2HB LYS 21 -2.071 3.775 -20.411 160 HG2 LYS 21 1HG LYS 21 -3.593 5.174 -19.000 161 HG3 LYS 21 2HG LYS 21 -2.439 4.976 -17.679 162 HD2 LYS 21 1HD LYS 21 -0.754 6.145 -18.838 163 HD3 LYS 21 2HD LYS 21 -1.621 6.033 -20.372 164 HE2 LYS 21 1HE LYS 21 -3.458 7.381 -19.089 165 HE3 LYS 21 2HE LYS 21 -2.119 7.819 -18.029 166 HZ1 LYS 21 3HZ LYS 21 -1.327 9.226 -19.536 167 HZ2 LYS 21 1HZ LYS 21 -2.787 9.047 -20.372 168 HZ3 LYS 21 2HZ LYS 21 -1.450 8.101 -20.793 169 H ALA 22 H ALA 22 -3.444 1.795 -21.381 170 HA ALA 22 HA ALA 22 -5.883 3.196 -21.850 171 HB1 ALA 22 1HB ALA 22 -5.204 0.942 -23.624 172 HB2 ALA 22 2HB ALA 22 -5.610 2.613 -24.013 173 HB3 ALA 22 3HB ALA 22 -3.981 2.205 -23.475 174 H ALA 23 H ALA 23 -5.130 -0.281 -21.580 175 HA ALA 23 HA ALA 23 -7.710 -1.270 -21.765 176 HB1 ALA 23 1HB ALA 23 -5.941 -2.819 -21.855 177 HB2 ALA 23 2HB ALA 23 -5.297 -2.297 -20.298 178 HB3 ALA 23 3HB ALA 23 -6.814 -3.193 -20.369 179 H PHE 24 H PHE 24 -6.120 0.299 -19.094 180 HA PHE 24 HA PHE 24 -7.849 -0.547 -17.028 181 HD1 PHE 24 HD1 PHE 24 -7.060 -0.339 -14.498 182 HD2 PHE 24 HD2 PHE 24 -7.149 3.638 -16.012 183 HE1 PHE 24 HE1 PHE 24 -7.917 0.462 -12.335 184 HE2 PHE 24 HE2 PHE 24 -8.005 4.445 -13.851 185 HZ PHE 24 HZ PHE 24 -8.389 2.857 -12.009 186 HB2 PHE 24 1HB PHE 24 -5.691 0.447 -16.522 187 HB3 PHE 24 2HB PHE 24 -6.177 1.960 -17.280 188 H ASP 25 H ASP 25 -8.050 1.995 -19.416 189 HA ASP 25 HA ASP 25 -10.134 3.486 -18.222 190 HB2 ASP 25 1HB ASP 25 -8.636 4.262 -20.095 191 HB3 ASP 25 2HB ASP 25 -9.570 3.235 -21.180 192 H ILE 26 H ILE 26 -10.115 0.771 -20.481 193 HA ILE 26 HA ILE 26 -12.892 0.761 -21.008 194 HB ILE 26 HB ILE 26 -10.883 -1.489 -21.158 195 HG12 ILE 26 1HG1 ILE 26 -11.712 -0.735 -23.713 196 HG13 ILE 26 2HG1 ILE 26 -11.511 0.787 -22.853 197 HG21 ILE 26 1HG2 ILE 26 -13.781 -1.348 -21.844 198 HG22 ILE 26 2HG2 ILE 26 -12.707 -2.339 -22.830 199 HG23 ILE 26 3HG2 ILE 26 -12.862 -2.657 -21.102 200 HD11 ILE 26 3HD1 ILE 26 -9.233 0.214 -22.305 201 HD12 ILE 26 1HD1 ILE 26 -9.423 -1.368 -23.061 202 HD13 ILE 26 2HD1 ILE 26 -9.487 0.094 -24.046 203 H PHE 27 H PHE 27 -10.975 -0.457 -18.383 204 HA PHE 27 HA PHE 27 -12.990 -2.236 -17.368 205 HD1 PHE 27 HD2 PHE 27 -10.461 -2.717 -18.809 206 HD2 PHE 27 HD1 PHE 27 -10.832 -4.199 -14.837 207 HE1 PHE 27 HE2 PHE 27 -9.718 -4.935 -19.571 208 HE2 PHE 27 HE1 PHE 27 -10.088 -6.419 -15.592 209 HZ PHE 27 HZ PHE 27 -9.531 -6.790 -17.962 210 HB2 PHE 27 1HB PHE 27 -10.322 -1.271 -16.418 211 HB3 PHE 27 2HB PHE 27 -11.415 -2.030 -15.265 212 H VAL 28 H VAL 28 -11.807 1.000 -16.542 213 HA VAL 28 HA VAL 28 -13.771 1.301 -14.435 214 HB VAL 28 HB VAL 28 -12.824 3.500 -14.077 215 HG11 VAL 28 1HG1 VAL 28 -11.351 1.067 -13.975 216 HG12 VAL 28 2HG1 VAL 28 -10.240 2.382 -14.364 217 HG13 VAL 28 3HG1 VAL 28 -11.239 2.471 -12.914 218 HG21 VAL 28 3HG2 VAL 28 -12.466 4.290 -16.288 219 HG22 VAL 28 1HG2 VAL 28 -10.885 4.234 -15.509 220 HG23 VAL 28 2HG2 VAL 28 -11.351 2.973 -16.650 221 H LEU 29 H LEU 29 -14.104 1.281 -17.625 222 HA LEU 29 HA LEU 29 -15.296 3.659 -18.400 223 HG LEU 29 HG LEU 29 -14.004 2.574 -20.515 224 HB2 LEU 29 1HB LEU 29 -15.292 0.890 -19.310 225 HB3 LEU 29 2HB LEU 29 -16.787 1.742 -19.694 226 HD11 LEU 29 1HD1 LEU 29 -14.469 1.790 -22.635 227 HD12 LEU 29 2HD1 LEU 29 -16.212 1.787 -22.368 228 HD13 LEU 29 3HD1 LEU 29 -15.203 0.552 -21.615 229 HD21 LEU 29 3HD2 LEU 29 -15.077 4.596 -20.382 230 HD22 LEU 29 1HD2 LEU 29 -16.667 3.898 -20.692 231 HD23 LEU 29 2HD2 LEU 29 -15.521 4.104 -22.017 232 H GLY 30 H GLY 30 -16.502 1.143 -16.336 233 HA2 GLY 30 1HA GLY 30 -19.248 2.082 -16.479 234 HA3 GLY 30 2HA GLY 30 -18.644 0.764 -15.485 235 H ALA 31 H ALA 31 -16.467 2.489 -14.420 236 HA ALA 31 HA ALA 31 -17.903 3.509 -12.169 237 HB1 ALA 31 1HB ALA 31 -15.802 2.595 -11.676 238 HB2 ALA 31 2HB ALA 31 -15.004 3.518 -12.950 239 HB3 ALA 31 3HB ALA 31 -15.585 4.337 -11.500 240 H GLU 32 H GLU 32 -17.745 5.713 -11.364 241 HA GLU 32 HA GLU 32 -17.919 7.649 -13.561 242 HB2 GLU 32 1HB GLU 32 -19.195 9.043 -12.018 243 HB3 GLU 32 2HB GLU 32 -19.902 7.438 -12.131 244 HG2 GLU 32 1HG GLU 32 -19.984 7.785 -9.878 245 HG3 GLU 32 2HG GLU 32 -18.432 6.963 -10.026 246 H ASP 33 H ASP 33 -16.121 6.847 -10.717 247 HA ASP 33 HA ASP 33 -14.747 9.428 -10.714 248 HB2 ASP 33 1HB ASP 33 -15.556 8.086 -8.607 249 HB3 ASP 33 2HB ASP 33 -14.059 7.189 -8.848 250 H GLY 34 H GLY 34 -14.265 6.075 -11.545 251 HA2 GLY 34 1HA GLY 34 -12.629 5.611 -13.295 252 HA3 GLY 34 2HA GLY 34 -11.570 6.783 -12.524 253 H CYS 35 H CYS 35 -13.427 3.980 -11.338 254 HA CYS 35 HA CYS 35 -10.935 2.681 -10.560 255 HG CYS 35 HG CYS 35 -14.652 2.863 -8.721 256 HB2 CYS 35 1HB CYS 35 -11.942 2.210 -8.271 257 HB3 CYS 35 2HB CYS 35 -11.379 3.853 -8.550 258 H ILE 36 H ILE 36 -11.533 0.474 -9.470 259 HA ILE 36 HA ILE 36 -13.843 -0.690 -10.874 260 HB ILE 36 HB ILE 36 -11.108 -1.950 -10.635 261 HG12 ILE 36 1HG1 ILE 36 -12.250 -1.612 -13.301 262 HG13 ILE 36 2HG1 ILE 36 -12.000 -0.078 -12.474 263 HG21 ILE 36 1HG2 ILE 36 -13.715 -2.974 -11.728 264 HG22 ILE 36 2HG2 ILE 36 -12.157 -3.681 -12.153 265 HG23 ILE 36 3HG2 ILE 36 -12.699 -3.687 -10.475 266 HD11 ILE 36 3HD1 ILE 36 -9.983 -0.306 -13.484 267 HD12 ILE 36 1HD1 ILE 36 -9.640 -1.146 -11.971 268 HD13 ILE 36 2HD1 ILE 36 -10.025 -2.068 -13.424 269 H SER 37 H SER 37 -15.217 -1.314 -9.345 270 HA SER 37 HA SER 37 -14.241 -2.201 -6.752 271 HG SER 37 HG SER 37 -18.199 -2.179 -7.126 272 HB2 SER 37 1HB SER 37 -16.420 -1.888 -5.953 273 HB3 SER 37 2HB SER 37 -16.264 -0.628 -7.177 274 H THR 38 H THR 38 -14.905 -4.195 -5.789 275 HA THR 38 HA THR 38 -14.499 -6.448 -7.359 276 HB THR 38 HB THR 38 -14.146 -6.688 -5.033 277 HG1 THR 38 HG1 THR 38 -15.728 -8.413 -4.522 278 HG21 THR 38 3HG2 THR 38 -16.618 -5.211 -4.829 279 HG22 THR 38 1HG2 THR 38 -15.354 -5.451 -3.623 280 HG23 THR 38 2HG2 THR 38 -16.649 -6.637 -3.792 281 H LYS 39 H LYS 39 -17.392 -4.645 -6.783 282 HA LYS 39 HA LYS 39 -19.296 -6.637 -7.400 283 HB2 LYS 39 1HB LYS 39 -19.543 -4.202 -6.401 284 HB3 LYS 39 2HB LYS 39 -19.795 -3.773 -8.087 285 HG2 LYS 39 1HG LYS 39 -21.931 -4.117 -7.149 286 HG3 LYS 39 2HG LYS 39 -21.594 -5.528 -8.155 287 HD2 LYS 39 1HD LYS 39 -22.411 -6.520 -6.243 288 HD3 LYS 39 2HD LYS 39 -20.675 -6.532 -5.922 289 HE2 LYS 39 1HE LYS 39 -20.870 -4.567 -4.543 290 HE3 LYS 39 2HE LYS 39 -22.573 -4.393 -4.965 291 HZ1 LYS 39 3HZ LYS 39 -22.052 -5.449 -2.746 292 HZ2 LYS 39 1HZ LYS 39 -21.528 -6.807 -3.609 293 HZ3 LYS 39 2HZ LYS 39 -23.134 -6.291 -3.738 294 H GLU 40 H GLU 40 -17.955 -4.020 -9.421 295 HA GLU 40 HA GLU 40 -19.142 -5.074 -11.809 296 HB2 GLU 40 1HB GLU 40 -16.912 -3.051 -11.678 297 HB3 GLU 40 2HB GLU 40 -18.114 -3.257 -12.944 298 HG2 GLU 40 1HG GLU 40 -19.616 -2.774 -10.674 299 HG3 GLU 40 2HG GLU 40 -18.229 -1.698 -10.510 300 H LEU 41 H LEU 41 -15.955 -5.162 -10.316 301 HA LEU 41 HA LEU 41 -14.421 -6.147 -12.386 302 HG LEU 41 HG LEU 41 -12.804 -8.408 -10.431 303 HB2 LEU 41 1HB LEU 41 -13.501 -5.496 -10.232 304 HB3 LEU 41 2HB LEU 41 -14.290 -6.871 -9.462 305 HD11 LEU 41 1HD1 LEU 41 -12.474 -8.036 -12.629 306 HD12 LEU 41 2HD1 LEU 41 -11.002 -7.253 -12.057 307 HD13 LEU 41 3HD1 LEU 41 -12.425 -6.283 -12.438 308 HD21 LEU 41 3HD2 LEU 41 -10.528 -7.411 -9.940 309 HD22 LEU 41 1HD2 LEU 41 -11.714 -7.330 -8.637 310 HD23 LEU 41 2HD2 LEU 41 -11.369 -5.896 -9.604 311 H GLY 42 H GLY 42 -16.777 -7.805 -10.400 312 HA2 GLY 42 1HA GLY 42 -16.027 -10.450 -11.188 313 HA3 GLY 42 2HA GLY 42 -17.527 -9.985 -10.399 314 H LYS 43 H LYS 43 -18.183 -8.022 -12.489 315 HA LYS 43 HA LYS 43 -19.663 -9.735 -14.192 316 HB2 LYS 43 1HB LYS 43 -19.408 -6.870 -13.728 317 HB3 LYS 43 2HB LYS 43 -19.640 -7.249 -15.429 318 HG2 LYS 43 1HG LYS 43 -21.566 -8.771 -14.492 319 HG3 LYS 43 2HG LYS 43 -21.471 -7.660 -13.124 320 HD2 LYS 43 1HD LYS 43 -22.669 -6.173 -14.261 321 HD3 LYS 43 2HD LYS 43 -21.406 -6.108 -15.494 322 HE2 LYS 43 1HE LYS 43 -22.509 -7.529 -16.893 323 HE3 LYS 43 2HE LYS 43 -23.282 -8.405 -15.573 324 HZ1 LYS 43 3HZ LYS 43 -24.062 -5.786 -16.716 325 HZ2 LYS 43 1HZ LYS 43 -24.660 -6.346 -15.236 326 HZ3 LYS 43 2HZ LYS 43 -24.974 -7.210 -16.656 327 H VAL 44 H VAL 44 -16.841 -7.651 -14.772 328 HA VAL 44 HA VAL 44 -16.515 -8.159 -17.489 329 HB VAL 44 HB VAL 44 -14.357 -7.638 -15.439 330 HG11 VAL 44 1HG1 VAL 44 -13.527 -6.555 -17.818 331 HG12 VAL 44 2HG1 VAL 44 -12.978 -8.091 -17.142 332 HG13 VAL 44 3HG1 VAL 44 -14.286 -8.064 -18.325 333 HG21 VAL 44 3HG2 VAL 44 -15.940 -5.860 -15.369 334 HG22 VAL 44 1HG2 VAL 44 -14.558 -5.289 -16.304 335 HG23 VAL 44 2HG2 VAL 44 -16.034 -5.791 -17.129 336 H MET 45 H MET 45 -15.371 -9.971 -14.681 337 HA MET 45 HA MET 45 -13.633 -11.745 -15.882 338 HB2 MET 45 1HB MET 45 -15.600 -12.340 -13.663 339 HB3 MET 45 2HB MET 45 -14.178 -13.299 -14.053 340 HG2 MET 45 1HG MET 45 -13.571 -10.489 -13.602 341 HG3 MET 45 2HG MET 45 -14.308 -11.278 -12.208 342 HE1 MET 45 3HE MET 45 -10.590 -13.010 -14.295 343 HE2 MET 45 1HE MET 45 -12.206 -13.646 -14.599 344 HE3 MET 45 2HE MET 45 -11.811 -11.989 -15.057 345 H ARG 46 H ARG 46 -17.160 -11.865 -15.733 346 HA ARG 46 HA ARG 46 -17.532 -14.429 -16.785 347 HE ARG 46 HE ARG 46 -20.637 -12.811 -13.042 348 HB2 ARG 46 1HB ARG 46 -19.327 -12.035 -17.213 349 HB3 ARG 46 2HB ARG 46 -19.790 -13.729 -17.301 350 HG2 ARG 46 1HG ARG 46 -19.235 -13.953 -14.894 351 HG3 ARG 46 2HG ARG 46 -18.934 -12.214 -14.846 352 HD2 ARG 46 1HD ARG 46 -21.271 -11.878 -15.680 353 HD3 ARG 46 2HD ARG 46 -21.530 -13.610 -15.470 354 HH11 ARG 46 1HH1 ARG 46 -23.187 -11.714 -15.143 355 HH12 ARG 46 2HH1 ARG 46 -24.200 -11.173 -13.847 356 HH21 ARG 46 1HH2 ARG 46 -21.963 -12.103 -11.326 357 HH22 ARG 46 2HH2 ARG 46 -23.503 -11.394 -11.676 358 H MET 47 H MET 47 -17.210 -11.295 -18.408 359 HA MET 47 HA MET 47 -17.713 -12.166 -21.021 360 HB2 MET 47 1HB MET 47 -15.857 -9.940 -20.162 361 HB3 MET 47 2HB MET 47 -16.599 -10.126 -21.745 362 HG2 MET 47 1HG MET 47 -18.232 -9.830 -19.249 363 HG3 MET 47 2HG MET 47 -17.633 -8.441 -20.152 364 HE1 MET 47 3HE MET 47 -21.049 -7.960 -21.483 365 HE2 MET 47 1HE MET 47 -21.003 -8.727 -19.895 366 HE3 MET 47 2HE MET 47 -19.801 -7.508 -20.320 367 H LEU 48 H LEU 48 -14.823 -12.291 -19.050 368 HA LEU 48 HA LEU 48 -13.050 -12.975 -21.184 369 HG LEU 48 HG LEU 48 -10.909 -11.876 -20.233 370 HB2 LEU 48 1HB LEU 48 -12.899 -12.897 -18.215 371 HB3 LEU 48 2HB LEU 48 -11.690 -13.836 -19.088 372 HD11 LEU 48 1HD1 LEU 48 -13.373 -10.647 -19.092 373 HD12 LEU 48 2HD1 LEU 48 -12.706 -10.535 -20.721 374 HD13 LEU 48 3HD1 LEU 48 -11.962 -9.634 -19.400 375 HD21 LEU 48 3HD2 LEU 48 -11.297 -11.167 -17.329 376 HD22 LEU 48 1HD2 LEU 48 -9.998 -10.638 -18.399 377 HD23 LEU 48 2HD2 LEU 48 -10.108 -12.331 -17.916 378 H GLY 49 H GLY 49 -15.339 -14.704 -19.318 379 HA2 GLY 49 1HA GLY 49 -15.981 -16.893 -20.212 380 HA3 GLY 49 2HA GLY 49 -14.268 -17.237 -20.397 381 H GLN 50 H GLN 50 -14.152 -15.714 -17.630 382 HA GLN 50 HA GLN 50 -14.536 -18.170 -16.068 383 HB2 GLN 50 1HB GLN 50 -12.259 -17.150 -16.134 384 HB3 GLN 50 2HB GLN 50 -12.919 -15.720 -15.351 385 HG2 GLN 50 1HG GLN 50 -12.761 -16.649 -13.348 386 HG3 GLN 50 2HG GLN 50 -13.601 -18.103 -13.884 387 HE21 GLN 50 2HE2 GLN 50 -10.444 -16.521 -14.246 388 HE22 GLN 50 1HE2 GLN 50 -9.512 -17.967 -14.094 389 H ASN 51 H ASN 51 -15.544 -18.105 -14.027 390 HA ASN 51 HA ASN 51 -17.026 -15.662 -13.374 391 HB2 ASN 51 1HB ASN 51 -18.401 -18.328 -13.219 392 HB3 ASN 51 2HB ASN 51 -19.112 -16.718 -13.266 393 HD21 ASN 51 2HD2 ASN 51 -18.049 -19.400 -15.074 394 HD22 ASN 51 1HD2 ASN 51 -18.404 -18.776 -16.646 395 HA PRO 52 HA PRO 52 -14.966 -17.549 -9.676 396 HB2 PRO 52 1HB PRO 52 -14.006 -15.194 -8.726 397 HB3 PRO 52 2HB PRO 52 -13.141 -16.174 -9.917 398 HG2 PRO 52 1HG PRO 52 -14.855 -13.756 -10.339 399 HG3 PRO 52 2HG PRO 52 -13.298 -14.167 -11.080 400 HD2 PRO 52 1HD PRO 52 -15.659 -14.527 -12.356 401 HD3 PRO 52 2HD PRO 52 -14.262 -15.591 -12.615 402 H THR 53 H THR 53 -15.238 -16.844 -7.342 403 HA THR 53 HA THR 53 -18.023 -16.303 -6.876 404 HB THR 53 HB THR 53 -17.108 -16.353 -4.391 405 HG1 THR 53 HG1 THR 53 -15.215 -17.684 -4.314 406 HG21 THR 53 3HG2 THR 53 -18.594 -18.031 -5.222 407 HG22 THR 53 1HG2 THR 53 -17.222 -18.861 -4.488 408 HG23 THR 53 2HG2 THR 53 -17.334 -18.723 -6.243 409 HA PRO 54 HA PRO 54 -17.915 -12.015 -5.947 410 HB2 PRO 54 1HB PRO 54 -19.625 -11.840 -3.845 411 HB3 PRO 54 2HB PRO 54 -20.164 -12.157 -5.498 412 HG2 PRO 54 1HG PRO 54 -19.727 -14.081 -3.247 413 HG3 PRO 54 2HG PRO 54 -21.057 -14.012 -4.418 414 HD2 PRO 54 1HD PRO 54 -18.995 -15.751 -4.655 415 HD3 PRO 54 2HD PRO 54 -19.830 -15.063 -6.062 416 H GLU 55 H GLU 55 -17.807 -13.960 -2.955 417 HA GLU 55 HA GLU 55 -16.516 -11.997 -1.397 418 HB2 GLU 55 1HB GLU 55 -16.802 -14.980 -1.124 419 HB3 GLU 55 2HB GLU 55 -15.879 -14.038 0.037 420 HG2 GLU 55 1HG GLU 55 -18.040 -12.601 0.183 421 HG3 GLU 55 2HG GLU 55 -18.811 -14.029 -0.502 422 H GLU 56 H GLU 56 -15.331 -14.390 -3.629 423 HA GLU 56 HA GLU 56 -12.637 -14.447 -2.783 424 HB2 GLU 56 1HB GLU 56 -13.442 -16.188 -4.218 425 HB3 GLU 56 2HB GLU 56 -13.922 -15.029 -5.450 426 HG2 GLU 56 1HG GLU 56 -11.620 -14.502 -5.917 427 HG3 GLU 56 2HG GLU 56 -11.082 -15.539 -4.597 428 H LEU 57 H LEU 57 -14.282 -12.563 -5.309 429 HA LEU 57 HA LEU 57 -12.116 -11.191 -6.337 430 HG LEU 57 HG LEU 57 -13.057 -10.982 -8.328 431 HB2 LEU 57 1HB LEU 57 -15.018 -10.689 -6.133 432 HB3 LEU 57 2HB LEU 57 -14.009 -9.286 -6.478 433 HD11 LEU 57 1HD1 LEU 57 -15.830 -11.894 -7.676 434 HD12 LEU 57 2HD1 LEU 57 -14.390 -12.851 -8.020 435 HD13 LEU 57 3HD1 LEU 57 -15.214 -11.998 -9.325 436 HD21 LEU 57 3HD2 LEU 57 -13.951 -8.688 -8.640 437 HD22 LEU 57 1HD2 LEU 57 -15.579 -9.367 -8.679 438 HD23 LEU 57 2HD2 LEU 57 -14.412 -9.804 -9.927 439 H GLN 58 H GLN 58 -14.278 -10.090 -3.721 440 HA GLN 58 HA GLN 58 -12.798 -7.782 -3.092 441 HB2 GLN 58 1HB GLN 58 -15.046 -7.888 -2.340 442 HB3 GLN 58 2HB GLN 58 -14.778 -9.422 -1.522 443 HG2 GLN 58 1HG GLN 58 -14.954 -7.646 0.092 444 HG3 GLN 58 2HG GLN 58 -13.314 -8.293 0.088 445 HE21 GLN 58 2HE2 GLN 58 -11.840 -6.786 0.296 446 HE22 GLN 58 1HE2 GLN 58 -11.918 -5.181 -0.339 447 H GLU 59 H GLU 59 -12.360 -11.110 -2.272 448 HA GLU 59 HA GLU 59 -10.867 -10.879 0.082 449 HB2 GLU 59 1HB GLU 59 -11.788 -12.984 -1.119 450 HB3 GLU 59 2HB GLU 59 -10.268 -12.957 -2.002 451 HG2 GLU 59 1HG GLU 59 -9.015 -13.199 0.026 452 HG3 GLU 59 2HG GLU 59 -10.477 -13.035 0.997 453 H MET 60 H MET 60 -9.723 -11.123 -3.286 454 HA MET 60 HA MET 60 -6.995 -10.706 -2.626 455 HB2 MET 60 1HB MET 60 -8.299 -11.577 -4.844 456 HB3 MET 60 2HB MET 60 -7.879 -9.942 -5.336 457 HG2 MET 60 1HG MET 60 -5.689 -11.423 -4.084 458 HG3 MET 60 2HG MET 60 -6.276 -12.120 -5.592 459 HE1 MET 60 3HE MET 60 -4.005 -10.727 -7.802 460 HE2 MET 60 1HE MET 60 -5.241 -11.900 -7.348 461 HE3 MET 60 2HE MET 60 -5.692 -10.443 -8.234 462 H ILE 61 H ILE 61 -9.636 -8.577 -3.529 463 HA ILE 61 HA ILE 61 -8.093 -6.259 -4.012 464 HB ILE 61 HB ILE 61 -10.974 -6.561 -3.170 465 HG12 ILE 61 1HG1 ILE 61 -9.680 -5.965 -5.840 466 HG13 ILE 61 2HG1 ILE 61 -10.445 -7.481 -5.376 467 HG21 ILE 61 1HG2 ILE 61 -9.484 -4.093 -4.051 468 HG22 ILE 61 2HG2 ILE 61 -11.236 -4.211 -3.899 469 HG23 ILE 61 3HG2 ILE 61 -10.215 -4.383 -2.472 470 HD11 ILE 61 3HD1 ILE 61 -11.623 -5.004 -6.349 471 HD12 ILE 61 1HD1 ILE 61 -12.251 -6.651 -6.376 472 HD13 ILE 61 2HD1 ILE 61 -12.433 -5.661 -4.927 473 H ASP 62 H ASP 62 -9.097 -7.838 -1.117 474 HA ASP 62 HA ASP 62 -8.995 -5.630 0.651 475 HB2 ASP 62 1HB ASP 62 -9.991 -7.972 1.050 476 HB3 ASP 62 2HB ASP 62 -8.345 -8.461 1.445 477 H GLU 63 H GLU 63 -6.601 -8.156 -0.110 478 HA GLU 63 HA GLU 63 -4.556 -6.988 1.490 479 HB2 GLU 63 1HB GLU 63 -4.921 -9.417 0.222 480 HB3 GLU 63 2HB GLU 63 -3.623 -8.676 -0.704 481 HG2 GLU 63 1HG GLU 63 -3.618 -9.015 2.286 482 HG3 GLU 63 2HG GLU 63 -2.828 -10.101 1.144 483 H VAL 64 H VAL 64 -5.708 -6.444 -1.709 484 HA VAL 64 HA VAL 64 -3.299 -5.181 -2.668 485 HB VAL 64 HB VAL 64 -6.091 -5.246 -3.819 486 HG11 VAL 64 1HG1 VAL 64 -4.224 -4.689 -5.829 487 HG12 VAL 64 2HG1 VAL 64 -5.451 -3.603 -5.173 488 HG13 VAL 64 3HG1 VAL 64 -3.824 -3.611 -4.492 489 HG21 VAL 64 3HG2 VAL 64 -5.528 -7.130 -4.915 490 HG22 VAL 64 1HG2 VAL 64 -3.869 -6.597 -5.187 491 HG23 VAL 64 2HG2 VAL 64 -4.327 -7.298 -3.635 492 H ASP 65 H ASP 65 -6.541 -4.087 -1.698 493 HA ASP 65 HA ASP 65 -6.043 -1.333 -2.056 494 HB2 ASP 65 1HB ASP 65 -8.288 -2.636 -1.708 495 HB3 ASP 65 2HB ASP 65 -7.981 -2.335 0.000 496 H GLU 66 H GLU 66 -4.205 -0.589 -1.099 497 HA GLU 66 HA GLU 66 -3.334 -1.276 1.494 498 HB2 GLU 66 1HB GLU 66 -1.687 0.414 1.241 499 HB3 GLU 66 2HB GLU 66 -1.939 -0.270 -0.358 500 HG2 GLU 66 1HG GLU 66 -1.925 1.947 -0.865 501 HG3 GLU 66 2HG GLU 66 -3.649 1.706 -0.586 502 H ASP 67 H ASP 67 -5.603 1.069 0.321 503 HA ASP 67 HA ASP 67 -5.726 2.398 2.926 504 HB2 ASP 67 1HB ASP 67 -7.423 3.871 1.667 505 HB3 ASP 67 2HB ASP 67 -5.727 3.998 1.208 506 H GLY 68 H GLY 68 -7.135 -0.179 1.346 507 HA2 GLY 68 1HA GLY 68 -9.019 -1.437 1.721 508 HA3 GLY 68 2HA GLY 68 -8.959 -0.781 3.350 509 H SER 69 H SER 69 -9.479 0.995 0.339 510 HA SER 69 HA SER 69 -11.784 2.296 1.445 511 HG SER 69 HG SER 69 -11.021 2.129 -2.282 512 HB2 SER 69 1HB SER 69 -11.902 3.393 -0.810 513 HB3 SER 69 2HB SER 69 -10.343 3.574 -0.006 514 H GLY 70 H GLY 70 -11.214 -0.474 -0.535 515 HA2 GLY 70 1HA GLY 70 -12.916 -2.141 -0.783 516 HA3 GLY 70 2HA GLY 70 -14.123 -0.864 -0.744 517 H THR 71 H THR 71 -11.381 -0.178 -2.649 518 HA THR 71 HA THR 71 -12.476 -1.304 -5.088 519 HB THR 71 HB THR 71 -12.121 1.243 -5.988 520 HG1 THR 71 HG1 THR 71 -12.614 2.661 -4.481 521 HG21 THR 71 3HG2 THR 71 -14.281 -0.578 -5.577 522 HG22 THR 71 1HG2 THR 71 -14.126 0.695 -6.788 523 HG23 THR 71 2HG2 THR 71 -14.838 1.055 -5.215 524 H VAL 72 H VAL 72 -11.058 -0.977 -6.947 525 HA VAL 72 HA VAL 72 -8.258 -0.748 -6.093 526 HB VAL 72 HB VAL 72 -9.587 -2.186 -8.366 527 HG11 VAL 72 1HG1 VAL 72 -7.827 -1.075 -9.494 528 HG12 VAL 72 2HG1 VAL 72 -6.697 -1.371 -8.171 529 HG13 VAL 72 3HG1 VAL 72 -7.253 -2.712 -9.174 530 HG21 VAL 72 3HG2 VAL 72 -7.535 -3.687 -7.180 531 HG22 VAL 72 1HG2 VAL 72 -8.382 -2.886 -5.856 532 HG23 VAL 72 2HG2 VAL 72 -9.275 -3.902 -6.987 533 H ASP 73 H ASP 73 -6.917 0.762 -6.906 534 HA ASP 73 HA ASP 73 -8.085 2.757 -8.703 535 HB2 ASP 73 1HB ASP 73 -5.469 2.988 -7.218 536 HB3 ASP 73 2HB ASP 73 -6.449 4.284 -7.898 537 H PHE 74 H PHE 74 -6.022 3.901 -9.923 538 HA PHE 74 HA PHE 74 -5.442 2.190 -12.061 539 HD1 PHE 74 HD2 PHE 74 -3.676 2.149 -13.591 540 HD2 PHE 74 HD1 PHE 74 -5.382 6.048 -13.688 541 HE1 PHE 74 HE2 PHE 74 -3.647 2.097 -16.051 542 HE2 PHE 74 HE1 PHE 74 -5.357 6.001 -16.148 543 HZ PHE 74 HZ PHE 74 -4.487 4.025 -17.332 544 HB2 PHE 74 1HB PHE 74 -5.270 4.873 -11.664 545 HB3 PHE 74 2HB PHE 74 -3.566 4.429 -11.634 546 H ASP 75 H ASP 75 -3.434 3.224 -9.327 547 HA ASP 75 HA ASP 75 -1.113 1.811 -10.136 548 HB2 ASP 75 1HB ASP 75 -2.013 2.963 -7.501 549 HB3 ASP 75 2HB ASP 75 -0.488 2.098 -7.665 550 H GLU 76 H GLU 76 -3.544 1.091 -7.627 551 HA GLU 76 HA GLU 76 -2.549 -1.406 -6.885 552 HB2 GLU 76 1HB GLU 76 -5.434 -0.502 -6.888 553 HB3 GLU 76 2HB GLU 76 -4.773 -1.841 -5.960 554 HG2 GLU 76 1HG GLU 76 -3.656 -0.448 -4.494 555 HG3 GLU 76 2HG GLU 76 -3.668 0.910 -5.617 556 H TRP 77 H TRP 77 -4.567 -0.457 -9.576 557 HA TRP 77 HA TRP 77 -5.428 -3.067 -10.296 558 HD1 TRP 77 HD1 TRP 77 -8.221 -2.817 -12.160 559 HE1 TRP 77 HE1 TRP 77 -8.322 -3.917 -14.485 560 HE3 TRP 77 HE3 TRP 77 -3.616 -1.447 -13.908 561 HZ2 TRP 77 HZ2 TRP 77 -6.668 -4.171 -16.758 562 HZ3 TRP 77 HZ3 TRP 77 -2.952 -2.159 -16.167 563 HH2 TRP 77 HH2 TRP 77 -4.448 -3.493 -17.561 564 HB2 TRP 77 1HB TRP 77 -6.615 -1.066 -11.057 565 HB3 TRP 77 2HB TRP 77 -5.200 -0.559 -11.975 566 H LEU 78 H LEU 78 -2.775 -0.989 -11.406 567 HA LEU 78 HA LEU 78 -1.805 -2.897 -13.304 568 HG LEU 78 HG LEU 78 -1.518 -1.377 -14.933 569 HB2 LEU 78 1HB LEU 78 -1.253 -0.197 -12.564 570 HB3 LEU 78 2HB LEU 78 0.258 -1.106 -12.566 571 HD11 LEU 78 1HD1 LEU 78 -1.011 0.668 -15.877 572 HD12 LEU 78 2HD1 LEU 78 0.332 0.964 -14.774 573 HD13 LEU 78 3HD1 LEU 78 -1.328 1.104 -14.198 574 HD21 LEU 78 3HD2 LEU 78 1.303 -1.722 -14.206 575 HD22 LEU 78 1HD2 LEU 78 1.033 -0.983 -15.784 576 HD23 LEU 78 2HD2 LEU 78 0.328 -2.557 -15.416 577 H VAL 79 H VAL 79 -1.217 -2.212 -9.940 578 HA VAL 79 HA VAL 79 1.235 -3.632 -9.702 579 HB VAL 79 HB VAL 79 -0.150 -1.975 -8.044 580 HG11 VAL 79 1HG1 VAL 79 -0.314 -4.680 -6.734 581 HG12 VAL 79 2HG1 VAL 79 -0.922 -3.139 -6.126 582 HG13 VAL 79 3HG1 VAL 79 -1.687 -3.901 -7.521 583 HG21 VAL 79 3HG2 VAL 79 2.324 -2.806 -8.147 584 HG22 VAL 79 1HG2 VAL 79 1.679 -2.133 -6.651 585 HG23 VAL 79 2HG2 VAL 79 1.812 -3.881 -6.846 586 H MET 80 H MET 80 -2.108 -4.569 -9.713 587 HA MET 80 HA MET 80 -2.009 -6.995 -8.360 588 HB2 MET 80 1HB MET 80 -3.729 -5.863 -10.512 589 HB3 MET 80 2HB MET 80 -3.842 -7.590 -10.197 590 HG2 MET 80 1HG MET 80 -4.247 -7.021 -7.788 591 HG3 MET 80 2HG MET 80 -4.375 -5.335 -8.286 592 HE1 MET 80 3HE MET 80 -7.316 -5.445 -10.791 593 HE2 MET 80 1HE MET 80 -5.605 -5.030 -10.675 594 HE3 MET 80 2HE MET 80 -6.093 -6.565 -11.393 595 H MET 81 H MET 81 -1.768 -6.515 -11.891 596 HA MET 81 HA MET 81 -0.956 -9.184 -12.399 597 HB2 MET 81 1HB MET 81 -0.285 -8.220 -14.657 598 HB3 MET 81 2HB MET 81 -1.973 -8.041 -14.198 599 HG2 MET 81 1HG MET 81 -0.306 -5.799 -13.371 600 HG3 MET 81 2HG MET 81 -0.336 -6.051 -15.115 601 HE1 MET 81 3HE MET 81 -3.640 -7.383 -14.990 602 HE2 MET 81 1HE MET 81 -4.158 -5.950 -15.879 603 HE3 MET 81 2HE MET 81 -2.622 -6.722 -16.271 604 H ALA 82 H ALA 82 0.759 -6.233 -11.669 605 HA ALA 82 HA ALA 82 3.312 -6.833 -12.559 606 HB1 ALA 82 1HB ALA 82 3.105 -5.520 -9.916 607 HB2 ALA 82 2HB ALA 82 3.995 -5.035 -11.360 608 HB3 ALA 82 3HB ALA 82 2.258 -4.752 -11.259 609 H ARG 83 H ARG 83 1.532 -8.172 -9.905 610 HA ARG 83 HA ARG 83 3.663 -9.164 -8.360 611 HE ARG 83 HE ARG 83 2.077 -10.809 -4.158 612 HB2 ARG 83 1HB ARG 83 0.989 -9.099 -8.034 613 HB3 ARG 83 2HB ARG 83 1.184 -10.780 -8.511 614 HG2 ARG 83 1HG ARG 83 2.020 -11.350 -6.530 615 HG3 ARG 83 2HG ARG 83 3.112 -9.963 -6.499 616 HD2 ARG 83 1HD ARG 83 1.471 -8.559 -5.570 617 HD3 ARG 83 2HD ARG 83 0.171 -9.683 -5.964 618 HH11 ARG 83 1HH1 ARG 83 -0.708 -8.732 -4.384 619 HH12 ARG 83 2HH1 ARG 83 -1.212 -9.011 -2.750 620 HH21 ARG 83 1HH2 ARG 83 1.424 -11.185 -2.005 621 HH22 ARG 83 2HH2 ARG 83 0.002 -10.406 -1.397 622 H CYS 84 H CYS 84 2.273 -10.226 -11.343 623 HA CYS 84 HA CYS 84 3.169 -12.924 -11.245 624 HG CYS 84 HG CYS 84 3.840 -13.535 -14.588 625 HB2 CYS 84 1HB CYS 84 1.354 -12.082 -12.745 626 HB3 CYS 84 2HB CYS 84 2.580 -11.248 -13.692 627 H MET 85 H MET 85 4.766 -9.967 -11.727 628 HA MET 85 HA MET 85 6.863 -10.903 -13.432 629 HB2 MET 85 1HB MET 85 6.619 -8.471 -11.660 630 HB3 MET 85 2HB MET 85 8.009 -8.781 -12.691 631 HG2 MET 85 1HG MET 85 5.279 -8.772 -13.881 632 HG3 MET 85 2HG MET 85 6.070 -7.244 -13.501 633 HE1 MET 85 3HE MET 85 6.399 -9.482 -17.245 634 HE2 MET 85 1HE MET 85 5.323 -9.768 -15.876 635 HE3 MET 85 2HE MET 85 5.283 -8.220 -16.720 636 H LYS 86 H LYS 86 6.568 -10.328 -9.941 637 HA LYS 86 HA LYS 86 9.220 -11.200 -9.351 638 HB2 LYS 86 1HB LYS 86 6.844 -10.983 -7.494 639 HB3 LYS 86 2HB LYS 86 8.534 -11.081 -7.017 640 HG2 LYS 86 1HG LYS 86 7.419 -8.846 -8.690 641 HG3 LYS 86 2HG LYS 86 7.513 -8.795 -6.928 642 HD2 LYS 86 1HD LYS 86 9.774 -8.558 -6.920 643 HD3 LYS 86 2HD LYS 86 9.988 -9.526 -8.381 644 HE2 LYS 86 1HE LYS 86 8.729 -7.444 -9.461 645 HE3 LYS 86 2HE LYS 86 9.449 -6.624 -8.077 646 HZ1 LYS 86 3HZ LYS 86 10.676 -7.208 -10.464 647 HZ2 LYS 86 1HZ LYS 86 11.337 -8.313 -9.367 648 HZ3 LYS 86 2HZ LYS 86 11.425 -6.654 -9.053 649 H ASP 87 H ASP 87 6.481 -12.858 -10.276 650 HA ASP 87 HA ASP 87 5.797 -15.033 -10.175 651 HB2 ASP 87 1HB ASP 87 8.790 -15.422 -9.965 652 HB3 ASP 87 2HB ASP 87 7.637 -16.703 -10.328 653 H ASP 88 H ASP 88 5.685 -13.697 -7.695 654 HA ASP 88 HA ASP 88 5.921 -15.997 -5.900 655 HB2 ASP 88 1HB ASP 88 7.911 -14.472 -5.596 656 HB3 ASP 88 2HB ASP 88 6.786 -13.226 -5.062 657 H SER 89 H SER 89 3.938 -16.386 -5.195 658 HA SER 89 HA SER 89 2.354 -14.245 -4.053 659 HG SER 89 HG SER 89 0.670 -16.319 -7.057 660 HB2 SER 89 1HB SER 89 0.320 -15.050 -5.413 661 HB3 SER 89 2HB SER 89 1.493 -14.022 -6.236 Start of MODEL 13 1 HA MET 1 HA MET 1 3.272 -1.917 0.496 2 H1 MET 1 H MET 1 3.672 -3.246 3.089 3 HB2 MET 1 1HB MET 1 5.191 -1.517 2.738 4 HB3 MET 1 2HB MET 1 5.756 -1.178 1.108 5 HG2 MET 1 1HG MET 1 4.987 0.874 1.819 6 HG3 MET 1 2HG MET 1 3.619 0.244 0.903 7 HE1 MET 1 3HE MET 1 3.807 1.476 5.212 8 HE2 MET 1 1HE MET 1 4.881 0.120 4.870 9 HE3 MET 1 2HE MET 1 5.025 1.613 3.943 10 H ASP 2 H ASP 2 3.954 -2.911 -1.277 11 HA ASP 2 HA ASP 2 5.953 -5.058 -0.998 12 HB2 ASP 2 1HB ASP 2 3.866 -4.824 -3.171 13 HB3 ASP 2 2HB ASP 2 4.922 -6.196 -2.848 14 H ASP 3 H ASP 3 7.629 -3.463 -1.247 15 HA ASP 3 HA ASP 3 7.861 -1.768 -3.480 16 HB2 ASP 3 1HB ASP 3 9.192 -1.471 -1.437 17 HB3 ASP 3 2HB ASP 3 10.050 -2.972 -1.773 18 H ILE 4 H ILE 4 8.416 -5.151 -3.084 19 HA ILE 4 HA ILE 4 10.243 -5.606 -5.170 20 HB ILE 4 HB ILE 4 9.722 -7.315 -3.499 21 HG12 ILE 4 1HG1 ILE 4 8.795 -8.677 -5.951 22 HG13 ILE 4 2HG1 ILE 4 10.263 -7.724 -6.130 23 HG21 ILE 4 1HG2 ILE 4 7.633 -8.570 -3.588 24 HG22 ILE 4 2HG2 ILE 4 7.332 -6.863 -3.267 25 HG23 ILE 4 3HG2 ILE 4 7.049 -7.521 -4.879 26 HD11 ILE 4 3HD1 ILE 4 11.101 -8.984 -4.069 27 HD12 ILE 4 1HD1 ILE 4 9.769 -10.098 -4.378 28 HD13 ILE 4 2HD1 ILE 4 11.018 -9.855 -5.600 29 H TYR 5 H TYR 5 6.778 -5.139 -5.152 30 HA TYR 5 HA TYR 5 6.462 -5.960 -7.906 31 HD1 TYR 5 HD2 TYR 5 5.635 -7.765 -7.684 32 HD2 TYR 5 HD1 TYR 5 3.223 -6.063 -4.620 33 HE1 TYR 5 HE2 TYR 5 5.150 -10.017 -6.823 34 HE2 TYR 5 HE1 TYR 5 2.733 -8.311 -3.750 35 HH TYR 5 HH TYR 5 4.430 -10.923 -4.345 36 HB2 TYR 5 1HB TYR 5 4.540 -4.662 -5.965 37 HB3 TYR 5 2HB TYR 5 4.110 -5.191 -7.587 38 H LYS 6 H LYS 6 6.527 -2.941 -6.071 39 HA LYS 6 HA LYS 6 5.849 -1.193 -8.154 40 HB2 LYS 6 1HB LYS 6 7.525 -0.795 -5.676 41 HB3 LYS 6 2HB LYS 6 7.110 0.518 -6.770 42 HG2 LYS 6 1HG LYS 6 5.097 0.742 -5.868 43 HG3 LYS 6 2HG LYS 6 4.768 -0.987 -6.002 44 HD2 LYS 6 1HD LYS 6 5.356 -1.393 -3.862 45 HD3 LYS 6 2HD LYS 6 6.682 -0.229 -3.897 46 HE2 LYS 6 1HE LYS 6 5.326 0.938 -2.521 47 HE3 LYS 6 2HE LYS 6 4.584 1.449 -4.036 48 HZ1 LYS 6 3HZ LYS 6 2.741 0.248 -3.639 49 HZ2 LYS 6 1HZ LYS 6 3.225 0.370 -2.023 50 HZ3 LYS 6 2HZ LYS 6 3.576 -1.028 -2.907 51 H ALA 7 H ALA 7 8.958 -2.531 -7.156 52 HA ALA 7 HA ALA 7 10.618 -0.974 -8.789 53 HB1 ALA 7 1HB ALA 7 10.858 -3.481 -7.287 54 HB2 ALA 7 2HB ALA 7 11.947 -3.341 -8.668 55 HB3 ALA 7 3HB ALA 7 11.966 -2.112 -7.402 56 H ALA 8 H ALA 8 8.753 -3.876 -9.461 57 HA ALA 8 HA ALA 8 9.904 -4.255 -12.075 58 HB1 ALA 8 1HB ALA 8 8.170 -5.728 -10.309 59 HB2 ALA 8 2HB ALA 8 7.516 -5.695 -11.948 60 HB3 ALA 8 3HB ALA 8 9.147 -6.302 -11.661 61 H VAL 9 H VAL 9 7.217 -2.541 -10.712 62 HA VAL 9 HA VAL 9 5.717 -2.273 -13.129 63 HB VAL 9 HB VAL 9 5.617 -0.587 -10.623 64 HG11 VAL 9 1HG1 VAL 9 3.601 -0.879 -12.848 65 HG12 VAL 9 2HG1 VAL 9 3.419 0.103 -11.393 66 HG13 VAL 9 3HG1 VAL 9 4.646 0.518 -12.591 67 HG21 VAL 9 3HG2 VAL 9 4.644 -2.329 -9.647 68 HG22 VAL 9 1HG2 VAL 9 3.368 -2.272 -10.863 69 HG23 VAL 9 2HG2 VAL 9 4.793 -3.277 -11.126 70 H GLU 10 H GLU 10 7.908 -0.119 -11.336 71 HA GLU 10 HA GLU 10 7.747 2.023 -13.178 72 HB2 GLU 10 1HB GLU 10 9.383 1.328 -10.828 73 HB3 GLU 10 2HB GLU 10 10.178 2.375 -11.995 74 HG2 GLU 10 1HG GLU 10 7.647 3.469 -11.702 75 HG3 GLU 10 2HG GLU 10 8.112 2.982 -10.073 76 H GLN 11 H GLN 11 9.602 -0.903 -13.094 77 HA GLN 11 HA GLN 11 11.444 0.012 -15.151 78 HB2 GLN 11 1HB GLN 11 12.707 -1.875 -14.714 79 HB3 GLN 11 2HB GLN 11 11.975 -1.570 -13.145 80 HG2 GLN 11 1HG GLN 11 10.208 -3.232 -13.737 81 HG3 GLN 11 2HG GLN 11 11.143 -3.619 -15.180 82 HE21 GLN 11 2HE2 GLN 11 11.837 -5.621 -14.769 83 HE22 GLN 11 1HE2 GLN 11 12.777 -6.082 -13.394 84 H LEU 12 H LEU 12 8.385 -0.654 -15.360 85 HA LEU 12 HA LEU 12 8.185 -2.787 -17.214 86 HG LEU 12 HG LEU 12 6.433 -2.469 -14.929 87 HB2 LEU 12 1HB LEU 12 6.395 -0.513 -16.441 88 HB3 LEU 12 2HB LEU 12 5.969 -1.582 -17.775 89 HD11 LEU 12 1HD1 LEU 12 4.435 -1.073 -15.140 90 HD12 LEU 12 2HD1 LEU 12 4.021 -2.756 -14.816 91 HD13 LEU 12 3HD1 LEU 12 3.853 -2.105 -16.447 92 HD21 LEU 12 3HD2 LEU 12 5.391 -3.938 -17.349 93 HD22 LEU 12 1HD2 LEU 12 5.438 -4.575 -15.706 94 HD23 LEU 12 2HD2 LEU 12 6.941 -4.204 -16.550 95 H THR 13 H THR 13 7.008 -2.190 -19.428 96 HA THR 13 HA THR 13 8.864 -0.386 -20.824 97 HB THR 13 HB THR 13 9.009 -2.600 -21.711 98 HG1 THR 13 HG1 THR 13 8.980 -0.993 -23.314 99 HG21 THR 13 3HG2 THR 13 7.281 -3.990 -21.472 100 HG22 THR 13 1HG2 THR 13 6.505 -3.166 -22.824 101 HG23 THR 13 2HG2 THR 13 6.176 -2.649 -21.170 102 H GLU 14 H GLU 14 8.034 0.910 -22.587 103 HA GLU 14 HA GLU 14 5.905 2.526 -21.925 104 HB2 GLU 14 1HB GLU 14 6.846 1.953 -24.739 105 HB3 GLU 14 2HB GLU 14 5.998 3.391 -24.189 106 HG2 GLU 14 1HG GLU 14 7.983 3.752 -22.629 107 HG3 GLU 14 2HG GLU 14 8.813 2.546 -23.611 108 H GLU 15 H GLU 15 5.915 -0.406 -23.877 109 HA GLU 15 HA GLU 15 3.259 -0.206 -24.820 110 HB2 GLU 15 1HB GLU 15 4.752 -2.780 -24.332 111 HB3 GLU 15 2HB GLU 15 3.485 -2.476 -25.512 112 HG2 GLU 15 1HG GLU 15 5.181 -0.720 -26.441 113 HG3 GLU 15 2HG GLU 15 6.359 -1.705 -25.575 114 H GLN 16 H GLN 16 4.677 -1.657 -21.936 115 HA GLN 16 HA GLN 16 2.398 -3.002 -21.007 116 HB2 GLN 16 1HB GLN 16 4.912 -1.996 -19.758 117 HB3 GLN 16 2HB GLN 16 3.598 -2.487 -18.697 118 HG2 GLN 16 1HG GLN 16 4.539 -4.297 -20.881 119 HG3 GLN 16 2HG GLN 16 5.412 -4.201 -19.352 120 HE21 GLN 16 2HE2 GLN 16 4.870 -5.729 -17.988 121 HE22 GLN 16 1HE2 GLN 16 3.307 -6.446 -17.819 122 H LYS 17 H LYS 17 3.699 0.131 -19.895 123 HA LYS 17 HA LYS 17 1.573 0.854 -18.269 124 HB2 LYS 17 1HB LYS 17 3.848 2.189 -19.504 125 HB3 LYS 17 2HB LYS 17 2.459 3.256 -19.350 126 HG2 LYS 17 1HG LYS 17 3.780 3.520 -17.399 127 HG3 LYS 17 2HG LYS 17 2.338 2.614 -16.936 128 HD2 LYS 17 1HD LYS 17 3.537 0.575 -16.839 129 HD3 LYS 17 2HD LYS 17 4.937 1.276 -17.654 130 HE2 LYS 17 1HE LYS 17 4.119 2.608 -15.158 131 HE3 LYS 17 2HE LYS 17 4.728 0.963 -14.974 132 HZ1 LYS 17 3HZ LYS 17 6.122 3.328 -16.063 133 HZ2 LYS 17 1HZ LYS 17 6.651 1.761 -16.421 134 HZ3 LYS 17 2HZ LYS 17 6.609 2.293 -14.816 135 H ASN 18 H ASN 18 1.996 1.299 -21.744 136 HA ASN 18 HA ASN 18 -0.291 2.920 -22.141 137 HB2 ASN 18 1HB ASN 18 1.516 1.321 -23.903 138 HB3 ASN 18 2HB ASN 18 -0.022 1.874 -24.560 139 HD21 ASN 18 2HD2 ASN 18 2.954 2.592 -24.870 140 HD22 ASN 18 1HD2 ASN 18 2.947 4.319 -24.823 141 H GLU 19 H GLU 19 0.193 -0.516 -21.869 142 HA GLU 19 HA GLU 19 -2.323 -1.273 -22.997 143 HB2 GLU 19 1HB GLU 19 -0.134 -2.658 -21.524 144 HB3 GLU 19 2HB GLU 19 -1.710 -3.434 -21.575 145 HG2 GLU 19 1HG GLU 19 -0.290 -2.496 -24.047 146 HG3 GLU 19 2HG GLU 19 -0.055 -4.103 -23.360 147 H PHE 20 H PHE 20 -1.084 -1.144 -19.659 148 HA PHE 20 HA PHE 20 -3.528 -1.804 -18.424 149 HD1 PHE 20 HD1 PHE 20 -2.465 -3.535 -18.141 150 HD2 PHE 20 HD2 PHE 20 0.633 -1.238 -16.341 151 HE1 PHE 20 HE1 PHE 20 -1.013 -5.520 -18.116 152 HE2 PHE 20 HE2 PHE 20 2.091 -3.219 -16.313 153 HZ PHE 20 HZ PHE 20 1.269 -5.364 -17.202 154 HB2 PHE 20 1HB PHE 20 -1.270 -0.167 -17.255 155 HB3 PHE 20 2HB PHE 20 -2.499 -1.054 -16.360 156 H LYS 21 H LYS 21 -1.987 1.336 -19.044 157 HA LYS 21 HA LYS 21 -3.888 2.972 -17.839 158 HB2 LYS 21 1HB LYS 21 -1.607 3.592 -18.842 159 HB3 LYS 21 2HB LYS 21 -2.451 3.716 -20.380 160 HG2 LYS 21 1HG LYS 21 -4.047 5.294 -19.047 161 HG3 LYS 21 2HG LYS 21 -2.668 5.433 -17.955 162 HD2 LYS 21 1HD LYS 21 -2.310 5.804 -20.905 163 HD3 LYS 21 2HD LYS 21 -2.919 7.125 -19.905 164 HE2 LYS 21 1HE LYS 21 -0.367 5.627 -19.339 165 HE3 LYS 21 2HE LYS 21 -0.439 7.125 -20.266 166 HZ1 LYS 21 3HZ LYS 21 -1.457 8.191 -18.314 167 HZ2 LYS 21 1HZ LYS 21 0.101 7.612 -17.996 168 HZ3 LYS 21 2HZ LYS 21 -1.248 6.762 -17.433 169 H ALA 22 H ALA 22 -3.896 1.414 -20.979 170 HA ALA 22 HA ALA 22 -6.230 2.835 -21.905 171 HB1 ALA 22 1HB ALA 22 -6.109 1.314 -23.835 172 HB2 ALA 22 2HB ALA 22 -4.569 2.113 -23.514 173 HB3 ALA 22 3HB ALA 22 -4.805 0.431 -23.040 174 H ALA 23 H ALA 23 -5.567 -0.599 -21.181 175 HA ALA 23 HA ALA 23 -8.171 -1.531 -21.332 176 HB1 ALA 23 1HB ALA 23 -7.058 -3.416 -20.977 177 HB2 ALA 23 2HB ALA 23 -5.654 -2.519 -20.398 178 HB3 ALA 23 3HB ALA 23 -6.927 -2.987 -19.271 179 H PHE 24 H PHE 24 -6.610 0.287 -18.814 180 HA PHE 24 HA PHE 24 -8.495 -0.293 -16.756 181 HD1 PHE 24 HD2 PHE 24 -7.425 0.248 -13.984 182 HD2 PHE 24 HD1 PHE 24 -7.793 3.798 -16.304 183 HE1 PHE 24 HE2 PHE 24 -8.317 1.434 -12.022 184 HE2 PHE 24 HE1 PHE 24 -8.684 4.990 -14.345 185 HZ PHE 24 HZ PHE 24 -8.948 3.808 -12.200 186 HB2 PHE 24 1HB PHE 24 -6.308 0.473 -16.121 187 HB3 PHE 24 2HB PHE 24 -6.481 1.934 -17.088 188 H ASP 25 H ASP 25 -8.292 2.061 -19.323 189 HA ASP 25 HA ASP 25 -10.230 3.876 -18.353 190 HB2 ASP 25 1HB ASP 25 -8.520 4.121 -20.306 191 HB3 ASP 25 2HB ASP 25 -9.792 3.394 -21.284 192 H ILE 26 H ILE 26 -10.452 1.043 -20.466 193 HA ILE 26 HA ILE 26 -13.199 1.305 -21.067 194 HB ILE 26 HB ILE 26 -11.525 -1.209 -21.009 195 HG12 ILE 26 1HG1 ILE 26 -11.870 -0.516 -23.638 196 HG13 ILE 26 2HG1 ILE 26 -11.702 1.060 -22.872 197 HG21 ILE 26 1HG2 ILE 26 -14.125 -0.632 -22.424 198 HG22 ILE 26 2HG2 ILE 26 -13.194 -2.125 -22.528 199 HG23 ILE 26 3HG2 ILE 26 -13.933 -1.652 -20.999 200 HD11 ILE 26 3HD1 ILE 26 -9.519 0.684 -23.216 201 HD12 ILE 26 1HD1 ILE 26 -9.652 -0.248 -21.725 202 HD13 ILE 26 2HD1 ILE 26 -9.720 -1.066 -23.286 203 H PHE 27 H PHE 27 -11.460 -0.326 -18.471 204 HA PHE 27 HA PHE 27 -13.628 -1.755 -17.393 205 HD1 PHE 27 HD2 PHE 27 -11.214 -2.507 -18.659 206 HD2 PHE 27 HD1 PHE 27 -11.584 -3.569 -14.554 207 HE1 PHE 27 HE2 PHE 27 -10.555 -4.815 -19.200 208 HE2 PHE 27 HE1 PHE 27 -10.925 -5.878 -15.088 209 HZ PHE 27 HZ PHE 27 -10.411 -6.505 -17.414 210 HB2 PHE 27 1HB PHE 27 -10.977 -0.844 -16.362 211 HB3 PHE 27 2HB PHE 27 -12.163 -1.449 -15.211 212 H VAL 28 H VAL 28 -12.248 1.386 -16.432 213 HA VAL 28 HA VAL 28 -14.472 1.900 -14.650 214 HB VAL 28 HB VAL 28 -13.347 3.961 -14.081 215 HG11 VAL 28 1HG1 VAL 28 -10.885 2.560 -14.040 216 HG12 VAL 28 2HG1 VAL 28 -12.063 2.747 -12.739 217 HG13 VAL 28 3HG1 VAL 28 -12.180 1.379 -13.847 218 HG21 VAL 28 3HG2 VAL 28 -11.999 3.497 -16.648 219 HG22 VAL 28 1HG2 VAL 28 -12.368 5.006 -15.814 220 HG23 VAL 28 2HG2 VAL 28 -10.948 4.068 -15.352 221 H LEU 29 H LEU 29 -14.278 1.958 -17.859 222 HA LEU 29 HA LEU 29 -15.189 4.522 -18.602 223 HG LEU 29 HG LEU 29 -17.019 1.622 -19.762 224 HB2 LEU 29 1HB LEU 29 -15.076 3.695 -20.662 225 HB3 LEU 29 2HB LEU 29 -14.459 2.222 -19.916 226 HD11 LEU 29 1HD1 LEU 29 -17.296 4.045 -20.933 227 HD12 LEU 29 2HD1 LEU 29 -18.458 2.728 -21.086 228 HD13 LEU 29 3HD1 LEU 29 -17.257 2.993 -22.349 229 HD21 LEU 29 3HD2 LEU 29 -16.654 0.931 -22.348 230 HD22 LEU 29 1HD2 LEU 29 -15.929 0.078 -20.984 231 HD23 LEU 29 2HD2 LEU 29 -14.993 1.283 -21.869 232 H GLY 30 H GLY 30 -16.759 1.854 -17.105 233 HA2 GLY 30 1HA GLY 30 -19.429 2.732 -17.859 234 HA3 GLY 30 2HA GLY 30 -19.031 1.349 -16.849 235 H ALA 31 H ALA 31 -17.228 3.081 -15.194 236 HA ALA 31 HA ALA 31 -19.182 3.835 -13.254 237 HB1 ALA 31 1HB ALA 31 -17.156 4.710 -12.013 238 HB2 ALA 31 2HB ALA 31 -17.148 2.991 -12.410 239 HB3 ALA 31 3HB ALA 31 -16.192 4.121 -13.368 240 H GLU 32 H GLU 32 -18.627 6.097 -12.103 241 HA GLU 32 HA GLU 32 -19.005 8.121 -14.203 242 HB2 GLU 32 1HB GLU 32 -20.812 7.678 -12.434 243 HB3 GLU 32 2HB GLU 32 -19.720 8.459 -11.298 244 HG2 GLU 32 1HG GLU 32 -21.061 10.206 -11.927 245 HG3 GLU 32 2HG GLU 32 -19.707 10.384 -13.041 246 H ASP 33 H ASP 33 -17.351 7.495 -11.138 247 HA ASP 33 HA ASP 33 -15.805 9.940 -11.363 248 HB2 ASP 33 1HB ASP 33 -16.671 8.916 -9.173 249 HB3 ASP 33 2HB ASP 33 -15.365 7.747 -9.344 250 H GLY 34 H GLY 34 -15.402 6.497 -11.871 251 HA2 GLY 34 1HA GLY 34 -13.777 5.849 -13.585 252 HA3 GLY 34 2HA GLY 34 -12.692 7.053 -12.907 253 H CYS 35 H CYS 35 -14.607 4.336 -11.609 254 HA CYS 35 HA CYS 35 -12.151 3.110 -10.625 255 HG CYS 35 HG CYS 35 -15.940 3.273 -8.768 256 HB2 CYS 35 1HB CYS 35 -13.268 2.766 -8.367 257 HB3 CYS 35 2HB CYS 35 -12.713 4.399 -8.715 258 H ILE 36 H ILE 36 -12.755 0.955 -9.480 259 HA ILE 36 HA ILE 36 -15.003 -0.307 -10.901 260 HB ILE 36 HB ILE 36 -12.260 -1.509 -10.509 261 HG12 ILE 36 1HG1 ILE 36 -13.363 -1.298 -13.218 262 HG13 ILE 36 2HG1 ILE 36 -13.077 0.261 -12.454 263 HG21 ILE 36 1HG2 ILE 36 -13.180 -3.370 -11.887 264 HG22 ILE 36 2HG2 ILE 36 -13.914 -3.224 -10.291 265 HG23 ILE 36 3HG2 ILE 36 -14.777 -2.642 -11.715 266 HD11 ILE 36 3HD1 ILE 36 -11.081 -1.925 -12.963 267 HD12 ILE 36 1HD1 ILE 36 -11.133 -0.316 -13.683 268 HD13 ILE 36 2HD1 ILE 36 -10.749 -0.505 -11.972 269 H SER 37 H SER 37 -16.419 -1.008 -9.456 270 HA SER 37 HA SER 37 -15.564 -1.650 -6.750 271 HG SER 37 HG SER 37 -18.370 -1.230 -8.990 272 HB2 SER 37 1HB SER 37 -17.954 -1.738 -6.229 273 HB3 SER 37 2HB SER 37 -17.573 -0.252 -7.098 274 H THR 38 H THR 38 -16.066 -3.630 -5.709 275 HA THR 38 HA THR 38 -15.421 -5.932 -7.113 276 HB THR 38 HB THR 38 -15.151 -5.997 -4.764 277 HG1 THR 38 HG1 THR 38 -17.438 -7.625 -4.997 278 HG21 THR 38 3HG2 THR 38 -17.746 -4.729 -4.752 279 HG22 THR 38 1HG2 THR 38 -16.521 -4.783 -3.486 280 HG23 THR 38 2HG2 THR 38 -17.701 -6.086 -3.626 281 H LYS 39 H LYS 39 -18.483 -4.360 -6.731 282 HA LYS 39 HA LYS 39 -20.188 -6.531 -7.299 283 HB2 LYS 39 1HB LYS 39 -20.656 -4.046 -6.489 284 HB3 LYS 39 2HB LYS 39 -20.906 -3.783 -8.210 285 HG2 LYS 39 1HG LYS 39 -22.289 -6.072 -6.913 286 HG3 LYS 39 2HG LYS 39 -22.890 -4.438 -6.619 287 HD2 LYS 39 1HD LYS 39 -22.714 -4.235 -9.226 288 HD3 LYS 39 2HD LYS 39 -22.781 -5.998 -9.164 289 HE2 LYS 39 1HE LYS 39 -24.791 -4.209 -7.811 290 HE3 LYS 39 2HE LYS 39 -24.996 -4.833 -9.447 291 HZ1 LYS 39 3HZ LYS 39 -25.440 -6.897 -8.700 292 HZ2 LYS 39 1HZ LYS 39 -25.899 -6.081 -7.291 293 HZ3 LYS 39 2HZ LYS 39 -24.370 -6.794 -7.394 294 H GLU 40 H GLU 40 -19.050 -3.918 -9.449 295 HA GLU 40 HA GLU 40 -20.022 -5.228 -11.797 296 HB2 GLU 40 1HB GLU 40 -17.979 -3.012 -11.709 297 HB3 GLU 40 2HB GLU 40 -19.086 -3.408 -13.016 298 HG2 GLU 40 1HG GLU 40 -19.927 -2.391 -10.312 299 HG3 GLU 40 2HG GLU 40 -19.727 -1.389 -11.749 300 H LEU 41 H LEU 41 -16.912 -4.978 -10.175 301 HA LEU 41 HA LEU 41 -15.203 -5.933 -12.117 302 HG LEU 41 HG LEU 41 -13.564 -7.998 -9.961 303 HB2 LEU 41 1HB LEU 41 -14.428 -5.123 -9.971 304 HB3 LEU 41 2HB LEU 41 -15.180 -6.492 -9.155 305 HD11 LEU 41 1HD1 LEU 41 -13.202 -5.974 -12.062 306 HD12 LEU 41 2HD1 LEU 41 -13.093 -7.732 -12.142 307 HD13 LEU 41 3HD1 LEU 41 -11.731 -6.791 -11.534 308 HD21 LEU 41 3HD2 LEU 41 -11.379 -6.847 -9.392 309 HD22 LEU 41 1HD2 LEU 41 -12.644 -6.778 -8.165 310 HD23 LEU 41 2HD2 LEU 41 -12.324 -5.372 -9.180 311 H GLY 42 H GLY 42 -17.562 -7.669 -10.218 312 HA2 GLY 42 1HA GLY 42 -16.632 -10.289 -10.577 313 HA3 GLY 42 2HA GLY 42 -18.310 -9.836 -10.315 314 H LYS 43 H LYS 43 -18.673 -8.276 -12.646 315 HA LYS 43 HA LYS 43 -19.387 -10.271 -14.493 316 HB2 LYS 43 1HB LYS 43 -20.380 -8.593 -15.678 317 HB3 LYS 43 2HB LYS 43 -20.162 -7.742 -14.154 318 HG2 LYS 43 1HG LYS 43 -18.083 -6.760 -15.024 319 HG3 LYS 43 2HG LYS 43 -18.365 -7.573 -16.565 320 HD2 LYS 43 1HD LYS 43 -20.653 -6.368 -16.512 321 HD3 LYS 43 2HD LYS 43 -19.898 -5.328 -15.302 322 HE2 LYS 43 1HE LYS 43 -19.434 -4.164 -17.227 323 HE3 LYS 43 2HE LYS 43 -17.986 -5.161 -17.084 324 HZ1 LYS 43 3HZ LYS 43 -20.080 -6.464 -18.536 325 HZ2 LYS 43 1HZ LYS 43 -18.463 -6.214 -18.967 326 HZ3 LYS 43 2HZ LYS 43 -19.612 -5.009 -19.260 327 H VAL 44 H VAL 44 -16.574 -8.173 -14.262 328 HA VAL 44 HA VAL 44 -15.502 -8.734 -16.819 329 HB VAL 44 HB VAL 44 -13.992 -7.940 -14.326 330 HG11 VAL 44 1HG1 VAL 44 -12.161 -7.866 -15.583 331 HG12 VAL 44 2HG1 VAL 44 -13.074 -8.656 -16.871 332 HG13 VAL 44 3HG1 VAL 44 -12.979 -6.896 -16.807 333 HG21 VAL 44 3HG2 VAL 44 -15.479 -6.306 -16.365 334 HG22 VAL 44 1HG2 VAL 44 -15.656 -6.297 -14.610 335 HG23 VAL 44 2HG2 VAL 44 -14.206 -5.623 -15.354 336 H MET 45 H MET 45 -15.189 -10.295 -13.681 337 HA MET 45 HA MET 45 -13.031 -11.955 -14.111 338 HB2 MET 45 1HB MET 45 -15.590 -12.535 -12.612 339 HB3 MET 45 2HB MET 45 -14.139 -13.523 -12.509 340 HG2 MET 45 1HG MET 45 -13.711 -10.672 -11.992 341 HG3 MET 45 2HG MET 45 -14.760 -11.485 -10.833 342 HE1 MET 45 3HE MET 45 -10.550 -13.073 -11.826 343 HE2 MET 45 1HE MET 45 -12.000 -13.652 -12.647 344 HE3 MET 45 2HE MET 45 -11.480 -11.979 -12.852 345 H ARG 46 H ARG 46 -16.334 -12.285 -15.260 346 HA ARG 46 HA ARG 46 -16.167 -14.946 -16.168 347 HE ARG 46 HE ARG 46 -19.540 -15.081 -12.992 348 HB2 ARG 46 1HB ARG 46 -17.864 -12.733 -17.331 349 HB3 ARG 46 2HB ARG 46 -18.154 -14.462 -17.457 350 HG2 ARG 46 1HG ARG 46 -18.112 -12.993 -14.836 351 HG3 ARG 46 2HG ARG 46 -19.575 -13.230 -15.794 352 HD2 ARG 46 1HD ARG 46 -19.033 -15.710 -15.734 353 HD3 ARG 46 2HD ARG 46 -17.839 -15.315 -14.498 354 HH11 ARG 46 1HH1 ARG 46 -20.857 -14.935 -16.211 355 HH12 ARG 46 2HH1 ARG 46 -22.505 -14.931 -15.677 356 HH21 ARG 46 1HH2 ARG 46 -21.706 -15.077 -12.276 357 HH22 ARG 46 2HH2 ARG 46 -22.987 -15.011 -13.438 358 H MET 47 H MET 47 -15.281 -11.878 -17.633 359 HA MET 47 HA MET 47 -14.884 -12.838 -20.262 360 HB2 MET 47 1HB MET 47 -13.564 -10.491 -18.886 361 HB3 MET 47 2HB MET 47 -13.622 -10.769 -20.622 362 HG2 MET 47 1HG MET 47 -16.129 -10.528 -19.005 363 HG3 MET 47 2HG MET 47 -15.271 -9.104 -19.589 364 HE1 MET 47 3HE MET 47 -16.958 -8.062 -21.652 365 HE2 MET 47 1HE MET 47 -15.201 -8.218 -21.659 366 HE3 MET 47 2HE MET 47 -16.133 -8.678 -23.084 367 H LEU 48 H LEU 48 -12.904 -12.847 -17.392 368 HA LEU 48 HA LEU 48 -10.446 -13.446 -18.723 369 HG LEU 48 HG LEU 48 -9.521 -11.966 -15.463 370 HB2 LEU 48 1HB LEU 48 -11.373 -13.538 -15.875 371 HB3 LEU 48 2HB LEU 48 -9.801 -14.188 -16.337 372 HD11 LEU 48 1HD1 LEU 48 -8.246 -11.014 -17.197 373 HD12 LEU 48 2HD1 LEU 48 -9.262 -11.729 -18.447 374 HD13 LEU 48 3HD1 LEU 48 -8.203 -12.755 -17.479 375 HD21 LEU 48 3HD2 LEU 48 -10.584 -10.027 -16.427 376 HD22 LEU 48 1HD2 LEU 48 -11.819 -11.179 -15.919 377 HD23 LEU 48 2HD2 LEU 48 -11.403 -11.030 -17.626 378 H GLY 49 H GLY 49 -13.159 -15.291 -17.633 379 HA2 GLY 49 1HA GLY 49 -13.425 -17.491 -18.677 380 HA3 GLY 49 2HA GLY 49 -11.714 -17.759 -18.377 381 H GLN 50 H GLN 50 -13.196 -16.153 -15.812 382 HA GLN 50 HA GLN 50 -13.763 -18.669 -14.404 383 HB2 GLN 50 1HB GLN 50 -12.011 -16.401 -13.469 384 HB3 GLN 50 2HB GLN 50 -12.708 -17.573 -12.358 385 HG2 GLN 50 1HG GLN 50 -10.606 -18.430 -12.746 386 HG3 GLN 50 2HG GLN 50 -11.604 -19.335 -13.882 387 HE21 GLN 50 2HE2 GLN 50 -10.044 -16.144 -13.881 388 HE22 GLN 50 1HE2 GLN 50 -9.251 -16.343 -15.403 389 H ASN 51 H ASN 51 -15.143 -18.434 -12.530 390 HA ASN 51 HA ASN 51 -16.647 -15.924 -12.391 391 HB2 ASN 51 1HB ASN 51 -18.787 -17.171 -12.382 392 HB3 ASN 51 2HB ASN 51 -17.927 -17.329 -13.911 393 HD21 ASN 51 2HD2 ASN 51 -19.648 -19.149 -13.794 394 HD22 ASN 51 1HD2 ASN 51 -19.052 -20.677 -13.253 395 HA PRO 52 HA PRO 52 -15.563 -17.776 -8.243 396 HB2 PRO 52 1HB PRO 52 -14.407 -15.527 -7.256 397 HB3 PRO 52 2HB PRO 52 -13.514 -16.739 -8.183 398 HG2 PRO 52 1HG PRO 52 -14.663 -14.128 -9.090 399 HG3 PRO 52 2HG PRO 52 -13.088 -14.849 -9.469 400 HD2 PRO 52 1HD PRO 52 -15.184 -14.944 -11.181 401 HD3 PRO 52 2HD PRO 52 -13.971 -16.237 -11.083 402 H THR 53 H THR 53 -16.394 -17.142 -6.156 403 HA THR 53 HA THR 53 -19.006 -16.194 -6.192 404 HB THR 53 HB THR 53 -18.339 -15.710 -3.616 405 HG1 THR 53 HG1 THR 53 -16.598 -17.831 -4.266 406 HG21 THR 53 3HG2 THR 53 -18.727 -18.440 -4.849 407 HG22 THR 53 1HG2 THR 53 -20.012 -17.318 -4.405 408 HG23 THR 53 2HG2 THR 53 -18.989 -18.026 -3.155 409 HA PRO 54 HA PRO 54 -18.835 -11.809 -6.109 410 HB2 PRO 54 1HB PRO 54 -20.820 -11.188 -4.365 411 HB3 PRO 54 2HB PRO 54 -21.129 -11.820 -5.986 412 HG2 PRO 54 1HG PRO 54 -21.113 -13.261 -3.363 413 HG3 PRO 54 2HG PRO 54 -22.255 -13.406 -4.712 414 HD2 PRO 54 1HD PRO 54 -20.265 -15.192 -4.290 415 HD3 PRO 54 2HD PRO 54 -20.854 -14.785 -5.914 416 H GLU 55 H GLU 55 -19.253 -13.117 -2.813 417 HA GLU 55 HA GLU 55 -18.109 -10.905 -1.493 418 HB2 GLU 55 1HB GLU 55 -18.227 -13.767 -0.528 419 HB3 GLU 55 2HB GLU 55 -18.022 -12.334 0.470 420 HG2 GLU 55 1HG GLU 55 -20.248 -11.574 -0.116 421 HG3 GLU 55 2HG GLU 55 -20.457 -12.962 -1.183 422 H GLU 56 H GLU 56 -16.732 -13.750 -2.966 423 HA GLU 56 HA GLU 56 -14.187 -13.639 -1.738 424 HB2 GLU 56 1HB GLU 56 -15.391 -15.019 -4.060 425 HB3 GLU 56 2HB GLU 56 -13.648 -14.801 -4.123 426 HG2 GLU 56 1HG GLU 56 -15.026 -15.996 -1.742 427 HG3 GLU 56 2HG GLU 56 -14.508 -16.963 -3.122 428 H LEU 57 H LEU 57 -15.611 -11.958 -4.438 429 HA LEU 57 HA LEU 57 -13.325 -11.064 -5.756 430 HG LEU 57 HG LEU 57 -15.974 -11.878 -6.730 431 HB2 LEU 57 1HB LEU 57 -16.006 -9.747 -5.379 432 HB3 LEU 57 2HB LEU 57 -14.760 -9.134 -6.464 433 HD11 LEU 57 1HD1 LEU 57 -17.414 -10.992 -8.439 434 HD12 LEU 57 2HD1 LEU 57 -16.740 -9.376 -8.227 435 HD13 LEU 57 3HD1 LEU 57 -17.695 -10.109 -6.938 436 HD21 LEU 57 3HD2 LEU 57 -13.698 -10.826 -7.828 437 HD22 LEU 57 1HD2 LEU 57 -14.906 -10.493 -9.070 438 HD23 LEU 57 2HD2 LEU 57 -14.648 -12.147 -8.511 439 H GLN 58 H GLN 58 -15.202 -9.382 -3.232 440 HA GLN 58 HA GLN 58 -13.522 -7.176 -2.956 441 HB2 GLN 58 1HB GLN 58 -15.663 -7.066 -1.949 442 HB3 GLN 58 2HB GLN 58 -15.390 -8.539 -1.027 443 HG2 GLN 58 1HG GLN 58 -14.267 -7.474 0.608 444 HG3 GLN 58 2HG GLN 58 -13.521 -6.325 -0.502 445 HE21 GLN 58 2HE2 GLN 58 -14.490 -4.386 -0.881 446 HE22 GLN 58 1HE2 GLN 58 -15.891 -3.834 -0.034 447 H GLU 59 H GLU 59 -13.151 -10.430 -1.850 448 HA GLU 59 HA GLU 59 -11.377 -10.051 0.282 449 HB2 GLU 59 1HB GLU 59 -12.554 -12.208 -0.655 450 HB3 GLU 59 2HB GLU 59 -11.062 -12.379 -1.569 451 HG2 GLU 59 1HG GLU 59 -10.631 -13.633 0.308 452 HG3 GLU 59 2HG GLU 59 -9.906 -12.081 0.725 453 H MET 60 H MET 60 -10.658 -10.748 -3.141 454 HA MET 60 HA MET 60 -7.854 -10.429 -2.847 455 HB2 MET 60 1HB MET 60 -9.713 -10.551 -5.202 456 HB3 MET 60 2HB MET 60 -8.012 -10.167 -5.426 457 HG2 MET 60 1HG MET 60 -7.568 -12.317 -4.091 458 HG3 MET 60 2HG MET 60 -9.253 -12.701 -4.436 459 HE1 MET 60 3HE MET 60 -10.109 -12.774 -7.317 460 HE2 MET 60 1HE MET 60 -9.234 -14.254 -7.712 461 HE3 MET 60 2HE MET 60 -9.906 -14.032 -6.096 462 H ILE 61 H ILE 61 -10.473 -8.227 -3.399 463 HA ILE 61 HA ILE 61 -8.881 -6.080 -4.422 464 HB ILE 61 HB ILE 61 -11.650 -6.083 -3.221 465 HG12 ILE 61 1HG1 ILE 61 -10.691 -5.945 -6.088 466 HG13 ILE 61 2HG1 ILE 61 -11.456 -7.333 -5.322 467 HG21 ILE 61 1HG2 ILE 61 -11.872 -3.840 -4.238 468 HG22 ILE 61 2HG2 ILE 61 -10.677 -3.894 -2.944 469 HG23 ILE 61 3HG2 ILE 61 -10.153 -3.877 -4.628 470 HD11 ILE 61 3HD1 ILE 61 -13.349 -6.538 -6.170 471 HD12 ILE 61 1HD1 ILE 61 -13.272 -5.327 -4.892 472 HD13 ILE 61 2HD1 ILE 61 -12.641 -4.957 -6.497 473 H ASP 62 H ASP 62 -9.613 -7.301 -1.286 474 HA ASP 62 HA ASP 62 -9.229 -4.950 0.231 475 HB2 ASP 62 1HB ASP 62 -10.294 -6.922 1.189 476 HB3 ASP 62 2HB ASP 62 -8.809 -7.848 0.992 477 H GLU 63 H GLU 63 -7.001 -7.597 -0.607 478 HA GLU 63 HA GLU 63 -4.748 -6.385 0.640 479 HB2 GLU 63 1HB GLU 63 -5.311 -8.805 -0.884 480 HB3 GLU 63 2HB GLU 63 -3.740 -8.119 -1.276 481 HG2 GLU 63 1HG GLU 63 -3.860 -9.848 0.593 482 HG3 GLU 63 2HG GLU 63 -2.948 -8.370 0.894 483 H VAL 64 H VAL 64 -6.286 -6.005 -2.414 484 HA VAL 64 HA VAL 64 -3.990 -4.880 -3.752 485 HB VAL 64 HB VAL 64 -6.907 -4.961 -4.530 486 HG11 VAL 64 1HG1 VAL 64 -5.921 -3.032 -5.562 487 HG12 VAL 64 2HG1 VAL 64 -4.512 -3.966 -6.067 488 HG13 VAL 64 3HG1 VAL 64 -6.091 -4.293 -6.783 489 HG21 VAL 64 3HG2 VAL 64 -4.916 -6.394 -6.131 490 HG22 VAL 64 1HG2 VAL 64 -5.097 -6.999 -4.484 491 HG23 VAL 64 2HG2 VAL 64 -6.498 -6.917 -5.552 492 H ASP 65 H ASP 65 -7.089 -3.616 -2.534 493 HA ASP 65 HA ASP 65 -6.549 -0.911 -3.103 494 HB2 ASP 65 1HB ASP 65 -8.779 -2.118 -2.434 495 HB3 ASP 65 2HB ASP 65 -8.283 -1.710 -0.793 496 H GLU 66 H GLU 66 -4.803 0.102 -2.343 497 HA GLU 66 HA GLU 66 -3.502 -0.547 0.084 498 HB2 GLU 66 1HB GLU 66 -3.298 1.957 -1.599 499 HB3 GLU 66 2HB GLU 66 -2.184 1.501 -0.318 500 HG2 GLU 66 1HG GLU 66 -1.264 -0.224 -1.547 501 HG3 GLU 66 2HG GLU 66 -2.667 -0.353 -2.607 502 H ASP 67 H ASP 67 -5.778 2.002 -0.820 503 HA ASP 67 HA ASP 67 -5.800 3.006 1.924 504 HB2 ASP 67 1HB ASP 67 -6.852 4.932 1.111 505 HB3 ASP 67 2HB ASP 67 -5.754 4.489 -0.193 506 H GLY 68 H GLY 68 -7.389 0.709 0.102 507 HA2 GLY 68 1HA GLY 68 -9.324 -0.489 0.399 508 HA3 GLY 68 2HA GLY 68 -9.219 0.012 2.081 509 H SER 69 H SER 69 -9.794 1.867 -0.900 510 HA SER 69 HA SER 69 -11.887 3.368 0.361 511 HG SER 69 HG SER 69 -10.469 2.673 -2.997 512 HB2 SER 69 1HB SER 69 -12.102 3.991 -2.288 513 HB3 SER 69 2HB SER 69 -10.982 4.771 -1.171 514 H GLY 70 H GLY 70 -11.778 0.356 -1.082 515 HA2 GLY 70 1HA GLY 70 -13.738 -1.033 -1.054 516 HA3 GLY 70 2HA GLY 70 -14.702 0.388 -1.429 517 H THR 71 H THR 71 -12.109 0.724 -3.341 518 HA THR 71 HA THR 71 -12.978 -1.099 -5.449 519 HB THR 71 HB THR 71 -13.160 0.695 -7.114 520 HG1 THR 71 HG1 THR 71 -11.992 2.373 -6.330 521 HG21 THR 71 3HG2 THR 71 -15.101 -0.109 -5.541 522 HG22 THR 71 1HG2 THR 71 -15.343 1.257 -6.629 523 HG23 THR 71 2HG2 THR 71 -15.003 1.539 -4.921 524 H VAL 72 H VAL 72 -11.532 -0.814 -7.437 525 HA VAL 72 HA VAL 72 -8.767 -0.531 -6.491 526 HB VAL 72 HB VAL 72 -10.071 -2.207 -8.570 527 HG11 VAL 72 1HG1 VAL 72 -7.327 -1.023 -8.829 528 HG12 VAL 72 2HG1 VAL 72 -7.725 -2.590 -9.538 529 HG13 VAL 72 3HG1 VAL 72 -8.602 -1.144 -10.042 530 HG21 VAL 72 3HG2 VAL 72 -7.729 -3.354 -7.492 531 HG22 VAL 72 1HG2 VAL 72 -8.569 -2.552 -6.165 532 HG23 VAL 72 2HG2 VAL 72 -9.406 -3.765 -7.133 533 H ASP 73 H ASP 73 -7.522 1.081 -7.181 534 HA ASP 73 HA ASP 73 -8.553 2.841 -9.279 535 HB2 ASP 73 1HB ASP 73 -7.712 3.587 -6.909 536 HB3 ASP 73 2HB ASP 73 -6.118 3.460 -7.648 537 H PHE 74 H PHE 74 -6.826 3.879 -10.691 538 HA PHE 74 HA PHE 74 -5.679 1.977 -12.346 539 HD1 PHE 74 HD1 PHE 74 -4.516 1.859 -14.063 540 HD2 PHE 74 HD2 PHE 74 -3.423 5.926 -13.443 541 HE1 PHE 74 HE1 PHE 74 -2.746 1.638 -15.758 542 HE2 PHE 74 HE2 PHE 74 -1.652 5.712 -15.138 543 HZ PHE 74 HZ PHE 74 -1.312 3.566 -16.298 544 HB2 PHE 74 1HB PHE 74 -6.098 4.236 -13.119 545 HB3 PHE 74 2HB PHE 74 -4.927 4.882 -11.975 546 H ASP 75 H ASP 75 -4.375 3.557 -9.517 547 HA ASP 75 HA ASP 75 -1.661 2.836 -9.918 548 HB2 ASP 75 1HB ASP 75 -3.286 3.846 -7.632 549 HB3 ASP 75 2HB ASP 75 -1.724 3.117 -7.273 550 H GLU 76 H GLU 76 -4.057 1.505 -7.628 551 HA GLU 76 HA GLU 76 -2.506 -0.735 -6.920 552 HB2 GLU 76 1HB GLU 76 -5.513 -0.439 -6.809 553 HB3 GLU 76 2HB GLU 76 -4.555 -1.618 -5.924 554 HG2 GLU 76 1HG GLU 76 -3.918 -0.133 -4.363 555 HG3 GLU 76 2HG GLU 76 -3.799 1.194 -5.517 556 H TRP 77 H TRP 77 -4.694 -0.134 -9.560 557 HA TRP 77 HA TRP 77 -5.127 -2.837 -10.309 558 HD1 TRP 77 HD1 TRP 77 -8.233 -2.641 -11.607 559 HE1 TRP 77 HE1 TRP 77 -8.639 -4.110 -13.681 560 HE3 TRP 77 HE3 TRP 77 -3.873 -1.727 -14.116 561 HZ2 TRP 77 HZ2 TRP 77 -7.289 -4.793 -16.064 562 HZ3 TRP 77 HZ3 TRP 77 -3.508 -2.828 -16.286 563 HH2 TRP 77 HH2 TRP 77 -5.182 -4.329 -17.238 564 HB2 TRP 77 1HB TRP 77 -6.482 -0.791 -11.015 565 HB3 TRP 77 2HB TRP 77 -5.201 -0.473 -12.181 566 H LEU 78 H LEU 78 -2.617 -0.504 -10.993 567 HA LEU 78 HA LEU 78 -1.446 -1.893 -13.179 568 HG LEU 78 HG LEU 78 -2.009 0.664 -13.419 569 HB2 LEU 78 1HB LEU 78 -0.480 0.242 -11.308 570 HB3 LEU 78 2HB LEU 78 0.590 -0.476 -12.511 571 HD11 LEU 78 1HD1 LEU 78 0.177 2.587 -13.444 572 HD12 LEU 78 2HD1 LEU 78 -0.384 2.192 -11.820 573 HD13 LEU 78 3HD1 LEU 78 -1.521 2.803 -13.021 574 HD21 LEU 78 3HD2 LEU 78 -0.675 -0.446 -15.058 575 HD22 LEU 78 1HD2 LEU 78 0.770 0.433 -14.560 576 HD23 LEU 78 2HD2 LEU 78 -0.552 1.289 -15.354 577 H VAL 79 H VAL 79 -0.584 -1.671 -9.732 578 HA VAL 79 HA VAL 79 1.598 -3.435 -9.826 579 HB VAL 79 HB VAL 79 1.293 -1.993 -7.918 580 HG11 VAL 79 1HG1 VAL 79 -1.096 -1.840 -7.817 581 HG12 VAL 79 2HG1 VAL 79 -1.238 -3.558 -7.440 582 HG13 VAL 79 3HG1 VAL 79 -0.517 -2.453 -6.269 583 HG21 VAL 79 3HG2 VAL 79 2.302 -4.376 -7.730 584 HG22 VAL 79 1HG2 VAL 79 1.964 -3.464 -6.259 585 HG23 VAL 79 2HG2 VAL 79 0.854 -4.728 -6.787 586 H MET 80 H MET 80 -1.830 -3.995 -9.697 587 HA MET 80 HA MET 80 -1.952 -6.566 -8.671 588 HB2 MET 80 1HB MET 80 -3.956 -5.289 -9.137 589 HB3 MET 80 2HB MET 80 -3.608 -5.304 -10.861 590 HG2 MET 80 1HG MET 80 -3.998 -7.658 -10.988 591 HG3 MET 80 2HG MET 80 -4.137 -7.776 -9.235 592 HE1 MET 80 3HE MET 80 -5.561 -4.662 -10.983 593 HE2 MET 80 1HE MET 80 -5.705 -5.806 -12.318 594 HE3 MET 80 2HE MET 80 -7.155 -5.176 -11.536 595 H MET 81 H MET 81 -1.437 -5.550 -12.039 596 HA MET 81 HA MET 81 -1.220 -8.174 -13.080 597 HB2 MET 81 1HB MET 81 -1.549 -5.814 -14.247 598 HB3 MET 81 2HB MET 81 0.202 -5.902 -14.387 599 HG2 MET 81 1HG MET 81 -0.521 -6.802 -16.382 600 HG3 MET 81 2HG MET 81 -0.213 -8.230 -15.397 601 HE1 MET 81 3HE MET 81 -2.837 -5.763 -16.765 602 HE2 MET 81 1HE MET 81 -4.380 -6.518 -16.367 603 HE3 MET 81 2HE MET 81 -3.394 -5.802 -15.092 604 H ALA 82 H ALA 82 1.214 -5.777 -12.105 605 HA ALA 82 HA ALA 82 3.499 -7.215 -12.787 606 HB1 ALA 82 1HB ALA 82 2.867 -4.891 -11.185 607 HB2 ALA 82 2HB ALA 82 4.192 -5.824 -10.489 608 HB3 ALA 82 3HB ALA 82 4.302 -5.241 -12.149 609 H ARG 83 H ARG 83 1.386 -7.486 -10.011 610 HA ARG 83 HA ARG 83 3.073 -9.001 -8.344 611 HE ARG 83 HE ARG 83 -2.036 -11.209 -6.287 612 HB2 ARG 83 1HB ARG 83 1.114 -8.003 -7.405 613 HB3 ARG 83 2HB ARG 83 0.068 -8.834 -8.548 614 HG2 ARG 83 1HG ARG 83 0.678 -10.981 -7.507 615 HG3 ARG 83 2HG ARG 83 1.655 -10.104 -6.327 616 HD2 ARG 83 1HD ARG 83 -0.144 -9.421 -5.156 617 HD3 ARG 83 2HD ARG 83 -1.111 -9.153 -6.606 618 HH11 ARG 83 1HH1 ARG 83 1.016 -11.102 -4.616 619 HH12 ARG 83 2HH1 ARG 83 0.830 -12.670 -3.904 620 HH21 ARG 83 1HH2 ARG 83 -2.293 -13.275 -5.356 621 HH22 ARG 83 2HH2 ARG 83 -1.052 -13.906 -4.326 622 H CYS 84 H CYS 84 1.194 -9.838 -11.133 623 HA CYS 84 HA CYS 84 1.057 -12.640 -10.664 624 HG CYS 84 HG CYS 84 -0.426 -13.747 -13.961 625 HB2 CYS 84 1HB CYS 84 -0.121 -10.946 -12.446 626 HB3 CYS 84 2HB CYS 84 1.074 -11.735 -13.470 627 H MET 85 H MET 85 3.490 -10.519 -11.902 628 HA MET 85 HA MET 85 5.001 -12.561 -13.247 629 HB2 MET 85 1HB MET 85 5.869 -9.799 -12.377 630 HB3 MET 85 2HB MET 85 6.704 -10.838 -13.524 631 HG2 MET 85 1HG MET 85 3.882 -9.980 -14.010 632 HG3 MET 85 2HG MET 85 5.234 -8.923 -14.408 633 HE1 MET 85 3HE MET 85 3.409 -11.706 -17.190 634 HE2 MET 85 1HE MET 85 3.215 -12.166 -15.498 635 HE3 MET 85 2HE MET 85 2.802 -10.532 -16.020 636 H LYS 86 H LYS 86 5.075 -10.981 -10.101 637 HA LYS 86 HA LYS 86 6.377 -11.311 -8.247 638 HB2 LYS 86 1HB LYS 86 5.106 -13.721 -9.027 639 HB3 LYS 86 2HB LYS 86 6.710 -14.150 -8.448 640 HG2 LYS 86 1HG LYS 86 4.603 -12.609 -6.950 641 HG3 LYS 86 2HG LYS 86 5.150 -14.256 -6.628 642 HD2 LYS 86 1HD LYS 86 6.939 -11.832 -6.496 643 HD3 LYS 86 2HD LYS 86 6.107 -12.520 -5.099 644 HE2 LYS 86 1HE LYS 86 7.341 -14.516 -5.215 645 HE3 LYS 86 2HE LYS 86 7.898 -14.175 -6.852 646 HZ1 LYS 86 3HZ LYS 86 9.181 -13.578 -4.461 647 HZ2 LYS 86 1HZ LYS 86 8.714 -12.098 -5.135 648 HZ3 LYS 86 2HZ LYS 86 9.672 -13.169 -6.027 649 H ASP 87 H ASP 87 7.875 -10.771 -10.644 650 HA ASP 87 HA ASP 87 9.961 -10.989 -11.577 651 HB2 ASP 87 1HB ASP 87 11.747 -10.678 -9.975 652 HB3 ASP 87 2HB ASP 87 10.344 -9.750 -9.452 653 H ASP 88 H ASP 88 8.605 -13.441 -11.606 654 HA ASP 88 HA ASP 88 10.617 -15.426 -10.837 655 HB2 ASP 88 1HB ASP 88 8.167 -15.726 -10.252 656 HB3 ASP 88 2HB ASP 88 7.870 -15.958 -11.973 657 H SER 89 H SER 89 12.150 -15.721 -12.319 658 HA SER 89 HA SER 89 13.194 -16.115 -14.301 659 HG SER 89 HG SER 89 11.157 -19.070 -14.474 660 HB2 SER 89 1HB SER 89 10.547 -16.985 -15.442 661 HB3 SER 89 2HB SER 89 12.159 -17.600 -15.808 Start of MODEL 14 1 HA MET 1 HA MET 1 0.655 -3.997 -1.203 2 H1 MET 1 H MET 1 0.645 -5.206 1.463 3 HB2 MET 1 1HB MET 1 0.400 -2.414 0.586 4 HB3 MET 1 2HB MET 1 1.787 -3.077 1.441 5 HG2 MET 1 1HG MET 1 3.243 -2.327 -0.397 6 HG3 MET 1 2HG MET 1 1.841 -1.600 -1.179 7 HE1 MET 1 3HE MET 1 2.082 1.816 -0.114 8 HE2 MET 1 1HE MET 1 3.392 1.026 -0.993 9 HE3 MET 1 2HE MET 1 1.718 0.564 -1.302 10 H ASP 2 H ASP 2 1.850 -5.498 -2.368 11 HA ASP 2 HA ASP 2 4.479 -6.286 -1.434 12 HB2 ASP 2 1HB ASP 2 2.741 -7.011 -3.759 13 HB3 ASP 2 2HB ASP 2 4.471 -7.334 -3.852 14 H ASP 3 H ASP 3 5.664 -4.381 -1.395 15 HA ASP 3 HA ASP 3 5.781 -2.503 -3.487 16 HB2 ASP 3 1HB ASP 3 7.667 -1.569 -2.354 17 HB3 ASP 3 2HB ASP 3 6.564 -2.158 -1.113 18 H ILE 4 H ILE 4 7.255 -5.594 -3.077 19 HA ILE 4 HA ILE 4 9.517 -5.344 -4.697 20 HB ILE 4 HB ILE 4 9.252 -7.319 -3.375 21 HG12 ILE 4 1HG1 ILE 4 8.856 -8.595 -6.013 22 HG13 ILE 4 2HG1 ILE 4 10.101 -7.352 -5.953 23 HG21 ILE 4 1HG2 ILE 4 7.284 -8.822 -4.740 24 HG22 ILE 4 2HG2 ILE 4 7.260 -8.244 -3.075 25 HG23 ILE 4 3HG2 ILE 4 6.583 -7.249 -4.363 26 HD11 ILE 4 3HD1 ILE 4 9.989 -9.995 -4.603 27 HD12 ILE 4 1HD1 ILE 4 11.319 -9.216 -5.459 28 HD13 ILE 4 2HD1 ILE 4 10.880 -8.681 -3.836 29 H TYR 5 H TYR 5 6.143 -5.710 -5.516 30 HA TYR 5 HA TYR 5 6.648 -6.315 -8.288 31 HD1 TYR 5 HD2 TYR 5 6.097 -8.250 -8.504 32 HD2 TYR 5 HD1 TYR 5 2.929 -7.342 -5.813 33 HE1 TYR 5 HE2 TYR 5 5.908 -10.634 -7.931 34 HE2 TYR 5 HE1 TYR 5 2.732 -9.724 -5.232 35 HH TYR 5 HH TYR 5 4.872 -11.883 -5.575 36 HB2 TYR 5 1HB TYR 5 4.115 -5.597 -6.803 37 HB3 TYR 5 2HB TYR 5 4.169 -6.013 -8.513 38 H LYS 6 H LYS 6 6.049 -3.484 -6.348 39 HA LYS 6 HA LYS 6 5.272 -1.687 -8.353 40 HB2 LYS 6 1HB LYS 6 6.583 -1.385 -5.675 41 HB3 LYS 6 2HB LYS 6 6.418 0.015 -6.727 42 HG2 LYS 6 1HG LYS 6 4.586 -0.082 -5.155 43 HG3 LYS 6 2HG LYS 6 3.994 -0.332 -6.799 44 HD2 LYS 6 1HD LYS 6 3.508 -2.547 -6.432 45 HD3 LYS 6 2HD LYS 6 4.719 -2.712 -5.159 46 HE2 LYS 6 1HE LYS 6 3.325 -1.911 -3.541 47 HE3 LYS 6 2HE LYS 6 2.439 -0.878 -4.662 48 HZ1 LYS 6 3HZ LYS 6 1.211 -2.711 -5.454 49 HZ2 LYS 6 1HZ LYS 6 1.190 -2.840 -3.767 50 HZ3 LYS 6 2HZ LYS 6 2.212 -3.833 -4.679 51 H ALA 7 H ALA 7 8.491 -2.541 -7.130 52 HA ALA 7 HA ALA 7 9.916 -0.727 -8.772 53 HB1 ALA 7 1HB ALA 7 10.583 -2.978 -6.995 54 HB2 ALA 7 2HB ALA 7 11.753 -2.635 -8.270 55 HB3 ALA 7 3HB ALA 7 11.306 -1.374 -7.120 56 H ALA 8 H ALA 8 8.303 -3.621 -9.474 57 HA ALA 8 HA ALA 8 9.978 -4.445 -11.669 58 HB1 ALA 8 1HB ALA 8 8.099 -5.710 -10.129 59 HB2 ALA 8 2HB ALA 8 7.248 -5.476 -11.656 60 HB3 ALA 8 3HB ALA 8 8.787 -6.336 -11.628 61 H VAL 9 H VAL 9 6.753 -2.970 -11.356 62 HA VAL 9 HA VAL 9 6.272 -2.681 -14.114 63 HB VAL 9 HB VAL 9 4.647 -0.872 -13.379 64 HG11 VAL 9 1HG1 VAL 9 3.898 -3.119 -11.691 65 HG12 VAL 9 2HG1 VAL 9 3.142 -2.507 -13.164 66 HG13 VAL 9 3HG1 VAL 9 4.504 -3.624 -13.268 67 HG21 VAL 9 3HG2 VAL 9 5.956 -0.288 -11.321 68 HG22 VAL 9 1HG2 VAL 9 4.232 -0.552 -11.053 69 HG23 VAL 9 2HG2 VAL 9 5.395 -1.803 -10.612 70 H GLU 10 H GLU 10 7.984 -0.689 -11.797 71 HA GLU 10 HA GLU 10 8.133 1.661 -13.364 72 HB2 GLU 10 1HB GLU 10 9.779 0.604 -11.076 73 HB3 GLU 10 2HB GLU 10 10.166 2.126 -11.866 74 HG2 GLU 10 1HG GLU 10 7.798 2.843 -11.359 75 HG3 GLU 10 2HG GLU 10 7.687 1.417 -10.329 76 H GLN 11 H GLN 11 9.800 -1.345 -13.490 77 HA GLN 11 HA GLN 11 12.007 -0.275 -15.054 78 HB2 GLN 11 1HB GLN 11 11.364 -3.131 -14.298 79 HB3 GLN 11 2HB GLN 11 12.852 -2.576 -15.054 80 HG2 GLN 11 1HG GLN 11 12.313 -1.098 -12.642 81 HG3 GLN 11 2HG GLN 11 12.332 -2.834 -12.334 82 HE21 GLN 11 2HE2 GLN 11 14.199 -0.262 -12.144 83 HE22 GLN 11 1HE2 GLN 11 15.746 -0.938 -12.512 84 H LEU 12 H LEU 12 8.880 -1.360 -15.604 85 HA LEU 12 HA LEU 12 9.204 -2.730 -18.062 86 HG LEU 12 HG LEU 12 7.387 -3.294 -15.647 87 HB2 LEU 12 1HB LEU 12 6.864 -1.248 -16.883 88 HB3 LEU 12 2HB LEU 12 6.780 -2.170 -18.382 89 HD11 LEU 12 1HD1 LEU 12 5.216 -4.208 -15.660 90 HD12 LEU 12 2HD1 LEU 12 4.957 -3.775 -17.349 91 HD13 LEU 12 3HD1 LEU 12 5.024 -2.515 -16.117 92 HD21 LEU 12 3HD2 LEU 12 7.036 -5.477 -16.882 93 HD22 LEU 12 1HD2 LEU 12 8.542 -4.623 -17.217 94 HD23 LEU 12 2HD2 LEU 12 7.212 -4.552 -18.374 95 H THR 13 H THR 13 8.122 -1.833 -20.115 96 HA THR 13 HA THR 13 9.414 0.718 -20.709 97 HB THR 13 HB THR 13 9.860 -1.192 -22.208 98 HG1 THR 13 HG1 THR 13 10.007 0.242 -23.754 99 HG21 THR 13 3HG2 THR 13 7.627 -2.256 -21.988 100 HG22 THR 13 1HG2 THR 13 8.142 -2.067 -23.664 101 HG23 THR 13 2HG2 THR 13 6.949 -0.964 -22.978 102 H GLU 14 H GLU 14 8.231 2.172 -22.282 103 HA GLU 14 HA GLU 14 5.893 3.147 -21.117 104 HB2 GLU 14 1HB GLU 14 6.937 3.573 -23.922 105 HB3 GLU 14 2HB GLU 14 5.674 4.533 -23.163 106 HG2 GLU 14 1HG GLU 14 8.397 4.273 -21.941 107 HG3 GLU 14 2HG GLU 14 8.046 5.471 -23.185 108 H GLU 15 H GLU 15 6.371 0.780 -23.635 109 HA GLU 15 HA GLU 15 3.791 0.759 -24.738 110 HB2 GLU 15 1HB GLU 15 5.698 -1.569 -24.445 111 HB3 GLU 15 2HB GLU 15 4.344 -1.472 -25.562 112 HG2 GLU 15 1HG GLU 15 5.424 0.388 -26.715 113 HG3 GLU 15 2HG GLU 15 6.781 0.294 -25.594 114 H GLN 16 H GLN 16 5.190 -1.233 -22.141 115 HA GLN 16 HA GLN 16 2.866 -2.704 -21.579 116 HB2 GLN 16 1HB GLN 16 5.097 -1.965 -19.678 117 HB3 GLN 16 2HB GLN 16 3.944 -3.276 -19.464 118 HG2 GLN 16 1HG GLN 16 5.745 -3.163 -21.853 119 HG3 GLN 16 2HG GLN 16 6.288 -3.841 -20.319 120 HE21 GLN 16 2HE2 GLN 16 4.840 -5.531 -19.386 121 HE22 GLN 16 1HE2 GLN 16 4.132 -6.663 -20.483 122 H LYS 17 H LYS 17 4.149 0.259 -20.098 123 HA LYS 17 HA LYS 17 2.101 0.574 -18.191 124 HB2 LYS 17 1HB LYS 17 3.832 2.687 -19.491 125 HB3 LYS 17 2HB LYS 17 2.883 2.904 -18.026 126 HG2 LYS 17 1HG LYS 17 5.125 0.918 -18.328 127 HG3 LYS 17 2HG LYS 17 5.287 2.519 -17.604 128 HD2 LYS 17 1HD LYS 17 3.070 1.155 -16.413 129 HD3 LYS 17 2HD LYS 17 4.497 0.117 -16.355 130 HE2 LYS 17 1HE LYS 17 5.623 1.515 -14.959 131 HE3 LYS 17 2HE LYS 17 4.867 2.963 -15.622 132 HZ1 LYS 17 3HZ LYS 17 3.338 1.036 -13.984 133 HZ2 LYS 17 1HZ LYS 17 2.971 2.652 -14.330 134 HZ3 LYS 17 2HZ LYS 17 4.238 2.280 -13.272 135 H ASN 18 H ASN 18 2.371 1.527 -21.554 136 HA ASN 18 HA ASN 18 0.165 3.299 -21.605 137 HB2 ASN 18 1HB ASN 18 1.910 1.980 -23.581 138 HB3 ASN 18 2HB ASN 18 0.290 2.353 -24.162 139 HD21 ASN 18 2HD2 ASN 18 3.058 3.470 -24.662 140 HD22 ASN 18 1HD2 ASN 18 2.858 5.177 -24.484 141 H GLU 19 H GLU 19 0.487 -0.171 -22.166 142 HA GLU 19 HA GLU 19 -2.178 -0.586 -23.045 143 HB2 GLU 19 1HB GLU 19 -0.143 -2.473 -21.854 144 HB3 GLU 19 2HB GLU 19 -1.701 -2.992 -22.480 145 HG2 GLU 19 1HG GLU 19 -1.134 -2.395 -24.682 146 HG3 GLU 19 2HG GLU 19 0.270 -1.470 -24.152 147 H PHE 20 H PHE 20 -0.612 -0.713 -19.886 148 HA PHE 20 HA PHE 20 -2.805 -1.772 -18.459 149 HD1 PHE 20 HD2 PHE 20 -1.905 -3.464 -17.886 150 HD2 PHE 20 HD1 PHE 20 1.523 -1.088 -17.039 151 HE1 PHE 20 HE2 PHE 20 -0.495 -5.478 -17.960 152 HE2 PHE 20 HE1 PHE 20 2.939 -3.099 -17.112 153 HZ PHE 20 HZ PHE 20 1.930 -5.298 -17.572 154 HB2 PHE 20 1HB PHE 20 -0.504 -0.051 -17.515 155 HB3 PHE 20 2HB PHE 20 -1.634 -0.880 -16.449 156 H LYS 21 H LYS 21 -1.948 1.461 -19.457 157 HA LYS 21 HA LYS 21 -3.924 2.738 -17.790 158 HB2 LYS 21 1HB LYS 21 -1.689 3.721 -18.687 159 HB3 LYS 21 2HB LYS 21 -2.605 4.035 -20.155 160 HG2 LYS 21 1HG LYS 21 -3.970 5.592 -19.128 161 HG3 LYS 21 2HG LYS 21 -3.644 4.963 -17.512 162 HD2 LYS 21 1HD LYS 21 -2.472 7.010 -17.661 163 HD3 LYS 21 2HD LYS 21 -1.256 5.743 -17.837 164 HE2 LYS 21 1HE LYS 21 -1.133 6.070 -20.184 165 HE3 LYS 21 2HE LYS 21 -2.570 7.091 -20.185 166 HZ1 LYS 21 3HZ LYS 21 -1.405 8.821 -19.122 167 HZ2 LYS 21 1HZ LYS 21 -0.380 8.276 -20.354 168 HZ3 LYS 21 2HZ LYS 21 -0.086 7.828 -18.750 169 H ALA 22 H ALA 22 -3.660 1.653 -21.115 170 HA ALA 22 HA ALA 22 -6.050 2.926 -22.023 171 HB1 ALA 22 1HB ALA 22 -5.793 1.262 -23.944 172 HB2 ALA 22 2HB ALA 22 -4.494 2.431 -23.703 173 HB3 ALA 22 3HB ALA 22 -4.297 0.767 -23.153 174 H ALA 23 H ALA 23 -5.283 -0.509 -21.417 175 HA ALA 23 HA ALA 23 -7.877 -1.489 -21.688 176 HB1 ALA 23 1HB ALA 23 -6.873 -3.260 -19.957 177 HB2 ALA 23 2HB ALA 23 -6.415 -3.219 -21.660 178 HB3 ALA 23 3HB ALA 23 -5.376 -2.467 -20.449 179 H PHE 24 H PHE 24 -6.395 0.238 -19.084 180 HA PHE 24 HA PHE 24 -8.267 -0.565 -17.067 181 HD1 PHE 24 HD2 PHE 24 -7.332 -0.327 -14.317 182 HD2 PHE 24 HD1 PHE 24 -7.471 3.498 -16.179 183 HE1 PHE 24 HE2 PHE 24 -8.238 0.644 -12.246 184 HE2 PHE 24 HE1 PHE 24 -8.377 4.476 -14.110 185 HZ PHE 24 HZ PHE 24 -8.763 3.048 -12.141 186 HB2 PHE 24 1HB PHE 24 -6.075 0.163 -16.374 187 HB3 PHE 24 2HB PHE 24 -6.279 1.708 -17.193 188 H ASP 25 H ASP 25 -8.082 1.961 -19.457 189 HA ASP 25 HA ASP 25 -10.017 3.704 -18.355 190 HB2 ASP 25 1HB ASP 25 -8.335 4.159 -20.248 191 HB3 ASP 25 2HB ASP 25 -9.511 3.386 -21.307 192 H ILE 26 H ILE 26 -10.237 0.972 -20.585 193 HA ILE 26 HA ILE 26 -12.975 1.274 -21.212 194 HB ILE 26 HB ILE 26 -11.294 -1.236 -21.229 195 HG12 ILE 26 1HG1 ILE 26 -11.690 -0.460 -23.836 196 HG13 ILE 26 2HG1 ILE 26 -11.499 1.085 -23.015 197 HG21 ILE 26 1HG2 ILE 26 -13.654 -1.773 -21.215 198 HG22 ILE 26 2HG2 ILE 26 -13.945 -0.637 -22.532 199 HG23 ILE 26 3HG2 ILE 26 -12.978 -2.084 -22.814 200 HD11 ILE 26 3HD1 ILE 26 -9.437 -0.271 -21.953 201 HD12 ILE 26 1HD1 ILE 26 -9.538 -1.039 -23.538 202 HD13 ILE 26 2HD1 ILE 26 -9.325 0.708 -23.416 203 H PHE 27 H PHE 27 -11.279 -0.444 -18.647 204 HA PHE 27 HA PHE 27 -13.466 -1.900 -17.645 205 HD1 PHE 27 HD2 PHE 27 -10.851 -2.706 -18.809 206 HD2 PHE 27 HD1 PHE 27 -11.792 -3.797 -14.804 207 HE1 PHE 27 HE2 PHE 27 -10.295 -5.047 -19.320 208 HE2 PHE 27 HE1 PHE 27 -11.236 -6.140 -15.308 209 HZ PHE 27 HZ PHE 27 -10.488 -6.769 -17.569 210 HB2 PHE 27 1HB PHE 27 -10.805 -1.074 -16.601 211 HB3 PHE 27 2HB PHE 27 -12.003 -1.610 -15.428 212 H VAL 28 H VAL 28 -12.082 1.196 -16.553 213 HA VAL 28 HA VAL 28 -14.332 1.664 -14.792 214 HB VAL 28 HB VAL 28 -13.203 3.690 -14.126 215 HG11 VAL 28 1HG1 VAL 28 -11.995 1.092 -14.036 216 HG12 VAL 28 2HG1 VAL 28 -10.745 2.336 -14.052 217 HG13 VAL 28 3HG1 VAL 28 -12.001 2.363 -12.814 218 HG21 VAL 28 3HG2 VAL 28 -11.801 3.309 -16.684 219 HG22 VAL 28 1HG2 VAL 28 -12.212 4.792 -15.822 220 HG23 VAL 28 2HG2 VAL 28 -10.792 3.859 -15.347 221 H LEU 29 H LEU 29 -14.077 1.838 -17.995 222 HA LEU 29 HA LEU 29 -14.948 4.430 -18.671 223 HG LEU 29 HG LEU 29 -16.819 1.600 -19.930 224 HB2 LEU 29 1HB LEU 29 -14.828 3.659 -20.753 225 HB3 LEU 29 2HB LEU 29 -14.244 2.155 -20.043 226 HD11 LEU 29 1HD1 LEU 29 -16.977 3.065 -22.479 227 HD12 LEU 29 2HD1 LEU 29 -17.057 4.051 -21.019 228 HD13 LEU 29 3HD1 LEU 29 -18.219 2.748 -21.267 229 HD21 LEU 29 3HD2 LEU 29 -15.749 0.066 -21.181 230 HD22 LEU 29 1HD2 LEU 29 -14.772 1.273 -22.018 231 HD23 LEU 29 2HD2 LEU 29 -16.433 0.972 -22.532 232 H GLY 30 H GLY 30 -16.587 1.729 -17.295 233 HA2 GLY 30 1HA GLY 30 -19.225 2.764 -18.001 234 HA3 GLY 30 2HA GLY 30 -18.890 1.260 -17.155 235 H ALA 31 H ALA 31 -17.017 2.766 -15.331 236 HA ALA 31 HA ALA 31 -18.946 3.342 -13.304 237 HB1 ALA 31 1HB ALA 31 -16.894 2.348 -12.624 238 HB2 ALA 31 2HB ALA 31 -15.950 3.631 -13.384 239 HB3 ALA 31 3HB ALA 31 -16.929 3.982 -11.959 240 H GLU 32 H GLU 32 -18.695 5.411 -11.970 241 HA GLU 32 HA GLU 32 -18.731 7.690 -13.828 242 HB2 GLU 32 1HB GLU 32 -20.850 7.197 -12.641 243 HB3 GLU 32 2HB GLU 32 -20.026 7.438 -11.107 244 HG2 GLU 32 1HG GLU 32 -19.585 9.760 -11.697 245 HG3 GLU 32 2HG GLU 32 -20.392 9.524 -13.246 246 H ASP 33 H ASP 33 -17.145 6.352 -11.096 247 HA ASP 33 HA ASP 33 -15.769 8.899 -10.569 248 HB2 ASP 33 1HB ASP 33 -14.946 7.525 -8.499 249 HB3 ASP 33 2HB ASP 33 -16.572 8.202 -8.508 250 H GLY 34 H GLY 34 -15.280 6.874 -12.757 251 HA2 GLY 34 1HA GLY 34 -13.495 5.873 -13.803 252 HA3 GLY 34 2HA GLY 34 -12.537 7.097 -12.984 253 H CYS 35 H CYS 35 -14.389 4.434 -11.562 254 HA CYS 35 HA CYS 35 -11.893 3.103 -10.818 255 HG CYS 35 HG CYS 35 -10.906 4.516 -7.946 256 HB2 CYS 35 1HB CYS 35 -14.033 3.978 -8.872 257 HB3 CYS 35 2HB CYS 35 -12.771 2.817 -8.479 258 H ILE 36 H ILE 36 -12.495 0.980 -9.580 259 HA ILE 36 HA ILE 36 -14.836 -0.236 -10.891 260 HB ILE 36 HB ILE 36 -12.134 -1.526 -10.490 261 HG12 ILE 36 1HG1 ILE 36 -13.303 -1.354 -13.184 262 HG13 ILE 36 2HG1 ILE 36 -12.880 0.202 -12.479 263 HG21 ILE 36 1HG2 ILE 36 -14.755 -2.598 -11.493 264 HG22 ILE 36 2HG2 ILE 36 -13.214 -3.362 -11.876 265 HG23 ILE 36 3HG2 ILE 36 -13.736 -3.224 -10.198 266 HD11 ILE 36 3HD1 ILE 36 -10.600 -0.568 -12.129 267 HD12 ILE 36 1HD1 ILE 36 -11.021 -2.141 -12.808 268 HD13 ILE 36 2HD1 ILE 36 -11.067 -0.700 -13.825 269 H SER 37 H SER 37 -16.239 -1.037 -9.488 270 HA SER 37 HA SER 37 -15.445 -1.442 -6.719 271 HG SER 37 HG SER 37 -18.745 -0.477 -8.526 272 HB2 SER 37 1HB SER 37 -17.976 -1.923 -6.489 273 HB3 SER 37 2HB SER 37 -17.479 -0.274 -6.868 274 H THR 38 H THR 38 -15.534 -3.370 -5.621 275 HA THR 38 HA THR 38 -14.848 -5.708 -6.908 276 HB THR 38 HB THR 38 -14.413 -5.626 -4.596 277 HG1 THR 38 HG1 THR 38 -16.625 -7.359 -4.503 278 HG21 THR 38 3HG2 THR 38 -15.742 -4.342 -3.337 279 HG22 THR 38 1HG2 THR 38 -16.815 -5.735 -3.214 280 HG23 THR 38 2HG2 THR 38 -17.092 -4.515 -4.457 281 H LYS 39 H LYS 39 -18.018 -4.396 -6.302 282 HA LYS 39 HA LYS 39 -19.527 -6.747 -6.708 283 HB2 LYS 39 1HB LYS 39 -20.489 -4.761 -5.668 284 HB3 LYS 39 2HB LYS 39 -20.275 -3.852 -7.159 285 HG2 LYS 39 1HG LYS 39 -21.799 -5.576 -8.242 286 HG3 LYS 39 2HG LYS 39 -22.188 -6.093 -6.600 287 HD2 LYS 39 1HD LYS 39 -22.497 -3.276 -7.636 288 HD3 LYS 39 2HD LYS 39 -23.805 -4.456 -7.524 289 HE2 LYS 39 1HE LYS 39 -22.139 -3.585 -5.171 290 HE3 LYS 39 2HE LYS 39 -23.660 -2.817 -5.622 291 HZ1 LYS 39 3HZ LYS 39 -24.803 -4.444 -4.668 292 HZ2 LYS 39 1HZ LYS 39 -23.352 -5.013 -4.010 293 HZ3 LYS 39 2HZ LYS 39 -23.924 -5.648 -5.469 294 H GLU 40 H GLU 40 -18.775 -4.064 -8.934 295 HA GLU 40 HA GLU 40 -19.897 -5.394 -11.196 296 HB2 GLU 40 1HB GLU 40 -17.935 -3.097 -11.204 297 HB3 GLU 40 2HB GLU 40 -19.043 -3.553 -12.491 298 HG2 GLU 40 1HG GLU 40 -19.884 -2.575 -9.773 299 HG3 GLU 40 2HG GLU 40 -19.773 -1.572 -11.218 300 H LEU 41 H LEU 41 -16.723 -5.217 -9.754 301 HA LEU 41 HA LEU 41 -15.167 -6.105 -11.900 302 HG LEU 41 HG LEU 41 -13.316 -8.092 -9.826 303 HB2 LEU 41 1HB LEU 41 -14.158 -5.210 -9.911 304 HB3 LEU 41 2HB LEU 41 -14.829 -6.514 -8.935 305 HD11 LEU 41 1HD1 LEU 41 -11.623 -6.900 -11.600 306 HD12 LEU 41 2HD1 LEU 41 -13.178 -6.201 -12.051 307 HD13 LEU 41 3HD1 LEU 41 -12.972 -7.952 -12.031 308 HD21 LEU 41 3HD2 LEU 41 -11.079 -6.930 -9.508 309 HD22 LEU 41 1HD2 LEU 41 -12.224 -6.827 -8.171 310 HD23 LEU 41 2HD2 LEU 41 -12.004 -5.450 -9.251 311 H GLY 42 H GLY 42 -17.328 -7.813 -9.784 312 HA2 GLY 42 1HA GLY 42 -16.303 -10.432 -10.351 313 HA3 GLY 42 2HA GLY 42 -17.829 -10.057 -9.565 314 H LYS 43 H LYS 43 -18.665 -8.327 -11.820 315 HA LYS 43 HA LYS 43 -20.010 -10.316 -13.338 316 HB2 LYS 43 1HB LYS 43 -20.040 -7.414 -13.100 317 HB3 LYS 43 2HB LYS 43 -20.245 -7.942 -14.765 318 HG2 LYS 43 1HG LYS 43 -22.008 -9.565 -13.717 319 HG3 LYS 43 2HG LYS 43 -22.003 -8.386 -12.404 320 HD2 LYS 43 1HD LYS 43 -23.298 -7.022 -13.589 321 HD3 LYS 43 2HD LYS 43 -22.118 -7.002 -14.901 322 HE2 LYS 43 1HE LYS 43 -23.141 -9.285 -15.542 323 HE3 LYS 43 2HE LYS 43 -24.489 -8.795 -14.517 324 HZ1 LYS 43 3HZ LYS 43 -24.215 -8.178 -17.133 325 HZ2 LYS 43 1HZ LYS 43 -23.663 -6.767 -16.380 326 HZ3 LYS 43 2HZ LYS 43 -25.211 -7.357 -16.041 327 H VAL 44 H VAL 44 -17.309 -8.133 -14.035 328 HA VAL 44 HA VAL 44 -17.000 -8.791 -16.750 329 HB VAL 44 HB VAL 44 -14.891 -7.886 -14.784 330 HG11 VAL 44 1HG1 VAL 44 -13.667 -7.123 -16.770 331 HG12 VAL 44 2HG1 VAL 44 -13.895 -8.873 -16.772 332 HG13 VAL 44 3HG1 VAL 44 -14.899 -7.850 -17.801 333 HG21 VAL 44 3HG2 VAL 44 -16.689 -6.337 -16.647 334 HG22 VAL 44 1HG2 VAL 44 -16.702 -6.302 -14.883 335 HG23 VAL 44 2HG2 VAL 44 -15.324 -5.648 -15.768 336 H MET 45 H MET 45 -15.952 -10.382 -13.825 337 HA MET 45 HA MET 45 -13.913 -12.000 -14.732 338 HB2 MET 45 1HB MET 45 -16.108 -12.658 -12.762 339 HB3 MET 45 2HB MET 45 -14.654 -13.623 -12.983 340 HG2 MET 45 1HG MET 45 -14.170 -10.777 -12.480 341 HG3 MET 45 2HG MET 45 -14.945 -11.645 -11.156 342 HE1 MET 45 3HE MET 45 -11.061 -13.259 -13.034 343 HE2 MET 45 1HE MET 45 -12.678 -13.755 -13.536 344 HE3 MET 45 2HE MET 45 -12.130 -12.105 -13.834 345 H ARG 46 H ARG 46 -17.345 -12.251 -15.319 346 HA ARG 46 HA ARG 46 -17.464 -14.908 -16.208 347 HE ARG 46 HE ARG 46 -21.358 -15.491 -13.479 348 HB2 ARG 46 1HB ARG 46 -19.120 -12.519 -17.042 349 HB3 ARG 46 2HB ARG 46 -19.517 -14.192 -17.412 350 HG2 ARG 46 1HG ARG 46 -19.228 -13.102 -14.622 351 HG3 ARG 46 2HG ARG 46 -20.761 -13.245 -15.484 352 HD2 ARG 46 1HD ARG 46 -19.647 -15.747 -15.763 353 HD3 ARG 46 2HD ARG 46 -19.175 -15.280 -14.129 354 HH11 ARG 46 1HH1 ARG 46 -21.216 -15.342 -16.954 355 HH12 ARG 46 2HH1 ARG 46 -22.894 -15.716 -17.169 356 HH21 ARG 46 1HH2 ARG 46 -23.568 -15.985 -13.748 357 HH22 ARG 46 2HH2 ARG 46 -24.231 -16.081 -15.345 358 H MET 47 H MET 47 -16.696 -11.907 -17.907 359 HA MET 47 HA MET 47 -16.604 -13.016 -20.505 360 HB2 MET 47 1HB MET 47 -15.125 -10.603 -19.442 361 HB3 MET 47 2HB MET 47 -15.422 -10.975 -21.135 362 HG2 MET 47 1HG MET 47 -17.727 -10.701 -19.268 363 HG3 MET 47 2HG MET 47 -16.916 -9.258 -19.872 364 HE1 MET 47 3HE MET 47 -18.975 -8.540 -22.764 365 HE2 MET 47 1HE MET 47 -19.575 -8.634 -21.108 366 HE3 MET 47 2HE MET 47 -17.944 -8.042 -21.422 367 H LEU 48 H LEU 48 -14.314 -12.891 -17.884 368 HA LEU 48 HA LEU 48 -11.998 -13.509 -19.418 369 HG LEU 48 HG LEU 48 -10.797 -12.042 -16.244 370 HB2 LEU 48 1HB LEU 48 -12.676 -13.611 -16.503 371 HB3 LEU 48 2HB LEU 48 -11.151 -14.266 -17.095 372 HD11 LEU 48 1HD1 LEU 48 -10.770 -11.803 -19.238 373 HD12 LEU 48 2HD1 LEU 48 -9.648 -12.843 -18.360 374 HD13 LEU 48 3HD1 LEU 48 -9.650 -11.104 -18.068 375 HD21 LEU 48 3HD2 LEU 48 -11.930 -10.105 -17.096 376 HD22 LEU 48 1HD2 LEU 48 -13.137 -11.265 -16.542 377 HD23 LEU 48 2HD2 LEU 48 -12.816 -11.083 -18.267 378 H GLY 49 H GLY 49 -14.589 -15.379 -18.091 379 HA2 GLY 49 1HA GLY 49 -14.940 -17.576 -19.116 380 HA3 GLY 49 2HA GLY 49 -13.206 -17.832 -18.986 381 H GLN 50 H GLN 50 -14.350 -16.252 -16.265 382 HA GLN 50 HA GLN 50 -14.833 -18.771 -14.831 383 HB2 GLN 50 1HB GLN 50 -12.942 -16.559 -14.031 384 HB3 GLN 50 2HB GLN 50 -13.498 -17.802 -12.918 385 HG2 GLN 50 1HG GLN 50 -11.399 -18.519 -13.666 386 HG3 GLN 50 2HG GLN 50 -12.572 -19.492 -14.553 387 HE21 GLN 50 2HE2 GLN 50 -11.135 -16.267 -14.948 388 HE22 GLN 50 1HE2 GLN 50 -10.663 -16.494 -16.595 389 H ASN 51 H ASN 51 -16.023 -18.550 -12.851 390 HA ASN 51 HA ASN 51 -17.383 -15.983 -12.468 391 HB2 ASN 51 1HB ASN 51 -18.869 -17.282 -13.898 392 HB3 ASN 51 2HB ASN 51 -18.785 -18.645 -12.786 393 HD21 ASN 51 2HD2 ASN 51 -19.153 -15.188 -12.147 394 HD22 ASN 51 1HD2 ASN 51 -20.672 -15.322 -11.333 395 HA PRO 52 HA PRO 52 -15.968 -18.040 -8.520 396 HB2 PRO 52 1HB PRO 52 -14.611 -15.884 -7.583 397 HB3 PRO 52 2HB PRO 52 -13.877 -17.097 -8.639 398 HG2 PRO 52 1HG PRO 52 -14.986 -14.405 -9.332 399 HG3 PRO 52 2HG PRO 52 -13.495 -15.179 -9.897 400 HD2 PRO 52 1HD PRO 52 -15.757 -15.116 -11.384 401 HD3 PRO 52 2HD PRO 52 -14.604 -16.464 -11.457 402 H THR 53 H THR 53 -16.417 -17.308 -6.290 403 HA THR 53 HA THR 53 -19.015 -16.377 -5.973 404 HB THR 53 HB THR 53 -17.947 -15.777 -3.547 405 HG1 THR 53 HG1 THR 53 -16.281 -17.355 -3.209 406 HG21 THR 53 3HG2 THR 53 -19.746 -17.347 -3.879 407 HG22 THR 53 1HG2 THR 53 -18.482 -18.131 -2.932 408 HG23 THR 53 2HG2 THR 53 -18.654 -18.498 -4.649 409 HA PRO 54 HA PRO 54 -18.891 -11.991 -6.074 410 HB2 PRO 54 1HB PRO 54 -20.584 -11.314 -4.062 411 HB3 PRO 54 2HB PRO 54 -21.137 -12.012 -5.589 412 HG2 PRO 54 1HG PRO 54 -20.689 -13.349 -2.949 413 HG3 PRO 54 2HG PRO 54 -22.027 -13.554 -4.094 414 HD2 PRO 54 1HD PRO 54 -19.973 -15.309 -3.925 415 HD3 PRO 54 2HD PRO 54 -20.816 -14.970 -5.450 416 H GLU 55 H GLU 55 -18.709 -13.222 -2.731 417 HA GLU 55 HA GLU 55 -17.445 -10.944 -1.655 418 HB2 GLU 55 1HB GLU 55 -17.615 -13.809 -0.740 419 HB3 GLU 55 2HB GLU 55 -16.749 -12.587 0.181 420 HG2 GLU 55 1HG GLU 55 -19.014 -11.278 -0.043 421 HG3 GLU 55 2HG GLU 55 -19.667 -12.897 -0.288 422 H GLU 56 H GLU 56 -16.236 -13.728 -3.354 423 HA GLU 56 HA GLU 56 -13.555 -13.677 -2.577 424 HB2 GLU 56 1HB GLU 56 -14.889 -15.339 -4.103 425 HB3 GLU 56 2HB GLU 56 -14.322 -14.301 -5.404 426 HG2 GLU 56 1HG GLU 56 -12.612 -15.765 -5.407 427 HG3 GLU 56 2HG GLU 56 -12.003 -14.691 -4.150 428 H LEU 57 H LEU 57 -15.298 -11.764 -4.955 429 HA LEU 57 HA LEU 57 -13.216 -10.628 -6.367 430 HG LEU 57 HG LEU 57 -16.344 -9.528 -7.981 431 HB2 LEU 57 1HB LEU 57 -15.923 -9.654 -5.568 432 HB3 LEU 57 2HB LEU 57 -14.812 -8.559 -6.387 433 HD11 LEU 57 1HD1 LEU 57 -14.172 -11.109 -8.928 434 HD12 LEU 57 2HD1 LEU 57 -13.530 -9.668 -8.141 435 HD13 LEU 57 3HD1 LEU 57 -14.693 -9.509 -9.456 436 HD21 LEU 57 3HD2 LEU 57 -16.917 -11.562 -6.774 437 HD22 LEU 57 1HD2 LEU 57 -15.294 -12.196 -7.046 438 HD23 LEU 57 2HD2 LEU 57 -16.380 -11.939 -8.412 439 H GLN 58 H GLN 58 -14.758 -9.301 -3.436 440 HA GLN 58 HA GLN 58 -12.961 -7.164 -3.115 441 HB2 GLN 58 1HB GLN 58 -15.037 -7.041 -1.972 442 HB3 GLN 58 2HB GLN 58 -14.783 -8.595 -1.190 443 HG2 GLN 58 1HG GLN 58 -14.486 -6.813 0.400 444 HG3 GLN 58 2HG GLN 58 -12.948 -7.625 0.115 445 HE21 GLN 58 2HE2 GLN 58 -11.314 -6.279 0.026 446 HE22 GLN 58 1HE2 GLN 58 -11.341 -4.674 -0.610 447 H GLU 59 H GLU 59 -12.725 -10.522 -2.329 448 HA GLU 59 HA GLU 59 -10.813 -10.445 -0.286 449 HB2 GLU 59 1HB GLU 59 -12.164 -12.436 -1.351 450 HB3 GLU 59 2HB GLU 59 -10.735 -12.596 -2.362 451 HG2 GLU 59 1HG GLU 59 -10.434 -12.444 0.599 452 HG3 GLU 59 2HG GLU 59 -10.945 -13.953 -0.154 453 H MET 60 H MET 60 -10.333 -10.825 -3.799 454 HA MET 60 HA MET 60 -7.502 -10.696 -3.651 455 HB2 MET 60 1HB MET 60 -8.781 -11.726 -5.528 456 HB3 MET 60 2HB MET 60 -9.271 -10.114 -6.032 457 HG2 MET 60 1HG MET 60 -6.389 -10.404 -5.708 458 HG3 MET 60 2HG MET 60 -7.077 -11.474 -6.927 459 HE1 MET 60 3HE MET 60 -8.363 -9.251 -9.666 460 HE2 MET 60 1HE MET 60 -8.207 -10.861 -8.962 461 HE3 MET 60 2HE MET 60 -9.448 -9.756 -8.370 462 H ILE 61 H ILE 61 -10.000 -8.308 -3.763 463 HA ILE 61 HA ILE 61 -8.300 -6.160 -4.646 464 HB ILE 61 HB ILE 61 -11.065 -6.142 -3.435 465 HG12 ILE 61 1HG1 ILE 61 -10.103 -5.696 -6.269 466 HG13 ILE 61 2HG1 ILE 61 -10.905 -7.146 -5.677 467 HG21 ILE 61 1HG2 ILE 61 -11.158 -3.785 -4.198 468 HG22 ILE 61 2HG2 ILE 61 -9.994 -4.055 -2.902 469 HG23 ILE 61 3HG2 ILE 61 -9.435 -3.872 -4.564 470 HD11 ILE 61 3HD1 ILE 61 -12.052 -4.763 -6.707 471 HD12 ILE 61 1HD1 ILE 61 -12.853 -6.246 -6.188 472 HD13 ILE 61 2HD1 ILE 61 -12.554 -4.952 -5.027 473 H ASP 62 H ASP 62 -9.083 -7.652 -1.643 474 HA ASP 62 HA ASP 62 -8.579 -5.504 0.110 475 HB2 ASP 62 1HB ASP 62 -9.656 -7.757 0.651 476 HB3 ASP 62 2HB ASP 62 -8.018 -8.400 0.737 477 H GLU 63 H GLU 63 -6.459 -8.106 -1.070 478 HA GLU 63 HA GLU 63 -4.147 -7.126 0.273 479 HB2 GLU 63 1HB GLU 63 -4.846 -9.406 -1.279 480 HB3 GLU 63 2HB GLU 63 -3.415 -8.685 -2.003 481 HG2 GLU 63 1HG GLU 63 -2.564 -8.637 0.473 482 HG3 GLU 63 2HG GLU 63 -3.770 -9.905 0.686 483 H VAL 64 H VAL 64 -5.717 -6.333 -2.682 484 HA VAL 64 HA VAL 64 -3.403 -5.147 -3.930 485 HB VAL 64 HB VAL 64 -6.334 -5.017 -4.643 486 HG11 VAL 64 1HG1 VAL 64 -3.926 -3.953 -6.112 487 HG12 VAL 64 2HG1 VAL 64 -5.534 -4.121 -6.820 488 HG13 VAL 64 3HG1 VAL 64 -5.277 -3.022 -5.464 489 HG21 VAL 64 3HG2 VAL 64 -4.849 -7.183 -4.827 490 HG22 VAL 64 1HG2 VAL 64 -5.976 -6.742 -6.109 491 HG23 VAL 64 2HG2 VAL 64 -4.258 -6.384 -6.284 492 H ASP 65 H ASP 65 -6.459 -3.881 -2.598 493 HA ASP 65 HA ASP 65 -5.752 -1.163 -2.811 494 HB2 ASP 65 1HB ASP 65 -8.053 -2.415 -2.268 495 HB3 ASP 65 2HB ASP 65 -7.580 -2.009 -0.621 496 H GLU 66 H GLU 66 -3.746 -0.713 -1.979 497 HA GLU 66 HA GLU 66 -2.866 -1.590 0.577 498 HB2 GLU 66 1HB GLU 66 -1.017 0.002 0.254 499 HB3 GLU 66 2HB GLU 66 -1.271 -1.005 -1.165 500 HG2 GLU 66 1HG GLU 66 -2.579 0.874 -2.163 501 HG3 GLU 66 2HG GLU 66 -2.075 1.868 -0.797 502 H ASP 67 H ASP 67 -4.440 1.323 -0.605 503 HA ASP 67 HA ASP 67 -4.348 2.524 2.058 504 HB2 ASP 67 1HB ASP 67 -5.502 4.455 0.840 505 HB3 ASP 67 2HB ASP 67 -3.839 4.104 0.378 506 H GLY 68 H GLY 68 -6.320 0.475 0.317 507 HA2 GLY 68 1HA GLY 68 -8.459 -0.295 0.633 508 HA3 GLY 68 2HA GLY 68 -8.344 0.388 2.248 509 H SER 69 H SER 69 -8.376 1.908 -0.969 510 HA SER 69 HA SER 69 -10.101 3.997 -0.088 511 HG SER 69 HG SER 69 -8.353 5.144 -1.018 512 HB2 SER 69 1HB SER 69 -9.209 3.173 -2.860 513 HB3 SER 69 2HB SER 69 -10.143 4.629 -2.514 514 H GLY 70 H GLY 70 -10.683 0.819 -1.005 515 HA2 GLY 70 1HA GLY 70 -12.894 -0.089 -0.764 516 HA3 GLY 70 2HA GLY 70 -13.540 1.431 -1.366 517 H THR 71 H THR 71 -11.254 1.270 -3.442 518 HA THR 71 HA THR 71 -12.216 -0.894 -5.136 519 HB THR 71 HB THR 71 -12.539 0.705 -7.064 520 HG1 THR 71 HG1 THR 71 -13.222 2.888 -6.074 521 HG21 THR 71 3HG2 THR 71 -14.341 -0.290 -5.396 522 HG22 THR 71 1HG2 THR 71 -14.787 0.862 -6.654 523 HG23 THR 71 2HG2 THR 71 -14.557 1.413 -4.995 524 H VAL 72 H VAL 72 -10.998 -0.820 -7.310 525 HA VAL 72 HA VAL 72 -8.173 -0.385 -6.687 526 HB VAL 72 HB VAL 72 -9.626 -2.107 -8.651 527 HG11 VAL 72 1HG1 VAL 72 -8.143 -1.200 -10.181 528 HG12 VAL 72 2HG1 VAL 72 -6.872 -0.984 -8.976 529 HG13 VAL 72 3HG1 VAL 72 -7.255 -2.598 -9.576 530 HG21 VAL 72 3HG2 VAL 72 -7.316 -3.307 -7.550 531 HG22 VAL 72 1HG2 VAL 72 -8.140 -2.456 -6.244 532 HG23 VAL 72 2HG2 VAL 72 -9.006 -3.664 -7.194 533 H ASP 73 H ASP 73 -7.107 1.300 -7.470 534 HA ASP 73 HA ASP 73 -8.322 2.876 -9.617 535 HB2 ASP 73 1HB ASP 73 -7.199 3.647 -7.239 536 HB3 ASP 73 2HB ASP 73 -5.870 3.907 -8.365 537 H PHE 74 H PHE 74 -6.493 4.067 -10.964 538 HA PHE 74 HA PHE 74 -5.403 2.184 -12.697 539 HD1 PHE 74 HD2 PHE 74 -4.196 2.075 -14.367 540 HD2 PHE 74 HD1 PHE 74 -3.147 6.153 -13.746 541 HE1 PHE 74 HE2 PHE 74 -2.435 1.879 -16.074 542 HE2 PHE 74 HE1 PHE 74 -1.385 5.964 -15.453 543 HZ PHE 74 HZ PHE 74 -1.026 3.824 -16.618 544 HB2 PHE 74 1HB PHE 74 -5.793 4.469 -13.404 545 HB3 PHE 74 2HB PHE 74 -4.609 5.067 -12.247 546 H ASP 75 H ASP 75 -4.048 3.698 -9.847 547 HA ASP 75 HA ASP 75 -1.358 2.881 -10.293 548 HB2 ASP 75 1HB ASP 75 -2.786 3.672 -7.746 549 HB3 ASP 75 2HB ASP 75 -1.046 3.439 -7.887 550 H GLU 76 H GLU 76 -3.770 1.706 -7.936 551 HA GLU 76 HA GLU 76 -2.317 -0.558 -7.151 552 HB2 GLU 76 1HB GLU 76 -5.316 -0.176 -7.137 553 HB3 GLU 76 2HB GLU 76 -4.425 -1.372 -6.206 554 HG2 GLU 76 1HG GLU 76 -3.785 0.115 -4.648 555 HG3 GLU 76 2HG GLU 76 -3.584 1.418 -5.818 556 H TRP 77 H TRP 77 -4.478 -0.004 -9.838 557 HA TRP 77 HA TRP 77 -4.907 -2.718 -10.532 558 HD1 TRP 77 HD1 TRP 77 -7.921 -2.647 -12.057 559 HE1 TRP 77 HE1 TRP 77 -8.152 -4.073 -14.187 560 HE3 TRP 77 HE3 TRP 77 -3.468 -1.496 -14.289 561 HZ2 TRP 77 HZ2 TRP 77 -6.645 -4.636 -16.507 562 HZ3 TRP 77 HZ3 TRP 77 -2.939 -2.521 -16.463 563 HH2 TRP 77 HH2 TRP 77 -4.496 -4.058 -17.547 564 HB2 TRP 77 1HB TRP 77 -6.281 -0.755 -11.313 565 HB3 TRP 77 2HB TRP 77 -4.958 -0.344 -12.402 566 H LEU 78 H LEU 78 -2.653 -0.267 -11.791 567 HA LEU 78 HA LEU 78 -1.393 -1.787 -13.726 568 HG LEU 78 HG LEU 78 -0.389 -0.146 -15.047 569 HB2 LEU 78 1HB LEU 78 -1.083 0.720 -12.747 570 HB3 LEU 78 2HB LEU 78 0.380 -0.054 -12.142 571 HD11 LEU 78 1HD1 LEU 78 1.254 1.726 -15.321 572 HD12 LEU 78 2HD1 LEU 78 1.169 1.967 -13.577 573 HD13 LEU 78 3HD1 LEU 78 -0.275 2.178 -14.567 574 HD21 LEU 78 3HD2 LEU 78 1.259 -1.734 -14.622 575 HD22 LEU 78 1HD2 LEU 78 2.077 -0.711 -13.442 576 HD23 LEU 78 2HD2 LEU 78 2.176 -0.327 -15.160 577 H VAL 79 H VAL 79 -0.394 -1.373 -10.329 578 HA VAL 79 HA VAL 79 1.759 -3.176 -10.421 579 HB VAL 79 HB VAL 79 1.671 -3.194 -7.987 580 HG11 VAL 79 1HG1 VAL 79 1.809 -0.859 -9.619 581 HG12 VAL 79 2HG1 VAL 79 1.098 -0.429 -8.062 582 HG13 VAL 79 3HG1 VAL 79 2.674 -1.219 -8.125 583 HG21 VAL 79 3HG2 VAL 79 -0.782 -3.395 -7.775 584 HG22 VAL 79 1HG2 VAL 79 -0.112 -2.124 -6.751 585 HG23 VAL 79 2HG2 VAL 79 -0.940 -1.704 -8.251 586 H MET 80 H MET 80 -1.665 -3.660 -10.059 587 HA MET 80 HA MET 80 -1.754 -6.159 -8.856 588 HB2 MET 80 1HB MET 80 -3.678 -4.592 -9.558 589 HB3 MET 80 2HB MET 80 -3.589 -5.404 -11.115 590 HG2 MET 80 1HG MET 80 -3.759 -7.565 -9.640 591 HG3 MET 80 2HG MET 80 -4.469 -6.449 -8.476 592 HE1 MET 80 3HE MET 80 -7.218 -4.907 -11.075 593 HE2 MET 80 1HE MET 80 -6.277 -4.517 -9.634 594 HE3 MET 80 2HE MET 80 -5.499 -4.537 -11.216 595 H MET 81 H MET 81 -1.430 -5.355 -12.302 596 HA MET 81 HA MET 81 -1.346 -8.038 -13.202 597 HB2 MET 81 1HB MET 81 -1.624 -5.678 -14.454 598 HB3 MET 81 2HB MET 81 0.085 -5.956 -14.757 599 HG2 MET 81 1HG MET 81 -1.135 -6.809 -16.606 600 HG3 MET 81 2HG MET 81 -0.508 -8.179 -15.694 601 HE1 MET 81 3HE MET 81 -3.594 -5.923 -14.699 602 HE2 MET 81 1HE MET 81 -3.643 -5.971 -16.462 603 HE3 MET 81 2HE MET 81 -4.901 -6.775 -15.523 604 H ALA 82 H ALA 82 1.115 -5.767 -12.139 605 HA ALA 82 HA ALA 82 3.400 -7.099 -13.020 606 HB1 ALA 82 1HB ALA 82 2.800 -4.912 -11.309 607 HB2 ALA 82 2HB ALA 82 3.962 -5.956 -10.488 608 HB3 ALA 82 3HB ALA 82 4.330 -5.315 -12.089 609 H ARG 83 H ARG 83 1.385 -7.636 -10.188 610 HA ARG 83 HA ARG 83 3.095 -9.377 -8.797 611 HE ARG 83 HE ARG 83 -1.110 -10.531 -6.371 612 HB2 ARG 83 1HB ARG 83 1.340 -9.718 -7.365 613 HB3 ARG 83 2HB ARG 83 0.791 -8.244 -8.151 614 HG2 ARG 83 1HG ARG 83 -0.361 -9.919 -9.803 615 HG3 ARG 83 2HG ARG 83 -0.203 -11.032 -8.442 616 HD2 ARG 83 1HD ARG 83 -1.295 -8.318 -7.917 617 HD3 ARG 83 2HD ARG 83 -2.328 -9.480 -8.748 618 HH11 ARG 83 1HH1 ARG 83 -3.790 -8.704 -7.635 619 HH12 ARG 83 2HH1 ARG 83 -4.837 -9.070 -6.304 620 HH21 ARG 83 1HH2 ARG 83 -2.479 -11.020 -4.613 621 HH22 ARG 83 2HH2 ARG 83 -4.090 -10.387 -4.585 622 H CYS 84 H CYS 84 1.127 -9.835 -11.597 623 HA CYS 84 HA CYS 84 0.860 -12.659 -11.443 624 HG CYS 84 HG CYS 84 -0.753 -13.880 -12.844 625 HB2 CYS 84 1HB CYS 84 -0.411 -10.911 -12.921 626 HB3 CYS 84 2HB CYS 84 0.909 -11.181 -14.052 627 H MET 85 H MET 85 3.457 -10.591 -12.260 628 HA MET 85 HA MET 85 4.851 -12.479 -13.931 629 HB2 MET 85 1HB MET 85 6.318 -10.797 -14.346 630 HB3 MET 85 2HB MET 85 5.012 -9.805 -13.712 631 HG2 MET 85 1HG MET 85 6.081 -9.925 -11.477 632 HG3 MET 85 2HG MET 85 7.432 -10.779 -12.218 633 HE1 MET 85 3HE MET 85 5.210 -7.829 -13.472 634 HE2 MET 85 1HE MET 85 5.585 -7.309 -11.829 635 HE3 MET 85 2HE MET 85 6.252 -6.431 -13.205 636 H LYS 86 H LYS 86 4.678 -11.715 -10.552 637 HA LYS 86 HA LYS 86 5.936 -12.395 -8.743 638 HB2 LYS 86 1HB LYS 86 5.144 -14.818 -10.303 639 HB3 LYS 86 2HB LYS 86 6.171 -15.022 -8.890 640 HG2 LYS 86 1HG LYS 86 4.377 -14.964 -7.602 641 HG3 LYS 86 2HG LYS 86 4.060 -13.311 -8.134 642 HD2 LYS 86 1HD LYS 86 2.127 -14.192 -8.887 643 HD3 LYS 86 2HD LYS 86 3.121 -14.705 -10.254 644 HE2 LYS 86 1HE LYS 86 2.746 -16.406 -7.803 645 HE3 LYS 86 2HE LYS 86 1.636 -16.468 -9.171 646 HZ1 LYS 86 3HZ LYS 86 3.574 -16.991 -10.592 647 HZ2 LYS 86 1HZ LYS 86 3.263 -18.175 -9.425 648 HZ3 LYS 86 2HZ LYS 86 4.538 -17.086 -9.205 649 H ASP 87 H ASP 87 7.705 -11.239 -10.378 650 HA ASP 87 HA ASP 87 9.831 -12.953 -11.200 651 HB2 ASP 87 1HB ASP 87 9.435 -10.739 -12.220 652 HB3 ASP 87 2HB ASP 87 9.858 -9.970 -10.693 653 H ASP 88 H ASP 88 9.070 -11.183 -8.280 654 HA ASP 88 HA ASP 88 10.007 -11.156 -6.208 655 HB2 ASP 88 1HB ASP 88 9.898 -13.716 -6.795 656 HB3 ASP 88 2HB ASP 88 11.652 -13.569 -6.866 657 H SER 89 H SER 89 11.237 -9.554 -8.111 658 HA SER 89 HA SER 89 14.104 -9.912 -7.902 659 HG SER 89 HG SER 89 15.130 -7.720 -9.314 660 HB2 SER 89 1HB SER 89 13.505 -9.037 -9.987 661 HB3 SER 89 2HB SER 89 12.316 -7.936 -9.291 Start of MODEL 15 1 HA MET 1 HA MET 1 1.797 -0.868 -1.828 2 H1 MET 1 H MET 1 1.426 -1.040 1.006 3 HB2 MET 1 1HB MET 1 2.700 0.677 0.552 4 HB3 MET 1 2HB MET 1 3.626 0.852 -0.933 5 HG2 MET 1 1HG MET 1 0.650 1.196 -0.877 6 HG3 MET 1 2HG MET 1 1.752 2.517 -0.494 7 HE1 MET 1 3HE MET 1 3.316 3.463 -1.732 8 HE2 MET 1 1HE MET 1 3.880 3.028 -3.346 9 HE3 MET 1 2HE MET 1 2.556 4.177 -3.154 10 H ASP 2 H ASP 2 2.794 -2.763 -2.499 11 HA ASP 2 HA ASP 2 5.299 -3.591 -1.310 12 HB2 ASP 2 1HB ASP 2 3.469 -4.665 -3.405 13 HB3 ASP 2 2HB ASP 2 5.153 -5.180 -3.435 14 H ASP 3 H ASP 3 7.132 -2.598 -1.796 15 HA ASP 3 HA ASP 3 7.430 -0.925 -4.087 16 HB2 ASP 3 1HB ASP 3 9.335 -1.881 -1.956 17 HB3 ASP 3 2HB ASP 3 9.871 -0.880 -3.303 18 H ILE 4 H ILE 4 8.089 -4.250 -3.399 19 HA ILE 4 HA ILE 4 10.023 -4.705 -5.426 20 HB ILE 4 HB ILE 4 9.833 -6.291 -3.632 21 HG12 ILE 4 1HG1 ILE 4 8.718 -7.969 -5.803 22 HG13 ILE 4 2HG1 ILE 4 10.106 -6.976 -6.233 23 HG21 ILE 4 1HG2 ILE 4 7.003 -6.679 -4.588 24 HG22 ILE 4 2HG2 ILE 4 7.813 -7.752 -3.447 25 HG23 ILE 4 3HG2 ILE 4 7.535 -6.063 -3.023 26 HD11 ILE 4 3HD1 ILE 4 9.950 -9.071 -4.084 27 HD12 ILE 4 1HD1 ILE 4 10.900 -9.115 -5.569 28 HD13 ILE 4 2HD1 ILE 4 11.313 -7.971 -4.291 29 H TYR 5 H TYR 5 6.528 -4.665 -5.371 30 HA TYR 5 HA TYR 5 6.295 -5.816 -8.016 31 HD1 TYR 5 HD1 TYR 5 5.589 -7.650 -7.874 32 HD2 TYR 5 HD2 TYR 5 3.204 -6.187 -4.669 33 HE1 TYR 5 HE1 TYR 5 5.379 -9.937 -6.995 34 HE2 TYR 5 HE2 TYR 5 2.988 -8.470 -3.781 35 HH TYR 5 HH TYR 5 3.288 -10.667 -4.258 36 HB2 TYR 5 1HB TYR 5 4.276 -4.665 -6.089 37 HB3 TYR 5 2HB TYR 5 3.845 -5.245 -7.694 38 H LYS 6 H LYS 6 5.871 -2.646 -6.495 39 HA LYS 6 HA LYS 6 5.039 -1.285 -8.828 40 HB2 LYS 6 1HB LYS 6 5.247 0.692 -7.585 41 HB3 LYS 6 2HB LYS 6 4.864 -0.531 -6.380 42 HG2 LYS 6 1HG LYS 6 6.569 0.494 -5.303 43 HG3 LYS 6 2HG LYS 6 7.512 -0.668 -6.240 44 HD2 LYS 6 1HD LYS 6 8.337 0.927 -7.645 45 HD3 LYS 6 2HD LYS 6 6.901 1.945 -7.509 46 HE2 LYS 6 1HE LYS 6 7.597 2.564 -5.224 47 HE3 LYS 6 2HE LYS 6 9.059 1.601 -5.429 48 HZ1 LYS 6 3HZ LYS 6 9.793 3.042 -7.159 49 HZ2 LYS 6 1HZ LYS 6 9.361 4.011 -5.842 50 HZ3 LYS 6 2HZ LYS 6 8.328 3.886 -7.175 51 H ALA 7 H ALA 7 8.184 -2.073 -7.511 52 HA ALA 7 HA ALA 7 9.691 -0.318 -9.165 53 HB1 ALA 7 1HB ALA 7 10.345 -2.678 -7.453 54 HB2 ALA 7 2HB ALA 7 11.560 -2.023 -8.552 55 HB3 ALA 7 3HB ALA 7 10.863 -0.999 -7.297 56 H ALA 8 H ALA 8 8.494 -3.595 -9.523 57 HA ALA 8 HA ALA 8 10.048 -4.272 -11.803 58 HB1 ALA 8 1HB ALA 8 7.378 -5.437 -11.038 59 HB2 ALA 8 2HB ALA 8 8.649 -6.190 -12.003 60 HB3 ALA 8 3HB ALA 8 8.903 -5.900 -10.282 61 H VAL 9 H VAL 9 6.710 -3.107 -11.415 62 HA VAL 9 HA VAL 9 6.063 -3.067 -14.154 63 HB VAL 9 HB VAL 9 4.298 -1.394 -13.466 64 HG11 VAL 9 1HG1 VAL 9 3.277 -3.150 -11.770 65 HG12 VAL 9 2HG1 VAL 9 3.441 -3.509 -13.490 66 HG13 VAL 9 3HG1 VAL 9 4.631 -4.123 -12.342 67 HG21 VAL 9 3HG2 VAL 9 5.610 -0.440 -11.581 68 HG22 VAL 9 1HG2 VAL 9 3.976 -0.927 -11.132 69 HG23 VAL 9 2HG2 VAL 9 5.350 -1.942 -10.693 70 H GLU 10 H GLU 10 7.701 -0.767 -12.085 71 HA GLU 10 HA GLU 10 7.534 1.478 -13.790 72 HB2 GLU 10 1HB GLU 10 9.196 0.693 -11.452 73 HB3 GLU 10 2HB GLU 10 9.796 1.999 -12.464 74 HG2 GLU 10 1HG GLU 10 7.130 2.627 -12.061 75 HG3 GLU 10 2HG GLU 10 7.670 1.998 -10.506 76 H GLN 11 H GLN 11 9.454 -1.375 -13.883 77 HA GLN 11 HA GLN 11 11.433 -0.217 -15.671 78 HB2 GLN 11 1HB GLN 11 11.166 -3.119 -14.900 79 HB3 GLN 11 2HB GLN 11 12.591 -2.292 -15.513 80 HG2 GLN 11 1HG GLN 11 11.890 -0.913 -13.195 81 HG3 GLN 11 2HG GLN 11 11.681 -2.620 -12.806 82 HE21 GLN 11 2HE2 GLN 11 13.987 -0.790 -14.792 83 HE22 GLN 11 1HE2 GLN 11 15.404 -1.431 -14.040 84 H LEU 12 H LEU 12 8.372 -1.078 -16.095 85 HA LEU 12 HA LEU 12 8.459 -2.864 -18.297 86 HG LEU 12 HG LEU 12 6.789 -3.010 -15.962 87 HB2 LEU 12 1HB LEU 12 6.371 -0.917 -17.347 88 HB3 LEU 12 2HB LEU 12 6.128 -1.998 -18.717 89 HD11 LEU 12 1HD1 LEU 12 4.735 -1.659 -15.863 90 HD12 LEU 12 2HD1 LEU 12 4.426 -3.375 -15.604 91 HD13 LEU 12 3HD1 LEU 12 4.048 -2.638 -17.160 92 HD21 LEU 12 3HD2 LEU 12 5.752 -5.066 -16.840 93 HD22 LEU 12 1HD2 LEU 12 7.173 -4.577 -17.763 94 HD23 LEU 12 2HD2 LEU 12 5.558 -4.278 -18.407 95 H THR 13 H THR 13 7.509 -2.181 -20.478 96 HA THR 13 HA THR 13 9.189 -0.063 -21.519 97 HB THR 13 HB THR 13 7.383 -1.203 -23.472 98 HG1 THR 13 HG1 THR 13 9.000 -3.033 -21.997 99 HG21 THR 13 3HG2 THR 13 9.510 -1.816 -24.559 100 HG22 THR 13 1HG2 THR 13 10.377 -1.342 -23.099 101 HG23 THR 13 2HG2 THR 13 9.495 -0.134 -24.032 102 H GLU 14 H GLU 14 8.410 1.670 -22.829 103 HA GLU 14 HA GLU 14 6.383 3.184 -21.748 104 HB2 GLU 14 1HB GLU 14 7.324 3.238 -24.621 105 HB3 GLU 14 2HB GLU 14 6.462 4.529 -23.797 106 HG2 GLU 14 1HG GLU 14 9.046 3.532 -22.691 107 HG3 GLU 14 2HG GLU 14 9.041 4.642 -24.060 108 H GLU 15 H GLU 15 6.207 1.008 -24.547 109 HA GLU 15 HA GLU 15 3.475 1.519 -25.112 110 HB2 GLU 15 1HB GLU 15 3.601 -0.343 -26.622 111 HB3 GLU 15 2HB GLU 15 5.112 0.549 -26.730 112 HG2 GLU 15 1HG GLU 15 5.879 -1.205 -24.921 113 HG3 GLU 15 2HG GLU 15 4.578 -2.156 -25.633 114 H GLN 16 H GLN 16 5.143 -0.824 -23.091 115 HA GLN 16 HA GLN 16 3.009 -2.557 -22.574 116 HB2 GLN 16 1HB GLN 16 5.416 -1.797 -20.923 117 HB3 GLN 16 2HB GLN 16 4.270 -3.032 -20.418 118 HG2 GLN 16 1HG GLN 16 5.969 -3.063 -22.901 119 HG3 GLN 16 2HG GLN 16 6.180 -4.057 -21.461 120 HE21 GLN 16 2HE2 GLN 16 4.786 -3.844 -24.503 121 HE22 GLN 16 1HE2 GLN 16 3.748 -5.223 -24.409 122 H LYS 17 H LYS 17 4.134 0.254 -20.697 123 HA LYS 17 HA LYS 17 2.215 0.185 -18.692 124 HB2 LYS 17 1HB LYS 17 3.636 2.536 -19.948 125 HB3 LYS 17 2HB LYS 17 2.639 2.664 -18.504 126 HG2 LYS 17 1HG LYS 17 4.946 0.756 -18.650 127 HG3 LYS 17 2HG LYS 17 5.165 2.450 -18.205 128 HD2 LYS 17 1HD LYS 17 3.194 1.906 -16.536 129 HD3 LYS 17 2HD LYS 17 3.787 0.255 -16.736 130 HE2 LYS 17 1HE LYS 17 5.061 0.931 -14.960 131 HE3 LYS 17 2HE LYS 17 6.117 1.395 -16.293 132 HZ1 LYS 17 3HZ LYS 17 6.097 3.416 -15.407 133 HZ2 LYS 17 1HZ LYS 17 4.836 3.039 -14.345 134 HZ3 LYS 17 2HZ LYS 17 4.491 3.559 -15.916 135 H ASN 18 H ASN 18 2.045 1.538 -21.937 136 HA ASN 18 HA ASN 18 -0.460 2.845 -21.568 137 HB2 ASN 18 1HB ASN 18 1.347 2.260 -23.844 138 HB3 ASN 18 2HB ASN 18 -0.350 2.511 -24.243 139 HD21 ASN 18 2HD2 ASN 18 2.401 4.049 -24.294 140 HD22 ASN 18 1HD2 ASN 18 1.919 5.650 -23.858 141 H GLU 19 H GLU 19 0.503 -0.393 -22.313 142 HA GLU 19 HA GLU 19 -1.886 -1.279 -23.542 143 HB2 GLU 19 1HB GLU 19 0.605 -2.413 -22.755 144 HB3 GLU 19 2HB GLU 19 -0.678 -3.415 -22.091 145 HG2 GLU 19 1HG GLU 19 -1.354 -2.787 -24.772 146 HG3 GLU 19 2HG GLU 19 0.320 -3.336 -24.739 147 H PHE 20 H PHE 20 -0.698 -1.830 -20.222 148 HA PHE 20 HA PHE 20 -3.148 -2.874 -19.276 149 HD1 PHE 20 HD1 PHE 20 -2.749 -1.219 -15.809 150 HD2 PHE 20 HD2 PHE 20 0.716 -1.021 -18.273 151 HE1 PHE 20 HE1 PHE 20 -1.950 0.721 -14.524 152 HE2 PHE 20 HE2 PHE 20 1.521 0.919 -16.992 153 HZ PHE 20 HZ PHE 20 0.188 1.792 -15.114 154 HB2 PHE 20 1HB PHE 20 -2.104 -3.078 -17.235 155 HB3 PHE 20 2HB PHE 20 -0.698 -2.965 -18.288 156 H LYS 21 H LYS 21 -1.832 0.363 -19.453 157 HA LYS 21 HA LYS 21 -3.579 1.662 -17.690 158 HB2 LYS 21 1HB LYS 21 -1.551 2.707 -18.614 159 HB3 LYS 21 2HB LYS 21 -2.295 2.741 -20.207 160 HG2 LYS 21 1HG LYS 21 -3.745 4.057 -17.981 161 HG3 LYS 21 2HG LYS 21 -2.294 4.844 -18.608 162 HD2 LYS 21 1HD LYS 21 -3.368 4.457 -20.926 163 HD3 LYS 21 2HD LYS 21 -4.863 4.212 -20.019 164 HE2 LYS 21 1HE LYS 21 -3.129 6.646 -19.677 165 HE3 LYS 21 2HE LYS 21 -4.423 6.560 -20.872 166 HZ1 LYS 21 3HZ LYS 21 -5.112 7.599 -18.767 167 HZ2 LYS 21 1HZ LYS 21 -4.798 6.147 -17.956 168 HZ3 LYS 21 2HZ LYS 21 -6.014 6.214 -19.130 169 H ALA 22 H ALA 22 -3.870 0.976 -21.154 170 HA ALA 22 HA ALA 22 -6.285 2.351 -21.586 171 HB1 ALA 22 1HB ALA 22 -4.566 1.234 -23.243 172 HB2 ALA 22 2HB ALA 22 -5.693 -0.119 -23.135 173 HB3 ALA 22 3HB ALA 22 -6.258 1.457 -23.690 174 H ALA 23 H ALA 23 -5.612 -0.969 -20.578 175 HA ALA 23 HA ALA 23 -8.233 -1.962 -20.727 176 HB1 ALA 23 1HB ALA 23 -5.695 -2.839 -19.672 177 HB2 ALA 23 2HB ALA 23 -7.021 -3.296 -18.603 178 HB3 ALA 23 3HB ALA 23 -7.043 -3.789 -20.296 179 H PHE 24 H PHE 24 -6.635 0.021 -18.352 180 HA PHE 24 HA PHE 24 -8.360 -0.403 -16.174 181 HD1 PHE 24 HD1 PHE 24 -7.293 0.225 -13.739 182 HD2 PHE 24 HD2 PHE 24 -7.951 3.840 -15.887 183 HE1 PHE 24 HE1 PHE 24 -8.110 1.296 -11.679 184 HE2 PHE 24 HE2 PHE 24 -8.768 4.917 -13.831 185 HZ PHE 24 HZ PHE 24 -8.847 3.645 -11.723 186 HB2 PHE 24 1HB PHE 24 -6.191 0.729 -15.955 187 HB3 PHE 24 2HB PHE 24 -6.796 2.082 -16.904 188 H ASP 25 H ASP 25 -8.584 1.685 -18.981 189 HA ASP 25 HA ASP 25 -10.739 3.281 -18.077 190 HB2 ASP 25 1HB ASP 25 -9.360 4.000 -19.942 191 HB3 ASP 25 2HB ASP 25 -9.842 2.591 -20.883 192 H ILE 26 H ILE 26 -10.613 0.340 -20.062 193 HA ILE 26 HA ILE 26 -13.402 0.158 -20.490 194 HB ILE 26 HB ILE 26 -11.328 -2.038 -20.526 195 HG12 ILE 26 1HG1 ILE 26 -12.041 -1.498 -23.125 196 HG13 ILE 26 2HG1 ILE 26 -12.054 0.104 -22.397 197 HG21 ILE 26 1HG2 ILE 26 -13.521 -2.993 -20.301 198 HG22 ILE 26 2HG2 ILE 26 -14.148 -1.959 -21.584 199 HG23 ILE 26 3HG2 ILE 26 -12.973 -3.219 -21.962 200 HD11 ILE 26 3HD1 ILE 26 -9.882 0.088 -22.923 201 HD12 ILE 26 1HD1 ILE 26 -9.717 -0.865 -21.449 202 HD13 ILE 26 2HD1 ILE 26 -9.810 -1.671 -23.015 203 H PHE 27 H PHE 27 -11.321 -0.842 -17.883 204 HA PHE 27 HA PHE 27 -13.232 -2.604 -16.668 205 HD1 PHE 27 HD1 PHE 27 -10.934 -3.157 -18.202 206 HD2 PHE 27 HD2 PHE 27 -10.726 -4.276 -14.101 207 HE1 PHE 27 HE1 PHE 27 -10.151 -5.396 -18.856 208 HE2 PHE 27 HE2 PHE 27 -9.942 -6.516 -14.748 209 HZ PHE 27 HZ PHE 27 -9.653 -7.079 -17.128 210 HB2 PHE 27 1HB PHE 27 -10.560 -1.499 -15.900 211 HB3 PHE 27 2HB PHE 27 -11.576 -2.215 -14.653 212 H VAL 28 H VAL 28 -12.206 0.740 -16.200 213 HA VAL 28 HA VAL 28 -14.004 1.119 -13.961 214 HB VAL 28 HB VAL 28 -13.196 3.394 -13.887 215 HG11 VAL 28 1HG1 VAL 28 -10.567 2.487 -14.316 216 HG12 VAL 28 2HG1 VAL 28 -11.457 2.551 -12.793 217 HG13 VAL 28 3HG1 VAL 28 -11.500 1.090 -13.781 218 HG21 VAL 28 3HG2 VAL 28 -12.045 2.739 -16.581 219 HG22 VAL 28 1HG2 VAL 28 -13.082 4.088 -16.118 220 HG23 VAL 28 2HG2 VAL 28 -11.399 4.050 -15.593 221 H LEU 29 H LEU 29 -14.609 0.747 -17.085 222 HA LEU 29 HA LEU 29 -16.028 2.940 -17.993 223 HG LEU 29 HG LEU 29 -14.709 1.556 -19.920 224 HB2 LEU 29 1HB LEU 29 -16.071 0.037 -18.516 225 HB3 LEU 29 2HB LEU 29 -17.513 0.928 -18.998 226 HD11 LEU 29 1HD1 LEU 29 -15.042 0.315 -21.795 227 HD12 LEU 29 2HD1 LEU 29 -16.795 0.496 -21.742 228 HD13 LEU 29 3HD1 LEU 29 -15.994 -0.642 -20.659 229 HD21 LEU 29 3HD2 LEU 29 -17.408 2.639 -20.712 230 HD22 LEU 29 1HD2 LEU 29 -15.911 2.942 -21.594 231 HD23 LEU 29 2HD2 LEU 29 -16.090 3.519 -19.937 232 H GLY 30 H GLY 30 -16.876 0.624 -15.548 233 HA2 GLY 30 1HA GLY 30 -19.642 1.596 -15.470 234 HA3 GLY 30 2HA GLY 30 -19.016 0.198 -14.609 235 H ALA 31 H ALA 31 -17.589 3.424 -14.686 236 HA ALA 31 HA ALA 31 -18.633 4.198 -12.139 237 HB1 ALA 31 1HB ALA 31 -15.706 3.484 -12.215 238 HB2 ALA 31 2HB ALA 31 -16.625 4.082 -10.834 239 HB3 ALA 31 3HB ALA 31 -16.958 2.478 -11.486 240 H GLU 32 H GLU 32 -19.056 6.229 -12.788 241 HA GLU 32 HA GLU 32 -17.601 7.751 -14.605 242 HB2 GLU 32 1HB GLU 32 -19.293 8.744 -12.303 243 HB3 GLU 32 2HB GLU 32 -18.806 9.692 -13.701 244 HG2 GLU 32 1HG GLU 32 -20.409 7.172 -13.964 245 HG3 GLU 32 2HG GLU 32 -21.158 8.744 -13.697 246 H ASP 33 H ASP 33 -17.053 7.154 -11.234 247 HA ASP 33 HA ASP 33 -15.314 9.365 -10.762 248 HB2 ASP 33 1HB ASP 33 -15.842 6.783 -9.303 249 HB3 ASP 33 2HB ASP 33 -14.596 7.907 -8.768 250 H GLY 34 H GLY 34 -14.934 6.235 -12.182 251 HA2 GLY 34 1HA GLY 34 -13.102 5.621 -13.530 252 HA3 GLY 34 2HA GLY 34 -12.135 6.858 -12.740 253 H CYS 35 H CYS 35 -14.025 4.130 -11.454 254 HA CYS 35 HA CYS 35 -11.550 2.920 -10.470 255 HG CYS 35 HG CYS 35 -15.387 2.969 -8.778 256 HB2 CYS 35 1HB CYS 35 -12.700 2.534 -8.241 257 HB3 CYS 35 2HB CYS 35 -12.197 4.188 -8.568 258 H ILE 36 H ILE 36 -12.168 0.751 -9.316 259 HA ILE 36 HA ILE 36 -14.317 -0.559 -10.845 260 HB ILE 36 HB ILE 36 -11.582 -1.714 -10.286 261 HG12 ILE 36 1HG1 ILE 36 -12.549 -1.515 -13.055 262 HG13 ILE 36 2HG1 ILE 36 -12.281 0.040 -12.274 263 HG21 ILE 36 1HG2 ILE 36 -12.443 -3.562 -11.789 264 HG22 ILE 36 2HG2 ILE 36 -13.125 -3.493 -10.165 265 HG23 ILE 36 3HG2 ILE 36 -14.052 -2.885 -11.536 266 HD11 ILE 36 3HD1 ILE 36 -10.001 -1.098 -11.596 267 HD12 ILE 36 1HD1 ILE 36 -10.342 -2.069 -13.028 268 HD13 ILE 36 2HD1 ILE 36 -10.222 -0.314 -13.160 269 H SER 37 H SER 37 -15.808 -1.184 -9.435 270 HA SER 37 HA SER 37 -15.070 -1.855 -6.703 271 HG SER 37 HG SER 37 -18.146 -1.474 -5.538 272 HB2 SER 37 1HB SER 37 -17.012 -0.434 -6.986 273 HB3 SER 37 2HB SER 37 -17.764 -1.612 -8.062 274 H THR 38 H THR 38 -15.647 -3.826 -5.688 275 HA THR 38 HA THR 38 -15.003 -6.138 -7.077 276 HB THR 38 HB THR 38 -14.816 -6.215 -4.720 277 HG1 THR 38 HG1 THR 38 -17.130 -7.790 -5.194 278 HG21 THR 38 3HG2 THR 38 -16.201 -4.943 -3.513 279 HG22 THR 38 1HG2 THR 38 -17.376 -6.252 -3.639 280 HG23 THR 38 2HG2 THR 38 -17.410 -4.921 -4.797 281 H LYS 39 H LYS 39 -18.037 -4.494 -6.810 282 HA LYS 39 HA LYS 39 -19.768 -6.631 -7.442 283 HB2 LYS 39 1HB LYS 39 -20.242 -4.174 -6.610 284 HB3 LYS 39 2HB LYS 39 -20.366 -3.839 -8.332 285 HG2 LYS 39 1HG LYS 39 -22.556 -4.263 -7.594 286 HG3 LYS 39 2HG LYS 39 -22.047 -5.723 -8.447 287 HD2 LYS 39 1HD LYS 39 -22.989 -6.621 -6.548 288 HD3 LYS 39 2HD LYS 39 -21.297 -6.493 -6.059 289 HE2 LYS 39 1HE LYS 39 -23.099 -4.183 -5.541 290 HE3 LYS 39 2HE LYS 39 -23.261 -5.613 -4.522 291 HZ1 LYS 39 3HZ LYS 39 -21.320 -3.582 -4.395 292 HZ2 LYS 39 1HZ LYS 39 -20.545 -5.047 -4.736 293 HZ3 LYS 39 2HZ LYS 39 -21.527 -4.909 -3.366 294 H GLU 40 H GLU 40 -18.397 -4.075 -9.517 295 HA GLU 40 HA GLU 40 -19.352 -5.327 -11.916 296 HB2 GLU 40 1HB GLU 40 -17.241 -3.182 -11.756 297 HB3 GLU 40 2HB GLU 40 -18.341 -3.524 -13.083 298 HG2 GLU 40 1HG GLU 40 -20.213 -2.900 -11.471 299 HG3 GLU 40 2HG GLU 40 -18.942 -2.232 -10.448 300 H LEU 41 H LEU 41 -16.290 -5.153 -10.188 301 HA LEU 41 HA LEU 41 -14.554 -6.172 -12.076 302 HG LEU 41 HG LEU 41 -12.980 -8.218 -9.860 303 HB2 LEU 41 1HB LEU 41 -13.831 -5.342 -9.909 304 HB3 LEU 41 2HB LEU 41 -14.609 -6.706 -9.109 305 HD11 LEU 41 1HD1 LEU 41 -11.121 -7.119 -11.432 306 HD12 LEU 41 2HD1 LEU 41 -12.524 -6.192 -11.962 307 HD13 LEU 41 3HD1 LEU 41 -12.542 -7.952 -12.063 308 HD21 LEU 41 3HD2 LEU 41 -11.754 -5.585 -9.091 309 HD22 LEU 41 1HD2 LEU 41 -10.794 -7.050 -9.294 310 HD23 LEU 41 2HD2 LEU 41 -12.066 -6.992 -8.074 311 H GLY 42 H GLY 42 -16.965 -7.836 -10.162 312 HA2 GLY 42 1HA GLY 42 -16.040 -10.479 -10.644 313 HA3 GLY 42 2HA GLY 42 -17.658 -10.028 -10.126 314 H LYS 43 H LYS 43 -18.090 -8.289 -12.450 315 HA LYS 43 HA LYS 43 -19.183 -10.243 -14.203 316 HB2 LYS 43 1HB LYS 43 -19.249 -7.343 -13.911 317 HB3 LYS 43 2HB LYS 43 -19.208 -7.844 -15.597 318 HG2 LYS 43 1HG LYS 43 -21.108 -9.474 -14.859 319 HG3 LYS 43 2HG LYS 43 -21.290 -8.335 -13.523 320 HD2 LYS 43 1HD LYS 43 -22.415 -6.944 -14.841 321 HD3 LYS 43 2HD LYS 43 -21.045 -6.861 -15.951 322 HE2 LYS 43 1HE LYS 43 -23.119 -7.600 -17.058 323 HE3 LYS 43 2HE LYS 43 -21.841 -8.812 -17.136 324 HZ1 LYS 43 3HZ LYS 43 -24.068 -9.708 -16.571 325 HZ2 LYS 43 1HZ LYS 43 -24.018 -8.839 -15.120 326 HZ3 LYS 43 2HZ LYS 43 -22.883 -10.058 -15.415 327 H VAL 44 H VAL 44 -16.489 -7.944 -14.511 328 HA VAL 44 HA VAL 44 -15.734 -8.563 -17.121 329 HB VAL 44 HB VAL 44 -13.834 -7.811 -14.900 330 HG11 VAL 44 1HG1 VAL 44 -13.548 -8.210 -17.731 331 HG12 VAL 44 2HG1 VAL 44 -13.181 -6.537 -17.306 332 HG13 VAL 44 3HG1 VAL 44 -12.315 -7.857 -16.520 333 HG21 VAL 44 3HG2 VAL 44 -15.708 -6.114 -16.529 334 HG22 VAL 44 1HG2 VAL 44 -15.570 -6.215 -14.774 335 HG23 VAL 44 2HG2 VAL 44 -14.289 -5.454 -15.717 336 H MET 45 H MET 45 -15.152 -10.252 -14.126 337 HA MET 45 HA MET 45 -12.986 -11.840 -14.756 338 HB2 MET 45 1HB MET 45 -15.458 -12.560 -13.174 339 HB3 MET 45 2HB MET 45 -13.983 -13.518 -13.197 340 HG2 MET 45 1HG MET 45 -13.594 -10.692 -12.534 341 HG3 MET 45 2HG MET 45 -14.565 -11.598 -11.376 342 HE1 MET 45 3HE MET 45 -10.399 -13.084 -12.667 343 HE2 MET 45 1HE MET 45 -11.895 -13.610 -13.440 344 HE3 MET 45 2HE MET 45 -11.372 -11.932 -13.584 345 H ARG 46 H ARG 46 -16.262 -12.033 -15.918 346 HA ARG 46 HA ARG 46 -16.297 -14.663 -16.866 347 HE ARG 46 HE ARG 46 -18.702 -10.505 -20.361 348 HB2 ARG 46 1HB ARG 46 -18.173 -14.038 -18.166 349 HB3 ARG 46 2HB ARG 46 -18.236 -13.029 -16.727 350 HG2 ARG 46 1HG ARG 46 -17.017 -11.275 -18.151 351 HG3 ARG 46 2HG ARG 46 -17.506 -12.265 -19.527 352 HD2 ARG 46 1HD ARG 46 -19.858 -12.113 -18.298 353 HD3 ARG 46 2HD ARG 46 -19.148 -10.623 -17.679 354 HH11 ARG 46 1HH1 ARG 46 -21.524 -10.951 -18.372 355 HH12 ARG 46 2HH1 ARG 46 -22.600 -10.198 -19.503 356 HH21 ARG 46 1HH2 ARG 46 -20.108 -9.512 -21.857 357 HH22 ARG 46 2HH2 ARG 46 -21.794 -9.381 -21.485 358 H MET 47 H MET 47 -14.895 -11.747 -18.203 359 HA MET 47 HA MET 47 -14.450 -12.709 -20.824 360 HB2 MET 47 1HB MET 47 -13.153 -10.529 -19.197 361 HB3 MET 47 2HB MET 47 -12.663 -10.882 -20.848 362 HG2 MET 47 1HG MET 47 -15.478 -10.189 -20.055 363 HG3 MET 47 2HG MET 47 -14.290 -9.008 -20.598 364 HE1 MET 47 3HE MET 47 -14.667 -8.189 -23.188 365 HE2 MET 47 1HE MET 47 -16.154 -8.884 -23.834 366 HE3 MET 47 2HE MET 47 -16.108 -8.287 -22.175 367 H LEU 48 H LEU 48 -12.562 -12.858 -17.854 368 HA LEU 48 HA LEU 48 -10.197 -13.885 -19.039 369 HG LEU 48 HG LEU 48 -8.548 -12.907 -17.319 370 HB2 LEU 48 1HB LEU 48 -11.272 -13.658 -16.274 371 HB3 LEU 48 2HB LEU 48 -9.910 -14.739 -16.559 372 HD11 LEU 48 1HD1 LEU 48 -9.797 -11.392 -18.470 373 HD12 LEU 48 2HD1 LEU 48 -9.684 -10.551 -16.925 374 HD13 LEU 48 3HD1 LEU 48 -11.140 -11.461 -17.328 375 HD21 LEU 48 3HD2 LEU 48 -9.693 -11.583 -14.965 376 HD22 LEU 48 1HD2 LEU 48 -8.060 -12.186 -15.250 377 HD23 LEU 48 2HD2 LEU 48 -9.335 -13.297 -14.748 378 H GLY 49 H GLY 49 -13.198 -15.306 -18.070 379 HA2 GLY 49 1HA GLY 49 -13.860 -17.435 -18.940 380 HA3 GLY 49 2HA GLY 49 -12.173 -17.927 -18.925 381 H GLN 50 H GLN 50 -13.264 -16.250 -16.147 382 HA GLN 50 HA GLN 50 -13.650 -18.789 -14.711 383 HB2 GLN 50 1HB GLN 50 -11.912 -16.451 -13.954 384 HB3 GLN 50 2HB GLN 50 -12.496 -17.596 -12.753 385 HG2 GLN 50 1HG GLN 50 -11.474 -19.375 -14.352 386 HG3 GLN 50 2HG GLN 50 -10.550 -18.008 -14.972 387 HE21 GLN 50 2HE2 GLN 50 -10.040 -16.560 -12.750 388 HE22 GLN 50 1HE2 GLN 50 -9.065 -17.466 -11.649 389 H ASN 51 H ASN 51 -14.904 -18.633 -12.753 390 HA ASN 51 HA ASN 51 -16.496 -16.190 -12.471 391 HB2 ASN 51 1HB ASN 51 -17.841 -17.618 -13.894 392 HB3 ASN 51 2HB ASN 51 -17.629 -18.976 -12.793 393 HD21 ASN 51 2HD2 ASN 51 -18.779 -15.621 -12.790 394 HD22 ASN 51 1HD2 ASN 51 -20.123 -15.904 -11.741 395 HA PRO 52 HA PRO 52 -15.013 -17.963 -8.427 396 HB2 PRO 52 1HB PRO 52 -14.002 -15.623 -7.493 397 HB3 PRO 52 2HB PRO 52 -13.068 -16.741 -8.494 398 HG2 PRO 52 1HG PRO 52 -14.512 -14.242 -9.288 399 HG3 PRO 52 2HG PRO 52 -12.907 -14.812 -9.782 400 HD2 PRO 52 1HD PRO 52 -15.099 -15.090 -11.348 401 HD3 PRO 52 2HD PRO 52 -13.769 -16.266 -11.350 402 H THR 53 H THR 53 -15.764 -17.437 -6.287 403 HA THR 53 HA THR 53 -18.445 -16.721 -6.136 404 HB THR 53 HB THR 53 -17.651 -16.215 -3.598 405 HG1 THR 53 HG1 THR 53 -15.793 -18.182 -4.376 406 HG21 THR 53 3HG2 THR 53 -17.792 -18.806 -3.346 407 HG22 THR 53 1HG2 THR 53 -18.200 -18.768 -5.061 408 HG23 THR 53 2HG2 THR 53 -19.206 -17.907 -3.895 409 HA PRO 54 HA PRO 54 -18.649 -12.340 -5.978 410 HB2 PRO 54 1HB PRO 54 -20.562 -11.919 -4.097 411 HB3 PRO 54 2HB PRO 54 -20.921 -12.553 -5.707 412 HG2 PRO 54 1HG PRO 54 -20.607 -14.024 -3.119 413 HG3 PRO 54 2HG PRO 54 -21.818 -14.250 -4.394 414 HD2 PRO 54 1HD PRO 54 -19.657 -15.860 -4.137 415 HD3 PRO 54 2HD PRO 54 -20.385 -15.484 -5.711 416 H GLU 55 H GLU 55 -18.731 -13.726 -2.688 417 HA GLU 55 HA GLU 55 -17.703 -11.441 -1.399 418 HB2 GLU 55 1HB GLU 55 -17.566 -14.332 -0.524 419 HB3 GLU 55 2HB GLU 55 -17.297 -12.936 0.509 420 HG2 GLU 55 1HG GLU 55 -19.675 -12.238 -0.194 421 HG3 GLU 55 2HG GLU 55 -19.845 -13.917 -0.704 422 H GLU 56 H GLU 56 -16.182 -14.095 -3.058 423 HA GLU 56 HA GLU 56 -13.581 -13.808 -1.988 424 HB2 GLU 56 1HB GLU 56 -14.414 -15.797 -3.257 425 HB3 GLU 56 2HB GLU 56 -14.333 -14.837 -4.727 426 HG2 GLU 56 1HG GLU 56 -12.050 -14.861 -4.789 427 HG3 GLU 56 2HG GLU 56 -11.895 -15.058 -3.044 428 H LEU 57 H LEU 57 -15.262 -12.272 -4.663 429 HA LEU 57 HA LEU 57 -13.170 -11.093 -6.020 430 HG LEU 57 HG LEU 57 -15.877 -12.114 -6.746 431 HB2 LEU 57 1HB LEU 57 -15.899 -9.960 -5.428 432 HB3 LEU 57 2HB LEU 57 -14.784 -9.309 -6.627 433 HD11 LEU 57 1HD1 LEU 57 -17.486 -11.310 -8.366 434 HD12 LEU 57 2HD1 LEU 57 -16.909 -9.657 -8.156 435 HD13 LEU 57 3HD1 LEU 57 -17.716 -10.485 -6.824 436 HD21 LEU 57 3HD2 LEU 57 -14.315 -10.348 -8.599 437 HD22 LEU 57 1HD2 LEU 57 -15.286 -11.689 -9.208 438 HD23 LEU 57 2HD2 LEU 57 -13.967 -11.997 -8.078 439 H GLN 58 H GLN 58 -15.023 -9.656 -3.331 440 HA GLN 58 HA GLN 58 -13.390 -7.368 -3.089 441 HB2 GLN 58 1HB GLN 58 -15.541 -7.210 -2.145 442 HB3 GLN 58 2HB GLN 58 -15.354 -8.712 -1.251 443 HG2 GLN 58 1HG GLN 58 -15.269 -6.780 0.221 444 HG3 GLN 58 2HG GLN 58 -13.741 -7.660 0.224 445 HE21 GLN 58 2HE2 GLN 58 -15.185 -5.179 -1.865 446 HE22 GLN 58 1HE2 GLN 58 -13.842 -4.095 -1.794 447 H GLU 59 H GLU 59 -13.052 -10.613 -1.952 448 HA GLU 59 HA GLU 59 -11.368 -10.232 0.246 449 HB2 GLU 59 1HB GLU 59 -12.478 -12.393 -0.679 450 HB3 GLU 59 2HB GLU 59 -11.016 -12.536 -1.645 451 HG2 GLU 59 1HG GLU 59 -9.653 -12.741 0.268 452 HG3 GLU 59 2HG GLU 59 -10.956 -12.231 1.340 453 H MET 60 H MET 60 -10.525 -10.816 -3.166 454 HA MET 60 HA MET 60 -7.730 -10.529 -2.767 455 HB2 MET 60 1HB MET 60 -9.206 -10.100 -5.363 456 HB3 MET 60 2HB MET 60 -7.537 -10.607 -5.146 457 HG2 MET 60 1HG MET 60 -8.375 -12.702 -4.103 458 HG3 MET 60 2HG MET 60 -10.011 -12.195 -4.518 459 HE1 MET 60 3HE MET 60 -7.110 -13.925 -5.125 460 HE2 MET 60 1HE MET 60 -7.699 -14.974 -6.414 461 HE3 MET 60 2HE MET 60 -6.568 -13.673 -6.785 462 H ILE 61 H ILE 61 -10.320 -8.295 -3.488 463 HA ILE 61 HA ILE 61 -8.668 -6.119 -4.287 464 HB ILE 61 HB ILE 61 -11.502 -6.160 -3.248 465 HG12 ILE 61 1HG1 ILE 61 -10.362 -5.912 -6.040 466 HG13 ILE 61 2HG1 ILE 61 -11.203 -7.312 -5.384 467 HG21 ILE 61 1HG2 ILE 61 -11.664 -3.873 -4.172 468 HG22 ILE 61 2HG2 ILE 61 -10.546 -3.989 -2.814 469 HG23 ILE 61 3HG2 ILE 61 -9.924 -3.896 -4.461 470 HD11 ILE 61 3HD1 ILE 61 -12.991 -6.427 -6.379 471 HD12 ILE 61 1HD1 ILE 61 -13.033 -5.345 -4.987 472 HD13 ILE 61 2HD1 ILE 61 -12.262 -4.825 -6.485 473 H ASP 62 H ASP 62 -9.576 -7.446 -1.241 474 HA ASP 62 HA ASP 62 -9.254 -5.143 0.370 475 HB2 ASP 62 1HB ASP 62 -10.356 -7.352 1.013 476 HB3 ASP 62 2HB ASP 62 -8.727 -7.975 1.263 477 H GLU 63 H GLU 63 -7.033 -7.812 -0.411 478 HA GLU 63 HA GLU 63 -4.837 -6.682 1.006 479 HB2 GLU 63 1HB GLU 63 -5.401 -9.131 -0.205 480 HB3 GLU 63 2HB GLU 63 -4.063 -8.478 -1.140 481 HG2 GLU 63 1HG GLU 63 -4.051 -8.707 1.858 482 HG3 GLU 63 2HG GLU 63 -3.408 -9.938 0.772 483 H VAL 64 H VAL 64 -6.163 -6.221 -2.141 484 HA VAL 64 HA VAL 64 -3.768 -5.103 -3.295 485 HB VAL 64 HB VAL 64 -6.624 -5.106 -4.277 486 HG11 VAL 64 1HG1 VAL 64 -5.460 -3.195 -5.192 487 HG12 VAL 64 2HG1 VAL 64 -4.099 -4.213 -5.664 488 HG13 VAL 64 3HG1 VAL 64 -5.667 -4.418 -6.445 489 HG21 VAL 64 3HG2 VAL 64 -4.868 -7.196 -4.126 490 HG22 VAL 64 1HG2 VAL 64 -6.206 -7.072 -5.268 491 HG23 VAL 64 2HG2 VAL 64 -4.581 -6.588 -5.757 492 H ASP 65 H ASP 65 -6.916 -3.823 -2.237 493 HA ASP 65 HA ASP 65 -6.319 -1.115 -2.730 494 HB2 ASP 65 1HB ASP 65 -8.595 -2.297 -2.215 495 HB3 ASP 65 2HB ASP 65 -8.187 -1.949 -0.538 496 H GLU 66 H GLU 66 -4.623 -0.116 -1.854 497 HA GLU 66 HA GLU 66 -3.454 -0.826 0.625 498 HB2 GLU 66 1HB GLU 66 -3.141 1.744 -0.937 499 HB3 GLU 66 2HB GLU 66 -2.068 1.166 0.329 500 HG2 GLU 66 1HG GLU 66 -1.089 -0.386 -1.009 501 HG3 GLU 66 2HG GLU 66 -2.536 -0.618 -1.989 502 H ASP 67 H ASP 67 -5.763 1.650 -0.336 503 HA ASP 67 HA ASP 67 -5.885 2.655 2.410 504 HB2 ASP 67 1HB ASP 67 -7.449 4.371 1.356 505 HB3 ASP 67 2HB ASP 67 -5.764 4.429 0.846 506 H GLY 68 H GLY 68 -7.366 0.358 0.498 507 HA2 GLY 68 1HA GLY 68 -9.330 -0.825 0.654 508 HA3 GLY 68 2HA GLY 68 -9.233 -0.449 2.368 509 H SER 69 H SER 69 -9.761 1.672 -0.433 510 HA SER 69 HA SER 69 -11.911 3.010 0.925 511 HG SER 69 HG SER 69 -11.105 3.295 -2.879 512 HB2 SER 69 1HB SER 69 -12.086 4.257 -1.293 513 HB3 SER 69 2HB SER 69 -10.546 4.392 -0.446 514 H GLY 70 H GLY 70 -11.765 0.142 -0.687 515 HA2 GLY 70 1HA GLY 70 -13.752 -1.193 -0.896 516 HA3 GLY 70 2HA GLY 70 -14.642 0.268 -1.298 517 H THR 71 H THR 71 -12.023 0.791 -3.001 518 HA THR 71 HA THR 71 -12.584 -1.028 -5.215 519 HB THR 71 HB THR 71 -12.937 0.700 -6.836 520 HG1 THR 71 HG1 THR 71 -12.710 2.611 -4.735 521 HG21 THR 71 3HG2 THR 71 -14.627 1.200 -4.383 522 HG22 THR 71 1HG2 THR 71 -14.942 0.019 -5.654 523 HG23 THR 71 2HG2 THR 71 -15.025 1.743 -6.013 524 H VAL 72 H VAL 72 -11.004 -0.740 -7.015 525 HA VAL 72 HA VAL 72 -8.366 -0.093 -5.900 526 HB VAL 72 HB VAL 72 -9.275 -1.973 -8.046 527 HG11 VAL 72 1HG1 VAL 72 -7.591 -0.978 -9.277 528 HG12 VAL 72 2HG1 VAL 72 -6.620 -0.613 -7.849 529 HG13 VAL 72 3HG1 VAL 72 -6.724 -2.270 -8.446 530 HG21 VAL 72 3HG2 VAL 72 -7.994 -2.117 -5.413 531 HG22 VAL 72 1HG2 VAL 72 -8.997 -3.298 -6.256 532 HG23 VAL 72 2HG2 VAL 72 -7.279 -3.171 -6.632 533 H ASP 73 H ASP 73 -7.211 1.561 -6.656 534 HA ASP 73 HA ASP 73 -8.275 3.068 -8.928 535 HB2 ASP 73 1HB ASP 73 -6.922 4.920 -8.131 536 HB3 ASP 73 2HB ASP 73 -7.861 4.263 -6.794 537 H PHE 74 H PHE 74 -6.460 4.245 -10.215 538 HA PHE 74 HA PHE 74 -5.144 2.412 -11.794 539 HD1 PHE 74 HD1 PHE 74 -4.681 2.438 -13.718 540 HD2 PHE 74 HD2 PHE 74 -2.607 6.050 -12.841 541 HE1 PHE 74 HE1 PHE 74 -3.243 2.085 -15.683 542 HE2 PHE 74 HE2 PHE 74 -1.166 5.703 -14.805 543 HZ PHE 74 HZ PHE 74 -1.483 3.719 -16.229 544 HB2 PHE 74 1HB PHE 74 -5.571 4.856 -12.297 545 HB3 PHE 74 2HB PHE 74 -4.153 5.225 -11.320 546 H ASP 75 H ASP 75 -4.056 3.957 -8.845 547 HA ASP 75 HA ASP 75 -1.327 3.259 -9.024 548 HB2 ASP 75 1HB ASP 75 -3.105 3.866 -6.659 549 HB3 ASP 75 2HB ASP 75 -1.375 3.570 -6.508 550 H GLU 76 H GLU 76 -3.869 1.785 -6.994 551 HA GLU 76 HA GLU 76 -2.348 -0.465 -6.274 552 HB2 GLU 76 1HB GLU 76 -5.334 -0.026 -6.345 553 HB3 GLU 76 2HB GLU 76 -4.583 -1.465 -5.671 554 HG2 GLU 76 1HG GLU 76 -3.936 -0.415 -3.797 555 HG3 GLU 76 2HG GLU 76 -3.541 1.080 -4.644 556 H TRP 77 H TRP 77 -4.814 -0.035 -8.794 557 HA TRP 77 HA TRP 77 -4.959 -2.605 -9.772 558 HD1 TRP 77 HD1 TRP 77 -7.856 -2.508 -10.536 559 HE1 TRP 77 HE1 TRP 77 -8.656 -3.939 -12.520 560 HE3 TRP 77 HE3 TRP 77 -4.233 -1.288 -13.931 561 HZ2 TRP 77 HZ2 TRP 77 -7.857 -4.480 -15.173 562 HZ3 TRP 77 HZ3 TRP 77 -4.323 -2.306 -16.169 563 HH2 TRP 77 HH2 TRP 77 -6.098 -3.869 -16.775 564 HB2 TRP 77 1HB TRP 77 -6.149 -0.358 -10.496 565 HB3 TRP 77 2HB TRP 77 -4.891 -0.347 -11.729 566 H LEU 78 H LEU 78 -2.404 -0.270 -10.150 567 HA LEU 78 HA LEU 78 -1.085 -1.473 -12.344 568 HG LEU 78 HG LEU 78 -0.334 0.951 -13.092 569 HB2 LEU 78 1HB LEU 78 -0.734 0.785 -10.742 570 HB3 LEU 78 2HB LEU 78 0.724 -0.177 -10.506 571 HD11 LEU 78 1HD1 LEU 78 1.598 1.805 -11.130 572 HD12 LEU 78 2HD1 LEU 78 0.963 2.663 -12.534 573 HD13 LEU 78 3HD1 LEU 78 2.348 1.586 -12.712 574 HD21 LEU 78 3HD2 LEU 78 1.952 -0.959 -12.624 575 HD22 LEU 78 1HD2 LEU 78 1.660 -0.085 -14.128 576 HD23 LEU 78 2HD2 LEU 78 0.485 -1.268 -13.553 577 H VAL 79 H VAL 79 -0.847 -1.911 -8.853 578 HA VAL 79 HA VAL 79 1.430 -3.553 -8.811 579 HB VAL 79 HB VAL 79 -0.906 -3.677 -6.901 580 HG11 VAL 79 1HG1 VAL 79 0.295 -5.350 -6.034 581 HG12 VAL 79 2HG1 VAL 79 1.714 -4.950 -7.004 582 HG13 VAL 79 3HG1 VAL 79 1.412 -4.099 -5.489 583 HG21 VAL 79 3HG2 VAL 79 0.928 -2.159 -5.636 584 HG22 VAL 79 1HG2 VAL 79 1.203 -1.659 -7.305 585 HG23 VAL 79 2HG2 VAL 79 -0.401 -1.498 -6.589 586 H MET 80 H MET 80 -1.985 -4.292 -9.278 587 HA MET 80 HA MET 80 -1.983 -7.035 -9.014 588 HB2 MET 80 1HB MET 80 -3.825 -5.204 -9.781 589 HB3 MET 80 2HB MET 80 -3.510 -5.993 -11.320 590 HG2 MET 80 1HG MET 80 -4.483 -7.927 -10.690 591 HG3 MET 80 2HG MET 80 -3.959 -7.772 -9.014 592 HE1 MET 80 3HE MET 80 -5.620 -4.708 -10.662 593 HE2 MET 80 1HE MET 80 -6.318 -5.988 -11.654 594 HE3 MET 80 2HE MET 80 -7.345 -5.064 -10.558 595 H MET 81 H MET 81 -1.513 -5.247 -12.069 596 HA MET 81 HA MET 81 -0.878 -7.437 -13.661 597 HB2 MET 81 1HB MET 81 -1.173 -4.787 -14.116 598 HB3 MET 81 2HB MET 81 0.575 -4.928 -14.244 599 HG2 MET 81 1HG MET 81 -0.288 -5.176 -16.422 600 HG3 MET 81 2HG MET 81 0.207 -6.781 -15.890 601 HE1 MET 81 3HE MET 81 -3.840 -5.239 -15.101 602 HE2 MET 81 1HE MET 81 -2.475 -4.283 -15.679 603 HE3 MET 81 2HE MET 81 -3.658 -4.914 -16.825 604 H ALA 82 H ALA 82 1.139 -5.531 -11.512 605 HA ALA 82 HA ALA 82 3.661 -6.386 -12.347 606 HB1 ALA 82 1HB ALA 82 4.393 -5.158 -10.634 607 HB2 ALA 82 2HB ALA 82 2.698 -4.752 -10.356 608 HB3 ALA 82 3HB ALA 82 3.447 -6.074 -9.461 609 H ARG 83 H ARG 83 1.370 -7.861 -10.092 610 HA ARG 83 HA ARG 83 3.070 -9.934 -9.204 611 HE ARG 83 HE ARG 83 -2.440 -11.907 -9.492 612 HB2 ARG 83 1HB ARG 83 1.271 -10.687 -8.014 613 HB3 ARG 83 2HB ARG 83 0.706 -9.058 -8.358 614 HG2 ARG 83 1HG ARG 83 -0.303 -10.224 -10.494 615 HG3 ARG 83 2HG ARG 83 -0.201 -11.657 -9.468 616 HD2 ARG 83 1HD ARG 83 -1.315 -10.007 -7.713 617 HD3 ARG 83 2HD ARG 83 -1.884 -9.227 -9.188 618 HH11 ARG 83 1HH1 ARG 83 -3.292 -9.381 -7.253 619 HH12 ARG 83 2HH1 ARG 83 -4.842 -10.058 -6.877 620 HH21 ARG 83 1HH2 ARG 83 -4.477 -12.809 -9.004 621 HH22 ARG 83 2HH2 ARG 83 -5.515 -12.008 -7.873 622 H CYS 84 H CYS 84 1.226 -9.488 -12.089 623 HA CYS 84 HA CYS 84 1.000 -12.218 -12.843 624 HG CYS 84 HG CYS 84 -1.719 -9.514 -14.573 625 HB2 CYS 84 1HB CYS 84 0.998 -9.763 -14.611 626 HB3 CYS 84 2HB CYS 84 0.406 -11.360 -15.051 627 H MET 85 H MET 85 3.616 -10.063 -12.757 628 HA MET 85 HA MET 85 5.104 -11.120 -14.957 629 HB2 MET 85 1HB MET 85 5.881 -9.436 -12.577 630 HB3 MET 85 2HB MET 85 7.032 -9.930 -13.812 631 HG2 MET 85 1HG MET 85 5.035 -8.869 -15.322 632 HG3 MET 85 2HG MET 85 4.966 -7.863 -13.877 633 HE1 MET 85 3HE MET 85 6.540 -6.014 -13.324 634 HE2 MET 85 1HE MET 85 7.444 -5.270 -14.643 635 HE3 MET 85 2HE MET 85 5.719 -5.590 -14.827 636 H LYS 86 H LYS 86 5.265 -11.559 -11.431 637 HA LYS 86 HA LYS 86 7.330 -13.524 -11.561 638 HB2 LYS 86 1HB LYS 86 5.709 -12.237 -9.485 639 HB3 LYS 86 2HB LYS 86 6.094 -13.917 -9.133 640 HG2 LYS 86 1HG LYS 86 8.215 -13.439 -8.660 641 HG3 LYS 86 2HG LYS 86 8.394 -12.419 -10.090 642 HD2 LYS 86 1HD LYS 86 7.663 -10.516 -8.977 643 HD3 LYS 86 2HD LYS 86 6.842 -11.445 -7.721 644 HE2 LYS 86 1HE LYS 86 9.833 -11.414 -8.073 645 HE3 LYS 86 2HE LYS 86 8.972 -10.294 -7.019 646 HZ1 LYS 86 3HZ LYS 86 8.954 -11.834 -5.449 647 HZ2 LYS 86 1HZ LYS 86 9.799 -12.900 -6.454 648 HZ3 LYS 86 2HZ LYS 86 8.108 -12.900 -6.454 649 H ASP 87 H ASP 87 4.092 -13.634 -12.351 650 HA ASP 87 HA ASP 87 2.561 -15.297 -12.663 651 HB2 ASP 87 1HB ASP 87 4.418 -15.924 -14.244 652 HB3 ASP 87 2HB ASP 87 5.003 -17.043 -13.016 653 H ASP 88 H ASP 88 3.040 -14.826 -9.979 654 HA ASP 88 HA ASP 88 2.663 -15.711 -7.917 655 HB2 ASP 88 1HB ASP 88 0.785 -16.813 -9.206 656 HB3 ASP 88 2HB ASP 88 1.820 -18.231 -9.352 657 H SER 89 H SER 89 5.263 -15.770 -8.669 658 HA SER 89 HA SER 89 6.348 -18.425 -8.247 659 HG SER 89 HG SER 89 7.664 -18.384 -9.960 660 HB2 SER 89 1HB SER 89 7.480 -15.747 -8.949 661 HB3 SER 89 2HB SER 89 8.552 -16.962 -8.254 Start of MODEL 16 1 HA MET 1 HA MET 1 2.257 -2.259 -3.146 2 H1 MET 1 H MET 1 0.583 -3.114 -1.656 3 HB2 MET 1 1HB MET 1 3.345 -0.448 -1.737 4 HB3 MET 1 2HB MET 1 1.588 -0.500 -1.714 5 HG2 MET 1 1HG MET 1 1.589 -1.558 0.436 6 HG3 MET 1 2HG MET 1 3.343 -1.721 0.400 7 HE1 MET 1 3HE MET 1 4.562 1.222 2.147 8 HE2 MET 1 1HE MET 1 3.904 -0.297 2.754 9 HE3 MET 1 2HE MET 1 4.880 -0.284 1.286 10 H ASP 2 H ASP 2 3.202 -4.807 -2.388 11 HA ASP 2 HA ASP 2 5.682 -4.887 -1.145 12 HB2 ASP 2 1HB ASP 2 4.125 -6.772 -2.188 13 HB3 ASP 2 2HB ASP 2 5.242 -6.609 -3.540 14 H ASP 3 H ASP 3 7.790 -4.662 -1.824 15 HA ASP 3 HA ASP 3 8.257 -2.775 -3.908 16 HB2 ASP 3 1HB ASP 3 9.742 -2.610 -2.098 17 HB3 ASP 3 2HB ASP 3 10.037 -4.346 -2.064 18 H ILE 4 H ILE 4 8.283 -6.230 -3.710 19 HA ILE 4 HA ILE 4 9.930 -6.753 -5.961 20 HB ILE 4 HB ILE 4 9.508 -8.496 -4.333 21 HG12 ILE 4 1HG1 ILE 4 8.061 -9.678 -6.616 22 HG13 ILE 4 2HG1 ILE 4 9.548 -8.836 -7.037 23 HG21 ILE 4 1HG2 ILE 4 6.899 -7.592 -4.384 24 HG22 ILE 4 2HG2 ILE 4 6.806 -9.183 -5.137 25 HG23 ILE 4 3HG2 ILE 4 7.496 -9.011 -3.524 26 HD11 ILE 4 3HD1 ILE 4 10.375 -10.313 -4.928 27 HD12 ILE 4 1HD1 ILE 4 9.146 -11.369 -5.624 28 HD13 ILE 4 2HD1 ILE 4 10.497 -10.815 -6.615 29 H TYR 5 H TYR 5 6.513 -6.093 -5.555 30 HA TYR 5 HA TYR 5 5.887 -6.753 -8.303 31 HD1 TYR 5 HD2 TYR 5 4.876 -8.472 -8.292 32 HD2 TYR 5 HD1 TYR 5 3.054 -7.053 -4.719 33 HE1 TYR 5 HE2 TYR 5 4.334 -10.785 -7.656 34 HE2 TYR 5 HE1 TYR 5 2.508 -9.362 -4.072 35 HH TYR 5 HH TYR 5 3.864 -11.926 -5.093 36 HB2 TYR 5 1HB TYR 5 4.244 -5.560 -6.065 37 HB3 TYR 5 2HB TYR 5 3.613 -5.859 -7.681 38 H LYS 6 H LYS 6 6.162 -3.838 -6.309 39 HA LYS 6 HA LYS 6 5.406 -1.979 -8.273 40 HB2 LYS 6 1HB LYS 6 6.130 -0.329 -6.803 41 HB3 LYS 6 2HB LYS 6 5.769 -1.669 -5.723 42 HG2 LYS 6 1HG LYS 6 7.789 -1.110 -4.884 43 HG3 LYS 6 2HG LYS 6 8.344 -2.189 -6.166 44 HD2 LYS 6 1HD LYS 6 9.391 -0.523 -7.215 45 HD3 LYS 6 2HD LYS 6 7.956 0.502 -7.150 46 HE2 LYS 6 1HE LYS 6 8.524 1.188 -4.889 47 HE3 LYS 6 2HE LYS 6 9.922 0.113 -4.894 48 HZ1 LYS 6 3HZ LYS 6 9.510 2.551 -6.530 49 HZ2 LYS 6 1HZ LYS 6 10.743 1.434 -6.838 50 HZ3 LYS 6 2HZ LYS 6 10.709 2.272 -5.369 51 H ALA 7 H ALA 7 8.364 -3.707 -7.746 52 HA ALA 7 HA ALA 7 10.117 -2.013 -9.177 53 HB1 ALA 7 1HB ALA 7 10.234 -4.954 -8.550 54 HB2 ALA 7 2HB ALA 7 11.533 -4.081 -9.363 55 HB3 ALA 7 3HB ALA 7 11.062 -3.635 -7.723 56 H ALA 8 H ALA 8 8.624 -5.097 -10.184 57 HA ALA 8 HA ALA 8 9.403 -5.112 -12.821 58 HB1 ALA 8 1HB ALA 8 8.155 -6.949 -12.900 59 HB2 ALA 8 2HB ALA 8 7.667 -6.603 -11.240 60 HB3 ALA 8 3HB ALA 8 6.678 -6.037 -12.586 61 H VAL 9 H VAL 9 6.811 -3.286 -11.319 62 HA VAL 9 HA VAL 9 5.487 -2.463 -13.668 63 HB VAL 9 HB VAL 9 5.669 -0.860 -11.120 64 HG11 VAL 9 1HG1 VAL 9 4.015 -0.785 -13.548 65 HG12 VAL 9 2HG1 VAL 9 3.129 -0.631 -12.030 66 HG13 VAL 9 3HG1 VAL 9 4.427 0.500 -12.413 67 HG21 VAL 9 3HG2 VAL 9 3.322 -2.373 -11.076 68 HG22 VAL 9 1HG2 VAL 9 4.597 -3.503 -11.531 69 HG23 VAL 9 2HG2 VAL 9 4.736 -2.569 -10.041 70 H GLU 10 H GLU 10 7.941 -0.806 -11.685 71 HA GLU 10 HA GLU 10 8.176 1.435 -13.397 72 HB2 GLU 10 1HB GLU 10 9.541 0.397 -11.017 73 HB3 GLU 10 2HB GLU 10 10.593 1.299 -12.099 74 HG2 GLU 10 1HG GLU 10 8.246 2.809 -11.872 75 HG3 GLU 10 2HG GLU 10 8.638 2.261 -10.243 76 H GLN 11 H GLN 11 9.346 -1.760 -13.617 77 HA GLN 11 HA GLN 11 11.595 -1.113 -15.322 78 HB2 GLN 11 1HB GLN 11 10.379 -3.812 -14.715 79 HB3 GLN 11 2HB GLN 11 11.946 -3.512 -15.454 80 HG2 GLN 11 1HG GLN 11 11.898 -2.107 -13.009 81 HG3 GLN 11 2HG GLN 11 11.271 -3.725 -12.698 82 HE21 GLN 11 2HE2 GLN 11 12.608 -5.464 -13.922 83 HE22 GLN 11 1HE2 GLN 11 14.319 -5.334 -13.726 84 H LEU 12 H LEU 12 8.311 -1.286 -15.742 85 HA LEU 12 HA LEU 12 8.105 -2.629 -18.227 86 HG LEU 12 HG LEU 12 6.427 -2.518 -15.612 87 HB2 LEU 12 1HB LEU 12 6.342 -0.493 -17.037 88 HB3 LEU 12 2HB LEU 12 5.925 -1.513 -18.413 89 HD11 LEU 12 1HD1 LEU 12 3.936 -2.949 -15.700 90 HD12 LEU 12 2HD1 LEU 12 3.891 -1.857 -17.084 91 HD13 LEU 12 3HD1 LEU 12 4.431 -1.267 -15.512 92 HD21 LEU 12 3HD2 LEU 12 5.376 -3.882 -18.088 93 HD22 LEU 12 1HD2 LEU 12 5.433 -4.594 -16.476 94 HD23 LEU 12 2HD2 LEU 12 6.931 -4.175 -17.307 95 H THR 13 H THR 13 7.462 -1.557 -20.278 96 HA THR 13 HA THR 13 9.277 0.668 -20.815 97 HB THR 13 HB THR 13 9.505 -1.204 -22.319 98 HG1 THR 13 HG1 THR 13 9.854 0.519 -23.555 99 HG21 THR 13 3HG2 THR 13 7.026 -1.062 -23.756 100 HG22 THR 13 1HG2 THR 13 6.708 -1.399 -22.055 101 HG23 THR 13 2HG2 THR 13 7.780 -2.452 -22.976 102 H GLU 14 H GLU 14 8.551 2.397 -22.293 103 HA GLU 14 HA GLU 14 6.440 3.851 -21.318 104 HB2 GLU 14 1HB GLU 14 7.510 3.908 -24.145 105 HB3 GLU 14 2HB GLU 14 6.548 5.173 -23.392 106 HG2 GLU 14 1HG GLU 14 9.181 4.277 -22.268 107 HG3 GLU 14 2HG GLU 14 9.053 5.532 -23.499 108 H GLU 15 H GLU 15 6.424 1.542 -23.995 109 HA GLU 15 HA GLU 15 3.756 2.009 -24.806 110 HB2 GLU 15 1HB GLU 15 5.648 -0.302 -25.181 111 HB3 GLU 15 2HB GLU 15 4.004 -0.345 -25.804 112 HG2 GLU 15 1HG GLU 15 4.562 1.832 -26.988 113 HG3 GLU 15 2HG GLU 15 6.243 1.489 -26.585 114 H GLN 16 H GLN 16 5.209 -0.276 -22.534 115 HA GLN 16 HA GLN 16 2.946 -1.818 -21.989 116 HB2 GLN 16 1HB GLN 16 5.465 -1.193 -20.518 117 HB3 GLN 16 2HB GLN 16 4.165 -1.990 -19.642 118 HG2 GLN 16 1HG GLN 16 5.068 -3.078 -22.268 119 HG3 GLN 16 2HG GLN 16 6.007 -3.395 -20.811 120 HE21 GLN 16 2HE2 GLN 16 4.351 -5.122 -22.610 121 HE22 GLN 16 1HE2 GLN 16 3.272 -5.952 -21.547 122 H LYS 17 H LYS 17 4.067 1.209 -20.546 123 HA LYS 17 HA LYS 17 2.080 1.345 -18.532 124 HB2 LYS 17 1HB LYS 17 4.200 3.054 -19.574 125 HB3 LYS 17 2HB LYS 17 2.777 3.970 -19.095 126 HG2 LYS 17 1HG LYS 17 4.516 3.684 -17.321 127 HG3 LYS 17 2HG LYS 17 2.892 3.159 -16.872 128 HD2 LYS 17 1HD LYS 17 3.457 0.891 -17.041 129 HD3 LYS 17 2HD LYS 17 4.913 1.234 -17.980 130 HE2 LYS 17 1HE LYS 17 4.731 2.380 -15.248 131 HE3 LYS 17 2HE LYS 17 4.991 0.641 -15.387 132 HZ1 LYS 17 3HZ LYS 17 6.727 1.835 -17.179 133 HZ2 LYS 17 1HZ LYS 17 7.122 1.080 -15.717 134 HZ3 LYS 17 2HZ LYS 17 6.840 2.747 -15.759 135 H ASN 18 H ASN 18 2.277 2.634 -21.821 136 HA ASN 18 HA ASN 18 -0.187 4.059 -21.682 137 HB2 ASN 18 1HB ASN 18 1.674 3.258 -23.893 138 HB3 ASN 18 2HB ASN 18 0.083 3.905 -24.282 139 HD21 ASN 18 2HD2 ASN 18 3.187 4.732 -23.991 140 HD22 ASN 18 1HD2 ASN 18 3.032 6.392 -23.539 141 H GLU 19 H GLU 19 0.690 0.779 -22.357 142 HA GLU 19 HA GLU 19 -1.628 0.015 -23.794 143 HB2 GLU 19 1HB GLU 19 0.628 -1.354 -22.472 144 HB3 GLU 19 2HB GLU 19 -0.852 -2.294 -22.594 145 HG2 GLU 19 1HG GLU 19 -0.827 -1.601 -25.073 146 HG3 GLU 19 2HG GLU 19 0.862 -1.191 -24.780 147 H PHE 20 H PHE 20 -0.732 -0.593 -20.394 148 HA PHE 20 HA PHE 20 -3.277 -1.566 -19.650 149 HD1 PHE 20 HD2 PHE 20 -3.227 0.253 -16.353 150 HD2 PHE 20 HD1 PHE 20 0.630 0.032 -18.140 151 HE1 PHE 20 HE2 PHE 20 -2.496 2.177 -15.005 152 HE2 PHE 20 HE1 PHE 20 1.367 1.956 -16.794 153 HZ PHE 20 HZ PHE 20 -0.197 3.032 -15.225 154 HB2 PHE 20 1HB PHE 20 -2.408 -1.791 -17.531 155 HB3 PHE 20 2HB PHE 20 -0.917 -1.709 -18.464 156 H LYS 21 H LYS 21 -1.851 1.638 -19.669 157 HA LYS 21 HA LYS 21 -3.706 2.985 -18.076 158 HB2 LYS 21 1HB LYS 21 -1.561 3.941 -18.886 159 HB3 LYS 21 2HB LYS 21 -2.252 4.062 -20.499 160 HG2 LYS 21 1HG LYS 21 -4.011 5.556 -19.549 161 HG3 LYS 21 2HG LYS 21 -3.119 5.539 -18.025 162 HD2 LYS 21 1HD LYS 21 -2.356 7.473 -19.072 163 HD3 LYS 21 2HD LYS 21 -1.105 6.287 -19.453 164 HE2 LYS 21 1HE LYS 21 -1.534 7.406 -21.475 165 HE3 LYS 21 2HE LYS 21 -2.380 5.865 -21.611 166 HZ1 LYS 21 3HZ LYS 21 -3.659 7.873 -22.341 167 HZ2 LYS 21 1HZ LYS 21 -3.712 8.359 -20.721 168 HZ3 LYS 21 2HZ LYS 21 -4.440 6.907 -21.193 169 H ALA 22 H ALA 22 -3.813 2.087 -21.476 170 HA ALA 22 HA ALA 22 -6.235 3.545 -22.003 171 HB1 ALA 22 1HB ALA 22 -4.276 2.659 -23.607 172 HB2 ALA 22 2HB ALA 22 -5.445 1.354 -23.817 173 HB3 ALA 22 3HB ALA 22 -5.907 3.018 -24.176 174 H ALA 23 H ALA 23 -5.375 0.280 -21.082 175 HA ALA 23 HA ALA 23 -7.900 -0.904 -21.637 176 HB1 ALA 23 1HB ALA 23 -6.471 -2.224 -19.505 177 HB2 ALA 23 2HB ALA 23 -6.829 -2.787 -21.138 178 HB3 ALA 23 3HB ALA 23 -5.392 -1.811 -20.838 179 H PHE 24 H PHE 24 -6.518 0.730 -18.855 180 HA PHE 24 HA PHE 24 -8.356 -0.023 -16.899 181 HD1 PHE 24 HD2 PHE 24 -7.512 0.490 -14.260 182 HD2 PHE 24 HD1 PHE 24 -8.283 4.185 -16.228 183 HE1 PHE 24 HE2 PHE 24 -8.566 1.357 -12.213 184 HE2 PHE 24 HE1 PHE 24 -9.337 5.058 -14.183 185 HZ PHE 24 HZ PHE 24 -9.481 3.643 -12.173 186 HB2 PHE 24 1HB PHE 24 -6.316 1.175 -16.339 187 HB3 PHE 24 2HB PHE 24 -6.870 2.591 -17.228 188 H ASP 25 H ASP 25 -8.630 2.248 -19.520 189 HA ASP 25 HA ASP 25 -10.864 3.699 -18.563 190 HB2 ASP 25 1HB ASP 25 -9.495 4.575 -20.366 191 HB3 ASP 25 2HB ASP 25 -9.906 3.200 -21.388 192 H ILE 26 H ILE 26 -10.568 0.837 -20.631 193 HA ILE 26 HA ILE 26 -13.325 0.559 -21.177 194 HB ILE 26 HB ILE 26 -11.122 -1.505 -21.184 195 HG12 ILE 26 1HG1 ILE 26 -12.036 -0.986 -23.778 196 HG13 ILE 26 2HG1 ILE 26 -11.942 0.594 -23.009 197 HG21 ILE 26 1HG2 ILE 26 -12.740 -2.764 -22.675 198 HG22 ILE 26 2HG2 ILE 26 -13.120 -2.732 -20.954 199 HG23 ILE 26 3HG2 ILE 26 -13.989 -1.677 -22.068 200 HD11 ILE 26 3HD1 ILE 26 -9.621 -1.158 -22.590 201 HD12 ILE 26 1HD1 ILE 26 -9.883 -0.607 -24.244 202 HD13 ILE 26 2HD1 ILE 26 -9.700 0.568 -22.941 203 H PHE 27 H PHE 27 -11.358 -0.319 -18.460 204 HA PHE 27 HA PHE 27 -13.217 -2.213 -17.362 205 HD1 PHE 27 HD2 PHE 27 -10.633 -2.497 -18.750 206 HD2 PHE 27 HD1 PHE 27 -10.888 -3.811 -14.710 207 HE1 PHE 27 HE2 PHE 27 -9.638 -4.653 -19.392 208 HE2 PHE 27 HE1 PHE 27 -9.892 -5.969 -15.345 209 HZ PHE 27 HZ PHE 27 -9.267 -6.393 -17.690 210 HB2 PHE 27 1HB PHE 27 -10.681 -0.929 -16.419 211 HB3 PHE 27 2HB PHE 27 -11.717 -1.750 -15.256 212 H VAL 28 H VAL 28 -12.379 1.173 -16.757 213 HA VAL 28 HA VAL 28 -14.386 1.420 -14.682 214 HB VAL 28 HB VAL 28 -13.667 3.708 -14.457 215 HG11 VAL 28 1HG1 VAL 28 -11.795 3.135 -13.381 216 HG12 VAL 28 2HG1 VAL 28 -12.064 1.513 -14.022 217 HG13 VAL 28 3HG1 VAL 28 -10.994 2.631 -14.869 218 HG21 VAL 28 3HG2 VAL 28 -13.439 4.385 -16.735 219 HG22 VAL 28 1HG2 VAL 28 -11.872 4.604 -15.957 220 HG23 VAL 28 2HG2 VAL 28 -12.146 3.219 -17.013 221 H LEU 29 H LEU 29 -14.654 1.162 -17.881 222 HA LEU 29 HA LEU 29 -16.116 3.348 -18.783 223 HG LEU 29 HG LEU 29 -14.585 2.326 -20.792 224 HB2 LEU 29 1HB LEU 29 -15.745 0.559 -19.578 225 HB3 LEU 29 2HB LEU 29 -17.301 1.233 -20.059 226 HD11 LEU 29 1HD1 LEU 29 -16.678 1.039 -22.535 227 HD12 LEU 29 2HD1 LEU 29 -15.249 0.211 -21.919 228 HD13 LEU 29 3HD1 LEU 29 -15.070 1.581 -23.015 229 HD21 LEU 29 3HD2 LEU 29 -15.928 4.211 -20.719 230 HD22 LEU 29 1HD2 LEU 29 -17.372 3.329 -21.216 231 HD23 LEU 29 2HD2 LEU 29 -16.106 3.682 -22.393 232 H GLY 30 H GLY 30 -17.024 0.785 -16.634 233 HA2 GLY 30 1HA GLY 30 -19.868 1.299 -16.892 234 HA3 GLY 30 2HA GLY 30 -19.108 0.153 -15.798 235 H ALA 31 H ALA 31 -17.250 2.217 -14.774 236 HA ALA 31 HA ALA 31 -18.912 3.173 -12.653 237 HB1 ALA 31 1HB ALA 31 -16.005 3.563 -13.314 238 HB2 ALA 31 2HB ALA 31 -16.775 4.307 -11.912 239 HB3 ALA 31 3HB ALA 31 -16.715 2.551 -12.056 240 H GLU 32 H GLU 32 -18.806 5.501 -11.946 241 HA GLU 32 HA GLU 32 -19.259 7.227 -14.283 242 HB2 GLU 32 1HB GLU 32 -20.317 7.414 -11.459 243 HB3 GLU 32 2HB GLU 32 -20.585 8.635 -12.696 244 HG2 GLU 32 1HG GLU 32 -21.566 5.796 -12.679 245 HG3 GLU 32 2HG GLU 32 -22.525 7.272 -12.582 246 H ASP 33 H ASP 33 -17.373 6.817 -11.416 247 HA ASP 33 HA ASP 33 -16.277 9.523 -11.617 248 HB2 ASP 33 1HB ASP 33 -15.869 7.355 -9.547 249 HB3 ASP 33 2HB ASP 33 -15.100 8.939 -9.498 250 H GLY 34 H GLY 34 -15.421 6.160 -12.083 251 HA2 GLY 34 1HA GLY 34 -13.735 5.781 -13.852 252 HA3 GLY 34 2HA GLY 34 -12.787 7.049 -13.090 253 H CYS 35 H CYS 35 -14.484 4.169 -11.851 254 HA CYS 35 HA CYS 35 -11.932 3.066 -10.968 255 HG CYS 35 HG CYS 35 -15.711 3.233 -9.513 256 HB2 CYS 35 1HB CYS 35 -12.958 2.614 -8.686 257 HB3 CYS 35 2HB CYS 35 -12.509 4.283 -9.015 258 H ILE 36 H ILE 36 -12.414 0.865 -9.809 259 HA ILE 36 HA ILE 36 -14.556 -0.507 -11.297 260 HB ILE 36 HB ILE 36 -11.798 -1.583 -10.695 261 HG12 ILE 36 1HG1 ILE 36 -12.652 -1.550 -13.474 262 HG13 ILE 36 2HG1 ILE 36 -12.646 0.066 -12.777 263 HG21 ILE 36 1HG2 ILE 36 -14.257 -2.845 -11.858 264 HG22 ILE 36 2HG2 ILE 36 -12.645 -3.459 -12.223 265 HG23 ILE 36 3HG2 ILE 36 -13.221 -3.429 -10.556 266 HD11 ILE 36 3HD1 ILE 36 -10.486 0.110 -13.273 267 HD12 ILE 36 1HD1 ILE 36 -10.259 -1.002 -11.923 268 HD13 ILE 36 2HD1 ILE 36 -10.435 -1.629 -13.563 269 H SER 37 H SER 37 -16.016 -1.354 -9.983 270 HA SER 37 HA SER 37 -15.374 -1.806 -7.183 271 HG SER 37 HG SER 37 -19.087 -2.492 -7.153 272 HB2 SER 37 1HB SER 37 -17.440 -0.804 -7.239 273 HB3 SER 37 2HB SER 37 -17.876 -1.544 -8.780 274 H THR 38 H THR 38 -15.618 -3.776 -6.114 275 HA THR 38 HA THR 38 -14.705 -6.053 -7.409 276 HB THR 38 HB THR 38 -14.470 -5.986 -5.054 277 HG1 THR 38 HG1 THR 38 -16.565 -7.867 -5.307 278 HG21 THR 38 3HG2 THR 38 -15.986 -4.891 -3.838 279 HG22 THR 38 1HG2 THR 38 -17.025 -6.310 -3.958 280 HG23 THR 38 2HG2 THR 38 -17.180 -5.001 -5.131 281 H LYS 39 H LYS 39 -17.917 -4.794 -7.155 282 HA LYS 39 HA LYS 39 -19.348 -7.183 -7.675 283 HB2 LYS 39 1HB LYS 39 -20.409 -5.177 -6.732 284 HB3 LYS 39 2HB LYS 39 -20.120 -4.313 -8.237 285 HG2 LYS 39 1HG LYS 39 -22.312 -4.928 -8.484 286 HG3 LYS 39 2HG LYS 39 -21.492 -6.267 -9.290 287 HD2 LYS 39 1HD LYS 39 -22.985 -7.393 -7.943 288 HD3 LYS 39 2HD LYS 39 -21.552 -7.352 -6.912 289 HE2 LYS 39 1HE LYS 39 -22.431 -5.658 -5.563 290 HE3 LYS 39 2HE LYS 39 -23.636 -5.200 -6.765 291 HZ1 LYS 39 3HZ LYS 39 -25.035 -6.460 -5.611 292 HZ2 LYS 39 1HZ LYS 39 -23.798 -7.159 -4.692 293 HZ3 LYS 39 2HZ LYS 39 -24.202 -7.809 -6.200 294 H GLU 40 H GLU 40 -18.365 -4.503 -9.808 295 HA GLU 40 HA GLU 40 -19.238 -5.882 -12.170 296 HB2 GLU 40 1HB GLU 40 -17.391 -3.503 -12.089 297 HB3 GLU 40 2HB GLU 40 -18.485 -3.984 -13.379 298 HG2 GLU 40 1HG GLU 40 -19.353 -3.031 -10.660 299 HG3 GLU 40 2HG GLU 40 -19.266 -2.024 -12.104 300 H LEU 41 H LEU 41 -16.250 -5.530 -10.409 301 HA LEU 41 HA LEU 41 -14.435 -6.313 -12.393 302 HG LEU 41 HG LEU 41 -12.570 -8.099 -10.176 303 HB2 LEU 41 1HB LEU 41 -13.737 -5.338 -10.280 304 HB3 LEU 41 2HB LEU 41 -14.331 -6.752 -9.412 305 HD11 LEU 41 1HD1 LEU 41 -12.206 -7.877 -12.389 306 HD12 LEU 41 2HD1 LEU 41 -10.902 -6.820 -11.848 307 HD13 LEU 41 3HD1 LEU 41 -12.440 -6.129 -12.365 308 HD21 LEU 41 3HD2 LEU 41 -10.512 -6.703 -9.708 309 HD22 LEU 41 1HD2 LEU 41 -11.759 -6.693 -8.460 310 HD23 LEU 41 2HD2 LEU 41 -11.598 -5.320 -9.556 311 H GLY 42 H GLY 42 -16.429 -8.205 -10.181 312 HA2 GLY 42 1HA GLY 42 -15.288 -10.724 -10.642 313 HA3 GLY 42 2HA GLY 42 -16.945 -10.440 -10.132 314 H LYS 43 H LYS 43 -17.656 -8.903 -12.489 315 HA LYS 43 HA LYS 43 -18.559 -10.998 -14.137 316 HB2 LYS 43 1HB LYS 43 -18.533 -8.015 -14.340 317 HB3 LYS 43 2HB LYS 43 -18.954 -8.958 -15.763 318 HG2 LYS 43 1HG LYS 43 -21.006 -8.512 -14.795 319 HG3 LYS 43 2HG LYS 43 -20.639 -10.139 -14.218 320 HD2 LYS 43 1HD LYS 43 -19.682 -9.055 -12.147 321 HD3 LYS 43 2HD LYS 43 -20.386 -7.540 -12.717 322 HE2 LYS 43 1HE LYS 43 -22.040 -10.027 -12.422 323 HE3 LYS 43 2HE LYS 43 -21.736 -8.958 -11.053 324 HZ1 LYS 43 3HZ LYS 43 -23.608 -8.660 -13.136 325 HZ2 LYS 43 1HZ LYS 43 -22.531 -7.355 -13.177 326 HZ3 LYS 43 2HZ LYS 43 -23.392 -7.697 -11.762 327 H VAL 44 H VAL 44 -16.050 -8.533 -14.710 328 HA VAL 44 HA VAL 44 -15.229 -9.303 -17.228 329 HB VAL 44 HB VAL 44 -13.476 -8.293 -14.984 330 HG11 VAL 44 1HG1 VAL 44 -12.508 -7.382 -17.431 331 HG12 VAL 44 2HG1 VAL 44 -11.785 -8.615 -16.395 332 HG13 VAL 44 3HG1 VAL 44 -12.880 -9.085 -17.696 333 HG21 VAL 44 3HG2 VAL 44 -15.046 -6.624 -15.231 334 HG22 VAL 44 1HG2 VAL 44 -13.826 -6.126 -16.404 335 HG23 VAL 44 2HG2 VAL 44 -15.286 -6.955 -16.947 336 H MET 45 H MET 45 -14.545 -10.791 -14.139 337 HA MET 45 HA MET 45 -12.351 -12.356 -14.727 338 HB2 MET 45 1HB MET 45 -14.717 -13.303 -13.109 339 HB3 MET 45 2HB MET 45 -13.041 -13.809 -12.946 340 HG2 MET 45 1HG MET 45 -14.210 -11.125 -12.266 341 HG3 MET 45 2HG MET 45 -13.568 -12.331 -11.153 342 HE1 MET 45 3HE MET 45 -10.915 -13.242 -11.626 343 HE2 MET 45 1HE MET 45 -11.105 -13.114 -13.375 344 HE3 MET 45 2HE MET 45 -9.770 -12.288 -12.570 345 H ARG 46 H ARG 46 -15.705 -12.817 -15.645 346 HA ARG 46 HA ARG 46 -15.576 -15.478 -16.500 347 HE ARG 46 HE ARG 46 -21.015 -14.483 -15.281 348 HB2 ARG 46 1HB ARG 46 -17.283 -13.174 -17.447 349 HB3 ARG 46 2HB ARG 46 -17.509 -14.831 -17.991 350 HG2 ARG 46 1HG ARG 46 -18.397 -15.509 -16.015 351 HG3 ARG 46 2HG ARG 46 -17.455 -14.354 -15.069 352 HD2 ARG 46 1HD ARG 46 -19.249 -13.049 -14.966 353 HD3 ARG 46 2HD ARG 46 -19.142 -12.827 -16.711 354 HH11 ARG 46 1HH1 ARG 46 -19.437 -13.888 -18.327 355 HH12 ARG 46 2HH1 ARG 46 -20.671 -14.661 -19.266 356 HH21 ARG 46 1HH2 ARG 46 -22.646 -15.504 -16.506 357 HH22 ARG 46 2HH2 ARG 46 -22.496 -15.579 -18.229 358 H MET 47 H MET 47 -14.975 -12.460 -18.269 359 HA MET 47 HA MET 47 -14.472 -13.657 -20.772 360 HB2 MET 47 1HB MET 47 -13.257 -11.073 -19.802 361 HB3 MET 47 2HB MET 47 -13.627 -11.536 -21.457 362 HG2 MET 47 1HG MET 47 -16.055 -11.585 -20.760 363 HG3 MET 47 2HG MET 47 -15.542 -10.805 -19.266 364 HE1 MET 47 3HE MET 47 -17.269 -7.901 -21.192 365 HE2 MET 47 1HE MET 47 -17.690 -9.517 -20.624 366 HE3 MET 47 2HE MET 47 -16.870 -8.390 -19.544 367 H LEU 48 H LEU 48 -12.471 -13.101 -17.965 368 HA LEU 48 HA LEU 48 -9.979 -13.597 -19.279 369 HG LEU 48 HG LEU 48 -11.020 -11.432 -17.170 370 HB2 LEU 48 1HB LEU 48 -10.695 -13.697 -16.352 371 HB3 LEU 48 2HB LEU 48 -9.059 -13.719 -17.007 372 HD11 LEU 48 1HD1 LEU 48 -10.240 -11.360 -15.006 373 HD12 LEU 48 2HD1 LEU 48 -9.043 -10.374 -15.845 374 HD13 LEU 48 3HD1 LEU 48 -8.673 -12.048 -15.433 375 HD21 LEU 48 3HD2 LEU 48 -8.456 -10.569 -17.840 376 HD22 LEU 48 1HD2 LEU 48 -9.838 -10.743 -18.920 377 HD23 LEU 48 2HD2 LEU 48 -8.688 -12.067 -18.742 378 H GLY 49 H GLY 49 -12.452 -15.563 -17.866 379 HA2 GLY 49 1HA GLY 49 -12.551 -17.892 -18.539 380 HA3 GLY 49 2HA GLY 49 -10.798 -17.942 -18.424 381 H GLN 50 H GLN 50 -12.324 -16.211 -15.919 382 HA GLN 50 HA GLN 50 -12.298 -18.564 -14.159 383 HB2 GLN 50 1HB GLN 50 -11.028 -15.883 -13.588 384 HB3 GLN 50 2HB GLN 50 -11.266 -17.142 -12.384 385 HG2 GLN 50 1HG GLN 50 -9.610 -18.459 -13.222 386 HG3 GLN 50 2HG GLN 50 -9.810 -17.855 -14.867 387 HE21 GLN 50 2HE2 GLN 50 -8.538 -17.090 -11.685 388 HE22 GLN 50 1HE2 GLN 50 -7.359 -15.949 -12.225 389 H ASN 51 H ASN 51 -13.574 -18.337 -12.222 390 HA ASN 51 HA ASN 51 -15.472 -16.113 -12.190 391 HB2 ASN 51 1HB ASN 51 -16.505 -18.924 -11.923 392 HB3 ASN 51 2HB ASN 51 -17.400 -17.447 -12.271 393 HD21 ASN 51 2HD2 ASN 51 -17.843 -16.981 -14.315 394 HD22 ASN 51 1HD2 ASN 51 -17.172 -17.780 -15.692 395 HA PRO 52 HA PRO 52 -13.877 -17.424 -8.002 396 HB2 PRO 52 1HB PRO 52 -13.055 -14.946 -7.259 397 HB3 PRO 52 2HB PRO 52 -12.027 -16.071 -8.154 398 HG2 PRO 52 1HG PRO 52 -13.638 -13.760 -9.168 399 HG3 PRO 52 2HG PRO 52 -11.989 -14.249 -9.599 400 HD2 PRO 52 1HD PRO 52 -14.131 -14.818 -11.155 401 HD3 PRO 52 2HD PRO 52 -12.719 -15.888 -11.046 402 H THR 53 H THR 53 -14.756 -16.874 -5.949 403 HA THR 53 HA THR 53 -17.476 -16.190 -5.962 404 HB THR 53 HB THR 53 -16.850 -15.784 -3.368 405 HG1 THR 53 HG1 THR 53 -15.086 -17.222 -2.899 406 HG21 THR 53 3HG2 THR 53 -17.013 -18.460 -4.759 407 HG22 THR 53 1HG2 THR 53 -18.375 -17.490 -4.200 408 HG23 THR 53 2HG2 THR 53 -17.253 -18.191 -3.033 409 HA PRO 54 HA PRO 54 -17.639 -11.814 -5.670 410 HB2 PRO 54 1HB PRO 54 -19.654 -11.428 -3.892 411 HB3 PRO 54 2HB PRO 54 -19.925 -12.005 -5.541 412 HG2 PRO 54 1HG PRO 54 -19.781 -13.562 -2.988 413 HG3 PRO 54 2HG PRO 54 -20.918 -13.730 -4.339 414 HD2 PRO 54 1HD PRO 54 -18.794 -15.378 -4.008 415 HD3 PRO 54 2HD PRO 54 -19.424 -14.941 -5.610 416 H GLU 55 H GLU 55 -17.928 -13.306 -2.440 417 HA GLU 55 HA GLU 55 -16.954 -11.078 -1.016 418 HB2 GLU 55 1HB GLU 55 -17.242 -13.996 -0.374 419 HB3 GLU 55 2HB GLU 55 -16.439 -12.913 0.754 420 HG2 GLU 55 1HG GLU 55 -18.893 -11.725 -0.070 421 HG3 GLU 55 2HG GLU 55 -19.199 -13.384 0.443 422 H GLU 56 H GLU 56 -15.362 -13.749 -2.608 423 HA GLU 56 HA GLU 56 -12.822 -13.459 -1.398 424 HB2 GLU 56 1HB GLU 56 -13.924 -14.862 -3.760 425 HB3 GLU 56 2HB GLU 56 -12.202 -14.511 -3.807 426 HG2 GLU 56 1HG GLU 56 -13.404 -15.808 -1.402 427 HG3 GLU 56 2HG GLU 56 -13.028 -16.760 -2.836 428 H LEU 57 H LEU 57 -14.311 -12.013 -4.246 429 HA LEU 57 HA LEU 57 -12.090 -10.819 -5.403 430 HG LEU 57 HG LEU 57 -13.978 -11.964 -6.762 431 HB2 LEU 57 1HB LEU 57 -14.964 -9.948 -5.262 432 HB3 LEU 57 2HB LEU 57 -13.754 -9.075 -6.201 433 HD11 LEU 57 1HD1 LEU 57 -16.184 -11.985 -7.031 434 HD12 LEU 57 2HD1 LEU 57 -15.944 -10.874 -8.379 435 HD13 LEU 57 3HD1 LEU 57 -16.306 -10.244 -6.772 436 HD21 LEU 57 3HD2 LEU 57 -13.057 -11.347 -8.703 437 HD22 LEU 57 1HD2 LEU 57 -12.759 -9.798 -7.915 438 HD23 LEU 57 2HD2 LEU 57 -14.191 -10.013 -8.922 439 H GLN 58 H GLN 58 -14.357 -9.354 -3.071 440 HA GLN 58 HA GLN 58 -12.953 -6.954 -2.736 441 HB2 GLN 58 1HB GLN 58 -15.202 -7.040 -1.983 442 HB3 GLN 58 2HB GLN 58 -14.884 -8.433 -0.957 443 HG2 GLN 58 1HG GLN 58 -15.139 -6.455 0.390 444 HG3 GLN 58 2HG GLN 58 -13.477 -7.036 0.483 445 HE21 GLN 58 2HE2 GLN 58 -12.061 -5.460 0.484 446 HE22 GLN 58 1HE2 GLN 58 -12.189 -3.965 -0.371 447 H GLU 59 H GLU 59 -12.401 -10.118 -1.457 448 HA GLU 59 HA GLU 59 -10.933 -9.500 0.844 449 HB2 GLU 59 1HB GLU 59 -11.773 -11.790 -0.105 450 HB3 GLU 59 2HB GLU 59 -10.199 -11.833 -0.887 451 HG2 GLU 59 1HG GLU 59 -9.196 -11.458 1.400 452 HG3 GLU 59 2HG GLU 59 -10.804 -11.770 2.052 453 H MET 60 H MET 60 -9.751 -10.210 -2.445 454 HA MET 60 HA MET 60 -7.047 -9.592 -1.845 455 HB2 MET 60 1HB MET 60 -6.742 -9.610 -4.312 456 HB3 MET 60 2HB MET 60 -7.559 -11.042 -3.702 457 HG2 MET 60 1HG MET 60 -9.667 -10.272 -4.481 458 HG3 MET 60 2HG MET 60 -9.011 -8.681 -4.860 459 HE1 MET 60 3HE MET 60 -7.287 -12.353 -6.102 460 HE2 MET 60 1HE MET 60 -8.902 -12.343 -5.391 461 HE3 MET 60 2HE MET 60 -8.705 -12.575 -7.129 462 H ILE 61 H ILE 61 -9.772 -7.717 -2.978 463 HA ILE 61 HA ILE 61 -8.301 -5.444 -3.835 464 HB ILE 61 HB ILE 61 -11.181 -5.718 -2.973 465 HG12 ILE 61 1HG1 ILE 61 -9.880 -5.517 -5.698 466 HG13 ILE 61 2HG1 ILE 61 -10.603 -6.961 -5.000 467 HG21 ILE 61 1HG2 ILE 61 -10.493 -3.431 -2.632 468 HG22 ILE 61 2HG2 ILE 61 -9.769 -3.375 -4.238 469 HG23 ILE 61 3HG2 ILE 61 -11.517 -3.525 -4.065 470 HD11 ILE 61 3HD1 ILE 61 -12.414 -6.359 -6.146 471 HD12 ILE 61 1HD1 ILE 61 -12.658 -5.180 -4.857 472 HD13 ILE 61 2HD1 ILE 61 -11.851 -4.700 -6.350 473 H ASP 62 H ASP 62 -9.286 -6.611 -0.745 474 HA ASP 62 HA ASP 62 -9.297 -4.167 0.677 475 HB2 ASP 62 1HB ASP 62 -10.318 -6.181 1.599 476 HB3 ASP 62 2HB ASP 62 -8.749 -6.980 1.645 477 H GLU 63 H GLU 63 -6.782 -6.653 0.275 478 HA GLU 63 HA GLU 63 -4.808 -5.194 1.716 479 HB2 GLU 63 1HB GLU 63 -5.047 -7.772 0.598 480 HB3 GLU 63 2HB GLU 63 -3.647 -7.034 -0.167 481 HG2 GLU 63 1HG GLU 63 -3.095 -6.382 2.342 482 HG3 GLU 63 2HG GLU 63 -4.082 -7.808 2.657 483 H VAL 64 H VAL 64 -5.954 -5.121 -1.532 484 HA VAL 64 HA VAL 64 -3.602 -3.865 -2.633 485 HB VAL 64 HB VAL 64 -6.373 -4.219 -3.783 486 HG11 VAL 64 1HG1 VAL 64 -4.189 -2.567 -4.643 487 HG12 VAL 64 2HG1 VAL 64 -4.497 -3.836 -5.830 488 HG13 VAL 64 3HG1 VAL 64 -5.797 -2.748 -5.344 489 HG21 VAL 64 3HG2 VAL 64 -4.461 -6.122 -3.335 490 HG22 VAL 64 1HG2 VAL 64 -5.723 -6.216 -4.563 491 HG23 VAL 64 2HG2 VAL 64 -4.115 -5.631 -4.993 492 H ASP 65 H ASP 65 -6.902 -2.832 -1.808 493 HA ASP 65 HA ASP 65 -6.568 -0.128 -2.529 494 HB2 ASP 65 1HB ASP 65 -8.742 -1.427 -2.037 495 HB3 ASP 65 2HB ASP 65 -8.424 -1.051 -0.346 496 H GLU 66 H GLU 66 -4.941 1.042 -1.709 497 HA GLU 66 HA GLU 66 -3.798 0.699 0.835 498 HB2 GLU 66 1HB GLU 66 -3.768 3.169 -0.909 499 HB3 GLU 66 2HB GLU 66 -2.668 2.831 0.420 500 HG2 GLU 66 1HG GLU 66 -2.904 1.211 -2.106 501 HG3 GLU 66 2HG GLU 66 -1.651 2.402 -1.761 502 H ASP 67 H ASP 67 -6.480 2.633 -0.287 503 HA ASP 67 HA ASP 67 -6.717 3.944 2.319 504 HB2 ASP 67 1HB ASP 67 -8.643 5.152 1.119 505 HB3 ASP 67 2HB ASP 67 -7.002 5.512 0.590 506 H GLY 68 H GLY 68 -7.782 1.180 0.786 507 HA2 GLY 68 1HA GLY 68 -9.460 -0.331 1.209 508 HA3 GLY 68 2HA GLY 68 -9.422 0.312 2.845 509 H SER 69 H SER 69 -10.328 2.004 -0.126 510 HA SER 69 HA SER 69 -12.741 2.960 1.101 511 HG SER 69 HG SER 69 -12.121 2.624 -2.497 512 HB2 SER 69 1HB SER 69 -13.110 4.072 -1.107 513 HB3 SER 69 2HB SER 69 -11.537 4.434 -0.396 514 H GLY 70 H GLY 70 -11.873 0.267 -0.835 515 HA2 GLY 70 1HA GLY 70 -13.379 -1.598 -1.001 516 HA3 GLY 70 2HA GLY 70 -14.718 -0.460 -1.040 517 H THR 71 H THR 71 -12.005 0.388 -2.940 518 HA THR 71 HA THR 71 -12.958 -0.941 -5.335 519 HB THR 71 HB THR 71 -12.807 1.574 -6.361 520 HG1 THR 71 HG1 THR 71 -12.938 2.862 -4.663 521 HG21 THR 71 3HG2 THR 71 -14.739 0.791 -7.145 522 HG22 THR 71 1HG2 THR 71 -15.506 1.235 -5.621 523 HG23 THR 71 2HG2 THR 71 -14.834 -0.382 -5.832 524 H VAL 72 H VAL 72 -11.502 -0.759 -7.118 525 HA VAL 72 HA VAL 72 -8.770 -0.106 -6.268 526 HB VAL 72 HB VAL 72 -9.879 -1.982 -8.326 527 HG11 VAL 72 1HG1 VAL 72 -7.402 -2.319 -8.960 528 HG12 VAL 72 2HG1 VAL 72 -8.275 -0.957 -9.663 529 HG13 VAL 72 3HG1 VAL 72 -7.173 -0.696 -8.311 530 HG21 VAL 72 3HG2 VAL 72 -7.692 -3.075 -6.976 531 HG22 VAL 72 1HG2 VAL 72 -8.589 -2.171 -5.756 532 HG23 VAL 72 2HG2 VAL 72 -9.398 -3.422 -6.698 533 H ASP 73 H ASP 73 -7.723 1.575 -7.105 534 HA ASP 73 HA ASP 73 -8.966 3.027 -9.324 535 HB2 ASP 73 1HB ASP 73 -7.902 3.894 -6.915 536 HB3 ASP 73 2HB ASP 73 -6.650 4.298 -8.086 537 H PHE 74 H PHE 74 -6.914 4.417 -10.386 538 HA PHE 74 HA PHE 74 -5.793 2.662 -12.229 539 HD1 PHE 74 HD1 PHE 74 -4.256 2.655 -13.708 540 HD2 PHE 74 HD2 PHE 74 -5.941 6.557 -13.945 541 HE1 PHE 74 HE1 PHE 74 -4.213 2.521 -16.165 542 HE2 PHE 74 HE2 PHE 74 -5.901 6.428 -16.402 543 HZ PHE 74 HZ PHE 74 -5.037 4.409 -17.515 544 HB2 PHE 74 1HB PHE 74 -5.875 5.420 -11.881 545 HB3 PHE 74 2HB PHE 74 -4.158 5.037 -11.830 546 H ASP 75 H ASP 75 -4.240 4.222 -9.431 547 HA ASP 75 HA ASP 75 -1.731 3.005 -9.728 548 HB2 ASP 75 1HB ASP 75 -3.124 4.059 -7.260 549 HB3 ASP 75 2HB ASP 75 -1.435 3.559 -7.297 550 H GLU 76 H GLU 76 -4.304 2.166 -7.399 551 HA GLU 76 HA GLU 76 -3.187 -0.156 -6.406 552 HB2 GLU 76 1HB GLU 76 -6.123 0.401 -6.869 553 HB3 GLU 76 2HB GLU 76 -5.473 -0.826 -5.791 554 HG2 GLU 76 1HG GLU 76 -4.752 0.719 -4.243 555 HG3 GLU 76 2HG GLU 76 -4.691 2.028 -5.422 556 H TRP 77 H TRP 77 -4.986 0.345 -9.377 557 HA TRP 77 HA TRP 77 -5.288 -2.423 -9.999 558 HD1 TRP 77 HD1 TRP 77 -8.074 -2.623 -12.079 559 HE1 TRP 77 HE1 TRP 77 -7.802 -3.935 -14.276 560 HE3 TRP 77 HE3 TRP 77 -3.450 -0.939 -13.463 561 HZ2 TRP 77 HZ2 TRP 77 -5.881 -4.220 -16.325 562 HZ3 TRP 77 HZ3 TRP 77 -2.465 -1.781 -15.555 563 HH2 TRP 77 HH2 TRP 77 -3.657 -3.388 -16.954 564 HB2 TRP 77 1HB TRP 77 -6.773 -0.696 -10.938 565 HB3 TRP 77 2HB TRP 77 -5.411 -0.010 -11.820 566 H LEU 78 H LEU 78 -2.841 -0.004 -10.608 567 HA LEU 78 HA LEU 78 -1.443 -1.289 -12.674 568 HG LEU 78 HG LEU 78 -0.949 0.597 -13.608 569 HB2 LEU 78 1HB LEU 78 -1.005 0.915 -10.843 570 HB3 LEU 78 2HB LEU 78 0.479 0.018 -11.156 571 HD11 LEU 78 1HD1 LEU 78 -1.704 2.639 -13.097 572 HD12 LEU 78 2HD1 LEU 78 -0.010 3.123 -13.182 573 HD13 LEU 78 3HD1 LEU 78 -0.739 2.733 -11.624 574 HD21 LEU 78 3HD2 LEU 78 1.775 0.762 -12.478 575 HD22 LEU 78 1HD2 LEU 78 1.409 1.855 -13.813 576 HD23 LEU 78 2HD2 LEU 78 1.221 0.113 -14.022 577 H VAL 79 H VAL 79 -0.810 -1.308 -9.164 578 HA VAL 79 HA VAL 79 1.311 -3.116 -9.187 579 HB VAL 79 HB VAL 79 0.743 -3.579 -6.822 580 HG11 VAL 79 1HG1 VAL 79 1.326 -1.031 -8.008 581 HG12 VAL 79 2HG1 VAL 79 0.431 -0.811 -6.503 582 HG13 VAL 79 3HG1 VAL 79 1.936 -1.732 -6.510 583 HG21 VAL 79 3HG2 VAL 79 -1.169 -2.629 -5.770 584 HG22 VAL 79 1HG2 VAL 79 -1.603 -1.735 -7.227 585 HG23 VAL 79 2HG2 VAL 79 -1.742 -3.493 -7.197 586 H MET 80 H MET 80 -2.100 -3.645 -9.518 587 HA MET 80 HA MET 80 -2.255 -6.340 -8.761 588 HB2 MET 80 1HB MET 80 -3.975 -4.408 -9.909 589 HB3 MET 80 2HB MET 80 -4.020 -5.817 -10.960 590 HG2 MET 80 1HG MET 80 -4.306 -7.084 -8.666 591 HG3 MET 80 2HG MET 80 -4.914 -5.513 -8.149 592 HE1 MET 80 3HE MET 80 -6.035 -4.228 -10.260 593 HE2 MET 80 1HE MET 80 -6.432 -5.167 -11.700 594 HE3 MET 80 2HE MET 80 -7.698 -4.740 -10.549 595 H MET 81 H MET 81 -1.863 -4.925 -12.012 596 HA MET 81 HA MET 81 -1.563 -7.343 -13.386 597 HB2 MET 81 1HB MET 81 -1.117 -6.066 -15.227 598 HB3 MET 81 2HB MET 81 -1.802 -4.820 -14.192 599 HG2 MET 81 1HG MET 81 0.513 -4.225 -13.495 600 HG3 MET 81 2HG MET 81 1.111 -5.362 -14.701 601 HE1 MET 81 3HE MET 81 -1.896 -4.312 -16.430 602 HE2 MET 81 1HE MET 81 -1.004 -3.576 -17.763 603 HE3 MET 81 2HE MET 81 -0.531 -5.162 -17.154 604 H ALA 82 H ALA 82 0.751 -5.372 -11.636 605 HA ALA 82 HA ALA 82 3.132 -6.489 -12.569 606 HB1 ALA 82 1HB ALA 82 2.629 -4.499 -10.912 607 HB2 ALA 82 2HB ALA 82 2.920 -5.745 -9.698 608 HB3 ALA 82 3HB ALA 82 4.170 -5.355 -10.880 609 H ARG 83 H ARG 83 0.792 -7.691 -10.272 610 HA ARG 83 HA ARG 83 2.371 -9.647 -9.017 611 HE ARG 83 HE ARG 83 -2.418 -9.009 -8.859 612 HB2 ARG 83 1HB ARG 83 -0.587 -9.874 -9.566 613 HB3 ARG 83 2HB ARG 83 0.320 -10.610 -8.252 614 HG2 ARG 83 1HG ARG 83 0.786 -8.333 -7.375 615 HG3 ARG 83 2HG ARG 83 -0.277 -7.685 -8.626 616 HD2 ARG 83 1HD ARG 83 -1.066 -9.657 -6.484 617 HD3 ARG 83 2HD ARG 83 -1.439 -7.934 -6.484 618 HH11 ARG 83 1HH1 ARG 83 -2.983 -9.278 -5.434 619 HH12 ARG 83 2HH1 ARG 83 -4.660 -9.677 -5.610 620 HH21 ARG 83 1HH2 ARG 83 -4.625 -9.533 -9.104 621 HH22 ARG 83 2HH2 ARG 83 -5.592 -9.822 -7.698 622 H CYS 84 H CYS 84 0.955 -9.508 -12.155 623 HA CYS 84 HA CYS 84 0.807 -12.287 -12.686 624 HG CYS 84 HG CYS 84 0.430 -13.320 -14.944 625 HB2 CYS 84 1HB CYS 84 -0.308 -10.394 -13.983 626 HB3 CYS 84 2HB CYS 84 1.254 -10.135 -14.751 627 H MET 85 H MET 85 3.432 -10.168 -12.360 628 HA MET 85 HA MET 85 5.233 -11.443 -14.177 629 HB2 MET 85 1HB MET 85 6.854 -9.968 -13.390 630 HB3 MET 85 2HB MET 85 5.363 -9.064 -13.164 631 HG2 MET 85 1HG MET 85 6.219 -8.694 -11.125 632 HG3 MET 85 2HG MET 85 5.521 -10.275 -10.778 633 HE1 MET 85 3HE MET 85 9.220 -9.700 -9.082 634 HE2 MET 85 1HE MET 85 8.298 -8.353 -9.750 635 HE3 MET 85 2HE MET 85 7.495 -9.556 -8.741 636 H LYS 86 H LYS 86 4.165 -12.059 -10.954 637 HA LYS 86 HA LYS 86 6.399 -13.624 -10.117 638 HB2 LYS 86 1HB LYS 86 4.361 -12.500 -8.786 639 HB3 LYS 86 2HB LYS 86 3.713 -14.127 -8.949 640 HG2 LYS 86 1HG LYS 86 4.835 -14.000 -6.860 641 HG3 LYS 86 2HG LYS 86 5.826 -14.988 -7.936 642 HD2 LYS 86 1HD LYS 86 6.925 -12.617 -8.447 643 HD3 LYS 86 2HD LYS 86 6.338 -12.288 -6.815 644 HE2 LYS 86 1HE LYS 86 7.760 -13.793 -5.854 645 HE3 LYS 86 2HE LYS 86 7.792 -14.836 -7.275 646 HZ1 LYS 86 3HZ LYS 86 9.616 -13.836 -8.008 647 HZ2 LYS 86 1HZ LYS 86 9.724 -13.044 -6.517 648 HZ3 LYS 86 2HZ LYS 86 8.950 -12.292 -7.819 649 H ASP 87 H ASP 87 4.017 -14.169 -12.384 650 HA ASP 87 HA ASP 87 3.203 -16.008 -13.461 651 HB2 ASP 87 1HB ASP 87 5.777 -16.118 -13.753 652 HB3 ASP 87 2HB ASP 87 5.697 -17.454 -12.607 653 H ASP 88 H ASP 88 2.522 -15.744 -10.647 654 HA ASP 88 HA ASP 88 1.445 -16.901 -9.012 655 HB2 ASP 88 1HB ASP 88 1.336 -19.090 -11.099 656 HB3 ASP 88 2HB ASP 88 0.361 -19.015 -9.634 657 H SER 89 H SER 89 4.267 -16.941 -8.987 658 HA SER 89 HA SER 89 4.690 -19.241 -7.288 659 HG SER 89 HG SER 89 4.524 -20.809 -9.161 660 HB2 SER 89 1HB SER 89 6.488 -18.830 -9.689 661 HB3 SER 89 2HB SER 89 6.638 -20.090 -8.464 Start of MODEL 17 1 HA MET 1 HA MET 1 2.807 -1.602 -3.739 2 H1 MET 1 H MET 1 1.511 -2.715 -1.490 3 HB2 MET 1 1HB MET 1 0.962 -0.594 -2.232 4 HB3 MET 1 2HB MET 1 2.289 -0.078 -1.200 5 HG2 MET 1 1HG MET 1 3.251 1.183 -3.043 6 HG3 MET 1 2HG MET 1 1.950 0.644 -4.101 7 HE1 MET 1 3HE MET 1 3.362 3.295 -2.640 8 HE2 MET 1 1HE MET 1 2.257 4.029 -3.803 9 HE3 MET 1 2HE MET 1 2.133 4.436 -2.091 10 H ASP 2 H ASP 2 4.609 -3.338 -2.501 11 HA ASP 2 HA ASP 2 6.494 -1.862 -0.919 12 HB2 ASP 2 1HB ASP 2 6.376 -4.601 -2.104 13 HB3 ASP 2 2HB ASP 2 7.946 -3.966 -1.617 14 H ASP 3 H ASP 3 8.840 -1.777 -1.630 15 HA ASP 3 HA ASP 3 9.018 -0.191 -3.978 16 HB2 ASP 3 1HB ASP 3 11.288 0.129 -3.420 17 HB3 ASP 3 2HB ASP 3 10.468 -0.050 -1.872 18 H ILE 4 H ILE 4 9.443 -3.563 -3.328 19 HA ILE 4 HA ILE 4 11.046 -4.202 -5.584 20 HB ILE 4 HB ILE 4 10.940 -5.749 -3.738 21 HG12 ILE 4 1HG1 ILE 4 9.459 -7.370 -5.712 22 HG13 ILE 4 2HG1 ILE 4 10.820 -6.461 -6.361 23 HG21 ILE 4 1HG2 ILE 4 9.062 -6.220 -2.654 24 HG22 ILE 4 2HG2 ILE 4 8.197 -5.167 -3.772 25 HG23 ILE 4 3HG2 ILE 4 8.338 -6.890 -4.116 26 HD11 ILE 4 3HD1 ILE 4 12.089 -8.157 -5.715 27 HD12 ILE 4 1HD1 ILE 4 11.827 -7.607 -4.061 28 HD13 ILE 4 2HD1 ILE 4 10.791 -8.858 -4.749 29 H TYR 5 H TYR 5 7.607 -3.843 -5.068 30 HA TYR 5 HA TYR 5 6.913 -4.989 -7.630 31 HD1 TYR 5 HD2 TYR 5 6.091 -6.754 -7.284 32 HD2 TYR 5 HD1 TYR 5 4.272 -4.949 -3.888 33 HE1 TYR 5 HE2 TYR 5 5.795 -8.975 -6.270 34 HE2 TYR 5 HE1 TYR 5 3.972 -7.164 -2.863 35 HH TYR 5 HH TYR 5 5.470 -9.659 -3.404 36 HB2 TYR 5 1HB TYR 5 5.282 -3.592 -5.506 37 HB3 TYR 5 2HB TYR 5 4.598 -4.192 -7.013 38 H LYS 6 H LYS 6 7.003 -1.770 -6.153 39 HA LYS 6 HA LYS 6 6.021 -0.371 -8.407 40 HB2 LYS 6 1HB LYS 6 6.578 1.601 -7.254 41 HB3 LYS 6 2HB LYS 6 6.192 0.444 -5.988 42 HG2 LYS 6 1HG LYS 6 8.099 1.273 -5.108 43 HG3 LYS 6 2HG LYS 6 8.816 0.022 -6.126 44 HD2 LYS 6 1HD LYS 6 8.762 1.972 -7.920 45 HD3 LYS 6 2HD LYS 6 8.790 2.976 -6.469 46 HE2 LYS 6 1HE LYS 6 10.723 1.162 -5.889 47 HE3 LYS 6 2HE LYS 6 10.883 1.276 -7.641 48 HZ1 LYS 6 3HZ LYS 6 12.254 2.953 -6.938 49 HZ2 LYS 6 1HZ LYS 6 11.295 3.349 -5.602 50 HZ3 LYS 6 2HZ LYS 6 10.813 3.812 -7.156 51 H ALA 7 H ALA 7 9.217 -1.423 -7.440 52 HA ALA 7 HA ALA 7 10.684 0.154 -9.286 53 HB1 ALA 7 1HB ALA 7 12.436 -1.712 -8.889 54 HB2 ALA 7 2HB ALA 7 11.973 -0.666 -7.546 55 HB3 ALA 7 3HB ALA 7 11.297 -2.289 -7.672 56 H ALA 8 H ALA 8 8.811 -2.712 -9.605 57 HA ALA 8 HA ALA 8 10.100 -3.639 -12.012 58 HB1 ALA 8 1HB ALA 8 9.152 -5.501 -11.236 59 HB2 ALA 8 2HB ALA 8 8.037 -4.601 -10.207 60 HB3 ALA 8 3HB ALA 8 7.641 -4.882 -11.902 61 H VAL 9 H VAL 9 7.079 -1.971 -11.191 62 HA VAL 9 HA VAL 9 6.158 -1.800 -13.883 63 HB VAL 9 HB VAL 9 4.597 -0.040 -12.938 64 HG11 VAL 9 1HG1 VAL 9 3.183 -1.713 -12.506 65 HG12 VAL 9 2HG1 VAL 9 4.550 -2.793 -12.790 66 HG13 VAL 9 3HG1 VAL 9 4.150 -2.287 -11.148 67 HG21 VAL 9 3HG2 VAL 9 6.164 0.596 -11.081 68 HG22 VAL 9 1HG2 VAL 9 4.498 0.303 -10.584 69 HG23 VAL 9 2HG2 VAL 9 5.734 -0.921 -10.291 70 H GLU 10 H GLU 10 8.111 0.238 -11.808 71 HA GLU 10 HA GLU 10 8.005 2.556 -13.460 72 HB2 GLU 10 1HB GLU 10 9.527 3.514 -11.982 73 HB3 GLU 10 2HB GLU 10 8.673 2.359 -10.969 74 HG2 GLU 10 1HG GLU 10 10.513 0.763 -11.260 75 HG3 GLU 10 2HG GLU 10 11.374 1.954 -12.233 76 H GLN 11 H GLN 11 9.849 -0.364 -13.504 77 HA GLN 11 HA GLN 11 11.852 0.733 -15.311 78 HB2 GLN 11 1HB GLN 11 13.140 -1.068 -14.801 79 HB3 GLN 11 2HB GLN 11 12.090 -1.124 -13.391 80 HG2 GLN 11 1HG GLN 11 10.661 -2.759 -14.568 81 HG3 GLN 11 2HG GLN 11 11.809 -2.751 -15.906 82 HE21 GLN 11 2HE2 GLN 11 12.547 -4.794 -15.788 83 HE22 GLN 11 1HE2 GLN 11 13.382 -5.455 -14.428 84 H LEU 12 H LEU 12 8.776 -0.311 -15.637 85 HA LEU 12 HA LEU 12 8.930 -2.073 -17.851 86 HG LEU 12 HG LEU 12 7.150 -2.392 -15.490 87 HB2 LEU 12 1HB LEU 12 6.763 -0.323 -16.738 88 HB3 LEU 12 2HB LEU 12 6.525 -1.255 -18.215 89 HD11 LEU 12 1HD1 LEU 12 4.880 -3.199 -15.502 90 HD12 LEU 12 2HD1 LEU 12 4.604 -2.503 -17.099 91 HD13 LEU 12 3HD1 LEU 12 4.879 -1.448 -15.713 92 HD21 LEU 12 3HD2 LEU 12 6.644 -3.704 -18.155 93 HD22 LEU 12 1HD2 LEU 12 6.608 -4.555 -16.610 94 HD23 LEU 12 2HD2 LEU 12 8.103 -3.803 -17.168 95 H THR 13 H THR 13 7.685 -1.349 -19.955 96 HA THR 13 HA THR 13 9.173 0.956 -20.990 97 HB THR 13 HB THR 13 9.504 -1.104 -22.233 98 HG1 THR 13 HG1 THR 13 9.338 -0.100 -24.120 99 HG21 THR 13 3HG2 THR 13 6.912 -1.366 -23.453 100 HG22 THR 13 1HG2 THR 13 6.781 -1.536 -21.703 101 HG23 THR 13 2HG2 THR 13 7.875 -2.579 -22.611 102 H GLU 14 H GLU 14 8.108 2.424 -22.483 103 HA GLU 14 HA GLU 14 5.793 3.565 -21.471 104 HB2 GLU 14 1HB GLU 14 6.848 3.762 -24.298 105 HB3 GLU 14 2HB GLU 14 5.705 4.869 -23.550 106 HG2 GLU 14 1HG GLU 14 7.652 5.084 -21.769 107 HG3 GLU 14 2HG GLU 14 8.628 4.601 -23.155 108 H GLU 15 H GLU 15 6.191 1.150 -23.999 109 HA GLU 15 HA GLU 15 3.541 1.185 -24.964 110 HB2 GLU 15 1HB GLU 15 5.352 -1.226 -24.928 111 HB3 GLU 15 2HB GLU 15 4.066 -0.862 -26.069 112 HG2 GLU 15 1HG GLU 15 5.393 1.101 -26.834 113 HG3 GLU 15 2HG GLU 15 6.709 0.546 -25.800 114 H GLN 16 H GLN 16 5.088 -0.523 -22.311 115 HA GLN 16 HA GLN 16 2.984 -2.319 -21.753 116 HB2 GLN 16 1HB GLN 16 5.356 -1.300 -20.256 117 HB3 GLN 16 2HB GLN 16 4.106 -2.153 -19.360 118 HG2 GLN 16 1HG GLN 16 4.833 -3.568 -21.771 119 HG3 GLN 16 2HG GLN 16 6.231 -3.272 -20.739 120 HE21 GLN 16 2HE2 GLN 16 6.376 -5.511 -20.345 121 HE22 GLN 16 1HE2 GLN 16 5.307 -6.296 -19.238 122 H LYS 17 H LYS 17 3.757 0.904 -20.503 123 HA LYS 17 HA LYS 17 1.637 1.005 -18.627 124 HB2 LYS 17 1HB LYS 17 3.688 2.804 -19.643 125 HB3 LYS 17 2HB LYS 17 2.169 3.637 -19.340 126 HG2 LYS 17 1HG LYS 17 3.657 3.706 -17.404 127 HG3 LYS 17 2HG LYS 17 2.158 2.844 -17.050 128 HD2 LYS 17 1HD LYS 17 3.296 0.712 -17.338 129 HD3 LYS 17 2HD LYS 17 4.791 1.549 -17.762 130 HE2 LYS 17 1HE LYS 17 4.714 0.745 -15.408 131 HE3 LYS 17 2HE LYS 17 4.965 2.483 -15.563 132 HZ1 LYS 17 3HZ LYS 17 3.069 1.274 -14.031 133 HZ2 LYS 17 1HZ LYS 17 2.195 1.782 -15.388 134 HZ3 LYS 17 2HZ LYS 17 3.081 2.904 -14.484 135 H ASN 18 H ASN 18 1.797 1.479 -22.038 136 HA ASN 18 HA ASN 18 -0.450 3.146 -22.388 137 HB2 ASN 18 1HB ASN 18 1.331 1.579 -24.069 138 HB3 ASN 18 2HB ASN 18 -0.332 1.516 -24.648 139 HD21 ASN 18 2HD2 ASN 18 0.476 2.672 -26.492 140 HD22 ASN 18 1HD2 ASN 18 0.667 4.387 -26.414 141 H GLU 19 H GLU 19 -0.136 -0.395 -22.664 142 HA GLU 19 HA GLU 19 -2.904 -0.855 -23.037 143 HB2 GLU 19 1HB GLU 19 -2.398 -3.127 -22.984 144 HB3 GLU 19 2HB GLU 19 -0.897 -2.405 -23.545 145 HG2 GLU 19 1HG GLU 19 -0.280 -2.407 -21.013 146 HG3 GLU 19 2HG GLU 19 -1.536 -3.639 -20.911 147 H PHE 20 H PHE 20 -0.866 -0.600 -20.205 148 HA PHE 20 HA PHE 20 -2.688 -1.703 -18.340 149 HD1 PHE 20 HD2 PHE 20 -2.079 -2.923 -16.773 150 HD2 PHE 20 HD1 PHE 20 1.660 -1.229 -17.898 151 HE1 PHE 20 HE2 PHE 20 -0.967 -5.062 -16.284 152 HE2 PHE 20 HE1 PHE 20 2.778 -3.366 -17.412 153 HZ PHE 20 HZ PHE 20 1.465 -5.286 -16.603 154 HB2 PHE 20 1HB PHE 20 -0.247 0.018 -18.150 155 HB3 PHE 20 2HB PHE 20 -1.265 -0.185 -16.728 156 H LYS 21 H LYS 21 -2.222 1.519 -19.647 157 HA LYS 21 HA LYS 21 -4.077 2.746 -17.809 158 HB2 LYS 21 1HB LYS 21 -2.040 3.825 -19.025 159 HB3 LYS 21 2HB LYS 21 -3.157 4.008 -20.372 160 HG2 LYS 21 1HG LYS 21 -4.227 5.712 -19.405 161 HG3 LYS 21 2HG LYS 21 -4.234 4.934 -17.820 162 HD2 LYS 21 1HD LYS 21 -2.777 6.561 -17.276 163 HD3 LYS 21 2HD LYS 21 -1.600 5.532 -18.096 164 HE2 LYS 21 1HE LYS 21 -1.571 6.848 -19.987 165 HE3 LYS 21 2HE LYS 21 -3.183 7.495 -19.691 166 HZ1 LYS 21 3HZ LYS 21 -1.885 8.451 -17.583 167 HZ2 LYS 21 1HZ LYS 21 -2.008 9.286 -19.050 168 HZ3 LYS 21 2HZ LYS 21 -0.610 8.403 -18.694 169 H ALA 22 H ALA 22 -4.117 1.538 -21.109 170 HA ALA 22 HA ALA 22 -6.684 2.583 -21.776 171 HB1 ALA 22 1HB ALA 22 -5.910 0.186 -23.232 172 HB2 ALA 22 2HB ALA 22 -6.221 1.819 -23.821 173 HB3 ALA 22 3HB ALA 22 -4.633 1.401 -23.178 174 H ALA 23 H ALA 23 -5.581 -0.715 -20.974 175 HA ALA 23 HA ALA 23 -8.043 -1.980 -20.979 176 HB1 ALA 23 1HB ALA 23 -6.918 -3.490 -19.198 177 HB2 ALA 23 2HB ALA 23 -6.232 -3.411 -20.821 178 HB3 ALA 23 3HB ALA 23 -5.492 -2.498 -19.507 179 H PHE 24 H PHE 24 -6.566 0.022 -18.507 180 HA PHE 24 HA PHE 24 -8.382 -0.632 -16.423 181 HD1 PHE 24 HD1 PHE 24 -7.536 0.044 -13.732 182 HD2 PHE 24 HD2 PHE 24 -7.824 3.587 -16.074 183 HE1 PHE 24 HE1 PHE 24 -8.504 1.233 -11.808 184 HE2 PHE 24 HE2 PHE 24 -8.791 4.782 -14.153 185 HZ PHE 24 HZ PHE 24 -9.131 3.606 -12.016 186 HB2 PHE 24 1HB PHE 24 -6.269 0.333 -15.832 187 HB3 PHE 24 2HB PHE 24 -6.560 1.738 -16.852 188 H ASP 25 H ASP 25 -8.268 1.953 -18.835 189 HA ASP 25 HA ASP 25 -10.519 3.374 -17.880 190 HB2 ASP 25 1HB ASP 25 -8.660 4.066 -19.591 191 HB3 ASP 25 2HB ASP 25 -9.756 3.366 -20.779 192 H ILE 26 H ILE 26 -10.144 0.641 -20.030 193 HA ILE 26 HA ILE 26 -12.764 0.692 -21.121 194 HB ILE 26 HB ILE 26 -10.804 -1.588 -20.851 195 HG12 ILE 26 1HG1 ILE 26 -11.520 0.188 -23.194 196 HG13 ILE 26 2HG1 ILE 26 -10.029 0.267 -22.262 197 HG21 ILE 26 1HG2 ILE 26 -12.181 -2.703 -22.578 198 HG22 ILE 26 2HG2 ILE 26 -13.029 -2.491 -21.047 199 HG23 ILE 26 3HG2 ILE 26 -13.381 -1.423 -22.405 200 HD11 ILE 26 3HD1 ILE 26 -10.680 -1.370 -24.512 201 HD12 ILE 26 1HD1 ILE 26 -9.132 -1.153 -23.696 202 HD13 ILE 26 2HD1 ILE 26 -10.261 -2.385 -23.131 203 H PHE 27 H PHE 27 -11.376 -0.636 -18.205 204 HA PHE 27 HA PHE 27 -13.664 -2.261 -17.570 205 HD1 PHE 27 HD2 PHE 27 -11.084 -2.939 -18.657 206 HD2 PHE 27 HD1 PHE 27 -11.987 -4.438 -14.777 207 HE1 PHE 27 HE2 PHE 27 -10.406 -5.193 -19.373 208 HE2 PHE 27 HE1 PHE 27 -11.309 -6.694 -15.487 209 HZ PHE 27 HZ PHE 27 -10.519 -7.074 -17.788 210 HB2 PHE 27 1HB PHE 27 -11.108 -1.547 -16.186 211 HB3 PHE 27 2HB PHE 27 -12.427 -2.238 -15.247 212 H VAL 28 H VAL 28 -12.416 0.896 -16.611 213 HA VAL 28 HA VAL 28 -14.567 1.327 -14.722 214 HB VAL 28 HB VAL 28 -13.565 3.480 -14.295 215 HG11 VAL 28 1HG1 VAL 28 -12.499 1.747 -13.104 216 HG12 VAL 28 2HG1 VAL 28 -11.615 1.204 -14.532 217 HG13 VAL 28 3HG1 VAL 28 -11.199 2.737 -13.766 218 HG21 VAL 28 3HG2 VAL 28 -11.306 3.838 -15.658 219 HG22 VAL 28 1HG2 VAL 28 -12.219 2.958 -16.884 220 HG23 VAL 28 2HG2 VAL 28 -12.856 4.463 -16.221 221 H LEU 29 H LEU 29 -14.579 1.246 -17.929 222 HA LEU 29 HA LEU 29 -15.572 3.640 -18.887 223 HG LEU 29 HG LEU 29 -14.139 2.346 -20.799 224 HB2 LEU 29 1HB LEU 29 -15.692 0.829 -19.681 225 HB3 LEU 29 2HB LEU 29 -17.055 1.788 -20.255 226 HD11 LEU 29 1HD1 LEU 29 -14.356 1.321 -22.795 227 HD12 LEU 29 2HD1 LEU 29 -16.050 1.777 -22.971 228 HD13 LEU 29 3HD1 LEU 29 -15.607 0.411 -21.947 229 HD21 LEU 29 3HD2 LEU 29 -16.642 3.873 -21.306 230 HD22 LEU 29 1HD2 LEU 29 -15.371 3.906 -22.527 231 HD23 LEU 29 2HD2 LEU 29 -15.029 4.451 -20.885 232 H GLY 30 H GLY 30 -17.112 1.273 -16.862 233 HA2 GLY 30 1HA GLY 30 -19.753 2.448 -17.254 234 HA3 GLY 30 2HA GLY 30 -19.372 1.047 -16.263 235 H ALA 31 H ALA 31 -17.112 2.633 -15.027 236 HA ALA 31 HA ALA 31 -18.611 3.627 -12.807 237 HB1 ALA 31 1HB ALA 31 -16.617 2.703 -12.129 238 HB2 ALA 31 2HB ALA 31 -15.711 3.404 -13.471 239 HB3 ALA 31 3HB ALA 31 -16.217 4.421 -12.123 240 H GLU 32 H GLU 32 -18.184 5.818 -11.871 241 HA GLU 32 HA GLU 32 -18.292 7.828 -14.015 242 HB2 GLU 32 1HB GLU 32 -19.432 9.252 -12.292 243 HB3 GLU 32 2HB GLU 32 -20.322 7.810 -12.757 244 HG2 GLU 32 1HG GLU 32 -19.659 6.688 -10.737 245 HG3 GLU 32 2HG GLU 32 -18.621 8.039 -10.287 246 H ASP 33 H ASP 33 -16.814 7.041 -10.925 247 HA ASP 33 HA ASP 33 -15.262 9.483 -10.869 248 HB2 ASP 33 1HB ASP 33 -15.571 7.113 -9.072 249 HB3 ASP 33 2HB ASP 33 -14.138 8.123 -8.906 250 H GLY 34 H GLY 34 -14.822 6.120 -11.749 251 HA2 GLY 34 1HA GLY 34 -13.174 5.639 -13.480 252 HA3 GLY 34 2HA GLY 34 -12.118 6.814 -12.710 253 H CYS 35 H CYS 35 -14.003 4.076 -11.431 254 HA CYS 35 HA CYS 35 -11.524 2.727 -10.693 255 HG CYS 35 HG CYS 35 -11.910 5.656 -8.576 256 HB2 CYS 35 1HB CYS 35 -13.618 3.652 -8.731 257 HB3 CYS 35 2HB CYS 35 -12.505 2.340 -8.364 258 H ILE 36 H ILE 36 -12.123 0.558 -9.562 259 HA ILE 36 HA ILE 36 -14.470 -0.586 -10.929 260 HB ILE 36 HB ILE 36 -11.802 -1.930 -10.479 261 HG12 ILE 36 1HG1 ILE 36 -12.633 -1.853 -13.214 262 HG13 ILE 36 2HG1 ILE 36 -12.719 -0.221 -12.561 263 HG21 ILE 36 1HG2 ILE 36 -12.875 -3.698 -11.969 264 HG22 ILE 36 2HG2 ILE 36 -13.425 -3.613 -10.296 265 HG23 ILE 36 3HG2 ILE 36 -14.411 -2.922 -11.584 266 HD11 ILE 36 3HD1 ILE 36 -10.274 -1.625 -11.835 267 HD12 ILE 36 1HD1 ILE 36 -10.486 -1.425 -13.574 268 HD13 ILE 36 2HD1 ILE 36 -10.504 -0.014 -12.515 269 H SER 37 H SER 37 -15.930 -1.335 -9.556 270 HA SER 37 HA SER 37 -15.198 -1.857 -6.792 271 HG SER 37 HG SER 37 -18.247 -0.407 -8.518 272 HB2 SER 37 1HB SER 37 -17.823 -2.351 -6.793 273 HB3 SER 37 2HB SER 37 -17.183 -0.708 -6.743 274 H THR 38 H THR 38 -15.446 -3.811 -5.738 275 HA THR 38 HA THR 38 -14.785 -6.137 -7.057 276 HB THR 38 HB THR 38 -14.471 -6.151 -4.728 277 HG1 THR 38 HG1 THR 38 -16.046 -7.906 -4.067 278 HG21 THR 38 3HG2 THR 38 -15.797 -4.824 -3.509 279 HG22 THR 38 1HG2 THR 38 -16.932 -6.172 -3.461 280 HG23 THR 38 2HG2 THR 38 -17.104 -4.918 -4.689 281 H LYS 39 H LYS 39 -17.930 -4.716 -6.581 282 HA LYS 39 HA LYS 39 -19.491 -7.005 -7.163 283 HB2 LYS 39 1HB LYS 39 -20.154 -4.678 -6.149 284 HB3 LYS 39 2HB LYS 39 -20.417 -4.235 -7.830 285 HG2 LYS 39 1HG LYS 39 -21.988 -6.117 -8.056 286 HG3 LYS 39 2HG LYS 39 -21.759 -6.484 -6.344 287 HD2 LYS 39 1HD LYS 39 -22.639 -4.300 -5.737 288 HD3 LYS 39 2HD LYS 39 -22.806 -3.874 -7.441 289 HE2 LYS 39 1HE LYS 39 -24.182 -6.256 -6.227 290 HE3 LYS 39 2HE LYS 39 -24.907 -4.649 -6.235 291 HZ1 LYS 39 3HZ LYS 39 -24.677 -6.551 -8.362 292 HZ2 LYS 39 1HZ LYS 39 -24.113 -5.020 -8.810 293 HZ3 LYS 39 2HZ LYS 39 -25.690 -5.203 -8.227 294 H GLU 40 H GLU 40 -18.577 -4.221 -9.197 295 HA GLU 40 HA GLU 40 -19.629 -5.388 -11.578 296 HB2 GLU 40 1HB GLU 40 -17.605 -3.156 -11.370 297 HB3 GLU 40 2HB GLU 40 -18.667 -3.504 -12.727 298 HG2 GLU 40 1HG GLU 40 -19.556 -2.608 -9.995 299 HG3 GLU 40 2HG GLU 40 -19.434 -1.586 -11.426 300 H LEU 41 H LEU 41 -16.574 -5.504 -9.937 301 HA LEU 41 HA LEU 41 -14.918 -6.272 -12.073 302 HG LEU 41 HG LEU 41 -13.288 -8.482 -10.035 303 HB2 LEU 41 1HB LEU 41 -13.973 -5.556 -9.989 304 HB3 LEU 41 2HB LEU 41 -14.764 -6.872 -9.125 305 HD11 LEU 41 1HD1 LEU 41 -11.424 -7.247 -11.613 306 HD12 LEU 41 2HD1 LEU 41 -12.925 -6.474 -12.120 307 HD13 LEU 41 3HD1 LEU 41 -12.770 -8.229 -12.192 308 HD21 LEU 41 3HD2 LEU 41 -11.924 -5.960 -9.154 309 HD22 LEU 41 1HD2 LEU 41 -11.008 -7.420 -9.532 310 HD23 LEU 41 2HD2 LEU 41 -12.212 -7.444 -8.243 311 H GLY 42 H GLY 42 -17.275 -8.018 -10.223 312 HA2 GLY 42 1HA GLY 42 -16.322 -10.642 -10.836 313 HA3 GLY 42 2HA GLY 42 -17.914 -10.233 -10.216 314 H LYS 43 H LYS 43 -18.498 -8.392 -12.411 315 HA LYS 43 HA LYS 43 -19.706 -10.226 -14.187 316 HB2 LYS 43 1HB LYS 43 -19.382 -7.251 -14.121 317 HB3 LYS 43 2HB LYS 43 -19.983 -8.016 -15.586 318 HG2 LYS 43 1HG LYS 43 -21.912 -7.447 -14.437 319 HG3 LYS 43 2HG LYS 43 -21.694 -9.154 -14.047 320 HD2 LYS 43 1HD LYS 43 -20.824 -8.634 -11.894 321 HD3 LYS 43 2HD LYS 43 -20.693 -6.920 -12.292 322 HE2 LYS 43 1HE LYS 43 -23.247 -7.041 -12.645 323 HE3 LYS 43 2HE LYS 43 -23.148 -8.549 -11.736 324 HZ1 LYS 43 3HZ LYS 43 -22.177 -7.358 -9.893 325 HZ2 LYS 43 1HZ LYS 43 -23.649 -6.640 -10.318 326 HZ3 LYS 43 2HZ LYS 43 -22.191 -5.910 -10.767 327 H VAL 44 H VAL 44 -16.787 -8.254 -14.399 328 HA VAL 44 HA VAL 44 -16.207 -8.749 -17.112 329 HB VAL 44 HB VAL 44 -14.294 -8.139 -14.854 330 HG11 VAL 44 1HG1 VAL 44 -12.694 -8.518 -16.354 331 HG12 VAL 44 2HG1 VAL 44 -13.869 -8.720 -17.655 332 HG13 VAL 44 3HG1 VAL 44 -13.290 -7.109 -17.230 333 HG21 VAL 44 3HG2 VAL 44 -15.689 -6.320 -16.816 334 HG22 VAL 44 1HG2 VAL 44 -15.996 -6.427 -15.082 335 HG23 VAL 44 2HG2 VAL 44 -14.448 -5.820 -15.667 336 H MET 45 H MET 45 -15.728 -10.630 -14.229 337 HA MET 45 HA MET 45 -13.695 -12.350 -15.053 338 HB2 MET 45 1HB MET 45 -16.064 -13.148 -13.360 339 HB3 MET 45 2HB MET 45 -14.455 -13.856 -13.346 340 HG2 MET 45 1HG MET 45 -15.234 -11.108 -12.407 341 HG3 MET 45 2HG MET 45 -14.724 -12.471 -11.414 342 HE1 MET 45 3HE MET 45 -12.251 -13.707 -12.140 343 HE2 MET 45 1HE MET 45 -12.487 -13.373 -13.855 344 HE3 MET 45 2HE MET 45 -11.018 -12.828 -13.045 345 H ARG 46 H ARG 46 -17.212 -12.637 -15.470 346 HA ARG 46 HA ARG 46 -17.276 -15.129 -16.705 347 HE ARG 46 HE ARG 46 -21.556 -13.687 -17.792 348 HB2 ARG 46 1HB ARG 46 -19.466 -14.594 -17.414 349 HB3 ARG 46 2HB ARG 46 -19.236 -13.721 -15.905 350 HG2 ARG 46 1HG ARG 46 -19.933 -11.909 -16.974 351 HG3 ARG 46 2HG ARG 46 -18.403 -11.937 -17.853 352 HD2 ARG 46 1HD ARG 46 -20.352 -11.801 -19.353 353 HD3 ARG 46 2HD ARG 46 -19.399 -13.261 -19.614 354 HH11 ARG 46 1HH1 ARG 46 -20.729 -13.446 -21.165 355 HH12 ARG 46 2HH1 ARG 46 -22.054 -14.430 -21.694 356 HH21 ARG 46 1HH2 ARG 46 -23.304 -14.983 -18.476 357 HH22 ARG 46 2HH2 ARG 46 -23.519 -15.302 -20.164 358 H MET 47 H MET 47 -16.250 -12.061 -17.923 359 HA MET 47 HA MET 47 -16.533 -12.603 -20.693 360 HB2 MET 47 1HB MET 47 -14.522 -10.749 -19.417 361 HB3 MET 47 2HB MET 47 -15.166 -10.663 -21.051 362 HG2 MET 47 1HG MET 47 -17.417 -10.246 -20.051 363 HG3 MET 47 2HG MET 47 -16.627 -10.127 -18.480 364 HE1 MET 47 3HE MET 47 -16.910 -9.075 -21.953 365 HE2 MET 47 1HE MET 47 -17.136 -7.331 -21.813 366 HE3 MET 47 2HE MET 47 -15.534 -7.988 -22.148 367 H LEU 48 H LEU 48 -13.898 -13.061 -18.383 368 HA LEU 48 HA LEU 48 -12.035 -13.981 -20.352 369 HG LEU 48 HG LEU 48 -10.072 -12.579 -17.567 370 HB2 LEU 48 1HB LEU 48 -12.040 -14.174 -17.345 371 HB3 LEU 48 2HB LEU 48 -10.698 -14.683 -18.369 372 HD11 LEU 48 1HD1 LEU 48 -9.918 -12.900 -20.061 373 HD12 LEU 48 2HD1 LEU 48 -9.895 -11.228 -19.502 374 HD13 LEU 48 3HD1 LEU 48 -11.368 -11.905 -20.197 375 HD21 LEU 48 3HD2 LEU 48 -12.425 -12.052 -16.762 376 HD22 LEU 48 1HD2 LEU 48 -12.711 -11.385 -18.370 377 HD23 LEU 48 2HD2 LEU 48 -11.459 -10.692 -17.338 378 H GLY 49 H GLY 49 -14.551 -15.427 -18.486 379 HA2 GLY 49 1HA GLY 49 -15.385 -17.570 -19.341 380 HA3 GLY 49 2HA GLY 49 -13.709 -18.077 -19.486 381 H GLN 50 H GLN 50 -14.535 -16.250 -16.697 382 HA GLN 50 HA GLN 50 -14.801 -18.700 -15.097 383 HB2 GLN 50 1HB GLN 50 -13.235 -17.903 -13.461 384 HB3 GLN 50 2HB GLN 50 -12.451 -17.858 -15.034 385 HG2 GLN 50 1HG GLN 50 -13.404 -15.365 -14.963 386 HG3 GLN 50 2HG GLN 50 -13.226 -15.653 -13.233 387 HE21 GLN 50 2HE2 GLN 50 -11.510 -15.734 -16.308 388 HE22 GLN 50 1HE2 GLN 50 -9.943 -15.424 -15.650 389 H ASN 51 H ASN 51 -16.110 -18.555 -13.305 390 HA ASN 51 HA ASN 51 -17.307 -15.950 -12.692 391 HB2 ASN 51 1HB ASN 51 -19.550 -17.146 -12.519 392 HB3 ASN 51 2HB ASN 51 -18.938 -16.871 -14.148 393 HD21 ASN 51 2HD2 ASN 51 -20.140 -19.129 -11.994 394 HD22 ASN 51 1HD2 ASN 51 -19.759 -20.562 -12.880 395 HA PRO 52 HA PRO 52 -16.041 -18.381 -8.922 396 HB2 PRO 52 1HB PRO 52 -14.652 -16.350 -7.776 397 HB3 PRO 52 2HB PRO 52 -13.928 -17.481 -8.925 398 HG2 PRO 52 1HG PRO 52 -14.966 -14.712 -9.391 399 HG3 PRO 52 2HG PRO 52 -13.483 -15.468 -10.001 400 HD2 PRO 52 1HD PRO 52 -15.718 -15.219 -11.509 401 HD3 PRO 52 2HD PRO 52 -14.595 -16.581 -11.686 402 H THR 53 H THR 53 -16.367 -17.675 -6.591 403 HA THR 53 HA THR 53 -18.991 -16.862 -6.177 404 HB THR 53 HB THR 53 -17.929 -16.264 -3.774 405 HG1 THR 53 HG1 THR 53 -16.136 -17.817 -3.550 406 HG21 THR 53 3HG2 THR 53 -18.179 -19.104 -4.759 407 HG22 THR 53 1HG2 THR 53 -19.560 -18.073 -4.388 408 HG23 THR 53 2HG2 THR 53 -18.419 -18.511 -3.116 409 HA PRO 54 HA PRO 54 -19.062 -12.474 -6.223 410 HB2 PRO 54 1HB PRO 54 -20.709 -11.895 -4.144 411 HB3 PRO 54 2HB PRO 54 -21.286 -12.599 -5.660 412 HG2 PRO 54 1HG PRO 54 -20.685 -13.944 -3.054 413 HG3 PRO 54 2HG PRO 54 -22.053 -14.195 -4.153 414 HD2 PRO 54 1HD PRO 54 -19.920 -15.861 -4.080 415 HD3 PRO 54 2HD PRO 54 -20.832 -15.542 -5.569 416 H GLU 55 H GLU 55 -18.763 -13.687 -2.878 417 HA GLU 55 HA GLU 55 -17.515 -11.372 -1.861 418 HB2 GLU 55 1HB GLU 55 -17.275 -14.196 -0.811 419 HB3 GLU 55 2HB GLU 55 -16.987 -12.713 0.089 420 HG2 GLU 55 1HG GLU 55 -19.272 -12.152 0.099 421 HG3 GLU 55 2HG GLU 55 -19.652 -13.359 -1.128 422 H GLU 56 H GLU 56 -16.299 -14.159 -3.548 423 HA GLU 56 HA GLU 56 -13.606 -14.067 -2.822 424 HB2 GLU 56 1HB GLU 56 -15.202 -15.302 -4.902 425 HB3 GLU 56 2HB GLU 56 -13.638 -14.792 -5.521 426 HG2 GLU 56 1HG GLU 56 -13.905 -16.406 -3.009 427 HG3 GLU 56 2HG GLU 56 -13.823 -17.152 -4.604 428 H LEU 57 H LEU 57 -15.404 -12.220 -5.219 429 HA LEU 57 HA LEU 57 -13.361 -11.061 -6.660 430 HG LEU 57 HG LEU 57 -16.506 -9.997 -8.255 431 HB2 LEU 57 1HB LEU 57 -16.083 -10.156 -5.853 432 HB3 LEU 57 2HB LEU 57 -15.003 -9.005 -6.636 433 HD11 LEU 57 1HD1 LEU 57 -14.820 -9.758 -9.672 434 HD12 LEU 57 2HD1 LEU 57 -14.332 -11.419 -9.334 435 HD13 LEU 57 3HD1 LEU 57 -13.652 -10.092 -8.392 436 HD21 LEU 57 3HD2 LEU 57 -15.337 -12.626 -7.351 437 HD22 LEU 57 1HD2 LEU 57 -16.364 -12.409 -8.768 438 HD23 LEU 57 2HD2 LEU 57 -17.006 -12.087 -7.157 439 H GLN 58 H GLN 58 -14.876 -9.732 -3.716 440 HA GLN 58 HA GLN 58 -13.076 -7.577 -3.450 441 HB2 GLN 58 1HB GLN 58 -15.161 -7.418 -2.323 442 HB3 GLN 58 2HB GLN 58 -14.915 -8.952 -1.498 443 HG2 GLN 58 1HG GLN 58 -14.614 -7.148 0.054 444 HG3 GLN 58 2HG GLN 58 -13.066 -7.944 -0.227 445 HE21 GLN 58 2HE2 GLN 58 -14.624 -5.024 -0.033 446 HE22 GLN 58 1HE2 GLN 58 -13.450 -4.032 -0.821 447 H GLU 59 H GLU 59 -12.864 -10.918 -2.596 448 HA GLU 59 HA GLU 59 -10.970 -10.816 -0.540 449 HB2 GLU 59 1HB GLU 59 -12.315 -12.820 -1.564 450 HB3 GLU 59 2HB GLU 59 -10.899 -12.994 -2.592 451 HG2 GLU 59 1HG GLU 59 -10.475 -14.438 -0.835 452 HG3 GLU 59 2HG GLU 59 -9.557 -12.994 -0.409 453 H MET 60 H MET 60 -10.463 -11.230 -4.043 454 HA MET 60 HA MET 60 -7.633 -11.123 -3.877 455 HB2 MET 60 1HB MET 60 -9.578 -10.814 -6.155 456 HB3 MET 60 2HB MET 60 -7.842 -10.659 -6.389 457 HG2 MET 60 1HG MET 60 -9.173 -13.086 -5.214 458 HG3 MET 60 2HG MET 60 -8.768 -12.904 -6.919 459 HE1 MET 60 3HE MET 60 -7.753 -13.246 -3.387 460 HE2 MET 60 1HE MET 60 -7.342 -14.870 -3.941 461 HE3 MET 60 2HE MET 60 -6.071 -13.778 -3.392 462 H ILE 61 H ILE 61 -10.112 -8.714 -4.036 463 HA ILE 61 HA ILE 61 -8.392 -6.585 -4.914 464 HB ILE 61 HB ILE 61 -11.157 -6.538 -3.704 465 HG12 ILE 61 1HG1 ILE 61 -10.194 -6.101 -6.540 466 HG13 ILE 61 2HG1 ILE 61 -10.993 -7.553 -5.947 467 HG21 ILE 61 1HG2 ILE 61 -10.082 -4.458 -3.175 468 HG22 ILE 61 2HG2 ILE 61 -9.497 -4.289 -4.829 469 HG23 ILE 61 3HG2 ILE 61 -11.224 -4.182 -4.490 470 HD11 ILE 61 3HD1 ILE 61 -12.946 -6.658 -6.445 471 HD12 ILE 61 1HD1 ILE 61 -12.642 -5.356 -5.295 472 HD13 ILE 61 2HD1 ILE 61 -12.148 -5.179 -6.980 473 H ASP 62 H ASP 62 -9.200 -8.051 -1.902 474 HA ASP 62 HA ASP 62 -8.666 -5.896 -0.164 475 HB2 ASP 62 1HB ASP 62 -9.754 -8.196 0.334 476 HB3 ASP 62 2HB ASP 62 -8.100 -8.759 0.555 477 H GLU 63 H GLU 63 -6.589 -8.549 -1.309 478 HA GLU 63 HA GLU 63 -4.265 -7.600 0.032 479 HB2 GLU 63 1HB GLU 63 -4.990 -9.914 -1.356 480 HB3 GLU 63 2HB GLU 63 -3.688 -9.214 -2.306 481 HG2 GLU 63 1HG GLU 63 -3.543 -9.797 0.643 482 HG3 GLU 63 2HG GLU 63 -2.910 -10.841 -0.629 483 H VAL 64 H VAL 64 -5.810 -6.796 -2.932 484 HA VAL 64 HA VAL 64 -3.469 -5.661 -4.179 485 HB VAL 64 HB VAL 64 -6.395 -5.493 -4.907 486 HG11 VAL 64 1HG1 VAL 64 -3.965 -4.448 -6.351 487 HG12 VAL 64 2HG1 VAL 64 -5.557 -4.627 -7.091 488 HG13 VAL 64 3HG1 VAL 64 -5.332 -3.516 -5.739 489 HG21 VAL 64 3HG2 VAL 64 -6.022 -7.196 -6.425 490 HG22 VAL 64 1HG2 VAL 64 -4.283 -6.909 -6.478 491 HG23 VAL 64 2HG2 VAL 64 -5.005 -7.690 -5.071 492 H ASP 65 H ASP 65 -6.454 -4.386 -2.722 493 HA ASP 65 HA ASP 65 -5.796 -1.662 -3.019 494 HB2 ASP 65 1HB ASP 65 -8.074 -2.716 -2.466 495 HB3 ASP 65 2HB ASP 65 -7.515 -2.746 -0.795 496 H GLU 66 H GLU 66 -3.967 -0.832 -2.229 497 HA GLU 66 HA GLU 66 -2.664 -1.804 0.103 498 HB2 GLU 66 1HB GLU 66 -1.113 0.035 -0.214 499 HB3 GLU 66 2HB GLU 66 -1.461 -0.723 -1.761 500 HG2 GLU 66 1HG GLU 66 -1.565 1.498 -2.305 501 HG3 GLU 66 2HG GLU 66 -3.258 1.142 -1.970 502 H ASP 67 H ASP 67 -5.001 0.702 -0.511 503 HA ASP 67 HA ASP 67 -4.713 1.762 2.199 504 HB2 ASP 67 1HB ASP 67 -6.519 3.385 1.350 505 HB3 ASP 67 2HB ASP 67 -4.908 3.519 0.650 506 H GLY 68 H GLY 68 -6.419 -0.622 0.611 507 HA2 GLY 68 1HA GLY 68 -8.278 -1.867 1.131 508 HA3 GLY 68 2HA GLY 68 -7.946 -1.395 2.791 509 H SER 69 H SER 69 -8.872 0.679 0.077 510 HA SER 69 HA SER 69 -10.916 1.923 1.663 511 HG SER 69 HG SER 69 -9.151 2.398 -1.734 512 HB2 SER 69 1HB SER 69 -11.336 3.267 -0.394 513 HB3 SER 69 2HB SER 69 -9.644 3.278 0.100 514 H GLY 70 H GLY 70 -10.779 -0.750 -0.454 515 HA2 GLY 70 1HA GLY 70 -12.618 -2.295 -0.519 516 HA3 GLY 70 2HA GLY 70 -13.717 -0.930 -0.379 517 H THR 71 H THR 71 -11.209 -0.253 -2.511 518 HA THR 71 HA THR 71 -12.472 -1.411 -4.851 519 HB THR 71 HB THR 71 -12.431 1.004 -5.895 520 HG1 THR 71 HG1 THR 71 -13.119 1.635 -3.212 521 HG21 THR 71 3HG2 THR 71 -14.403 -0.689 -5.060 522 HG22 THR 71 1HG2 THR 71 -14.674 0.826 -5.920 523 HG23 THR 71 2HG2 THR 71 -14.786 0.779 -4.161 524 H VAL 72 H VAL 72 -11.178 -1.302 -6.731 525 HA VAL 72 HA VAL 72 -8.346 -0.893 -6.149 526 HB VAL 72 HB VAL 72 -9.856 -2.454 -8.189 527 HG11 VAL 72 1HG1 VAL 72 -8.519 -1.337 -9.725 528 HG12 VAL 72 2HG1 VAL 72 -7.159 -1.223 -8.607 529 HG13 VAL 72 3HG1 VAL 72 -7.569 -2.772 -9.344 530 HG21 VAL 72 3HG2 VAL 72 -9.073 -4.112 -6.935 531 HG22 VAL 72 1HG2 VAL 72 -7.428 -3.653 -7.374 532 HG23 VAL 72 2HG2 VAL 72 -8.183 -2.962 -5.938 533 H ASP 73 H ASP 73 -7.249 0.813 -6.853 534 HA ASP 73 HA ASP 73 -8.544 2.628 -8.753 535 HB2 ASP 73 1HB ASP 73 -7.525 3.292 -6.422 536 HB3 ASP 73 2HB ASP 73 -6.005 3.294 -7.312 537 H PHE 74 H PHE 74 -6.922 3.852 -10.196 538 HA PHE 74 HA PHE 74 -5.873 2.095 -12.072 539 HD1 PHE 74 HD1 PHE 74 -4.853 2.180 -13.941 540 HD2 PHE 74 HD2 PHE 74 -3.736 6.161 -12.935 541 HE1 PHE 74 HE1 PHE 74 -3.165 2.155 -15.731 542 HE2 PHE 74 HE2 PHE 74 -2.047 6.143 -14.723 543 HZ PHE 74 HZ PHE 74 -1.760 4.139 -16.125 544 HB2 PHE 74 1HB PHE 74 -6.401 4.369 -12.680 545 HB3 PHE 74 2HB PHE 74 -5.203 4.996 -11.553 546 H ASP 75 H ASP 75 -4.421 3.457 -9.216 547 HA ASP 75 HA ASP 75 -1.719 2.848 -9.890 548 HB2 ASP 75 1HB ASP 75 -2.590 4.514 -8.126 549 HB3 ASP 75 2HB ASP 75 -2.762 3.108 -7.078 550 H GLU 76 H GLU 76 -3.909 1.361 -7.493 551 HA GLU 76 HA GLU 76 -2.280 -0.876 -7.005 552 HB2 GLU 76 1HB GLU 76 -5.280 -0.668 -6.699 553 HB3 GLU 76 2HB GLU 76 -4.238 -1.854 -5.926 554 HG2 GLU 76 1HG GLU 76 -3.591 -0.433 -4.322 555 HG3 GLU 76 2HG GLU 76 -3.495 0.936 -5.428 556 H TRP 77 H TRP 77 -4.659 -0.207 -9.461 557 HA TRP 77 HA TRP 77 -5.065 -2.880 -10.322 558 HD1 TRP 77 HD1 TRP 77 -8.191 -2.818 -11.389 559 HE1 TRP 77 HE1 TRP 77 -8.694 -4.143 -13.537 560 HE3 TRP 77 HE3 TRP 77 -4.160 -1.386 -14.189 561 HZ2 TRP 77 HZ2 TRP 77 -7.536 -4.530 -16.082 562 HZ3 TRP 77 HZ3 TRP 77 -3.932 -2.280 -16.470 563 HH2 TRP 77 HH2 TRP 77 -5.585 -3.819 -17.395 564 HB2 TRP 77 1HB TRP 77 -6.527 -0.855 -10.829 565 HB3 TRP 77 2HB TRP 77 -5.332 -0.419 -12.048 566 H LEU 78 H LEU 78 -2.748 -0.376 -11.173 567 HA LEU 78 HA LEU 78 -1.653 -1.787 -13.406 568 HG LEU 78 HG LEU 78 -1.426 0.119 -14.761 569 HB2 LEU 78 1HB LEU 78 -1.418 0.777 -12.287 570 HB3 LEU 78 2HB LEU 78 0.196 0.072 -12.232 571 HD11 LEU 78 1HD1 LEU 78 -1.135 2.423 -13.765 572 HD12 LEU 78 2HD1 LEU 78 -0.474 2.186 -15.382 573 HD13 LEU 78 3HD1 LEU 78 0.601 2.199 -13.984 574 HD21 LEU 78 3HD2 LEU 78 1.487 -0.224 -14.089 575 HD22 LEU 78 1HD2 LEU 78 0.905 0.092 -15.724 576 HD23 LEU 78 2HD2 LEU 78 0.407 -1.374 -14.879 577 H VAL 79 H VAL 79 -0.502 -1.171 -10.092 578 HA VAL 79 HA VAL 79 1.842 -2.702 -10.266 579 HB VAL 79 HB VAL 79 1.906 -2.668 -7.855 580 HG11 VAL 79 1HG1 VAL 79 1.513 -0.355 -9.473 581 HG12 VAL 79 2HG1 VAL 79 0.836 -0.053 -7.872 582 HG13 VAL 79 3HG1 VAL 79 2.522 -0.544 -8.040 583 HG21 VAL 79 3HG2 VAL 79 -0.067 -1.661 -6.614 584 HG22 VAL 79 1HG2 VAL 79 -1.006 -1.954 -8.078 585 HG23 VAL 79 2HG2 VAL 79 -0.273 -3.306 -7.215 586 H MET 80 H MET 80 -1.475 -3.609 -9.765 587 HA MET 80 HA MET 80 -1.251 -6.063 -8.524 588 HB2 MET 80 1HB MET 80 -3.421 -5.169 -8.925 589 HB3 MET 80 2HB MET 80 -3.152 -5.111 -10.662 590 HG2 MET 80 1HG MET 80 -3.208 -7.507 -10.806 591 HG3 MET 80 2HG MET 80 -3.302 -7.646 -9.052 592 HE1 MET 80 3HE MET 80 -5.106 -4.789 -10.887 593 HE2 MET 80 1HE MET 80 -5.199 -6.005 -12.161 594 HE3 MET 80 2HE MET 80 -6.666 -5.484 -11.332 595 H MET 81 H MET 81 -0.964 -5.324 -11.986 596 HA MET 81 HA MET 81 -0.544 -7.999 -12.810 597 HB2 MET 81 1HB MET 81 -1.117 -5.787 -14.158 598 HB3 MET 81 2HB MET 81 0.630 -5.735 -14.355 599 HG2 MET 81 1HG MET 81 -0.099 -6.857 -16.243 600 HG3 MET 81 2HG MET 81 0.414 -8.154 -15.165 601 HE1 MET 81 3HE MET 81 -2.926 -6.005 -14.977 602 HE2 MET 81 1HE MET 81 -2.570 -6.195 -16.695 603 HE3 MET 81 2HE MET 81 -3.974 -6.998 -15.992 604 H ALA 82 H ALA 82 1.644 -5.378 -11.906 605 HA ALA 82 HA ALA 82 4.070 -6.485 -12.658 606 HB1 ALA 82 1HB ALA 82 3.188 -4.328 -11.014 607 HB2 ALA 82 2HB ALA 82 4.491 -5.184 -10.188 608 HB3 ALA 82 3HB ALA 82 4.745 -4.549 -11.814 609 H ARG 83 H ARG 83 2.087 -7.140 -9.829 610 HA ARG 83 HA ARG 83 3.980 -8.621 -8.363 611 HE ARG 83 HE ARG 83 1.474 -9.174 -5.148 612 HB2 ARG 83 1HB ARG 83 0.962 -8.775 -8.383 613 HB3 ARG 83 2HB ARG 83 1.988 -9.577 -7.202 614 HG2 ARG 83 1HG ARG 83 2.812 -7.436 -6.421 615 HG3 ARG 83 2HG ARG 83 1.858 -6.603 -7.649 616 HD2 ARG 83 1HD ARG 83 0.783 -6.554 -5.437 617 HD3 ARG 83 2HD ARG 83 -0.194 -7.396 -6.639 618 HH11 ARG 83 1HH1 ARG 83 -1.527 -7.410 -5.092 619 HH12 ARG 83 2HH1 ARG 83 -2.294 -8.494 -3.980 620 HH21 ARG 83 1HH2 ARG 83 0.474 -10.609 -3.684 621 HH22 ARG 83 2HH2 ARG 83 -1.155 -10.313 -3.179 622 H CYS 84 H CYS 84 2.053 -9.402 -11.121 623 HA CYS 84 HA CYS 84 2.086 -12.229 -10.842 624 HG CYS 84 HG CYS 84 1.396 -13.052 -14.546 625 HB2 CYS 84 1HB CYS 84 0.573 -10.777 -12.342 626 HB3 CYS 84 2HB CYS 84 1.919 -10.780 -13.476 627 H MET 85 H MET 85 4.477 -9.969 -11.664 628 HA MET 85 HA MET 85 6.026 -11.610 -13.416 629 HB2 MET 85 1HB MET 85 6.675 -9.128 -11.829 630 HB3 MET 85 2HB MET 85 7.846 -9.929 -12.869 631 HG2 MET 85 1HG MET 85 5.190 -9.096 -13.951 632 HG3 MET 85 2HG MET 85 6.492 -7.922 -13.770 633 HE1 MET 85 3HE MET 85 5.836 -8.748 -17.405 634 HE2 MET 85 1HE MET 85 5.266 -10.340 -16.905 635 HE3 MET 85 2HE MET 85 4.748 -8.902 -16.025 636 H LYS 86 H LYS 86 6.133 -10.864 -9.956 637 HA LYS 86 HA LYS 86 8.456 -12.444 -9.448 638 HB2 LYS 86 1HB LYS 86 7.115 -10.523 -8.051 639 HB3 LYS 86 2HB LYS 86 6.599 -11.977 -7.207 640 HG2 LYS 86 1HG LYS 86 8.522 -11.095 -6.101 641 HG3 LYS 86 2HG LYS 86 8.986 -12.591 -6.916 642 HD2 LYS 86 1HD LYS 86 10.728 -11.248 -7.543 643 HD3 LYS 86 2HD LYS 86 9.607 -10.920 -8.867 644 HE2 LYS 86 1HE LYS 86 9.290 -9.213 -6.491 645 HE3 LYS 86 2HE LYS 86 10.808 -9.011 -7.364 646 HZ1 LYS 86 3HZ LYS 86 8.894 -9.084 -9.315 647 HZ2 LYS 86 1HZ LYS 86 9.675 -7.702 -8.732 648 HZ3 LYS 86 2HZ LYS 86 8.182 -8.165 -8.087 649 H ASP 87 H ASP 87 5.316 -13.271 -10.190 650 HA ASP 87 HA ASP 87 4.041 -15.152 -9.962 651 HB2 ASP 87 1HB ASP 87 6.804 -16.383 -9.888 652 HB3 ASP 87 2HB ASP 87 5.312 -17.282 -10.150 653 H ASP 88 H ASP 88 4.393 -13.798 -7.546 654 HA ASP 88 HA ASP 88 4.134 -16.031 -5.672 655 HB2 ASP 88 1HB ASP 88 6.450 -15.061 -5.496 656 HB3 ASP 88 2HB ASP 88 5.710 -13.542 -4.998 657 H SER 89 H SER 89 2.213 -15.893 -4.743 658 HA SER 89 HA SER 89 1.244 -13.370 -3.709 659 HG SER 89 HG SER 89 0.837 -15.036 -6.694 660 HB2 SER 89 1HB SER 89 -1.039 -13.889 -4.898 661 HB3 SER 89 2HB SER 89 0.227 -13.024 -5.768 Start of MODEL 18 1 HA MET 1 HA MET 1 2.025 -3.461 -2.671 2 H1 MET 1 H MET 1 0.202 -3.590 -0.555 3 HB2 MET 1 1HB MET 1 0.039 -1.985 -2.386 4 HB3 MET 1 2HB MET 1 0.892 -1.137 -1.104 5 HG2 MET 1 1HG MET 1 2.576 -0.391 -2.655 6 HG3 MET 1 2HG MET 1 1.846 -1.338 -3.949 7 HE1 MET 1 3HE MET 1 -0.029 1.991 -1.627 8 HE2 MET 1 1HE MET 1 1.540 1.225 -1.379 9 HE3 MET 1 2HE MET 1 1.399 2.618 -2.452 10 H ASP 2 H ASP 2 4.162 -3.336 -2.661 11 HA ASP 2 HA ASP 2 5.492 -1.857 -0.499 12 HB2 ASP 2 1HB ASP 2 5.852 -4.698 -1.260 13 HB3 ASP 2 2HB ASP 2 7.328 -3.782 -0.963 14 H ASP 3 H ASP 3 7.842 -1.429 -1.066 15 HA ASP 3 HA ASP 3 7.960 -0.030 -3.508 16 HB2 ASP 3 1HB ASP 3 9.288 0.540 -1.479 17 HB3 ASP 3 2HB ASP 3 10.276 -0.889 -1.763 18 H ILE 4 H ILE 4 8.730 -3.291 -2.658 19 HA ILE 4 HA ILE 4 10.527 -3.896 -4.747 20 HB ILE 4 HB ILE 4 10.307 -5.383 -2.849 21 HG12 ILE 4 1HG1 ILE 4 9.215 -7.059 -5.064 22 HG13 ILE 4 2HG1 ILE 4 10.717 -6.185 -5.348 23 HG21 ILE 4 1HG2 ILE 4 7.522 -5.956 -3.851 24 HG22 ILE 4 2HG2 ILE 4 8.320 -6.748 -2.494 25 HG23 ILE 4 3HG2 ILE 4 7.928 -5.031 -2.405 26 HD11 ILE 4 3HD1 ILE 4 10.563 -8.661 -4.295 27 HD12 ILE 4 1HD1 ILE 4 11.901 -7.545 -4.020 28 HD13 ILE 4 2HD1 ILE 4 10.607 -7.682 -2.829 29 H TYR 5 H TYR 5 7.018 -3.867 -4.554 30 HA TYR 5 HA TYR 5 6.708 -5.039 -7.182 31 HD1 TYR 5 HD1 TYR 5 5.977 -6.951 -6.915 32 HD2 TYR 5 HD2 TYR 5 3.881 -5.293 -3.604 33 HE1 TYR 5 HE1 TYR 5 5.886 -9.174 -5.867 34 HE2 TYR 5 HE2 TYR 5 3.786 -7.512 -2.546 35 HH TYR 5 HH TYR 5 4.493 -10.369 -4.201 36 HB2 TYR 5 1HB TYR 5 4.710 -3.870 -5.239 37 HB3 TYR 5 2HB TYR 5 4.274 -4.584 -6.787 38 H LYS 6 H LYS 6 6.334 -1.864 -5.668 39 HA LYS 6 HA LYS 6 5.305 -0.493 -7.884 40 HB2 LYS 6 1HB LYS 6 6.958 0.441 -5.539 41 HB3 LYS 6 2HB LYS 6 6.310 1.545 -6.746 42 HG2 LYS 6 1HG LYS 6 4.309 1.544 -5.788 43 HG3 LYS 6 2HG LYS 6 4.261 -0.220 -5.731 44 HD2 LYS 6 1HD LYS 6 4.638 -0.180 -3.541 45 HD3 LYS 6 2HD LYS 6 6.138 0.716 -3.794 46 HE2 LYS 6 1HE LYS 6 4.309 2.682 -4.131 47 HE3 LYS 6 2HE LYS 6 3.475 1.661 -2.961 48 HZ1 LYS 6 3HZ LYS 6 4.690 3.049 -1.616 49 HZ2 LYS 6 1HZ LYS 6 6.011 3.121 -2.671 50 HZ3 LYS 6 2HZ LYS 6 5.743 1.731 -1.746 51 H ALA 7 H ALA 7 8.646 -1.060 -6.853 52 HA ALA 7 HA ALA 7 9.849 0.489 -8.902 53 HB1 ALA 7 1HB ALA 7 11.870 -1.035 -8.301 54 HB2 ALA 7 2HB ALA 7 11.261 0.120 -7.115 55 HB3 ALA 7 3HB ALA 7 10.829 -1.585 -6.988 56 H ALA 8 H ALA 8 8.438 -2.639 -8.852 57 HA ALA 8 HA ALA 8 9.884 -3.656 -11.131 58 HB1 ALA 8 1HB ALA 8 7.450 -4.680 -9.678 59 HB2 ALA 8 2HB ALA 8 8.246 -5.522 -11.007 60 HB3 ALA 8 3HB ALA 8 9.114 -5.237 -9.499 61 H VAL 9 H VAL 9 6.674 -2.300 -10.506 62 HA VAL 9 HA VAL 9 5.724 -2.643 -13.170 63 HB VAL 9 HB VAL 9 3.961 -0.978 -12.473 64 HG11 VAL 9 1HG1 VAL 9 4.177 -3.151 -10.427 65 HG12 VAL 9 2HG1 VAL 9 2.756 -2.573 -11.298 66 HG13 VAL 9 3HG1 VAL 9 3.968 -3.546 -12.133 67 HG21 VAL 9 3HG2 VAL 9 5.417 0.196 -10.821 68 HG22 VAL 9 1HG2 VAL 9 3.839 -0.273 -10.187 69 HG23 VAL 9 2HG2 VAL 9 5.272 -1.212 -9.768 70 H GLU 10 H GLU 10 7.463 -0.118 -11.484 71 HA GLU 10 HA GLU 10 7.060 1.913 -13.437 72 HB2 GLU 10 1HB GLU 10 9.034 1.559 -11.192 73 HB3 GLU 10 2HB GLU 10 9.115 2.934 -12.283 74 HG2 GLU 10 1HG GLU 10 6.704 3.392 -11.657 75 HG3 GLU 10 2HG GLU 10 6.924 2.213 -10.365 76 H GLN 11 H GLN 11 9.321 -0.706 -13.068 77 HA GLN 11 HA GLN 11 11.078 0.308 -15.147 78 HB2 GLN 11 1HB GLN 11 12.433 -1.666 -14.702 79 HB3 GLN 11 2HB GLN 11 12.040 -0.842 -13.198 80 HG2 GLN 11 1HG GLN 11 10.407 -2.479 -12.636 81 HG3 GLN 11 2HG GLN 11 10.526 -3.224 -14.230 82 HE21 GLN 11 2HE2 GLN 11 11.876 -4.868 -14.477 83 HE22 GLN 11 1HE2 GLN 11 13.095 -5.347 -13.351 84 H LEU 12 H LEU 12 8.151 -0.853 -15.352 85 HA LEU 12 HA LEU 12 8.366 -3.088 -17.090 86 HG LEU 12 HG LEU 12 6.584 -3.011 -14.840 87 HB2 LEU 12 1HB LEU 12 6.182 -1.146 -16.435 88 HB3 LEU 12 2HB LEU 12 5.975 -2.338 -17.717 89 HD11 LEU 12 1HD1 LEU 12 4.208 -3.775 -14.806 90 HD12 LEU 12 2HD1 LEU 12 3.976 -2.946 -16.344 91 HD13 LEU 12 3HD1 LEU 12 4.412 -2.026 -14.904 92 HD21 LEU 12 3HD2 LEU 12 5.929 -5.276 -15.524 93 HD22 LEU 12 1HD2 LEU 12 7.340 -4.700 -16.412 94 HD23 LEU 12 2HD2 LEU 12 5.757 -4.715 -17.188 95 H THR 13 H THR 13 7.154 -2.839 -19.338 96 HA THR 13 HA THR 13 8.750 -0.907 -20.846 97 HB THR 13 HB THR 13 8.925 -3.178 -21.638 98 HG1 THR 13 HG1 THR 13 8.831 -1.505 -23.236 99 HG21 THR 13 3HG2 THR 13 7.208 -4.583 -21.433 100 HG22 THR 13 1HG2 THR 13 6.385 -3.723 -22.733 101 HG23 THR 13 2HG2 THR 13 6.119 -3.249 -21.056 102 H GLU 14 H GLU 14 7.818 0.399 -22.497 103 HA GLU 14 HA GLU 14 5.574 1.836 -21.780 104 HB2 GLU 14 1HB GLU 14 6.614 1.454 -24.593 105 HB3 GLU 14 2HB GLU 14 5.614 2.784 -24.025 106 HG2 GLU 14 1HG GLU 14 8.403 2.177 -23.072 107 HG3 GLU 14 2HG GLU 14 7.970 3.409 -24.255 108 H GLU 15 H GLU 15 5.819 -0.972 -23.902 109 HA GLU 15 HA GLU 15 3.210 -0.950 -24.916 110 HB2 GLU 15 1HB GLU 15 4.990 -3.328 -24.352 111 HB3 GLU 15 2HB GLU 15 3.563 -3.343 -25.379 112 HG2 GLU 15 1HG GLU 15 4.593 -1.921 -26.976 113 HG3 GLU 15 2HG GLU 15 5.945 -1.586 -25.896 114 H GLN 16 H GLN 16 4.545 -2.478 -22.010 115 HA GLN 16 HA GLN 16 2.207 -3.801 -21.197 116 HB2 GLN 16 1HB GLN 16 4.657 -2.848 -19.748 117 HB3 GLN 16 2HB GLN 16 3.318 -3.564 -18.862 118 HG2 GLN 16 1HG GLN 16 4.381 -5.039 -21.205 119 HG3 GLN 16 2HG GLN 16 5.352 -5.000 -19.734 120 HE21 GLN 16 2HE2 GLN 16 2.300 -5.974 -21.129 121 HE22 GLN 16 1HE2 GLN 16 1.884 -7.121 -19.906 122 H LYS 17 H LYS 17 3.539 -0.674 -20.125 123 HA LYS 17 HA LYS 17 1.419 0.022 -18.433 124 HB2 LYS 17 1HB LYS 17 3.196 1.898 -20.002 125 HB3 LYS 17 2HB LYS 17 2.277 2.297 -18.556 126 HG2 LYS 17 1HG LYS 17 4.455 0.224 -18.617 127 HG3 LYS 17 2HG LYS 17 4.723 1.918 -18.200 128 HD2 LYS 17 1HD LYS 17 2.674 0.237 -16.785 129 HD3 LYS 17 2HD LYS 17 4.363 0.274 -16.276 130 HE2 LYS 17 1HE LYS 17 2.588 2.698 -16.542 131 HE3 LYS 17 2HE LYS 17 2.920 1.857 -15.029 132 HZ1 LYS 17 3HZ LYS 17 4.716 3.110 -14.817 133 HZ2 LYS 17 1HZ LYS 17 4.467 3.822 -16.332 134 HZ3 LYS 17 2HZ LYS 17 5.373 2.400 -16.205 135 H ASN 18 H ASN 18 1.894 0.513 -21.889 136 HA ASN 18 HA ASN 18 -0.309 2.236 -22.299 137 HB2 ASN 18 1HB ASN 18 1.456 0.577 -24.030 138 HB3 ASN 18 2HB ASN 18 -0.076 1.113 -24.713 139 HD21 ASN 18 2HD2 ASN 18 2.974 1.824 -24.851 140 HD22 ASN 18 1HD2 ASN 18 2.940 3.550 -24.917 141 H GLU 19 H GLU 19 0.040 -1.274 -22.362 142 HA GLU 19 HA GLU 19 -2.556 -1.830 -23.353 143 HB2 GLU 19 1HB GLU 19 -0.515 -3.462 -21.863 144 HB3 GLU 19 2HB GLU 19 -2.094 -4.119 -22.269 145 HG2 GLU 19 1HG GLU 19 -0.383 -2.895 -24.388 146 HG3 GLU 19 2HG GLU 19 -0.088 -4.544 -23.841 147 H PHE 20 H PHE 20 -1.204 -1.757 -20.070 148 HA PHE 20 HA PHE 20 -3.599 -2.464 -18.750 149 HD1 PHE 20 HD1 PHE 20 -2.375 -4.188 -18.636 150 HD2 PHE 20 HD2 PHE 20 0.651 -1.794 -16.840 151 HE1 PHE 20 HE1 PHE 20 -0.800 -6.073 -18.787 152 HE2 PHE 20 HE2 PHE 20 2.231 -3.674 -16.988 153 HZ PHE 20 HZ PHE 20 1.507 -5.817 -17.963 154 HB2 PHE 20 1HB PHE 20 -1.356 -0.803 -17.597 155 HB3 PHE 20 2HB PHE 20 -2.493 -1.823 -16.722 156 H LYS 21 H LYS 21 -2.071 0.693 -19.334 157 HA LYS 21 HA LYS 21 -3.964 2.288 -18.058 158 HB2 LYS 21 1HB LYS 21 -1.682 2.928 -19.075 159 HB3 LYS 21 2HB LYS 21 -2.563 3.135 -20.583 160 HG2 LYS 21 1HG LYS 21 -3.971 4.823 -19.561 161 HG3 LYS 21 2HG LYS 21 -3.163 4.582 -18.010 162 HD2 LYS 21 1HD LYS 21 -1.003 5.135 -19.351 163 HD3 LYS 21 2HD LYS 21 -2.122 5.846 -20.516 164 HE2 LYS 21 1HE LYS 21 -3.097 7.149 -18.577 165 HE3 LYS 21 2HE LYS 21 -1.716 6.599 -17.630 166 HZ1 LYS 21 3HZ LYS 21 -0.417 7.555 -19.683 167 HZ2 LYS 21 1HZ LYS 21 -0.913 8.560 -18.415 168 HZ3 LYS 21 2HZ LYS 21 -1.808 8.504 -19.849 169 H ALA 22 H ALA 22 -4.056 0.710 -21.158 170 HA ALA 22 HA ALA 22 -6.316 2.212 -22.129 171 HB1 ALA 22 1HB ALA 22 -6.133 0.990 -24.090 172 HB2 ALA 22 2HB ALA 22 -4.468 1.045 -23.510 173 HB3 ALA 22 3HB ALA 22 -5.436 -0.409 -23.273 174 H ALA 23 H ALA 23 -5.876 -1.254 -21.387 175 HA ALA 23 HA ALA 23 -8.549 -1.977 -21.425 176 HB1 ALA 23 1HB ALA 23 -6.092 -3.186 -20.687 177 HB2 ALA 23 2HB ALA 23 -7.263 -3.505 -19.407 178 HB3 ALA 23 3HB ALA 23 -7.629 -3.963 -21.070 179 H PHE 24 H PHE 24 -6.655 -0.537 -18.837 180 HA PHE 24 HA PHE 24 -8.513 -0.913 -16.752 181 HD1 PHE 24 HD1 PHE 24 -7.271 -0.478 -14.017 182 HD2 PHE 24 HD2 PHE 24 -7.475 3.105 -16.307 183 HE1 PHE 24 HE1 PHE 24 -7.972 0.761 -12.010 184 HE2 PHE 24 HE2 PHE 24 -8.175 4.349 -14.304 185 HZ PHE 24 HZ PHE 24 -8.424 3.178 -12.151 186 HB2 PHE 24 1HB PHE 24 -6.252 -0.333 -16.203 187 HB3 PHE 24 2HB PHE 24 -6.341 1.146 -17.153 188 H ASP 25 H ASP 25 -8.029 1.742 -19.044 189 HA ASP 25 HA ASP 25 -10.007 3.448 -17.957 190 HB2 ASP 25 1HB ASP 25 -8.106 4.008 -19.612 191 HB3 ASP 25 2HB ASP 25 -9.213 3.441 -20.859 192 H ILE 26 H ILE 26 -10.094 0.872 -20.339 193 HA ILE 26 HA ILE 26 -12.714 1.398 -21.300 194 HB ILE 26 HB ILE 26 -11.122 -1.168 -21.322 195 HG12 ILE 26 1HG1 ILE 26 -11.534 0.986 -23.406 196 HG13 ILE 26 2HG1 ILE 26 -10.033 0.616 -22.565 197 HG21 ILE 26 1HG2 ILE 26 -13.625 -0.433 -22.835 198 HG22 ILE 26 2HG2 ILE 26 -12.672 -1.896 -23.078 199 HG23 ILE 26 3HG2 ILE 26 -13.498 -1.627 -21.544 200 HD11 ILE 26 3HD1 ILE 26 -10.770 -1.786 -23.721 201 HD12 ILE 26 1HD1 ILE 26 -11.165 -0.572 -24.938 202 HD13 ILE 26 2HD1 ILE 26 -9.527 -0.673 -24.292 203 H PHE 27 H PHE 27 -11.446 -0.340 -18.559 204 HA PHE 27 HA PHE 27 -13.903 -1.719 -17.979 205 HD1 PHE 27 HD2 PHE 27 -11.592 -2.645 -19.227 206 HD2 PHE 27 HD1 PHE 27 -12.332 -4.285 -15.369 207 HE1 PHE 27 HE2 PHE 27 -11.233 -4.908 -20.124 208 HE2 PHE 27 HE1 PHE 27 -11.973 -6.550 -16.260 209 HZ PHE 27 HZ PHE 27 -11.424 -6.864 -18.640 210 HB2 PHE 27 1HB PHE 27 -11.245 -1.441 -16.635 211 HB3 PHE 27 2HB PHE 27 -12.616 -2.026 -15.699 212 H VAL 28 H VAL 28 -12.269 1.192 -16.856 213 HA VAL 28 HA VAL 28 -14.284 1.723 -14.845 214 HB VAL 28 HB VAL 28 -13.035 3.752 -14.365 215 HG11 VAL 28 1HG1 VAL 28 -11.930 1.100 -14.300 216 HG12 VAL 28 2HG1 VAL 28 -10.643 2.299 -14.443 217 HG13 VAL 28 3HG1 VAL 28 -11.798 2.396 -13.112 218 HG21 VAL 28 3HG2 VAL 28 -10.795 3.956 -15.710 219 HG22 VAL 28 1HG2 VAL 28 -11.707 3.102 -16.955 220 HG23 VAL 28 2HG2 VAL 28 -12.286 4.653 -16.346 221 H LEU 29 H LEU 29 -14.418 1.876 -18.051 222 HA LEU 29 HA LEU 29 -15.210 4.447 -18.750 223 HG LEU 29 HG LEU 29 -13.836 3.167 -20.747 224 HB2 LEU 29 1HB LEU 29 -15.596 1.738 -19.823 225 HB3 LEU 29 2HB LEU 29 -16.813 2.914 -20.316 226 HD11 LEU 29 1HD1 LEU 29 -15.691 3.043 -23.023 227 HD12 LEU 29 2HD1 LEU 29 -15.514 1.545 -22.110 228 HD13 LEU 29 3HD1 LEU 29 -14.095 2.322 -22.812 229 HD21 LEU 29 3HD2 LEU 29 -16.144 5.000 -21.218 230 HD22 LEU 29 1HD2 LEU 29 -14.773 5.022 -22.327 231 HD23 LEU 29 2HD2 LEU 29 -14.526 5.359 -20.614 232 H GLY 30 H GLY 30 -16.855 2.043 -16.888 233 HA2 GLY 30 1HA GLY 30 -19.437 3.375 -17.156 234 HA3 GLY 30 2HA GLY 30 -19.118 1.891 -16.271 235 H ALA 31 H ALA 31 -16.773 3.211 -14.937 236 HA ALA 31 HA ALA 31 -18.198 4.174 -12.654 237 HB1 ALA 31 1HB ALA 31 -16.252 2.965 -12.167 238 HB2 ALA 31 2HB ALA 31 -15.281 3.896 -13.308 239 HB3 ALA 31 3HB ALA 31 -15.836 4.641 -11.809 240 H GLU 32 H GLU 32 -17.158 6.243 -11.557 241 HA GLU 32 HA GLU 32 -17.438 8.410 -13.525 242 HB2 GLU 32 1HB GLU 32 -19.056 8.164 -11.534 243 HB3 GLU 32 2HB GLU 32 -17.715 8.729 -10.547 244 HG2 GLU 32 1HG GLU 32 -17.796 10.845 -11.392 245 HG3 GLU 32 2HG GLU 32 -18.466 10.322 -12.936 246 H ASP 33 H ASP 33 -15.760 7.768 -10.442 247 HA ASP 33 HA ASP 33 -13.804 9.794 -10.891 248 HB2 ASP 33 1HB ASP 33 -13.651 7.471 -8.961 249 HB3 ASP 33 2HB ASP 33 -12.753 8.984 -8.873 250 H GLY 34 H GLY 34 -14.056 6.415 -11.669 251 HA2 GLY 34 1HA GLY 34 -12.728 5.550 -13.491 252 HA3 GLY 34 2HA GLY 34 -11.410 6.583 -12.957 253 H CYS 35 H CYS 35 -13.488 4.058 -11.526 254 HA CYS 35 HA CYS 35 -11.081 2.587 -10.760 255 HG CYS 35 HG CYS 35 -14.719 2.887 -8.509 256 HB2 CYS 35 1HB CYS 35 -12.117 2.210 -8.468 257 HB3 CYS 35 2HB CYS 35 -11.455 3.813 -8.765 258 H ILE 36 H ILE 36 -11.822 0.436 -9.649 259 HA ILE 36 HA ILE 36 -14.235 -0.584 -10.980 260 HB ILE 36 HB ILE 36 -11.579 -2.020 -10.915 261 HG12 ILE 36 1HG1 ILE 36 -12.643 -1.604 -13.545 262 HG13 ILE 36 2HG1 ILE 36 -12.565 -0.057 -12.708 263 HG21 ILE 36 1HG2 ILE 36 -13.221 -3.677 -10.789 264 HG22 ILE 36 2HG2 ILE 36 -14.312 -2.806 -11.865 265 HG23 ILE 36 3HG2 ILE 36 -12.856 -3.564 -12.510 266 HD11 ILE 36 3HD1 ILE 36 -10.432 0.034 -13.281 267 HD12 ILE 36 1HD1 ILE 36 -10.137 -1.291 -12.156 268 HD13 ILE 36 2HD1 ILE 36 -10.453 -1.632 -13.857 269 H SER 37 H SER 37 -15.546 -1.156 -9.376 270 HA SER 37 HA SER 37 -14.464 -2.166 -6.871 271 HG SER 37 HG SER 37 -17.408 0.155 -7.416 272 HB2 SER 37 1HB SER 37 -17.403 -1.978 -7.376 273 HB3 SER 37 2HB SER 37 -16.491 -1.632 -5.906 274 H THR 38 H THR 38 -14.973 -4.176 -5.979 275 HA THR 38 HA THR 38 -14.905 -6.379 -7.632 276 HB THR 38 HB THR 38 -14.324 -6.731 -5.371 277 HG1 THR 38 HG1 THR 38 -16.838 -7.991 -5.344 278 HG21 THR 38 3HG2 THR 38 -15.290 -5.453 -3.815 279 HG22 THR 38 1HG2 THR 38 -16.647 -6.578 -3.841 280 HG23 THR 38 2HG2 THR 38 -16.681 -5.132 -4.851 281 H LYS 39 H LYS 39 -17.658 -4.529 -6.573 282 HA LYS 39 HA LYS 39 -19.688 -6.402 -7.116 283 HB2 LYS 39 1HB LYS 39 -19.581 -3.421 -6.880 284 HB3 LYS 39 2HB LYS 39 -21.043 -4.179 -7.498 285 HG2 LYS 39 1HG LYS 39 -21.525 -5.200 -5.492 286 HG3 LYS 39 2HG LYS 39 -19.848 -5.153 -4.944 287 HD2 LYS 39 1HD LYS 39 -19.978 -2.796 -4.540 288 HD3 LYS 39 2HD LYS 39 -21.569 -2.703 -5.299 289 HE2 LYS 39 1HE LYS 39 -22.039 -2.691 -3.014 290 HE3 LYS 39 2HE LYS 39 -22.307 -4.368 -3.490 291 HZ1 LYS 39 3HZ LYS 39 -20.126 -3.219 -1.892 292 HZ2 LYS 39 1HZ LYS 39 -19.833 -4.620 -2.794 293 HZ3 LYS 39 2HZ LYS 39 -21.042 -4.613 -1.612 294 H GLU 40 H GLU 40 -18.322 -3.801 -9.124 295 HA GLU 40 HA GLU 40 -19.884 -4.557 -11.415 296 HB2 GLU 40 1HB GLU 40 -17.494 -2.714 -11.264 297 HB3 GLU 40 2HB GLU 40 -18.642 -2.825 -12.591 298 HG2 GLU 40 1HG GLU 40 -19.437 -0.985 -11.512 299 HG3 GLU 40 2HG GLU 40 -20.383 -2.246 -10.723 300 H LEU 41 H LEU 41 -16.540 -4.973 -10.357 301 HA LEU 41 HA LEU 41 -15.405 -6.009 -12.650 302 HG LEU 41 HG LEU 41 -13.741 -8.459 -10.969 303 HB2 LEU 41 1HB LEU 41 -14.118 -5.498 -10.663 304 HB3 LEU 41 2HB LEU 41 -14.913 -6.802 -9.784 305 HD11 LEU 41 1HD1 LEU 41 -12.079 -7.449 -12.823 306 HD12 LEU 41 2HD1 LEU 41 -13.436 -6.337 -12.992 307 HD13 LEU 41 3HD1 LEU 41 -13.688 -8.071 -13.189 308 HD21 LEU 41 3HD2 LEU 41 -12.314 -7.525 -9.335 309 HD22 LEU 41 1HD2 LEU 41 -11.963 -6.116 -10.338 310 HD23 LEU 41 2HD2 LEU 41 -11.333 -7.700 -10.792 311 H GLY 42 H GLY 42 -17.603 -7.522 -10.397 312 HA2 GLY 42 1HA GLY 42 -17.182 -10.192 -11.382 313 HA3 GLY 42 2HA GLY 42 -18.459 -9.669 -10.293 314 H LYS 43 H LYS 43 -19.316 -7.544 -12.167 315 HA LYS 43 HA LYS 43 -21.235 -9.068 -13.607 316 HB2 LYS 43 1HB LYS 43 -20.696 -6.255 -13.066 317 HB3 LYS 43 2HB LYS 43 -21.285 -6.519 -14.702 318 HG2 LYS 43 1HG LYS 43 -23.113 -7.947 -13.529 319 HG3 LYS 43 2HG LYS 43 -22.644 -7.029 -12.096 320 HD2 LYS 43 1HD LYS 43 -22.889 -4.993 -13.773 321 HD3 LYS 43 2HD LYS 43 -23.975 -6.116 -14.594 322 HE2 LYS 43 1HE LYS 43 -24.213 -5.614 -11.649 323 HE3 LYS 43 2HE LYS 43 -24.946 -4.515 -12.816 324 HZ1 LYS 43 3HZ LYS 43 -26.210 -6.349 -13.719 325 HZ2 LYS 43 1HZ LYS 43 -26.499 -6.218 -12.057 326 HZ3 LYS 43 2HZ LYS 43 -25.478 -7.432 -12.645 327 H VAL 44 H VAL 44 -18.338 -7.267 -14.555 328 HA VAL 44 HA VAL 44 -18.607 -7.583 -17.335 329 HB VAL 44 HB VAL 44 -16.076 -7.296 -15.710 330 HG11 VAL 44 1HG1 VAL 44 -15.134 -6.406 -17.837 331 HG12 VAL 44 2HG1 VAL 44 -15.527 -8.125 -17.891 332 HG13 VAL 44 3HG1 VAL 44 -16.596 -6.950 -18.658 333 HG21 VAL 44 3HG2 VAL 44 -17.681 -5.471 -15.366 334 HG22 VAL 44 1HG2 VAL 44 -16.243 -4.925 -16.229 335 HG23 VAL 44 2HG2 VAL 44 -17.746 -5.207 -17.108 336 H MET 45 H MET 45 -17.437 -9.719 -14.846 337 HA MET 45 HA MET 45 -15.880 -11.494 -16.277 338 HB2 MET 45 1HB MET 45 -17.818 -12.056 -14.029 339 HB3 MET 45 2HB MET 45 -16.629 -13.210 -14.617 340 HG2 MET 45 1HG MET 45 -15.536 -10.589 -13.902 341 HG3 MET 45 2HG MET 45 -16.243 -11.488 -12.562 342 HE1 MET 45 3HE MET 45 -14.721 -13.504 -15.594 343 HE2 MET 45 1HE MET 45 -13.976 -11.908 -15.696 344 HE3 MET 45 2HE MET 45 -12.996 -13.313 -15.276 345 H ARG 46 H ARG 46 -19.331 -11.062 -16.323 346 HA ARG 46 HA ARG 46 -20.070 -13.532 -17.456 347 HE ARG 46 HE ARG 46 -24.290 -14.264 -15.143 348 HB2 ARG 46 1HB ARG 46 -21.341 -10.804 -17.460 349 HB3 ARG 46 2HB ARG 46 -22.072 -12.159 -18.310 350 HG2 ARG 46 1HG ARG 46 -21.522 -13.161 -15.787 351 HG3 ARG 46 2HG ARG 46 -22.088 -11.515 -15.494 352 HD2 ARG 46 1HD ARG 46 -24.186 -12.120 -15.906 353 HD3 ARG 46 2HD ARG 46 -23.728 -12.751 -17.488 354 HH11 ARG 46 1HH1 ARG 46 -22.332 -14.204 -18.021 355 HH12 ARG 46 2HH1 ARG 46 -22.158 -15.926 -18.095 356 HH21 ARG 46 1HH2 ARG 46 -24.067 -16.532 -15.230 357 HH22 ARG 46 2HH2 ARG 46 -23.145 -17.250 -16.508 358 H MET 47 H MET 47 -19.058 -10.470 -18.897 359 HA MET 47 HA MET 47 -19.602 -11.112 -21.576 360 HB2 MET 47 1HB MET 47 -17.388 -9.327 -20.554 361 HB3 MET 47 2HB MET 47 -18.124 -9.283 -22.151 362 HG2 MET 47 1HG MET 47 -20.317 -8.830 -20.845 363 HG3 MET 47 2HG MET 47 -19.231 -8.378 -19.533 364 HE1 MET 47 3HE MET 47 -20.866 -5.264 -20.994 365 HE2 MET 47 1HE MET 47 -21.161 -6.262 -22.417 366 HE3 MET 47 2HE MET 47 -21.432 -6.924 -20.805 367 H LEU 48 H LEU 48 -16.902 -11.878 -19.485 368 HA LEU 48 HA LEU 48 -15.159 -12.776 -21.558 369 HG LEU 48 HG LEU 48 -12.920 -12.175 -20.400 370 HB2 LEU 48 1HB LEU 48 -15.206 -12.923 -18.587 371 HB3 LEU 48 2HB LEU 48 -14.137 -14.017 -19.463 372 HD11 LEU 48 1HD1 LEU 48 -14.328 -10.453 -20.893 373 HD12 LEU 48 2HD1 LEU 48 -13.627 -9.835 -19.399 374 HD13 LEU 48 3HD1 LEU 48 -15.218 -10.596 -19.377 375 HD21 LEU 48 3HD2 LEU 48 -12.881 -12.864 -17.767 376 HD22 LEU 48 1HD2 LEU 48 -13.101 -11.117 -17.673 377 HD23 LEU 48 2HD2 LEU 48 -11.721 -11.786 -18.545 378 H GLY 49 H GLY 49 -17.779 -14.187 -19.795 379 HA2 GLY 49 1HA GLY 49 -18.877 -16.122 -20.740 380 HA3 GLY 49 2HA GLY 49 -17.297 -16.723 -21.221 381 H GLN 50 H GLN 50 -17.362 -15.346 -18.114 382 HA GLN 50 HA GLN 50 -17.731 -17.984 -16.869 383 HB2 GLN 50 1HB GLN 50 -15.460 -16.049 -16.517 384 HB3 GLN 50 2HB GLN 50 -15.881 -17.186 -15.243 385 HG2 GLN 50 1HG GLN 50 -15.722 -18.937 -17.186 386 HG3 GLN 50 2HG GLN 50 -14.720 -17.694 -17.932 387 HE21 GLN 50 2HE2 GLN 50 -13.017 -16.779 -16.421 388 HE22 GLN 50 1HE2 GLN 50 -12.149 -17.925 -15.463 389 H ASN 51 H ASN 51 -18.355 -17.938 -14.634 390 HA ASN 51 HA ASN 51 -19.291 -15.366 -13.607 391 HB2 ASN 51 1HB ASN 51 -21.499 -16.379 -13.025 392 HB3 ASN 51 2HB ASN 51 -21.235 -16.216 -14.758 393 HD21 ASN 51 2HD2 ASN 51 -20.583 -18.120 -15.936 394 HD22 ASN 51 1HD2 ASN 51 -21.095 -19.676 -15.387 395 HA PRO 52 HA PRO 52 -17.288 -18.148 -10.440 396 HB2 PRO 52 1HB PRO 52 -15.514 -16.291 -9.560 397 HB3 PRO 52 2HB PRO 52 -15.181 -17.369 -10.921 398 HG2 PRO 52 1HG PRO 52 -16.098 -14.519 -10.942 399 HG3 PRO 52 2HG PRO 52 -14.872 -15.307 -11.951 400 HD2 PRO 52 1HD PRO 52 -17.386 -14.820 -12.829 401 HD3 PRO 52 2HD PRO 52 -16.444 -16.225 -13.365 402 H THR 53 H THR 53 -16.642 -17.188 -8.070 403 HA THR 53 HA THR 53 -19.152 -16.158 -7.052 404 HB THR 53 HB THR 53 -17.865 -18.046 -5.957 405 HG1 THR 53 HG1 THR 53 -19.155 -17.435 -4.403 406 HG21 THR 53 3HG2 THR 53 -15.825 -17.751 -5.067 407 HG22 THR 53 1HG2 THR 53 -16.243 -16.174 -4.401 408 HG23 THR 53 2HG2 THR 53 -15.742 -16.314 -6.086 409 HA PRO 54 HA PRO 54 -17.878 -11.957 -6.697 410 HB2 PRO 54 1HB PRO 54 -19.576 -11.162 -4.734 411 HB3 PRO 54 2HB PRO 54 -20.102 -11.466 -6.394 412 HG2 PRO 54 1HG PRO 54 -20.299 -13.239 -3.989 413 HG3 PRO 54 2HG PRO 54 -21.506 -12.925 -5.250 414 HD2 PRO 54 1HD PRO 54 -19.973 -15.156 -5.225 415 HD3 PRO 54 2HD PRO 54 -20.527 -14.396 -6.730 416 H GLU 55 H GLU 55 -18.214 -13.851 -3.715 417 HA GLU 55 HA GLU 55 -16.841 -12.171 -1.975 418 HB2 GLU 55 1HB GLU 55 -16.766 -15.190 -1.922 419 HB3 GLU 55 2HB GLU 55 -16.527 -14.101 -0.563 420 HG2 GLU 55 1HG GLU 55 -18.924 -13.290 -1.111 421 HG3 GLU 55 2HG GLU 55 -19.049 -14.812 -1.991 422 H GLU 56 H GLU 56 -15.648 -14.353 -4.420 423 HA GLU 56 HA GLU 56 -12.959 -14.473 -3.529 424 HB2 GLU 56 1HB GLU 56 -13.785 -16.139 -5.062 425 HB3 GLU 56 2HB GLU 56 -14.186 -14.910 -6.253 426 HG2 GLU 56 1HG GLU 56 -11.366 -15.206 -5.333 427 HG3 GLU 56 2HG GLU 56 -12.029 -16.337 -6.511 428 H LEU 57 H LEU 57 -14.614 -12.446 -5.928 429 HA LEU 57 HA LEU 57 -12.472 -11.033 -6.931 430 HG LEU 57 HG LEU 57 -13.773 -11.003 -8.867 431 HB2 LEU 57 1HB LEU 57 -15.325 -10.274 -6.424 432 HB3 LEU 57 2HB LEU 57 -14.188 -9.110 -7.101 433 HD11 LEU 57 1HD1 LEU 57 -15.064 -12.794 -8.679 434 HD12 LEU 57 2HD1 LEU 57 -16.472 -11.772 -8.968 435 HD13 LEU 57 3HD1 LEU 57 -15.928 -12.077 -7.319 436 HD21 LEU 57 3HD2 LEU 57 -14.772 -8.709 -9.183 437 HD22 LEU 57 1HD2 LEU 57 -16.354 -9.460 -8.972 438 HD23 LEU 57 2HD2 LEU 57 -15.320 -9.945 -10.316 439 H GLN 58 H GLN 58 -14.511 -10.076 -4.164 440 HA GLN 58 HA GLN 58 -12.955 -7.843 -3.441 441 HB2 GLN 58 1HB GLN 58 -15.174 -7.935 -2.617 442 HB3 GLN 58 2HB GLN 58 -14.933 -9.533 -1.924 443 HG2 GLN 58 1HG GLN 58 -14.995 -7.906 -0.167 444 HG3 GLN 58 2HG GLN 58 -13.363 -8.560 -0.295 445 HE21 GLN 58 2HE2 GLN 58 -13.568 -6.303 1.045 446 HE22 GLN 58 1HE2 GLN 58 -12.999 -4.954 0.129 447 H GLU 59 H GLU 59 -12.586 -11.229 -2.842 448 HA GLU 59 HA GLU 59 -10.993 -11.165 -0.537 449 HB2 GLU 59 1HB GLU 59 -12.045 -13.161 -1.914 450 HB3 GLU 59 2HB GLU 59 -10.459 -13.183 -2.673 451 HG2 GLU 59 1HG GLU 59 -9.385 -13.794 -0.725 452 HG3 GLU 59 2HG GLU 59 -10.687 -13.196 0.302 453 H MET 60 H MET 60 -9.998 -11.323 -3.957 454 HA MET 60 HA MET 60 -7.233 -11.019 -3.393 455 HB2 MET 60 1HB MET 60 -8.908 -10.854 -5.872 456 HB3 MET 60 2HB MET 60 -7.224 -10.353 -5.920 457 HG2 MET 60 1HG MET 60 -6.804 -12.680 -4.816 458 HG3 MET 60 2HG MET 60 -8.384 -13.061 -5.497 459 HE1 MET 60 3HE MET 60 -5.501 -14.761 -7.113 460 HE2 MET 60 1HE MET 60 -4.448 -13.345 -7.112 461 HE3 MET 60 2HE MET 60 -5.302 -13.810 -5.640 462 H ILE 61 H ILE 61 -9.832 -8.776 -4.125 463 HA ILE 61 HA ILE 61 -8.212 -6.498 -4.580 464 HB ILE 61 HB ILE 61 -11.093 -6.746 -3.723 465 HG12 ILE 61 1HG1 ILE 61 -9.804 -6.021 -6.364 466 HG13 ILE 61 2HG1 ILE 61 -10.577 -7.556 -5.983 467 HG21 ILE 61 1HG2 ILE 61 -11.280 -4.346 -4.348 468 HG22 ILE 61 2HG2 ILE 61 -10.305 -4.634 -2.908 469 HG23 ILE 61 3HG2 ILE 61 -9.521 -4.280 -4.447 470 HD11 ILE 61 3HD1 ILE 61 -12.365 -6.639 -6.951 471 HD12 ILE 61 1HD1 ILE 61 -12.565 -5.797 -5.415 472 HD13 ILE 61 2HD1 ILE 61 -11.751 -4.997 -6.760 473 H ASP 62 H ASP 62 -9.227 -8.132 -1.721 474 HA ASP 62 HA ASP 62 -9.054 -6.005 0.125 475 HB2 ASP 62 1HB ASP 62 -10.148 -8.110 0.696 476 HB3 ASP 62 2HB ASP 62 -8.619 -8.971 0.536 477 H GLU 63 H GLU 63 -6.680 -8.495 -0.797 478 HA GLU 63 HA GLU 63 -4.597 -7.386 0.800 479 HB2 GLU 63 1HB GLU 63 -4.945 -9.651 -0.996 480 HB3 GLU 63 2HB GLU 63 -3.365 -8.901 -1.176 481 HG2 GLU 63 1HG GLU 63 -3.601 -10.805 0.502 482 HG3 GLU 63 2HG GLU 63 -2.763 -9.345 1.024 483 H VAL 64 H VAL 64 -5.839 -6.707 -2.333 484 HA VAL 64 HA VAL 64 -3.452 -5.430 -3.325 485 HB VAL 64 HB VAL 64 -6.283 -5.405 -4.377 486 HG11 VAL 64 1HG1 VAL 64 -5.640 -3.702 -5.656 487 HG12 VAL 64 2HG1 VAL 64 -3.973 -3.824 -5.090 488 HG13 VAL 64 3HG1 VAL 64 -4.520 -4.811 -6.446 489 HG21 VAL 64 3HG2 VAL 64 -4.059 -6.774 -5.778 490 HG22 VAL 64 1HG2 VAL 64 -4.683 -7.532 -4.313 491 HG23 VAL 64 2HG2 VAL 64 -5.765 -7.205 -5.667 492 H ASP 65 H ASP 65 -6.698 -4.280 -2.397 493 HA ASP 65 HA ASP 65 -6.003 -1.533 -2.518 494 HB2 ASP 65 1HB ASP 65 -8.354 -3.022 -2.165 495 HB3 ASP 65 2HB ASP 65 -8.191 -2.054 -0.702 496 H GLU 66 H GLU 66 -4.164 -1.152 -1.303 497 HA GLU 66 HA GLU 66 -3.870 -1.998 1.396 498 HB2 GLU 66 1HB GLU 66 -1.922 -0.524 1.443 499 HB3 GLU 66 2HB GLU 66 -1.939 -1.492 -0.025 500 HG2 GLU 66 1HG GLU 66 -1.373 0.557 -0.859 501 HG3 GLU 66 2HG GLU 66 -3.125 0.595 -1.045 502 H ASP 67 H ASP 67 -5.400 0.698 -0.126 503 HA ASP 67 HA ASP 67 -5.572 2.189 2.380 504 HB2 ASP 67 1HB ASP 67 -6.834 3.844 0.866 505 HB3 ASP 67 2HB ASP 67 -5.108 3.633 0.586 506 H GLY 68 H GLY 68 -7.261 -0.208 0.792 507 HA2 GLY 68 1HA GLY 68 -9.365 -1.094 1.033 508 HA3 GLY 68 2HA GLY 68 -9.361 -0.321 2.611 509 H SER 69 H SER 69 -9.263 1.203 -0.583 510 HA SER 69 HA SER 69 -11.298 3.064 0.135 511 HG SER 69 HG SER 69 -8.894 4.110 -0.980 512 HB2 SER 69 1HB SER 69 -10.499 2.577 -2.714 513 HB3 SER 69 2HB SER 69 -10.874 4.099 -1.905 514 H GLY 70 H GLY 70 -11.307 -0.074 -1.269 515 HA2 GLY 70 1HA GLY 70 -13.352 -1.335 -1.321 516 HA3 GLY 70 2HA GLY 70 -14.215 0.156 -1.667 517 H THR 71 H THR 71 -11.630 0.470 -3.540 518 HA THR 71 HA THR 71 -12.493 -1.285 -5.705 519 HB THR 71 HB THR 71 -12.843 0.443 -7.304 520 HG1 THR 71 HG1 THR 71 -11.802 2.132 -5.281 521 HG21 THR 71 3HG2 THR 71 -14.750 -0.018 -5.804 522 HG22 THR 71 1HG2 THR 71 -14.754 1.640 -6.402 523 HG23 THR 71 2HG2 THR 71 -14.222 1.298 -4.756 524 H VAL 72 H VAL 72 -11.011 -1.152 -7.596 525 HA VAL 72 HA VAL 72 -8.262 -0.717 -6.659 526 HB VAL 72 HB VAL 72 -9.467 -2.542 -8.701 527 HG11 VAL 72 1HG1 VAL 72 -6.651 -1.495 -8.691 528 HG12 VAL 72 2HG1 VAL 72 -7.077 -3.049 -9.410 529 HG13 VAL 72 3HG1 VAL 72 -7.793 -1.562 -10.032 530 HG21 VAL 72 3HG2 VAL 72 -7.393 -3.802 -7.386 531 HG22 VAL 72 1HG2 VAL 72 -8.086 -2.749 -6.152 532 HG23 VAL 72 2HG2 VAL 72 -9.106 -3.924 -6.983 533 H ASP 73 H ASP 73 -6.956 0.746 -7.582 534 HA ASP 73 HA ASP 73 -8.067 2.388 -9.735 535 HB2 ASP 73 1HB ASP 73 -6.966 3.188 -7.429 536 HB3 ASP 73 2HB ASP 73 -5.507 3.121 -8.413 537 H PHE 74 H PHE 74 -6.073 3.414 -11.064 538 HA PHE 74 HA PHE 74 -5.219 1.400 -12.808 539 HD1 PHE 74 HD1 PHE 74 -4.065 1.123 -14.442 540 HD2 PHE 74 HD2 PHE 74 -2.694 5.135 -14.072 541 HE1 PHE 74 HE1 PHE 74 -2.410 0.718 -16.217 542 HE2 PHE 74 HE2 PHE 74 -1.038 4.737 -15.847 543 HZ PHE 74 HZ PHE 74 -0.895 2.526 -16.923 544 HB2 PHE 74 1HB PHE 74 -5.421 3.720 -13.524 545 HB3 PHE 74 2HB PHE 74 -4.130 4.196 -12.425 546 H ASP 75 H ASP 75 -3.647 2.898 -10.049 547 HA ASP 75 HA ASP 75 -1.076 1.765 -10.513 548 HB2 ASP 75 1HB ASP 75 -0.740 2.349 -8.047 549 HB3 ASP 75 2HB ASP 75 -1.117 3.683 -9.135 550 H GLU 76 H GLU 76 -3.669 0.946 -8.207 551 HA GLU 76 HA GLU 76 -2.424 -1.372 -7.202 552 HB2 GLU 76 1HB GLU 76 -5.291 -0.451 -7.248 553 HB3 GLU 76 2HB GLU 76 -4.815 -1.974 -6.510 554 HG2 GLU 76 1HG GLU 76 -3.692 -0.951 -4.790 555 HG3 GLU 76 2HG GLU 76 -3.416 0.529 -5.707 556 H TRP 77 H TRP 77 -4.471 -0.802 -9.979 557 HA TRP 77 HA TRP 77 -5.061 -3.530 -10.522 558 HD1 TRP 77 HD1 TRP 77 -8.061 -3.427 -11.959 559 HE1 TRP 77 HE1 TRP 77 -8.419 -4.938 -14.012 560 HE3 TRP 77 HE3 TRP 77 -3.664 -2.526 -14.406 561 HZ2 TRP 77 HZ2 TRP 77 -7.022 -5.653 -16.358 562 HZ3 TRP 77 HZ3 TRP 77 -3.252 -3.663 -16.549 563 HH2 TRP 77 HH2 TRP 77 -4.897 -5.195 -17.502 564 HB2 TRP 77 1HB TRP 77 -6.337 -1.529 -11.393 565 HB3 TRP 77 2HB TRP 77 -5.009 -1.264 -12.519 566 H LEU 78 H LEU 78 -2.443 -1.374 -11.385 567 HA LEU 78 HA LEU 78 -1.328 -3.076 -13.395 568 HG LEU 78 HG LEU 78 -0.477 -1.473 -14.897 569 HB2 LEU 78 1HB LEU 78 -0.963 -0.468 -12.617 570 HB3 LEU 78 2HB LEU 78 0.520 -1.246 -12.066 571 HD11 LEU 78 1HD1 LEU 78 1.750 0.360 -14.259 572 HD12 LEU 78 2HD1 LEU 78 0.126 0.915 -13.852 573 HD13 LEU 78 3HD1 LEU 78 0.513 0.463 -15.512 574 HD21 LEU 78 3HD2 LEU 78 2.185 -1.697 -15.015 575 HD22 LEU 78 1HD2 LEU 78 1.116 -3.076 -14.757 576 HD23 LEU 78 2HD2 LEU 78 1.921 -2.315 -13.384 577 H VAL 79 H VAL 79 -0.461 -2.347 -10.022 578 HA VAL 79 HA VAL 79 1.743 -4.050 -9.825 579 HB VAL 79 HB VAL 79 1.340 -4.031 -7.382 580 HG11 VAL 79 1HG1 VAL 79 1.845 -1.824 -9.089 581 HG12 VAL 79 2HG1 VAL 79 0.894 -1.246 -7.719 582 HG13 VAL 79 3HG1 VAL 79 2.417 -2.092 -7.443 583 HG21 VAL 79 3HG2 VAL 79 -1.189 -2.578 -8.149 584 HG22 VAL 79 1HG2 VAL 79 -1.069 -4.144 -7.346 585 HG23 VAL 79 2HG2 VAL 79 -0.544 -2.682 -6.510 586 H MET 80 H MET 80 -1.647 -4.739 -9.851 587 HA MET 80 HA MET 80 -1.853 -7.114 -8.490 588 HB2 MET 80 1HB MET 80 -3.569 -5.713 -9.962 589 HB3 MET 80 2HB MET 80 -3.184 -6.951 -11.150 590 HG2 MET 80 1HG MET 80 -4.207 -8.602 -9.973 591 HG3 MET 80 2HG MET 80 -3.883 -7.846 -8.415 592 HE1 MET 80 3HE MET 80 -5.825 -7.097 -11.782 593 HE2 MET 80 1HE MET 80 -6.986 -5.903 -11.199 594 HE3 MET 80 2HE MET 80 -5.260 -5.541 -11.171 595 H MET 81 H MET 81 -1.156 -6.827 -11.981 596 HA MET 81 HA MET 81 -0.474 -9.568 -12.266 597 HB2 MET 81 1HB MET 81 0.454 -8.823 -14.483 598 HB3 MET 81 2HB MET 81 -1.230 -8.401 -14.203 599 HG2 MET 81 1HG MET 81 0.654 -6.341 -13.355 600 HG3 MET 81 2HG MET 81 0.714 -6.700 -15.079 601 HE1 MET 81 3HE MET 81 -1.539 -7.112 -16.395 602 HE2 MET 81 1HE MET 81 -2.720 -7.583 -15.173 603 HE3 MET 81 2HE MET 81 -2.992 -6.141 -16.152 604 H ALA 82 H ALA 82 1.352 -6.664 -11.562 605 HA ALA 82 HA ALA 82 3.938 -7.574 -12.076 606 HB1 ALA 82 1HB ALA 82 4.551 -5.589 -11.261 607 HB2 ALA 82 2HB ALA 82 2.827 -5.267 -11.072 608 HB3 ALA 82 3HB ALA 82 3.763 -5.886 -9.711 609 H ARG 83 H ARG 83 1.806 -8.161 -9.362 610 HA ARG 83 HA ARG 83 3.708 -9.158 -7.544 611 HE ARG 83 HE ARG 83 2.314 -9.243 -3.346 612 HB2 ARG 83 1HB ARG 83 1.167 -8.552 -7.251 613 HB3 ARG 83 2HB ARG 83 0.925 -10.252 -7.633 614 HG2 ARG 83 1HG ARG 83 1.937 -10.973 -5.697 615 HG3 ARG 83 2HG ARG 83 2.874 -9.489 -5.510 616 HD2 ARG 83 1HD ARG 83 0.540 -8.377 -5.210 617 HD3 ARG 83 2HD ARG 83 0.006 -10.019 -4.853 618 HH11 ARG 83 1HH1 ARG 83 -1.160 -9.084 -3.498 619 HH12 ARG 83 2HH1 ARG 83 -1.355 -8.872 -1.789 620 HH21 ARG 83 1HH2 ARG 83 2.071 -8.964 -1.095 621 HH22 ARG 83 2HH2 ARG 83 0.483 -8.803 -0.424 622 H CYS 84 H CYS 84 2.247 -10.536 -10.355 623 HA CYS 84 HA CYS 84 2.656 -13.273 -9.719 624 HG CYS 84 HG CYS 84 1.964 -15.135 -11.010 625 HB2 CYS 84 1HB CYS 84 1.222 -12.091 -11.611 626 HB3 CYS 84 2HB CYS 84 2.687 -12.337 -12.553 627 H MET 85 H MET 85 4.697 -10.758 -10.956 628 HA MET 85 HA MET 85 6.715 -12.526 -11.990 629 HB2 MET 85 1HB MET 85 6.607 -9.558 -11.490 630 HB3 MET 85 2HB MET 85 8.077 -10.357 -12.032 631 HG2 MET 85 1HG MET 85 7.153 -9.619 -14.005 632 HG3 MET 85 2HG MET 85 6.596 -11.289 -13.927 633 HE1 MET 85 3HE MET 85 4.376 -11.309 -15.342 634 HE2 MET 85 1HE MET 85 3.463 -9.815 -15.561 635 HE3 MET 85 2HE MET 85 5.183 -9.862 -15.948 636 H LYS 86 H LYS 86 6.169 -10.723 -9.017 637 HA LYS 86 HA LYS 86 7.356 -10.593 -7.061 638 HB2 LYS 86 1HB LYS 86 6.378 -13.052 -7.356 639 HB3 LYS 86 2HB LYS 86 8.087 -13.467 -7.352 640 HG2 LYS 86 1HG LYS 86 7.929 -13.518 -5.139 641 HG3 LYS 86 2HG LYS 86 7.844 -11.756 -5.206 642 HD2 LYS 86 1HD LYS 86 5.387 -11.909 -5.363 643 HD3 LYS 86 2HD LYS 86 5.505 -13.665 -5.221 644 HE2 LYS 86 1HE LYS 86 6.688 -11.844 -3.151 645 HE3 LYS 86 2HE LYS 86 4.986 -12.299 -3.104 646 HZ1 LYS 86 3HZ LYS 86 5.610 -14.138 -2.067 647 HZ2 LYS 86 1HZ LYS 86 7.251 -13.793 -2.294 648 HZ3 LYS 86 2HZ LYS 86 6.394 -14.643 -3.478 649 H ASP 87 H ASP 87 8.918 -9.895 -9.330 650 HA ASP 87 HA ASP 87 11.474 -11.160 -9.208 651 HB2 ASP 87 1HB ASP 87 10.379 -8.708 -10.535 652 HB3 ASP 87 2HB ASP 87 12.123 -8.940 -10.452 653 H ASP 88 H ASP 88 12.117 -11.117 -7.045 654 HA ASP 88 HA ASP 88 12.482 -8.515 -5.771 655 HB2 ASP 88 1HB ASP 88 12.886 -9.713 -3.740 656 HB3 ASP 88 2HB ASP 88 11.502 -10.473 -4.521 657 H SER 89 H SER 89 14.294 -11.073 -7.271 658 HA SER 89 HA SER 89 16.847 -10.130 -6.296 659 HG SER 89 HG SER 89 18.524 -12.594 -7.204 660 HB2 SER 89 1HB SER 89 16.494 -12.529 -6.712 661 HB3 SER 89 2HB SER 89 16.200 -12.192 -8.418 Start of MODEL 19 1 HA MET 1 HA MET 1 4.796 0.003 0.737 2 H1 MET 1 H MET 1 4.335 -0.754 3.286 3 HB2 MET 1 1HB MET 1 6.658 -0.443 3.034 4 HB3 MET 1 2HB MET 1 7.326 -0.010 1.466 5 HG2 MET 1 1HG MET 1 5.155 1.600 2.761 6 HG3 MET 1 2HG MET 1 6.860 1.868 3.116 7 HE1 MET 1 3HE MET 1 5.794 4.085 2.641 8 HE2 MET 1 1HE MET 1 7.046 4.704 1.564 9 HE3 MET 1 2HE MET 1 5.358 4.721 1.054 10 H ASP 2 H ASP 2 4.080 -2.058 -0.342 11 HA ASP 2 HA ASP 2 5.917 -4.243 -0.493 12 HB2 ASP 2 1HB ASP 2 4.456 -4.893 -2.485 13 HB3 ASP 2 2HB ASP 2 3.657 -4.787 -0.919 14 H ASP 3 H ASP 3 7.840 -2.932 -0.961 15 HA ASP 3 HA ASP 3 8.165 -1.480 -3.347 16 HB2 ASP 3 1HB ASP 3 10.028 -2.732 -1.371 17 HB3 ASP 3 2HB ASP 3 10.678 -2.152 -2.902 18 H ILE 4 H ILE 4 8.151 -4.868 -2.697 19 HA ILE 4 HA ILE 4 9.669 -5.785 -4.884 20 HB ILE 4 HB ILE 4 9.102 -7.275 -3.058 21 HG12 ILE 4 1HG1 ILE 4 7.567 -8.574 -5.228 22 HG13 ILE 4 2HG1 ILE 4 9.151 -7.953 -5.681 23 HG21 ILE 4 1HG2 ILE 4 6.895 -6.348 -2.539 24 HG22 ILE 4 2HG2 ILE 4 6.250 -7.067 -4.014 25 HG23 ILE 4 3HG2 ILE 4 6.840 -8.102 -2.714 26 HD11 ILE 4 3HD1 ILE 4 10.066 -9.780 -4.850 27 HD12 ILE 4 1HD1 ILE 4 9.477 -9.332 -3.249 28 HD13 ILE 4 2HD1 ILE 4 8.490 -10.349 -4.300 29 H TYR 5 H TYR 5 6.297 -4.855 -4.568 30 HA TYR 5 HA TYR 5 5.636 -5.747 -7.241 31 HD1 TYR 5 HD1 TYR 5 4.445 -7.410 -7.047 32 HD2 TYR 5 HD2 TYR 5 2.895 -5.464 -3.595 33 HE1 TYR 5 HE1 TYR 5 3.789 -9.591 -6.119 34 HE2 TYR 5 HE2 TYR 5 2.236 -7.640 -2.657 35 HH TYR 5 HH TYR 5 3.065 -10.111 -2.980 36 HB2 TYR 5 1HB TYR 5 4.058 -4.212 -5.169 37 HB3 TYR 5 2HB TYR 5 3.417 -4.689 -6.738 38 H LYS 6 H LYS 6 6.107 -2.671 -5.551 39 HA LYS 6 HA LYS 6 5.463 -0.975 -7.696 40 HB2 LYS 6 1HB LYS 6 7.266 -0.577 -5.307 41 HB3 LYS 6 2HB LYS 6 6.878 0.707 -6.445 42 HG2 LYS 6 1HG LYS 6 4.986 1.130 -5.383 43 HG3 LYS 6 2HG LYS 6 4.461 -0.544 -5.573 44 HD2 LYS 6 1HD LYS 6 4.591 -0.659 -3.341 45 HD3 LYS 6 2HD LYS 6 6.339 -0.724 -3.578 46 HE2 LYS 6 1HE LYS 6 5.770 0.970 -1.936 47 HE3 LYS 6 2HE LYS 6 6.444 1.720 -3.383 48 HZ1 LYS 6 3HZ LYS 6 3.527 1.464 -2.941 49 HZ2 LYS 6 1HZ LYS 6 4.331 2.448 -4.058 50 HZ3 LYS 6 2HZ LYS 6 4.410 2.804 -2.406 51 H ALA 7 H ALA 7 8.520 -2.446 -6.702 52 HA ALA 7 HA ALA 7 10.148 -1.111 -8.592 53 HB1 ALA 7 1HB ALA 7 11.150 -2.133 -6.667 54 HB2 ALA 7 2HB ALA 7 10.547 -3.722 -7.140 55 HB3 ALA 7 3HB ALA 7 11.782 -2.922 -8.113 56 H ALA 8 H ALA 8 7.948 -3.738 -8.854 57 HA ALA 8 HA ALA 8 9.111 -4.870 -11.234 58 HB1 ALA 8 1HB ALA 8 6.297 -5.370 -10.345 59 HB2 ALA 8 2HB ALA 8 7.423 -6.459 -11.156 60 HB3 ALA 8 3HB ALA 8 7.658 -6.055 -9.456 61 H VAL 9 H VAL 9 6.357 -2.778 -10.464 62 HA VAL 9 HA VAL 9 5.447 -2.567 -13.159 63 HB VAL 9 HB VAL 9 4.135 -0.601 -12.283 64 HG11 VAL 9 1HG1 VAL 9 3.523 -3.140 -12.210 65 HG12 VAL 9 2HG1 VAL 9 3.692 -2.927 -10.466 66 HG13 VAL 9 3HG1 VAL 9 2.521 -1.961 -11.365 67 HG21 VAL 9 3HG2 VAL 9 5.250 -1.451 -9.615 68 HG22 VAL 9 1HG2 VAL 9 5.780 -0.021 -10.501 69 HG23 VAL 9 2HG2 VAL 9 4.115 -0.139 -9.932 70 H GLU 10 H GLU 10 7.699 -0.778 -11.166 71 HA GLU 10 HA GLU 10 7.903 1.495 -12.866 72 HB2 GLU 10 1HB GLU 10 9.565 0.396 -10.621 73 HB3 GLU 10 2HB GLU 10 10.147 1.751 -11.579 74 HG2 GLU 10 1HG GLU 10 7.781 2.742 -11.019 75 HG3 GLU 10 2HG GLU 10 7.876 1.613 -9.668 76 H GLN 11 H GLN 11 9.401 -1.643 -12.801 77 HA GLN 11 HA GLN 11 11.445 -0.885 -14.721 78 HB2 GLN 11 1HB GLN 11 12.243 -3.164 -14.502 79 HB3 GLN 11 2HB GLN 11 11.969 -2.477 -12.906 80 HG2 GLN 11 1HG GLN 11 9.972 -3.722 -12.619 81 HG3 GLN 11 2HG GLN 11 9.971 -4.229 -14.307 82 HE21 GLN 11 2HE2 GLN 11 10.525 -6.258 -14.558 83 HE22 GLN 11 1HE2 GLN 11 11.668 -7.135 -13.604 84 H LEU 12 H LEU 12 8.333 -1.194 -15.106 85 HA LEU 12 HA LEU 12 8.053 -3.184 -17.121 86 HG LEU 12 HG LEU 12 6.267 -2.941 -14.860 87 HB2 LEU 12 1HB LEU 12 6.380 -0.868 -16.219 88 HB3 LEU 12 2HB LEU 12 5.933 -1.812 -17.638 89 HD11 LEU 12 1HD1 LEU 12 3.842 -3.054 -14.796 90 HD12 LEU 12 2HD1 LEU 12 3.746 -2.276 -16.375 91 HD13 LEU 12 3HD1 LEU 12 4.378 -1.385 -14.991 92 HD21 LEU 12 3HD2 LEU 12 5.133 -4.139 -17.386 93 HD22 LEU 12 1HD2 LEU 12 5.172 -4.909 -15.800 94 HD23 LEU 12 2HD2 LEU 12 6.679 -4.555 -16.646 95 H THR 13 H THR 13 7.017 -2.354 -19.315 96 HA THR 13 HA THR 13 9.018 -0.552 -20.491 97 HB THR 13 HB THR 13 8.984 -2.763 -21.501 98 HG1 THR 13 HG1 THR 13 8.607 -2.069 -23.669 99 HG21 THR 13 3HG2 THR 13 6.474 -2.685 -22.872 100 HG22 THR 13 1HG2 THR 13 6.190 -2.558 -21.137 101 HG23 THR 13 2HG2 THR 13 7.103 -3.921 -21.783 102 H GLU 14 H GLU 14 8.316 0.905 -22.206 103 HA GLU 14 HA GLU 14 6.281 2.612 -21.460 104 HB2 GLU 14 1HB GLU 14 7.286 2.188 -24.279 105 HB3 GLU 14 2HB GLU 14 6.486 3.627 -23.662 106 HG2 GLU 14 1HG GLU 14 8.382 3.927 -22.083 107 HG3 GLU 14 2HG GLU 14 9.194 2.580 -22.878 108 H GLU 15 H GLU 15 6.156 -0.186 -23.585 109 HA GLU 15 HA GLU 15 3.570 0.257 -24.626 110 HB2 GLU 15 1HB GLU 15 4.953 -2.396 -24.197 111 HB3 GLU 15 2HB GLU 15 3.628 -2.073 -25.306 112 HG2 GLU 15 1HG GLU 15 5.132 -0.477 -26.505 113 HG3 GLU 15 2HG GLU 15 6.448 -1.048 -25.481 114 H GLN 16 H GLN 16 4.732 -1.422 -21.750 115 HA GLN 16 HA GLN 16 2.313 -2.616 -20.983 116 HB2 GLN 16 1HB GLN 16 4.789 -1.798 -19.502 117 HB3 GLN 16 2HB GLN 16 3.392 -2.399 -18.618 118 HG2 GLN 16 1HG GLN 16 4.434 -3.977 -20.916 119 HG3 GLN 16 2HG GLN 16 5.303 -4.011 -19.383 120 HE21 GLN 16 2HE2 GLN 16 3.474 -5.896 -21.015 121 HE22 GLN 16 1HE2 GLN 16 2.424 -6.551 -19.811 122 H LYS 17 H LYS 17 3.746 0.496 -20.030 123 HA LYS 17 HA LYS 17 1.674 1.305 -18.317 124 HB2 LYS 17 1HB LYS 17 3.938 2.618 -19.699 125 HB3 LYS 17 2HB LYS 17 2.622 3.674 -19.205 126 HG2 LYS 17 1HG LYS 17 4.295 3.626 -17.486 127 HG3 LYS 17 2HG LYS 17 2.841 2.814 -16.902 128 HD2 LYS 17 1HD LYS 17 3.870 0.640 -17.464 129 HD3 LYS 17 2HD LYS 17 5.339 1.487 -17.955 130 HE2 LYS 17 1HE LYS 17 4.350 2.172 -15.276 131 HE3 LYS 17 2HE LYS 17 4.874 0.500 -15.465 132 HZ1 LYS 17 3HZ LYS 17 6.554 2.384 -14.821 133 HZ2 LYS 17 1HZ LYS 17 6.612 2.619 -16.496 134 HZ3 LYS 17 2HZ LYS 17 7.020 1.115 -15.838 135 H ASN 18 H ASN 18 2.200 1.881 -21.776 136 HA ASN 18 HA ASN 18 0.060 3.602 -22.241 137 HB2 ASN 18 1HB ASN 18 1.751 1.822 -23.882 138 HB3 ASN 18 2HB ASN 18 0.184 2.220 -24.579 139 HD21 ASN 18 2HD2 ASN 18 3.182 3.034 -24.898 140 HD22 ASN 18 1HD2 ASN 18 3.077 4.743 -25.125 141 H GLU 19 H GLU 19 0.172 0.055 -22.564 142 HA GLU 19 HA GLU 19 -2.572 -0.224 -23.204 143 HB2 GLU 19 1HB GLU 19 -0.689 -2.261 -22.000 144 HB3 GLU 19 2HB GLU 19 -2.232 -2.611 -22.766 145 HG2 GLU 19 1HG GLU 19 -1.436 -2.176 -24.884 146 HG3 GLU 19 2HG GLU 19 -0.115 -1.170 -24.293 147 H PHE 20 H PHE 20 -0.793 -0.175 -20.183 148 HA PHE 20 HA PHE 20 -2.873 -1.144 -18.527 149 HD1 PHE 20 HD2 PHE 20 -1.085 -2.458 -19.201 150 HD2 PHE 20 HD1 PHE 20 -0.079 -1.044 -15.315 151 HE1 PHE 20 HE2 PHE 20 -0.266 -4.699 -18.602 152 HE2 PHE 20 HE1 PHE 20 0.743 -3.282 -14.709 153 HZ PHE 20 HZ PHE 20 0.649 -5.114 -16.353 154 HB2 PHE 20 1HB PHE 20 -0.310 0.323 -18.080 155 HB3 PHE 20 2HB PHE 20 -1.476 0.252 -16.764 156 H LYS 21 H LYS 21 -2.077 2.013 -19.789 157 HA LYS 21 HA LYS 21 -3.924 3.407 -18.066 158 HB2 LYS 21 1HB LYS 21 -1.799 4.398 -19.030 159 HB3 LYS 21 2HB LYS 21 -2.624 4.450 -20.583 160 HG2 LYS 21 1HG LYS 21 -4.446 5.739 -19.170 161 HG3 LYS 21 2HG LYS 21 -3.051 6.088 -18.146 162 HD2 LYS 21 1HD LYS 21 -2.763 6.472 -21.081 163 HD3 LYS 21 2HD LYS 21 -3.722 7.650 -20.180 164 HE2 LYS 21 1HE LYS 21 -0.917 6.835 -19.437 165 HE3 LYS 21 2HE LYS 21 -1.302 8.237 -20.433 166 HZ1 LYS 21 3HZ LYS 21 -2.634 9.100 -18.577 167 HZ2 LYS 21 1HZ LYS 21 -1.005 8.909 -18.160 168 HZ3 LYS 21 2HZ LYS 21 -2.152 7.788 -17.624 169 H ALA 22 H ALA 22 -3.844 2.300 -21.419 170 HA ALA 22 HA ALA 22 -6.358 3.458 -22.123 171 HB1 ALA 22 1HB ALA 22 -4.253 2.238 -23.492 172 HB2 ALA 22 2HB ALA 22 -5.655 1.204 -23.770 173 HB3 ALA 22 3HB ALA 22 -5.727 2.917 -24.182 174 H ALA 23 H ALA 23 -5.337 0.095 -21.513 175 HA ALA 23 HA ALA 23 -7.810 -1.129 -21.728 176 HB1 ALA 23 1HB ALA 23 -5.468 -2.154 -21.391 177 HB2 ALA 23 2HB ALA 23 -5.826 -2.019 -19.669 178 HB3 ALA 23 3HB ALA 23 -6.864 -2.991 -20.711 179 H PHE 24 H PHE 24 -6.461 0.718 -19.082 180 HA PHE 24 HA PHE 24 -8.340 -0.071 -17.108 181 HD1 PHE 24 HD1 PHE 24 -7.715 0.354 -14.450 182 HD2 PHE 24 HD2 PHE 24 -7.756 4.156 -16.363 183 HE1 PHE 24 HE1 PHE 24 -8.761 1.343 -12.455 184 HE2 PHE 24 HE2 PHE 24 -8.801 5.151 -14.371 185 HZ PHE 24 HZ PHE 24 -9.304 3.745 -12.412 186 HB2 PHE 24 1HB PHE 24 -6.248 0.913 -16.425 187 HB3 PHE 24 2HB PHE 24 -6.588 2.381 -17.337 188 H ASP 25 H ASP 25 -8.345 2.335 -19.630 189 HA ASP 25 HA ASP 25 -10.482 3.917 -18.666 190 HB2 ASP 25 1HB ASP 25 -8.931 4.687 -20.418 191 HB3 ASP 25 2HB ASP 25 -9.574 3.471 -21.518 192 H ILE 26 H ILE 26 -10.356 1.121 -20.836 193 HA ILE 26 HA ILE 26 -13.106 1.102 -21.486 194 HB ILE 26 HB ILE 26 -11.154 -1.203 -21.465 195 HG12 ILE 26 1HG1 ILE 26 -11.592 -0.495 -24.082 196 HG13 ILE 26 2HG1 ILE 26 -11.590 1.069 -23.274 197 HG21 ILE 26 1HG2 ILE 26 -13.450 -1.984 -21.476 198 HG22 ILE 26 2HG2 ILE 26 -13.831 -0.908 -22.819 199 HG23 ILE 26 3HG2 ILE 26 -12.710 -2.248 -23.055 200 HD11 ILE 26 3HD1 ILE 26 -9.394 -0.838 -23.724 201 HD12 ILE 26 1HD1 ILE 26 -9.381 0.924 -23.665 202 HD13 ILE 26 2HD1 ILE 26 -9.404 -0.008 -22.168 203 H PHE 27 H PHE 27 -11.240 -0.416 -18.908 204 HA PHE 27 HA PHE 27 -13.264 -2.088 -17.904 205 HD1 PHE 27 HD2 PHE 27 -10.579 -2.636 -19.051 206 HD2 PHE 27 HD1 PHE 27 -11.421 -3.776 -15.038 207 HE1 PHE 27 HE2 PHE 27 -9.790 -4.915 -19.537 208 HE2 PHE 27 HE1 PHE 27 -10.632 -6.057 -15.517 209 HZ PHE 27 HZ PHE 27 -9.817 -6.630 -17.769 210 HB2 PHE 27 1HB PHE 27 -10.705 -0.985 -16.864 211 HB3 PHE 27 2HB PHE 27 -11.844 -1.627 -15.684 212 H VAL 28 H VAL 28 -12.229 1.151 -16.842 213 HA VAL 28 HA VAL 28 -14.513 1.383 -15.077 214 HB VAL 28 HB VAL 28 -13.613 3.523 -14.427 215 HG11 VAL 28 1HG1 VAL 28 -12.164 1.075 -14.284 216 HG12 VAL 28 2HG1 VAL 28 -11.013 2.408 -14.403 217 HG13 VAL 28 3HG1 VAL 28 -12.221 2.396 -13.117 218 HG21 VAL 28 3HG2 VAL 28 -11.235 3.935 -15.674 219 HG22 VAL 28 1HG2 VAL 28 -12.212 3.298 -16.997 220 HG23 VAL 28 2HG2 VAL 28 -12.746 4.729 -16.116 221 H LEU 29 H LEU 29 -14.285 1.553 -18.281 222 HA LEU 29 HA LEU 29 -15.443 4.029 -18.971 223 HG LEU 29 HG LEU 29 -16.967 0.995 -20.221 224 HB2 LEU 29 1HB LEU 29 -15.232 3.269 -21.051 225 HB3 LEU 29 2HB LEU 29 -14.474 1.849 -20.333 226 HD11 LEU 29 1HD1 LEU 29 -17.472 3.399 -21.345 227 HD12 LEU 29 2HD1 LEU 29 -18.490 1.974 -21.551 228 HD13 LEU 29 3HD1 LEU 29 -17.301 2.393 -22.784 229 HD21 LEU 29 3HD2 LEU 29 -16.499 0.398 -22.816 230 HD22 LEU 29 1HD2 LEU 29 -15.720 -0.412 -21.457 231 HD23 LEU 29 2HD2 LEU 29 -14.888 0.895 -22.299 232 H GLY 30 H GLY 30 -16.754 1.193 -17.544 233 HA2 GLY 30 1HA GLY 30 -19.490 1.797 -18.323 234 HA3 GLY 30 2HA GLY 30 -18.963 0.460 -17.311 235 H ALA 31 H ALA 31 -17.387 2.281 -15.582 236 HA ALA 31 HA ALA 31 -19.464 2.883 -13.714 237 HB1 ALA 31 1HB ALA 31 -17.428 2.143 -12.789 238 HB2 ALA 31 2HB ALA 31 -16.492 3.332 -13.695 239 HB3 ALA 31 3HB ALA 31 -17.542 3.854 -12.377 240 H GLU 32 H GLU 32 -18.978 5.173 -12.499 241 HA GLU 32 HA GLU 32 -19.473 7.194 -14.578 242 HB2 GLU 32 1HB GLU 32 -20.396 6.949 -11.725 243 HB3 GLU 32 2HB GLU 32 -20.464 8.483 -12.581 244 HG2 GLU 32 1HG GLU 32 -21.742 5.982 -13.639 245 HG3 GLU 32 2HG GLU 32 -22.575 7.101 -12.561 246 H ASP 33 H ASP 33 -18.062 6.959 -11.309 247 HA ASP 33 HA ASP 33 -16.552 9.361 -11.600 248 HB2 ASP 33 1HB ASP 33 -16.034 7.155 -9.605 249 HB3 ASP 33 2HB ASP 33 -15.640 8.865 -9.450 250 H GLY 34 H GLY 34 -15.914 5.958 -12.143 251 HA2 GLY 34 1HA GLY 34 -14.260 5.369 -13.816 252 HA3 GLY 34 2HA GLY 34 -13.284 6.715 -13.246 253 H CYS 35 H CYS 35 -14.817 3.807 -11.856 254 HA CYS 35 HA CYS 35 -12.222 2.989 -10.806 255 HG CYS 35 HG CYS 35 -11.635 4.971 -9.159 256 HB2 CYS 35 1HB CYS 35 -14.665 3.418 -9.076 257 HB3 CYS 35 2HB CYS 35 -13.216 2.567 -8.553 258 H ILE 36 H ILE 36 -12.492 0.784 -9.650 259 HA ILE 36 HA ILE 36 -14.538 -0.829 -11.014 260 HB ILE 36 HB ILE 36 -11.618 -1.562 -10.764 261 HG12 ILE 36 1HG1 ILE 36 -13.042 -1.415 -13.374 262 HG13 ILE 36 2HG1 ILE 36 -12.617 0.107 -12.598 263 HG21 ILE 36 1HG2 ILE 36 -14.019 -3.102 -11.694 264 HG22 ILE 36 2HG2 ILE 36 -12.390 -3.511 -12.227 265 HG23 ILE 36 3HG2 ILE 36 -12.797 -3.568 -10.512 266 HD11 ILE 36 3HD1 ILE 36 -10.285 -1.264 -12.400 267 HD12 ILE 36 1HD1 ILE 36 -10.924 -1.869 -13.928 268 HD13 ILE 36 2HD1 ILE 36 -10.689 -0.137 -13.694 269 H SER 37 H SER 37 -15.771 -1.640 -9.454 270 HA SER 37 HA SER 37 -14.656 -2.216 -6.832 271 HG SER 37 HG SER 37 -16.806 -2.016 -5.151 272 HB2 SER 37 1HB SER 37 -16.850 -1.058 -7.066 273 HB3 SER 37 2HB SER 37 -17.508 -2.519 -7.803 274 H THR 38 H THR 38 -14.685 -4.238 -5.839 275 HA THR 38 HA THR 38 -13.927 -6.430 -7.311 276 HB THR 38 HB THR 38 -13.485 -6.527 -5.002 277 HG1 THR 38 HG1 THR 38 -14.661 -8.482 -4.363 278 HG21 THR 38 3HG2 THR 38 -16.208 -5.542 -4.765 279 HG22 THR 38 1HG2 THR 38 -14.857 -5.401 -3.641 280 HG23 THR 38 2HG2 THR 38 -15.870 -6.845 -3.626 281 H LYS 39 H LYS 39 -17.169 -5.400 -6.452 282 HA LYS 39 HA LYS 39 -18.563 -7.744 -7.097 283 HB2 LYS 39 1HB LYS 39 -20.522 -6.229 -7.414 284 HB3 LYS 39 2HB LYS 39 -19.670 -5.982 -5.896 285 HG2 LYS 39 1HG LYS 39 -18.479 -4.068 -6.963 286 HG3 LYS 39 2HG LYS 39 -19.532 -4.269 -8.365 287 HD2 LYS 39 1HD LYS 39 -20.594 -2.612 -7.114 288 HD3 LYS 39 2HD LYS 39 -21.465 -4.084 -6.675 289 HE2 LYS 39 1HE LYS 39 -19.111 -3.338 -5.029 290 HE3 LYS 39 2HE LYS 39 -20.565 -2.355 -4.860 291 HZ1 LYS 39 3HZ LYS 39 -21.479 -3.928 -3.624 292 HZ2 LYS 39 1HZ LYS 39 -20.041 -4.816 -3.694 293 HZ3 LYS 39 2HZ LYS 39 -21.259 -5.088 -4.836 294 H GLU 40 H GLU 40 -17.700 -4.943 -9.101 295 HA GLU 40 HA GLU 40 -18.887 -6.074 -11.463 296 HB2 GLU 40 1HB GLU 40 -17.476 -3.575 -10.750 297 HB3 GLU 40 2HB GLU 40 -17.306 -4.098 -12.420 298 HG2 GLU 40 1HG GLU 40 -19.144 -2.650 -12.400 299 HG3 GLU 40 2HG GLU 40 -19.828 -4.272 -12.481 300 H LEU 41 H LEU 41 -15.607 -5.656 -10.203 301 HA LEU 41 HA LEU 41 -14.125 -6.493 -12.375 302 HG LEU 41 HG LEU 41 -12.041 -8.409 -10.464 303 HB2 LEU 41 1HB LEU 41 -13.113 -5.609 -10.362 304 HB3 LEU 41 2HB LEU 41 -13.638 -7.022 -9.448 305 HD11 LEU 41 1HD1 LEU 41 -12.112 -6.382 -12.608 306 HD12 LEU 41 2HD1 LEU 41 -11.975 -8.137 -12.704 307 HD13 LEU 41 3HD1 LEU 41 -10.558 -7.163 -12.314 308 HD21 LEU 41 3HD2 LEU 41 -10.962 -7.076 -8.842 309 HD22 LEU 41 1HD2 LEU 41 -10.900 -5.680 -9.918 310 HD23 LEU 41 2HD2 LEU 41 -9.891 -7.089 -10.244 311 H GLY 42 H GLY 42 -15.685 -8.473 -9.879 312 HA2 GLY 42 1HA GLY 42 -14.710 -10.964 -10.789 313 HA3 GLY 42 2HA GLY 42 -16.132 -10.723 -9.785 314 H LYS 43 H LYS 43 -17.363 -8.967 -11.845 315 HA LYS 43 HA LYS 43 -18.794 -10.987 -13.239 316 HB2 LYS 43 1HB LYS 43 -18.950 -8.101 -12.888 317 HB3 LYS 43 2HB LYS 43 -19.348 -8.587 -14.531 318 HG2 LYS 43 1HG LYS 43 -20.874 -10.336 -13.349 319 HG3 LYS 43 2HG LYS 43 -20.737 -9.236 -11.974 320 HD2 LYS 43 1HD LYS 43 -21.382 -7.401 -13.675 321 HD3 LYS 43 2HD LYS 43 -21.936 -8.744 -14.678 322 HE2 LYS 43 1HE LYS 43 -22.808 -8.499 -11.823 323 HE3 LYS 43 2HE LYS 43 -23.616 -7.580 -13.092 324 HZ1 LYS 43 3HZ LYS 43 -23.608 -10.462 -12.604 325 HZ2 LYS 43 1HZ LYS 43 -23.683 -9.942 -14.212 326 HZ3 LYS 43 2HZ LYS 43 -24.870 -9.456 -13.109 327 H VAL 44 H VAL 44 -16.537 -8.461 -14.343 328 HA VAL 44 HA VAL 44 -16.507 -9.049 -17.043 329 HB VAL 44 HB VAL 44 -14.170 -8.145 -15.354 330 HG11 VAL 44 1HG1 VAL 44 -13.618 -7.055 -17.680 331 HG12 VAL 44 2HG1 VAL 44 -13.139 -8.716 -17.323 332 HG13 VAL 44 3HG1 VAL 44 -14.577 -8.401 -18.294 333 HG21 VAL 44 3HG2 VAL 44 -16.186 -6.535 -16.920 334 HG22 VAL 44 1HG2 VAL 44 -16.141 -6.696 -15.164 335 HG23 VAL 44 2HG2 VAL 44 -14.819 -5.892 -16.010 336 H MET 45 H MET 45 -15.054 -10.778 -14.400 337 HA MET 45 HA MET 45 -13.065 -12.231 -15.633 338 HB2 MET 45 1HB MET 45 -15.003 -13.366 -13.615 339 HB3 MET 45 2HB MET 45 -13.350 -13.888 -13.909 340 HG2 MET 45 1HG MET 45 -14.249 -11.283 -12.706 341 HG3 MET 45 2HG MET 45 -13.411 -12.605 -11.897 342 HE1 MET 45 3HE MET 45 -11.559 -13.158 -14.720 343 HE2 MET 45 1HE MET 45 -10.044 -12.451 -14.158 344 HE3 MET 45 2HE MET 45 -10.979 -13.496 -13.089 345 H ARG 46 H ARG 46 -16.543 -12.689 -15.784 346 HA ARG 46 HA ARG 46 -16.613 -15.240 -16.926 347 HE ARG 46 HE ARG 46 -19.254 -10.137 -17.425 348 HB2 ARG 46 1HB ARG 46 -18.860 -14.754 -17.560 349 HB3 ARG 46 2HB ARG 46 -18.571 -13.936 -16.030 350 HG2 ARG 46 1HG ARG 46 -17.948 -11.930 -17.639 351 HG3 ARG 46 2HG ARG 46 -19.018 -12.808 -18.734 352 HD2 ARG 46 1HD ARG 46 -20.863 -12.512 -17.382 353 HD3 ARG 46 2HD ARG 46 -19.891 -12.301 -15.927 354 HH11 ARG 46 1HH1 ARG 46 -22.266 -11.522 -16.364 355 HH12 ARG 46 2HH1 ARG 46 -23.095 -10.002 -16.307 356 HH21 ARG 46 1HH2 ARG 46 -20.334 -8.130 -17.353 357 HH22 ARG 46 2HH2 ARG 46 -21.995 -8.073 -16.870 358 H MET 47 H MET 47 -16.096 -12.077 -18.362 359 HA MET 47 HA MET 47 -16.373 -12.868 -21.065 360 HB2 MET 47 1HB MET 47 -14.830 -10.574 -19.844 361 HB3 MET 47 2HB MET 47 -15.143 -10.764 -21.564 362 HG2 MET 47 1HG MET 47 -17.367 -10.651 -19.559 363 HG3 MET 47 2HG MET 47 -16.649 -9.193 -20.241 364 HE1 MET 47 3HE MET 47 -17.910 -8.145 -22.624 365 HE2 MET 47 1HE MET 47 -19.547 -8.768 -22.420 366 HE3 MET 47 2HE MET 47 -18.604 -8.291 -21.009 367 H LEU 48 H LEU 48 -13.623 -12.739 -18.858 368 HA LEU 48 HA LEU 48 -11.650 -13.355 -20.805 369 HG LEU 48 HG LEU 48 -12.276 -11.805 -17.761 370 HB2 LEU 48 1HB LEU 48 -11.381 -14.032 -17.902 371 HB3 LEU 48 2HB LEU 48 -10.140 -13.507 -19.038 372 HD11 LEU 48 1HD1 LEU 48 -9.271 -11.697 -17.563 373 HD12 LEU 48 2HD1 LEU 48 -10.343 -12.390 -16.346 374 HD13 LEU 48 3HD1 LEU 48 -10.425 -10.667 -16.714 375 HD21 LEU 48 3HD2 LEU 48 -10.335 -11.219 -19.976 376 HD22 LEU 48 1HD2 LEU 48 -10.995 -9.948 -18.946 377 HD23 LEU 48 2HD2 LEU 48 -12.075 -10.936 -19.930 378 H GLY 49 H GLY 49 -13.897 -15.254 -18.982 379 HA2 GLY 49 1HA GLY 49 -14.425 -17.465 -19.853 380 HA3 GLY 49 2HA GLY 49 -12.709 -17.687 -20.160 381 H GLN 50 H GLN 50 -13.439 -16.138 -17.212 382 HA GLN 50 HA GLN 50 -13.281 -18.677 -15.742 383 HB2 GLN 50 1HB GLN 50 -11.628 -16.202 -15.220 384 HB3 GLN 50 2HB GLN 50 -11.724 -17.580 -14.132 385 HG2 GLN 50 1HG GLN 50 -10.779 -19.018 -15.861 386 HG3 GLN 50 2HG GLN 50 -10.688 -17.640 -16.957 387 HE21 GLN 50 2HE2 GLN 50 -9.909 -17.966 -13.518 388 HE22 GLN 50 1HE2 GLN 50 -8.263 -17.465 -13.664 389 H ASN 51 H ASN 51 -14.260 -18.696 -13.704 390 HA ASN 51 HA ASN 51 -15.723 -16.287 -12.904 391 HB2 ASN 51 1HB ASN 51 -17.670 -17.966 -12.371 392 HB3 ASN 51 2HB ASN 51 -17.487 -17.314 -13.998 393 HD21 ASN 51 2HD2 ASN 51 -16.918 -20.098 -11.953 394 HD22 ASN 51 1HD2 ASN 51 -16.814 -21.255 -13.233 395 HA PRO 52 HA PRO 52 -13.618 -18.554 -9.399 396 HB2 PRO 52 1HB PRO 52 -12.246 -16.398 -8.483 397 HB3 PRO 52 2HB PRO 52 -11.617 -17.476 -9.734 398 HG2 PRO 52 1HG PRO 52 -12.951 -14.812 -10.026 399 HG3 PRO 52 2HG PRO 52 -11.522 -15.446 -10.864 400 HD2 PRO 52 1HD PRO 52 -13.980 -15.407 -11.999 401 HD3 PRO 52 2HD PRO 52 -12.785 -16.671 -12.354 402 H THR 53 H THR 53 -13.345 -17.331 -7.055 403 HA THR 53 HA THR 53 -16.079 -16.692 -6.331 404 HB THR 53 HB THR 53 -14.725 -18.273 -4.965 405 HG1 THR 53 HG1 THR 53 -16.264 -17.537 -3.682 406 HG21 THR 53 3HG2 THR 53 -12.689 -16.532 -5.224 407 HG22 THR 53 1HG2 THR 53 -12.791 -17.714 -3.920 408 HG23 THR 53 2HG2 THR 53 -13.299 -16.048 -3.642 409 HA PRO 54 HA PRO 54 -15.545 -12.322 -6.182 410 HB2 PRO 54 1HB PRO 54 -17.527 -11.711 -4.431 411 HB3 PRO 54 2HB PRO 54 -17.838 -12.197 -6.102 412 HG2 PRO 54 1HG PRO 54 -17.970 -13.832 -3.597 413 HG3 PRO 54 2HG PRO 54 -19.088 -13.801 -4.973 414 HD2 PRO 54 1HD PRO 54 -17.221 -15.737 -4.656 415 HD3 PRO 54 2HD PRO 54 -17.748 -15.171 -6.254 416 H GLU 55 H GLU 55 -15.987 -13.962 -3.051 417 HA GLU 55 HA GLU 55 -15.014 -11.995 -1.372 418 HB2 GLU 55 1HB GLU 55 -14.243 -14.006 0.062 419 HB3 GLU 55 2HB GLU 55 -15.957 -13.826 -0.287 420 HG2 GLU 55 1HG GLU 55 -15.904 -15.539 -1.912 421 HG3 GLU 55 2HG GLU 55 -14.141 -15.570 -1.922 422 H GLU 56 H GLU 56 -13.283 -14.128 -3.509 423 HA GLU 56 HA GLU 56 -10.709 -13.810 -2.363 424 HB2 GLU 56 1HB GLU 56 -11.044 -15.660 -3.819 425 HB3 GLU 56 2HB GLU 56 -11.639 -14.627 -5.111 426 HG2 GLU 56 1HG GLU 56 -9.598 -14.316 -5.910 427 HG3 GLU 56 2HG GLU 56 -8.975 -13.864 -4.324 428 H LEU 57 H LEU 57 -12.343 -12.199 -5.076 429 HA LEU 57 HA LEU 57 -10.308 -10.536 -5.920 430 HG LEU 57 HG LEU 57 -11.332 -10.709 -8.080 431 HB2 LEU 57 1HB LEU 57 -13.286 -10.202 -5.853 432 HB3 LEU 57 2HB LEU 57 -12.244 -8.931 -6.490 433 HD11 LEU 57 1HD1 LEU 57 -11.999 -12.778 -7.474 434 HD12 LEU 57 2HD1 LEU 57 -13.402 -12.372 -8.462 435 HD13 LEU 57 3HD1 LEU 57 -13.479 -12.198 -6.709 436 HD21 LEU 57 3HD2 LEU 57 -12.944 -8.848 -8.625 437 HD22 LEU 57 1HD2 LEU 57 -14.242 -10.027 -8.436 438 HD23 LEU 57 2HD2 LEU 57 -13.016 -10.257 -9.683 439 H GLN 58 H GLN 58 -12.842 -9.741 -3.538 440 HA GLN 58 HA GLN 58 -11.812 -7.237 -2.818 441 HB2 GLN 58 1HB GLN 58 -14.053 -7.734 -2.213 442 HB3 GLN 58 2HB GLN 58 -13.576 -9.194 -1.357 443 HG2 GLN 58 1HG GLN 58 -14.163 -7.475 0.218 444 HG3 GLN 58 2HG GLN 58 -12.437 -7.819 0.325 445 HE21 GLN 58 2HE2 GLN 58 -11.248 -6.082 0.567 446 HE22 GLN 58 1HE2 GLN 58 -11.578 -4.515 -0.080 447 H GLU 59 H GLU 59 -10.884 -10.445 -1.907 448 HA GLU 59 HA GLU 59 -9.583 -9.912 0.520 449 HB2 GLU 59 1HB GLU 59 -10.119 -12.171 -0.698 450 HB3 GLU 59 2HB GLU 59 -8.521 -11.953 -1.397 451 HG2 GLU 59 1HG GLU 59 -7.449 -12.249 0.604 452 HG3 GLU 59 2HG GLU 59 -8.840 -11.725 1.551 453 H MET 60 H MET 60 -8.202 -10.175 -2.759 454 HA MET 60 HA MET 60 -5.630 -9.260 -1.956 455 HB2 MET 60 1HB MET 60 -5.188 -9.103 -4.396 456 HB3 MET 60 2HB MET 60 -5.839 -10.662 -3.908 457 HG2 MET 60 1HG MET 60 -8.046 -9.999 -4.696 458 HG3 MET 60 2HG MET 60 -7.410 -8.423 -5.163 459 HE1 MET 60 3HE MET 60 -6.139 -8.602 -8.391 460 HE2 MET 60 1HE MET 60 -7.885 -8.820 -8.264 461 HE3 MET 60 2HE MET 60 -7.034 -7.816 -7.090 462 H ILE 61 H ILE 61 -8.480 -7.713 -3.320 463 HA ILE 61 HA ILE 61 -7.295 -5.222 -3.918 464 HB ILE 61 HB ILE 61 -10.155 -5.960 -3.311 465 HG12 ILE 61 1HG1 ILE 61 -8.746 -5.265 -5.898 466 HG13 ILE 61 2HG1 ILE 61 -9.181 -6.891 -5.381 467 HG21 ILE 61 1HG2 ILE 61 -9.920 -3.654 -2.725 468 HG22 ILE 61 2HG2 ILE 61 -9.009 -3.320 -4.196 469 HG23 ILE 61 3HG2 ILE 61 -10.719 -3.738 -4.294 470 HD11 ILE 61 3HD1 ILE 61 -10.775 -6.101 -6.989 471 HD12 ILE 61 1HD1 ILE 61 -11.554 -6.223 -5.411 472 HD13 ILE 61 2HD1 ILE 61 -11.071 -4.646 -6.037 473 H ASP 62 H ASP 62 -8.360 -6.655 -0.960 474 HA ASP 62 HA ASP 62 -8.776 -4.303 0.551 475 HB2 ASP 62 1HB ASP 62 -9.487 -6.659 1.167 476 HB3 ASP 62 2HB ASP 62 -7.815 -6.950 1.638 477 H GLU 63 H GLU 63 -5.948 -6.448 0.273 478 HA GLU 63 HA GLU 63 -4.288 -4.811 1.911 479 HB2 GLU 63 1HB GLU 63 -4.096 -7.344 0.590 480 HB3 GLU 63 2HB GLU 63 -2.681 -6.384 0.183 481 HG2 GLU 63 1HG GLU 63 -2.634 -5.938 2.767 482 HG3 GLU 63 2HG GLU 63 -3.570 -7.430 2.819 483 H VAL 64 H VAL 64 -5.181 -4.765 -1.414 484 HA VAL 64 HA VAL 64 -2.916 -3.213 -2.298 485 HB VAL 64 HB VAL 64 -5.536 -3.837 -3.668 486 HG11 VAL 64 1HG1 VAL 64 -3.042 -2.519 -4.736 487 HG12 VAL 64 2HG1 VAL 64 -4.395 -3.074 -5.724 488 HG13 VAL 64 3HG1 VAL 64 -4.631 -1.778 -4.550 489 HG21 VAL 64 3HG2 VAL 64 -3.486 -5.543 -3.112 490 HG22 VAL 64 1HG2 VAL 64 -4.601 -5.714 -4.468 491 HG23 VAL 64 2HG2 VAL 64 -3.031 -4.949 -4.708 492 H ASP 65 H ASP 65 -6.361 -2.591 -1.685 493 HA ASP 65 HA ASP 65 -6.301 0.154 -2.322 494 HB2 ASP 65 1HB ASP 65 -8.340 -1.380 -2.024 495 HB3 ASP 65 2HB ASP 65 -8.168 -1.070 -0.298 496 H GLU 66 H GLU 66 -4.734 1.353 -1.373 497 HA GLU 66 HA GLU 66 -3.969 1.093 1.353 498 HB2 GLU 66 1HB GLU 66 -2.683 3.162 0.965 499 HB3 GLU 66 2HB GLU 66 -2.410 1.962 -0.291 500 HG2 GLU 66 1HG GLU 66 -3.803 3.142 -1.824 501 HG3 GLU 66 2HG GLU 66 -4.340 4.251 -0.564 502 H ASP 67 H ASP 67 -6.393 2.929 -0.313 503 HA ASP 67 HA ASP 67 -6.900 4.606 2.024 504 HB2 ASP 67 1HB ASP 67 -8.686 5.597 0.478 505 HB3 ASP 67 2HB ASP 67 -7.003 5.860 0.030 506 H GLY 68 H GLY 68 -7.812 1.616 0.865 507 HA2 GLY 68 1HA GLY 68 -9.534 0.174 1.347 508 HA3 GLY 68 2HA GLY 68 -9.638 1.053 2.864 509 H SER 69 H SER 69 -10.268 2.286 -0.389 510 HA SER 69 HA SER 69 -12.729 3.465 0.432 511 HG SER 69 HG SER 69 -10.614 3.598 -2.930 512 HB2 SER 69 1HB SER 69 -12.963 3.958 -2.050 513 HB3 SER 69 2HB SER 69 -11.508 4.591 -1.280 514 H GLY 70 H GLY 70 -11.839 0.423 -0.953 515 HA2 GLY 70 1HA GLY 70 -13.344 -1.441 -0.780 516 HA3 GLY 70 2HA GLY 70 -14.685 -0.327 -1.002 517 H THR 71 H THR 71 -12.106 0.336 -3.079 518 HA THR 71 HA THR 71 -12.970 -1.469 -5.182 519 HB THR 71 HB THR 71 -13.362 0.403 -6.791 520 HG1 THR 71 HG1 THR 71 -13.626 2.037 -4.479 521 HG21 THR 71 3HG2 THR 71 -15.621 0.644 -6.255 522 HG22 THR 71 1HG2 THR 71 -15.308 0.649 -4.520 523 HG23 THR 71 2HG2 THR 71 -15.169 -0.851 -5.437 524 H VAL 72 H VAL 72 -11.707 -0.947 -7.267 525 HA VAL 72 HA VAL 72 -8.926 -0.418 -6.486 526 HB VAL 72 HB VAL 72 -10.148 -2.021 -8.711 527 HG11 VAL 72 1HG1 VAL 72 -7.781 -2.341 -9.534 528 HG12 VAL 72 2HG1 VAL 72 -8.510 -0.771 -9.877 529 HG13 VAL 72 3HG1 VAL 72 -7.346 -0.936 -8.562 530 HG21 VAL 72 3HG2 VAL 72 -7.983 -3.342 -7.562 531 HG22 VAL 72 1HG2 VAL 72 -8.800 -2.552 -6.214 532 HG23 VAL 72 2HG2 VAL 72 -9.693 -3.651 -7.264 533 H ASP 73 H ASP 73 -7.857 1.298 -7.235 534 HA ASP 73 HA ASP 73 -9.217 3.036 -9.162 535 HB2 ASP 73 1HB ASP 73 -6.816 3.656 -7.431 536 HB3 ASP 73 2HB ASP 73 -7.770 4.806 -8.363 537 H PHE 74 H PHE 74 -7.237 4.472 -10.258 538 HA PHE 74 HA PHE 74 -6.307 2.870 -12.344 539 HD1 PHE 74 HD2 PHE 74 -4.519 2.987 -13.733 540 HD2 PHE 74 HD1 PHE 74 -6.425 6.787 -13.936 541 HE1 PHE 74 HE2 PHE 74 -4.279 2.972 -16.182 542 HE2 PHE 74 HE1 PHE 74 -6.189 6.778 -16.385 543 HZ PHE 74 HZ PHE 74 -5.114 4.870 -17.511 544 HB2 PHE 74 1HB PHE 74 -6.457 5.546 -11.925 545 HB3 PHE 74 2HB PHE 74 -4.723 5.295 -11.753 546 H ASP 75 H ASP 75 -4.576 4.123 -9.506 547 HA ASP 75 HA ASP 75 -2.080 2.970 -10.143 548 HB2 ASP 75 1HB ASP 75 -3.315 4.072 -7.645 549 HB3 ASP 75 2HB ASP 75 -1.785 3.204 -7.545 550 H GLU 76 H GLU 76 -4.502 1.940 -7.731 551 HA GLU 76 HA GLU 76 -3.310 -0.449 -6.995 552 HB2 GLU 76 1HB GLU 76 -6.267 0.154 -7.185 553 HB3 GLU 76 2HB GLU 76 -5.553 -1.169 -6.273 554 HG2 GLU 76 1HG GLU 76 -4.726 0.215 -4.641 555 HG3 GLU 76 2HG GLU 76 -4.681 1.620 -5.704 556 H TRP 77 H TRP 77 -5.341 0.282 -9.764 557 HA TRP 77 HA TRP 77 -5.760 -2.401 -10.585 558 HD1 TRP 77 HD1 TRP 77 -8.543 -2.388 -12.661 559 HE1 TRP 77 HE1 TRP 77 -8.331 -3.458 -14.992 560 HE3 TRP 77 HE3 TRP 77 -3.940 -0.586 -13.966 561 HZ2 TRP 77 HZ2 TRP 77 -6.460 -3.530 -17.104 562 HZ3 TRP 77 HZ3 TRP 77 -3.010 -1.203 -16.159 563 HH2 TRP 77 HH2 TRP 77 -4.245 -2.645 -17.694 564 HB2 TRP 77 1HB TRP 77 -7.204 -0.588 -11.359 565 HB3 TRP 77 2HB TRP 77 -5.844 0.165 -12.187 566 H LEU 78 H LEU 78 -3.183 -0.108 -11.062 567 HA LEU 78 HA LEU 78 -1.945 -1.476 -13.243 568 HG LEU 78 HG LEU 78 -1.318 0.205 -14.418 569 HB2 LEU 78 1HB LEU 78 -1.412 0.863 -11.586 570 HB3 LEU 78 2HB LEU 78 0.048 -0.021 -12.025 571 HD11 LEU 78 1HD1 LEU 78 -2.903 1.773 -13.763 572 HD12 LEU 78 2HD1 LEU 78 -1.619 2.759 -14.461 573 HD13 LEU 78 3HD1 LEU 78 -1.772 2.622 -12.709 574 HD21 LEU 78 3HD2 LEU 78 0.843 0.629 -14.785 575 HD22 LEU 78 1HD2 LEU 78 1.087 1.255 -13.155 576 HD23 LEU 78 2HD2 LEU 78 0.451 2.309 -14.418 577 H VAL 79 H VAL 79 -1.253 -1.271 -9.759 578 HA VAL 79 HA VAL 79 0.954 -3.007 -9.755 579 HB VAL 79 HB VAL 79 0.530 -3.273 -7.337 580 HG11 VAL 79 1HG1 VAL 79 0.282 -0.606 -7.002 581 HG12 VAL 79 2HG1 VAL 79 1.773 -1.400 -7.512 582 HG13 VAL 79 3HG1 VAL 79 0.703 -0.676 -8.713 583 HG21 VAL 79 3HG2 VAL 79 -1.935 -3.340 -7.475 584 HG22 VAL 79 1HG2 VAL 79 -1.352 -2.186 -6.277 585 HG23 VAL 79 2HG2 VAL 79 -1.940 -1.614 -7.838 586 H MET 80 H MET 80 -2.469 -3.608 -9.815 587 HA MET 80 HA MET 80 -2.653 -6.170 -8.809 588 HB2 MET 80 1HB MET 80 -4.158 -4.610 -10.836 589 HB3 MET 80 2HB MET 80 -4.423 -6.348 -10.818 590 HG2 MET 80 1HG MET 80 -4.762 -5.985 -8.261 591 HG3 MET 80 2HG MET 80 -5.053 -4.313 -8.736 592 HE1 MET 80 3HE MET 80 -6.118 -4.244 -11.225 593 HE2 MET 80 1HE MET 80 -6.819 -5.717 -11.895 594 HE3 MET 80 2HE MET 80 -7.865 -4.482 -11.195 595 H MET 81 H MET 81 -1.844 -5.188 -12.130 596 HA MET 81 HA MET 81 -1.531 -7.800 -13.146 597 HB2 MET 81 1HB MET 81 -1.448 -5.226 -14.183 598 HB3 MET 81 2HB MET 81 0.190 -5.823 -14.417 599 HG2 MET 81 1HG MET 81 -0.881 -6.421 -16.375 600 HG3 MET 81 2HG MET 81 -0.929 -7.901 -15.420 601 HE1 MET 81 3HE MET 81 -2.843 -4.732 -16.526 602 HE2 MET 81 1HE MET 81 -4.505 -5.056 -16.031 603 HE3 MET 81 2HE MET 81 -3.273 -4.716 -14.815 604 H ALA 82 H ALA 82 0.750 -5.521 -11.697 605 HA ALA 82 HA ALA 82 3.136 -6.835 -12.194 606 HB1 ALA 82 1HB ALA 82 3.290 -5.791 -9.570 607 HB2 ALA 82 2HB ALA 82 3.878 -5.074 -11.071 608 HB3 ALA 82 3HB ALA 82 2.244 -4.723 -10.506 609 H ARG 83 H ARG 83 0.726 -7.443 -9.692 610 HA ARG 83 HA ARG 83 2.222 -9.272 -8.164 611 HE ARG 83 HE ARG 83 -0.557 -9.957 -3.570 612 HB2 ARG 83 1HB ARG 83 -0.110 -8.092 -7.745 613 HB3 ARG 83 2HB ARG 83 -0.735 -9.586 -8.429 614 HG2 ARG 83 1HG ARG 83 -0.114 -10.833 -6.638 615 HG3 ARG 83 2HG ARG 83 1.287 -9.821 -6.280 616 HD2 ARG 83 1HD ARG 83 0.068 -8.333 -5.044 617 HD3 ARG 83 2HD ARG 83 -1.416 -8.634 -5.948 618 HH11 ARG 83 1HH1 ARG 83 -2.355 -10.374 -6.522 619 HH12 ARG 83 2HH1 ARG 83 -3.360 -11.633 -5.885 620 HH21 ARG 83 1HH2 ARG 83 -1.875 -11.614 -2.720 621 HH22 ARG 83 2HH2 ARG 83 -3.087 -12.337 -3.722 622 H CYS 84 H CYS 84 0.567 -9.581 -11.183 623 HA CYS 84 HA CYS 84 0.242 -12.406 -11.158 624 HG CYS 84 HG CYS 84 -0.022 -13.801 -13.380 625 HB2 CYS 84 1HB CYS 84 -0.978 -10.759 -12.652 626 HB3 CYS 84 2HB CYS 84 0.498 -10.654 -13.604 627 H MET 85 H MET 85 2.937 -10.368 -11.591 628 HA MET 85 HA MET 85 4.473 -12.097 -13.275 629 HB2 MET 85 1HB MET 85 5.273 -9.789 -11.498 630 HB3 MET 85 2HB MET 85 6.383 -10.634 -12.569 631 HG2 MET 85 1HG MET 85 3.900 -9.184 -13.459 632 HG3 MET 85 2HG MET 85 5.532 -8.521 -13.505 633 HE1 MET 85 3HE MET 85 6.953 -8.582 -15.432 634 HE2 MET 85 1HE MET 85 7.561 -10.129 -14.841 635 HE3 MET 85 2HE MET 85 7.143 -9.939 -16.544 636 H LYS 86 H LYS 86 3.967 -11.764 -9.842 637 HA LYS 86 HA LYS 86 6.218 -13.317 -9.030 638 HB2 LYS 86 1HB LYS 86 5.340 -11.848 -7.402 639 HB3 LYS 86 2HB LYS 86 3.697 -12.423 -7.650 640 HG2 LYS 86 1HG LYS 86 5.692 -14.395 -6.704 641 HG3 LYS 86 2HG LYS 86 5.171 -13.149 -5.566 642 HD2 LYS 86 1HD LYS 86 2.874 -14.167 -6.907 643 HD3 LYS 86 2HD LYS 86 3.825 -15.531 -6.315 644 HE2 LYS 86 1HE LYS 86 3.860 -14.521 -4.080 645 HE3 LYS 86 2HE LYS 86 2.893 -13.174 -4.678 646 HZ1 LYS 86 3HZ LYS 86 1.792 -15.811 -5.163 647 HZ2 LYS 86 1HZ LYS 86 1.024 -14.392 -4.653 648 HZ3 LYS 86 2HZ LYS 86 1.861 -15.349 -3.537 649 H ASP 87 H ASP 87 3.136 -14.074 -10.303 650 HA ASP 87 HA ASP 87 2.880 -16.680 -9.144 651 HB2 ASP 87 1HB ASP 87 0.888 -15.542 -9.890 652 HB3 ASP 87 2HB ASP 87 1.533 -15.388 -11.522 653 H ASP 88 H ASP 88 4.863 -17.705 -9.543 654 HA ASP 88 HA ASP 88 5.578 -18.199 -12.339 655 HB2 ASP 88 1HB ASP 88 7.048 -18.692 -9.746 656 HB3 ASP 88 2HB ASP 88 7.638 -19.249 -11.309 657 H SER 89 H SER 89 4.253 -19.756 -9.543 658 HA SER 89 HA SER 89 4.636 -22.432 -10.569 659 HG SER 89 HG SER 89 2.301 -23.222 -7.883 660 HB2 SER 89 1HB SER 89 4.693 -22.229 -8.190 661 HB3 SER 89 2HB SER 89 3.172 -21.336 -8.164 Start of MODEL 20 1 HA MET 1 HA MET 1 2.726 -1.075 -3.606 2 H1 MET 1 H MET 1 1.045 -2.559 -2.686 3 HB2 MET 1 1HB MET 1 2.749 0.743 -1.841 4 HB3 MET 1 2HB MET 1 1.161 0.169 -2.334 5 HG2 MET 1 1HG MET 1 0.969 -1.162 -0.340 6 HG3 MET 1 2HG MET 1 2.616 -0.751 0.132 7 HE1 MET 1 3HE MET 1 3.007 2.367 1.106 8 HE2 MET 1 1HE MET 1 2.225 1.665 2.523 9 HE3 MET 1 2HE MET 1 3.244 0.661 1.491 10 H ASP 2 H ASP 2 4.063 -3.419 -2.387 11 HA ASP 2 HA ASP 2 6.205 -2.408 -0.766 12 HB2 ASP 2 1HB ASP 2 5.574 -5.048 -2.042 13 HB3 ASP 2 2HB ASP 2 7.183 -4.752 -1.388 14 H ASP 3 H ASP 3 8.530 -2.989 -1.499 15 HA ASP 3 HA ASP 3 9.107 -1.385 -3.780 16 HB2 ASP 3 1HB ASP 3 11.437 -1.851 -3.296 17 HB3 ASP 3 2HB ASP 3 10.585 -1.526 -1.788 18 H ILE 4 H ILE 4 8.664 -4.776 -3.254 19 HA ILE 4 HA ILE 4 10.059 -5.716 -5.543 20 HB ILE 4 HB ILE 4 9.562 -7.249 -3.748 21 HG12 ILE 4 1HG1 ILE 4 7.736 -8.381 -5.773 22 HG13 ILE 4 2HG1 ILE 4 9.282 -7.815 -6.395 23 HG21 ILE 4 1HG2 ILE 4 6.673 -6.671 -4.374 24 HG22 ILE 4 2HG2 ILE 4 7.219 -7.987 -3.337 25 HG23 ILE 4 3HG2 ILE 4 7.536 -6.314 -2.879 26 HD11 ILE 4 3HD1 ILE 4 10.011 -9.847 -5.853 27 HD12 ILE 4 1HD1 ILE 4 10.045 -9.235 -4.200 28 HD13 ILE 4 2HD1 ILE 4 8.652 -10.152 -4.772 29 H TYR 5 H TYR 5 6.831 -4.501 -4.992 30 HA TYR 5 HA TYR 5 5.860 -5.355 -7.578 31 HD1 TYR 5 HD1 TYR 5 4.631 -6.870 -7.231 32 HD2 TYR 5 HD2 TYR 5 3.320 -4.701 -3.813 33 HE1 TYR 5 HE1 TYR 5 3.784 -8.956 -6.240 34 HE2 TYR 5 HE2 TYR 5 2.471 -6.781 -2.812 35 HH TYR 5 HH TYR 5 2.133 -8.957 -3.095 36 HB2 TYR 5 1HB TYR 5 4.648 -3.627 -5.416 37 HB3 TYR 5 2HB TYR 5 3.830 -4.015 -6.925 38 H LYS 6 H LYS 6 6.775 -2.308 -6.016 39 HA LYS 6 HA LYS 6 6.198 -0.648 -8.233 40 HB2 LYS 6 1HB LYS 6 7.258 1.086 -7.035 41 HB3 LYS 6 2HB LYS 6 6.537 0.053 -5.807 42 HG2 LYS 6 1HG LYS 6 8.577 0.321 -4.870 43 HG3 LYS 6 2HG LYS 6 8.944 -1.069 -5.895 44 HD2 LYS 6 1HD LYS 6 10.157 0.182 -7.388 45 HD3 LYS 6 2HD LYS 6 9.267 1.665 -7.034 46 HE2 LYS 6 1HE LYS 6 10.954 0.452 -4.898 47 HE3 LYS 6 2HE LYS 6 11.745 1.326 -6.208 48 HZ1 LYS 6 3HZ LYS 6 10.681 2.432 -3.958 49 HZ2 LYS 6 1HZ LYS 6 9.511 2.754 -5.137 50 HZ3 LYS 6 2HZ LYS 6 11.106 3.266 -5.367 51 H ALA 7 H ALA 7 9.030 -2.476 -7.269 52 HA ALA 7 HA ALA 7 10.838 -1.288 -9.111 53 HB1 ALA 7 1HB ALA 7 10.869 -3.853 -7.552 54 HB2 ALA 7 2HB ALA 7 12.155 -3.435 -8.686 55 HB3 ALA 7 3HB ALA 7 11.828 -2.395 -7.300 56 H ALA 8 H ALA 8 8.531 -3.907 -9.312 57 HA ALA 8 HA ALA 8 9.516 -5.026 -11.740 58 HB1 ALA 8 1HB ALA 8 6.761 -5.582 -11.511 59 HB2 ALA 8 2HB ALA 8 8.121 -6.632 -11.115 60 HB3 ALA 8 3HB ALA 8 7.427 -5.585 -9.878 61 H VAL 9 H VAL 9 6.954 -2.703 -10.962 62 HA VAL 9 HA VAL 9 6.071 -2.389 -13.652 63 HB VAL 9 HB VAL 9 4.955 -0.310 -12.769 64 HG11 VAL 9 1HG1 VAL 9 3.476 -2.033 -12.725 65 HG12 VAL 9 2HG1 VAL 9 4.536 -3.066 -11.764 66 HG13 VAL 9 3HG1 VAL 9 3.621 -1.773 -10.987 67 HG21 VAL 9 3HG2 VAL 9 6.665 0.102 -10.992 68 HG22 VAL 9 1HG2 VAL 9 4.995 0.162 -10.426 69 HG23 VAL 9 2HG2 VAL 9 5.986 -1.260 -10.101 70 H GLU 10 H GLU 10 8.531 -0.881 -11.688 71 HA GLU 10 HA GLU 10 8.937 1.385 -13.373 72 HB2 GLU 10 1HB GLU 10 10.337 0.161 -11.051 73 HB3 GLU 10 2HB GLU 10 11.270 1.238 -12.081 74 HG2 GLU 10 1HG GLU 10 9.026 2.705 -11.709 75 HG3 GLU 10 2HG GLU 10 9.119 1.832 -10.180 76 H GLN 11 H GLN 11 10.084 -1.892 -13.348 77 HA GLN 11 HA GLN 11 12.185 -1.331 -15.282 78 HB2 GLN 11 1HB GLN 11 12.755 -3.687 -15.069 79 HB3 GLN 11 2HB GLN 11 12.605 -2.952 -13.478 80 HG2 GLN 11 1HG GLN 11 10.494 -3.977 -13.112 81 HG3 GLN 11 2HG GLN 11 10.400 -4.519 -14.787 82 HE21 GLN 11 2HE2 GLN 11 10.617 -6.628 -14.881 83 HE22 GLN 11 1HE2 GLN 11 11.740 -7.582 -13.979 84 H LEU 12 H LEU 12 8.974 -1.565 -15.506 85 HA LEU 12 HA LEU 12 8.584 -3.448 -17.592 86 HG LEU 12 HG LEU 12 6.827 -3.211 -15.235 87 HB2 LEU 12 1HB LEU 12 6.997 -1.143 -16.526 88 HB3 LEU 12 2HB LEU 12 6.478 -1.998 -17.977 89 HD11 LEU 12 1HD1 LEU 12 4.442 -3.344 -15.160 90 HD12 LEU 12 2HD1 LEU 12 4.303 -2.716 -16.802 91 HD13 LEU 12 3HD1 LEU 12 4.887 -1.673 -15.506 92 HD21 LEU 12 3HD2 LEU 12 6.511 -4.362 -17.911 93 HD22 LEU 12 1HD2 LEU 12 5.364 -4.966 -16.715 94 HD23 LEU 12 2HD2 LEU 12 7.098 -5.096 -16.418 95 H THR 13 H THR 13 7.443 -2.479 -19.698 96 HA THR 13 HA THR 13 9.469 -0.738 -20.917 97 HB THR 13 HB THR 13 9.353 -2.733 -22.153 98 HG1 THR 13 HG1 THR 13 9.245 -1.503 -23.869 99 HG21 THR 13 3HG2 THR 13 7.472 -3.874 -21.405 100 HG22 THR 13 1HG2 THR 13 7.035 -3.473 -23.065 101 HG23 THR 13 2HG2 THR 13 6.394 -2.516 -21.730 102 H GLU 14 H GLU 14 8.751 0.838 -22.526 103 HA GLU 14 HA GLU 14 6.860 2.616 -21.546 104 HB2 GLU 14 1HB GLU 14 7.976 2.290 -24.332 105 HB3 GLU 14 2HB GLU 14 6.951 3.637 -23.857 106 HG2 GLU 14 1HG GLU 14 8.704 3.982 -21.981 107 HG3 GLU 14 2HG GLU 14 9.740 2.998 -23.012 108 H GLU 15 H GLU 15 6.510 0.021 -23.899 109 HA GLU 15 HA GLU 15 3.913 0.680 -24.783 110 HB2 GLU 15 1HB GLU 15 4.008 -1.246 -26.002 111 HB3 GLU 15 2HB GLU 15 5.720 -1.078 -25.638 112 HG2 GLU 15 1HG GLU 15 5.269 -2.553 -23.615 113 HG3 GLU 15 2HG GLU 15 3.716 -2.910 -24.370 114 H GLN 16 H GLN 16 5.105 -1.096 -22.016 115 HA GLN 16 HA GLN 16 2.703 -2.362 -21.272 116 HB2 GLN 16 1HB GLN 16 5.335 -1.954 -20.139 117 HB3 GLN 16 2HB GLN 16 4.090 -1.807 -18.906 118 HG2 GLN 16 1HG GLN 16 4.873 -4.076 -19.004 119 HG3 GLN 16 2HG GLN 16 3.204 -4.001 -19.566 120 HE21 GLN 16 2HE2 GLN 16 5.934 -5.548 -20.106 121 HE22 GLN 16 1HE2 GLN 16 5.844 -5.809 -21.811 122 H LYS 17 H LYS 17 4.165 0.678 -20.131 123 HA LYS 17 HA LYS 17 2.168 1.431 -18.351 124 HB2 LYS 17 1HB LYS 17 4.337 2.791 -19.809 125 HB3 LYS 17 2HB LYS 17 3.009 3.838 -19.325 126 HG2 LYS 17 1HG LYS 17 4.528 3.958 -17.561 127 HG3 LYS 17 2HG LYS 17 3.290 2.834 -16.997 128 HD2 LYS 17 1HD LYS 17 5.550 1.613 -18.440 129 HD3 LYS 17 2HD LYS 17 5.950 2.348 -16.885 130 HE2 LYS 17 1HE LYS 17 3.621 0.479 -17.182 131 HE3 LYS 17 2HE LYS 17 5.256 -0.128 -16.923 132 HZ1 LYS 17 3HZ LYS 17 5.366 1.198 -14.890 133 HZ2 LYS 17 1HZ LYS 17 4.093 0.085 -14.836 134 HZ3 LYS 17 2HZ LYS 17 3.776 1.720 -15.131 135 H ASN 18 H ASN 18 2.408 1.961 -21.837 136 HA ASN 18 HA ASN 18 0.225 3.679 -22.145 137 HB2 ASN 18 1HB ASN 18 1.900 2.028 -23.875 138 HB3 ASN 18 2HB ASN 18 0.243 2.151 -24.458 139 HD21 ASN 18 2HD2 ASN 18 3.042 3.361 -25.090 140 HD22 ASN 18 1HD2 ASN 18 2.671 5.022 -25.386 141 H GLU 19 H GLU 19 0.360 0.133 -22.467 142 HA GLU 19 HA GLU 19 -2.423 -0.181 -22.889 143 HB2 GLU 19 1HB GLU 19 -0.278 -2.107 -22.000 144 HB3 GLU 19 2HB GLU 19 -1.945 -2.595 -22.271 145 HG2 GLU 19 1HG GLU 19 -0.393 -1.189 -24.406 146 HG3 GLU 19 2HG GLU 19 -0.227 -2.926 -24.153 147 H PHE 20 H PHE 20 -0.409 -0.100 -20.023 148 HA PHE 20 HA PHE 20 -2.321 -1.111 -18.201 149 HD1 PHE 20 HD2 PHE 20 -0.341 -2.275 -19.139 150 HD2 PHE 20 HD1 PHE 20 0.565 -1.006 -15.179 151 HE1 PHE 20 HE2 PHE 20 0.633 -4.482 -18.658 152 HE2 PHE 20 HE1 PHE 20 1.542 -3.211 -14.692 153 HZ PHE 20 HZ PHE 20 1.576 -4.953 -16.432 154 HB2 PHE 20 1HB PHE 20 0.214 0.459 -17.954 155 HB3 PHE 20 2HB PHE 20 -0.836 0.306 -16.548 156 H LYS 21 H LYS 21 -1.701 2.072 -19.509 157 HA LYS 21 HA LYS 21 -3.463 3.408 -17.655 158 HB2 LYS 21 1HB LYS 21 -1.420 4.429 -18.808 159 HB3 LYS 21 2HB LYS 21 -2.420 4.528 -20.252 160 HG2 LYS 21 1HG LYS 21 -3.996 5.962 -19.095 161 HG3 LYS 21 2HG LYS 21 -3.057 5.821 -17.607 162 HD2 LYS 21 1HD LYS 21 -1.102 6.753 -18.981 163 HD3 LYS 21 2HD LYS 21 -2.326 7.213 -20.167 164 HE2 LYS 21 1HE LYS 21 -3.498 8.497 -18.427 165 HE3 LYS 21 2HE LYS 21 -2.240 8.061 -17.272 166 HZ1 LYS 21 3HZ LYS 21 -1.346 9.299 -19.748 167 HZ2 LYS 21 1HZ LYS 21 -0.789 9.515 -18.165 168 HZ3 LYS 21 2HZ LYS 21 -2.195 10.300 -18.681 169 H ALA 22 H ALA 22 -3.572 2.385 -21.043 170 HA ALA 22 HA ALA 22 -6.145 3.464 -21.577 171 HB1 ALA 22 1HB ALA 22 -4.122 2.212 -23.054 172 HB2 ALA 22 2HB ALA 22 -5.553 1.197 -23.239 173 HB3 ALA 22 3HB ALA 22 -5.625 2.908 -23.662 174 H ALA 23 H ALA 23 -5.018 0.192 -20.762 175 HA ALA 23 HA ALA 23 -7.427 -1.164 -20.908 176 HB1 ALA 23 1HB ALA 23 -5.493 -2.456 -20.609 177 HB2 ALA 23 2HB ALA 23 -5.021 -1.570 -19.158 178 HB3 ALA 23 3HB ALA 23 -6.407 -2.660 -19.115 179 H PHE 24 H PHE 24 -6.007 0.439 -18.059 180 HA PHE 24 HA PHE 24 -8.004 -0.097 -16.226 181 HD1 PHE 24 HD1 PHE 24 -7.362 0.646 -13.448 182 HD2 PHE 24 HD2 PHE 24 -7.582 4.132 -15.880 183 HE1 PHE 24 HE1 PHE 24 -8.490 1.846 -11.620 184 HE2 PHE 24 HE2 PHE 24 -8.710 5.338 -14.055 185 HZ PHE 24 HZ PHE 24 -9.165 4.196 -11.922 186 HB2 PHE 24 1HB PHE 24 -5.982 0.907 -15.460 187 HB3 PHE 24 2HB PHE 24 -6.196 2.301 -16.514 188 H ASP 25 H ASP 25 -7.978 2.171 -18.860 189 HA ASP 25 HA ASP 25 -10.118 3.814 -18.009 190 HB2 ASP 25 1HB ASP 25 -8.396 4.178 -19.922 191 HB3 ASP 25 2HB ASP 25 -9.534 3.259 -20.903 192 H ILE 26 H ILE 26 -9.991 0.919 -20.052 193 HA ILE 26 HA ILE 26 -12.748 0.868 -20.677 194 HB ILE 26 HB ILE 26 -10.763 -1.408 -20.608 195 HG12 ILE 26 1HG1 ILE 26 -11.274 -0.847 -23.235 196 HG13 ILE 26 2HG1 ILE 26 -11.342 0.759 -22.517 197 HG21 ILE 26 1HG2 ILE 26 -13.591 -1.416 -20.970 198 HG22 ILE 26 2HG2 ILE 26 -12.817 -1.850 -22.493 199 HG23 ILE 26 3HG2 ILE 26 -12.463 -2.769 -21.030 200 HD11 ILE 26 3HD1 ILE 26 -9.082 -0.162 -21.394 201 HD12 ILE 26 1HD1 ILE 26 -9.056 -1.042 -22.922 202 HD13 ILE 26 2HD1 ILE 26 -9.136 0.721 -22.920 203 H PHE 27 H PHE 27 -10.847 -0.570 -18.075 204 HA PHE 27 HA PHE 27 -12.863 -2.202 -16.992 205 HD1 PHE 27 HD1 PHE 27 -12.036 -4.211 -15.214 206 HD2 PHE 27 HD2 PHE 27 -8.898 -2.247 -17.314 207 HE1 PHE 27 HE1 PHE 27 -11.086 -6.396 -15.829 208 HE2 PHE 27 HE2 PHE 27 -7.943 -4.428 -17.934 209 HZ PHE 27 HZ PHE 27 -9.038 -6.506 -17.192 210 HB2 PHE 27 1HB PHE 27 -10.330 -1.011 -15.926 211 HB3 PHE 27 2HB PHE 27 -11.442 -1.808 -14.819 212 H VAL 28 H VAL 28 -11.794 1.060 -16.041 213 HA VAL 28 HA VAL 28 -14.053 1.356 -14.252 214 HB VAL 28 HB VAL 28 -13.127 3.497 -13.661 215 HG11 VAL 28 1HG1 VAL 28 -10.553 2.159 -13.823 216 HG12 VAL 28 2HG1 VAL 28 -11.524 2.577 -12.410 217 HG13 VAL 28 3HG1 VAL 28 -11.844 1.083 -13.292 218 HG21 VAL 28 3HG2 VAL 28 -12.343 4.629 -15.461 219 HG22 VAL 28 1HG2 VAL 28 -10.805 3.957 -14.917 220 HG23 VAL 28 2HG2 VAL 28 -11.694 3.180 -16.227 221 H LEU 29 H LEU 29 -13.876 1.430 -17.458 222 HA LEU 29 HA LEU 29 -15.009 3.897 -18.212 223 HG LEU 29 HG LEU 29 -16.618 0.859 -19.325 224 HB2 LEU 29 1HB LEU 29 -14.849 3.061 -20.266 225 HB3 LEU 29 2HB LEU 29 -14.105 1.652 -19.513 226 HD11 LEU 29 1HD1 LEU 29 -18.131 1.798 -20.705 227 HD12 LEU 29 2HD1 LEU 29 -16.932 2.183 -21.939 228 HD13 LEU 29 3HD1 LEU 29 -17.102 3.219 -20.522 229 HD21 LEU 29 3HD2 LEU 29 -16.195 0.145 -21.900 230 HD22 LEU 29 1HD2 LEU 29 -15.423 -0.629 -20.515 231 HD23 LEU 29 2HD2 LEU 29 -14.566 0.621 -21.418 232 H GLY 30 H GLY 30 -16.340 1.132 -16.665 233 HA2 GLY 30 1HA GLY 30 -19.082 1.805 -17.393 234 HA3 GLY 30 2HA GLY 30 -18.569 0.441 -16.412 235 H ALA 31 H ALA 31 -16.880 2.247 -14.736 236 HA ALA 31 HA ALA 31 -18.874 2.852 -12.779 237 HB1 ALA 31 1HB ALA 31 -15.981 2.691 -12.889 238 HB2 ALA 31 2HB ALA 31 -16.536 4.060 -11.925 239 HB3 ALA 31 3HB ALA 31 -17.078 2.428 -11.533 240 H GLU 32 H GLU 32 -18.693 5.063 -11.611 241 HA GLU 32 HA GLU 32 -18.952 7.147 -13.670 242 HB2 GLU 32 1HB GLU 32 -20.921 6.475 -12.138 243 HB3 GLU 32 2HB GLU 32 -20.053 7.342 -10.879 244 HG2 GLU 32 1HG GLU 32 -20.279 9.394 -11.972 245 HG3 GLU 32 2HG GLU 32 -20.703 8.631 -13.503 246 H ASP 33 H ASP 33 -17.265 6.225 -10.798 247 HA ASP 33 HA ASP 33 -16.087 8.887 -10.500 248 HB2 ASP 33 1HB ASP 33 -15.667 6.431 -8.785 249 HB3 ASP 33 2HB ASP 33 -15.175 8.079 -8.405 250 H GLY 34 H GLY 34 -15.285 5.610 -11.445 251 HA2 GLY 34 1HA GLY 34 -13.523 5.377 -13.128 252 HA3 GLY 34 2HA GLY 34 -12.609 6.582 -12.234 253 H CYS 35 H CYS 35 -14.351 3.688 -11.126 254 HA CYS 35 HA CYS 35 -11.820 2.435 -10.402 255 HG CYS 35 HG CYS 35 -12.767 4.878 -7.123 256 HB2 CYS 35 1HB CYS 35 -14.014 2.975 -8.389 257 HB3 CYS 35 2HB CYS 35 -12.575 2.006 -8.092 258 H ILE 36 H ILE 36 -12.356 0.214 -9.305 259 HA ILE 36 HA ILE 36 -14.669 -0.988 -10.672 260 HB ILE 36 HB ILE 36 -11.987 -2.341 -10.404 261 HG12 ILE 36 1HG1 ILE 36 -12.623 -1.836 -13.120 262 HG13 ILE 36 2HG1 ILE 36 -12.819 -0.315 -12.256 263 HG21 ILE 36 1HG2 ILE 36 -13.804 -3.900 -10.534 264 HG22 ILE 36 2HG2 ILE 36 -14.505 -3.039 -11.903 265 HG23 ILE 36 3HG2 ILE 36 -12.970 -3.887 -12.088 266 HD11 ILE 36 3HD1 ILE 36 -10.360 -1.951 -11.848 267 HD12 ILE 36 1HD1 ILE 36 -10.525 -0.935 -13.280 268 HD13 ILE 36 2HD1 ILE 36 -10.595 -0.212 -11.672 269 H SER 37 H SER 37 -15.996 -1.912 -9.271 270 HA SER 37 HA SER 37 -14.984 -2.682 -6.634 271 HG SER 37 HG SER 37 -17.767 -3.348 -5.417 272 HB2 SER 37 1HB SER 37 -17.050 -1.174 -7.006 273 HB3 SER 37 2HB SER 37 -17.885 -2.666 -7.442 274 H THR 38 H THR 38 -15.526 -4.710 -5.695 275 HA THR 38 HA THR 38 -15.076 -6.928 -7.301 276 HB THR 38 HB THR 38 -14.681 -7.082 -4.938 277 HG1 THR 38 HG1 THR 38 -16.299 -8.965 -4.545 278 HG21 THR 38 3HG2 THR 38 -17.551 -6.306 -4.754 279 HG22 THR 38 1HG2 THR 38 -16.173 -5.761 -3.799 280 HG23 THR 38 2HG2 THR 38 -16.882 -7.347 -3.498 281 H LYS 39 H LYS 39 -18.024 -5.250 -6.621 282 HA LYS 39 HA LYS 39 -19.873 -7.295 -7.201 283 HB2 LYS 39 1HB LYS 39 -20.328 -5.032 -6.125 284 HB3 LYS 39 2HB LYS 39 -20.299 -4.360 -7.750 285 HG2 LYS 39 1HG LYS 39 -22.135 -5.893 -8.375 286 HG3 LYS 39 2HG LYS 39 -22.200 -6.446 -6.700 287 HD2 LYS 39 1HD LYS 39 -23.861 -4.824 -6.773 288 HD3 LYS 39 2HD LYS 39 -22.477 -3.936 -6.132 289 HE2 LYS 39 1HE LYS 39 -21.986 -3.243 -8.514 290 HE3 LYS 39 2HE LYS 39 -23.564 -3.906 -8.939 291 HZ1 LYS 39 3HZ LYS 39 -22.935 -1.408 -7.749 292 HZ2 LYS 39 1HZ LYS 39 -24.002 -2.275 -6.764 293 HZ3 LYS 39 2HZ LYS 39 -24.410 -1.952 -8.373 294 H GLU 40 H GLU 40 -18.622 -4.673 -9.270 295 HA GLU 40 HA GLU 40 -19.832 -5.793 -11.624 296 HB2 GLU 40 1HB GLU 40 -17.732 -3.629 -11.460 297 HB3 GLU 40 2HB GLU 40 -18.805 -3.961 -12.812 298 HG2 GLU 40 1HG GLU 40 -19.811 -3.148 -10.103 299 HG3 GLU 40 2HG GLU 40 -19.397 -1.986 -11.362 300 H LEU 41 H LEU 41 -16.652 -5.793 -10.144 301 HA LEU 41 HA LEU 41 -15.170 -6.782 -12.310 302 HG LEU 41 HG LEU 41 -13.224 -8.702 -10.306 303 HB2 LEU 41 1HB LEU 41 -14.142 -5.845 -10.310 304 HB3 LEU 41 2HB LEU 41 -14.750 -7.193 -9.352 305 HD11 LEU 41 1HD1 LEU 41 -13.168 -8.477 -12.563 306 HD12 LEU 41 2HD1 LEU 41 -11.656 -7.655 -12.178 307 HD13 LEU 41 3HD1 LEU 41 -13.113 -6.715 -12.501 308 HD21 LEU 41 3HD2 LEU 41 -11.803 -7.717 -8.874 309 HD22 LEU 41 1HD2 LEU 41 -12.194 -6.094 -9.442 310 HD23 LEU 41 2HD2 LEU 41 -11.040 -7.086 -10.334 311 H GLY 42 H GLY 42 -16.882 -8.471 -9.698 312 HA2 GLY 42 1HA GLY 42 -16.126 -11.075 -10.219 313 HA3 GLY 42 2HA GLY 42 -17.700 -10.616 -9.589 314 H LYS 43 H LYS 43 -18.528 -9.123 -11.900 315 HA LYS 43 HA LYS 43 -19.592 -11.264 -13.446 316 HB2 LYS 43 1HB LYS 43 -19.963 -8.382 -13.229 317 HB3 LYS 43 2HB LYS 43 -20.046 -8.938 -14.896 318 HG2 LYS 43 1HG LYS 43 -21.646 -10.751 -13.880 319 HG3 LYS 43 2HG LYS 43 -21.831 -9.554 -12.597 320 HD2 LYS 43 1HD LYS 43 -23.283 -8.448 -13.865 321 HD3 LYS 43 2HD LYS 43 -22.014 -8.179 -15.062 322 HE2 LYS 43 1HE LYS 43 -23.840 -9.238 -16.171 323 HE3 LYS 43 2HE LYS 43 -22.551 -10.430 -16.011 324 HZ1 LYS 43 3HZ LYS 43 -23.808 -11.716 -14.708 325 HZ2 LYS 43 1HZ LYS 43 -25.119 -10.823 -15.296 326 HZ3 LYS 43 2HZ LYS 43 -24.415 -10.414 -13.814 327 H VAL 44 H VAL 44 -17.290 -8.652 -14.190 328 HA VAL 44 HA VAL 44 -16.756 -9.322 -16.834 329 HB VAL 44 HB VAL 44 -14.758 -8.210 -14.860 330 HG11 VAL 44 1HG1 VAL 44 -14.423 -7.062 -17.382 331 HG12 VAL 44 2HG1 VAL 44 -13.372 -8.244 -16.600 332 HG13 VAL 44 3HG1 VAL 44 -14.655 -8.783 -17.683 333 HG21 VAL 44 3HG2 VAL 44 -15.583 -6.006 -15.956 334 HG22 VAL 44 1HG2 VAL 44 -17.027 -6.943 -16.340 335 HG23 VAL 44 2HG2 VAL 44 -16.533 -6.734 -14.660 336 H MET 45 H MET 45 -15.652 -10.796 -13.879 337 HA MET 45 HA MET 45 -13.378 -12.132 -14.689 338 HB2 MET 45 1HB MET 45 -15.571 -13.078 -12.837 339 HB3 MET 45 2HB MET 45 -14.004 -13.861 -12.993 340 HG2 MET 45 1HG MET 45 -13.887 -10.985 -12.446 341 HG3 MET 45 2HG MET 45 -14.614 -11.956 -11.168 342 HE1 MET 45 3HE MET 45 -11.637 -12.105 -13.719 343 HE2 MET 45 1HE MET 45 -10.505 -13.151 -12.862 344 HE3 MET 45 2HE MET 45 -12.047 -13.796 -13.426 345 H ARG 46 H ARG 46 -16.703 -12.765 -15.503 346 HA ARG 46 HA ARG 46 -16.516 -15.415 -16.365 347 HE ARG 46 HE ARG 46 -19.439 -11.957 -20.086 348 HB2 ARG 46 1HB ARG 46 -18.576 -15.085 -17.438 349 HB3 ARG 46 2HB ARG 46 -18.599 -13.940 -16.103 350 HG2 ARG 46 1HG ARG 46 -17.990 -12.136 -17.622 351 HG3 ARG 46 2HG ARG 46 -17.935 -13.281 -18.965 352 HD2 ARG 46 1HD ARG 46 -20.390 -13.812 -18.134 353 HD3 ARG 46 2HD ARG 46 -20.272 -12.172 -17.497 354 HH11 ARG 46 1HH1 ARG 46 -22.299 -13.173 -18.517 355 HH12 ARG 46 2HH1 ARG 46 -23.349 -12.779 -19.837 356 HH21 ARG 46 1HH2 ARG 46 -20.811 -11.433 -21.831 357 HH22 ARG 46 2HH2 ARG 46 -22.502 -11.790 -21.722 358 H MET 47 H MET 47 -15.593 -12.419 -17.924 359 HA MET 47 HA MET 47 -15.271 -13.451 -20.540 360 HB2 MET 47 1HB MET 47 -14.119 -11.046 -19.136 361 HB3 MET 47 2HB MET 47 -13.754 -11.420 -20.815 362 HG2 MET 47 1HG MET 47 -16.608 -11.354 -20.077 363 HG3 MET 47 2HG MET 47 -15.751 -9.815 -20.055 364 HE1 MET 47 3HE MET 47 -17.440 -9.302 -23.425 365 HE2 MET 47 1HE MET 47 -18.242 -10.227 -22.155 366 HE3 MET 47 2HE MET 47 -17.267 -8.818 -21.737 367 H LEU 48 H LEU 48 -13.208 -13.362 -17.716 368 HA LEU 48 HA LEU 48 -10.816 -14.112 -19.098 369 HG LEU 48 HG LEU 48 -9.725 -12.419 -15.997 370 HB2 LEU 48 1HB LEU 48 -11.623 -13.981 -16.214 371 HB3 LEU 48 2HB LEU 48 -10.082 -14.688 -16.697 372 HD11 LEU 48 1HD1 LEU 48 -8.447 -13.293 -17.938 373 HD12 LEU 48 2HD1 LEU 48 -8.616 -11.537 -17.930 374 HD13 LEU 48 3HD1 LEU 48 -9.615 -12.513 -19.006 375 HD21 LEU 48 3HD2 LEU 48 -12.163 -11.789 -16.604 376 HD22 LEU 48 1HD2 LEU 48 -11.489 -11.394 -18.186 377 HD23 LEU 48 2HD2 LEU 48 -10.899 -10.567 -16.744 378 H GLY 49 H GLY 49 -13.543 -15.796 -17.837 379 HA2 GLY 49 1HA GLY 49 -13.872 -18.062 -18.712 380 HA3 GLY 49 2HA GLY 49 -12.169 -18.352 -18.390 381 H GLN 50 H GLN 50 -13.511 -16.514 -15.936 382 HA GLN 50 HA GLN 50 -14.236 -18.881 -14.355 383 HB2 GLN 50 1HB GLN 50 -12.420 -16.650 -13.427 384 HB3 GLN 50 2HB GLN 50 -12.994 -17.981 -12.431 385 HG2 GLN 50 1HG GLN 50 -10.850 -18.623 -13.026 386 HG3 GLN 50 2HG GLN 50 -11.875 -19.502 -14.160 387 HE21 GLN 50 2HE2 GLN 50 -10.438 -16.258 -13.964 388 HE22 GLN 50 1HE2 GLN 50 -9.788 -16.265 -15.565 389 H ASN 51 H ASN 51 -15.393 -18.300 -12.324 390 HA ASN 51 HA ASN 51 -16.751 -15.715 -12.406 391 HB2 ASN 51 1HB ASN 51 -18.420 -18.184 -12.059 392 HB3 ASN 51 2HB ASN 51 -18.919 -16.564 -12.540 393 HD21 ASN 51 2HD2 ASN 51 -17.900 -19.637 -13.580 394 HD22 ASN 51 1HD2 ASN 51 -17.887 -19.318 -15.278 395 HA PRO 52 HA PRO 52 -15.581 -17.290 -8.152 396 HB2 PRO 52 1HB PRO 52 -14.093 -15.125 -7.465 397 HB3 PRO 52 2HB PRO 52 -13.419 -16.526 -8.307 398 HG2 PRO 52 1HG PRO 52 -14.293 -13.887 -9.419 399 HG3 PRO 52 2HG PRO 52 -12.847 -14.840 -9.803 400 HD2 PRO 52 1HD PRO 52 -15.045 -14.827 -11.384 401 HD3 PRO 52 2HD PRO 52 -13.998 -16.251 -11.216 402 H THR 53 H THR 53 -16.614 -16.696 -6.292 403 HA THR 53 HA THR 53 -18.878 -15.088 -6.402 404 HB THR 53 HB THR 53 -18.334 -15.044 -3.739 405 HG1 THR 53 HG1 THR 53 -17.195 -17.491 -4.588 406 HG21 THR 53 3HG2 THR 53 -19.392 -17.387 -5.325 407 HG22 THR 53 1HG2 THR 53 -20.327 -15.997 -4.777 408 HG23 THR 53 2HG2 THR 53 -19.644 -17.120 -3.601 409 HA PRO 54 HA PRO 54 -17.601 -10.934 -5.788 410 HB2 PRO 54 1HB PRO 54 -19.514 -9.980 -4.114 411 HB3 PRO 54 2HB PRO 54 -19.823 -10.349 -5.815 412 HG2 PRO 54 1HG PRO 54 -20.420 -11.989 -3.383 413 HG3 PRO 54 2HG PRO 54 -21.431 -11.695 -4.810 414 HD2 PRO 54 1HD PRO 54 -20.012 -13.977 -4.474 415 HD3 PRO 54 2HD PRO 54 -20.325 -13.274 -6.074 416 H GLU 55 H GLU 55 -18.678 -12.348 -2.688 417 HA GLU 55 HA GLU 55 -17.069 -10.671 -1.080 418 HB2 GLU 55 1HB GLU 55 -18.400 -13.324 -0.548 419 HB3 GLU 55 2HB GLU 55 -17.501 -12.451 0.684 420 HG2 GLU 55 1HG GLU 55 -19.049 -10.487 0.167 421 HG3 GLU 55 2HG GLU 55 -20.048 -11.665 -0.682 422 H GLU 56 H GLU 56 -16.543 -13.835 -2.527 423 HA GLU 56 HA GLU 56 -14.140 -14.434 -1.149 424 HB2 GLU 56 1HB GLU 56 -15.555 -16.109 -2.339 425 HB3 GLU 56 2HB GLU 56 -15.019 -15.423 -3.866 426 HG2 GLU 56 1HG GLU 56 -13.547 -17.132 -3.711 427 HG3 GLU 56 2HG GLU 56 -12.635 -15.909 -2.827 428 H LEU 57 H LEU 57 -14.679 -13.302 -4.489 429 HA LEU 57 HA LEU 57 -11.976 -12.877 -5.100 430 HG LEU 57 HG LEU 57 -14.872 -10.626 -5.548 431 HB2 LEU 57 1HB LEU 57 -12.700 -11.979 -7.075 432 HB3 LEU 57 2HB LEU 57 -14.112 -12.922 -6.600 433 HD11 LEU 57 1HD1 LEU 57 -12.488 -9.835 -6.673 434 HD12 LEU 57 2HD1 LEU 57 -13.812 -8.775 -6.190 435 HD13 LEU 57 3HD1 LEU 57 -13.688 -9.325 -7.861 436 HD21 LEU 57 3HD2 LEU 57 -15.037 -11.586 -8.376 437 HD22 LEU 57 1HD2 LEU 57 -15.803 -10.069 -7.904 438 HD23 LEU 57 2HD2 LEU 57 -16.277 -11.577 -7.121 439 H GLN 58 H GLN 58 -14.362 -10.845 -3.532 440 HA GLN 58 HA GLN 58 -13.077 -8.378 -3.687 441 HB2 GLN 58 1HB GLN 58 -15.278 -8.340 -2.879 442 HB3 GLN 58 2HB GLN 58 -14.956 -9.585 -1.678 443 HG2 GLN 58 1HG GLN 58 -14.076 -8.119 -0.184 444 HG3 GLN 58 2HG GLN 58 -13.471 -7.034 -1.435 445 HE21 GLN 58 2HE2 GLN 58 -14.320 -5.182 -0.595 446 HE22 GLN 58 1HE2 GLN 58 -16.016 -4.861 -0.515 447 H GLU 59 H GLU 59 -12.315 -11.182 -1.826 448 HA GLU 59 HA GLU 59 -10.889 -10.064 0.296 449 HB2 GLU 59 1HB GLU 59 -10.434 -12.666 -1.172 450 HB3 GLU 59 2HB GLU 59 -9.666 -12.240 0.351 451 HG2 GLU 59 1HG GLU 59 -12.647 -12.299 0.034 452 HG3 GLU 59 2HG GLU 59 -11.715 -13.736 0.450 453 H MET 60 H MET 60 -9.716 -11.118 -2.896 454 HA MET 60 HA MET 60 -7.032 -10.385 -2.503 455 HB2 MET 60 1HB MET 60 -8.725 -10.822 -4.945 456 HB3 MET 60 2HB MET 60 -7.065 -10.260 -5.095 457 HG2 MET 60 1HG MET 60 -6.839 -12.537 -5.318 458 HG3 MET 60 2HG MET 60 -6.492 -12.290 -3.608 459 HE1 MET 60 3HE MET 60 -6.620 -14.405 -3.009 460 HE2 MET 60 1HE MET 60 -8.095 -15.105 -2.340 461 HE3 MET 60 2HE MET 60 -7.560 -15.557 -3.959 462 H ILE 61 H ILE 61 -9.847 -8.542 -3.396 463 HA ILE 61 HA ILE 61 -8.416 -6.263 -4.373 464 HB ILE 61 HB ILE 61 -11.284 -6.661 -3.542 465 HG12 ILE 61 1HG1 ILE 61 -9.962 -6.163 -6.219 466 HG13 ILE 61 2HG1 ILE 61 -10.597 -7.704 -5.653 467 HG21 ILE 61 1HG2 ILE 61 -9.952 -4.154 -4.552 468 HG22 ILE 61 2HG2 ILE 61 -11.697 -4.402 -4.501 469 HG23 ILE 61 3HG2 ILE 61 -10.765 -4.384 -3.004 470 HD11 ILE 61 3HD1 ILE 61 -12.169 -5.214 -6.261 471 HD12 ILE 61 1HD1 ILE 61 -12.154 -6.719 -7.180 472 HD13 ILE 61 2HD1 ILE 61 -12.848 -6.683 -5.559 473 H ASP 62 H ASP 62 -9.403 -7.406 -1.264 474 HA ASP 62 HA ASP 62 -9.440 -4.963 0.142 475 HB2 ASP 62 1HB ASP 62 -10.251 -7.291 0.899 476 HB3 ASP 62 2HB ASP 62 -8.576 -7.574 1.364 477 H GLU 63 H GLU 63 -6.853 -7.362 -0.311 478 HA GLU 63 HA GLU 63 -4.905 -5.856 1.117 479 HB2 GLU 63 1HB GLU 63 -5.075 -8.434 0.101 480 HB3 GLU 63 2HB GLU 63 -3.815 -7.685 -0.870 481 HG2 GLU 63 1HG GLU 63 -2.902 -6.903 1.447 482 HG3 GLU 63 2HG GLU 63 -3.877 -8.239 2.054 483 H VAL 64 H VAL 64 -6.098 -5.791 -2.117 484 HA VAL 64 HA VAL 64 -3.808 -4.438 -3.233 485 HB VAL 64 HB VAL 64 -6.577 -4.907 -4.345 486 HG11 VAL 64 1HG1 VAL 64 -5.463 -4.292 -6.533 487 HG12 VAL 64 2HG1 VAL 64 -5.778 -2.959 -5.420 488 HG13 VAL 64 3HG1 VAL 64 -4.149 -3.620 -5.568 489 HG21 VAL 64 3HG2 VAL 64 -5.823 -6.840 -5.206 490 HG22 VAL 64 1HG2 VAL 64 -4.245 -6.160 -5.603 491 HG23 VAL 64 2HG2 VAL 64 -4.577 -6.717 -3.963 492 H ASP 65 H ASP 65 -7.085 -3.548 -2.217 493 HA ASP 65 HA ASP 65 -6.860 -0.812 -2.951 494 HB2 ASP 65 1HB ASP 65 -8.990 -2.204 -2.483 495 HB3 ASP 65 2HB ASP 65 -8.690 -1.823 -0.790 496 H GLU 66 H GLU 66 -5.056 0.152 -2.111 497 HA GLU 66 HA GLU 66 -4.112 -0.146 0.517 498 HB2 GLU 66 1HB GLU 66 -2.687 1.729 0.069 499 HB3 GLU 66 2HB GLU 66 -2.805 0.775 -1.403 500 HG2 GLU 66 1HG GLU 66 -3.065 2.855 -2.271 501 HG3 GLU 66 2HG GLU 66 -4.751 2.462 -1.940 502 H ASP 67 H ASP 67 -6.475 2.023 -0.895 503 HA ASP 67 HA ASP 67 -6.771 3.465 1.629 504 HB2 ASP 67 1HB ASP 67 -8.477 4.793 0.255 505 HB3 ASP 67 2HB ASP 67 -6.785 4.941 -0.210 506 H GLY 68 H GLY 68 -7.999 0.731 0.165 507 HA2 GLY 68 1HA GLY 68 -9.859 -0.573 0.516 508 HA3 GLY 68 2HA GLY 68 -9.822 0.100 2.138 509 H SER 69 H SER 69 -10.426 1.794 -0.909 510 HA SER 69 HA SER 69 -12.753 3.057 0.188 511 HG SER 69 HG SER 69 -11.309 3.631 -3.577 512 HB2 SER 69 1HB SER 69 -12.939 4.091 -2.078 513 HB3 SER 69 2HB SER 69 -11.351 4.307 -1.343 514 H GLY 70 H GLY 70 -12.257 0.050 -1.107 515 HA2 GLY 70 1HA GLY 70 -14.058 -1.522 -1.228 516 HA3 GLY 70 2HA GLY 70 -15.122 -0.211 -1.717 517 H THR 71 H THR 71 -12.490 0.409 -3.450 518 HA THR 71 HA THR 71 -12.963 -1.558 -5.559 519 HB THR 71 HB THR 71 -13.147 0.240 -7.274 520 HG1 THR 71 HG1 THR 71 -12.336 1.840 -5.523 521 HG21 THR 71 3HG2 THR 71 -15.404 0.211 -7.148 522 HG22 THR 71 1HG2 THR 71 -15.425 0.825 -5.496 523 HG23 THR 71 2HG2 THR 71 -15.116 -0.885 -5.797 524 H VAL 72 H VAL 72 -11.445 -0.956 -7.506 525 HA VAL 72 HA VAL 72 -8.784 -0.552 -6.344 526 HB VAL 72 HB VAL 72 -9.553 -2.572 -7.883 527 HG11 VAL 72 1HG1 VAL 72 -9.119 -2.282 -10.192 528 HG12 VAL 72 2HG1 VAL 72 -10.177 -0.951 -9.720 529 HG13 VAL 72 3HG1 VAL 72 -8.449 -0.671 -9.938 530 HG21 VAL 72 3HG2 VAL 72 -7.281 -3.034 -8.298 531 HG22 VAL 72 1HG2 VAL 72 -6.864 -1.322 -8.372 532 HG23 VAL 72 2HG2 VAL 72 -7.296 -2.058 -6.829 533 H ASP 73 H ASP 73 -7.438 1.056 -6.966 534 HA ASP 73 HA ASP 73 -8.574 3.119 -8.708 535 HB2 ASP 73 1HB ASP 73 -6.410 3.137 -6.615 536 HB3 ASP 73 2HB ASP 73 -6.581 4.460 -7.764 537 H PHE 74 H PHE 74 -6.530 4.445 -9.714 538 HA PHE 74 HA PHE 74 -5.635 2.826 -11.847 539 HD1 PHE 74 HD2 PHE 74 -3.909 2.994 -13.302 540 HD2 PHE 74 HD1 PHE 74 -5.982 6.708 -13.467 541 HE1 PHE 74 HE2 PHE 74 -3.778 2.954 -15.758 542 HE2 PHE 74 HE1 PHE 74 -5.855 6.673 -15.924 543 HZ PHE 74 HZ PHE 74 -4.751 4.795 -17.073 544 HB2 PHE 74 1HB PHE 74 -5.857 5.515 -11.441 545 HB3 PHE 74 2HB PHE 74 -4.113 5.298 -11.343 546 H ASP 75 H ASP 75 -3.981 4.126 -8.993 547 HA ASP 75 HA ASP 75 -1.423 3.111 -9.625 548 HB2 ASP 75 1HB ASP 75 -2.696 3.946 -7.021 549 HB3 ASP 75 2HB ASP 75 -1.026 3.396 -7.123 550 H GLU 76 H GLU 76 -4.060 1.830 -7.626 551 HA GLU 76 HA GLU 76 -2.672 -0.510 -6.821 552 HB2 GLU 76 1HB GLU 76 -5.657 -0.056 -6.977 553 HB3 GLU 76 2HB GLU 76 -4.842 -1.308 -6.049 554 HG2 GLU 76 1HG GLU 76 -4.185 0.128 -4.416 555 HG3 GLU 76 2HG GLU 76 -4.091 1.507 -5.510 556 H TRP 77 H TRP 77 -4.827 0.241 -9.504 557 HA TRP 77 HA TRP 77 -5.132 -2.418 -10.433 558 HD1 TRP 77 HD1 TRP 77 -8.060 -2.392 -12.286 559 HE1 TRP 77 HE1 TRP 77 -7.979 -3.469 -14.622 560 HE3 TRP 77 HE3 TRP 77 -3.550 -0.573 -13.863 561 HZ2 TRP 77 HZ2 TRP 77 -6.234 -3.539 -16.840 562 HZ3 TRP 77 HZ3 TRP 77 -2.747 -1.193 -16.105 563 HH2 TRP 77 HH2 TRP 77 -4.063 -2.646 -17.561 564 HB2 TRP 77 1HB TRP 77 -6.656 -0.582 -11.069 565 HB3 TRP 77 2HB TRP 77 -5.351 0.176 -11.978 566 H LEU 78 H LEU 78 -2.735 0.075 -10.992 567 HA LEU 78 HA LEU 78 -1.475 -1.240 -13.197 568 HG LEU 78 HG LEU 78 -0.769 0.304 -14.470 569 HB2 LEU 78 1HB LEU 78 -1.199 1.226 -11.764 570 HB3 LEU 78 2HB LEU 78 0.379 0.459 -11.932 571 HD11 LEU 78 1HD1 LEU 78 -1.458 2.866 -13.082 572 HD12 LEU 78 2HD1 LEU 78 -2.456 1.865 -14.136 573 HD13 LEU 78 3HD1 LEU 78 -1.145 2.827 -14.817 574 HD21 LEU 78 3HD2 LEU 78 1.507 0.649 -14.359 575 HD22 LEU 78 1HD2 LEU 78 1.363 1.938 -13.165 576 HD23 LEU 78 2HD2 LEU 78 0.931 2.243 -14.848 577 H VAL 79 H VAL 79 -0.665 -0.874 -9.752 578 HA VAL 79 HA VAL 79 1.667 -2.470 -9.841 579 HB VAL 79 HB VAL 79 1.501 -2.559 -7.396 580 HG11 VAL 79 1HG1 VAL 79 2.461 -0.581 -8.431 581 HG12 VAL 79 2HG1 VAL 79 0.861 0.153 -8.552 582 HG13 VAL 79 3HG1 VAL 79 1.579 -0.144 -6.968 583 HG21 VAL 79 3HG2 VAL 79 -1.228 -1.387 -7.883 584 HG22 VAL 79 1HG2 VAL 79 -0.817 -2.868 -7.018 585 HG23 VAL 79 2HG2 VAL 79 -0.409 -1.299 -6.323 586 H MET 80 H MET 80 -1.719 -3.217 -9.506 587 HA MET 80 HA MET 80 -1.632 -5.734 -8.354 588 HB2 MET 80 1HB MET 80 -3.747 -4.688 -8.728 589 HB3 MET 80 2HB MET 80 -3.470 -4.602 -10.462 590 HG2 MET 80 1HG MET 80 -3.774 -6.918 -10.731 591 HG3 MET 80 2HG MET 80 -3.655 -7.212 -8.998 592 HE1 MET 80 3HE MET 80 -6.096 -4.032 -9.765 593 HE2 MET 80 1HE MET 80 -5.315 -4.691 -11.203 594 HE3 MET 80 2HE MET 80 -7.053 -4.892 -10.973 595 H MET 81 H MET 81 -1.082 -4.787 -11.710 596 HA MET 81 HA MET 81 -0.935 -7.409 -12.765 597 HB2 MET 81 1HB MET 81 -1.021 -4.939 -13.865 598 HB3 MET 81 2HB MET 81 0.689 -5.302 -14.057 599 HG2 MET 81 1HG MET 81 -0.146 -6.105 -16.022 600 HG3 MET 81 2HG MET 81 -0.196 -7.556 -15.025 601 HE1 MET 81 3HE MET 81 -2.789 -4.499 -14.700 602 HE2 MET 81 1HE MET 81 -2.145 -4.512 -16.342 603 HE3 MET 81 2HE MET 81 -3.835 -4.926 -16.055 604 H ALA 82 H ALA 82 1.481 -5.201 -11.441 605 HA ALA 82 HA ALA 82 3.803 -6.552 -12.132 606 HB1 ALA 82 1HB ALA 82 3.258 -4.318 -10.708 607 HB2 ALA 82 2HB ALA 82 3.791 -5.406 -9.425 608 HB3 ALA 82 3HB ALA 82 4.848 -5.075 -10.797 609 H ARG 83 H ARG 83 1.390 -7.353 -9.772 610 HA ARG 83 HA ARG 83 2.898 -9.058 -8.120 611 HE ARG 83 HE ARG 83 -1.642 -9.648 -6.062 612 HB2 ARG 83 1HB ARG 83 -0.036 -9.320 -8.793 613 HB3 ARG 83 2HB ARG 83 0.780 -9.941 -7.364 614 HG2 ARG 83 1HG ARG 83 1.121 -7.756 -6.504 615 HG3 ARG 83 2HG ARG 83 0.610 -7.013 -8.021 616 HD2 ARG 83 1HD ARG 83 -1.189 -6.831 -6.451 617 HD3 ARG 83 2HD ARG 83 -1.642 -8.015 -7.677 618 HH11 ARG 83 1HH1 ARG 83 -0.120 -6.776 -4.816 619 HH12 ARG 83 2HH1 ARG 83 -0.058 -7.358 -3.185 620 HH21 ARG 83 1HH2 ARG 83 -1.567 -10.426 -3.920 621 HH22 ARG 83 2HH2 ARG 83 -0.881 -9.435 -2.677 622 H CYS 84 H CYS 84 1.607 -9.465 -11.298 623 HA CYS 84 HA CYS 84 1.605 -12.322 -11.312 624 HG CYS 84 HG CYS 84 1.408 -13.748 -13.417 625 HB2 CYS 84 1HB CYS 84 0.278 -10.809 -12.862 626 HB3 CYS 84 2HB CYS 84 1.784 -10.513 -13.722 627 H MET 85 H MET 85 4.045 -9.975 -11.479 628 HA MET 85 HA MET 85 5.891 -11.447 -13.109 629 HB2 MET 85 1HB MET 85 6.258 -9.088 -11.258 630 HB3 MET 85 2HB MET 85 7.549 -9.769 -12.240 631 HG2 MET 85 1HG MET 85 5.698 -9.378 -14.139 632 HG3 MET 85 2HG MET 85 5.253 -8.095 -13.016 633 HE1 MET 85 3HE MET 85 7.298 -9.463 -15.597 634 HE2 MET 85 1HE MET 85 7.037 -7.878 -16.325 635 HE3 MET 85 2HE MET 85 8.666 -8.386 -15.879 636 H LYS 86 H LYS 86 5.607 -10.795 -9.622 637 HA LYS 86 HA LYS 86 7.795 -12.494 -8.926 638 HB2 LYS 86 1HB LYS 86 7.136 -12.099 -6.630 639 HB3 LYS 86 2HB LYS 86 7.062 -10.588 -7.527 640 HG2 LYS 86 1HG LYS 86 5.099 -10.454 -6.392 641 HG3 LYS 86 2HG LYS 86 4.540 -11.301 -7.836 642 HD2 LYS 86 1HD LYS 86 3.787 -12.928 -6.520 643 HD3 LYS 86 2HD LYS 86 5.458 -13.288 -6.080 644 HE2 LYS 86 1HE LYS 86 5.243 -11.478 -4.326 645 HE3 LYS 86 2HE LYS 86 3.514 -11.476 -4.667 646 HZ1 LYS 86 3HZ LYS 86 5.074 -13.837 -3.767 647 HZ2 LYS 86 1HZ LYS 86 3.406 -13.793 -4.045 648 HZ3 LYS 86 2HZ LYS 86 4.076 -12.893 -2.780 649 H ASP 87 H ASP 87 4.704 -13.156 -9.971 650 HA ASP 87 HA ASP 87 4.128 -15.430 -8.324 651 HB2 ASP 87 1HB ASP 87 2.396 -14.064 -9.532 652 HB3 ASP 87 2HB ASP 87 2.972 -14.773 -11.038 653 H ASP 88 H ASP 88 5.086 -15.086 -11.743 654 HA ASP 88 HA ASP 88 5.910 -17.895 -11.755 655 HB2 ASP 88 1HB ASP 88 4.438 -17.049 -13.580 656 HB3 ASP 88 2HB ASP 88 5.731 -15.958 -14.071 657 H SER 89 H SER 89 7.702 -17.106 -10.267 658 HA SER 89 HA SER 89 9.918 -16.735 -9.911 659 HG SER 89 HG SER 89 12.146 -16.796 -11.201 660 HB2 SER 89 1HB SER 89 9.918 -18.379 -11.958 661 HB3 SER 89 2HB SER 89 10.474 -16.963 -12.848 Start of MODEL 21 1 HA MET 1 HA MET 1 2.542 -0.401 -1.302 2 H1 MET 1 H MET 1 1.723 -1.840 1.095 3 HB2 MET 1 1HB MET 1 2.625 0.646 0.985 4 HB3 MET 1 2HB MET 1 3.913 -0.481 1.387 5 HG2 MET 1 1HG MET 1 5.111 1.368 0.782 6 HG3 MET 1 2HG MET 1 5.048 0.489 -0.744 7 HE1 MET 1 3HE MET 1 4.385 4.712 -0.527 8 HE2 MET 1 1HE MET 1 4.250 3.879 1.022 9 HE3 MET 1 2HE MET 1 5.642 3.583 -0.020 10 H ASP 2 H ASP 2 2.842 -2.576 -2.360 11 HA ASP 2 HA ASP 2 5.199 -4.058 -1.560 12 HB2 ASP 2 1HB ASP 2 3.691 -4.478 -4.128 13 HB3 ASP 2 2HB ASP 2 4.586 -5.654 -3.169 14 H ASP 3 H ASP 3 6.833 -2.491 -1.811 15 HA ASP 3 HA ASP 3 7.292 -1.016 -4.161 16 HB2 ASP 3 1HB ASP 3 8.327 -0.795 -1.766 17 HB3 ASP 3 2HB ASP 3 9.549 -1.897 -2.395 18 H ILE 4 H ILE 4 7.943 -4.306 -3.334 19 HA ILE 4 HA ILE 4 10.043 -4.864 -5.112 20 HB ILE 4 HB ILE 4 9.450 -6.451 -3.391 21 HG12 ILE 4 1HG1 ILE 4 8.668 -8.089 -5.711 22 HG13 ILE 4 2HG1 ILE 4 10.101 -7.099 -5.966 23 HG21 ILE 4 1HG2 ILE 4 7.046 -6.022 -3.325 24 HG22 ILE 4 2HG2 ILE 4 6.856 -6.828 -4.882 25 HG23 ILE 4 3HG2 ILE 4 7.382 -7.747 -3.472 26 HD11 ILE 4 3HD1 ILE 4 11.345 -8.477 -4.764 27 HD12 ILE 4 1HD1 ILE 4 10.209 -8.432 -3.417 28 HD13 ILE 4 2HD1 ILE 4 9.970 -9.580 -4.734 29 H TYR 5 H TYR 5 6.564 -4.709 -5.571 30 HA TYR 5 HA TYR 5 6.722 -5.719 -8.279 31 HD1 TYR 5 HD1 TYR 5 5.853 -7.613 -8.352 32 HD2 TYR 5 HD2 TYR 5 3.324 -6.109 -5.279 33 HE1 TYR 5 HE1 TYR 5 5.515 -9.902 -7.518 34 HE2 TYR 5 HE2 TYR 5 2.980 -8.393 -4.436 35 HH TYR 5 HH TYR 5 4.416 -10.644 -4.579 36 HB2 TYR 5 1HB TYR 5 4.427 -4.609 -6.655 37 HB3 TYR 5 2HB TYR 5 4.264 -5.190 -8.309 38 H LYS 6 H LYS 6 6.188 -2.628 -6.654 39 HA LYS 6 HA LYS 6 5.651 -1.115 -8.978 40 HB2 LYS 6 1HB LYS 6 6.722 -0.304 -6.272 41 HB3 LYS 6 2HB LYS 6 6.278 0.844 -7.528 42 HG2 LYS 6 1HG LYS 6 4.128 0.716 -6.999 43 HG3 LYS 6 2HG LYS 6 4.153 -1.049 -7.034 44 HD2 LYS 6 1HD LYS 6 5.416 -0.722 -4.735 45 HD3 LYS 6 2HD LYS 6 4.556 0.820 -4.751 46 HE2 LYS 6 1HE LYS 6 3.350 -1.938 -4.924 47 HE3 LYS 6 2HE LYS 6 3.240 -0.817 -3.569 48 HZ1 LYS 6 3HZ LYS 6 2.075 0.732 -5.111 49 HZ2 LYS 6 1HZ LYS 6 1.221 -0.690 -4.778 50 HZ3 LYS 6 2HZ LYS 6 2.024 -0.512 -6.256 51 H ALA 7 H ALA 7 8.619 -2.060 -7.373 52 HA ALA 7 HA ALA 7 10.349 -0.288 -8.753 53 HB1 ALA 7 1HB ALA 7 11.308 -1.140 -6.840 54 HB2 ALA 7 2HB ALA 7 10.731 -2.778 -7.151 55 HB3 ALA 7 3HB ALA 7 12.076 -2.125 -8.086 56 H ALA 8 H ALA 8 9.236 -3.579 -9.391 57 HA ALA 8 HA ALA 8 10.899 -3.873 -11.727 58 HB1 ALA 8 1HB ALA 8 8.595 -5.596 -10.824 59 HB2 ALA 8 2HB ALA 8 9.846 -6.023 -11.993 60 HB3 ALA 8 3HB ALA 8 10.267 -5.792 -10.296 61 H VAL 9 H VAL 9 7.537 -3.092 -11.034 62 HA VAL 9 HA VAL 9 6.644 -3.205 -13.737 63 HB VAL 9 HB VAL 9 5.276 -3.208 -11.492 64 HG11 VAL 9 1HG1 VAL 9 5.099 -0.292 -12.221 65 HG12 VAL 9 2HG1 VAL 9 4.352 -1.115 -10.850 66 HG13 VAL 9 3HG1 VAL 9 6.102 -0.905 -10.906 67 HG21 VAL 9 3HG2 VAL 9 4.324 -3.567 -13.702 68 HG22 VAL 9 1HG2 VAL 9 3.282 -2.514 -12.745 69 HG23 VAL 9 2HG2 VAL 9 4.316 -1.829 -13.999 70 H GLU 10 H GLU 10 8.121 -0.749 -11.746 71 HA GLU 10 HA GLU 10 7.466 1.463 -13.423 72 HB2 GLU 10 1HB GLU 10 9.311 1.003 -11.122 73 HB3 GLU 10 2HB GLU 10 9.556 2.430 -12.120 74 HG2 GLU 10 1HG GLU 10 6.789 2.224 -11.492 75 HG3 GLU 10 2HG GLU 10 7.724 2.055 -10.008 76 H GLN 11 H GLN 11 10.026 -0.899 -13.350 77 HA GLN 11 HA GLN 11 11.637 0.557 -15.278 78 HB2 GLN 11 1HB GLN 11 13.171 -1.377 -15.100 79 HB3 GLN 11 2HB GLN 11 12.809 -0.653 -13.539 80 HG2 GLN 11 1HG GLN 11 11.240 -2.426 -13.044 81 HG3 GLN 11 2HG GLN 11 11.503 -3.131 -14.638 82 HE21 GLN 11 2HE2 GLN 11 13.126 -2.293 -11.621 83 HE22 GLN 11 1HE2 GLN 11 14.309 -3.550 -11.698 84 H LEU 12 H LEU 12 8.865 -0.900 -15.652 85 HA LEU 12 HA LEU 12 9.328 -2.867 -17.646 86 HG LEU 12 HG LEU 12 7.548 -3.292 -15.433 87 HB2 LEU 12 1HB LEU 12 6.941 -1.290 -16.766 88 HB3 LEU 12 2HB LEU 12 6.861 -2.309 -18.201 89 HD11 LEU 12 1HD1 LEU 12 5.331 -4.179 -15.318 90 HD12 LEU 12 2HD1 LEU 12 4.971 -3.631 -16.955 91 HD13 LEU 12 3HD1 LEU 12 5.215 -2.453 -15.665 92 HD21 LEU 12 3HD2 LEU 12 6.964 -4.746 -18.010 93 HD22 LEU 12 1HD2 LEU 12 7.167 -5.508 -16.433 94 HD23 LEU 12 2HD2 LEU 12 8.519 -4.658 -17.182 95 H THR 13 H THR 13 8.052 -2.470 -19.852 96 HA THR 13 HA THR 13 9.484 -0.286 -21.141 97 HB THR 13 HB THR 13 9.724 -2.291 -22.345 98 HG1 THR 13 HG1 THR 13 9.080 -0.468 -23.656 99 HG21 THR 13 3HG2 THR 13 6.791 -2.660 -21.832 100 HG22 THR 13 1HG2 THR 13 8.126 -3.752 -21.468 101 HG23 THR 13 2HG2 THR 13 7.600 -3.527 -23.137 102 H GLU 14 H GLU 14 8.423 1.132 -22.667 103 HA GLU 14 HA GLU 14 6.230 2.475 -21.643 104 HB2 GLU 14 1HB GLU 14 7.045 2.395 -24.552 105 HB3 GLU 14 2HB GLU 14 6.128 3.664 -23.753 106 HG2 GLU 14 1HG GLU 14 7.974 4.690 -23.091 107 HG3 GLU 14 2HG GLU 14 8.632 3.205 -22.407 108 H GLU 15 H GLU 15 6.348 -0.089 -24.067 109 HA GLU 15 HA GLU 15 3.632 0.011 -24.818 110 HB2 GLU 15 1HB GLU 15 3.988 -2.156 -25.815 111 HB3 GLU 15 2HB GLU 15 5.407 -1.159 -26.102 112 HG2 GLU 15 1HG GLU 15 6.636 -2.301 -24.399 113 HG3 GLU 15 2HG GLU 15 5.201 -3.192 -23.896 114 H GLN 16 H GLN 16 5.300 -1.519 -22.156 115 HA GLN 16 HA GLN 16 3.168 -3.235 -21.374 116 HB2 GLN 16 1HB GLN 16 5.737 -2.330 -20.170 117 HB3 GLN 16 2HB GLN 16 4.527 -3.019 -19.096 118 HG2 GLN 16 1HG GLN 16 5.588 -4.380 -21.560 119 HG3 GLN 16 2HG GLN 16 6.187 -4.654 -19.925 120 HE21 GLN 16 2HE2 GLN 16 5.045 -6.592 -21.685 121 HE22 GLN 16 1HE2 GLN 16 3.624 -7.206 -20.919 122 H LYS 17 H LYS 17 4.433 -0.273 -19.833 123 HA LYS 17 HA LYS 17 2.371 0.061 -17.997 124 HB2 LYS 17 1HB LYS 17 4.668 1.478 -18.771 125 HB3 LYS 17 2HB LYS 17 3.337 2.615 -18.940 126 HG2 LYS 17 1HG LYS 17 4.164 2.893 -16.756 127 HG3 LYS 17 2HG LYS 17 2.660 1.983 -16.593 128 HD2 LYS 17 1HD LYS 17 3.987 -0.105 -16.475 129 HD3 LYS 17 2HD LYS 17 5.462 0.864 -16.525 130 HE2 LYS 17 1HE LYS 17 3.328 1.240 -14.437 131 HE3 LYS 17 2HE LYS 17 4.676 0.122 -14.233 132 HZ1 LYS 17 3HZ LYS 17 4.744 3.067 -14.436 133 HZ2 LYS 17 1HZ LYS 17 6.124 2.138 -14.749 134 HZ3 LYS 17 2HZ LYS 17 5.388 2.075 -13.227 135 H ASN 18 H ASN 18 2.567 0.962 -21.375 136 HA ASN 18 HA ASN 18 0.321 2.686 -21.421 137 HB2 ASN 18 1HB ASN 18 1.762 2.901 -23.259 138 HB3 ASN 18 2HB ASN 18 1.827 1.162 -23.530 139 HD21 ASN 18 2HD2 ASN 18 0.802 0.547 -25.275 140 HD22 ASN 18 1HD2 ASN 18 -0.619 1.273 -25.939 141 H GLU 19 H GLU 19 0.714 -0.787 -21.804 142 HA GLU 19 HA GLU 19 -1.909 -1.324 -22.730 143 HB2 GLU 19 1HB GLU 19 0.312 -2.949 -21.573 144 HB3 GLU 19 2HB GLU 19 -1.293 -3.663 -21.652 145 HG2 GLU 19 1HG GLU 19 -1.322 -3.124 -24.091 146 HG3 GLU 19 2HG GLU 19 0.368 -2.645 -23.941 147 H PHE 20 H PHE 20 -0.441 -1.340 -19.505 148 HA PHE 20 HA PHE 20 -2.749 -2.233 -18.133 149 HD1 PHE 20 HD1 PHE 20 -1.880 -4.000 -16.577 150 HD2 PHE 20 HD2 PHE 20 1.566 -1.714 -17.583 151 HE1 PHE 20 HE1 PHE 20 -0.533 -6.058 -16.624 152 HE2 PHE 20 HE2 PHE 20 2.919 -3.769 -17.633 153 HZ PHE 20 HZ PHE 20 1.870 -5.945 -17.153 154 HB2 PHE 20 1HB PHE 20 -0.398 -0.623 -17.114 155 HB3 PHE 20 2HB PHE 20 -1.592 -1.428 -16.102 156 H LYS 21 H LYS 21 -1.497 0.972 -18.914 157 HA LYS 21 HA LYS 21 -3.501 2.378 -17.435 158 HB2 LYS 21 1HB LYS 21 -1.188 3.234 -18.113 159 HB3 LYS 21 2HB LYS 21 -1.874 3.499 -19.711 160 HG2 LYS 21 1HG LYS 21 -3.499 5.040 -18.791 161 HG3 LYS 21 2HG LYS 21 -2.899 4.730 -17.160 162 HD2 LYS 21 1HD LYS 21 -1.057 5.718 -19.307 163 HD3 LYS 21 2HD LYS 21 -2.087 6.842 -18.417 164 HE2 LYS 21 1HE LYS 21 -1.095 6.189 -16.332 165 HE3 LYS 21 2HE LYS 21 -0.192 4.892 -17.114 166 HZ1 LYS 21 3HZ LYS 21 0.479 7.645 -16.849 167 HZ2 LYS 21 1HZ LYS 21 0.507 7.170 -18.472 168 HZ3 LYS 21 2HZ LYS 21 1.450 6.347 -17.335 169 H ALA 22 H ALA 22 -3.066 1.466 -20.821 170 HA ALA 22 HA ALA 22 -5.357 2.851 -21.782 171 HB1 ALA 22 1HB ALA 22 -3.393 2.095 -23.161 172 HB2 ALA 22 2HB ALA 22 -4.055 0.462 -23.069 173 HB3 ALA 22 3HB ALA 22 -4.980 1.746 -23.847 174 H ALA 23 H ALA 23 -4.762 -0.606 -21.135 175 HA ALA 23 HA ALA 23 -7.340 -1.520 -21.683 176 HB1 ALA 23 1HB ALA 23 -6.724 -3.448 -20.194 177 HB2 ALA 23 2HB ALA 23 -5.578 -3.101 -21.489 178 HB3 ALA 23 3HB ALA 23 -5.220 -2.598 -19.838 179 H PHE 24 H PHE 24 -5.940 -0.267 -18.690 180 HA PHE 24 HA PHE 24 -8.064 -0.865 -16.969 181 HD1 PHE 24 HD2 PHE 24 -7.693 -0.726 -14.315 182 HD2 PHE 24 HD1 PHE 24 -6.996 3.208 -15.782 183 HE1 PHE 24 HE2 PHE 24 -8.771 0.208 -12.311 184 HE2 PHE 24 HE1 PHE 24 -8.073 4.149 -13.780 185 HZ PHE 24 HZ PHE 24 -8.963 2.649 -12.041 186 HB2 PHE 24 1HB PHE 24 -5.928 -0.163 -16.085 187 HB3 PHE 24 2HB PHE 24 -6.061 1.397 -16.889 188 H ASP 25 H ASP 25 -7.657 1.655 -19.329 189 HA ASP 25 HA ASP 25 -9.624 3.447 -18.397 190 HB2 ASP 25 1HB ASP 25 -7.862 3.910 -20.153 191 HB3 ASP 25 2HB ASP 25 -8.862 3.003 -21.285 192 H ILE 26 H ILE 26 -9.781 0.654 -20.549 193 HA ILE 26 HA ILE 26 -12.472 0.999 -21.345 194 HB ILE 26 HB ILE 26 -10.792 -1.507 -21.222 195 HG12 ILE 26 1HG1 ILE 26 -11.265 -0.788 -23.869 196 HG13 ILE 26 2HG1 ILE 26 -10.961 0.745 -23.058 197 HG21 ILE 26 1HG2 ILE 26 -12.470 -2.401 -22.847 198 HG22 ILE 26 2HG2 ILE 26 -13.080 -2.179 -21.208 199 HG23 ILE 26 3HG2 ILE 26 -13.489 -1.013 -22.467 200 HD11 ILE 26 3HD1 ILE 26 -8.858 -0.219 -22.162 201 HD12 ILE 26 1HD1 ILE 26 -9.153 -1.655 -23.142 202 HD13 ILE 26 2HD1 ILE 26 -8.901 -0.092 -23.920 203 H PHE 27 H PHE 27 -10.963 -0.683 -18.642 204 HA PHE 27 HA PHE 27 -13.240 -2.059 -17.728 205 HD1 PHE 27 HD1 PHE 27 -12.719 -4.118 -15.622 206 HD2 PHE 27 HD2 PHE 27 -9.482 -2.697 -17.992 207 HE1 PHE 27 HE1 PHE 27 -12.083 -6.438 -16.137 208 HE2 PHE 27 HE2 PHE 27 -8.841 -5.014 -18.512 209 HZ PHE 27 HZ PHE 27 -10.143 -6.889 -17.585 210 HB2 PHE 27 1HB PHE 27 -10.643 -1.227 -16.506 211 HB3 PHE 27 2HB PHE 27 -11.923 -1.814 -15.449 212 H VAL 28 H VAL 28 -11.832 1.026 -16.631 213 HA VAL 28 HA VAL 28 -14.174 1.599 -15.024 214 HB VAL 28 HB VAL 28 -13.025 3.569 -14.286 215 HG11 VAL 28 1HG1 VAL 28 -12.075 1.010 -13.922 216 HG12 VAL 28 2HG1 VAL 28 -10.626 1.924 -14.342 217 HG13 VAL 28 3HG1 VAL 28 -11.623 2.428 -12.977 218 HG21 VAL 28 3HG2 VAL 28 -11.729 3.369 -16.842 219 HG22 VAL 28 1HG2 VAL 28 -11.787 4.729 -15.721 220 HG23 VAL 28 2HG2 VAL 28 -10.527 3.505 -15.558 221 H LEU 29 H LEU 29 -13.720 1.691 -18.202 222 HA LEU 29 HA LEU 29 -14.425 4.289 -19.006 223 HG LEU 29 HG LEU 29 -16.401 1.527 -20.240 224 HB2 LEU 29 1HB LEU 29 -14.268 3.436 -21.054 225 HB3 LEU 29 2HB LEU 29 -13.789 1.935 -20.264 226 HD11 LEU 29 1HD1 LEU 29 -16.355 2.846 -22.868 227 HD12 LEU 29 2HD1 LEU 29 -16.432 3.924 -21.475 228 HD13 LEU 29 3HD1 LEU 29 -17.664 2.683 -21.698 229 HD21 LEU 29 3HD2 LEU 29 -15.909 0.748 -22.790 230 HD22 LEU 29 1HD2 LEU 29 -15.383 -0.135 -21.357 231 HD23 LEU 29 2HD2 LEU 29 -14.269 0.959 -22.177 232 H GLY 30 H GLY 30 -16.263 1.802 -17.533 233 HA2 GLY 30 1HA GLY 30 -18.796 3.037 -18.368 234 HA3 GLY 30 2HA GLY 30 -18.626 1.455 -17.622 235 H ALA 31 H ALA 31 -16.674 2.770 -15.670 236 HA ALA 31 HA ALA 31 -18.615 3.296 -13.638 237 HB1 ALA 31 1HB ALA 31 -16.827 2.352 -12.631 238 HB2 ALA 31 2HB ALA 31 -15.678 3.042 -13.779 239 HB3 ALA 31 3HB ALA 31 -16.316 4.032 -12.466 240 H GLU 32 H GLU 32 -18.347 5.267 -12.191 241 HA GLU 32 HA GLU 32 -18.228 7.655 -13.904 242 HB2 GLU 32 1HB GLU 32 -20.365 6.947 -12.599 243 HB3 GLU 32 2HB GLU 32 -19.522 7.590 -11.197 244 HG2 GLU 32 1HG GLU 32 -19.242 9.729 -12.522 245 HG3 GLU 32 2HG GLU 32 -20.398 9.051 -13.667 246 H ASP 33 H ASP 33 -16.919 6.146 -11.073 247 HA ASP 33 HA ASP 33 -15.417 8.580 -10.405 248 HB2 ASP 33 1HB ASP 33 -16.190 6.138 -8.851 249 HB3 ASP 33 2HB ASP 33 -14.779 7.070 -8.357 250 H GLY 34 H GLY 34 -14.947 6.491 -12.602 251 HA2 GLY 34 1HA GLY 34 -13.161 5.417 -13.571 252 HA3 GLY 34 2HA GLY 34 -12.194 6.636 -12.755 253 H CYS 35 H CYS 35 -14.105 3.868 -11.580 254 HA CYS 35 HA CYS 35 -11.667 2.601 -10.609 255 HG CYS 35 HG CYS 35 -14.894 3.393 -7.366 256 HB2 CYS 35 1HB CYS 35 -12.766 2.265 -8.345 257 HB3 CYS 35 2HB CYS 35 -12.196 3.893 -8.690 258 H ILE 36 H ILE 36 -12.293 0.447 -9.483 259 HA ILE 36 HA ILE 36 -14.604 -0.758 -10.845 260 HB ILE 36 HB ILE 36 -11.857 -1.997 -10.636 261 HG12 ILE 36 1HG1 ILE 36 -13.088 -1.709 -13.277 262 HG13 ILE 36 2HG1 ILE 36 -12.773 -0.168 -12.487 263 HG21 ILE 36 1HG2 ILE 36 -12.994 -3.729 -12.160 264 HG22 ILE 36 2HG2 ILE 36 -13.334 -3.784 -10.432 265 HG23 ILE 36 3HG2 ILE 36 -14.505 -3.068 -11.538 266 HD11 ILE 36 3HD1 ILE 36 -10.716 -0.336 -13.294 267 HD12 ILE 36 1HD1 ILE 36 -10.447 -1.590 -12.083 268 HD13 ILE 36 2HD1 ILE 36 -10.938 -2.033 -13.719 269 H SER 37 H SER 37 -15.947 -1.386 -9.293 270 HA SER 37 HA SER 37 -14.932 -2.185 -6.689 271 HG SER 37 HG SER 37 -18.330 -1.433 -8.359 272 HB2 SER 37 1HB SER 37 -17.201 -2.060 -5.931 273 HB3 SER 37 2HB SER 37 -16.932 -0.666 -6.977 274 H THR 38 H THR 38 -15.240 -4.194 -5.747 275 HA THR 38 HA THR 38 -14.919 -6.449 -7.293 276 HB THR 38 HB THR 38 -14.374 -6.651 -5.007 277 HG1 THR 38 HG1 THR 38 -15.799 -8.418 -6.131 278 HG21 THR 38 3HG2 THR 38 -16.888 -5.262 -4.616 279 HG22 THR 38 1HG2 THR 38 -15.495 -5.389 -3.542 280 HG23 THR 38 2HG2 THR 38 -16.733 -6.646 -3.534 281 H LYS 39 H LYS 39 -17.868 -4.836 -6.379 282 HA LYS 39 HA LYS 39 -19.690 -6.918 -6.898 283 HB2 LYS 39 1HB LYS 39 -20.360 -4.929 -5.677 284 HB3 LYS 39 2HB LYS 39 -20.038 -3.921 -7.082 285 HG2 LYS 39 1HG LYS 39 -21.828 -5.110 -8.300 286 HG3 LYS 39 2HG LYS 39 -22.185 -6.017 -6.827 287 HD2 LYS 39 1HD LYS 39 -23.099 -4.202 -5.769 288 HD3 LYS 39 2HD LYS 39 -22.115 -3.046 -6.669 289 HE2 LYS 39 1HE LYS 39 -24.379 -2.815 -7.398 290 HE3 LYS 39 2HE LYS 39 -23.467 -3.584 -8.695 291 HZ1 LYS 39 3HZ LYS 39 -25.066 -5.111 -8.675 292 HZ2 LYS 39 1HZ LYS 39 -25.692 -4.583 -7.195 293 HZ3 LYS 39 2HZ LYS 39 -24.400 -5.675 -7.226 294 H GLU 40 H GLU 40 -18.515 -4.276 -8.971 295 HA GLU 40 HA GLU 40 -19.937 -5.258 -11.268 296 HB2 GLU 40 1HB GLU 40 -17.695 -3.240 -11.256 297 HB3 GLU 40 2HB GLU 40 -18.963 -3.432 -12.458 298 HG2 GLU 40 1HG GLU 40 -19.452 -2.604 -9.609 299 HG3 GLU 40 2HG GLU 40 -19.255 -1.479 -10.952 300 H LEU 41 H LEU 41 -16.613 -5.349 -10.090 301 HA LEU 41 HA LEU 41 -15.305 -6.337 -12.312 302 HG LEU 41 HG LEU 41 -13.497 -8.589 -10.503 303 HB2 LEU 41 1HB LEU 41 -14.147 -5.667 -10.291 304 HB3 LEU 41 2HB LEU 41 -14.857 -7.017 -9.409 305 HD11 LEU 41 1HD1 LEU 41 -13.590 -8.087 -12.760 306 HD12 LEU 41 2HD1 LEU 41 -11.910 -7.733 -12.358 307 HD13 LEU 41 3HD1 LEU 41 -13.074 -6.418 -12.517 308 HD21 LEU 41 3HD2 LEU 41 -11.962 -6.080 -9.877 309 HD22 LEU 41 1HD2 LEU 41 -11.175 -7.609 -10.270 310 HD23 LEU 41 2HD2 LEU 41 -12.217 -7.492 -8.851 311 H GLY 42 H GLY 42 -17.111 -8.125 -9.838 312 HA2 GLY 42 1HA GLY 42 -16.538 -10.705 -10.860 313 HA3 GLY 42 2HA GLY 42 -17.858 -10.297 -9.774 314 H LYS 43 H LYS 43 -18.936 -8.309 -11.686 315 HA LYS 43 HA LYS 43 -20.680 -10.064 -13.096 316 HB2 LYS 43 1HB LYS 43 -20.463 -7.195 -12.594 317 HB3 LYS 43 2HB LYS 43 -21.051 -7.558 -14.211 318 HG2 LYS 43 1HG LYS 43 -22.683 -9.157 -12.994 319 HG3 LYS 43 2HG LYS 43 -22.280 -8.202 -11.566 320 HD2 LYS 43 1HD LYS 43 -22.866 -6.156 -12.950 321 HD3 LYS 43 2HD LYS 43 -23.552 -7.274 -14.131 322 HE2 LYS 43 1HE LYS 43 -25.067 -8.149 -12.431 323 HE3 LYS 43 2HE LYS 43 -24.363 -7.066 -11.231 324 HZ1 LYS 43 3HZ LYS 43 -25.793 -5.519 -11.862 325 HZ2 LYS 43 1HZ LYS 43 -26.440 -6.545 -13.041 326 HZ3 LYS 43 2HZ LYS 43 -25.145 -5.527 -13.425 327 H VAL 44 H VAL 44 -18.273 -7.682 -14.217 328 HA VAL 44 HA VAL 44 -18.439 -8.126 -16.932 329 HB VAL 44 HB VAL 44 -15.933 -7.544 -15.348 330 HG11 VAL 44 1HG1 VAL 44 -15.417 -6.376 -17.646 331 HG12 VAL 44 2HG1 VAL 44 -15.074 -8.090 -17.403 332 HG13 VAL 44 3HG1 VAL 44 -16.531 -7.594 -18.265 333 HG21 VAL 44 3HG2 VAL 44 -17.765 -5.937 -14.973 334 HG22 VAL 44 1HG2 VAL 44 -16.395 -5.211 -15.815 335 HG23 VAL 44 2HG2 VAL 44 -17.848 -5.652 -16.712 336 H MET 45 H MET 45 -16.930 -10.097 -14.478 337 HA MET 45 HA MET 45 -15.214 -11.668 -15.961 338 HB2 MET 45 1HB MET 45 -17.004 -12.485 -13.666 339 HB3 MET 45 2HB MET 45 -15.674 -13.456 -14.283 340 HG2 MET 45 1HG MET 45 -14.953 -10.706 -13.579 341 HG3 MET 45 2HG MET 45 -15.495 -11.699 -12.229 342 HE1 MET 45 3HE MET 45 -12.143 -13.180 -15.019 343 HE2 MET 45 1HE MET 45 -13.847 -13.580 -15.236 344 HE3 MET 45 2HE MET 45 -13.298 -11.918 -15.453 345 H ARG 46 H ARG 46 -18.714 -11.799 -15.759 346 HA ARG 46 HA ARG 46 -19.146 -14.299 -16.932 347 HE ARG 46 HE ARG 46 -21.323 -8.990 -17.257 348 HB2 ARG 46 1HB ARG 46 -21.384 -13.617 -17.270 349 HB3 ARG 46 2HB ARG 46 -20.850 -12.777 -15.820 350 HG2 ARG 46 1HG ARG 46 -20.250 -10.890 -17.574 351 HG3 ARG 46 2HG ARG 46 -21.510 -11.705 -18.503 352 HD2 ARG 46 1HD ARG 46 -23.158 -11.163 -17.004 353 HD3 ARG 46 2HD ARG 46 -22.038 -11.071 -15.645 354 HH11 ARG 46 1HH1 ARG 46 -24.279 -10.014 -15.730 355 HH12 ARG 46 2HH1 ARG 46 -24.902 -8.407 -15.560 356 HH21 ARG 46 1HH2 ARG 46 -22.132 -6.868 -17.039 357 HH22 ARG 46 2HH2 ARG 46 -23.680 -6.618 -16.306 358 H MET 47 H MET 47 -18.406 -11.181 -18.347 359 HA MET 47 HA MET 47 -19.060 -11.824 -21.023 360 HB2 MET 47 1HB MET 47 -17.036 -9.824 -19.998 361 HB3 MET 47 2HB MET 47 -17.716 -9.865 -21.619 362 HG2 MET 47 1HG MET 47 -19.493 -9.604 -19.232 363 HG3 MET 47 2HG MET 47 -18.659 -8.201 -19.894 364 HE1 MET 47 3HE MET 47 -18.589 -8.322 -22.829 365 HE2 MET 47 1HE MET 47 -20.166 -7.781 -23.406 366 HE3 MET 47 2HE MET 47 -19.383 -6.942 -22.067 367 H LEU 48 H LEU 48 -16.152 -12.233 -19.090 368 HA LEU 48 HA LEU 48 -14.472 -12.999 -21.262 369 HG LEU 48 HG LEU 48 -12.268 -12.075 -20.295 370 HB2 LEU 48 1HB LEU 48 -14.288 -13.068 -18.291 371 HB3 LEU 48 2HB LEU 48 -13.157 -14.041 -19.229 372 HD11 LEU 48 1HD1 LEU 48 -14.638 -10.776 -19.061 373 HD12 LEU 48 2HD1 LEU 48 -13.923 -10.549 -20.658 374 HD13 LEU 48 3HD1 LEU 48 -13.161 -9.827 -19.241 375 HD21 LEU 48 3HD2 LEU 48 -11.748 -10.744 -18.048 376 HD22 LEU 48 1HD2 LEU 48 -11.028 -12.313 -18.409 377 HD23 LEU 48 2HD2 LEU 48 -12.427 -12.210 -17.339 378 H GLY 49 H GLY 49 -16.849 -14.617 -19.385 379 HA2 GLY 49 1HA GLY 49 -17.699 -16.707 -20.342 380 HA3 GLY 49 2HA GLY 49 -16.027 -17.177 -20.610 381 H GLN 50 H GLN 50 -15.834 -15.725 -17.753 382 HA GLN 50 HA GLN 50 -16.345 -18.224 -16.284 383 HB2 GLN 50 1HB GLN 50 -14.146 -16.262 -16.231 384 HB3 GLN 50 2HB GLN 50 -14.693 -16.804 -14.650 385 HG2 GLN 50 1HG GLN 50 -14.494 -19.177 -15.779 386 HG3 GLN 50 2HG GLN 50 -13.359 -18.322 -16.822 387 HE21 GLN 50 2HE2 GLN 50 -11.536 -17.300 -15.844 388 HE22 GLN 50 1HE2 GLN 50 -10.907 -17.886 -14.346 389 H ASN 51 H ASN 51 -17.210 -18.109 -14.168 390 HA ASN 51 HA ASN 51 -18.375 -15.542 -13.371 391 HB2 ASN 51 1HB ASN 51 -20.513 -16.819 -12.800 392 HB3 ASN 51 2HB ASN 51 -20.213 -16.506 -14.507 393 HD21 ASN 51 2HD2 ASN 51 -19.779 -18.193 -15.877 394 HD22 ASN 51 1HD2 ASN 51 -19.963 -19.849 -15.419 395 HA PRO 52 HA PRO 52 -16.412 -17.965 -9.890 396 HB2 PRO 52 1HB PRO 52 -14.800 -15.947 -9.051 397 HB3 PRO 52 2HB PRO 52 -14.323 -17.101 -10.302 398 HG2 PRO 52 1HG PRO 52 -15.388 -14.319 -10.598 399 HG3 PRO 52 2HG PRO 52 -14.058 -15.106 -11.468 400 HD2 PRO 52 1HD PRO 52 -16.534 -14.832 -12.530 401 HD3 PRO 52 2HD PRO 52 -15.484 -16.216 -12.899 402 H THR 53 H THR 53 -16.040 -16.909 -7.553 403 HA THR 53 HA THR 53 -18.628 -15.781 -6.841 404 HB THR 53 HB THR 53 -17.636 -17.731 -5.592 405 HG1 THR 53 HG1 THR 53 -19.123 -16.881 -4.324 406 HG21 THR 53 3HG2 THR 53 -15.647 -17.615 -4.575 407 HG22 THR 53 1HG2 THR 53 -16.026 -16.054 -3.848 408 HG23 THR 53 2HG2 THR 53 -15.378 -16.129 -5.487 409 HA PRO 54 HA PRO 54 -17.157 -11.661 -6.330 410 HB2 PRO 54 1HB PRO 54 -19.024 -10.757 -4.579 411 HB3 PRO 54 2HB PRO 54 -19.368 -11.039 -6.290 412 HG2 PRO 54 1HG PRO 54 -19.952 -12.782 -3.927 413 HG3 PRO 54 2HG PRO 54 -20.982 -12.404 -5.321 414 HD2 PRO 54 1HD PRO 54 -19.598 -14.723 -5.118 415 HD3 PRO 54 2HD PRO 54 -19.925 -13.939 -6.677 416 H GLU 55 H GLU 55 -17.893 -13.575 -3.443 417 HA GLU 55 HA GLU 55 -16.686 -11.964 -1.521 418 HB2 GLU 55 1HB GLU 55 -16.936 -14.972 -1.646 419 HB3 GLU 55 2HB GLU 55 -16.404 -14.091 -0.221 420 HG2 GLU 55 1HG GLU 55 -18.642 -12.804 -0.509 421 HG3 GLU 55 2HG GLU 55 -19.106 -14.202 -1.477 422 H GLU 56 H GLU 56 -15.284 -14.293 -3.748 423 HA GLU 56 HA GLU 56 -12.705 -14.366 -2.571 424 HB2 GLU 56 1HB GLU 56 -13.563 -16.088 -4.136 425 HB3 GLU 56 2HB GLU 56 -13.484 -14.912 -5.440 426 HG2 GLU 56 1HG GLU 56 -11.535 -16.088 -5.734 427 HG3 GLU 56 2HG GLU 56 -10.990 -14.711 -4.777 428 H LEU 57 H LEU 57 -14.095 -12.480 -5.232 429 HA LEU 57 HA LEU 57 -11.800 -11.161 -6.076 430 HG LEU 57 HG LEU 57 -14.469 -12.249 -7.122 431 HB2 LEU 57 1HB LEU 57 -14.564 -9.971 -5.950 432 HB3 LEU 57 2HB LEU 57 -13.253 -9.503 -7.031 433 HD11 LEU 57 1HD1 LEU 57 -16.146 -10.306 -7.402 434 HD12 LEU 57 2HD1 LEU 57 -16.107 -11.580 -8.619 435 HD13 LEU 57 3HD1 LEU 57 -15.327 -10.032 -8.940 436 HD21 LEU 57 3HD2 LEU 57 -12.230 -11.393 -8.258 437 HD22 LEU 57 1HD2 LEU 57 -13.370 -10.797 -9.465 438 HD23 LEU 57 2HD2 LEU 57 -13.322 -12.515 -9.071 439 H GLN 58 H GLN 58 -14.235 -9.997 -3.742 440 HA GLN 58 HA GLN 58 -12.905 -7.657 -3.006 441 HB2 GLN 58 1HB GLN 58 -15.171 -7.867 -2.368 442 HB3 GLN 58 2HB GLN 58 -14.885 -9.402 -1.559 443 HG2 GLN 58 1HG GLN 58 -14.177 -8.427 0.342 444 HG3 GLN 58 2HG GLN 58 -13.389 -7.096 -0.505 445 HE21 GLN 58 2HE2 GLN 58 -14.455 -5.210 -0.784 446 HE22 GLN 58 1HE2 GLN 58 -16.042 -4.894 -0.178 447 H GLU 59 H GLU 59 -12.329 -10.952 -2.127 448 HA GLU 59 HA GLU 59 -10.970 -10.601 0.298 449 HB2 GLU 59 1HB GLU 59 -11.727 -12.766 -1.000 450 HB3 GLU 59 2HB GLU 59 -10.092 -12.699 -1.642 451 HG2 GLU 59 1HG GLU 59 -9.147 -12.883 0.536 452 HG3 GLU 59 2HG GLU 59 -10.726 -12.692 1.296 453 H MET 60 H MET 60 -9.643 -10.900 -2.999 454 HA MET 60 HA MET 60 -6.979 -10.315 -2.210 455 HB2 MET 60 1HB MET 60 -8.021 -11.415 -4.412 456 HB3 MET 60 2HB MET 60 -7.854 -9.766 -4.999 457 HG2 MET 60 1HG MET 60 -5.573 -9.822 -4.937 458 HG3 MET 60 2HG MET 60 -5.528 -11.025 -3.650 459 HE1 MET 60 3HE MET 60 -5.817 -10.433 -7.554 460 HE2 MET 60 1HE MET 60 -6.491 -11.983 -8.058 461 HE3 MET 60 2HE MET 60 -7.439 -10.899 -7.040 462 H ILE 61 H ILE 61 -9.620 -8.372 -3.523 463 HA ILE 61 HA ILE 61 -8.239 -6.011 -4.033 464 HB ILE 61 HB ILE 61 -11.085 -6.411 -3.114 465 HG12 ILE 61 1HG1 ILE 61 -9.876 -5.875 -5.837 466 HG13 ILE 61 2HG1 ILE 61 -10.537 -7.410 -5.285 467 HG21 ILE 61 1HG2 ILE 61 -9.733 -3.917 -4.133 468 HG22 ILE 61 2HG2 ILE 61 -11.477 -4.115 -3.964 469 HG23 ILE 61 3HG2 ILE 61 -10.441 -4.167 -2.537 470 HD11 ILE 61 3HD1 ILE 61 -12.412 -6.743 -6.279 471 HD12 ILE 61 1HD1 ILE 61 -12.624 -5.696 -4.877 472 HD13 ILE 61 2HD1 ILE 61 -11.886 -5.062 -6.348 473 H ASP 62 H ASP 62 -9.154 -7.452 -1.028 474 HA ASP 62 HA ASP 62 -9.095 -5.141 0.602 475 HB2 ASP 62 1HB ASP 62 -10.096 -7.318 1.280 476 HB3 ASP 62 2HB ASP 62 -8.473 -7.991 1.399 477 H GLU 63 H GLU 63 -6.641 -7.677 0.083 478 HA GLU 63 HA GLU 63 -4.618 -6.273 1.514 479 HB2 GLU 63 1HB GLU 63 -4.916 -8.830 0.250 480 HB3 GLU 63 2HB GLU 63 -3.410 -8.096 -0.282 481 HG2 GLU 63 1HG GLU 63 -3.084 -7.631 2.270 482 HG3 GLU 63 2HG GLU 63 -4.245 -8.946 2.444 483 H VAL 64 H VAL 64 -5.821 -6.110 -1.695 484 HA VAL 64 HA VAL 64 -3.437 -4.969 -2.851 485 HB VAL 64 HB VAL 64 -6.257 -5.151 -3.920 486 HG11 VAL 64 1HG1 VAL 64 -4.438 -4.849 -6.025 487 HG12 VAL 64 2HG1 VAL 64 -5.638 -3.681 -5.469 488 HG13 VAL 64 3HG1 VAL 64 -3.994 -3.628 -4.833 489 HG21 VAL 64 3HG2 VAL 64 -4.456 -7.169 -3.549 490 HG22 VAL 64 1HG2 VAL 64 -5.743 -7.168 -4.755 491 HG23 VAL 64 2HG2 VAL 64 -4.111 -6.673 -5.206 492 H ASP 65 H ASP 65 -6.643 -3.770 -1.895 493 HA ASP 65 HA ASP 65 -6.193 -1.079 -2.599 494 HB2 ASP 65 1HB ASP 65 -8.416 -2.245 -2.056 495 HB3 ASP 65 2HB ASP 65 -8.013 -1.957 -0.365 496 H GLU 66 H GLU 66 -4.445 -0.043 -1.836 497 HA GLU 66 HA GLU 66 -3.253 -0.469 0.673 498 HB2 GLU 66 1HB GLU 66 -2.045 1.654 0.224 499 HB3 GLU 66 2HB GLU 66 -1.990 0.526 -1.123 500 HG2 GLU 66 1HG GLU 66 -2.433 2.471 -2.223 501 HG3 GLU 66 2HG GLU 66 -4.071 1.879 -1.948 502 H ASP 67 H ASP 67 -5.816 1.663 -0.374 503 HA ASP 67 HA ASP 67 -5.882 2.984 2.236 504 HB2 ASP 67 1HB ASP 67 -7.758 4.320 1.089 505 HB3 ASP 67 2HB ASP 67 -6.111 4.569 0.517 506 H GLY 68 H GLY 68 -7.184 0.299 0.750 507 HA2 GLY 68 1HA GLY 68 -8.960 -1.082 1.218 508 HA3 GLY 68 2HA GLY 68 -8.810 -0.460 2.855 509 H SER 69 H SER 69 -9.703 1.323 -0.066 510 HA SER 69 HA SER 69 -11.979 2.459 1.259 511 HG SER 69 HG SER 69 -10.946 3.222 -2.603 512 HB2 SER 69 1HB SER 69 -12.363 3.595 -0.927 513 HB3 SER 69 2HB SER 69 -10.724 3.817 -0.314 514 H GLY 70 H GLY 70 -11.414 -0.287 -0.729 515 HA2 GLY 70 1HA GLY 70 -13.055 -2.040 -0.816 516 HA3 GLY 70 2HA GLY 70 -14.311 -0.812 -0.759 517 H THR 71 H THR 71 -11.655 -0.164 -2.824 518 HA THR 71 HA THR 71 -12.873 -1.373 -5.162 519 HB THR 71 HB THR 71 -12.563 1.127 -6.182 520 HG1 THR 71 HG1 THR 71 -13.285 1.356 -3.460 521 HG21 THR 71 3HG2 THR 71 -15.220 1.074 -5.314 522 HG22 THR 71 1HG2 THR 71 -14.747 -0.618 -5.462 523 HG23 THR 71 2HG2 THR 71 -14.589 0.466 -6.844 524 H VAL 72 H VAL 72 -11.535 -1.222 -7.065 525 HA VAL 72 HA VAL 72 -8.701 -0.948 -6.371 526 HB VAL 72 HB VAL 72 -10.177 -2.500 -8.455 527 HG11 VAL 72 1HG1 VAL 72 -7.349 -1.514 -8.661 528 HG12 VAL 72 2HG1 VAL 72 -7.885 -2.990 -9.465 529 HG13 VAL 72 3HG1 VAL 72 -8.632 -1.444 -9.869 530 HG21 VAL 72 3HG2 VAL 72 -9.611 -4.157 -7.088 531 HG22 VAL 72 1HG2 VAL 72 -7.911 -3.832 -7.426 532 HG23 VAL 72 2HG2 VAL 72 -8.707 -3.040 -6.066 533 H ASP 73 H ASP 73 -7.532 0.704 -7.089 534 HA ASP 73 HA ASP 73 -8.703 2.490 -9.090 535 HB2 ASP 73 1HB ASP 73 -6.280 2.967 -7.346 536 HB3 ASP 73 2HB ASP 73 -7.157 4.164 -8.296 537 H PHE 74 H PHE 74 -6.518 3.743 -10.108 538 HA PHE 74 HA PHE 74 -5.637 1.890 -12.079 539 HD1 PHE 74 HD1 PHE 74 -4.349 1.880 -13.776 540 HD2 PHE 74 HD2 PHE 74 -3.238 5.865 -12.774 541 HE1 PHE 74 HE1 PHE 74 -2.502 1.769 -15.398 542 HE2 PHE 74 HE2 PHE 74 -1.390 5.761 -14.395 543 HZ PHE 74 HZ PHE 74 -1.021 3.711 -15.711 544 HB2 PHE 74 1HB PHE 74 -5.948 4.184 -12.717 545 HB3 PHE 74 2HB PHE 74 -4.829 4.738 -11.476 546 H ASP 75 H ASP 75 -4.168 3.322 -9.221 547 HA ASP 75 HA ASP 75 -1.540 2.343 -9.729 548 HB2 ASP 75 1HB ASP 75 -2.942 3.587 -7.402 549 HB3 ASP 75 2HB ASP 75 -1.415 2.756 -7.118 550 H GLU 76 H GLU 76 -4.350 1.111 -8.021 551 HA GLU 76 HA GLU 76 -2.914 -1.141 -6.921 552 HB2 GLU 76 1HB GLU 76 -5.841 -0.404 -6.968 553 HB3 GLU 76 2HB GLU 76 -5.232 -1.879 -6.231 554 HG2 GLU 76 1HG GLU 76 -4.278 -0.780 -4.478 555 HG3 GLU 76 2HG GLU 76 -4.023 0.701 -5.400 556 H TRP 77 H TRP 77 -5.026 -0.483 -9.643 557 HA TRP 77 HA TRP 77 -5.476 -3.185 -10.382 558 HD1 TRP 77 HD1 TRP 77 -8.434 -3.134 -12.095 559 HE1 TRP 77 HE1 TRP 77 -8.517 -4.428 -14.318 560 HE3 TRP 77 HE3 TRP 77 -3.909 -1.735 -14.018 561 HZ2 TRP 77 HZ2 TRP 77 -6.881 -4.806 -16.587 562 HZ3 TRP 77 HZ3 TRP 77 -3.242 -2.607 -16.220 563 HH2 TRP 77 HH2 TRP 77 -4.699 -4.112 -17.476 564 HB2 TRP 77 1HB TRP 77 -6.885 -1.276 -11.134 565 HB3 TRP 77 2HB TRP 77 -5.550 -0.726 -12.143 566 H LEU 78 H LEU 78 -3.043 -0.791 -11.276 567 HA LEU 78 HA LEU 78 -1.835 -2.297 -13.341 568 HG LEU 78 HG LEU 78 -0.657 -0.414 -14.674 569 HB2 LEU 78 1HB LEU 78 -1.593 0.226 -12.563 570 HB3 LEU 78 2HB LEU 78 -0.208 -0.433 -11.694 571 HD11 LEU 78 1HD1 LEU 78 1.738 0.686 -13.297 572 HD12 LEU 78 2HD1 LEU 78 0.238 1.611 -13.252 573 HD13 LEU 78 3HD1 LEU 78 0.966 1.188 -14.801 574 HD21 LEU 78 3HD2 LEU 78 1.227 -1.971 -12.972 575 HD22 LEU 78 1HD2 LEU 78 1.789 -1.354 -14.525 576 HD23 LEU 78 2HD2 LEU 78 0.399 -2.437 -14.459 577 H VAL 79 H VAL 79 -0.963 -1.861 -9.917 578 HA VAL 79 HA VAL 79 1.270 -3.562 -9.925 579 HB VAL 79 HB VAL 79 0.897 -2.013 -8.099 580 HG11 VAL 79 1HG1 VAL 79 -1.557 -2.125 -8.066 581 HG12 VAL 79 2HG1 VAL 79 -1.465 -3.735 -7.351 582 HG13 VAL 79 3HG1 VAL 79 -0.865 -2.337 -6.459 583 HG21 VAL 79 3HG2 VAL 79 1.928 -3.325 -6.595 584 HG22 VAL 79 1HG2 VAL 79 0.612 -4.498 -6.570 585 HG23 VAL 79 2HG2 VAL 79 1.826 -4.562 -7.848 586 H MET 80 H MET 80 -2.140 -4.215 -9.754 587 HA MET 80 HA MET 80 -2.154 -6.745 -8.601 588 HB2 MET 80 1HB MET 80 -4.167 -5.379 -9.181 589 HB3 MET 80 2HB MET 80 -3.924 -5.816 -10.867 590 HG2 MET 80 1HG MET 80 -4.360 -8.106 -10.424 591 HG3 MET 80 2HG MET 80 -4.324 -7.838 -8.683 592 HE1 MET 80 3HE MET 80 -6.148 -6.427 -11.916 593 HE2 MET 80 1HE MET 80 -7.549 -5.680 -11.147 594 HE3 MET 80 2HE MET 80 -5.929 -5.075 -10.804 595 H MET 81 H MET 81 -1.899 -5.888 -12.051 596 HA MET 81 HA MET 81 -1.551 -8.555 -12.940 597 HB2 MET 81 1HB MET 81 -1.868 -6.038 -14.130 598 HB3 MET 81 2HB MET 81 -0.300 -6.613 -14.682 599 HG2 MET 81 1HG MET 81 -1.211 -8.119 -16.040 600 HG3 MET 81 2HG MET 81 -2.351 -8.663 -14.812 601 HE1 MET 81 3HE MET 81 -4.370 -7.471 -14.130 602 HE2 MET 81 1HE MET 81 -4.150 -5.733 -14.328 603 HE3 MET 81 2HE MET 81 -5.422 -6.568 -15.220 604 H ALA 82 H ALA 82 0.741 -5.928 -12.270 605 HA ALA 82 HA ALA 82 3.091 -7.162 -13.064 606 HB1 ALA 82 1HB ALA 82 2.359 -4.929 -11.345 607 HB2 ALA 82 2HB ALA 82 3.855 -5.722 -10.849 608 HB3 ALA 82 3HB ALA 82 3.693 -5.091 -12.488 609 H ARG 83 H ARG 83 1.120 -7.748 -10.266 610 HA ARG 83 HA ARG 83 3.015 -9.012 -8.618 611 HE ARG 83 HE ARG 83 -0.979 -11.296 -5.909 612 HB2 ARG 83 1HB ARG 83 0.799 -8.278 -7.831 613 HB3 ARG 83 2HB ARG 83 0.042 -9.524 -8.814 614 HG2 ARG 83 1HG ARG 83 0.567 -11.178 -7.370 615 HG3 ARG 83 2HG ARG 83 2.099 -10.435 -6.906 616 HD2 ARG 83 1HD ARG 83 1.173 -9.567 -5.083 617 HD3 ARG 83 2HD ARG 83 -0.066 -8.771 -6.053 618 HH11 ARG 83 1HH1 ARG 83 0.168 -9.072 -3.488 619 HH12 ARG 83 2HH1 ARG 83 -0.841 -9.713 -2.234 620 HH21 ARG 83 1HH2 ARG 83 -2.312 -12.149 -4.266 621 HH22 ARG 83 2HH2 ARG 83 -2.251 -11.464 -2.678 622 H CYS 84 H CYS 84 1.381 -10.058 -11.470 623 HA CYS 84 HA CYS 84 1.606 -12.861 -11.056 624 HG CYS 84 HG CYS 84 1.440 -13.629 -14.960 625 HB2 CYS 84 1HB CYS 84 0.055 -11.755 -12.693 626 HB3 CYS 84 2HB CYS 84 1.454 -11.401 -13.698 627 H MET 85 H MET 85 3.839 -10.424 -11.943 628 HA MET 85 HA MET 85 5.664 -12.145 -13.347 629 HB2 MET 85 1HB MET 85 6.854 -10.262 -13.798 630 HB3 MET 85 2HB MET 85 5.342 -9.483 -13.350 631 HG2 MET 85 1HG MET 85 6.190 -9.166 -11.075 632 HG3 MET 85 2HG MET 85 7.711 -9.920 -11.547 633 HE1 MET 85 3HE MET 85 5.901 -5.989 -12.758 634 HE2 MET 85 1HE MET 85 6.053 -6.997 -14.198 635 HE3 MET 85 2HE MET 85 5.146 -7.583 -12.804 636 H LYS 86 H LYS 86 5.074 -11.263 -10.059 637 HA LYS 86 HA LYS 86 6.224 -11.635 -8.108 638 HB2 LYS 86 1HB LYS 86 5.371 -13.936 -9.128 639 HB3 LYS 86 2HB LYS 86 7.096 -14.267 -9.204 640 HG2 LYS 86 1HG LYS 86 6.854 -15.011 -7.118 641 HG3 LYS 86 2HG LYS 86 6.817 -13.305 -6.665 642 HD2 LYS 86 1HD LYS 86 4.631 -13.370 -6.151 643 HD3 LYS 86 2HD LYS 86 4.234 -14.365 -7.554 644 HE2 LYS 86 1HE LYS 86 3.757 -15.579 -5.514 645 HE3 LYS 86 2HE LYS 86 5.097 -16.341 -6.368 646 HZ1 LYS 86 3HZ LYS 86 6.463 -15.967 -4.670 647 HZ2 LYS 86 1HZ LYS 86 5.089 -15.606 -3.751 648 HZ3 LYS 86 2HZ LYS 86 5.964 -14.361 -4.489 649 H ASP 87 H ASP 87 7.802 -10.064 -9.591 650 HA ASP 87 HA ASP 87 10.384 -11.167 -10.103 651 HB2 ASP 87 1HB ASP 87 9.603 -9.181 -11.295 652 HB3 ASP 87 2HB ASP 87 9.508 -8.289 -9.779 653 H ASP 88 H ASP 88 10.985 -12.217 -8.182 654 HA ASP 88 HA ASP 88 11.381 -10.547 -5.811 655 HB2 ASP 88 1HB ASP 88 10.327 -12.943 -5.841 656 HB3 ASP 88 2HB ASP 88 12.004 -13.478 -5.908 657 H SER 89 H SER 89 13.252 -9.507 -5.686 658 HA SER 89 HA SER 89 15.475 -9.030 -5.762 659 HG SER 89 HG SER 89 14.860 -12.073 -4.149 660 HB2 SER 89 1HB SER 89 15.977 -12.001 -5.940 661 HB3 SER 89 2HB SER 89 17.022 -10.762 -5.246 Start of MODEL 22 1 HA MET 1 HA MET 1 0.204 -3.848 -3.021 2 H1 MET 1 H MET 1 -1.561 -5.556 -1.652 3 HB2 MET 1 1HB MET 1 -1.730 -3.252 -1.434 4 HB3 MET 1 2HB MET 1 -0.570 -3.491 -0.134 5 HG2 MET 1 1HG MET 1 -0.642 -1.172 -0.614 6 HG3 MET 1 2HG MET 1 0.890 -1.793 -1.223 7 HE1 MET 1 3HE MET 1 1.259 0.229 -2.302 8 HE2 MET 1 1HE MET 1 1.594 -0.584 -3.832 9 HE3 MET 1 2HE MET 1 0.527 0.819 -3.795 10 H ASP 2 H ASP 2 2.309 -4.316 -3.199 11 HA ASP 2 HA ASP 2 3.917 -4.382 -0.793 12 HB2 ASP 2 1HB ASP 2 4.083 -6.666 -2.770 13 HB3 ASP 2 2HB ASP 2 5.064 -6.458 -1.321 14 H ASP 3 H ASP 3 6.091 -3.854 -1.149 15 HA ASP 3 HA ASP 3 6.581 -2.171 -3.364 16 HB2 ASP 3 1HB ASP 3 8.785 -1.869 -2.451 17 HB3 ASP 3 2HB ASP 3 7.647 -1.947 -1.108 18 H ILE 4 H ILE 4 7.108 -5.546 -2.814 19 HA ILE 4 HA ILE 4 9.109 -5.968 -4.781 20 HB ILE 4 HB ILE 4 8.759 -7.623 -3.056 21 HG12 ILE 4 1HG1 ILE 4 7.791 -9.191 -5.366 22 HG13 ILE 4 2HG1 ILE 4 9.195 -8.177 -5.679 23 HG21 ILE 4 1HG2 ILE 4 6.017 -7.965 -4.260 24 HG22 ILE 4 2HG2 ILE 4 6.722 -9.033 -3.048 25 HG23 ILE 4 3HG2 ILE 4 6.401 -7.345 -2.654 26 HD11 ILE 4 3HD1 ILE 4 10.030 -9.304 -3.432 27 HD12 ILE 4 1HD1 ILE 4 8.923 -10.569 -3.963 28 HD13 ILE 4 2HD1 ILE 4 10.250 -10.062 -5.009 29 H TYR 5 H TYR 5 5.617 -5.811 -4.870 30 HA TYR 5 HA TYR 5 5.462 -6.822 -7.577 31 HD1 TYR 5 HD2 TYR 5 4.720 -8.655 -7.480 32 HD2 TYR 5 HD1 TYR 5 2.211 -7.194 -4.370 33 HE1 TYR 5 HE2 TYR 5 4.409 -10.952 -6.660 34 HE2 TYR 5 HE1 TYR 5 1.894 -9.487 -3.540 35 HH TYR 5 HH TYR 5 3.573 -11.811 -3.870 36 HB2 TYR 5 1HB TYR 5 3.390 -5.673 -5.703 37 HB3 TYR 5 2HB TYR 5 3.025 -6.210 -7.339 38 H LYS 6 H LYS 6 5.092 -3.716 -5.917 39 HA LYS 6 HA LYS 6 4.406 -2.214 -8.213 40 HB2 LYS 6 1HB LYS 6 4.610 -0.312 -6.864 41 HB3 LYS 6 2HB LYS 6 4.155 -1.580 -5.733 42 HG2 LYS 6 1HG LYS 6 5.846 -0.662 -4.548 43 HG3 LYS 6 2HG LYS 6 6.797 -1.791 -5.516 44 HD2 LYS 6 1HD LYS 6 7.700 -0.139 -6.804 45 HD3 LYS 6 2HD LYS 6 6.280 0.900 -6.659 46 HE2 LYS 6 1HE LYS 6 7.868 2.030 -5.405 47 HE3 LYS 6 2HE LYS 6 6.989 1.116 -4.180 48 HZ1 LYS 6 3HZ LYS 6 9.732 1.002 -4.845 49 HZ2 LYS 6 1HZ LYS 6 9.035 -0.523 -5.074 50 HZ3 LYS 6 2HZ LYS 6 8.916 0.244 -3.572 51 H ALA 7 H ALA 7 7.452 -3.215 -6.831 52 HA ALA 7 HA ALA 7 9.118 -1.422 -8.262 53 HB1 ALA 7 1HB ALA 7 10.891 -3.197 -7.747 54 HB2 ALA 7 2HB ALA 7 10.099 -2.406 -6.383 55 HB3 ALA 7 3HB ALA 7 9.611 -4.031 -6.865 56 H ALA 8 H ALA 8 7.464 -4.309 -9.141 57 HA ALA 8 HA ALA 8 9.152 -4.981 -11.368 58 HB1 ALA 8 1HB ALA 8 6.667 -6.180 -11.772 59 HB2 ALA 8 2HB ALA 8 8.097 -6.909 -11.040 60 HB3 ALA 8 3HB ALA 8 6.881 -6.137 -10.022 61 H VAL 9 H VAL 9 6.019 -3.373 -10.948 62 HA VAL 9 HA VAL 9 5.575 -2.959 -13.731 63 HB VAL 9 HB VAL 9 3.855 -1.297 -12.950 64 HG11 VAL 9 1HG1 VAL 9 2.398 -2.986 -12.759 65 HG12 VAL 9 2HG1 VAL 9 3.804 -4.033 -12.965 66 HG13 VAL 9 3HG1 VAL 9 3.215 -3.654 -11.346 67 HG21 VAL 9 3HG2 VAL 9 4.604 -2.267 -10.197 68 HG22 VAL 9 1HG2 VAL 9 5.079 -0.701 -10.855 69 HG23 VAL 9 2HG2 VAL 9 3.372 -1.077 -10.618 70 H GLU 10 H GLU 10 7.300 -1.236 -11.257 71 HA GLU 10 HA GLU 10 7.404 1.281 -12.588 72 HB2 GLU 10 1HB GLU 10 8.696 0.044 -10.225 73 HB3 GLU 10 2HB GLU 10 9.564 1.372 -10.982 74 HG2 GLU 10 1HG GLU 10 6.853 2.146 -10.740 75 HG3 GLU 10 2HG GLU 10 7.364 1.470 -9.195 76 H GLN 11 H GLN 11 9.244 -1.660 -12.773 77 HA GLN 11 HA GLN 11 11.366 -0.395 -14.317 78 HB2 GLN 11 1HB GLN 11 12.398 -2.640 -14.308 79 HB3 GLN 11 2HB GLN 11 12.042 -2.058 -12.688 80 HG2 GLN 11 1HG GLN 11 10.131 -3.480 -12.522 81 HG3 GLN 11 2HG GLN 11 10.272 -3.947 -14.216 82 HE21 GLN 11 2HE2 GLN 11 10.757 -6.033 -14.194 83 HE22 GLN 11 1HE2 GLN 11 12.045 -6.758 -13.299 84 H LEU 12 H LEU 12 8.342 -1.483 -14.951 85 HA LEU 12 HA LEU 12 8.708 -3.035 -17.292 86 HG LEU 12 HG LEU 12 6.739 -3.680 -15.169 87 HB2 LEU 12 1HB LEU 12 6.425 -1.477 -16.145 88 HB3 LEU 12 2HB LEU 12 6.304 -2.185 -17.754 89 HD11 LEU 12 1HD1 LEU 12 4.524 -4.521 -15.479 90 HD12 LEU 12 2HD1 LEU 12 4.379 -3.714 -17.040 91 HD13 LEU 12 3HD1 LEU 12 4.456 -2.760 -15.559 92 HD21 LEU 12 3HD2 LEU 12 6.579 -4.629 -18.024 93 HD22 LEU 12 1HD2 LEU 12 6.403 -5.687 -16.623 94 HD23 LEU 12 2HD2 LEU 12 7.920 -4.829 -16.894 95 H THR 13 H THR 13 7.547 -2.134 -19.399 96 HA THR 13 HA THR 13 9.034 0.294 -20.117 97 HB THR 13 HB THR 13 9.506 -1.719 -21.464 98 HG1 THR 13 HG1 THR 13 8.103 -0.016 -23.203 99 HG21 THR 13 3HG2 THR 13 7.150 -2.628 -21.252 100 HG22 THR 13 1HG2 THR 13 7.881 -2.747 -22.852 101 HG23 THR 13 2HG2 THR 13 6.693 -1.487 -22.516 102 H GLU 14 H GLU 14 7.981 1.706 -21.784 103 HA GLU 14 HA GLU 14 5.601 2.779 -20.819 104 HB2 GLU 14 1HB GLU 14 6.845 3.038 -23.561 105 HB3 GLU 14 2HB GLU 14 5.526 4.040 -22.970 106 HG2 GLU 14 1HG GLU 14 7.081 4.670 -21.056 107 HG3 GLU 14 2HG GLU 14 8.367 3.946 -22.020 108 H GLU 15 H GLU 15 6.167 0.304 -23.222 109 HA GLU 15 HA GLU 15 3.624 0.280 -24.420 110 HB2 GLU 15 1HB GLU 15 5.482 -2.070 -24.023 111 HB3 GLU 15 2HB GLU 15 4.198 -1.941 -25.217 112 HG2 GLU 15 1HG GLU 15 6.485 -0.007 -25.158 113 HG3 GLU 15 2HG GLU 15 6.599 -1.558 -25.988 114 H GLN 16 H GLN 16 4.929 -1.571 -21.684 115 HA GLN 16 HA GLN 16 2.622 -3.094 -21.180 116 HB2 GLN 16 1HB GLN 16 4.802 -2.207 -19.284 117 HB3 GLN 16 2HB GLN 16 3.598 -3.437 -18.922 118 HG2 GLN 16 1HG GLN 16 5.131 -3.852 -21.397 119 HG3 GLN 16 2HG GLN 16 6.051 -3.958 -19.897 120 HE21 GLN 16 2HE2 GLN 16 6.399 -6.121 -19.896 121 HE22 GLN 16 1HE2 GLN 16 5.144 -7.300 -19.757 122 H LYS 17 H LYS 17 3.729 -0.016 -19.798 123 HA LYS 17 HA LYS 17 1.545 0.311 -18.031 124 HB2 LYS 17 1HB LYS 17 3.229 2.498 -19.258 125 HB3 LYS 17 2HB LYS 17 2.314 2.580 -17.759 126 HG2 LYS 17 1HG LYS 17 4.640 0.726 -18.221 127 HG3 LYS 17 2HG LYS 17 4.761 2.308 -17.448 128 HD2 LYS 17 1HD LYS 17 2.809 0.286 -16.424 129 HD3 LYS 17 2HD LYS 17 4.514 0.169 -15.984 130 HE2 LYS 17 1HE LYS 17 3.089 2.776 -15.686 131 HE3 LYS 17 2HE LYS 17 2.842 1.511 -14.483 132 HZ1 LYS 17 3HZ LYS 17 4.851 1.858 -13.618 133 HZ2 LYS 17 1HZ LYS 17 4.867 3.312 -14.483 134 HZ3 LYS 17 2HZ LYS 17 5.607 1.936 -15.129 135 H ASN 18 H ASN 18 2.083 1.221 -21.382 136 HA ASN 18 HA ASN 18 -0.161 2.925 -21.646 137 HB2 ASN 18 1HB ASN 18 1.728 1.567 -23.491 138 HB3 ASN 18 2HB ASN 18 0.181 2.063 -24.170 139 HD21 ASN 18 2HD2 ASN 18 2.874 3.048 -24.707 140 HD22 ASN 18 1HD2 ASN 18 2.835 4.744 -24.378 141 H GLU 19 H GLU 19 0.305 -0.541 -22.094 142 HA GLU 19 HA GLU 19 -2.242 -1.057 -23.229 143 HB2 GLU 19 1HB GLU 19 -0.167 -2.771 -21.894 144 HB3 GLU 19 2HB GLU 19 -1.724 -3.442 -22.359 145 HG2 GLU 19 1HG GLU 19 0.252 -2.127 -24.210 146 HG3 GLU 19 2HG GLU 19 -0.026 -3.860 -24.049 147 H PHE 20 H PHE 20 -0.995 -1.201 -19.916 148 HA PHE 20 HA PHE 20 -3.359 -2.198 -18.735 149 HD1 PHE 20 HD1 PHE 20 -2.398 -3.898 -18.383 150 HD2 PHE 20 HD2 PHE 20 0.781 -1.624 -16.697 151 HE1 PHE 20 HE1 PHE 20 -0.955 -5.891 -18.423 152 HE2 PHE 20 HE2 PHE 20 2.229 -3.613 -16.735 153 HZ PHE 20 HZ PHE 20 1.361 -5.750 -17.600 154 HB2 PHE 20 1HB PHE 20 -1.151 -0.540 -17.498 155 HB3 PHE 20 2HB PHE 20 -2.372 -1.441 -16.606 156 H LYS 21 H LYS 21 -2.096 1.101 -19.095 157 HA LYS 21 HA LYS 21 -4.174 2.421 -17.749 158 HB2 LYS 21 1HB LYS 21 -1.877 3.303 -18.593 159 HB3 LYS 21 2HB LYS 21 -2.741 3.646 -20.086 160 HG2 LYS 21 1HG LYS 21 -3.987 4.619 -17.593 161 HG3 LYS 21 2HG LYS 21 -2.491 5.408 -18.095 162 HD2 LYS 21 1HD LYS 21 -3.419 6.230 -20.037 163 HD3 LYS 21 2HD LYS 21 -4.652 4.969 -20.106 164 HE2 LYS 21 1HE LYS 21 -5.804 6.938 -19.531 165 HE3 LYS 21 2HE LYS 21 -5.645 6.034 -18.026 166 HZ1 LYS 21 3HZ LYS 21 -4.858 7.953 -17.231 167 HZ2 LYS 21 1HZ LYS 21 -4.530 8.589 -18.765 168 HZ3 LYS 21 2HZ LYS 21 -3.421 7.548 -18.026 169 H ALA 22 H ALA 22 -3.974 1.092 -20.947 170 HA ALA 22 HA ALA 22 -6.262 2.526 -21.959 171 HB1 ALA 22 1HB ALA 22 -4.209 1.475 -23.238 172 HB2 ALA 22 2HB ALA 22 -5.261 0.059 -23.282 173 HB3 ALA 22 3HB ALA 22 -5.802 1.582 -23.987 174 H ALA 23 H ALA 23 -5.603 -0.909 -21.245 175 HA ALA 23 HA ALA 23 -8.253 -1.784 -21.555 176 HB1 ALA 23 1HB ALA 23 -5.745 -2.914 -20.744 177 HB2 ALA 23 2HB ALA 23 -7.034 -3.477 -19.680 178 HB3 ALA 23 3HB ALA 23 -7.163 -3.713 -21.423 179 H PHE 24 H PHE 24 -6.676 -0.133 -18.971 180 HA PHE 24 HA PHE 24 -8.478 -0.918 -16.896 181 HD1 PHE 24 HD1 PHE 24 -7.710 -0.804 -14.342 182 HD2 PHE 24 HD2 PHE 24 -7.417 3.171 -15.836 183 HE1 PHE 24 HE1 PHE 24 -8.534 0.061 -12.191 184 HE2 PHE 24 HE2 PHE 24 -8.240 4.043 -13.687 185 HZ PHE 24 HZ PHE 24 -8.799 2.487 -11.861 186 HB2 PHE 24 1HB PHE 24 -6.244 -0.142 -16.336 187 HB3 PHE 24 2HB PHE 24 -6.564 1.416 -17.091 188 H ASP 25 H ASP 25 -8.387 1.625 -19.285 189 HA ASP 25 HA ASP 25 -10.319 3.332 -18.132 190 HB2 ASP 25 1HB ASP 25 -8.792 4.024 -19.949 191 HB3 ASP 25 2HB ASP 25 -9.645 2.953 -21.057 192 H ILE 26 H ILE 26 -10.567 0.609 -20.371 193 HA ILE 26 HA ILE 26 -13.332 0.874 -20.899 194 HB ILE 26 HB ILE 26 -11.598 -1.595 -21.024 195 HG12 ILE 26 1HG1 ILE 26 -12.137 -0.797 -23.599 196 HG13 ILE 26 2HG1 ILE 26 -11.947 0.741 -22.766 197 HG21 ILE 26 1HG2 ILE 26 -13.884 -2.274 -20.932 198 HG22 ILE 26 2HG2 ILE 26 -14.354 -1.042 -22.101 199 HG23 ILE 26 3HG2 ILE 26 -13.355 -2.403 -22.610 200 HD11 ILE 26 3HD1 ILE 26 -9.788 0.421 -23.290 201 HD12 ILE 26 1HD1 ILE 26 -9.800 -0.554 -21.821 202 HD13 ILE 26 2HD1 ILE 26 -9.959 -1.331 -23.397 203 H PHE 27 H PHE 27 -11.539 -0.545 -18.283 204 HA PHE 27 HA PHE 27 -13.728 -2.099 -17.260 205 HD1 PHE 27 HD1 PHE 27 -11.312 -2.818 -18.731 206 HD2 PHE 27 HD2 PHE 27 -11.708 -4.292 -14.758 207 HE1 PHE 27 HE1 PHE 27 -10.788 -5.087 -19.524 208 HE2 PHE 27 HE2 PHE 27 -11.184 -6.564 -15.545 209 HZ PHE 27 HZ PHE 27 -10.722 -6.963 -17.931 210 HB2 PHE 27 1HB PHE 27 -10.973 -1.417 -16.307 211 HB3 PHE 27 2HB PHE 27 -12.138 -2.081 -15.166 212 H VAL 28 H VAL 28 -12.279 1.039 -16.550 213 HA VAL 28 HA VAL 28 -14.098 1.536 -14.352 214 HB VAL 28 HB VAL 28 -13.013 3.714 -14.176 215 HG11 VAL 28 1HG1 VAL 28 -11.057 1.450 -14.562 216 HG12 VAL 28 2HG1 VAL 28 -10.730 2.946 -13.685 217 HG13 VAL 28 3HG1 VAL 28 -11.951 1.821 -13.088 218 HG21 VAL 28 3HG2 VAL 28 -11.741 2.903 -16.773 219 HG22 VAL 28 1HG2 VAL 28 -12.618 4.384 -16.387 220 HG23 VAL 28 2HG2 VAL 28 -11.010 4.111 -15.717 221 H LEU 29 H LEU 29 -14.599 1.440 -17.527 222 HA LEU 29 HA LEU 29 -15.704 3.859 -18.307 223 HG LEU 29 HG LEU 29 -14.425 2.433 -20.287 224 HB2 LEU 29 1HB LEU 29 -16.050 1.032 -19.085 225 HB3 LEU 29 2HB LEU 29 -17.339 2.133 -19.564 226 HD11 LEU 29 1HD1 LEU 29 -15.117 1.819 -22.531 227 HD12 LEU 29 2HD1 LEU 29 -16.773 1.583 -21.975 228 HD13 LEU 29 3HD1 LEU 29 -15.489 0.523 -21.394 229 HD21 LEU 29 3HD2 LEU 29 -16.514 4.325 -20.220 230 HD22 LEU 29 1HD2 LEU 29 -16.237 3.922 -21.915 231 HD23 LEU 29 2HD2 LEU 29 -14.903 4.504 -20.918 232 H GLY 30 H GLY 30 -16.914 1.489 -16.090 233 HA2 GLY 30 1HA GLY 30 -19.556 2.776 -16.050 234 HA3 GLY 30 2HA GLY 30 -19.161 1.224 -15.326 235 H ALA 31 H ALA 31 -17.381 4.259 -14.989 236 HA ALA 31 HA ALA 31 -18.444 4.855 -12.403 237 HB1 ALA 31 1HB ALA 31 -16.640 4.285 -11.015 238 HB2 ALA 31 2HB ALA 31 -16.907 2.860 -12.020 239 HB3 ALA 31 3HB ALA 31 -15.578 3.960 -12.386 240 H GLU 32 H GLU 32 -18.596 6.985 -12.747 241 HA GLU 32 HA GLU 32 -16.938 8.537 -14.363 242 HB2 GLU 32 1HB GLU 32 -19.265 9.024 -13.200 243 HB3 GLU 32 2HB GLU 32 -18.245 9.777 -11.982 244 HG2 GLU 32 1HG GLU 32 -17.344 11.305 -13.574 245 HG3 GLU 32 2HG GLU 32 -18.131 10.461 -14.907 246 H ASP 33 H ASP 33 -16.512 7.432 -11.116 247 HA ASP 33 HA ASP 33 -14.566 9.366 -10.330 248 HB2 ASP 33 1HB ASP 33 -15.348 6.662 -9.247 249 HB3 ASP 33 2HB ASP 33 -14.045 7.614 -8.540 250 H GLY 34 H GLY 34 -14.486 6.413 -12.141 251 HA2 GLY 34 1HA GLY 34 -12.733 5.714 -13.524 252 HA3 GLY 34 2HA GLY 34 -11.666 6.845 -12.705 253 H CYS 35 H CYS 35 -13.684 4.169 -11.505 254 HA CYS 35 HA CYS 35 -11.280 2.716 -10.720 255 HG CYS 35 HG CYS 35 -14.804 2.421 -8.735 256 HB2 CYS 35 1HB CYS 35 -11.970 2.468 -8.414 257 HB3 CYS 35 2HB CYS 35 -11.871 4.182 -8.799 258 H ILE 36 H ILE 36 -12.016 0.577 -9.584 259 HA ILE 36 HA ILE 36 -14.430 -0.447 -10.919 260 HB ILE 36 HB ILE 36 -11.765 -1.861 -10.769 261 HG12 ILE 36 1HG1 ILE 36 -13.005 -1.527 -13.387 262 HG13 ILE 36 2HG1 ILE 36 -12.661 0.014 -12.610 263 HG21 ILE 36 1HG2 ILE 36 -13.000 -3.546 -12.229 264 HG22 ILE 36 2HG2 ILE 36 -13.392 -3.531 -10.510 265 HG23 ILE 36 3HG2 ILE 36 -14.481 -2.770 -11.669 266 HD11 ILE 36 3HD1 ILE 36 -10.714 -0.349 -13.740 267 HD12 ILE 36 1HD1 ILE 36 -10.322 -1.077 -12.183 268 HD13 ILE 36 2HD1 ILE 36 -10.794 -2.099 -13.542 269 H SER 37 H SER 37 -15.803 -1.172 -9.446 270 HA SER 37 HA SER 37 -14.855 -1.929 -6.804 271 HG SER 37 HG SER 37 -18.353 -1.157 -8.427 272 HB2 SER 37 1HB SER 37 -17.163 -1.862 -6.130 273 HB3 SER 37 2HB SER 37 -16.864 -0.450 -7.143 274 H THR 38 H THR 38 -15.007 -3.942 -5.905 275 HA THR 38 HA THR 38 -14.686 -6.192 -7.451 276 HB THR 38 HB THR 38 -14.060 -6.394 -5.195 277 HG1 THR 38 HG1 THR 38 -15.460 -8.165 -4.453 278 HG21 THR 38 3HG2 THR 38 -15.127 -5.104 -3.712 279 HG22 THR 38 1HG2 THR 38 -16.328 -6.390 -3.604 280 HG23 THR 38 2HG2 THR 38 -16.582 -5.036 -4.705 281 H LYS 39 H LYS 39 -17.654 -4.683 -6.398 282 HA LYS 39 HA LYS 39 -19.418 -6.823 -6.899 283 HB2 LYS 39 1HB LYS 39 -19.769 -3.838 -6.785 284 HB3 LYS 39 2HB LYS 39 -21.112 -4.896 -7.195 285 HG2 LYS 39 1HG LYS 39 -21.021 -5.969 -5.077 286 HG3 LYS 39 2HG LYS 39 -19.494 -5.179 -4.676 287 HD2 LYS 39 1HD LYS 39 -21.162 -3.995 -3.495 288 HD3 LYS 39 2HD LYS 39 -20.740 -2.980 -4.876 289 HE2 LYS 39 1HE LYS 39 -22.976 -4.922 -5.168 290 HE3 LYS 39 2HE LYS 39 -23.255 -3.459 -4.225 291 HZ1 LYS 39 3HZ LYS 39 -22.049 -2.497 -6.428 292 HZ2 LYS 39 1HZ LYS 39 -23.724 -2.560 -6.201 293 HZ3 LYS 39 2HZ LYS 39 -22.943 -3.779 -7.074 294 H GLU 40 H GLU 40 -18.363 -4.115 -8.943 295 HA GLU 40 HA GLU 40 -19.881 -5.032 -11.205 296 HB2 GLU 40 1HB GLU 40 -17.670 -2.973 -11.098 297 HB3 GLU 40 2HB GLU 40 -18.814 -3.205 -12.413 298 HG2 GLU 40 1HG GLU 40 -19.759 -2.558 -9.650 299 HG3 GLU 40 2HG GLU 40 -19.211 -1.292 -10.747 300 H LEU 41 H LEU 41 -16.525 -5.193 -10.144 301 HA LEU 41 HA LEU 41 -15.269 -6.081 -12.426 302 HG LEU 41 HG LEU 41 -13.666 -8.573 -10.664 303 HB2 LEU 41 1HB LEU 41 -14.000 -5.592 -10.471 304 HB3 LEU 41 2HB LEU 41 -14.831 -6.842 -9.548 305 HD11 LEU 41 1HD1 LEU 41 -11.868 -7.493 -12.424 306 HD12 LEU 41 2HD1 LEU 41 -13.322 -6.546 -12.732 307 HD13 LEU 41 3HD1 LEU 41 -13.372 -8.304 -12.860 308 HD21 LEU 41 3HD2 LEU 41 -12.294 -7.686 -8.978 309 HD22 LEU 41 1HD2 LEU 41 -11.901 -6.255 -9.931 310 HD23 LEU 41 2HD2 LEU 41 -11.244 -7.826 -10.389 311 H GLY 42 H GLY 42 -17.356 -7.858 -10.237 312 HA2 GLY 42 1HA GLY 42 -16.776 -10.470 -11.061 313 HA3 GLY 42 2HA GLY 42 -18.313 -9.937 -10.396 314 H LYS 43 H LYS 43 -18.863 -8.031 -12.499 315 HA LYS 43 HA LYS 43 -20.233 -9.709 -14.293 316 HB2 LYS 43 1HB LYS 43 -21.135 -7.792 -15.158 317 HB3 LYS 43 2HB LYS 43 -20.546 -7.161 -13.626 318 HG2 LYS 43 1HG LYS 43 -18.447 -6.486 -14.845 319 HG3 LYS 43 2HG LYS 43 -19.293 -6.883 -16.342 320 HD2 LYS 43 1HD LYS 43 -21.145 -5.317 -15.329 321 HD3 LYS 43 2HD LYS 43 -19.788 -4.672 -14.402 322 HE2 LYS 43 1HE LYS 43 -18.577 -4.259 -16.501 323 HE3 LYS 43 2HE LYS 43 -19.959 -4.871 -17.409 324 HZ1 LYS 43 3HZ LYS 43 -20.072 -2.510 -17.382 325 HZ2 LYS 43 1HZ LYS 43 -19.871 -2.445 -15.704 326 HZ3 LYS 43 2HZ LYS 43 -21.295 -3.079 -16.360 327 H VAL 44 H VAL 44 -17.128 -8.073 -14.491 328 HA VAL 44 HA VAL 44 -16.664 -8.504 -17.246 329 HB VAL 44 HB VAL 44 -14.656 -8.171 -15.013 330 HG11 VAL 44 1HG1 VAL 44 -14.323 -8.760 -17.802 331 HG12 VAL 44 2HG1 VAL 44 -13.650 -7.171 -17.433 332 HG13 VAL 44 3HG1 VAL 44 -13.101 -8.591 -16.542 333 HG21 VAL 44 3HG2 VAL 44 -14.577 -5.815 -15.847 334 HG22 VAL 44 1HG2 VAL 44 -15.985 -6.181 -16.844 335 HG23 VAL 44 2HG2 VAL 44 -16.102 -6.267 -15.087 336 H MET 45 H MET 45 -16.095 -10.456 -14.383 337 HA MET 45 HA MET 45 -14.342 -12.356 -15.338 338 HB2 MET 45 1HB MET 45 -16.722 -12.973 -13.586 339 HB3 MET 45 2HB MET 45 -15.194 -13.841 -13.652 340 HG2 MET 45 1HG MET 45 -15.666 -11.066 -12.598 341 HG3 MET 45 2HG MET 45 -15.238 -12.505 -11.675 342 HE1 MET 45 3HE MET 45 -13.201 -13.535 -14.215 343 HE2 MET 45 1HE MET 45 -11.653 -13.135 -13.472 344 HE3 MET 45 2HE MET 45 -12.911 -13.922 -12.518 345 H ARG 46 H ARG 46 -17.735 -11.947 -16.046 346 HA ARG 46 HA ARG 46 -18.229 -14.495 -17.155 347 HE ARG 46 HE ARG 46 -21.797 -12.413 -14.120 348 HB2 ARG 46 1HB ARG 46 -19.565 -11.897 -17.925 349 HB3 ARG 46 2HB ARG 46 -20.217 -13.520 -18.106 350 HG2 ARG 46 1HG ARG 46 -20.267 -13.759 -15.664 351 HG3 ARG 46 2HG ARG 46 -19.659 -12.109 -15.506 352 HD2 ARG 46 1HD ARG 46 -21.654 -11.315 -16.753 353 HD3 ARG 46 2HD ARG 46 -22.270 -12.967 -16.746 354 HH11 ARG 46 1HH1 ARG 46 -23.654 -10.905 -16.649 355 HH12 ARG 46 2HH1 ARG 46 -24.845 -10.260 -15.568 356 HH21 ARG 46 1HH2 ARG 46 -23.358 -11.569 -12.687 357 HH22 ARG 46 2HH2 ARG 46 -24.675 -10.637 -13.315 358 H MET 47 H MET 47 -17.009 -11.484 -18.528 359 HA MET 47 HA MET 47 -17.079 -12.296 -21.235 360 HB2 MET 47 1HB MET 47 -15.192 -10.299 -19.978 361 HB3 MET 47 2HB MET 47 -15.657 -10.393 -21.672 362 HG2 MET 47 1HG MET 47 -18.072 -10.073 -20.676 363 HG3 MET 47 2HG MET 47 -17.173 -9.357 -19.340 364 HE1 MET 47 3HE MET 47 -18.418 -7.594 -23.178 365 HE2 MET 47 1HE MET 47 -17.198 -8.806 -23.569 366 HE3 MET 47 2HE MET 47 -18.604 -9.251 -22.604 367 H LEU 48 H LEU 48 -14.679 -12.627 -18.686 368 HA LEU 48 HA LEU 48 -12.569 -13.542 -20.350 369 HG LEU 48 HG LEU 48 -11.023 -12.393 -17.196 370 HB2 LEU 48 1HB LEU 48 -13.118 -13.686 -17.407 371 HB3 LEU 48 2HB LEU 48 -11.721 -14.495 -18.114 372 HD11 LEU 48 1HD1 LEU 48 -11.184 -11.983 -20.169 373 HD12 LEU 48 2HD1 LEU 48 -10.126 -13.183 -19.426 374 HD13 LEU 48 3HD1 LEU 48 -9.912 -11.471 -19.059 375 HD21 LEU 48 3HD2 LEU 48 -13.057 -11.073 -18.987 376 HD22 LEU 48 1HD2 LEU 48 -11.955 -10.277 -17.864 377 HD23 LEU 48 2HD2 LEU 48 -13.248 -11.307 -17.249 378 H GLY 49 H GLY 49 -15.369 -15.048 -19.013 379 HA2 GLY 49 1HA GLY 49 -16.169 -17.119 -19.902 380 HA3 GLY 49 2HA GLY 49 -14.504 -17.598 -20.193 381 H GLN 50 H GLN 50 -15.155 -16.123 -17.167 382 HA GLN 50 HA GLN 50 -15.353 -18.748 -15.861 383 HB2 GLN 50 1HB GLN 50 -13.465 -16.505 -15.133 384 HB3 GLN 50 2HB GLN 50 -13.786 -17.892 -14.100 385 HG2 GLN 50 1HG GLN 50 -13.058 -19.298 -16.127 386 HG3 GLN 50 2HG GLN 50 -12.365 -17.793 -16.729 387 HE21 GLN 50 2HE2 GLN 50 -11.216 -16.598 -14.736 388 HE22 GLN 50 1HE2 GLN 50 -10.039 -17.586 -13.948 389 H ASN 51 H ASN 51 -16.189 -18.670 -13.669 390 HA ASN 51 HA ASN 51 -17.633 -16.213 -12.984 391 HB2 ASN 51 1HB ASN 51 -19.243 -17.586 -14.192 392 HB3 ASN 51 2HB ASN 51 -18.883 -18.963 -13.154 393 HD21 ASN 51 2HD2 ASN 51 -20.254 -19.297 -11.572 394 HD22 ASN 51 1HD2 ASN 51 -21.265 -18.110 -10.828 395 HA PRO 52 HA PRO 52 -15.451 -18.256 -9.391 396 HB2 PRO 52 1HB PRO 52 -14.077 -16.041 -8.632 397 HB3 PRO 52 2HB PRO 52 -13.464 -17.189 -9.828 398 HG2 PRO 52 1HG PRO 52 -14.822 -14.555 -10.252 399 HG3 PRO 52 2HG PRO 52 -13.406 -15.229 -11.079 400 HD2 PRO 52 1HD PRO 52 -15.885 -15.272 -12.166 401 HD3 PRO 52 2HD PRO 52 -14.688 -16.548 -12.468 402 H THR 53 H THR 53 -15.322 -17.253 -7.083 403 HA THR 53 HA THR 53 -17.989 -16.385 -6.418 404 HB THR 53 HB THR 53 -16.724 -18.057 -5.049 405 HG1 THR 53 HG1 THR 53 -17.829 -17.399 -3.334 406 HG21 THR 53 3HG2 THR 53 -14.712 -17.607 -4.199 407 HG22 THR 53 1HG2 THR 53 -15.305 -16.130 -3.442 408 HG23 THR 53 2HG2 THR 53 -14.724 -16.096 -5.107 409 HA PRO 54 HA PRO 54 -17.214 -12.056 -6.195 410 HB2 PRO 54 1HB PRO 54 -19.165 -11.356 -4.441 411 HB3 PRO 54 2HB PRO 54 -19.497 -11.803 -6.119 412 HG2 PRO 54 1HG PRO 54 -19.729 -13.458 -3.635 413 HG3 PRO 54 2HG PRO 54 -20.838 -13.348 -5.014 414 HD2 PRO 54 1HD PRO 54 -19.085 -15.389 -4.715 415 HD3 PRO 54 2HD PRO 54 -19.573 -14.776 -6.308 416 H GLU 55 H GLU 55 -17.496 -13.909 -3.201 417 HA GLU 55 HA GLU 55 -16.519 -11.967 -1.430 418 HB2 GLU 55 1HB GLU 55 -16.437 -14.982 -1.334 419 HB3 GLU 55 2HB GLU 55 -15.878 -13.969 -0.010 420 HG2 GLU 55 1HG GLU 55 -18.661 -14.270 -1.081 421 HG3 GLU 55 2HG GLU 55 -18.066 -14.589 0.548 422 H GLU 56 H GLU 56 -14.872 -14.265 -3.517 423 HA GLU 56 HA GLU 56 -12.279 -13.904 -2.425 424 HB2 GLU 56 1HB GLU 56 -12.878 -15.853 -3.795 425 HB3 GLU 56 2HB GLU 56 -13.098 -14.808 -5.192 426 HG2 GLU 56 1HG GLU 56 -10.997 -15.443 -5.653 427 HG3 GLU 56 2HG GLU 56 -10.584 -14.150 -4.528 428 H LEU 57 H LEU 57 -14.027 -12.374 -5.090 429 HA LEU 57 HA LEU 57 -12.026 -10.898 -6.264 430 HG LEU 57 HG LEU 57 -14.757 -12.145 -6.976 431 HB2 LEU 57 1HB LEU 57 -14.844 -9.978 -5.717 432 HB3 LEU 57 2HB LEU 57 -13.751 -9.304 -6.924 433 HD11 LEU 57 1HD1 LEU 57 -15.753 -9.904 -8.704 434 HD12 LEU 57 2HD1 LEU 57 -16.532 -10.326 -7.180 435 HD13 LEU 57 3HD1 LEU 57 -16.436 -11.515 -8.479 436 HD21 LEU 57 3HD2 LEU 57 -13.537 -12.427 -8.833 437 HD22 LEU 57 1HD2 LEU 57 -12.617 -11.037 -8.254 438 HD23 LEU 57 2HD2 LEU 57 -13.905 -10.811 -9.438 439 H GLN 58 H GLN 58 -14.125 -9.809 -3.592 440 HA GLN 58 HA GLN 58 -12.692 -7.408 -3.142 441 HB2 GLN 58 1HB GLN 58 -14.939 -7.492 -2.383 442 HB3 GLN 58 2HB GLN 58 -14.655 -8.970 -1.473 443 HG2 GLN 58 1HG GLN 58 -14.847 -7.106 0.033 444 HG3 GLN 58 2HG GLN 58 -13.198 -7.727 0.061 445 HE21 GLN 58 2HE2 GLN 58 -11.739 -6.193 0.158 446 HE22 GLN 58 1HE2 GLN 58 -11.846 -4.629 -0.566 447 H GLU 59 H GLU 59 -12.218 -10.676 -2.123 448 HA GLU 59 HA GLU 59 -10.728 -10.288 0.212 449 HB2 GLU 59 1HB GLU 59 -11.622 -12.471 -0.919 450 HB3 GLU 59 2HB GLU 59 -10.056 -12.481 -1.718 451 HG2 GLU 59 1HG GLU 59 -9.038 -12.307 0.599 452 HG3 GLU 59 2HG GLU 59 -10.646 -12.679 1.216 453 H MET 60 H MET 60 -9.581 -10.715 -3.137 454 HA MET 60 HA MET 60 -6.858 -10.229 -2.503 455 HB2 MET 60 1HB MET 60 -8.118 -9.844 -5.213 456 HB3 MET 60 2HB MET 60 -6.455 -10.281 -4.845 457 HG2 MET 60 1HG MET 60 -7.520 -12.386 -3.767 458 HG3 MET 60 2HG MET 60 -8.917 -11.962 -4.754 459 HE1 MET 60 3HE MET 60 -6.256 -14.759 -5.307 460 HE2 MET 60 1HE MET 60 -7.936 -14.497 -4.837 461 HE3 MET 60 2HE MET 60 -7.546 -14.961 -6.493 462 H ILE 61 H ILE 61 -9.493 -8.191 -3.661 463 HA ILE 61 HA ILE 61 -7.991 -5.892 -4.241 464 HB ILE 61 HB ILE 61 -10.865 -6.192 -3.379 465 HG12 ILE 61 1HG1 ILE 61 -9.585 -5.652 -6.067 466 HG13 ILE 61 2HG1 ILE 61 -10.291 -7.180 -5.552 467 HG21 ILE 61 1HG2 ILE 61 -10.185 -3.979 -2.756 468 HG22 ILE 61 2HG2 ILE 61 -9.399 -3.732 -4.314 469 HG23 ILE 61 3HG2 ILE 61 -11.155 -3.870 -4.224 470 HD11 ILE 61 3HD1 ILE 61 -11.559 -4.810 -6.638 471 HD12 ILE 61 1HD1 ILE 61 -12.147 -6.469 -6.539 472 HD13 ILE 61 2HD1 ILE 61 -12.333 -5.384 -5.161 473 H ASP 62 H ASP 62 -8.992 -7.278 -1.240 474 HA ASP 62 HA ASP 62 -8.873 -4.955 0.373 475 HB2 ASP 62 1HB ASP 62 -9.962 -7.103 1.039 476 HB3 ASP 62 2HB ASP 62 -8.359 -7.813 1.216 477 H GLU 63 H GLU 63 -6.503 -7.558 -0.178 478 HA GLU 63 HA GLU 63 -4.448 -6.275 1.319 479 HB2 GLU 63 1HB GLU 63 -4.821 -8.774 -0.027 480 HB3 GLU 63 2HB GLU 63 -3.295 -8.073 -0.545 481 HG2 GLU 63 1HG GLU 63 -2.314 -8.506 1.401 482 HG3 GLU 63 2HG GLU 63 -3.682 -7.890 2.325 483 H VAL 64 H VAL 64 -5.590 -6.004 -1.918 484 HA VAL 64 HA VAL 64 -3.166 -4.864 -2.985 485 HB VAL 64 HB VAL 64 -5.960 -4.979 -4.128 486 HG11 VAL 64 1HG1 VAL 64 -5.288 -3.507 -5.648 487 HG12 VAL 64 2HG1 VAL 64 -3.674 -3.449 -4.936 488 HG13 VAL 64 3HG1 VAL 64 -4.054 -4.656 -6.165 489 HG21 VAL 64 3HG2 VAL 64 -3.781 -6.506 -5.369 490 HG22 VAL 64 1HG2 VAL 64 -4.234 -7.043 -3.752 491 HG23 VAL 64 2HG2 VAL 64 -5.447 -6.975 -5.030 492 H ASP 65 H ASP 65 -6.393 -3.641 -2.123 493 HA ASP 65 HA ASP 65 -5.866 -0.939 -2.725 494 HB2 ASP 65 1HB ASP 65 -8.121 -2.173 -2.238 495 HB3 ASP 65 2HB ASP 65 -7.789 -1.733 -0.565 496 H GLU 66 H GLU 66 -4.153 0.061 -1.849 497 HA GLU 66 HA GLU 66 -3.128 -0.461 0.733 498 HB2 GLU 66 1HB GLU 66 -1.742 1.543 0.366 499 HB3 GLU 66 2HB GLU 66 -1.719 0.461 -1.018 500 HG2 GLU 66 1HG GLU 66 -1.999 2.421 -2.110 501 HG3 GLU 66 2HG GLU 66 -3.693 2.033 -1.814 502 H ASP 67 H ASP 67 -5.322 1.993 -0.531 503 HA ASP 67 HA ASP 67 -5.585 3.191 2.121 504 HB2 ASP 67 1HB ASP 67 -6.560 5.042 1.089 505 HB3 ASP 67 2HB ASP 67 -5.384 4.507 -0.108 506 H GLY 68 H GLY 68 -6.987 0.743 0.344 507 HA2 GLY 68 1HA GLY 68 -8.950 -0.437 0.526 508 HA3 GLY 68 2HA GLY 68 -8.947 0.112 2.196 509 H SER 69 H SER 69 -9.396 1.803 -0.907 510 HA SER 69 HA SER 69 -11.519 3.391 0.182 511 HG SER 69 HG SER 69 -9.770 3.277 -3.406 512 HB2 SER 69 1HB SER 69 -11.628 3.759 -2.551 513 HB3 SER 69 2HB SER 69 -10.644 4.701 -1.431 514 H GLY 70 H GLY 70 -11.333 0.326 -1.270 515 HA2 GLY 70 1HA GLY 70 -13.249 -1.123 -1.207 516 HA3 GLY 70 2HA GLY 70 -14.267 0.276 -1.512 517 H THR 71 H THR 71 -11.692 0.656 -3.488 518 HA THR 71 HA THR 71 -12.651 -1.093 -5.619 519 HB THR 71 HB THR 71 -13.016 0.639 -7.211 520 HG1 THR 71 HG1 THR 71 -12.335 2.574 -5.239 521 HG21 THR 71 3HG2 THR 71 -14.931 0.252 -5.791 522 HG22 THR 71 1HG2 THR 71 -14.829 1.973 -6.161 523 HG23 THR 71 2HG2 THR 71 -14.309 1.377 -4.584 524 H VAL 72 H VAL 72 -11.239 -0.877 -7.603 525 HA VAL 72 HA VAL 72 -8.450 -0.592 -6.732 526 HB VAL 72 HB VAL 72 -9.809 -2.306 -8.749 527 HG11 VAL 72 1HG1 VAL 72 -7.039 -1.189 -9.045 528 HG12 VAL 72 2HG1 VAL 72 -7.486 -2.754 -9.728 529 HG13 VAL 72 3HG1 VAL 72 -8.325 -1.292 -10.248 530 HG21 VAL 72 3HG2 VAL 72 -7.494 -3.484 -7.668 531 HG22 VAL 72 1HG2 VAL 72 -8.278 -2.613 -6.349 532 HG23 VAL 72 2HG2 VAL 72 -9.175 -3.828 -7.259 533 H ASP 73 H ASP 73 -7.219 0.998 -7.492 534 HA ASP 73 HA ASP 73 -8.290 2.701 -9.617 535 HB2 ASP 73 1HB ASP 73 -7.380 3.501 -7.283 536 HB3 ASP 73 2HB ASP 73 -5.811 3.361 -8.073 537 H PHE 74 H PHE 74 -6.514 3.732 -11.035 538 HA PHE 74 HA PHE 74 -5.464 1.803 -12.721 539 HD1 PHE 74 HD2 PHE 74 -4.286 1.619 -14.383 540 HD2 PHE 74 HD1 PHE 74 -3.117 5.682 -13.892 541 HE1 PHE 74 HE2 PHE 74 -2.567 1.331 -16.120 542 HE2 PHE 74 HE1 PHE 74 -1.397 5.401 -15.629 543 HZ PHE 74 HZ PHE 74 -1.119 3.223 -16.744 544 HB2 PHE 74 1HB PHE 74 -5.795 4.096 -13.451 545 HB3 PHE 74 2HB PHE 74 -4.566 4.664 -12.325 546 H ASP 75 H ASP 75 -4.027 3.355 -9.925 547 HA ASP 75 HA ASP 75 -1.370 2.470 -10.358 548 HB2 ASP 75 1HB ASP 75 -1.977 4.330 -8.831 549 HB3 ASP 75 2HB ASP 75 -2.716 3.163 -7.739 550 H GLU 76 H GLU 76 -3.793 1.313 -8.004 551 HA GLU 76 HA GLU 76 -2.367 -0.985 -7.255 552 HB2 GLU 76 1HB GLU 76 -5.287 -0.265 -7.101 553 HB3 GLU 76 2HB GLU 76 -4.675 -1.800 -6.500 554 HG2 GLU 76 1HG GLU 76 -3.617 -0.849 -4.728 555 HG3 GLU 76 2HG GLU 76 -3.333 0.673 -5.571 556 H TRP 77 H TRP 77 -4.525 -0.350 -9.919 557 HA TRP 77 HA TRP 77 -5.029 -3.055 -10.624 558 HD1 TRP 77 HD1 TRP 77 -8.131 -2.817 -11.895 559 HE1 TRP 77 HE1 TRP 77 -8.589 -4.304 -13.945 560 HE3 TRP 77 HE3 TRP 77 -3.785 -2.015 -14.465 561 HZ2 TRP 77 HZ2 TRP 77 -7.281 -5.039 -16.336 562 HZ3 TRP 77 HZ3 TRP 77 -3.467 -3.149 -16.626 563 HH2 TRP 77 HH2 TRP 77 -5.180 -4.629 -17.540 564 HB2 TRP 77 1HB TRP 77 -6.340 -0.987 -11.352 565 HB3 TRP 77 2HB TRP 77 -5.059 -0.718 -12.531 566 H LEU 78 H LEU 78 -2.445 -0.817 -11.296 567 HA LEU 78 HA LEU 78 -1.323 -2.252 -13.488 568 HG LEU 78 HG LEU 78 -1.835 0.319 -13.744 569 HB2 LEU 78 1HB LEU 78 -0.291 -0.122 -11.644 570 HB3 LEU 78 2HB LEU 78 0.745 -0.874 -12.856 571 HD11 LEU 78 1HD1 LEU 78 0.436 2.170 -13.743 572 HD12 LEU 78 2HD1 LEU 78 -0.239 1.833 -12.149 573 HD13 LEU 78 3HD1 LEU 78 -1.274 2.465 -13.429 574 HD21 LEU 78 3HD2 LEU 78 0.934 0.105 -14.922 575 HD22 LEU 78 1HD2 LEU 78 -0.447 0.864 -15.714 576 HD23 LEU 78 2HD2 LEU 78 -0.478 -0.863 -15.353 577 H VAL 79 H VAL 79 -0.487 -2.029 -10.037 578 HA VAL 79 HA VAL 79 1.671 -3.826 -10.103 579 HB VAL 79 HB VAL 79 1.340 -4.052 -7.665 580 HG11 VAL 79 1HG1 VAL 79 2.072 -1.926 -7.170 581 HG12 VAL 79 2HG1 VAL 79 2.350 -1.986 -8.911 582 HG13 VAL 79 3HG1 VAL 79 0.929 -1.159 -8.272 583 HG21 VAL 79 3HG2 VAL 79 -0.464 -2.926 -6.536 584 HG22 VAL 79 1HG2 VAL 79 -1.085 -2.305 -8.066 585 HG23 VAL 79 2HG2 VAL 79 -1.141 -4.035 -7.728 586 H MET 80 H MET 80 -1.771 -4.328 -9.982 587 HA MET 80 HA MET 80 -1.946 -6.892 -8.956 588 HB2 MET 80 1HB MET 80 -3.563 -5.290 -10.868 589 HB3 MET 80 2HB MET 80 -3.881 -7.018 -10.799 590 HG2 MET 80 1HG MET 80 -3.986 -6.599 -8.225 591 HG3 MET 80 2HG MET 80 -4.280 -4.932 -8.714 592 HE1 MET 80 3HE MET 80 -6.333 -6.379 -11.679 593 HE2 MET 80 1HE MET 80 -7.290 -5.098 -10.934 594 HE3 MET 80 2HE MET 80 -5.546 -4.904 -11.114 595 H MET 81 H MET 81 -1.374 -5.904 -12.324 596 HA MET 81 HA MET 81 -1.217 -8.513 -13.382 597 HB2 MET 81 1HB MET 81 -1.370 -6.122 -14.524 598 HB3 MET 81 2HB MET 81 0.377 -6.305 -14.598 599 HG2 MET 81 1HG MET 81 -0.349 -7.124 -16.638 600 HG3 MET 81 2HG MET 81 -0.095 -8.576 -15.674 601 HE1 MET 81 3HE MET 81 -3.758 -6.597 -17.235 602 HE2 MET 81 1HE MET 81 -3.860 -6.411 -15.484 603 HE3 MET 81 2HE MET 81 -2.440 -5.826 -16.351 604 H ALA 82 H ALA 82 1.271 -6.288 -12.186 605 HA ALA 82 HA ALA 82 3.527 -7.789 -12.835 606 HB1 ALA 82 1HB ALA 82 4.269 -5.808 -12.096 607 HB2 ALA 82 2HB ALA 82 2.902 -5.591 -11.002 608 HB3 ALA 82 3HB ALA 82 4.274 -6.585 -10.512 609 H ARG 83 H ARG 83 1.182 -8.220 -10.310 610 HA ARG 83 HA ARG 83 2.694 -9.822 -8.557 611 HE ARG 83 HE ARG 83 -1.502 -11.708 -5.090 612 HB2 ARG 83 1HB ARG 83 0.522 -8.784 -7.973 613 HB3 ARG 83 2HB ARG 83 -0.285 -9.902 -9.064 614 HG2 ARG 83 1HG ARG 83 -0.019 -11.686 -7.661 615 HG3 ARG 83 2HG ARG 83 1.433 -11.018 -6.911 616 HD2 ARG 83 1HD ARG 83 0.216 -10.202 -5.244 617 HD3 ARG 83 2HD ARG 83 -0.743 -9.262 -6.387 618 HH11 ARG 83 1HH1 ARG 83 -2.004 -9.677 -7.873 619 HH12 ARG 83 2HH1 ARG 83 -3.598 -10.278 -8.186 620 HH21 ARG 83 1HH2 ARG 83 -3.600 -12.507 -5.492 621 HH22 ARG 83 2HH2 ARG 83 -4.506 -11.887 -6.831 622 H CYS 84 H CYS 84 1.206 -10.482 -11.603 623 HA CYS 84 HA CYS 84 0.991 -13.303 -11.337 624 HG CYS 84 HG CYS 84 0.550 -14.910 -13.289 625 HB2 CYS 84 1HB CYS 84 -0.227 -11.911 -13.034 626 HB3 CYS 84 2HB CYS 84 1.297 -11.715 -13.891 627 H MET 85 H MET 85 3.607 -11.160 -11.995 628 HA MET 85 HA MET 85 5.290 -13.122 -13.258 629 HB2 MET 85 1HB MET 85 5.968 -10.426 -12.070 630 HB3 MET 85 2HB MET 85 7.053 -11.408 -13.044 631 HG2 MET 85 1HG MET 85 4.405 -10.387 -14.032 632 HG3 MET 85 2HG MET 85 5.927 -9.526 -14.246 633 HE1 MET 85 3HE MET 85 5.078 -9.680 -16.998 634 HE2 MET 85 1HE MET 85 6.745 -9.453 -16.467 635 HE3 MET 85 2HE MET 85 6.378 -10.600 -17.756 636 H LYS 86 H LYS 86 5.181 -11.563 -10.064 637 HA LYS 86 HA LYS 86 6.211 -12.075 -8.089 638 HB2 LYS 86 1HB LYS 86 4.778 -14.362 -9.063 639 HB3 LYS 86 2HB LYS 86 6.196 -14.905 -8.176 640 HG2 LYS 86 1HG LYS 86 4.027 -13.082 -7.157 641 HG3 LYS 86 2HG LYS 86 4.307 -14.762 -6.691 642 HD2 LYS 86 1HD LYS 86 6.179 -12.442 -6.214 643 HD3 LYS 86 2HD LYS 86 5.177 -13.240 -4.999 644 HE2 LYS 86 1HE LYS 86 6.634 -15.277 -6.263 645 HE3 LYS 86 2HE LYS 86 7.779 -13.965 -5.987 646 HZ1 LYS 86 3HZ LYS 86 6.860 -15.813 -4.141 647 HZ2 LYS 86 1HZ LYS 86 6.167 -14.334 -3.698 648 HZ3 LYS 86 2HZ LYS 86 7.846 -14.470 -3.847 649 H ASP 87 H ASP 87 7.949 -11.884 -10.459 650 HA ASP 87 HA ASP 87 9.987 -13.883 -10.185 651 HB2 ASP 87 1HB ASP 87 9.708 -12.851 -12.337 652 HB3 ASP 87 2HB ASP 87 9.912 -11.242 -11.651 653 H ASP 88 H ASP 88 10.358 -10.358 -9.878 654 HA ASP 88 HA ASP 88 11.670 -10.702 -7.297 655 HB2 ASP 88 1HB ASP 88 13.020 -9.646 -9.772 656 HB3 ASP 88 2HB ASP 88 13.556 -9.173 -8.163 657 H SER 89 H SER 89 12.527 -8.324 -6.663 658 HA SER 89 HA SER 89 10.124 -6.700 -6.676 659 HG SER 89 HG SER 89 13.337 -5.417 -4.723 660 HB2 SER 89 1HB SER 89 11.249 -5.373 -4.962 661 HB3 SER 89 2HB SER 89 11.367 -7.088 -4.570 Start of MODEL 23 1 HA MET 1 HA MET 1 1.856 -0.454 -0.663 2 H1 MET 1 H MET 1 0.736 -2.661 0.897 3 HB2 MET 1 1HB MET 1 1.778 -1.119 2.260 4 HB3 MET 1 2HB MET 1 2.982 0.007 1.647 5 HG2 MET 1 1HG MET 1 0.874 1.128 0.539 6 HG3 MET 1 2HG MET 1 0.036 0.300 1.850 7 HE1 MET 1 3HE MET 1 2.301 2.820 0.584 8 HE2 MET 1 1HE MET 1 2.430 4.041 1.850 9 HE3 MET 1 2HE MET 1 3.573 2.699 1.800 10 H ASP 2 H ASP 2 2.975 -2.114 -2.008 11 HA ASP 2 HA ASP 2 5.507 -2.930 -0.736 12 HB2 ASP 2 1HB ASP 2 3.683 -4.385 -2.580 13 HB3 ASP 2 2HB ASP 2 5.414 -4.610 -2.819 14 H ASP 3 H ASP 3 6.848 -1.309 -1.324 15 HA ASP 3 HA ASP 3 6.768 0.074 -3.774 16 HB2 ASP 3 1HB ASP 3 9.131 -0.279 -1.917 17 HB3 ASP 3 2HB ASP 3 8.942 0.978 -3.137 18 H ILE 4 H ILE 4 8.155 -2.957 -2.867 19 HA ILE 4 HA ILE 4 10.138 -3.193 -4.850 20 HB ILE 4 HB ILE 4 10.089 -4.722 -2.975 21 HG12 ILE 4 1HG1 ILE 4 9.472 -6.650 -5.124 22 HG13 ILE 4 2HG1 ILE 4 10.647 -5.410 -5.547 23 HG21 ILE 4 1HG2 ILE 4 7.674 -4.830 -2.656 24 HG22 ILE 4 2HG2 ILE 4 7.512 -5.767 -4.141 25 HG23 ILE 4 3HG2 ILE 4 8.370 -6.447 -2.758 26 HD11 ILE 4 3HD1 ILE 4 11.975 -6.046 -3.574 27 HD12 ILE 4 1HD1 ILE 4 10.823 -7.341 -3.248 28 HD13 ILE 4 2HD1 ILE 4 11.780 -7.363 -4.730 29 H TYR 5 H TYR 5 6.680 -3.773 -4.890 30 HA TYR 5 HA TYR 5 6.740 -4.993 -7.511 31 HD1 TYR 5 HD1 TYR 5 6.330 -6.985 -7.217 32 HD2 TYR 5 HD2 TYR 5 3.713 -5.647 -4.141 33 HE1 TYR 5 HE1 TYR 5 6.516 -9.176 -6.114 34 HE2 TYR 5 HE2 TYR 5 3.893 -7.833 -3.029 35 HH TYR 5 HH TYR 5 6.215 -9.987 -3.571 36 HB2 TYR 5 1HB TYR 5 4.449 -4.127 -5.739 37 HB3 TYR 5 2HB TYR 5 4.246 -4.929 -7.292 38 H LYS 6 H LYS 6 5.815 -1.893 -6.091 39 HA LYS 6 HA LYS 6 4.724 -0.719 -8.394 40 HB2 LYS 6 1HB LYS 6 6.062 0.478 -5.970 41 HB3 LYS 6 2HB LYS 6 5.337 1.459 -7.237 42 HG2 LYS 6 1HG LYS 6 3.289 1.146 -6.435 43 HG3 LYS 6 2HG LYS 6 3.529 -0.597 -6.288 44 HD2 LYS 6 1HD LYS 6 3.927 -0.451 -4.094 45 HD3 LYS 6 2HD LYS 6 5.036 0.906 -4.306 46 HE2 LYS 6 1HE LYS 6 2.809 2.234 -4.733 47 HE3 LYS 6 2HE LYS 6 2.094 0.906 -3.821 48 HZ1 LYS 6 3HZ LYS 6 2.922 1.688 -1.925 49 HZ2 LYS 6 1HZ LYS 6 3.244 3.126 -2.758 50 HZ3 LYS 6 2HZ LYS 6 4.455 1.958 -2.586 51 H ALA 7 H ALA 7 8.039 -0.765 -7.147 52 HA ALA 7 HA ALA 7 9.127 0.928 -9.143 53 HB1 ALA 7 1HB ALA 7 11.278 -0.462 -8.367 54 HB2 ALA 7 2HB ALA 7 10.578 0.843 -7.409 55 HB3 ALA 7 3HB ALA 7 10.195 -0.836 -7.026 56 H ALA 8 H ALA 8 8.141 -2.344 -9.164 57 HA ALA 8 HA ALA 8 9.888 -3.193 -11.295 58 HB1 ALA 8 1HB ALA 8 7.393 -4.663 -10.579 59 HB2 ALA 8 2HB ALA 8 8.976 -5.288 -11.045 60 HB3 ALA 8 3HB ALA 8 8.732 -4.618 -9.432 61 H VAL 9 H VAL 9 6.488 -2.246 -10.977 62 HA VAL 9 HA VAL 9 5.848 -2.688 -13.720 63 HB VAL 9 HB VAL 9 3.831 -1.243 -13.183 64 HG11 VAL 9 1HG1 VAL 9 3.310 -3.462 -13.066 65 HG12 VAL 9 2HG1 VAL 9 4.556 -3.806 -11.865 66 HG13 VAL 9 3HG1 VAL 9 3.056 -3.015 -11.379 67 HG21 VAL 9 3HG2 VAL 9 3.403 -0.614 -10.929 68 HG22 VAL 9 1HG2 VAL 9 4.841 -1.460 -10.355 69 HG23 VAL 9 2HG2 VAL 9 5.007 -0.005 -11.338 70 H GLU 10 H GLU 10 7.055 0.033 -11.875 71 HA GLU 10 HA GLU 10 6.577 2.015 -13.857 72 HB2 GLU 10 1HB GLU 10 8.070 1.842 -11.306 73 HB3 GLU 10 2HB GLU 10 8.621 3.066 -12.442 74 HG2 GLU 10 1HG GLU 10 5.750 3.103 -12.193 75 HG3 GLU 10 2HG GLU 10 6.531 3.274 -10.623 76 H GLN 11 H GLN 11 9.104 -0.308 -13.307 77 HA GLN 11 HA GLN 11 10.894 0.957 -15.218 78 HB2 GLN 11 1HB GLN 11 12.461 -0.807 -14.645 79 HB3 GLN 11 2HB GLN 11 11.811 -0.086 -13.179 80 HG2 GLN 11 1HG GLN 11 10.408 -1.951 -12.777 81 HG3 GLN 11 2HG GLN 11 10.728 -2.619 -14.377 82 HE21 GLN 11 2HE2 GLN 11 11.422 -4.570 -13.493 83 HE22 GLN 11 1HE2 GLN 11 12.956 -4.729 -12.715 84 H LEU 12 H LEU 12 8.175 -0.546 -15.698 85 HA LEU 12 HA LEU 12 8.832 -2.726 -17.401 86 HG LEU 12 HG LEU 12 6.875 -2.885 -15.304 87 HB2 LEU 12 1HB LEU 12 6.359 -1.092 -16.957 88 HB3 LEU 12 2HB LEU 12 6.429 -2.308 -18.230 89 HD11 LEU 12 1HD1 LEU 12 4.569 -2.086 -15.846 90 HD12 LEU 12 2HD1 LEU 12 4.650 -3.731 -15.216 91 HD13 LEU 12 3HD1 LEU 12 4.415 -3.458 -16.943 92 HD21 LEU 12 3HD2 LEU 12 6.439 -4.695 -17.678 93 HD22 LEU 12 1HD2 LEU 12 6.582 -5.213 -15.998 94 HD23 LEU 12 2HD2 LEU 12 7.958 -4.464 -16.810 95 H THR 13 H THR 13 7.903 -2.662 -19.749 96 HA THR 13 HA THR 13 9.479 -0.740 -21.179 97 HB THR 13 HB THR 13 7.668 -2.155 -22.907 98 HG1 THR 13 HG1 THR 13 8.271 -4.279 -22.302 99 HG21 THR 13 3HG2 THR 13 9.782 -3.102 -23.770 100 HG22 THR 13 1HG2 THR 13 10.637 -2.390 -22.402 101 HG23 THR 13 2HG2 THR 13 9.852 -1.349 -23.590 102 H GLU 14 H GLU 14 8.747 0.812 -22.670 103 HA GLU 14 HA GLU 14 6.704 2.470 -21.886 104 HB2 GLU 14 1HB GLU 14 7.641 2.114 -24.737 105 HB3 GLU 14 2HB GLU 14 6.875 3.542 -24.054 106 HG2 GLU 14 1HG GLU 14 8.874 4.343 -23.573 107 HG3 GLU 14 2HG GLU 14 9.111 3.008 -22.446 108 H GLU 15 H GLU 15 6.575 -0.072 -24.363 109 HA GLU 15 HA GLU 15 3.860 0.356 -25.050 110 HB2 GLU 15 1HB GLU 15 5.601 -2.093 -25.379 111 HB3 GLU 15 2HB GLU 15 4.017 -1.887 -26.112 112 HG2 GLU 15 1HG GLU 15 4.816 -0.021 -27.413 113 HG3 GLU 15 2HG GLU 15 6.386 -0.101 -26.616 114 H GLN 16 H GLN 16 5.466 -1.815 -22.771 115 HA GLN 16 HA GLN 16 3.267 -3.366 -22.037 116 HB2 GLN 16 1HB GLN 16 5.745 -2.541 -20.539 117 HB3 GLN 16 2HB GLN 16 4.538 -3.601 -19.823 118 HG2 GLN 16 1HG GLN 16 6.219 -4.114 -22.260 119 HG3 GLN 16 2HG GLN 16 6.264 -4.962 -20.716 120 HE21 GLN 16 2HE2 GLN 16 5.511 -5.494 -23.721 121 HE22 GLN 16 1HE2 GLN 16 4.118 -6.505 -23.569 122 H LYS 17 H LYS 17 4.449 -0.308 -20.679 123 HA LYS 17 HA LYS 17 2.525 -0.107 -18.628 124 HB2 LYS 17 1HB LYS 17 4.744 1.234 -19.082 125 HB3 LYS 17 2HB LYS 17 3.666 2.331 -19.934 126 HG2 LYS 17 1HG LYS 17 3.549 3.303 -17.906 127 HG3 LYS 17 2HG LYS 17 2.300 2.082 -17.650 128 HD2 LYS 17 1HD LYS 17 4.172 0.592 -16.767 129 HD3 LYS 17 2HD LYS 17 5.162 2.053 -16.726 130 HE2 LYS 17 1HE LYS 17 2.469 2.096 -15.449 131 HE3 LYS 17 2HE LYS 17 3.792 1.278 -14.618 132 HZ1 LYS 17 3HZ LYS 17 4.953 3.582 -15.299 133 HZ2 LYS 17 1HZ LYS 17 4.180 3.323 -13.817 134 HZ3 LYS 17 2HZ LYS 17 3.361 4.107 -15.072 135 H ASN 18 H ASN 18 2.583 1.088 -21.958 136 HA ASN 18 HA ASN 18 0.124 2.506 -21.774 137 HB2 ASN 18 1HB ASN 18 1.889 1.612 -24.026 138 HB3 ASN 18 2HB ASN 18 0.279 2.232 -24.377 139 HD21 ASN 18 2HD2 ASN 18 3.368 3.098 -24.309 140 HD22 ASN 18 1HD2 ASN 18 3.227 4.773 -23.907 141 H GLU 19 H GLU 19 0.961 -0.803 -22.305 142 HA GLU 19 HA GLU 19 -1.377 -1.650 -23.643 143 HB2 GLU 19 1HB GLU 19 0.872 -2.936 -22.230 144 HB3 GLU 19 2HB GLU 19 -0.619 -3.867 -22.265 145 HG2 GLU 19 1HG GLU 19 -0.614 -3.395 -24.788 146 HG3 GLU 19 2HG GLU 19 1.074 -2.946 -24.553 147 H PHE 20 H PHE 20 -0.474 -2.037 -20.211 148 HA PHE 20 HA PHE 20 -3.056 -2.878 -19.408 149 HD1 PHE 20 HD1 PHE 20 -2.824 -0.734 -16.323 150 HD2 PHE 20 HD2 PHE 20 1.009 -1.582 -17.969 151 HE1 PHE 20 HE1 PHE 20 -1.889 1.210 -15.139 152 HE2 PHE 20 HE2 PHE 20 1.950 0.360 -16.787 153 HZ PHE 20 HZ PHE 20 0.501 1.758 -15.369 154 HB2 PHE 20 1HB PHE 20 -2.194 -2.997 -17.263 155 HB3 PHE 20 2HB PHE 20 -0.726 -3.123 -18.226 156 H LYS 21 H LYS 21 -1.503 0.247 -19.648 157 HA LYS 21 HA LYS 21 -3.267 1.761 -18.086 158 HB2 LYS 21 1HB LYS 21 -1.357 2.340 -20.292 159 HB3 LYS 21 2HB LYS 21 -2.548 3.577 -19.911 160 HG2 LYS 21 1HG LYS 21 -1.777 3.639 -17.608 161 HG3 LYS 21 2HG LYS 21 -0.611 2.358 -17.952 162 HD2 LYS 21 1HD LYS 21 0.746 3.745 -19.194 163 HD3 LYS 21 2HD LYS 21 -0.573 4.845 -19.603 164 HE2 LYS 21 1HE LYS 21 0.903 5.947 -18.062 165 HE3 LYS 21 2HE LYS 21 -0.613 5.590 -17.236 166 HZ1 LYS 21 3HZ LYS 21 0.675 4.693 -15.674 167 HZ2 LYS 21 1HZ LYS 21 2.039 4.648 -16.674 168 HZ3 LYS 21 2HZ LYS 21 0.902 3.398 -16.739 169 H ALA 22 H ALA 22 -3.555 0.494 -21.319 170 HA ALA 22 HA ALA 22 -5.844 2.116 -21.996 171 HB1 ALA 22 1HB ALA 22 -5.218 -0.347 -23.527 172 HB2 ALA 22 2HB ALA 22 -5.669 1.261 -24.097 173 HB3 ALA 22 3HB ALA 22 -4.025 0.953 -23.539 174 H ALA 23 H ALA 23 -5.242 -1.209 -20.958 175 HA ALA 23 HA ALA 23 -7.874 -2.165 -21.247 176 HB1 ALA 23 1HB ALA 23 -6.945 -4.080 -20.612 177 HB2 ALA 23 2HB ALA 23 -5.424 -3.208 -20.414 178 HB3 ALA 23 3HB ALA 23 -6.509 -3.413 -19.039 179 H PHE 24 H PHE 24 -6.249 -0.461 -18.634 180 HA PHE 24 HA PHE 24 -8.097 -0.850 -16.590 181 HD1 PHE 24 HD1 PHE 24 -7.271 -0.235 -14.062 182 HD2 PHE 24 HD2 PHE 24 -7.460 3.410 -16.252 183 HE1 PHE 24 HE1 PHE 24 -8.178 0.905 -12.079 184 HE2 PHE 24 HE2 PHE 24 -8.365 4.556 -14.273 185 HZ PHE 24 HZ PHE 24 -8.725 3.304 -12.183 186 HB2 PHE 24 1HB PHE 24 -5.937 0.182 -16.175 187 HB3 PHE 24 2HB PHE 24 -6.372 1.564 -17.175 188 H ASP 25 H ASP 25 -8.179 1.296 -19.347 189 HA ASP 25 HA ASP 25 -10.282 2.970 -18.458 190 HB2 ASP 25 1HB ASP 25 -8.674 3.411 -20.378 191 HB3 ASP 25 2HB ASP 25 -9.659 2.308 -21.336 192 H ILE 26 H ILE 26 -10.224 0.014 -20.410 193 HA ILE 26 HA ILE 26 -12.991 -0.049 -20.970 194 HB ILE 26 HB ILE 26 -10.941 -2.261 -20.896 195 HG12 ILE 26 1HG1 ILE 26 -11.916 -1.834 -23.489 196 HG13 ILE 26 2HG1 ILE 26 -11.693 -0.224 -22.813 197 HG21 ILE 26 1HG2 ILE 26 -12.859 -3.495 -20.626 198 HG22 ILE 26 2HG2 ILE 26 -13.864 -2.321 -21.475 199 HG23 ILE 26 3HG2 ILE 26 -12.784 -3.378 -22.384 200 HD11 ILE 26 3HD1 ILE 26 -9.488 -2.145 -22.417 201 HD12 ILE 26 1HD1 ILE 26 -9.760 -1.564 -24.059 202 HD13 ILE 26 2HD1 ILE 26 -9.446 -0.415 -22.758 203 H PHE 27 H PHE 27 -11.117 -1.002 -18.207 204 HA PHE 27 HA PHE 27 -13.146 -2.670 -17.049 205 HD1 PHE 27 HD2 PHE 27 -10.588 -3.278 -18.386 206 HD2 PHE 27 HD1 PHE 27 -11.026 -4.348 -14.290 207 HE1 PHE 27 HE2 PHE 27 -9.817 -5.556 -18.903 208 HE2 PHE 27 HE1 PHE 27 -10.254 -6.628 -14.800 209 HZ PHE 27 HZ PHE 27 -9.650 -7.235 -17.109 210 HB2 PHE 27 1HB PHE 27 -10.503 -1.594 -16.152 211 HB3 PHE 27 2HB PHE 27 -11.614 -2.239 -14.949 212 H VAL 28 H VAL 28 -12.028 0.655 -16.596 213 HA VAL 28 HA VAL 28 -13.995 1.164 -14.532 214 HB VAL 28 HB VAL 28 -13.107 3.429 -14.478 215 HG11 VAL 28 1HG1 VAL 28 -10.514 2.511 -14.422 216 HG12 VAL 28 2HG1 VAL 28 -11.673 2.418 -13.094 217 HG13 VAL 28 3HG1 VAL 28 -11.462 1.044 -14.181 218 HG21 VAL 28 3HG2 VAL 28 -11.112 3.936 -15.968 219 HG22 VAL 28 1HG2 VAL 28 -11.622 2.557 -16.942 220 HG23 VAL 28 2HG2 VAL 28 -12.696 3.942 -16.743 221 H LEU 29 H LEU 29 -14.340 0.742 -17.690 222 HA LEU 29 HA LEU 29 -15.589 2.984 -18.742 223 HG LEU 29 HG LEU 29 -14.153 1.539 -20.595 224 HB2 LEU 29 1HB LEU 29 -15.618 0.093 -19.279 225 HB3 LEU 29 2HB LEU 29 -17.026 0.978 -19.863 226 HD11 LEU 29 1HD1 LEU 29 -16.406 0.358 -22.213 227 HD12 LEU 29 2HD1 LEU 29 -15.015 -0.524 -21.582 228 HD13 LEU 29 3HD1 LEU 29 -14.785 0.729 -22.801 229 HD21 LEU 29 3HD2 LEU 29 -14.851 3.547 -21.230 230 HD22 LEU 29 1HD2 LEU 29 -16.500 3.171 -20.731 231 HD23 LEU 29 2HD2 LEU 29 -15.961 2.772 -22.362 232 H GLY 30 H GLY 30 -16.725 0.710 -16.382 233 HA2 GLY 30 1HA GLY 30 -19.500 1.500 -16.634 234 HA3 GLY 30 2HA GLY 30 -18.831 0.397 -15.441 235 H ALA 31 H ALA 31 -16.757 2.328 -14.631 236 HA ALA 31 HA ALA 31 -18.276 3.675 -12.617 237 HB1 ALA 31 1HB ALA 31 -15.354 3.612 -13.306 238 HB2 ALA 31 2HB ALA 31 -15.994 4.638 -12.022 239 HB3 ALA 31 3HB ALA 31 -16.177 2.887 -11.925 240 H GLU 32 H GLU 32 -18.032 6.010 -12.159 241 HA GLU 32 HA GLU 32 -18.185 7.550 -14.660 242 HB2 GLU 32 1HB GLU 32 -19.629 9.086 -13.535 243 HB3 GLU 32 2HB GLU 32 -20.216 7.465 -13.190 244 HG2 GLU 32 1HG GLU 32 -18.728 7.708 -11.053 245 HG3 GLU 32 2HG GLU 32 -18.903 9.431 -11.384 246 H ASP 33 H ASP 33 -16.506 7.224 -11.661 247 HA ASP 33 HA ASP 33 -15.185 9.813 -11.965 248 HB2 ASP 33 1HB ASP 33 -16.031 8.764 -9.725 249 HB3 ASP 33 2HB ASP 33 -14.532 7.841 -9.801 250 H GLY 34 H GLY 34 -14.557 6.375 -12.227 251 HA2 GLY 34 1HA GLY 34 -12.849 5.793 -13.924 252 HA3 GLY 34 2HA GLY 34 -11.835 7.023 -13.182 253 H CYS 35 H CYS 35 -13.782 4.331 -11.889 254 HA CYS 35 HA CYS 35 -11.351 3.092 -10.857 255 HG CYS 35 HG CYS 35 -12.534 5.861 -7.944 256 HB2 CYS 35 1HB CYS 35 -13.689 3.843 -9.089 257 HB3 CYS 35 2HB CYS 35 -12.306 2.876 -8.592 258 H ILE 36 H ILE 36 -12.038 0.985 -9.625 259 HA ILE 36 HA ILE 36 -14.222 -0.297 -11.131 260 HB ILE 36 HB ILE 36 -11.567 -1.544 -10.408 261 HG12 ILE 36 1HG1 ILE 36 -12.387 -1.483 -13.218 262 HG13 ILE 36 2HG1 ILE 36 -12.152 0.120 -12.531 263 HG21 ILE 36 1HG2 ILE 36 -13.124 -3.277 -10.265 264 HG22 ILE 36 2HG2 ILE 36 -14.075 -2.658 -11.614 265 HG23 ILE 36 3HG2 ILE 36 -12.503 -3.400 -11.911 266 HD11 ILE 36 3HD1 ILE 36 -10.023 -0.199 -13.124 267 HD12 ILE 36 1HD1 ILE 36 -9.935 -1.156 -11.645 268 HD13 ILE 36 2HD1 ILE 36 -10.199 -1.952 -13.197 269 H SER 37 H SER 37 -15.759 -1.058 -9.852 270 HA SER 37 HA SER 37 -15.246 -1.394 -7.009 271 HG SER 37 HG SER 37 -18.314 -1.520 -6.103 272 HB2 SER 37 1HB SER 37 -17.256 -0.242 -7.372 273 HB3 SER 37 2HB SER 37 -17.731 -1.299 -8.701 274 H THR 38 H THR 38 -15.409 -3.296 -5.887 275 HA THR 38 HA THR 38 -14.612 -5.661 -7.047 276 HB THR 38 HB THR 38 -14.392 -5.535 -4.710 277 HG1 THR 38 HG1 THR 38 -15.984 -7.304 -4.028 278 HG21 THR 38 3HG2 THR 38 -17.071 -4.412 -4.840 279 HG22 THR 38 1HG2 THR 38 -15.817 -4.198 -3.619 280 HG23 THR 38 2HG2 THR 38 -16.899 -5.589 -3.538 281 H LYS 39 H LYS 39 -17.826 -4.345 -6.772 282 HA LYS 39 HA LYS 39 -19.274 -6.723 -7.281 283 HB2 LYS 39 1HB LYS 39 -20.174 -4.529 -6.360 284 HB3 LYS 39 2HB LYS 39 -20.156 -3.933 -8.015 285 HG2 LYS 39 1HG LYS 39 -21.690 -5.718 -8.675 286 HG3 LYS 39 2HG LYS 39 -21.714 -6.308 -7.012 287 HD2 LYS 39 1HD LYS 39 -23.669 -4.980 -7.324 288 HD3 LYS 39 2HD LYS 39 -22.555 -4.047 -6.322 289 HE2 LYS 39 1HE LYS 39 -21.919 -2.682 -8.168 290 HE3 LYS 39 2HE LYS 39 -22.760 -3.729 -9.310 291 HZ1 LYS 39 3HZ LYS 39 -24.304 -2.475 -7.155 292 HZ2 LYS 39 1HZ LYS 39 -24.787 -2.901 -8.720 293 HZ3 LYS 39 2HZ LYS 39 -23.840 -1.521 -8.473 294 H GLU 40 H GLU 40 -18.236 -4.075 -9.421 295 HA GLU 40 HA GLU 40 -19.200 -5.383 -11.780 296 HB2 GLU 40 1HB GLU 40 -17.191 -3.139 -11.696 297 HB3 GLU 40 2HB GLU 40 -18.318 -3.537 -12.985 298 HG2 GLU 40 1HG GLU 40 -19.119 -2.548 -10.259 299 HG3 GLU 40 2HG GLU 40 -18.955 -1.534 -11.692 300 H LEU 41 H LEU 41 -16.195 -5.283 -10.026 301 HA LEU 41 HA LEU 41 -14.451 -6.174 -12.037 302 HG LEU 41 HG LEU 41 -12.812 -8.160 -9.780 303 HB2 LEU 41 1HB LEU 41 -13.608 -5.271 -9.976 304 HB3 LEU 41 2HB LEU 41 -14.379 -6.556 -9.049 305 HD11 LEU 41 1HD1 LEU 41 -10.960 -7.024 -11.423 306 HD12 LEU 41 2HD1 LEU 41 -12.457 -6.305 -12.014 307 HD13 LEU 41 3HD1 LEU 41 -12.286 -8.059 -11.952 308 HD21 LEU 41 3HD2 LEU 41 -10.595 -7.014 -9.294 309 HD22 LEU 41 1HD2 LEU 41 -11.848 -6.882 -8.059 310 HD23 LEU 41 2HD2 LEU 41 -11.524 -5.522 -9.135 311 H GLY 42 H GLY 42 -16.762 -7.861 -10.045 312 HA2 GLY 42 1HA GLY 42 -15.718 -10.485 -10.587 313 HA3 GLY 42 2HA GLY 42 -17.261 -10.109 -9.833 314 H LYS 43 H LYS 43 -18.176 -8.414 -12.005 315 HA LYS 43 HA LYS 43 -19.445 -10.370 -13.589 316 HB2 LYS 43 1HB LYS 43 -19.492 -7.481 -13.316 317 HB3 LYS 43 2HB LYS 43 -19.625 -7.967 -15.001 318 HG2 LYS 43 1HG LYS 43 -21.420 -9.629 -14.036 319 HG3 LYS 43 2HG LYS 43 -21.486 -8.441 -12.732 320 HD2 LYS 43 1HD LYS 43 -22.821 -7.189 -13.995 321 HD3 LYS 43 2HD LYS 43 -21.498 -6.989 -15.146 322 HE2 LYS 43 1HE LYS 43 -23.358 -7.837 -16.359 323 HE3 LYS 43 2HE LYS 43 -22.206 -9.160 -16.186 324 HZ1 LYS 43 3HZ LYS 43 -24.426 -9.935 -15.744 325 HZ2 LYS 43 1HZ LYS 43 -24.658 -8.746 -14.564 326 HZ3 LYS 43 2HZ LYS 43 -23.530 -9.980 -14.310 327 H VAL 44 H VAL 44 -16.811 -8.099 -14.320 328 HA VAL 44 HA VAL 44 -16.432 -8.726 -16.998 329 HB VAL 44 HB VAL 44 -14.335 -7.966 -14.959 330 HG11 VAL 44 1HG1 VAL 44 -14.214 -8.464 -17.862 331 HG12 VAL 44 2HG1 VAL 44 -13.416 -6.995 -17.297 332 HG13 VAL 44 3HG1 VAL 44 -12.949 -8.563 -16.637 333 HG21 VAL 44 3HG2 VAL 44 -16.474 -6.492 -15.654 334 HG22 VAL 44 1HG2 VAL 44 -14.907 -5.797 -15.239 335 HG23 VAL 44 2HG2 VAL 44 -15.354 -6.018 -16.931 336 H MET 45 H MET 45 -15.484 -10.473 -14.129 337 HA MET 45 HA MET 45 -13.499 -12.133 -15.099 338 HB2 MET 45 1HB MET 45 -15.695 -13.024 -13.229 339 HB3 MET 45 2HB MET 45 -14.056 -13.654 -13.329 340 HG2 MET 45 1HG MET 45 -14.917 -10.951 -12.335 341 HG3 MET 45 2HG MET 45 -14.219 -12.270 -11.398 342 HE1 MET 45 3HE MET 45 -12.159 -13.463 -12.719 343 HE2 MET 45 1HE MET 45 -11.777 -12.700 -14.263 344 HE3 MET 45 2HE MET 45 -10.669 -12.536 -12.900 345 H ARG 46 H ARG 46 -16.926 -12.196 -15.710 346 HA ARG 46 HA ARG 46 -17.194 -14.823 -16.649 347 HE ARG 46 HE ARG 46 -21.291 -13.185 -14.087 348 HB2 ARG 46 1HB ARG 46 -18.686 -12.333 -17.499 349 HB3 ARG 46 2HB ARG 46 -19.187 -13.982 -17.848 350 HG2 ARG 46 1HG ARG 46 -18.893 -14.064 -15.144 351 HG3 ARG 46 2HG ARG 46 -19.457 -12.411 -15.399 352 HD2 ARG 46 1HD ARG 46 -21.231 -13.528 -16.929 353 HD3 ARG 46 2HD ARG 46 -20.811 -14.998 -16.051 354 HH11 ARG 46 1HH1 ARG 46 -23.092 -14.302 -16.849 355 HH12 ARG 46 2HH1 ARG 46 -24.638 -14.050 -16.107 356 HH21 ARG 46 1HH2 ARG 46 -23.320 -12.849 -13.099 357 HH22 ARG 46 2HH2 ARG 46 -24.766 -13.222 -13.974 358 H MET 47 H MET 47 -16.256 -11.842 -18.306 359 HA MET 47 HA MET 47 -16.167 -12.940 -20.910 360 HB2 MET 47 1HB MET 47 -14.575 -10.606 -19.839 361 HB3 MET 47 2HB MET 47 -14.940 -10.942 -21.526 362 HG2 MET 47 1HG MET 47 -17.099 -10.473 -19.501 363 HG3 MET 47 2HG MET 47 -16.308 -9.149 -20.353 364 HE1 MET 47 3HE MET 47 -17.431 -8.306 -22.841 365 HE2 MET 47 1HE MET 47 -19.130 -8.726 -22.624 366 HE3 MET 47 2HE MET 47 -18.176 -8.173 -21.247 367 H LEU 48 H LEU 48 -13.895 -12.879 -18.261 368 HA LEU 48 HA LEU 48 -11.622 -13.666 -19.813 369 HG LEU 48 HG LEU 48 -10.278 -12.007 -16.794 370 HB2 LEU 48 1HB LEU 48 -12.220 -13.525 -16.880 371 HB3 LEU 48 2HB LEU 48 -10.734 -14.268 -17.467 372 HD11 LEU 48 1HD1 LEU 48 -10.369 -11.966 -19.796 373 HD12 LEU 48 2HD1 LEU 48 -9.244 -12.984 -18.897 374 HD13 LEU 48 3HD1 LEU 48 -9.180 -11.230 -18.720 375 HD21 LEU 48 3HD2 LEU 48 -11.384 -10.094 -17.760 376 HD22 LEU 48 1HD2 LEU 48 -12.588 -11.159 -17.033 377 HD23 LEU 48 2HD2 LEU 48 -12.372 -11.138 -18.784 378 H GLY 49 H GLY 49 -14.251 -15.310 -18.274 379 HA2 GLY 49 1HA GLY 49 -14.757 -17.555 -19.062 380 HA3 GLY 49 2HA GLY 49 -13.030 -17.879 -19.063 381 H GLN 50 H GLN 50 -14.091 -16.071 -16.388 382 HA GLN 50 HA GLN 50 -14.351 -18.491 -14.741 383 HB2 GLN 50 1HB GLN 50 -12.625 -16.085 -14.140 384 HB3 GLN 50 2HB GLN 50 -12.994 -17.354 -12.979 385 HG2 GLN 50 1HG GLN 50 -11.773 -18.958 -14.180 386 HG3 GLN 50 2HG GLN 50 -11.695 -17.940 -15.617 387 HE21 GLN 50 2HE2 GLN 50 -10.993 -17.348 -12.191 388 HE22 GLN 50 1HE2 GLN 50 -9.376 -16.796 -12.440 389 H ASN 51 H ASN 51 -15.689 -18.323 -12.948 390 HA ASN 51 HA ASN 51 -17.045 -15.764 -12.507 391 HB2 ASN 51 1HB ASN 51 -18.654 -18.299 -12.620 392 HB3 ASN 51 2HB ASN 51 -19.207 -16.632 -12.747 393 HD21 ASN 51 2HD2 ASN 51 -19.562 -15.838 -14.699 394 HD22 ASN 51 1HD2 ASN 51 -19.044 -16.552 -16.185 395 HA PRO 52 HA PRO 52 -15.793 -18.010 -8.604 396 HB2 PRO 52 1HB PRO 52 -14.426 -15.923 -7.533 397 HB3 PRO 52 2HB PRO 52 -13.680 -17.108 -8.613 398 HG2 PRO 52 1HG PRO 52 -14.712 -14.366 -9.231 399 HG3 PRO 52 2HG PRO 52 -13.218 -15.149 -9.778 400 HD2 PRO 52 1HD PRO 52 -15.426 -14.977 -11.335 401 HD3 PRO 52 2HD PRO 52 -14.298 -16.345 -11.426 402 H THR 53 H THR 53 -16.215 -17.259 -6.331 403 HA THR 53 HA THR 53 -18.832 -16.373 -6.031 404 HB THR 53 HB THR 53 -17.796 -15.745 -3.602 405 HG1 THR 53 HG1 THR 53 -16.141 -17.872 -4.465 406 HG21 THR 53 3HG2 THR 53 -19.540 -17.452 -4.221 407 HG22 THR 53 1HG2 THR 53 -18.477 -17.920 -2.895 408 HG23 THR 53 2HG2 THR 53 -18.224 -18.590 -4.507 409 HA PRO 54 HA PRO 54 -18.781 -11.986 -6.160 410 HB2 PRO 54 1HB PRO 54 -20.506 -11.329 -4.169 411 HB3 PRO 54 2HB PRO 54 -21.031 -12.044 -5.698 412 HG2 PRO 54 1HG PRO 54 -20.587 -13.359 -3.045 413 HG3 PRO 54 2HG PRO 54 -21.910 -13.593 -4.203 414 HD2 PRO 54 1HD PRO 54 -19.827 -15.312 -4.004 415 HD3 PRO 54 2HD PRO 54 -20.661 -14.995 -5.539 416 H GLU 55 H GLU 55 -18.634 -13.178 -2.799 417 HA GLU 55 HA GLU 55 -17.405 -10.875 -1.736 418 HB2 GLU 55 1HB GLU 55 -17.136 -13.678 -0.651 419 HB3 GLU 55 2HB GLU 55 -17.023 -12.168 0.242 420 HG2 GLU 55 1HG GLU 55 -19.147 -12.550 0.787 421 HG3 GLU 55 2HG GLU 55 -19.516 -11.989 -0.842 422 H GLU 56 H GLU 56 -16.147 -13.664 -3.388 423 HA GLU 56 HA GLU 56 -13.481 -13.595 -2.570 424 HB2 GLU 56 1HB GLU 56 -14.603 -15.362 -3.986 425 HB3 GLU 56 2HB GLU 56 -14.426 -14.274 -5.355 426 HG2 GLU 56 1HG GLU 56 -12.057 -14.377 -5.238 427 HG3 GLU 56 2HG GLU 56 -12.110 -15.221 -3.692 428 H LEU 57 H LEU 57 -15.212 -11.638 -4.901 429 HA LEU 57 HA LEU 57 -13.040 -10.492 -6.242 430 HG LEU 57 HG LEU 57 -16.075 -9.593 -8.141 431 HB2 LEU 57 1HB LEU 57 -15.846 -9.621 -5.699 432 HB3 LEU 57 2HB LEU 57 -14.715 -8.508 -6.467 433 HD11 LEU 57 1HD1 LEU 57 -13.241 -9.661 -8.057 434 HD12 LEU 57 2HD1 LEU 57 -14.299 -9.521 -9.461 435 HD13 LEU 57 3HD1 LEU 57 -13.800 -11.112 -8.888 436 HD21 LEU 57 3HD2 LEU 57 -16.017 -12.005 -8.480 437 HD22 LEU 57 1HD2 LEU 57 -16.643 -11.611 -6.879 438 HD23 LEU 57 2HD2 LEU 57 -14.988 -12.192 -7.060 439 H GLN 58 H GLN 58 -14.896 -9.185 -3.490 440 HA GLN 58 HA GLN 58 -13.181 -6.978 -3.068 441 HB2 GLN 58 1HB GLN 58 -15.367 -6.803 -2.189 442 HB3 GLN 58 2HB GLN 58 -15.243 -8.345 -1.353 443 HG2 GLN 58 1HG GLN 58 -14.141 -7.462 0.413 444 HG3 GLN 58 2HG GLN 58 -13.318 -6.248 -0.565 445 HE21 GLN 58 2HE2 GLN 58 -14.249 -4.269 -0.869 446 HE22 GLN 58 1HE2 GLN 58 -15.669 -3.749 -0.035 447 H GLU 59 H GLU 59 -13.024 -10.297 -2.118 448 HA GLU 59 HA GLU 59 -11.385 -10.115 0.143 449 HB2 GLU 59 1HB GLU 59 -12.197 -12.191 -1.741 450 HB3 GLU 59 2HB GLU 59 -10.569 -12.434 -1.125 451 HG2 GLU 59 1HG GLU 59 -12.926 -11.932 0.664 452 HG3 GLU 59 2HG GLU 59 -12.431 -13.545 0.156 453 H MET 60 H MET 60 -10.469 -10.619 -3.265 454 HA MET 60 HA MET 60 -7.679 -10.461 -2.773 455 HB2 MET 60 1HB MET 60 -8.703 -11.566 -4.757 456 HB3 MET 60 2HB MET 60 -9.148 -9.979 -5.371 457 HG2 MET 60 1HG MET 60 -6.866 -9.357 -5.637 458 HG3 MET 60 2HG MET 60 -6.317 -10.797 -4.783 459 HE1 MET 60 3HE MET 60 -5.661 -13.253 -6.737 460 HE2 MET 60 1HE MET 60 -6.727 -12.985 -5.358 461 HE3 MET 60 2HE MET 60 -7.379 -13.637 -6.861 462 H ILE 61 H ILE 61 -10.154 -8.099 -3.395 463 HA ILE 61 HA ILE 61 -8.366 -5.972 -4.095 464 HB ILE 61 HB ILE 61 -11.262 -5.945 -3.249 465 HG12 ILE 61 1HG1 ILE 61 -9.944 -5.542 -5.943 466 HG13 ILE 61 2HG1 ILE 61 -10.788 -6.998 -5.428 467 HG21 ILE 61 1HG2 ILE 61 -10.314 -3.833 -2.628 468 HG22 ILE 61 2HG2 ILE 61 -9.505 -3.686 -4.187 469 HG23 ILE 61 3HG2 ILE 61 -11.264 -3.605 -4.096 470 HD11 ILE 61 3HD1 ILE 61 -11.838 -4.677 -6.663 471 HD12 ILE 61 1HD1 ILE 61 -12.678 -6.152 -6.188 472 HD13 ILE 61 2HD1 ILE 61 -12.539 -4.811 -5.050 473 H ASP 62 H ASP 62 -9.513 -7.351 -1.155 474 HA ASP 62 HA ASP 62 -9.211 -5.118 0.551 475 HB2 ASP 62 1HB ASP 62 -10.448 -7.212 1.131 476 HB3 ASP 62 2HB ASP 62 -8.898 -8.037 1.276 477 H GLU 63 H GLU 63 -7.020 -7.812 -0.223 478 HA GLU 63 HA GLU 63 -4.880 -6.814 1.369 479 HB2 GLU 63 1HB GLU 63 -5.408 -9.128 -0.255 480 HB3 GLU 63 2HB GLU 63 -3.823 -8.479 -0.649 481 HG2 GLU 63 1HG GLU 63 -2.991 -9.461 1.142 482 HG3 GLU 63 2HG GLU 63 -4.036 -8.471 2.160 483 H VAL 64 H VAL 64 -6.015 -6.161 -1.818 484 HA VAL 64 HA VAL 64 -3.529 -5.060 -2.781 485 HB VAL 64 HB VAL 64 -6.325 -4.951 -3.915 486 HG11 VAL 64 1HG1 VAL 64 -5.612 -3.299 -5.221 487 HG12 VAL 64 2HG1 VAL 64 -3.968 -3.432 -4.592 488 HG13 VAL 64 3HG1 VAL 64 -4.481 -4.444 -5.943 489 HG21 VAL 64 3HG2 VAL 64 -4.804 -7.121 -3.768 490 HG22 VAL 64 1HG2 VAL 64 -5.808 -6.777 -5.176 491 HG23 VAL 64 2HG2 VAL 64 -4.084 -6.406 -5.211 492 H ASP 65 H ASP 65 -6.701 -3.738 -1.853 493 HA ASP 65 HA ASP 65 -5.999 -1.028 -2.169 494 HB2 ASP 65 1HB ASP 65 -8.335 -2.182 -1.840 495 HB3 ASP 65 2HB ASP 65 -8.021 -1.888 -0.132 496 H GLU 66 H GLU 66 -4.269 -0.208 -1.158 497 HA GLU 66 HA GLU 66 -3.382 -1.044 1.408 498 HB2 GLU 66 1HB GLU 66 -1.806 0.847 1.242 499 HB3 GLU 66 2HB GLU 66 -1.814 -0.143 -0.211 500 HG2 GLU 66 1HG GLU 66 -3.582 1.638 -1.006 501 HG3 GLU 66 2HG GLU 66 -2.770 2.638 0.198 502 H ASP 67 H ASP 67 -5.442 1.541 0.263 503 HA ASP 67 HA ASP 67 -5.617 2.685 2.949 504 HB2 ASP 67 1HB ASP 67 -7.054 4.417 1.768 505 HB3 ASP 67 2HB ASP 67 -5.362 4.356 1.282 506 H GLY 68 H GLY 68 -7.136 0.352 1.113 507 HA2 GLY 68 1HA GLY 68 -9.126 -0.775 1.310 508 HA3 GLY 68 2HA GLY 68 -9.123 -0.215 2.975 509 H SER 69 H SER 69 -9.367 1.651 -0.032 510 HA SER 69 HA SER 69 -11.501 3.230 1.001 511 HG SER 69 HG SER 69 -10.171 3.411 -2.835 512 HB2 SER 69 1HB SER 69 -11.570 4.175 -1.324 513 HB3 SER 69 2HB SER 69 -9.975 4.231 -0.573 514 H GLY 70 H GLY 70 -11.347 0.233 -0.645 515 HA2 GLY 70 1HA GLY 70 -13.286 -1.185 -0.693 516 HA3 GLY 70 2HA GLY 70 -14.281 0.250 -0.888 517 H THR 71 H THR 71 -11.760 0.818 -2.842 518 HA THR 71 HA THR 71 -12.683 -0.793 -5.094 519 HB THR 71 HB THR 71 -12.536 1.535 -6.409 520 HG1 THR 71 HG1 THR 71 -12.626 3.157 -5.064 521 HG21 THR 71 3HG2 THR 71 -14.486 0.478 -6.860 522 HG22 THR 71 1HG2 THR 71 -15.145 1.648 -5.718 523 HG23 THR 71 2HG2 THR 71 -14.747 0.016 -5.179 524 H VAL 72 H VAL 72 -11.234 -0.772 -6.906 525 HA VAL 72 HA VAL 72 -8.483 -0.125 -6.109 526 HB VAL 72 HB VAL 72 -9.638 -2.131 -8.016 527 HG11 VAL 72 1HG1 VAL 72 -7.252 -2.603 -8.701 528 HG12 VAL 72 2HG1 VAL 72 -7.970 -1.136 -9.370 529 HG13 VAL 72 3HG1 VAL 72 -6.838 -1.030 -8.021 530 HG21 VAL 72 3HG2 VAL 72 -9.193 -3.470 -6.298 531 HG22 VAL 72 1HG2 VAL 72 -7.477 -3.148 -6.549 532 HG23 VAL 72 2HG2 VAL 72 -8.403 -2.158 -5.422 533 H ASP 73 H ASP 73 -7.387 1.444 -7.092 534 HA ASP 73 HA ASP 73 -8.608 2.751 -9.412 535 HB2 ASP 73 1HB ASP 73 -6.264 3.802 -7.839 536 HB3 ASP 73 2HB ASP 73 -7.408 4.700 -8.833 537 H PHE 74 H PHE 74 -6.484 4.001 -10.558 538 HA PHE 74 HA PHE 74 -5.452 2.078 -12.286 539 HD1 PHE 74 HD1 PHE 74 -3.765 1.925 -13.694 540 HD2 PHE 74 HD2 PHE 74 -5.433 5.790 -14.321 541 HE1 PHE 74 HE1 PHE 74 -3.613 1.592 -16.127 542 HE2 PHE 74 HE2 PHE 74 -5.285 5.463 -16.755 543 HZ PHE 74 HZ PHE 74 -4.375 3.362 -17.661 544 HB2 PHE 74 1HB PHE 74 -5.450 4.836 -12.171 545 HB3 PHE 74 2HB PHE 74 -3.743 4.436 -12.010 546 H ASP 75 H ASP 75 -3.778 3.797 -9.651 547 HA ASP 75 HA ASP 75 -1.349 2.410 -9.863 548 HB2 ASP 75 1HB ASP 75 -2.671 4.007 -7.702 549 HB3 ASP 75 2HB ASP 75 -1.213 3.093 -7.325 550 H GLU 76 H GLU 76 -3.975 1.934 -7.491 551 HA GLU 76 HA GLU 76 -2.971 -0.320 -6.242 552 HB2 GLU 76 1HB GLU 76 -5.608 0.938 -6.528 553 HB3 GLU 76 2HB GLU 76 -5.672 -0.790 -6.211 554 HG2 GLU 76 1HG GLU 76 -4.439 -0.540 -4.187 555 HG3 GLU 76 2HG GLU 76 -4.099 1.153 -4.541 556 H TRP 77 H TRP 77 -4.691 -0.039 -9.284 557 HA TRP 77 HA TRP 77 -5.117 -2.845 -9.620 558 HD1 TRP 77 HD1 TRP 77 -7.862 -3.197 -11.690 559 HE1 TRP 77 HE1 TRP 77 -7.615 -4.701 -13.765 560 HE3 TRP 77 HE3 TRP 77 -3.221 -1.702 -13.230 561 HZ2 TRP 77 HZ2 TRP 77 -5.706 -5.189 -15.786 562 HZ3 TRP 77 HZ3 TRP 77 -2.256 -2.738 -15.242 563 HH2 TRP 77 HH2 TRP 77 -3.474 -4.445 -16.492 564 HB2 TRP 77 1HB TRP 77 -6.533 -1.178 -10.742 565 HB3 TRP 77 2HB TRP 77 -5.143 -0.616 -11.667 566 H LEU 78 H LEU 78 -2.539 -0.629 -10.351 567 HA LEU 78 HA LEU 78 -1.193 -2.192 -12.286 568 HG LEU 78 HG LEU 78 -0.750 -0.310 -13.423 569 HB2 LEU 78 1HB LEU 78 -0.718 0.231 -10.785 570 HB3 LEU 78 2HB LEU 78 0.748 -0.738 -10.913 571 HD11 LEU 78 1HD1 LEU 78 -0.471 1.890 -11.830 572 HD12 LEU 78 2HD1 LEU 78 -0.563 1.911 -13.591 573 HD13 LEU 78 3HD1 LEU 78 1.008 1.936 -12.791 574 HD21 LEU 78 3HD2 LEU 78 1.747 -1.246 -12.668 575 HD22 LEU 78 1HD2 LEU 78 2.068 0.353 -13.341 576 HD23 LEU 78 2HD2 LEU 78 1.220 -0.856 -14.306 577 H VAL 79 H VAL 79 -0.898 -1.958 -8.764 578 HA VAL 79 HA VAL 79 1.315 -3.625 -8.421 579 HB VAL 79 HB VAL 79 0.733 -3.794 -6.145 580 HG11 VAL 79 1HG1 VAL 79 0.356 -1.559 -5.503 581 HG12 VAL 79 2HG1 VAL 79 1.141 -1.468 -7.081 582 HG13 VAL 79 3HG1 VAL 79 -0.601 -1.222 -6.946 583 HG21 VAL 79 3HG2 VAL 79 -1.329 -4.565 -5.727 584 HG22 VAL 79 1HG2 VAL 79 -1.807 -2.867 -5.716 585 HG23 VAL 79 2HG2 VAL 79 -1.999 -3.828 -7.183 586 H MET 80 H MET 80 -1.971 -4.373 -9.203 587 HA MET 80 HA MET 80 -2.106 -7.029 -8.316 588 HB2 MET 80 1HB MET 80 -3.899 -5.393 -9.401 589 HB3 MET 80 2HB MET 80 -3.454 -6.266 -10.861 590 HG2 MET 80 1HG MET 80 -4.390 -8.210 -10.158 591 HG3 MET 80 2HG MET 80 -4.090 -7.868 -8.456 592 HE1 MET 80 3HE MET 80 -7.316 -5.444 -10.665 593 HE2 MET 80 1HE MET 80 -5.613 -5.002 -10.535 594 HE3 MET 80 2HE MET 80 -6.093 -6.381 -11.524 595 H MET 81 H MET 81 -1.375 -5.805 -11.589 596 HA MET 81 HA MET 81 -0.619 -8.338 -12.607 597 HB2 MET 81 1HB MET 81 0.394 -6.980 -14.473 598 HB3 MET 81 2HB MET 81 -1.310 -6.674 -14.164 599 HG2 MET 81 1HG MET 81 -0.841 -4.618 -13.092 600 HG3 MET 81 2HG MET 81 0.885 -4.968 -13.032 601 HE1 MET 81 3HE MET 81 -0.802 -4.875 -17.263 602 HE2 MET 81 1HE MET 81 -0.301 -6.284 -16.327 603 HE3 MET 81 2HE MET 81 -1.763 -5.404 -15.881 604 H ALA 82 H ALA 82 1.154 -5.714 -11.087 605 HA ALA 82 HA ALA 82 3.760 -6.357 -11.702 606 HB1 ALA 82 1HB ALA 82 4.352 -4.902 -10.074 607 HB2 ALA 82 2HB ALA 82 2.632 -4.516 -10.118 608 HB3 ALA 82 3HB ALA 82 3.258 -5.613 -8.887 609 H ARG 83 H ARG 83 1.826 -7.622 -8.990 610 HA ARG 83 HA ARG 83 3.803 -9.350 -7.983 611 HE ARG 83 HE ARG 83 1.422 -11.295 -4.432 612 HB2 ARG 83 1HB ARG 83 1.036 -8.765 -7.460 613 HB3 ARG 83 2HB ARG 83 1.284 -10.506 -7.450 614 HG2 ARG 83 1HG ARG 83 2.863 -10.376 -5.710 615 HG3 ARG 83 2HG ARG 83 3.027 -8.628 -5.887 616 HD2 ARG 83 1HD ARG 83 1.560 -8.494 -4.205 617 HD3 ARG 83 2HD ARG 83 0.347 -8.925 -5.409 618 HH11 ARG 83 1HH1 ARG 83 -0.420 -8.589 -3.247 619 HH12 ARG 83 2HH1 ARG 83 -1.232 -9.510 -2.025 620 HH21 ARG 83 1HH2 ARG 83 0.359 -12.518 -2.828 621 HH22 ARG 83 2HH2 ARG 83 -0.788 -11.745 -1.787 622 H CYS 84 H CYS 84 1.663 -9.613 -10.681 623 HA CYS 84 HA CYS 84 1.668 -12.441 -10.929 624 HG CYS 84 HG CYS 84 1.253 -13.369 -13.832 625 HB2 CYS 84 1HB CYS 84 0.103 -10.696 -12.037 626 HB3 CYS 84 2HB CYS 84 1.364 -10.563 -13.257 627 H MET 85 H MET 85 4.037 -10.079 -11.497 628 HA MET 85 HA MET 85 5.438 -11.421 -13.605 629 HB2 MET 85 1HB MET 85 6.236 -9.206 -11.716 630 HB3 MET 85 2HB MET 85 7.290 -9.822 -12.981 631 HG2 MET 85 1HG MET 85 4.546 -8.783 -13.585 632 HG3 MET 85 2HG MET 85 5.942 -7.715 -13.465 633 HE1 MET 85 3HE MET 85 3.984 -8.385 -16.313 634 HE2 MET 85 1HE MET 85 4.970 -7.023 -15.778 635 HE3 MET 85 2HE MET 85 5.353 -7.849 -17.288 636 H LYS 86 H LYS 86 5.329 -11.669 -10.167 637 HA LYS 86 HA LYS 86 7.884 -12.891 -9.805 638 HB2 LYS 86 1HB LYS 86 6.102 -11.785 -8.107 639 HB3 LYS 86 2HB LYS 86 5.714 -13.485 -7.877 640 HG2 LYS 86 1HG LYS 86 7.296 -13.077 -6.241 641 HG3 LYS 86 2HG LYS 86 8.249 -13.794 -7.543 642 HD2 LYS 86 1HD LYS 86 9.283 -11.812 -8.060 643 HD3 LYS 86 2HD LYS 86 7.939 -10.832 -7.470 644 HE2 LYS 86 1HE LYS 86 9.870 -10.607 -6.010 645 HE3 LYS 86 2HE LYS 86 8.544 -11.404 -5.165 646 HZ1 LYS 86 3HZ LYS 86 11.164 -12.382 -5.762 647 HZ2 LYS 86 1HZ LYS 86 9.958 -13.457 -6.264 648 HZ3 LYS 86 2HZ LYS 86 10.028 -12.957 -4.649 649 H ASP 87 H ASP 87 5.106 -13.962 -11.280 650 HA ASP 87 HA ASP 87 5.080 -16.681 -10.410 651 HB2 ASP 87 1HB ASP 87 3.358 -17.007 -11.932 652 HB3 ASP 87 2HB ASP 87 3.214 -15.285 -11.591 653 H ASP 88 H ASP 88 7.013 -14.892 -12.586 654 HA ASP 88 HA ASP 88 8.722 -15.453 -13.978 655 HB2 ASP 88 1HB ASP 88 9.226 -16.883 -11.862 656 HB3 ASP 88 2HB ASP 88 8.705 -18.239 -12.858 657 H SER 89 H SER 89 6.032 -15.804 -14.893 658 HA SER 89 HA SER 89 6.567 -17.515 -17.163 659 HG SER 89 HG SER 89 5.267 -19.915 -14.854 660 HB2 SER 89 1HB SER 89 3.954 -18.072 -15.842 661 HB3 SER 89 2HB SER 89 4.958 -19.125 -16.839 Start of MODEL 24 1 HA MET 1 HA MET 1 2.453 0.740 -1.530 2 H1 MET 1 H MET 1 1.657 0.003 1.105 3 HB2 MET 1 1HB MET 1 3.190 1.667 1.228 4 HB3 MET 1 2HB MET 1 4.083 2.245 -0.172 5 HG2 MET 1 1HG MET 1 1.127 2.414 -0.261 6 HG3 MET 1 2HG MET 1 1.985 3.526 0.803 7 HE1 MET 1 3HE MET 1 2.220 6.330 -1.361 8 HE2 MET 1 1HE MET 1 1.987 5.564 0.211 9 HE3 MET 1 2HE MET 1 3.614 5.757 -0.444 10 H ASP 2 H ASP 2 3.151 -1.959 -0.919 11 HA ASP 2 HA ASP 2 5.780 -2.393 -0.159 12 HB2 ASP 2 1HB ASP 2 4.411 -3.922 -2.371 13 HB3 ASP 2 2HB ASP 2 5.629 -4.510 -1.242 14 H ASP 3 H ASP 3 7.403 -1.158 -0.900 15 HA ASP 3 HA ASP 3 7.581 -0.071 -3.490 16 HB2 ASP 3 1HB ASP 3 9.840 0.558 -2.902 17 HB3 ASP 3 2HB ASP 3 8.803 0.791 -1.497 18 H ILE 4 H ILE 4 8.416 -3.173 -2.215 19 HA ILE 4 HA ILE 4 10.347 -3.992 -4.072 20 HB ILE 4 HB ILE 4 9.986 -5.321 -2.116 21 HG12 ILE 4 1HG1 ILE 4 8.869 -7.285 -3.989 22 HG13 ILE 4 2HG1 ILE 4 10.220 -6.367 -4.646 23 HG21 ILE 4 1HG2 ILE 4 7.538 -6.655 -2.648 24 HG22 ILE 4 2HG2 ILE 4 7.959 -5.635 -1.273 25 HG23 ILE 4 3HG2 ILE 4 7.243 -4.918 -2.716 26 HD11 ILE 4 3HD1 ILE 4 10.359 -7.732 -1.980 27 HD12 ILE 4 1HD1 ILE 4 10.762 -8.550 -3.490 28 HD13 ILE 4 2HD1 ILE 4 11.682 -7.134 -2.981 29 H TYR 5 H TYR 5 6.857 -3.835 -4.270 30 HA TYR 5 HA TYR 5 6.764 -5.310 -6.761 31 HD1 TYR 5 HD2 TYR 5 5.571 -5.881 -3.458 32 HD2 TYR 5 HD1 TYR 5 3.732 -6.647 -7.218 33 HE1 TYR 5 HE2 TYR 5 5.132 -8.199 -2.764 34 HE2 TYR 5 HE1 TYR 5 3.287 -8.967 -6.533 35 HH TYR 5 HH TYR 5 4.610 -10.304 -3.601 36 HB2 TYR 5 1HB TYR 5 4.727 -4.032 -4.975 37 HB3 TYR 5 2HB TYR 5 4.294 -4.440 -6.631 38 H LYS 6 H LYS 6 6.653 -1.981 -5.666 39 HA LYS 6 HA LYS 6 5.776 -0.774 -8.044 40 HB2 LYS 6 1HB LYS 6 7.702 0.420 -6.047 41 HB3 LYS 6 2HB LYS 6 6.630 1.287 -7.140 42 HG2 LYS 6 1HG LYS 6 5.987 -0.181 -4.626 43 HG3 LYS 6 2HG LYS 6 5.513 1.441 -5.135 44 HD2 LYS 6 1HD LYS 6 4.271 0.078 -7.038 45 HD3 LYS 6 2HD LYS 6 4.321 -1.197 -5.818 46 HE2 LYS 6 1HE LYS 6 2.361 -0.220 -5.212 47 HE3 LYS 6 2HE LYS 6 3.461 0.792 -4.276 48 HZ1 LYS 6 3HZ LYS 6 3.017 1.716 -6.970 49 HZ2 LYS 6 1HZ LYS 6 2.988 2.574 -5.512 50 HZ3 LYS 6 2HZ LYS 6 1.622 1.712 -6.014 51 H ALA 7 H ALA 7 8.923 -1.912 -7.024 52 HA ALA 7 HA ALA 7 10.462 -0.603 -9.003 53 HB1 ALA 7 1HB ALA 7 11.796 -1.377 -7.319 54 HB2 ALA 7 2HB ALA 7 10.898 -2.885 -7.148 55 HB3 ALA 7 3HB ALA 7 12.016 -2.673 -8.495 56 H ALA 8 H ALA 8 8.640 -3.594 -8.968 57 HA ALA 8 HA ALA 8 9.728 -4.691 -11.350 58 HB1 ALA 8 1HB ALA 8 8.529 -6.451 -10.730 59 HB2 ALA 8 2HB ALA 8 7.894 -5.501 -9.386 60 HB3 ALA 8 3HB ALA 8 7.026 -5.548 -10.921 61 H VAL 9 H VAL 9 6.849 -2.736 -10.670 62 HA VAL 9 HA VAL 9 5.945 -2.719 -13.381 63 HB VAL 9 HB VAL 9 4.450 -0.855 -12.601 64 HG11 VAL 9 1HG1 VAL 9 3.223 -2.722 -12.397 65 HG12 VAL 9 2HG1 VAL 9 4.526 -3.611 -11.605 66 HG13 VAL 9 3HG1 VAL 9 3.503 -2.522 -10.667 67 HG21 VAL 9 3HG2 VAL 9 5.615 -1.457 -9.887 68 HG22 VAL 9 1HG2 VAL 9 6.025 -0.035 -10.847 69 HG23 VAL 9 2HG2 VAL 9 4.372 -0.270 -10.280 70 H GLU 10 H GLU 10 8.118 -0.772 -11.491 71 HA GLU 10 HA GLU 10 8.113 1.515 -13.187 72 HB2 GLU 10 1HB GLU 10 9.765 0.528 -10.921 73 HB3 GLU 10 2HB GLU 10 10.495 1.723 -11.984 74 HG2 GLU 10 1HG GLU 10 8.052 2.825 -11.525 75 HG3 GLU 10 2HG GLU 10 8.376 2.017 -9.992 76 H GLN 11 H GLN 11 9.788 -1.533 -13.204 77 HA GLN 11 HA GLN 11 11.696 -0.655 -15.212 78 HB2 GLN 11 1HB GLN 11 12.567 -2.953 -15.071 79 HB3 GLN 11 2HB GLN 11 12.474 -2.188 -13.490 80 HG2 GLN 11 1HG GLN 11 10.536 -3.439 -12.910 81 HG3 GLN 11 2HG GLN 11 10.372 -4.053 -14.555 82 HE21 GLN 11 2HE2 GLN 11 12.087 -4.305 -11.555 83 HE22 GLN 11 1HE2 GLN 11 12.907 -5.784 -11.908 84 H LEU 12 H LEU 12 8.592 -1.149 -15.453 85 HA LEU 12 HA LEU 12 8.364 -3.141 -17.483 86 HG LEU 12 HG LEU 12 6.697 -3.071 -15.108 87 HB2 LEU 12 1HB LEU 12 6.551 -0.989 -16.448 88 HB3 LEU 12 2HB LEU 12 6.108 -1.960 -17.851 89 HD11 LEU 12 1HD1 LEU 12 4.213 -3.509 -15.120 90 HD12 LEU 12 2HD1 LEU 12 4.108 -2.387 -16.476 91 HD13 LEU 12 3HD1 LEU 12 4.697 -1.826 -14.912 92 HD21 LEU 12 3HD2 LEU 12 5.548 -4.349 -17.587 93 HD22 LEU 12 1HD2 LEU 12 5.722 -5.123 -16.012 94 HD23 LEU 12 2HD2 LEU 12 7.155 -4.638 -16.918 95 H THR 13 H THR 13 7.119 -2.344 -19.590 96 HA THR 13 HA THR 13 8.928 -0.411 -20.856 97 HB THR 13 HB THR 13 8.817 -2.646 -21.889 98 HG1 THR 13 HG1 THR 13 9.085 -1.653 -23.736 99 HG21 THR 13 3HG2 THR 13 6.100 -2.143 -22.959 100 HG22 THR 13 1HG2 THR 13 6.209 -2.686 -21.285 101 HG23 THR 13 2HG2 THR 13 6.903 -3.666 -22.577 102 H GLU 14 H GLU 14 8.097 1.177 -22.310 103 HA GLU 14 HA GLU 14 5.996 2.692 -21.359 104 HB2 GLU 14 1HB GLU 14 6.883 2.621 -24.245 105 HB3 GLU 14 2HB GLU 14 6.129 3.964 -23.398 106 HG2 GLU 14 1HG GLU 14 8.143 4.003 -21.894 107 HG3 GLU 14 2HG GLU 14 8.893 2.858 -23.004 108 H GLU 15 H GLU 15 5.952 0.051 -23.655 109 HA GLU 15 HA GLU 15 3.354 0.460 -24.676 110 HB2 GLU 15 1HB GLU 15 4.672 -2.232 -24.365 111 HB3 GLU 15 2HB GLU 15 3.517 -1.725 -25.589 112 HG2 GLU 15 1HG GLU 15 5.261 -0.106 -26.405 113 HG3 GLU 15 2HG GLU 15 6.397 -0.916 -25.327 114 H GLN 16 H GLN 16 4.568 -1.324 -21.885 115 HA GLN 16 HA GLN 16 2.175 -2.617 -21.184 116 HB2 GLN 16 1HB GLN 16 4.648 -1.847 -19.676 117 HB3 GLN 16 2HB GLN 16 3.267 -2.512 -18.814 118 HG2 GLN 16 1HG GLN 16 4.310 -3.951 -21.202 119 HG3 GLN 16 2HG GLN 16 5.190 -4.057 -19.678 120 HE21 GLN 16 2HE2 GLN 16 2.068 -4.601 -21.200 121 HE22 GLN 16 1HE2 GLN 16 1.538 -5.826 -20.103 122 H LYS 17 H LYS 17 3.603 0.362 -19.839 123 HA LYS 17 HA LYS 17 1.457 1.038 -18.183 124 HB2 LYS 17 1HB LYS 17 3.898 2.276 -19.101 125 HB3 LYS 17 2HB LYS 17 2.594 3.456 -19.055 126 HG2 LYS 17 1HG LYS 17 3.773 3.474 -16.962 127 HG3 LYS 17 2HG LYS 17 2.149 2.830 -16.713 128 HD2 LYS 17 1HD LYS 17 3.458 1.350 -15.506 129 HD3 LYS 17 2HD LYS 17 3.290 0.522 -17.056 130 HE2 LYS 17 1HE LYS 17 5.599 2.362 -16.597 131 HE3 LYS 17 2HE LYS 17 5.633 0.734 -15.921 132 HZ1 LYS 17 3HZ LYS 17 4.968 0.091 -18.344 133 HZ2 LYS 17 1HZ LYS 17 6.586 0.388 -17.951 134 HZ3 LYS 17 2HZ LYS 17 5.673 1.580 -18.728 135 H ASN 18 H ASN 18 2.077 1.779 -21.574 136 HA ASN 18 HA ASN 18 -0.061 3.599 -21.914 137 HB2 ASN 18 1HB ASN 18 1.686 2.008 -23.745 138 HB3 ASN 18 2HB ASN 18 0.232 2.752 -24.404 139 HD21 ASN 18 2HD2 ASN 18 3.111 3.287 -24.838 140 HD22 ASN 18 1HD2 ASN 18 3.312 4.973 -24.517 141 H GLU 19 H GLU 19 0.203 0.099 -22.258 142 HA GLU 19 HA GLU 19 -2.377 -0.283 -23.387 143 HB2 GLU 19 1HB GLU 19 -0.302 -2.046 -22.166 144 HB3 GLU 19 2HB GLU 19 -1.930 -2.683 -22.357 145 HG2 GLU 19 1HG GLU 19 -1.753 -1.955 -24.789 146 HG3 GLU 19 2HG GLU 19 -0.028 -1.759 -24.481 147 H PHE 20 H PHE 20 -1.111 -0.414 -20.086 148 HA PHE 20 HA PHE 20 -3.497 -1.296 -18.860 149 HD1 PHE 20 HD2 PHE 20 -2.330 -2.954 -18.795 150 HD2 PHE 20 HD1 PHE 20 0.632 -0.721 -16.708 151 HE1 PHE 20 HE2 PHE 20 -0.802 -4.878 -18.913 152 HE2 PHE 20 HE1 PHE 20 2.166 -2.641 -16.824 153 HZ PHE 20 HZ PHE 20 1.450 -4.724 -17.926 154 HB2 PHE 20 1HB PHE 20 -1.289 0.363 -17.626 155 HB3 PHE 20 2HB PHE 20 -2.466 -0.624 -16.765 156 H LYS 21 H LYS 21 -2.076 1.960 -19.121 157 HA LYS 21 HA LYS 21 -4.105 3.374 -17.854 158 HB2 LYS 21 1HB LYS 21 -1.774 4.129 -18.792 159 HB3 LYS 21 2HB LYS 21 -2.702 4.545 -20.227 160 HG2 LYS 21 1HG LYS 21 -4.227 5.780 -18.473 161 HG3 LYS 21 2HG LYS 21 -2.742 5.765 -17.519 162 HD2 LYS 21 1HD LYS 21 -1.635 6.677 -19.675 163 HD3 LYS 21 2HD LYS 21 -3.284 7.081 -20.156 164 HE2 LYS 21 1HE LYS 21 -2.580 9.025 -19.118 165 HE3 LYS 21 2HE LYS 21 -3.427 8.190 -17.817 166 HZ1 LYS 21 3HZ LYS 21 -0.829 9.110 -17.786 167 HZ2 LYS 21 1HZ LYS 21 -0.698 7.426 -17.888 168 HZ3 LYS 21 2HZ LYS 21 -1.576 8.130 -16.626 169 H ALA 22 H ALA 22 -3.947 2.072 -21.085 170 HA ALA 22 HA ALA 22 -6.246 3.535 -22.031 171 HB1 ALA 22 1HB ALA 22 -4.211 2.534 -23.367 172 HB2 ALA 22 2HB ALA 22 -5.246 1.107 -23.431 173 HB3 ALA 22 3HB ALA 22 -5.816 2.640 -24.092 174 H ALA 23 H ALA 23 -5.606 0.048 -21.593 175 HA ALA 23 HA ALA 23 -8.216 -0.840 -21.870 176 HB1 ALA 23 1HB ALA 23 -6.802 -2.389 -19.884 177 HB2 ALA 23 2HB ALA 23 -7.288 -2.830 -21.521 178 HB3 ALA 23 3HB ALA 23 -5.762 -1.989 -21.251 179 H PHE 24 H PHE 24 -6.669 0.693 -19.159 180 HA PHE 24 HA PHE 24 -8.539 -0.081 -17.169 181 HD1 PHE 24 HD2 PHE 24 -7.725 0.280 -14.418 182 HD2 PHE 24 HD1 PHE 24 -7.740 4.055 -16.384 183 HE1 PHE 24 HE2 PHE 24 -8.654 1.326 -12.394 184 HE2 PHE 24 HE1 PHE 24 -8.668 5.107 -14.363 185 HZ PHE 24 HZ PHE 24 -9.128 3.743 -12.365 186 HB2 PHE 24 1HB PHE 24 -6.392 0.706 -16.459 187 HB3 PHE 24 2HB PHE 24 -6.590 2.219 -17.337 188 H ASP 25 H ASP 25 -8.325 2.651 -19.383 189 HA ASP 25 HA ASP 25 -10.355 4.242 -18.309 190 HB2 ASP 25 1HB ASP 25 -8.859 5.100 -20.011 191 HB3 ASP 25 2HB ASP 25 -9.458 3.926 -21.179 192 H ILE 26 H ILE 26 -10.506 1.605 -20.665 193 HA ILE 26 HA ILE 26 -13.266 1.844 -21.229 194 HB ILE 26 HB ILE 26 -11.493 -0.594 -21.432 195 HG12 ILE 26 1HG1 ILE 26 -11.959 0.316 -23.978 196 HG13 ILE 26 2HG1 ILE 26 -11.833 1.820 -23.074 197 HG21 ILE 26 1HG2 ILE 26 -13.849 -1.196 -21.404 198 HG22 ILE 26 2HG2 ILE 26 -14.179 -0.022 -22.677 199 HG23 ILE 26 3HG2 ILE 26 -13.170 -1.428 -23.015 200 HD11 ILE 26 3HD1 ILE 26 -9.648 1.590 -23.487 201 HD12 ILE 26 1HD1 ILE 26 -9.693 0.477 -22.120 202 HD13 ILE 26 2HD1 ILE 26 -9.776 -0.146 -23.768 203 H PHE 27 H PHE 27 -11.457 0.030 -18.809 204 HA PHE 27 HA PHE 27 -13.576 -1.560 -17.862 205 HD1 PHE 27 HD2 PHE 27 -11.128 -2.234 -19.170 206 HD2 PHE 27 HD1 PHE 27 -11.612 -3.551 -15.151 207 HE1 PHE 27 HE2 PHE 27 -10.510 -4.517 -19.847 208 HE2 PHE 27 HE1 PHE 27 -10.994 -5.837 -15.823 209 HZ PHE 27 HZ PHE 27 -10.443 -6.322 -18.173 210 HB2 PHE 27 1HB PHE 27 -10.918 -0.718 -16.820 211 HB3 PHE 27 2HB PHE 27 -12.073 -1.370 -15.662 212 H VAL 28 H VAL 28 -12.264 1.504 -16.603 213 HA VAL 28 HA VAL 28 -14.488 1.784 -14.768 214 HB VAL 28 HB VAL 28 -13.405 3.792 -13.988 215 HG11 VAL 28 1HG1 VAL 28 -11.938 2.596 -12.820 216 HG12 VAL 28 2HG1 VAL 28 -12.277 1.247 -13.906 217 HG13 VAL 28 3HG1 VAL 28 -10.927 2.333 -14.240 218 HG21 VAL 28 3HG2 VAL 28 -12.108 3.671 -16.609 219 HG22 VAL 28 1HG2 VAL 28 -12.450 5.057 -15.574 220 HG23 VAL 28 2HG2 VAL 28 -11.016 4.072 -15.284 221 H LEU 29 H LEU 29 -14.310 2.173 -17.956 222 HA LEU 29 HA LEU 29 -15.262 4.774 -18.451 223 HG LEU 29 HG LEU 29 -17.114 1.993 -19.825 224 HB2 LEU 29 1HB LEU 29 -15.183 4.131 -20.578 225 HB3 LEU 29 2HB LEU 29 -14.547 2.602 -19.975 226 HD11 LEU 29 1HD1 LEU 29 -17.346 3.575 -22.297 227 HD12 LEU 29 2HD1 LEU 29 -17.413 4.489 -20.791 228 HD13 LEU 29 3HD1 LEU 29 -18.559 3.180 -21.079 229 HD21 LEU 29 3HD2 LEU 29 -16.764 1.502 -22.465 230 HD22 LEU 29 1HD2 LEU 29 -16.054 0.537 -21.170 231 HD23 LEU 29 2HD2 LEU 29 -15.100 1.794 -21.957 232 H GLY 30 H GLY 30 -16.789 1.995 -17.138 233 HA2 GLY 30 1HA GLY 30 -19.477 2.936 -17.764 234 HA3 GLY 30 2HA GLY 30 -19.063 1.452 -16.919 235 H ALA 31 H ALA 31 -17.199 3.101 -15.175 236 HA ALA 31 HA ALA 31 -19.089 3.576 -13.084 237 HB1 ALA 31 1HB ALA 31 -17.006 2.742 -12.389 238 HB2 ALA 31 2HB ALA 31 -16.118 3.960 -13.305 239 HB3 ALA 31 3HB ALA 31 -17.024 4.426 -11.866 240 H GLU 32 H GLU 32 -18.531 5.741 -11.740 241 HA GLU 32 HA GLU 32 -19.100 7.938 -13.610 242 HB2 GLU 32 1HB GLU 32 -20.022 9.070 -11.525 243 HB3 GLU 32 2HB GLU 32 -20.928 7.694 -12.139 244 HG2 GLU 32 1HG GLU 32 -19.904 6.261 -10.448 245 HG3 GLU 32 2HG GLU 32 -18.999 7.642 -9.830 246 H ASP 33 H ASP 33 -17.272 7.113 -10.690 247 HA ASP 33 HA ASP 33 -15.785 9.609 -10.834 248 HB2 ASP 33 1HB ASP 33 -15.492 7.293 -8.908 249 HB3 ASP 33 2HB ASP 33 -14.737 8.877 -8.751 250 H GLY 34 H GLY 34 -15.351 6.194 -11.487 251 HA2 GLY 34 1HA GLY 34 -13.770 5.616 -13.258 252 HA3 GLY 34 2HA GLY 34 -12.688 6.832 -12.595 253 H CYS 35 H CYS 35 -14.477 4.014 -11.330 254 HA CYS 35 HA CYS 35 -11.955 2.856 -10.433 255 HG CYS 35 HG CYS 35 -11.050 4.118 -7.702 256 HB2 CYS 35 1HB CYS 35 -14.246 3.555 -8.595 257 HB3 CYS 35 2HB CYS 35 -12.987 2.404 -8.165 258 H ILE 36 H ILE 36 -12.482 0.650 -9.311 259 HA ILE 36 HA ILE 36 -14.737 -0.651 -10.673 260 HB ILE 36 HB ILE 36 -11.913 -1.721 -10.602 261 HG12 ILE 36 1HG1 ILE 36 -13.506 -1.194 -13.086 262 HG13 ILE 36 2HG1 ILE 36 -12.670 0.136 -12.291 263 HG21 ILE 36 1HG2 ILE 36 -13.425 -3.546 -10.330 264 HG22 ILE 36 2HG2 ILE 36 -14.479 -2.935 -11.603 265 HG23 ILE 36 3HG2 ILE 36 -12.878 -3.553 -12.006 266 HD11 ILE 36 3HD1 ILE 36 -11.175 -0.597 -13.907 267 HD12 ILE 36 1HD1 ILE 36 -10.592 -1.352 -12.424 268 HD13 ILE 36 2HD1 ILE 36 -11.517 -2.298 -13.591 269 H SER 37 H SER 37 -15.988 -1.388 -9.092 270 HA SER 37 HA SER 37 -14.832 -2.230 -6.560 271 HG SER 37 HG SER 37 -18.621 -1.143 -7.400 272 HB2 SER 37 1HB SER 37 -17.360 -2.597 -6.037 273 HB3 SER 37 2HB SER 37 -16.748 -0.950 -6.185 274 H THR 38 H THR 38 -15.047 -4.283 -5.670 275 HA THR 38 HA THR 38 -14.673 -6.467 -7.306 276 HB THR 38 HB THR 38 -14.060 -6.724 -5.042 277 HG1 THR 38 HG1 THR 38 -16.394 -8.307 -5.059 278 HG21 THR 38 3HG2 THR 38 -16.324 -6.878 -3.475 279 HG22 THR 38 1HG2 THR 38 -16.664 -5.513 -4.538 280 HG23 THR 38 2HG2 THR 38 -15.207 -5.515 -3.544 281 H LYS 39 H LYS 39 -17.665 -5.033 -6.225 282 HA LYS 39 HA LYS 39 -19.404 -7.170 -6.797 283 HB2 LYS 39 1HB LYS 39 -21.164 -5.402 -6.918 284 HB3 LYS 39 2HB LYS 39 -20.180 -5.331 -5.462 285 HG2 LYS 39 1HG LYS 39 -18.798 -3.647 -7.038 286 HG3 LYS 39 2HG LYS 39 -20.425 -3.413 -7.681 287 HD2 LYS 39 1HD LYS 39 -19.785 -3.283 -4.742 288 HD3 LYS 39 2HD LYS 39 -19.747 -1.870 -5.798 289 HE2 LYS 39 1HE LYS 39 -22.070 -2.085 -6.292 290 HE3 LYS 39 2HE LYS 39 -22.152 -3.659 -5.502 291 HZ1 LYS 39 3HZ LYS 39 -22.732 -1.258 -4.354 292 HZ2 LYS 39 1HZ LYS 39 -21.188 -1.607 -3.757 293 HZ3 LYS 39 2HZ LYS 39 -22.451 -2.708 -3.529 294 H GLU 40 H GLU 40 -18.361 -4.408 -8.774 295 HA GLU 40 HA GLU 40 -19.838 -5.308 -11.072 296 HB2 GLU 40 1HB GLU 40 -17.639 -3.243 -11.025 297 HB3 GLU 40 2HB GLU 40 -18.934 -3.407 -12.202 298 HG2 GLU 40 1HG GLU 40 -19.350 -2.710 -9.306 299 HG3 GLU 40 2HG GLU 40 -19.245 -1.535 -10.615 300 H LEU 41 H LEU 41 -16.472 -5.363 -10.011 301 HA LEU 41 HA LEU 41 -15.230 -6.234 -12.321 302 HG LEU 41 HG LEU 41 -13.340 -8.520 -10.628 303 HB2 LEU 41 1HB LEU 41 -13.979 -5.597 -10.365 304 HB3 LEU 41 2HB LEU 41 -14.647 -6.949 -9.453 305 HD11 LEU 41 1HD1 LEU 41 -11.752 -7.293 -12.463 306 HD12 LEU 41 2HD1 LEU 41 -13.274 -6.430 -12.679 307 HD13 LEU 41 3HD1 LEU 41 -13.226 -8.186 -12.840 308 HD21 LEU 41 3HD2 LEU 41 -11.895 -6.040 -9.812 309 HD22 LEU 41 1HD2 LEU 41 -10.994 -7.370 -10.540 310 HD23 LEU 41 2HD2 LEU 41 -11.912 -7.635 -9.058 311 H GLY 42 H GLY 42 -17.289 -7.982 -10.128 312 HA2 GLY 42 1HA GLY 42 -16.584 -10.615 -10.704 313 HA3 GLY 42 2HA GLY 42 -18.195 -10.087 -10.240 314 H LYS 43 H LYS 43 -18.536 -8.357 -12.552 315 HA LYS 43 HA LYS 43 -19.616 -10.273 -14.349 316 HB2 LYS 43 1HB LYS 43 -19.587 -7.358 -14.073 317 HB3 LYS 43 2HB LYS 43 -19.589 -7.899 -15.747 318 HG2 LYS 43 1HG LYS 43 -21.549 -9.393 -15.074 319 HG3 LYS 43 2HG LYS 43 -21.633 -8.403 -13.615 320 HD2 LYS 43 1HD LYS 43 -22.691 -6.786 -14.716 321 HD3 LYS 43 2HD LYS 43 -21.413 -6.721 -15.932 322 HE2 LYS 43 1HE LYS 43 -23.419 -8.927 -16.035 323 HE3 LYS 43 2HE LYS 43 -23.877 -7.322 -16.602 324 HZ1 LYS 43 3HZ LYS 43 -21.728 -9.075 -17.638 325 HZ2 LYS 43 1HZ LYS 43 -21.811 -7.428 -18.017 326 HZ3 LYS 43 2HZ LYS 43 -23.069 -8.464 -18.468 327 H VAL 44 H VAL 44 -16.966 -7.915 -14.708 328 HA VAL 44 HA VAL 44 -16.133 -8.587 -17.254 329 HB VAL 44 HB VAL 44 -14.311 -7.816 -14.971 330 HG11 VAL 44 1HG1 VAL 44 -12.691 -7.932 -16.484 331 HG12 VAL 44 2HG1 VAL 44 -13.847 -8.359 -17.747 332 HG13 VAL 44 3HG1 VAL 44 -13.502 -6.664 -17.402 333 HG21 VAL 44 3HG2 VAL 44 -16.275 -6.273 -16.564 334 HG22 VAL 44 1HG2 VAL 44 -15.728 -6.043 -14.903 335 HG23 VAL 44 2HG2 VAL 44 -14.718 -5.507 -16.246 336 H MET 45 H MET 45 -15.722 -10.332 -14.285 337 HA MET 45 HA MET 45 -13.562 -11.984 -15.107 338 HB2 MET 45 1HB MET 45 -15.687 -12.485 -13.016 339 HB3 MET 45 2HB MET 45 -14.196 -13.400 -13.193 340 HG2 MET 45 1HG MET 45 -13.827 -10.506 -12.934 341 HG3 MET 45 2HG MET 45 -14.542 -11.290 -11.527 342 HE1 MET 45 3HE MET 45 -11.803 -11.647 -14.199 343 HE2 MET 45 1HE MET 45 -10.518 -12.540 -13.384 344 HE3 MET 45 2HE MET 45 -12.008 -13.363 -13.846 345 H ARG 46 H ARG 46 -17.082 -12.346 -15.186 346 HA ARG 46 HA ARG 46 -17.062 -15.004 -16.187 347 HE ARG 46 HE ARG 46 -21.968 -13.906 -17.018 348 HB2 ARG 46 1HB ARG 46 -19.356 -14.856 -16.214 349 HB3 ARG 46 2HB ARG 46 -18.974 -13.582 -15.064 350 HG2 ARG 46 1HG ARG 46 -20.426 -12.441 -16.369 351 HG3 ARG 46 2HG ARG 46 -18.950 -12.122 -17.282 352 HD2 ARG 46 1HD ARG 46 -20.259 -12.844 -18.992 353 HD3 ARG 46 2HD ARG 46 -19.646 -14.405 -18.449 354 HH11 ARG 46 1HH1 ARG 46 -21.028 -14.381 -20.336 355 HH12 ARG 46 2HH1 ARG 46 -22.548 -15.066 -20.806 356 HH21 ARG 46 1HH2 ARG 46 -23.975 -14.807 -17.624 357 HH22 ARG 46 2HH2 ARG 46 -24.224 -15.307 -19.262 358 H MET 47 H MET 47 -16.859 -11.856 -17.660 359 HA MET 47 HA MET 47 -17.530 -12.660 -20.305 360 HB2 MET 47 1HB MET 47 -17.325 -10.475 -20.793 361 HB3 MET 47 2HB MET 47 -17.154 -10.253 -19.057 362 HG2 MET 47 1HG MET 47 -14.725 -10.355 -19.281 363 HG3 MET 47 2HG MET 47 -14.898 -10.577 -21.021 364 HE1 MET 47 3HE MET 47 -14.176 -8.709 -22.391 365 HE2 MET 47 1HE MET 47 -15.920 -8.677 -22.656 366 HE3 MET 47 2HE MET 47 -15.037 -7.170 -22.413 367 H LEU 48 H LEU 48 -14.566 -12.581 -18.444 368 HA LEU 48 HA LEU 48 -12.836 -13.034 -20.682 369 HG LEU 48 HG LEU 48 -12.770 -10.988 -18.631 370 HB2 LEU 48 1HB LEU 48 -12.371 -13.380 -17.724 371 HB3 LEU 48 2HB LEU 48 -11.120 -13.468 -18.963 372 HD11 LEU 48 1HD1 LEU 48 -11.674 -11.797 -16.442 373 HD12 LEU 48 2HD1 LEU 48 -11.397 -10.136 -16.966 374 HD13 LEU 48 3HD1 LEU 48 -10.154 -11.360 -17.224 375 HD21 LEU 48 3HD2 LEU 48 -10.404 -10.113 -19.352 376 HD22 LEU 48 1HD2 LEU 48 -11.523 -10.775 -20.544 377 HD23 LEU 48 2HD2 LEU 48 -10.202 -11.769 -19.927 378 H GLY 49 H GLY 49 -14.750 -15.015 -18.605 379 HA2 GLY 49 1HA GLY 49 -15.263 -17.252 -19.466 380 HA3 GLY 49 2HA GLY 49 -13.557 -17.408 -19.862 381 H GLN 50 H GLN 50 -14.189 -15.853 -16.896 382 HA GLN 50 HA GLN 50 -13.738 -18.367 -15.430 383 HB2 GLN 50 1HB GLN 50 -12.331 -15.730 -15.178 384 HB3 GLN 50 2HB GLN 50 -12.451 -16.803 -13.790 385 HG2 GLN 50 1HG GLN 50 -11.367 -18.580 -15.107 386 HG3 GLN 50 2HG GLN 50 -11.184 -17.445 -16.443 387 HE21 GLN 50 2HE2 GLN 50 -10.623 -17.379 -12.936 388 HE22 GLN 50 1HE2 GLN 50 -9.019 -16.746 -13.034 389 H ASN 51 H ASN 51 -14.596 -18.473 -13.311 390 HA ASN 51 HA ASN 51 -16.453 -16.335 -12.552 391 HB2 ASN 51 1HB ASN 51 -18.058 -18.269 -11.879 392 HB3 ASN 51 2HB ASN 51 -17.996 -17.760 -13.564 393 HD21 ASN 51 2HD2 ASN 51 -17.035 -20.208 -11.272 394 HD22 ASN 51 1HD2 ASN 51 -16.698 -21.441 -12.434 395 HA PRO 52 HA PRO 52 -13.843 -17.956 -9.036 396 HB2 PRO 52 1HB PRO 52 -12.932 -15.521 -8.254 397 HB3 PRO 52 2HB PRO 52 -12.124 -16.499 -9.485 398 HG2 PRO 52 1HG PRO 52 -13.998 -14.190 -9.829 399 HG3 PRO 52 2HG PRO 52 -12.492 -14.547 -10.695 400 HD2 PRO 52 1HD PRO 52 -14.933 -15.075 -11.739 401 HD3 PRO 52 2HD PRO 52 -13.509 -16.075 -12.089 402 H THR 53 H THR 53 -14.193 -17.635 -6.780 403 HA THR 53 HA THR 53 -16.831 -17.198 -6.021 404 HB THR 53 HB THR 53 -15.543 -16.743 -3.678 405 HG1 THR 53 HG1 THR 53 -13.609 -18.002 -3.760 406 HG21 THR 53 3HG2 THR 53 -15.723 -19.474 -4.945 407 HG22 THR 53 1HG2 THR 53 -17.115 -18.599 -4.310 408 HG23 THR 53 2HG2 THR 53 -15.805 -19.076 -3.229 409 HA PRO 54 HA PRO 54 -17.368 -12.871 -5.517 410 HB2 PRO 54 1HB PRO 54 -18.879 -12.741 -3.265 411 HB3 PRO 54 2HB PRO 54 -19.508 -13.320 -4.812 412 HG2 PRO 54 1HG PRO 54 -18.543 -14.889 -2.453 413 HG3 PRO 54 2HG PRO 54 -19.968 -15.164 -3.472 414 HD2 PRO 54 1HD PRO 54 -17.671 -16.567 -3.771 415 HD3 PRO 54 2HD PRO 54 -18.738 -16.180 -5.136 416 H GLU 55 H GLU 55 -16.666 -14.423 -2.378 417 HA GLU 55 HA GLU 55 -15.575 -12.116 -1.177 418 HB2 GLU 55 1HB GLU 55 -14.914 -14.977 -0.475 419 HB3 GLU 55 2HB GLU 55 -14.813 -13.572 0.576 420 HG2 GLU 55 1HG GLU 55 -17.244 -13.329 0.482 421 HG3 GLU 55 2HG GLU 55 -17.340 -14.747 -0.561 422 H GLU 56 H GLU 56 -14.227 -14.561 -3.256 423 HA GLU 56 HA GLU 56 -11.497 -14.152 -2.701 424 HB2 GLU 56 1HB GLU 56 -13.087 -15.481 -4.780 425 HB3 GLU 56 2HB GLU 56 -11.537 -14.875 -5.348 426 HG2 GLU 56 1HG GLU 56 -11.966 -16.745 -3.029 427 HG3 GLU 56 2HG GLU 56 -11.365 -17.184 -4.626 428 H LEU 57 H LEU 57 -13.669 -12.669 -5.076 429 HA LEU 57 HA LEU 57 -11.867 -11.154 -6.513 430 HG LEU 57 HG LEU 57 -14.240 -12.488 -7.258 431 HB2 LEU 57 1HB LEU 57 -14.678 -10.479 -5.668 432 HB3 LEU 57 2HB LEU 57 -13.760 -9.559 -6.859 433 HD11 LEU 57 1HD1 LEU 57 -16.403 -11.225 -6.743 434 HD12 LEU 57 2HD1 LEU 57 -16.328 -12.146 -8.245 435 HD13 LEU 57 3HD1 LEU 57 -16.131 -10.393 -8.275 436 HD21 LEU 57 3HD2 LEU 57 -13.661 -12.086 -9.431 437 HD22 LEU 57 1HD2 LEU 57 -12.702 -10.841 -8.632 438 HD23 LEU 57 2HD2 LEU 57 -14.235 -10.418 -9.394 439 H GLN 58 H GLN 58 -13.681 -10.097 -3.629 440 HA GLN 58 HA GLN 58 -12.302 -7.636 -3.381 441 HB2 GLN 58 1HB GLN 58 -14.443 -7.804 -2.363 442 HB3 GLN 58 2HB GLN 58 -13.982 -9.243 -1.463 443 HG2 GLN 58 1HG GLN 58 -14.084 -7.341 0.010 444 HG3 GLN 58 2HG GLN 58 -12.419 -7.901 -0.136 445 HE21 GLN 58 2HE2 GLN 58 -11.015 -6.319 -0.260 446 HE22 GLN 58 1HE2 GLN 58 -11.268 -4.778 -0.998 447 H GLU 59 H GLU 59 -11.587 -10.866 -2.373 448 HA GLU 59 HA GLU 59 -9.829 -10.350 -0.250 449 HB2 GLU 59 1HB GLU 59 -10.801 -12.594 -1.064 450 HB3 GLU 59 2HB GLU 59 -9.454 -12.615 -2.194 451 HG2 GLU 59 1HG GLU 59 -7.876 -12.835 -0.515 452 HG3 GLU 59 2HG GLU 59 -8.968 -12.226 0.727 453 H MET 60 H MET 60 -9.100 -10.940 -3.692 454 HA MET 60 HA MET 60 -6.336 -10.353 -3.432 455 HB2 MET 60 1HB MET 60 -8.223 -10.769 -5.704 456 HB3 MET 60 2HB MET 60 -6.670 -10.016 -6.042 457 HG2 MET 60 1HG MET 60 -5.497 -11.923 -5.173 458 HG3 MET 60 2HG MET 60 -7.010 -12.660 -4.650 459 HE1 MET 60 3HE MET 60 -6.334 -15.191 -7.009 460 HE2 MET 60 1HE MET 60 -4.853 -14.292 -7.343 461 HE3 MET 60 2HE MET 60 -5.470 -14.393 -5.694 462 H ILE 61 H ILE 61 -9.159 -8.409 -3.878 463 HA ILE 61 HA ILE 61 -7.740 -6.102 -4.868 464 HB ILE 61 HB ILE 61 -10.573 -6.481 -3.907 465 HG12 ILE 61 1HG1 ILE 61 -9.406 -5.921 -6.643 466 HG13 ILE 61 2HG1 ILE 61 -10.003 -7.480 -6.085 467 HG21 ILE 61 1HG2 ILE 61 -9.984 -4.236 -3.337 468 HG22 ILE 61 2HG2 ILE 61 -9.217 -3.984 -4.904 469 HG23 ILE 61 3HG2 ILE 61 -10.966 -4.182 -4.801 470 HD11 ILE 61 3HD1 ILE 61 -11.649 -6.444 -7.484 471 HD12 ILE 61 1HD1 ILE 61 -12.244 -6.479 -5.824 472 HD13 ILE 61 2HD1 ILE 61 -11.616 -4.978 -6.505 473 H ASP 62 H ASP 62 -8.555 -7.434 -1.795 474 HA ASP 62 HA ASP 62 -8.400 -5.013 -0.289 475 HB2 ASP 62 1HB ASP 62 -9.456 -7.333 0.334 476 HB3 ASP 62 2HB ASP 62 -7.833 -7.699 0.911 477 H GLU 63 H GLU 63 -6.113 -7.536 -1.189 478 HA GLU 63 HA GLU 63 -3.990 -6.585 0.458 479 HB2 GLU 63 1HB GLU 63 -4.445 -8.775 -1.328 480 HB3 GLU 63 2HB GLU 63 -2.930 -7.996 -1.764 481 HG2 GLU 63 1HG GLU 63 -2.254 -8.175 0.641 482 HG3 GLU 63 2HG GLU 63 -3.690 -9.165 0.898 483 H VAL 64 H VAL 64 -5.024 -5.976 -2.841 484 HA VAL 64 HA VAL 64 -2.673 -4.438 -3.500 485 HB VAL 64 HB VAL 64 -3.767 -3.971 -5.615 486 HG11 VAL 64 1HG1 VAL 64 -2.652 -6.095 -5.453 487 HG12 VAL 64 2HG1 VAL 64 -4.076 -6.833 -4.717 488 HG13 VAL 64 3HG1 VAL 64 -4.127 -6.299 -6.398 489 HG21 VAL 64 3HG2 VAL 64 -6.014 -3.565 -5.014 490 HG22 VAL 64 1HG2 VAL 64 -6.044 -5.011 -6.023 491 HG23 VAL 64 2HG2 VAL 64 -6.184 -5.156 -4.271 492 H ASP 65 H ASP 65 -5.959 -3.819 -2.442 493 HA ASP 65 HA ASP 65 -5.902 -1.008 -2.911 494 HB2 ASP 65 1HB ASP 65 -7.997 -2.341 -2.713 495 HB3 ASP 65 2HB ASP 65 -7.659 -2.557 -0.998 496 H GLU 66 H GLU 66 -3.788 -0.563 -1.961 497 HA GLU 66 HA GLU 66 -3.310 -0.868 0.818 498 HB2 GLU 66 1HB GLU 66 -1.389 0.582 0.463 499 HB3 GLU 66 2HB GLU 66 -1.500 -0.606 -0.828 500 HG2 GLU 66 1HG GLU 66 -1.014 1.307 -1.993 501 HG3 GLU 66 2HG GLU 66 -2.773 1.269 -2.091 502 H ASP 67 H ASP 67 -5.113 1.395 -1.013 503 HA ASP 67 HA ASP 67 -5.067 3.412 1.094 504 HB2 ASP 67 1HB ASP 67 -6.628 4.627 -0.529 505 HB3 ASP 67 2HB ASP 67 -4.964 4.384 -1.055 506 H GLY 68 H GLY 68 -6.760 0.633 0.384 507 HA2 GLY 68 1HA GLY 68 -8.765 -0.244 1.089 508 HA3 GLY 68 2HA GLY 68 -8.549 0.806 2.481 509 H SER 69 H SER 69 -9.080 1.703 -0.905 510 HA SER 69 HA SER 69 -11.130 3.561 -0.146 511 HG SER 69 HG SER 69 -10.039 2.812 -3.982 512 HB2 SER 69 1HB SER 69 -11.307 3.939 -2.627 513 HB3 SER 69 2HB SER 69 -9.685 4.169 -1.972 514 H GLY 70 H GLY 70 -11.035 0.276 -1.181 515 HA2 GLY 70 1HA GLY 70 -12.948 -1.131 -0.822 516 HA3 GLY 70 2HA GLY 70 -13.978 0.242 -1.198 517 H THR 71 H THR 71 -11.671 0.506 -3.426 518 HA THR 71 HA THR 71 -12.686 -1.523 -5.263 519 HB THR 71 HB THR 71 -13.185 0.095 -7.021 520 HG1 THR 71 HG1 THR 71 -12.585 2.028 -5.012 521 HG21 THR 71 3HG2 THR 71 -14.938 -0.619 -5.346 522 HG22 THR 71 1HG2 THR 71 -15.266 0.892 -6.192 523 HG23 THR 71 2HG2 THR 71 -14.670 0.922 -4.532 524 H VAL 72 H VAL 72 -11.525 -1.226 -7.476 525 HA VAL 72 HA VAL 72 -8.675 -0.824 -6.882 526 HB VAL 72 HB VAL 72 -10.118 -2.555 -8.860 527 HG11 VAL 72 1HG1 VAL 72 -8.575 -1.646 -10.331 528 HG12 VAL 72 2HG1 VAL 72 -7.343 -1.458 -9.083 529 HG13 VAL 72 3HG1 VAL 72 -7.726 -3.061 -9.711 530 HG21 VAL 72 3HG2 VAL 72 -8.557 -2.908 -6.443 531 HG22 VAL 72 1HG2 VAL 72 -9.629 -4.038 -7.270 532 HG23 VAL 72 2HG2 VAL 72 -7.946 -3.890 -7.774 533 H ASP 73 H ASP 73 -7.735 0.944 -7.638 534 HA ASP 73 HA ASP 73 -9.010 2.428 -9.815 535 HB2 ASP 73 1HB ASP 73 -7.936 4.343 -9.032 536 HB3 ASP 73 2HB ASP 73 -8.267 3.455 -7.547 537 H PHE 74 H PHE 74 -6.970 3.820 -10.902 538 HA PHE 74 HA PHE 74 -5.903 2.069 -12.791 539 HD1 PHE 74 HD1 PHE 74 -4.462 2.012 -14.260 540 HD2 PHE 74 HD2 PHE 74 -3.501 6.066 -13.386 541 HE1 PHE 74 HE1 PHE 74 -2.591 1.910 -15.855 542 HE2 PHE 74 HE2 PHE 74 -1.630 5.970 -14.980 543 HZ PHE 74 HZ PHE 74 -1.173 3.890 -16.218 544 HB2 PHE 74 1HB PHE 74 -6.129 4.423 -13.282 545 HB3 PHE 74 2HB PHE 74 -5.009 4.843 -11.991 546 H ASP 75 H ASP 75 -4.432 3.464 -9.888 547 HA ASP 75 HA ASP 75 -1.858 2.364 -10.286 548 HB2 ASP 75 1HB ASP 75 -2.498 4.261 -8.716 549 HB3 ASP 75 2HB ASP 75 -3.087 3.023 -7.609 550 H GLU 76 H GLU 76 -4.422 1.370 -8.008 551 HA GLU 76 HA GLU 76 -3.226 -0.982 -7.139 552 HB2 GLU 76 1HB GLU 76 -6.165 -0.342 -7.433 553 HB3 GLU 76 2HB GLU 76 -5.527 -1.708 -6.529 554 HG2 GLU 76 1HG GLU 76 -4.687 -0.380 -4.847 555 HG3 GLU 76 2HG GLU 76 -4.611 1.052 -5.872 556 H TRP 77 H TRP 77 -5.211 -0.365 -9.977 557 HA TRP 77 HA TRP 77 -5.556 -3.074 -10.734 558 HD1 TRP 77 HD1 TRP 77 -8.433 -3.076 -12.591 559 HE1 TRP 77 HE1 TRP 77 -8.383 -4.387 -14.805 560 HE3 TRP 77 HE3 TRP 77 -3.834 -1.626 -14.288 561 HZ2 TRP 77 HZ2 TRP 77 -6.625 -4.758 -16.983 562 HZ3 TRP 77 HZ3 TRP 77 -3.042 -2.505 -16.445 563 HH2 TRP 77 HH2 TRP 77 -4.410 -4.039 -17.763 564 HB2 TRP 77 1HB TRP 77 -6.961 -1.192 -11.563 565 HB3 TRP 77 2HB TRP 77 -5.588 -0.625 -12.509 566 H LEU 78 H LEU 78 -3.171 -0.608 -11.597 567 HA LEU 78 HA LEU 78 -1.813 -2.152 -13.539 568 HG LEU 78 HG LEU 78 -0.752 -0.383 -14.929 569 HB2 LEU 78 1HB LEU 78 -1.716 0.422 -12.823 570 HB3 LEU 78 2HB LEU 78 -0.298 -0.161 -11.954 571 HD11 LEU 78 1HD1 LEU 78 1.415 1.237 -13.695 572 HD12 LEU 78 2HD1 LEU 78 -0.218 1.902 -13.732 573 HD13 LEU 78 3HD1 LEU 78 0.582 1.445 -15.236 574 HD21 LEU 78 3HD2 LEU 78 0.632 -2.156 -14.538 575 HD22 LEU 78 1HD2 LEU 78 1.318 -1.444 -13.078 576 HD23 LEU 78 2HD2 LEU 78 1.830 -0.868 -14.664 577 H VAL 79 H VAL 79 -1.085 -1.496 -10.115 578 HA VAL 79 HA VAL 79 1.211 -3.110 -9.964 579 HB VAL 79 HB VAL 79 0.935 -3.036 -7.544 580 HG11 VAL 79 1HG1 VAL 79 1.270 -0.869 -9.222 581 HG12 VAL 79 2HG1 VAL 79 0.071 -0.311 -8.053 582 HG13 VAL 79 3HG1 VAL 79 1.631 -0.918 -7.496 583 HG21 VAL 79 3HG2 VAL 79 -1.048 -1.902 -6.567 584 HG22 VAL 79 1HG2 VAL 79 -1.796 -1.919 -8.165 585 HG23 VAL 79 2HG2 VAL 79 -1.430 -3.438 -7.346 586 H MET 80 H MET 80 -2.199 -3.846 -9.674 587 HA MET 80 HA MET 80 -2.132 -6.309 -8.421 588 HB2 MET 80 1HB MET 80 -4.244 -5.317 -8.874 589 HB3 MET 80 2HB MET 80 -3.925 -5.253 -10.602 590 HG2 MET 80 1HG MET 80 -4.179 -7.589 -10.832 591 HG3 MET 80 2HG MET 80 -4.151 -7.833 -9.087 592 HE1 MET 80 3HE MET 80 -5.712 -5.403 -11.470 593 HE2 MET 80 1HE MET 80 -7.458 -5.584 -11.294 594 HE3 MET 80 2HE MET 80 -6.537 -4.688 -10.085 595 H MET 81 H MET 81 -1.735 -5.587 -11.877 596 HA MET 81 HA MET 81 -1.413 -8.281 -12.687 597 HB2 MET 81 1HB MET 81 -1.989 -6.293 -14.158 598 HB3 MET 81 2HB MET 81 -0.284 -5.865 -14.097 599 HG2 MET 81 1HG MET 81 0.346 -7.855 -15.218 600 HG3 MET 81 2HG MET 81 -1.271 -8.535 -15.052 601 HE1 MET 81 3HE MET 81 -3.458 -6.969 -17.442 602 HE2 MET 81 1HE MET 81 -3.260 -7.224 -15.707 603 HE3 MET 81 2HE MET 81 -3.104 -5.602 -16.384 604 H ALA 82 H ALA 82 0.797 -5.841 -11.502 605 HA ALA 82 HA ALA 82 3.238 -6.898 -12.287 606 HB1 ALA 82 1HB ALA 82 2.569 -4.741 -10.902 607 HB2 ALA 82 2HB ALA 82 3.035 -5.772 -9.548 608 HB3 ALA 82 3HB ALA 82 4.193 -5.427 -10.833 609 H ARG 83 H ARG 83 1.002 -8.030 -9.890 610 HA ARG 83 HA ARG 83 2.745 -9.587 -8.324 611 HE ARG 83 HE ARG 83 1.597 -10.187 -4.408 612 HB2 ARG 83 1HB ARG 83 0.122 -8.965 -8.165 613 HB3 ARG 83 2HB ARG 83 0.004 -10.613 -8.767 614 HG2 ARG 83 1HG ARG 83 0.457 -11.450 -6.766 615 HG3 ARG 83 2HG ARG 83 1.904 -10.452 -6.611 616 HD2 ARG 83 1HD ARG 83 0.094 -8.567 -6.160 617 HD3 ARG 83 2HD ARG 83 -0.866 -9.958 -5.657 618 HH11 ARG 83 1HH1 ARG 83 -1.088 -7.971 -4.432 619 HH12 ARG 83 2HH1 ARG 83 -0.846 -7.457 -2.795 620 HH21 ARG 83 1HH2 ARG 83 1.926 -9.518 -2.252 621 HH22 ARG 83 2HH2 ARG 83 0.869 -8.337 -1.557 622 H CYS 84 H CYS 84 1.406 -10.069 -11.474 623 HA CYS 84 HA CYS 84 1.681 -12.896 -11.587 624 HG CYS 84 HG CYS 84 1.171 -14.297 -13.700 625 HB2 CYS 84 1HB CYS 84 0.240 -11.514 -13.112 626 HB3 CYS 84 2HB CYS 84 1.708 -10.956 -13.904 627 H MET 85 H MET 85 3.921 -10.342 -11.679 628 HA MET 85 HA MET 85 5.903 -11.609 -13.312 629 HB2 MET 85 1HB MET 85 6.026 -9.288 -11.386 630 HB3 MET 85 2HB MET 85 7.412 -9.841 -12.316 631 HG2 MET 85 1HG MET 85 5.668 -9.550 -14.309 632 HG3 MET 85 2HG MET 85 5.006 -8.365 -13.185 633 HE1 MET 85 3HE MET 85 6.687 -8.928 -15.973 634 HE2 MET 85 1HE MET 85 6.701 -7.185 -16.246 635 HE3 MET 85 2HE MET 85 8.221 -8.062 -16.077 636 H LYS 86 H LYS 86 5.076 -11.618 -9.927 637 HA LYS 86 HA LYS 86 7.535 -12.732 -8.997 638 HB2 LYS 86 1HB LYS 86 4.850 -12.187 -7.849 639 HB3 LYS 86 2HB LYS 86 5.823 -13.414 -7.048 640 HG2 LYS 86 1HG LYS 86 6.323 -11.442 -5.915 641 HG3 LYS 86 2HG LYS 86 7.684 -11.667 -7.017 642 HD2 LYS 86 1HD LYS 86 6.460 -10.145 -8.627 643 HD3 LYS 86 2HD LYS 86 5.360 -9.773 -7.298 644 HE2 LYS 86 1HE LYS 86 8.347 -9.347 -7.308 645 HE3 LYS 86 2HE LYS 86 7.122 -8.093 -7.488 646 HZ1 LYS 86 3HZ LYS 86 6.980 -7.941 -5.299 647 HZ2 LYS 86 1HZ LYS 86 8.205 -9.096 -5.129 648 HZ3 LYS 86 2HZ LYS 86 6.585 -9.580 -5.163 649 H ASP 87 H ASP 87 5.069 -14.004 -10.839 650 HA ASP 87 HA ASP 87 4.376 -16.111 -11.379 651 HB2 ASP 87 1HB ASP 87 6.939 -16.022 -11.887 652 HB3 ASP 87 2HB ASP 87 7.064 -17.125 -10.519 653 H ASP 88 H ASP 88 3.638 -15.374 -8.797 654 HA ASP 88 HA ASP 88 4.152 -17.701 -7.108 655 HB2 ASP 88 1HB ASP 88 2.851 -15.028 -6.621 656 HB3 ASP 88 2HB ASP 88 2.712 -16.347 -5.461 657 H SER 89 H SER 89 2.982 -19.341 -8.056 658 HA SER 89 HA SER 89 1.174 -20.649 -8.497 659 HG SER 89 HG SER 89 1.129 -18.991 -5.549 660 HB2 SER 89 1HB SER 89 -0.534 -18.723 -6.934 661 HB3 SER 89 2HB SER 89 -0.705 -20.472 -7.088 Start of MODEL 25 1 HA MET 1 HA MET 1 2.595 0.709 -0.826 2 H1 MET 1 H MET 1 1.040 -1.367 -2.218 3 HB2 MET 1 1HB MET 1 2.090 -0.537 1.248 4 HB3 MET 1 2HB MET 1 0.638 0.027 0.432 5 HG2 MET 1 1HG MET 1 0.223 -2.180 -0.446 6 HG3 MET 1 2HG MET 1 1.737 -2.766 0.240 7 HE1 MET 1 3HE MET 1 -0.058 -4.605 0.831 8 HE2 MET 1 1HE MET 1 1.057 -4.628 2.198 9 HE3 MET 1 2HE MET 1 -0.684 -4.673 2.479 10 H ASP 2 H ASP 2 2.565 -2.621 -1.910 11 HA ASP 2 HA ASP 2 4.930 -3.474 -0.631 12 HB2 ASP 2 1HB ASP 2 3.140 -4.479 -2.722 13 HB3 ASP 2 2HB ASP 2 4.820 -4.959 -2.950 14 H ASP 3 H ASP 3 6.932 -2.785 -0.931 15 HA ASP 3 HA ASP 3 7.654 -1.089 -3.106 16 HB2 ASP 3 1HB ASP 3 9.901 -1.123 -2.113 17 HB3 ASP 3 2HB ASP 3 8.667 -0.830 -0.891 18 H ILE 4 H ILE 4 7.820 -4.493 -2.516 19 HA ILE 4 HA ILE 4 9.864 -5.131 -4.378 20 HB ILE 4 HB ILE 4 9.257 -6.729 -2.670 21 HG12 ILE 4 1HG1 ILE 4 8.255 -8.213 -5.017 22 HG13 ILE 4 2HG1 ILE 4 9.763 -7.341 -5.271 23 HG21 ILE 4 1HG2 ILE 4 6.637 -6.013 -3.299 24 HG22 ILE 4 2HG2 ILE 4 6.776 -7.708 -3.761 25 HG23 ILE 4 3HG2 ILE 4 7.159 -7.210 -2.114 26 HD11 ILE 4 3HD1 ILE 4 10.316 -8.540 -2.938 27 HD12 ILE 4 1HD1 ILE 4 9.197 -9.715 -3.628 28 HD13 ILE 4 2HD1 ILE 4 10.653 -9.259 -4.513 29 H TYR 5 H TYR 5 6.412 -4.630 -4.647 30 HA TYR 5 HA TYR 5 6.298 -5.634 -7.359 31 HD1 TYR 5 HD1 TYR 5 5.362 -7.389 -7.303 32 HD2 TYR 5 HD2 TYR 5 2.878 -5.661 -4.312 33 HE1 TYR 5 HE1 TYR 5 4.787 -9.637 -6.490 34 HE2 TYR 5 HE2 TYR 5 2.298 -7.905 -3.490 35 HH TYR 5 HH TYR 5 3.823 -10.438 -3.821 36 HB2 TYR 5 1HB TYR 5 4.254 -4.275 -5.598 37 HB3 TYR 5 2HB TYR 5 3.924 -4.789 -7.249 38 H LYS 6 H LYS 6 6.169 -2.500 -5.720 39 HA LYS 6 HA LYS 6 5.744 -0.948 -8.046 40 HB2 LYS 6 1HB LYS 6 6.054 0.926 -6.688 41 HB3 LYS 6 2HB LYS 6 5.454 -0.290 -5.568 42 HG2 LYS 6 1HG LYS 6 7.177 0.478 -4.327 43 HG3 LYS 6 2HG LYS 6 8.063 -0.724 -5.269 44 HD2 LYS 6 1HD LYS 6 8.271 1.360 -6.933 45 HD3 LYS 6 2HD LYS 6 8.131 2.235 -5.406 46 HE2 LYS 6 1HE LYS 6 10.050 -0.047 -5.699 47 HE3 LYS 6 2HE LYS 6 10.478 1.567 -6.266 48 HZ1 LYS 6 3HZ LYS 6 9.690 0.846 -3.494 49 HZ2 LYS 6 1HZ LYS 6 10.051 2.410 -4.030 50 HZ3 LYS 6 2HZ LYS 6 11.254 1.221 -4.019 51 H ALA 7 H ALA 7 8.588 -2.303 -6.568 52 HA ALA 7 HA ALA 7 10.509 -0.676 -7.881 53 HB1 ALA 7 1HB ALA 7 10.551 -3.181 -6.308 54 HB2 ALA 7 2HB ALA 7 11.921 -2.886 -7.379 55 HB3 ALA 7 3HB ALA 7 11.509 -1.711 -6.130 56 H ALA 8 H ALA 8 8.996 -3.773 -8.662 57 HA ALA 8 HA ALA 8 10.564 -4.128 -11.055 58 HB1 ALA 8 1HB ALA 8 8.160 -5.738 -10.921 59 HB2 ALA 8 2HB ALA 8 9.852 -6.234 -10.953 60 HB3 ALA 8 3HB ALA 8 9.087 -5.808 -9.422 61 H VAL 9 H VAL 9 7.338 -2.990 -10.228 62 HA VAL 9 HA VAL 9 6.370 -2.859 -12.902 63 HB VAL 9 HB VAL 9 5.077 -2.793 -10.608 64 HG11 VAL 9 1HG1 VAL 9 5.239 0.149 -11.233 65 HG12 VAL 9 2HG1 VAL 9 4.426 -0.627 -9.872 66 HG13 VAL 9 3HG1 VAL 9 6.187 -0.631 -9.967 67 HG21 VAL 9 3HG2 VAL 9 4.053 -2.937 -12.829 68 HG22 VAL 9 1HG2 VAL 9 3.142 -1.865 -11.765 69 HG23 VAL 9 2HG2 VAL 9 4.195 -1.188 -13.008 70 H GLU 10 H GLU 10 8.175 -0.691 -10.844 71 HA GLU 10 HA GLU 10 7.766 1.654 -12.413 72 HB2 GLU 10 1HB GLU 10 9.588 0.874 -10.180 73 HB3 GLU 10 2HB GLU 10 9.980 2.306 -11.122 74 HG2 GLU 10 1HG GLU 10 7.206 2.330 -10.382 75 HG3 GLU 10 2HG GLU 10 8.224 2.111 -8.960 76 H GLN 11 H GLN 11 10.020 -1.001 -12.499 77 HA GLN 11 HA GLN 11 11.755 0.334 -14.410 78 HB2 GLN 11 1HB GLN 11 13.039 -1.793 -14.347 79 HB3 GLN 11 2HB GLN 11 12.833 -1.057 -12.763 80 HG2 GLN 11 1HG GLN 11 11.060 -2.624 -12.237 81 HG3 GLN 11 2HG GLN 11 11.191 -3.335 -13.845 82 HE21 GLN 11 2HE2 GLN 11 12.438 -5.052 -14.045 83 HE22 GLN 11 1HE2 GLN 11 13.666 -5.549 -12.938 84 H LEU 12 H LEU 12 8.826 -0.746 -14.781 85 HA LEU 12 HA LEU 12 9.000 -2.695 -16.837 86 HG LEU 12 HG LEU 12 7.210 -2.964 -14.623 87 HB2 LEU 12 1HB LEU 12 6.856 -0.844 -15.871 88 HB3 LEU 12 2HB LEU 12 6.622 -1.789 -17.339 89 HD11 LEU 12 1HD1 LEU 12 5.025 -1.824 -14.709 90 HD12 LEU 12 2HD1 LEU 12 4.877 -3.572 -14.534 91 HD13 LEU 12 3HD1 LEU 12 4.587 -2.815 -16.100 92 HD21 LEU 12 3HD2 LEU 12 7.940 -4.358 -16.486 93 HD22 LEU 12 1HD2 LEU 12 6.340 -4.234 -17.217 94 HD23 LEU 12 2HD2 LEU 12 6.541 -5.067 -15.676 95 H THR 13 H THR 13 7.761 -2.065 -19.011 96 HA THR 13 HA THR 13 9.373 0.078 -20.198 97 HB THR 13 HB THR 13 8.807 -0.941 -22.373 98 HG1 THR 13 HG1 THR 13 7.390 -2.539 -22.514 99 HG21 THR 13 3HG2 THR 13 10.711 -1.737 -20.747 100 HG22 THR 13 1HG2 THR 13 10.367 -2.630 -22.228 101 HG23 THR 13 2HG2 THR 13 9.750 -3.214 -20.682 102 H GLU 14 H GLU 14 8.288 1.254 -22.060 103 HA GLU 14 HA GLU 14 6.011 2.620 -21.072 104 HB2 GLU 14 1HB GLU 14 7.245 2.661 -23.832 105 HB3 GLU 14 2HB GLU 14 6.048 3.804 -23.241 106 HG2 GLU 14 1HG GLU 14 7.740 4.297 -21.375 107 HG3 GLU 14 2HG GLU 14 8.905 3.484 -22.418 108 H GLU 15 H GLU 15 6.456 -0.006 -23.340 109 HA GLU 15 HA GLU 15 3.886 0.069 -24.517 110 HB2 GLU 15 1HB GLU 15 5.957 -2.098 -24.234 111 HB3 GLU 15 2HB GLU 15 4.413 -2.391 -25.023 112 HG2 GLU 15 1HG GLU 15 6.213 -0.155 -25.879 113 HG3 GLU 15 2HG GLU 15 6.418 -1.798 -26.485 114 H GLN 16 H GLN 16 5.209 -1.893 -21.859 115 HA GLN 16 HA GLN 16 2.852 -3.294 -21.275 116 HB2 GLN 16 1HB GLN 16 5.147 -2.543 -19.458 117 HB3 GLN 16 2HB GLN 16 3.897 -3.714 -19.060 118 HG2 GLN 16 1HG GLN 16 5.121 -4.309 -21.605 119 HG3 GLN 16 2HG GLN 16 6.319 -4.209 -20.316 120 HE21 GLN 16 2HE2 GLN 16 6.782 -6.179 -19.663 121 HE22 GLN 16 1HE2 GLN 16 5.645 -7.438 -19.337 122 H LYS 17 H LYS 17 4.203 -0.373 -19.752 123 HA LYS 17 HA LYS 17 2.124 0.060 -17.931 124 HB2 LYS 17 1HB LYS 17 4.505 1.247 -18.387 125 HB3 LYS 17 2HB LYS 17 3.433 2.451 -19.091 126 HG2 LYS 17 1HG LYS 17 3.806 3.078 -16.840 127 HG3 LYS 17 2HG LYS 17 2.161 2.446 -16.932 128 HD2 LYS 17 1HD LYS 17 2.855 1.313 -15.087 129 HD3 LYS 17 2HD LYS 17 3.429 0.183 -16.316 130 HE2 LYS 17 1HE LYS 17 5.400 0.376 -15.260 131 HE3 LYS 17 2HE LYS 17 5.531 1.898 -16.141 132 HZ1 LYS 17 3HZ LYS 17 5.380 3.053 -14.264 133 HZ2 LYS 17 1HZ LYS 17 5.613 1.597 -13.433 134 HZ3 LYS 17 2HZ LYS 17 4.046 2.170 -13.713 135 H ASN 18 H ASN 18 2.443 0.896 -21.317 136 HA ASN 18 HA ASN 18 0.279 2.716 -21.446 137 HB2 ASN 18 1HB ASN 18 1.993 1.275 -23.373 138 HB3 ASN 18 2HB ASN 18 0.396 1.718 -23.970 139 HD21 ASN 18 2HD2 ASN 18 2.977 2.712 -24.799 140 HD22 ASN 18 1HD2 ASN 18 2.956 4.419 -24.531 141 H GLU 19 H GLU 19 0.515 -0.772 -21.670 142 HA GLU 19 HA GLU 19 -2.084 -1.234 -22.703 143 HB2 GLU 19 1HB GLU 19 -0.011 -2.907 -21.349 144 HB3 GLU 19 2HB GLU 19 -1.640 -3.547 -21.514 145 HG2 GLU 19 1HG GLU 19 0.020 -2.537 -23.810 146 HG3 GLU 19 2HG GLU 19 -0.082 -4.227 -23.321 147 H PHE 20 H PHE 20 -0.767 -1.130 -19.418 148 HA PHE 20 HA PHE 20 -3.147 -1.883 -18.098 149 HD1 PHE 20 HD2 PHE 20 -2.085 -3.623 -17.648 150 HD2 PHE 20 HD1 PHE 20 1.115 -1.138 -16.341 151 HE1 PHE 20 HE2 PHE 20 -0.577 -5.567 -17.655 152 HE2 PHE 20 HE1 PHE 20 2.628 -3.078 -16.347 153 HZ PHE 20 HZ PHE 20 1.782 -5.296 -17.003 154 HB2 PHE 20 1HB PHE 20 -0.901 -0.172 -17.014 155 HB3 PHE 20 2HB PHE 20 -2.075 -1.085 -16.072 156 H LYS 21 H LYS 21 -2.041 1.111 -19.436 157 HA LYS 21 HA LYS 21 -3.910 2.755 -17.981 158 HB2 LYS 21 1HB LYS 21 -1.654 3.511 -18.888 159 HB3 LYS 21 2HB LYS 21 -2.400 3.511 -20.480 160 HG2 LYS 21 1HG LYS 21 -4.182 5.029 -19.306 161 HG3 LYS 21 2HG LYS 21 -2.868 5.321 -18.165 162 HD2 LYS 21 1HD LYS 21 -2.343 5.548 -21.096 163 HD3 LYS 21 2HD LYS 21 -3.175 6.862 -20.261 164 HE2 LYS 21 1HE LYS 21 -1.243 6.736 -18.573 165 HE3 LYS 21 2HE LYS 21 -0.407 5.792 -19.805 166 HZ1 LYS 21 3HZ LYS 21 0.029 7.616 -20.975 167 HZ2 LYS 21 1HZ LYS 21 -0.447 8.509 -19.619 168 HZ3 LYS 21 2HZ LYS 21 -1.557 8.192 -20.856 169 H ALA 22 H ALA 22 -3.761 1.155 -21.093 170 HA ALA 22 HA ALA 22 -6.127 2.454 -22.108 171 HB1 ALA 22 1HB ALA 22 -5.499 1.636 -24.087 172 HB2 ALA 22 2HB ALA 22 -4.011 1.145 -23.276 173 HB3 ALA 22 3HB ALA 22 -5.338 -0.003 -23.457 174 H ALA 23 H ALA 23 -5.308 -0.866 -21.098 175 HA ALA 23 HA ALA 23 -7.878 -1.943 -21.365 176 HB1 ALA 23 1HB ALA 23 -5.431 -2.719 -19.855 177 HB2 ALA 23 2HB ALA 23 -6.946 -3.555 -19.513 178 HB3 ALA 23 3HB ALA 23 -6.280 -3.571 -21.146 179 H PHE 24 H PHE 24 -6.502 0.084 -18.925 180 HA PHE 24 HA PHE 24 -8.369 -0.545 -16.856 181 HD1 PHE 24 HD2 PHE 24 -7.602 0.177 -14.147 182 HD2 PHE 24 HD1 PHE 24 -7.743 3.671 -16.574 183 HE1 PHE 24 HE2 PHE 24 -8.611 1.427 -12.283 184 HE2 PHE 24 HE1 PHE 24 -8.751 4.927 -14.714 185 HZ PHE 24 HZ PHE 24 -9.187 3.804 -12.565 186 HB2 PHE 24 1HB PHE 24 -6.262 0.393 -16.209 187 HB3 PHE 24 2HB PHE 24 -6.488 1.781 -17.267 188 H ASP 25 H ASP 25 -8.288 1.695 -19.528 189 HA ASP 25 HA ASP 25 -10.346 3.428 -18.672 190 HB2 ASP 25 1HB ASP 25 -8.654 3.704 -20.616 191 HB3 ASP 25 2HB ASP 25 -9.827 2.794 -21.565 192 H ILE 26 H ILE 26 -10.375 0.450 -20.579 193 HA ILE 26 HA ILE 26 -13.125 0.505 -21.226 194 HB ILE 26 HB ILE 26 -11.287 -1.880 -20.980 195 HG12 ILE 26 1HG1 ILE 26 -11.711 -1.409 -23.655 196 HG13 ILE 26 2HG1 ILE 26 -11.624 0.223 -23.001 197 HG21 ILE 26 1HG2 ILE 26 -13.599 -2.573 -20.913 198 HG22 ILE 26 2HG2 ILE 26 -13.969 -1.583 -22.324 199 HG23 ILE 26 3HG2 ILE 26 -12.908 -2.983 -22.483 200 HD11 ILE 26 3HD1 ILE 26 -9.532 -1.835 -23.260 201 HD12 ILE 26 1HD1 ILE 26 -9.429 -0.080 -23.395 202 HD13 ILE 26 2HD1 ILE 26 -9.485 -0.840 -21.805 203 H PHE 27 H PHE 27 -11.329 -0.813 -18.498 204 HA PHE 27 HA PHE 27 -13.423 -2.292 -17.340 205 HD1 PHE 27 HD1 PHE 27 -10.978 -3.102 -18.475 206 HD2 PHE 27 HD2 PHE 27 -11.413 -3.717 -14.285 207 HE1 PHE 27 HE1 PHE 27 -10.269 -5.442 -18.748 208 HE2 PHE 27 HE2 PHE 27 -10.704 -6.058 -14.552 209 HZ PHE 27 HZ PHE 27 -10.131 -6.923 -16.785 210 HB2 PHE 27 1HB PHE 27 -10.822 -1.193 -16.397 211 HB3 PHE 27 2HB PHE 27 -11.987 -1.685 -15.173 212 H VAL 28 H VAL 28 -12.235 0.982 -16.585 213 HA VAL 28 HA VAL 28 -14.516 1.492 -14.875 214 HB VAL 28 HB VAL 28 -13.515 3.641 -14.427 215 HG11 VAL 28 1HG1 VAL 28 -12.265 1.164 -13.950 216 HG12 VAL 28 2HG1 VAL 28 -10.981 2.319 -14.313 217 HG13 VAL 28 3HG1 VAL 28 -12.124 2.649 -13.010 218 HG21 VAL 28 3HG2 VAL 28 -12.077 3.079 -16.932 219 HG22 VAL 28 1HG2 VAL 28 -12.588 4.616 -16.234 220 HG23 VAL 28 2HG2 VAL 28 -11.115 3.833 -15.661 221 H LEU 29 H LEU 29 -14.258 1.349 -18.080 222 HA LEU 29 HA LEU 29 -15.274 3.795 -19.028 223 HG LEU 29 HG LEU 29 -17.005 0.760 -19.951 224 HB2 LEU 29 1HB LEU 29 -15.119 2.805 -21.013 225 HB3 LEU 29 2HB LEU 29 -14.456 1.422 -20.146 226 HD11 LEU 29 1HD1 LEU 29 -18.453 1.677 -21.408 227 HD12 LEU 29 2HD1 LEU 29 -17.227 1.894 -22.657 228 HD13 LEU 29 3HD1 LEU 29 -17.349 3.050 -21.331 229 HD21 LEU 29 3HD2 LEU 29 -15.870 -0.864 -21.015 230 HD22 LEU 29 1HD2 LEU 29 -14.932 0.278 -21.978 231 HD23 LEU 29 2HD2 LEU 29 -16.573 -0.148 -22.466 232 H GLY 30 H GLY 30 -16.755 1.229 -17.296 233 HA2 GLY 30 1HA GLY 30 -19.451 1.980 -18.125 234 HA3 GLY 30 2HA GLY 30 -19.023 0.652 -17.057 235 H ALA 31 H ALA 31 -17.238 2.611 -15.554 236 HA ALA 31 HA ALA 31 -19.184 3.332 -13.589 237 HB1 ALA 31 1HB ALA 31 -16.223 3.641 -13.839 238 HB2 ALA 31 2HB ALA 31 -17.098 4.514 -12.580 239 HB3 ALA 31 3HB ALA 31 -17.162 2.752 -12.639 240 H GLU 32 H GLU 32 -18.773 5.685 -12.585 241 HA GLU 32 HA GLU 32 -19.341 7.556 -14.782 242 HB2 GLU 32 1HB GLU 32 -20.285 7.381 -11.945 243 HB3 GLU 32 2HB GLU 32 -20.285 8.935 -12.766 244 HG2 GLU 32 1HG GLU 32 -21.607 6.520 -13.949 245 HG3 GLU 32 2HG GLU 32 -22.434 7.577 -12.807 246 H ASP 33 H ASP 33 -17.558 7.197 -11.751 247 HA ASP 33 HA ASP 33 -16.172 9.722 -12.198 248 HB2 ASP 33 1HB ASP 33 -17.022 8.844 -9.912 249 HB3 ASP 33 2HB ASP 33 -15.594 7.813 -9.949 250 H GLY 34 H GLY 34 -15.598 6.266 -12.310 251 HA2 GLY 34 1HA GLY 34 -13.918 5.543 -13.957 252 HA3 GLY 34 2HA GLY 34 -12.891 6.833 -13.351 253 H CYS 35 H CYS 35 -14.741 4.133 -11.928 254 HA CYS 35 HA CYS 35 -12.278 3.103 -10.756 255 HG CYS 35 HG CYS 35 -16.087 3.380 -9.898 256 HB2 CYS 35 1HB CYS 35 -13.179 3.004 -8.512 257 HB3 CYS 35 2HB CYS 35 -13.243 4.668 -9.081 258 H ILE 36 H ILE 36 -12.852 1.010 -9.467 259 HA ILE 36 HA ILE 36 -14.985 -0.453 -10.866 260 HB ILE 36 HB ILE 36 -12.184 -1.476 -10.380 261 HG12 ILE 36 1HG1 ILE 36 -13.347 -1.456 -13.094 262 HG13 ILE 36 2HG1 ILE 36 -13.011 0.132 -12.414 263 HG21 ILE 36 1HG2 ILE 36 -14.674 -2.820 -11.389 264 HG22 ILE 36 2HG2 ILE 36 -13.061 -3.440 -11.739 265 HG23 ILE 36 3HG2 ILE 36 -13.614 -3.314 -10.069 266 HD11 ILE 36 3HD1 ILE 36 -11.064 -0.377 -13.537 267 HD12 ILE 36 1HD1 ILE 36 -10.686 -0.852 -11.882 268 HD13 ILE 36 2HD1 ILE 36 -11.119 -2.078 -13.075 269 H SER 37 H SER 37 -16.375 -1.206 -9.425 270 HA SER 37 HA SER 37 -15.561 -1.587 -6.660 271 HG SER 37 HG SER 37 -17.855 -2.462 -5.481 272 HB2 SER 37 1HB SER 37 -17.618 -0.526 -6.685 273 HB3 SER 37 2HB SER 37 -18.178 -1.416 -8.101 274 H THR 38 H THR 38 -15.747 -3.520 -5.519 275 HA THR 38 HA THR 38 -14.900 -5.838 -6.731 276 HB THR 38 HB THR 38 -14.674 -5.784 -4.400 277 HG1 THR 38 HG1 THR 38 -16.914 -7.504 -4.623 278 HG21 THR 38 3HG2 THR 38 -16.096 -4.444 -3.300 279 HG22 THR 38 1HG2 THR 38 -17.143 -5.858 -3.183 280 HG23 THR 38 2HG2 THR 38 -17.379 -4.691 -4.485 281 H LYS 39 H LYS 39 -18.148 -4.615 -6.414 282 HA LYS 39 HA LYS 39 -19.528 -7.020 -6.993 283 HB2 LYS 39 1HB LYS 39 -20.542 -4.969 -5.970 284 HB3 LYS 39 2HB LYS 39 -20.449 -4.196 -7.547 285 HG2 LYS 39 1HG LYS 39 -22.015 -5.705 -8.481 286 HG3 LYS 39 2HG LYS 39 -21.936 -6.764 -7.071 287 HD2 LYS 39 1HD LYS 39 -23.978 -5.452 -7.022 288 HD3 LYS 39 2HD LYS 39 -22.916 -4.973 -5.696 289 HE2 LYS 39 1HE LYS 39 -22.149 -3.055 -7.026 290 HE3 LYS 39 2HE LYS 39 -23.241 -3.529 -8.327 291 HZ1 LYS 39 3HZ LYS 39 -24.257 -3.004 -5.605 292 HZ2 LYS 39 1HZ LYS 39 -25.098 -2.982 -7.073 293 HZ3 LYS 39 2HZ LYS 39 -24.013 -1.739 -6.701 294 H GLU 40 H GLU 40 -18.565 -4.273 -9.039 295 HA GLU 40 HA GLU 40 -19.522 -5.503 -11.441 296 HB2 GLU 40 1HB GLU 40 -17.535 -3.243 -11.276 297 HB3 GLU 40 2HB GLU 40 -18.656 -3.605 -12.580 298 HG2 GLU 40 1HG GLU 40 -19.266 -2.474 -9.870 299 HG3 GLU 40 2HG GLU 40 -19.534 -1.739 -11.450 300 H LEU 41 H LEU 41 -16.476 -5.374 -9.735 301 HA LEU 41 HA LEU 41 -14.752 -6.195 -11.778 302 HG LEU 41 HG LEU 41 -13.078 -8.244 -9.613 303 HB2 LEU 41 1HB LEU 41 -13.895 -5.354 -9.700 304 HB3 LEU 41 2HB LEU 41 -14.648 -6.673 -8.806 305 HD11 LEU 41 1HD1 LEU 41 -11.236 -7.001 -11.204 306 HD12 LEU 41 2HD1 LEU 41 -12.754 -6.305 -11.772 307 HD13 LEU 41 3HD1 LEU 41 -12.532 -8.055 -11.771 308 HD21 LEU 41 3HD2 LEU 41 -10.869 -7.105 -9.076 309 HD22 LEU 41 1HD2 LEU 41 -12.123 -7.034 -7.838 310 HD23 LEU 41 2HD2 LEU 41 -11.808 -5.628 -8.855 311 H GLY 42 H GLY 42 -17.071 -7.963 -9.895 312 HA2 GLY 42 1HA GLY 42 -16.006 -10.567 -10.365 313 HA3 GLY 42 2HA GLY 42 -17.637 -10.194 -9.825 314 H LYS 43 H LYS 43 -18.239 -8.495 -12.109 315 HA LYS 43 HA LYS 43 -19.318 -10.431 -13.837 316 HB2 LYS 43 1HB LYS 43 -19.204 -7.501 -13.704 317 HB3 LYS 43 2HB LYS 43 -19.312 -8.136 -15.341 318 HG2 LYS 43 1HG LYS 43 -21.298 -9.455 -14.629 319 HG3 LYS 43 2HG LYS 43 -21.224 -8.629 -13.070 320 HD2 LYS 43 1HD LYS 43 -21.157 -6.839 -15.391 321 HD3 LYS 43 2HD LYS 43 -22.648 -7.771 -15.235 322 HE2 LYS 43 1HE LYS 43 -23.310 -6.215 -13.781 323 HE3 LYS 43 2HE LYS 43 -22.147 -6.919 -12.659 324 HZ1 LYS 43 3HZ LYS 43 -21.915 -4.490 -12.939 325 HZ2 LYS 43 1HZ LYS 43 -21.511 -4.734 -14.564 326 HZ3 LYS 43 2HZ LYS 43 -20.509 -5.340 -13.344 327 H VAL 44 H VAL 44 -16.535 -8.255 -14.231 328 HA VAL 44 HA VAL 44 -15.803 -8.945 -16.815 329 HB VAL 44 HB VAL 44 -14.015 -8.199 -14.498 330 HG11 VAL 44 1HG1 VAL 44 -12.538 -7.415 -16.488 331 HG12 VAL 44 2HG1 VAL 44 -12.512 -9.111 -16.000 332 HG13 VAL 44 3HG1 VAL 44 -13.454 -8.610 -17.405 333 HG21 VAL 44 3HG2 VAL 44 -15.535 -6.434 -14.894 334 HG22 VAL 44 1HG2 VAL 44 -14.040 -5.972 -15.707 335 HG23 VAL 44 2HG2 VAL 44 -15.394 -6.604 -16.644 336 H MET 45 H MET 45 -15.477 -10.740 -13.871 337 HA MET 45 HA MET 45 -13.422 -12.509 -14.692 338 HB2 MET 45 1HB MET 45 -15.607 -13.198 -12.738 339 HB3 MET 45 2HB MET 45 -13.953 -13.791 -12.772 340 HG2 MET 45 1HG MET 45 -14.888 -11.034 -12.027 341 HG3 MET 45 2HG MET 45 -14.166 -12.247 -10.972 342 HE1 MET 45 3HE MET 45 -12.068 -13.501 -12.175 343 HE2 MET 45 1HE MET 45 -11.690 -12.864 -13.775 344 HE3 MET 45 2HE MET 45 -10.599 -12.556 -12.425 345 H ARG 46 H ARG 46 -16.858 -12.403 -15.236 346 HA ARG 46 HA ARG 46 -17.209 -15.104 -16.017 347 HE ARG 46 HE ARG 46 -20.577 -11.957 -19.481 348 HB2 ARG 46 1HB ARG 46 -19.374 -14.531 -16.451 349 HB3 ARG 46 2HB ARG 46 -18.931 -13.148 -15.460 350 HG2 ARG 46 1HG ARG 46 -18.446 -11.874 -17.521 351 HG3 ARG 46 2HG ARG 46 -19.013 -13.252 -18.467 352 HD2 ARG 46 1HD ARG 46 -21.163 -13.035 -17.044 353 HD3 ARG 46 2HD ARG 46 -20.563 -11.418 -16.678 354 HH11 ARG 46 1HH1 ARG 46 -22.574 -11.018 -16.789 355 HH12 ARG 46 2HH1 ARG 46 -23.728 -10.176 -17.770 356 HH21 ARG 46 1HH2 ARG 46 -22.089 -10.853 -20.784 357 HH22 ARG 46 2HH2 ARG 46 -23.452 -10.084 -20.042 358 H MET 47 H MET 47 -16.512 -12.136 -17.819 359 HA MET 47 HA MET 47 -16.576 -13.382 -20.380 360 HB2 MET 47 1HB MET 47 -15.660 -11.301 -21.217 361 HB3 MET 47 2HB MET 47 -16.924 -10.956 -20.044 362 HG2 MET 47 1HG MET 47 -15.437 -10.181 -18.464 363 HG3 MET 47 2HG MET 47 -14.077 -11.054 -19.166 364 HE1 MET 47 3HE MET 47 -16.750 -8.284 -20.281 365 HE2 MET 47 1HE MET 47 -15.909 -7.810 -18.805 366 HE3 MET 47 2HE MET 47 -15.635 -6.916 -20.300 367 H LEU 48 H LEU 48 -14.191 -13.063 -17.898 368 HA LEU 48 HA LEU 48 -11.920 -13.561 -19.577 369 HG LEU 48 HG LEU 48 -9.916 -12.585 -18.298 370 HB2 LEU 48 1HB LEU 48 -12.441 -13.105 -16.737 371 HB3 LEU 48 2HB LEU 48 -11.136 -14.248 -17.044 372 HD11 LEU 48 1HD1 LEU 48 -10.712 -10.333 -18.603 373 HD12 LEU 48 2HD1 LEU 48 -12.196 -10.700 -17.726 374 HD13 LEU 48 3HD1 LEU 48 -11.883 -11.462 -19.285 375 HD21 LEU 48 3HD2 LEU 48 -9.321 -12.438 -16.069 376 HD22 LEU 48 1HD2 LEU 48 -10.907 -11.845 -15.576 377 HD23 LEU 48 2HD2 LEU 48 -9.795 -10.779 -16.435 378 H GLY 49 H GLY 49 -14.258 -15.499 -17.913 379 HA2 GLY 49 1HA GLY 49 -14.553 -17.784 -18.690 380 HA3 GLY 49 2HA GLY 49 -12.803 -17.909 -18.797 381 H GLN 50 H GLN 50 -14.140 -16.298 -16.058 382 HA GLN 50 HA GLN 50 -13.832 -18.720 -14.424 383 HB2 GLN 50 1HB GLN 50 -12.202 -16.324 -14.355 384 HB3 GLN 50 2HB GLN 50 -12.979 -16.610 -12.804 385 HG2 GLN 50 1HG GLN 50 -12.087 -19.085 -13.328 386 HG3 GLN 50 2HG GLN 50 -10.871 -18.136 -14.181 387 HE21 GLN 50 2HE2 GLN 50 -9.746 -16.486 -12.956 388 HE22 GLN 50 1HE2 GLN 50 -9.472 -16.727 -11.267 389 H ASN 51 H ASN 51 -14.998 -18.714 -12.437 390 HA ASN 51 HA ASN 51 -16.938 -16.565 -12.050 391 HB2 ASN 51 1HB ASN 51 -17.926 -19.400 -12.007 392 HB3 ASN 51 2HB ASN 51 -18.844 -17.908 -12.191 393 HD21 ASN 51 2HD2 ASN 51 -19.315 -17.209 -14.175 394 HD22 ASN 51 1HD2 ASN 51 -18.727 -17.912 -15.639 395 HA PRO 52 HA PRO 52 -15.051 -18.369 -8.159 396 HB2 PRO 52 1HB PRO 52 -14.054 -16.021 -7.230 397 HB3 PRO 52 2HB PRO 52 -13.150 -17.088 -8.312 398 HG2 PRO 52 1HG PRO 52 -14.710 -14.616 -8.958 399 HG3 PRO 52 2HG PRO 52 -13.123 -15.126 -9.561 400 HD2 PRO 52 1HD PRO 52 -15.396 -15.435 -11.000 401 HD3 PRO 52 2HD PRO 52 -14.035 -16.570 -11.109 402 H THR 53 H THR 53 -15.303 -17.205 -5.871 403 HA THR 53 HA THR 53 -18.109 -16.903 -5.478 404 HB THR 53 HB THR 53 -17.172 -16.143 -3.096 405 HG1 THR 53 HG1 THR 53 -15.061 -17.812 -3.946 406 HG21 THR 53 3HG2 THR 53 -18.479 -18.158 -3.508 407 HG22 THR 53 1HG2 THR 53 -17.108 -18.522 -2.462 408 HG23 THR 53 2HG2 THR 53 -17.057 -18.965 -4.168 409 HA PRO 54 HA PRO 54 -18.692 -12.557 -5.655 410 HB2 PRO 54 1HB PRO 54 -20.389 -12.111 -3.583 411 HB3 PRO 54 2HB PRO 54 -20.884 -12.923 -5.073 412 HG2 PRO 54 1HG PRO 54 -20.123 -14.109 -2.432 413 HG3 PRO 54 2HG PRO 54 -21.456 -14.551 -3.514 414 HD2 PRO 54 1HD PRO 54 -19.142 -15.954 -3.406 415 HD3 PRO 54 2HD PRO 54 -20.090 -15.789 -4.898 416 H GLU 55 H GLU 55 -18.257 -13.615 -2.271 417 HA GLU 55 HA GLU 55 -17.272 -11.140 -1.342 418 HB2 GLU 55 1HB GLU 55 -16.983 -13.943 -0.258 419 HB3 GLU 55 2HB GLU 55 -16.409 -12.514 0.591 420 HG2 GLU 55 1HG GLU 55 -18.796 -11.649 0.408 421 HG3 GLU 55 2HG GLU 55 -19.231 -13.293 -0.053 422 H GLU 56 H GLU 56 -15.760 -13.833 -2.936 423 HA GLU 56 HA GLU 56 -13.095 -13.440 -2.217 424 HB2 GLU 56 1HB GLU 56 -14.548 -14.888 -4.261 425 HB3 GLU 56 2HB GLU 56 -13.052 -14.224 -4.902 426 HG2 GLU 56 1HG GLU 56 -11.895 -15.264 -2.908 427 HG3 GLU 56 2HG GLU 56 -13.402 -16.128 -2.610 428 H LEU 57 H LEU 57 -15.051 -11.877 -4.700 429 HA LEU 57 HA LEU 57 -13.126 -10.532 -6.137 430 HG LEU 57 HG LEU 57 -16.332 -9.876 -7.824 431 HB2 LEU 57 1HB LEU 57 -15.947 -9.911 -5.401 432 HB3 LEU 57 2HB LEU 57 -14.986 -8.679 -6.216 433 HD11 LEU 57 1HD1 LEU 57 -14.653 -9.587 -9.238 434 HD12 LEU 57 2HD1 LEU 57 -13.981 -11.144 -8.755 435 HD13 LEU 57 3HD1 LEU 57 -13.497 -9.675 -7.909 436 HD21 LEU 57 3HD2 LEU 57 -16.674 -11.953 -6.650 437 HD22 LEU 57 1HD2 LEU 57 -14.959 -12.344 -6.767 438 HD23 LEU 57 2HD2 LEU 57 -15.951 -12.288 -8.224 439 H GLN 58 H GLN 58 -14.849 -9.288 -3.271 440 HA GLN 58 HA GLN 58 -13.260 -6.956 -3.046 441 HB2 GLN 58 1HB GLN 58 -15.406 -6.911 -2.036 442 HB3 GLN 58 2HB GLN 58 -15.091 -8.383 -1.127 443 HG2 GLN 58 1HG GLN 58 -15.021 -6.475 0.339 444 HG3 GLN 58 2HG GLN 58 -13.415 -7.189 0.204 445 HE21 GLN 58 2HE2 GLN 58 -11.880 -5.731 0.117 446 HE22 GLN 58 1HE2 GLN 58 -11.979 -4.182 -0.642 447 H GLU 59 H GLU 59 -12.831 -10.224 -2.009 448 HA GLU 59 HA GLU 59 -11.068 -9.870 0.133 449 HB2 GLU 59 1HB GLU 59 -12.187 -12.024 -0.946 450 HB3 GLU 59 2HB GLU 59 -10.632 -12.134 -1.758 451 HG2 GLU 59 1HG GLU 59 -10.537 -13.473 0.203 452 HG3 GLU 59 2HG GLU 59 -9.532 -12.050 0.468 453 H MET 60 H MET 60 -10.334 -10.403 -3.315 454 HA MET 60 HA MET 60 -7.536 -10.055 -3.008 455 HB2 MET 60 1HB MET 60 -9.246 -9.792 -5.488 456 HB3 MET 60 2HB MET 60 -7.493 -9.933 -5.466 457 HG2 MET 60 1HG MET 60 -9.119 -12.048 -4.153 458 HG3 MET 60 2HG MET 60 -9.018 -12.012 -5.912 459 HE1 MET 60 3HE MET 60 -5.467 -12.941 -6.760 460 HE2 MET 60 1HE MET 60 -7.144 -13.310 -7.164 461 HE3 MET 60 2HE MET 60 -6.603 -11.633 -7.089 462 H ILE 61 H ILE 61 -10.193 -7.871 -3.495 463 HA ILE 61 HA ILE 61 -8.590 -5.651 -4.354 464 HB ILE 61 HB ILE 61 -11.428 -5.784 -3.334 465 HG12 ILE 61 1HG1 ILE 61 -10.301 -5.377 -6.114 466 HG13 ILE 61 2HG1 ILE 61 -11.019 -6.867 -5.512 467 HG21 ILE 61 1HG2 ILE 61 -10.577 -3.601 -2.825 468 HG22 ILE 61 2HG2 ILE 61 -9.878 -3.447 -4.436 469 HG23 ILE 61 3HG2 ILE 61 -11.630 -3.474 -4.234 470 HD11 ILE 61 3HD1 ILE 61 -12.993 -6.160 -6.195 471 HD12 ILE 61 1HD1 ILE 61 -12.890 -4.804 -5.073 472 HD13 ILE 61 2HD1 ILE 61 -12.286 -4.633 -6.721 473 H ASP 62 H ASP 62 -9.477 -7.030 -1.324 474 HA ASP 62 HA ASP 62 -9.224 -4.746 0.318 475 HB2 ASP 62 1HB ASP 62 -10.283 -6.892 1.021 476 HB3 ASP 62 2HB ASP 62 -8.683 -7.627 1.066 477 H GLU 63 H GLU 63 -6.904 -7.309 -0.525 478 HA GLU 63 HA GLU 63 -4.748 -6.129 0.913 479 HB2 GLU 63 1HB GLU 63 -5.215 -8.522 -0.595 480 HB3 GLU 63 2HB GLU 63 -3.723 -7.778 -1.150 481 HG2 GLU 63 1HG GLU 63 -3.990 -7.867 1.757 482 HG3 GLU 63 2HG GLU 63 -3.959 -9.452 0.986 483 H VAL 64 H VAL 64 -6.114 -5.624 -2.206 484 HA VAL 64 HA VAL 64 -3.768 -4.393 -3.348 485 HB VAL 64 HB VAL 64 -6.632 -4.497 -4.299 486 HG11 VAL 64 1HG1 VAL 64 -5.722 -3.676 -6.458 487 HG12 VAL 64 2HG1 VAL 64 -5.634 -2.484 -5.159 488 HG13 VAL 64 3HG1 VAL 64 -4.186 -3.365 -5.650 489 HG21 VAL 64 3HG2 VAL 64 -4.426 -5.795 -5.776 490 HG22 VAL 64 1HG2 VAL 64 -4.878 -6.524 -4.235 491 HG23 VAL 64 2HG2 VAL 64 -6.084 -6.332 -5.508 492 H ASP 65 H ASP 65 -6.961 -3.242 -2.268 493 HA ASP 65 HA ASP 65 -6.436 -0.504 -2.666 494 HB2 ASP 65 1HB ASP 65 -8.680 -1.791 -2.194 495 HB3 ASP 65 2HB ASP 65 -8.300 -1.429 -0.513 496 H GLU 66 H GLU 66 -4.683 0.404 -1.765 497 HA GLU 66 HA GLU 66 -3.655 -0.317 0.784 498 HB2 GLU 66 1HB GLU 66 -2.147 1.604 0.488 499 HB3 GLU 66 2HB GLU 66 -2.203 0.589 -0.947 500 HG2 GLU 66 1HG GLU 66 -4.066 2.311 -1.665 501 HG3 GLU 66 2HG GLU 66 -3.205 3.350 -0.533 502 H ASP 67 H ASP 67 -5.999 1.988 -0.309 503 HA ASP 67 HA ASP 67 -6.020 3.347 2.284 504 HB2 ASP 67 1HB ASP 67 -7.788 4.786 1.087 505 HB3 ASP 67 2HB ASP 67 -6.116 4.927 0.550 506 H GLY 68 H GLY 68 -7.468 0.737 0.795 507 HA2 GLY 68 1HA GLY 68 -9.300 -0.553 1.293 508 HA3 GLY 68 2HA GLY 68 -9.209 0.165 2.894 509 H SER 69 H SER 69 -9.856 1.800 -0.174 510 HA SER 69 HA SER 69 -12.155 3.100 0.951 511 HG SER 69 HG SER 69 -10.083 3.599 -2.403 512 HB2 SER 69 1HB SER 69 -12.359 4.087 -1.363 513 HB3 SER 69 2HB SER 69 -10.809 4.376 -0.572 514 H GLY 70 H GLY 70 -11.572 0.296 -0.995 515 HA2 GLY 70 1HA GLY 70 -13.245 -1.423 -1.124 516 HA3 GLY 70 2HA GLY 70 -14.477 -0.170 -1.095 517 H THR 71 H THR 71 -11.797 0.502 -3.093 518 HA THR 71 HA THR 71 -12.936 -0.721 -5.463 519 HB THR 71 HB THR 71 -12.706 1.730 -6.524 520 HG1 THR 71 HG1 THR 71 -13.213 2.082 -3.777 521 HG21 THR 71 3HG2 THR 71 -14.654 0.247 -6.700 522 HG22 THR 71 1HG2 THR 71 -15.138 1.913 -6.387 523 HG23 THR 71 2HG2 THR 71 -15.163 0.727 -5.082 524 H VAL 72 H VAL 72 -11.525 -0.719 -7.256 525 HA VAL 72 HA VAL 72 -8.732 -0.180 -6.533 526 HB VAL 72 HB VAL 72 -10.045 -2.134 -8.360 527 HG11 VAL 72 1HG1 VAL 72 -7.365 -0.873 -8.818 528 HG12 VAL 72 2HG1 VAL 72 -7.689 -2.533 -9.321 529 HG13 VAL 72 3HG1 VAL 72 -8.650 -1.207 -9.978 530 HG21 VAL 72 3HG2 VAL 72 -9.298 -3.502 -6.776 531 HG22 VAL 72 1HG2 VAL 72 -7.645 -3.082 -7.227 532 HG23 VAL 72 2HG2 VAL 72 -8.476 -2.166 -5.969 533 H ASP 73 H ASP 73 -7.664 1.441 -7.450 534 HA ASP 73 HA ASP 73 -8.900 2.839 -9.707 535 HB2 ASP 73 1HB ASP 73 -6.749 3.659 -7.749 536 HB3 ASP 73 2HB ASP 73 -7.224 4.637 -9.135 537 H PHE 74 H PHE 74 -6.968 4.041 -11.012 538 HA PHE 74 HA PHE 74 -5.873 2.098 -12.680 539 HD1 PHE 74 HD2 PHE 74 -4.430 1.925 -14.193 540 HD2 PHE 74 HD1 PHE 74 -3.580 6.070 -13.733 541 HE1 PHE 74 HE2 PHE 74 -2.538 1.706 -15.750 542 HE2 PHE 74 HE1 PHE 74 -1.686 5.858 -15.289 543 HZ PHE 74 HZ PHE 74 -1.162 3.674 -16.299 544 HB2 PHE 74 1HB PHE 74 -6.176 4.340 -13.491 545 HB3 PHE 74 2HB PHE 74 -5.094 4.986 -12.262 546 H ASP 75 H ASP 75 -4.376 3.921 -10.036 547 HA ASP 75 HA ASP 75 -1.773 2.910 -10.335 548 HB2 ASP 75 1HB ASP 75 -3.015 3.701 -7.701 549 HB3 ASP 75 2HB ASP 75 -1.322 3.806 -8.176 550 H GLU 76 H GLU 76 -4.238 1.961 -7.931 551 HA GLU 76 HA GLU 76 -2.885 -0.253 -6.924 552 HB2 GLU 76 1HB GLU 76 -5.730 0.624 -6.978 553 HB3 GLU 76 2HB GLU 76 -5.399 -1.041 -6.521 554 HG2 GLU 76 1HG GLU 76 -4.386 -0.457 -4.571 555 HG3 GLU 76 2HG GLU 76 -3.824 1.092 -5.197 556 H TRP 77 H TRP 77 -4.997 0.049 -9.720 557 HA TRP 77 HA TRP 77 -5.239 -2.726 -10.250 558 HD1 TRP 77 HD1 TRP 77 -8.254 -2.929 -11.798 559 HE1 TRP 77 HE1 TRP 77 -8.369 -4.502 -13.832 560 HE3 TRP 77 HE3 TRP 77 -3.840 -1.669 -14.050 561 HZ2 TRP 77 HZ2 TRP 77 -6.797 -5.127 -16.092 562 HZ3 TRP 77 HZ3 TRP 77 -3.219 -2.802 -16.144 563 HH2 TRP 77 HH2 TRP 77 -4.668 -4.495 -17.142 564 HB2 TRP 77 1HB TRP 77 -6.735 -0.908 -11.154 565 HB3 TRP 77 2HB TRP 77 -5.434 -0.479 -12.261 566 H LEU 78 H LEU 78 -2.981 -0.236 -11.331 567 HA LEU 78 HA LEU 78 -1.637 -1.822 -13.248 568 HG LEU 78 HG LEU 78 -0.551 -0.218 -14.722 569 HB2 LEU 78 1HB LEU 78 -1.602 0.773 -12.696 570 HB3 LEU 78 2HB LEU 78 -0.175 0.303 -11.775 571 HD11 LEU 78 1HD1 LEU 78 -0.330 2.233 -13.827 572 HD12 LEU 78 2HD1 LEU 78 0.609 1.696 -15.220 573 HD13 LEU 78 3HD1 LEU 78 1.364 1.785 -13.629 574 HD21 LEU 78 3HD2 LEU 78 0.958 -1.803 -13.818 575 HD22 LEU 78 1HD2 LEU 78 1.754 -0.583 -12.822 576 HD23 LEU 78 2HD2 LEU 78 1.945 -0.551 -14.575 577 H VAL 79 H VAL 79 -0.851 -1.018 -9.871 578 HA VAL 79 HA VAL 79 1.513 -2.528 -9.717 579 HB VAL 79 HB VAL 79 1.209 -2.444 -7.268 580 HG11 VAL 79 1HG1 VAL 79 1.707 -0.370 -8.981 581 HG12 VAL 79 2HG1 VAL 79 0.436 0.290 -7.951 582 HG13 VAL 79 3HG1 VAL 79 1.926 -0.323 -7.232 583 HG21 VAL 79 3HG2 VAL 79 -1.456 -1.202 -7.945 584 HG22 VAL 79 1HG2 VAL 79 -1.195 -2.760 -7.160 585 HG23 VAL 79 2HG2 VAL 79 -0.740 -1.270 -6.334 586 H MET 80 H MET 80 -1.853 -3.408 -9.368 587 HA MET 80 HA MET 80 -1.620 -5.844 -8.052 588 HB2 MET 80 1HB MET 80 -3.791 -4.926 -8.408 589 HB3 MET 80 2HB MET 80 -3.569 -4.905 -10.153 590 HG2 MET 80 1HG MET 80 -3.869 -7.193 -10.350 591 HG3 MET 80 2HG MET 80 -3.510 -7.485 -8.649 592 HE1 MET 80 3HE MET 80 -5.740 -4.438 -9.363 593 HE2 MET 80 1HE MET 80 -6.005 -5.348 -10.850 594 HE3 MET 80 2HE MET 80 -7.323 -5.142 -9.697 595 H MET 81 H MET 81 -1.656 -5.249 -11.568 596 HA MET 81 HA MET 81 -1.279 -7.853 -12.426 597 HB2 MET 81 1HB MET 81 -1.628 -5.581 -13.728 598 HB3 MET 81 2HB MET 81 0.124 -5.641 -13.861 599 HG2 MET 81 1HG MET 81 -0.786 -6.613 -15.824 600 HG3 MET 81 2HG MET 81 -0.099 -7.913 -14.852 601 HE1 MET 81 3HE MET 81 -4.041 -6.497 -14.046 602 HE2 MET 81 1HE MET 81 -3.080 -5.775 -15.338 603 HE3 MET 81 2HE MET 81 -4.397 -6.880 -15.731 604 H ALA 82 H ALA 82 1.052 -5.549 -11.187 605 HA ALA 82 HA ALA 82 3.424 -6.781 -11.984 606 HB1 ALA 82 1HB ALA 82 3.751 -5.692 -9.365 607 HB2 ALA 82 2HB ALA 82 4.288 -5.042 -10.914 608 HB3 ALA 82 3HB ALA 82 2.683 -4.645 -10.301 609 H ARG 83 H ARG 83 1.101 -7.730 -9.623 610 HA ARG 83 HA ARG 83 2.733 -9.293 -7.940 611 HE ARG 83 HE ARG 83 -2.669 -10.943 -9.786 612 HB2 ARG 83 1HB ARG 83 0.768 -10.078 -6.988 613 HB3 ARG 83 2HB ARG 83 0.261 -8.534 -7.660 614 HG2 ARG 83 1HG ARG 83 -0.443 -9.900 -9.721 615 HG3 ARG 83 2HG ARG 83 -0.320 -11.296 -8.649 616 HD2 ARG 83 1HD ARG 83 -1.941 -10.339 -7.143 617 HD3 ARG 83 2HD ARG 83 -1.985 -8.848 -8.082 618 HH11 ARG 83 1HH1 ARG 83 -3.923 -9.348 -6.958 619 HH12 ARG 83 2HH1 ARG 83 -5.579 -9.677 -7.346 620 HH21 ARG 83 1HH2 ARG 83 -4.845 -11.383 -10.309 621 HH22 ARG 83 2HH2 ARG 83 -6.102 -10.836 -9.252 622 H CYS 84 H CYS 84 1.304 -9.892 -11.063 623 HA CYS 84 HA CYS 84 1.629 -12.725 -11.031 624 HG CYS 84 HG CYS 84 0.603 -12.913 -15.032 625 HB2 CYS 84 1HB CYS 84 0.054 -11.410 -12.522 626 HB3 CYS 84 2HB CYS 84 1.463 -10.962 -13.476 627 H MET 85 H MET 85 3.766 -10.107 -11.472 628 HA MET 85 HA MET 85 5.667 -11.446 -13.146 629 HB2 MET 85 1HB MET 85 6.321 -9.324 -13.374 630 HB3 MET 85 2HB MET 85 5.334 -8.826 -12.007 631 HG2 MET 85 1HG MET 85 7.463 -8.183 -11.385 632 HG3 MET 85 2HG MET 85 7.255 -9.726 -10.560 633 HE1 MET 85 3HE MET 85 11.053 -9.118 -11.859 634 HE2 MET 85 1HE MET 85 9.991 -7.790 -12.330 635 HE3 MET 85 2HE MET 85 9.882 -8.472 -10.707 636 H LYS 86 H LYS 86 5.172 -11.066 -9.697 637 HA LYS 86 HA LYS 86 7.716 -12.096 -8.917 638 HB2 LYS 86 1HB LYS 86 5.237 -11.241 -7.589 639 HB3 LYS 86 2HB LYS 86 6.086 -12.538 -6.759 640 HG2 LYS 86 1HG LYS 86 6.806 -10.431 -5.873 641 HG3 LYS 86 2HG LYS 86 8.136 -11.158 -6.778 642 HD2 LYS 86 1HD LYS 86 6.505 -9.501 -8.488 643 HD3 LYS 86 2HD LYS 86 7.083 -8.591 -7.091 644 HE2 LYS 86 1HE LYS 86 8.950 -10.314 -8.676 645 HE3 LYS 86 2HE LYS 86 8.542 -8.690 -9.226 646 HZ1 LYS 86 3HZ LYS 86 10.552 -8.669 -7.907 647 HZ2 LYS 86 1HZ LYS 86 9.748 -9.387 -6.603 648 HZ3 LYS 86 2HZ LYS 86 9.327 -7.826 -7.100 649 H ASP 87 H ASP 87 5.056 -13.546 -10.302 650 HA ASP 87 HA ASP 87 5.109 -16.045 -8.896 651 HB2 ASP 87 1HB ASP 87 3.115 -15.140 -10.139 652 HB3 ASP 87 2HB ASP 87 3.966 -15.496 -11.639 653 H ASP 88 H ASP 88 6.038 -15.139 -12.221 654 HA ASP 88 HA ASP 88 8.290 -16.990 -12.058 655 HB2 ASP 88 1HB ASP 88 6.174 -18.093 -13.082 656 HB3 ASP 88 2HB ASP 88 6.520 -17.085 -14.484 657 H SER 89 H SER 89 10.057 -16.315 -13.156 658 HA SER 89 HA SER 89 9.944 -13.664 -14.326 659 HG SER 89 HG SER 89 13.380 -15.704 -13.553 660 HB2 SER 89 1HB SER 89 12.430 -13.886 -14.415 661 HB3 SER 89 2HB SER 89 11.767 -14.128 -12.799 Start of MODEL 26 1 HA MET 1 HA MET 1 3.070 0.075 -1.005 2 H1 MET 1 H MET 1 4.857 2.399 -0.704 3 HB2 MET 1 1HB MET 1 4.163 1.952 -3.097 4 HB3 MET 1 2HB MET 1 3.468 0.387 -3.496 5 HG2 MET 1 1HG MET 1 1.339 1.040 -2.610 6 HG3 MET 1 2HG MET 1 2.010 2.553 -2.005 7 HE1 MET 1 3HE MET 1 2.880 4.666 -4.348 8 HE2 MET 1 1HE MET 1 1.137 4.935 -4.352 9 HE3 MET 1 2HE MET 1 1.950 4.446 -2.865 10 H ASP 2 H ASP 2 3.971 -1.760 -2.148 11 HA ASP 2 HA ASP 2 6.444 -2.580 -1.183 12 HB2 ASP 2 1HB ASP 2 4.489 -3.590 -3.141 13 HB3 ASP 2 2HB ASP 2 6.139 -4.152 -3.396 14 H ASP 3 H ASP 3 8.399 -1.849 -1.650 15 HA ASP 3 HA ASP 3 8.947 -0.280 -3.967 16 HB2 ASP 3 1HB ASP 3 11.143 -0.030 -3.097 17 HB3 ASP 3 2HB ASP 3 10.071 -0.066 -1.700 18 H ILE 4 H ILE 4 9.195 -3.642 -3.191 19 HA ILE 4 HA ILE 4 11.113 -4.378 -5.144 20 HB ILE 4 HB ILE 4 10.613 -5.871 -3.302 21 HG12 ILE 4 1HG1 ILE 4 9.524 -7.513 -5.497 22 HG13 ILE 4 2HG1 ILE 4 10.992 -6.627 -5.893 23 HG21 ILE 4 1HG2 ILE 4 8.473 -7.075 -3.180 24 HG22 ILE 4 2HG2 ILE 4 8.270 -5.335 -2.983 25 HG23 ILE 4 3HG2 ILE 4 7.863 -6.101 -4.518 26 HD11 ILE 4 3HD1 ILE 4 10.577 -8.894 -4.060 27 HD12 ILE 4 1HD1 ILE 4 11.958 -8.489 -5.079 28 HD13 ILE 4 2HD1 ILE 4 11.725 -7.660 -3.540 29 H TYR 5 H TYR 5 7.641 -3.928 -5.215 30 HA TYR 5 HA TYR 5 7.367 -5.074 -7.856 31 HD1 TYR 5 HD1 TYR 5 6.464 -6.838 -7.612 32 HD2 TYR 5 HD2 TYR 5 4.153 -4.932 -4.590 33 HE1 TYR 5 HE1 TYR 5 5.974 -9.031 -6.611 34 HE2 TYR 5 HE2 TYR 5 3.658 -7.119 -3.581 35 HH TYR 5 HH TYR 5 3.636 -9.413 -4.077 36 HB2 TYR 5 1HB TYR 5 5.421 -3.625 -6.056 37 HB3 TYR 5 2HB TYR 5 4.997 -4.256 -7.643 38 H LYS 6 H LYS 6 7.315 -1.856 -6.385 39 HA LYS 6 HA LYS 6 6.726 -0.438 -8.763 40 HB2 LYS 6 1HB LYS 6 7.080 1.507 -7.529 41 HB3 LYS 6 2HB LYS 6 6.591 0.346 -6.301 42 HG2 LYS 6 1HG LYS 6 8.382 1.206 -5.233 43 HG3 LYS 6 2HG LYS 6 9.231 -0.016 -6.183 44 HD2 LYS 6 1HD LYS 6 10.202 1.521 -7.540 45 HD3 LYS 6 2HD LYS 6 8.813 2.608 -7.481 46 HE2 LYS 6 1HE LYS 6 10.392 3.803 -6.301 47 HE3 LYS 6 2HE LYS 6 9.542 2.961 -5.006 48 HZ1 LYS 6 3HZ LYS 6 12.005 1.885 -6.250 49 HZ2 LYS 6 1HZ LYS 6 11.278 1.414 -4.796 50 HZ3 LYS 6 2HZ LYS 6 12.042 2.919 -4.911 51 H ALA 7 H ALA 7 9.653 -1.739 -7.431 52 HA ALA 7 HA ALA 7 11.496 -0.155 -8.896 53 HB1 ALA 7 1HB ALA 7 12.912 -2.381 -8.451 54 HB2 ALA 7 2HB ALA 7 12.611 -1.168 -7.207 55 HB3 ALA 7 3HB ALA 7 11.618 -2.624 -7.276 56 H ALA 8 H ALA 8 9.910 -3.248 -9.529 57 HA ALA 8 HA ALA 8 11.321 -3.659 -12.008 58 HB1 ALA 8 1HB ALA 8 8.935 -5.103 -10.859 59 HB2 ALA 8 2HB ALA 8 9.876 -5.617 -12.260 60 HB3 ALA 8 3HB ALA 8 10.626 -5.568 -10.665 61 H VAL 9 H VAL 9 8.168 -2.465 -11.001 62 HA VAL 9 HA VAL 9 7.044 -2.362 -13.618 63 HB VAL 9 HB VAL 9 5.886 -2.269 -11.253 64 HG11 VAL 9 1HG1 VAL 9 7.036 -0.103 -10.703 65 HG12 VAL 9 2HG1 VAL 9 6.011 0.665 -11.918 66 HG13 VAL 9 3HG1 VAL 9 5.285 -0.097 -10.502 67 HG21 VAL 9 3HG2 VAL 9 4.644 -2.484 -13.288 68 HG22 VAL 9 1HG2 VAL 9 3.909 -1.193 -12.336 69 HG23 VAL 9 2HG2 VAL 9 4.943 -0.797 -13.709 70 H GLU 10 H GLU 10 8.983 -0.193 -11.690 71 HA GLU 10 HA GLU 10 8.491 2.146 -13.244 72 HB2 GLU 10 1HB GLU 10 10.454 1.366 -11.131 73 HB3 GLU 10 2HB GLU 10 10.779 2.798 -12.098 74 HG2 GLU 10 1HG GLU 10 8.062 2.822 -11.176 75 HG3 GLU 10 2HG GLU 10 9.170 2.599 -9.824 76 H GLN 11 H GLN 11 10.712 -0.528 -13.461 77 HA GLN 11 HA GLN 11 12.344 0.785 -15.473 78 HB2 GLN 11 1HB GLN 11 13.613 -1.338 -15.487 79 HB3 GLN 11 2HB GLN 11 13.475 -0.644 -13.877 80 HG2 GLN 11 1HG GLN 11 11.728 -2.218 -13.313 81 HG3 GLN 11 2HG GLN 11 11.765 -2.877 -14.947 82 HE21 GLN 11 2HE2 GLN 11 14.332 -1.997 -12.668 83 HE22 GLN 11 1HE2 GLN 11 15.088 -3.550 -12.652 84 H LEU 12 H LEU 12 9.381 -0.246 -15.670 85 HA LEU 12 HA LEU 12 9.422 -2.173 -17.765 86 HG LEU 12 HG LEU 12 7.802 -2.458 -15.392 87 HB2 LEU 12 1HB LEU 12 7.329 -0.359 -16.625 88 HB3 LEU 12 2HB LEU 12 7.006 -1.316 -18.069 89 HD11 LEU 12 1HD1 LEU 12 5.083 -2.597 -16.654 90 HD12 LEU 12 2HD1 LEU 12 5.534 -1.302 -15.545 91 HD13 LEU 12 3HD1 LEU 12 5.555 -2.978 -14.997 92 HD21 LEU 12 3HD2 LEU 12 7.129 -4.586 -16.382 93 HD22 LEU 12 1HD2 LEU 12 8.446 -3.847 -17.294 94 HD23 LEU 12 2HD2 LEU 12 6.796 -3.775 -17.913 95 H THR 13 H THR 13 8.024 -1.514 -19.828 96 HA THR 13 HA THR 13 9.485 0.719 -21.055 97 HB THR 13 HB THR 13 9.839 -1.348 -22.228 98 HG1 THR 13 HG1 THR 13 8.933 -0.739 -24.286 99 HG21 THR 13 3HG2 THR 13 7.294 -1.970 -23.295 100 HG22 THR 13 1HG2 THR 13 7.107 -1.837 -21.547 101 HG23 THR 13 2HG2 THR 13 8.294 -2.952 -22.224 102 H GLU 14 H GLU 14 8.324 2.026 -22.666 103 HA GLU 14 HA GLU 14 6.087 3.278 -21.642 104 HB2 GLU 14 1HB GLU 14 6.793 3.117 -24.575 105 HB3 GLU 14 2HB GLU 14 5.862 4.379 -23.782 106 HG2 GLU 14 1HG GLU 14 8.038 4.666 -22.358 107 HG3 GLU 14 2HG GLU 14 8.793 3.874 -23.740 108 H GLU 15 H GLU 15 6.286 0.540 -23.835 109 HA GLU 15 HA GLU 15 3.569 0.471 -24.593 110 HB2 GLU 15 1HB GLU 15 5.835 -1.469 -24.641 111 HB3 GLU 15 2HB GLU 15 4.207 -2.087 -24.881 112 HG2 GLU 15 1HG GLU 15 3.919 -0.462 -26.731 113 HG3 GLU 15 2HG GLU 15 5.608 0.000 -26.533 114 H GLN 16 H GLN 16 5.345 -1.084 -21.955 115 HA GLN 16 HA GLN 16 3.247 -2.667 -20.976 116 HB2 GLN 16 1HB GLN 16 5.705 -1.507 -19.686 117 HB3 GLN 16 2HB GLN 16 4.562 -2.485 -18.774 118 HG2 GLN 16 1HG GLN 16 5.650 -3.550 -21.330 119 HG3 GLN 16 2HG GLN 16 6.670 -3.557 -19.892 120 HE21 GLN 16 2HE2 GLN 16 5.541 -5.783 -21.408 121 HE22 GLN 16 1HE2 GLN 16 4.612 -6.705 -20.281 122 H LYS 17 H LYS 17 4.443 0.437 -19.682 123 HA LYS 17 HA LYS 17 2.399 0.843 -17.836 124 HB2 LYS 17 1HB LYS 17 4.660 2.224 -18.644 125 HB3 LYS 17 2HB LYS 17 3.347 3.318 -19.059 126 HG2 LYS 17 1HG LYS 17 3.760 3.990 -16.926 127 HG3 LYS 17 2HG LYS 17 2.550 2.744 -16.615 128 HD2 LYS 17 1HD LYS 17 4.263 1.145 -16.066 129 HD3 LYS 17 2HD LYS 17 5.530 2.279 -16.542 130 HE2 LYS 17 1HE LYS 17 5.477 3.320 -14.566 131 HE3 LYS 17 2HE LYS 17 3.716 3.389 -14.557 132 HZ1 LYS 17 3HZ LYS 17 3.717 1.046 -13.832 133 HZ2 LYS 17 1HZ LYS 17 4.463 2.078 -12.718 134 HZ3 LYS 17 2HZ LYS 17 5.404 1.095 -13.721 135 H ASN 18 H ASN 18 2.581 1.685 -21.255 136 HA ASN 18 HA ASN 18 0.223 3.238 -21.349 137 HB2 ASN 18 1HB ASN 18 1.693 3.508 -23.169 138 HB3 ASN 18 2HB ASN 18 1.823 1.772 -23.434 139 HD21 ASN 18 2HD2 ASN 18 0.822 1.107 -25.175 140 HD22 ASN 18 1HD2 ASN 18 -0.618 1.782 -25.851 141 H GLU 19 H GLU 19 0.845 -0.206 -21.682 142 HA GLU 19 HA GLU 19 -1.712 -0.939 -22.638 143 HB2 GLU 19 1HB GLU 19 0.590 -2.370 -21.402 144 HB3 GLU 19 2HB GLU 19 -0.962 -3.194 -21.443 145 HG2 GLU 19 1HG GLU 19 -0.942 -2.528 -23.957 146 HG3 GLU 19 2HG GLU 19 0.792 -2.352 -23.700 147 H PHE 20 H PHE 20 -0.352 -0.671 -19.387 148 HA PHE 20 HA PHE 20 -2.587 -1.729 -18.016 149 HD1 PHE 20 HD1 PHE 20 -1.441 -3.297 -17.614 150 HD2 PHE 20 HD2 PHE 20 1.549 -0.634 -16.171 151 HE1 PHE 20 HE1 PHE 20 0.172 -5.153 -17.540 152 HE2 PHE 20 HE2 PHE 20 3.167 -2.485 -16.096 153 HZ PHE 20 HZ PHE 20 2.480 -4.749 -16.782 154 HB2 PHE 20 1HB PHE 20 -0.485 0.213 -17.031 155 HB3 PHE 20 2HB PHE 20 -1.589 -0.706 -16.012 156 H LYS 21 H LYS 21 -1.620 1.590 -18.804 157 HA LYS 21 HA LYS 21 -3.864 2.801 -17.531 158 HB2 LYS 21 1HB LYS 21 -1.530 3.792 -18.291 159 HB3 LYS 21 2HB LYS 21 -2.417 4.155 -19.766 160 HG2 LYS 21 1HG LYS 21 -3.853 5.629 -18.690 161 HG3 LYS 21 2HG LYS 21 -3.494 4.965 -17.094 162 HD2 LYS 21 1HD LYS 21 -1.152 5.835 -17.371 163 HD3 LYS 21 2HD LYS 21 -1.708 6.669 -18.825 164 HE2 LYS 21 1HE LYS 21 -3.138 8.070 -17.609 165 HE3 LYS 21 2HE LYS 21 -3.087 7.033 -16.185 166 HZ1 LYS 21 3HZ LYS 21 -1.130 7.904 -15.505 167 HZ2 LYS 21 1HZ LYS 21 -1.676 9.247 -16.378 168 HZ3 LYS 21 2HZ LYS 21 -0.560 8.183 -17.073 169 H ALA 22 H ALA 22 -3.173 1.690 -20.792 170 HA ALA 22 HA ALA 22 -5.491 2.849 -21.986 171 HB1 ALA 22 1HB ALA 22 -3.889 0.511 -23.008 172 HB2 ALA 22 2HB ALA 22 -4.918 1.600 -23.940 173 HB3 ALA 22 3HB ALA 22 -3.422 2.199 -23.224 174 H ALA 23 H ALA 23 -4.762 -0.226 -20.462 175 HA ALA 23 HA ALA 23 -7.291 -1.401 -21.234 176 HB1 ALA 23 1HB ALA 23 -5.485 -2.566 -19.156 177 HB2 ALA 23 2HB ALA 23 -6.518 -3.383 -20.330 178 HB3 ALA 23 3HB ALA 23 -5.025 -2.607 -20.859 179 H PHE 24 H PHE 24 -5.878 0.166 -18.438 180 HA PHE 24 HA PHE 24 -7.811 -0.572 -16.530 181 HD1 PHE 24 HD2 PHE 24 -7.114 -0.274 -13.876 182 HD2 PHE 24 HD1 PHE 24 -7.243 3.602 -15.629 183 HE1 PHE 24 HE2 PHE 24 -8.144 0.615 -11.826 184 HE2 PHE 24 HE1 PHE 24 -8.272 4.498 -13.581 185 HZ PHE 24 HZ PHE 24 -8.724 3.004 -11.676 186 HB2 PHE 24 1HB PHE 24 -5.689 0.386 -15.848 187 HB3 PHE 24 2HB PHE 24 -6.059 1.888 -16.690 188 H ASP 25 H ASP 25 -7.796 1.835 -19.038 189 HA ASP 25 HA ASP 25 -9.860 3.492 -18.078 190 HB2 ASP 25 1HB ASP 25 -8.293 4.029 -19.969 191 HB3 ASP 25 2HB ASP 25 -9.217 2.917 -20.975 192 H ILE 26 H ILE 26 -9.903 0.575 -20.073 193 HA ILE 26 HA ILE 26 -12.667 0.621 -20.660 194 HB ILE 26 HB ILE 26 -10.769 -1.725 -20.543 195 HG12 ILE 26 1HG1 ILE 26 -11.422 -1.171 -23.186 196 HG13 ILE 26 2HG1 ILE 26 -11.219 0.421 -22.463 197 HG21 ILE 26 1HG2 ILE 26 -13.056 -2.491 -20.360 198 HG22 ILE 26 2HG2 ILE 26 -13.524 -1.506 -21.745 199 HG23 ILE 26 3HG2 ILE 26 -12.427 -2.870 -21.963 200 HD11 ILE 26 3HD1 ILE 26 -9.120 -0.166 -23.316 201 HD12 ILE 26 1HD1 ILE 26 -9.005 -0.425 -21.576 202 HD13 ILE 26 2HD1 ILE 26 -9.218 -1.800 -22.661 203 H PHE 27 H PHE 27 -10.795 -0.817 -18.036 204 HA PHE 27 HA PHE 27 -12.859 -2.324 -16.873 205 HD1 PHE 27 HD2 PHE 27 -12.149 -4.320 -15.209 206 HD2 PHE 27 HD1 PHE 27 -8.804 -2.483 -17.094 207 HE1 PHE 27 HE2 PHE 27 -11.259 -6.540 -15.784 208 HE2 PHE 27 HE1 PHE 27 -7.908 -4.701 -17.672 209 HZ PHE 27 HZ PHE 27 -9.135 -6.733 -17.016 210 HB2 PHE 27 1HB PHE 27 -10.279 -1.182 -15.860 211 HB3 PHE 27 2HB PHE 27 -11.407 -1.926 -14.731 212 H VAL 28 H VAL 28 -11.666 0.933 -16.068 213 HA VAL 28 HA VAL 28 -13.878 1.378 -14.252 214 HB VAL 28 HB VAL 28 -12.873 3.483 -13.739 215 HG11 VAL 28 1HG1 VAL 28 -11.165 2.606 -12.589 216 HG12 VAL 28 2HG1 VAL 28 -11.612 1.082 -13.359 217 HG13 VAL 28 3HG1 VAL 28 -10.331 2.078 -14.051 218 HG21 VAL 28 3HG2 VAL 28 -12.116 4.633 -15.515 219 HG22 VAL 28 1HG2 VAL 28 -10.588 3.817 -15.183 220 HG23 VAL 28 2HG2 VAL 28 -11.686 3.171 -16.403 221 H LEU 29 H LEU 29 -13.741 1.325 -17.472 222 HA LEU 29 HA LEU 29 -14.852 3.785 -18.287 223 HG LEU 29 HG LEU 29 -16.479 0.716 -19.306 224 HB2 LEU 29 1HB LEU 29 -14.716 2.894 -20.319 225 HB3 LEU 29 2HB LEU 29 -13.974 1.501 -19.534 226 HD11 LEU 29 1HD1 LEU 29 -18.019 1.658 -20.642 227 HD12 LEU 29 2HD1 LEU 29 -16.862 1.966 -21.937 228 HD13 LEU 29 3HD1 LEU 29 -16.958 3.065 -20.561 229 HD21 LEU 29 3HD2 LEU 29 -15.297 -0.788 -20.492 230 HD22 LEU 29 1HD2 LEU 29 -14.468 0.449 -21.437 231 HD23 LEU 29 2HD2 LEU 29 -16.104 -0.044 -21.872 232 H GLY 30 H GLY 30 -16.195 1.071 -16.662 233 HA2 GLY 30 1HA GLY 30 -18.936 1.736 -17.391 234 HA3 GLY 30 2HA GLY 30 -18.424 0.407 -16.362 235 H ALA 31 H ALA 31 -16.714 2.287 -14.776 236 HA ALA 31 HA ALA 31 -18.690 2.960 -12.823 237 HB1 ALA 31 1HB ALA 31 -15.720 3.225 -13.001 238 HB2 ALA 31 2HB ALA 31 -16.604 4.072 -11.730 239 HB3 ALA 31 3HB ALA 31 -16.701 2.316 -11.850 240 H GLU 32 H GLU 32 -18.337 5.252 -11.724 241 HA GLU 32 HA GLU 32 -18.769 7.226 -13.861 242 HB2 GLU 32 1HB GLU 32 -19.812 7.028 -11.045 243 HB3 GLU 32 2HB GLU 32 -19.880 8.534 -11.948 244 HG2 GLU 32 1HG GLU 32 -21.069 7.151 -13.758 245 HG3 GLU 32 2HG GLU 32 -21.301 5.958 -12.481 246 H ASP 33 H ASP 33 -17.017 6.583 -10.892 247 HA ASP 33 HA ASP 33 -15.701 9.181 -10.990 248 HB2 ASP 33 1HB ASP 33 -15.347 6.894 -9.039 249 HB3 ASP 33 2HB ASP 33 -14.658 8.507 -8.876 250 H GLY 34 H GLY 34 -15.047 5.798 -11.618 251 HA2 GLY 34 1HA GLY 34 -13.369 5.378 -13.373 252 HA3 GLY 34 2HA GLY 34 -12.361 6.577 -12.576 253 H CYS 35 H CYS 35 -14.227 3.835 -11.288 254 HA CYS 35 HA CYS 35 -11.724 2.559 -10.468 255 HG CYS 35 HG CYS 35 -12.261 4.656 -6.983 256 HB2 CYS 35 1HB CYS 35 -14.023 2.943 -8.546 257 HB3 CYS 35 2HB CYS 35 -12.436 2.268 -8.194 258 H ILE 36 H ILE 36 -12.320 0.359 -9.359 259 HA ILE 36 HA ILE 36 -14.487 -0.886 -10.922 260 HB ILE 36 HB ILE 36 -11.849 -2.164 -10.191 261 HG12 ILE 36 1HG1 ILE 36 -12.413 -1.948 -13.020 262 HG13 ILE 36 2HG1 ILE 36 -12.426 -0.359 -12.263 263 HG21 ILE 36 1HG2 ILE 36 -12.809 -3.803 -12.015 264 HG22 ILE 36 2HG2 ILE 36 -13.263 -3.957 -10.319 265 HG23 ILE 36 3HG2 ILE 36 -14.352 -3.160 -11.454 266 HD11 ILE 36 3HD1 ILE 36 -10.178 -2.189 -11.634 267 HD12 ILE 36 1HD1 ILE 36 -10.221 -1.422 -13.222 268 HD13 ILE 36 2HD1 ILE 36 -10.209 -0.430 -11.763 269 H SER 37 H SER 37 -16.027 -1.736 -9.703 270 HA SER 37 HA SER 37 -15.547 -2.190 -6.870 271 HG SER 37 HG SER 37 -17.893 -2.497 -5.737 272 HB2 SER 37 1HB SER 37 -17.569 -1.005 -7.376 273 HB3 SER 37 2HB SER 37 -18.059 -2.224 -8.553 274 H THR 38 H THR 38 -15.490 -4.134 -5.884 275 HA THR 38 HA THR 38 -14.733 -6.427 -7.177 276 HB THR 38 HB THR 38 -14.395 -6.436 -4.863 277 HG1 THR 38 HG1 THR 38 -15.892 -8.228 -4.148 278 HG21 THR 38 3HG2 THR 38 -15.743 -5.090 -3.677 279 HG22 THR 38 1HG2 THR 38 -16.787 -6.501 -3.513 280 HG23 THR 38 2HG2 THR 38 -17.095 -5.320 -4.785 281 H LYS 39 H LYS 39 -17.982 -5.262 -6.579 282 HA LYS 39 HA LYS 39 -19.365 -7.646 -7.201 283 HB2 LYS 39 1HB LYS 39 -20.430 -5.792 -6.013 284 HB3 LYS 39 2HB LYS 39 -20.263 -4.768 -7.433 285 HG2 LYS 39 1HG LYS 39 -21.729 -6.340 -8.673 286 HG3 LYS 39 2HG LYS 39 -21.976 -7.228 -7.167 287 HD2 LYS 39 1HD LYS 39 -22.902 -5.203 -6.136 288 HD3 LYS 39 2HD LYS 39 -22.669 -4.330 -7.652 289 HE2 LYS 39 1HE LYS 39 -24.891 -4.936 -7.791 290 HE3 LYS 39 2HE LYS 39 -24.104 -6.251 -8.663 291 HZ1 LYS 39 3HZ LYS 39 -24.819 -7.720 -7.177 292 HZ2 LYS 39 1HZ LYS 39 -25.819 -6.507 -6.552 293 HZ3 LYS 39 2HZ LYS 39 -24.299 -6.786 -5.866 294 H GLU 40 H GLU 40 -18.414 -4.855 -9.171 295 HA GLU 40 HA GLU 40 -19.569 -5.938 -11.567 296 HB2 GLU 40 1HB GLU 40 -17.528 -3.726 -11.414 297 HB3 GLU 40 2HB GLU 40 -18.727 -4.006 -12.668 298 HG2 GLU 40 1HG GLU 40 -19.370 -3.243 -9.830 299 HG3 GLU 40 2HG GLU 40 -19.269 -2.113 -11.180 300 H LEU 41 H LEU 41 -16.432 -5.952 -10.033 301 HA LEU 41 HA LEU 41 -14.874 -6.744 -12.235 302 HG LEU 41 HG LEU 41 -12.992 -8.783 -10.213 303 HB2 LEU 41 1HB LEU 41 -13.862 -5.912 -10.211 304 HB3 LEU 41 2HB LEU 41 -14.520 -7.261 -9.287 305 HD11 LEU 41 1HD1 LEU 41 -11.360 -7.631 -12.031 306 HD12 LEU 41 2HD1 LEU 41 -12.888 -6.839 -12.415 307 HD13 LEU 41 3HD1 LEU 41 -12.776 -8.598 -12.442 308 HD21 LEU 41 3HD2 LEU 41 -11.877 -7.496 -8.581 309 HD22 LEU 41 1HD2 LEU 41 -11.680 -6.130 -9.680 310 HD23 LEU 41 2HD2 LEU 41 -10.761 -7.613 -9.943 311 H GLY 42 H GLY 42 -16.839 -8.566 -9.958 312 HA2 GLY 42 1HA GLY 42 -15.895 -11.137 -10.789 313 HA3 GLY 42 2HA GLY 42 -17.323 -10.816 -9.815 314 H LYS 43 H LYS 43 -18.458 -9.001 -11.836 315 HA LYS 43 HA LYS 43 -19.948 -10.917 -13.296 316 HB2 LYS 43 1HB LYS 43 -19.982 -8.048 -12.881 317 HB3 LYS 43 2HB LYS 43 -20.321 -8.451 -14.559 318 HG2 LYS 43 1HG LYS 43 -21.976 -10.177 -13.487 319 HG3 LYS 43 2HG LYS 43 -21.876 -9.086 -12.103 320 HD2 LYS 43 1HD LYS 43 -23.321 -7.713 -13.086 321 HD3 LYS 43 2HD LYS 43 -22.202 -7.503 -14.436 322 HE2 LYS 43 1HE LYS 43 -23.936 -9.933 -14.303 323 HE3 LYS 43 2HE LYS 43 -24.616 -8.404 -14.857 324 HZ1 LYS 43 3HZ LYS 43 -22.698 -8.335 -16.466 325 HZ2 LYS 43 1HZ LYS 43 -23.868 -9.520 -16.766 326 HZ3 LYS 43 2HZ LYS 43 -22.393 -9.948 -16.058 327 H VAL 44 H VAL 44 -17.490 -8.546 -14.294 328 HA VAL 44 HA VAL 44 -17.456 -9.077 -17.013 329 HB VAL 44 HB VAL 44 -15.117 -8.337 -15.249 330 HG11 VAL 44 1HG1 VAL 44 -15.402 -8.672 -18.176 331 HG12 VAL 44 2HG1 VAL 44 -14.497 -7.265 -17.615 332 HG13 VAL 44 3HG1 VAL 44 -13.991 -8.886 -17.140 333 HG21 VAL 44 3HG2 VAL 44 -16.801 -6.518 -16.956 334 HG22 VAL 44 1HG2 VAL 44 -17.142 -6.822 -15.252 335 HG23 VAL 44 2HG2 VAL 44 -15.617 -6.073 -15.727 336 H MET 45 H MET 45 -16.160 -10.932 -14.371 337 HA MET 45 HA MET 45 -14.248 -12.490 -15.598 338 HB2 MET 45 1HB MET 45 -16.282 -13.523 -13.619 339 HB3 MET 45 2HB MET 45 -14.664 -14.150 -13.902 340 HG2 MET 45 1HG MET 45 -15.397 -11.503 -12.680 341 HG3 MET 45 2HG MET 45 -14.672 -12.890 -11.871 342 HE1 MET 45 3HE MET 45 -12.299 -13.949 -13.051 343 HE2 MET 45 1HE MET 45 -12.819 -13.537 -14.685 344 HE3 MET 45 2HE MET 45 -11.266 -12.958 -14.083 345 H ARG 46 H ARG 46 -17.731 -12.661 -15.873 346 HA ARG 46 HA ARG 46 -17.990 -15.206 -17.000 347 HE ARG 46 HE ARG 46 -22.513 -15.816 -14.943 348 HB2 ARG 46 1HB ARG 46 -19.637 -12.713 -17.455 349 HB3 ARG 46 2HB ARG 46 -20.108 -14.324 -17.981 350 HG2 ARG 46 1HG ARG 46 -19.777 -14.926 -15.461 351 HG3 ARG 46 2HG ARG 46 -19.982 -13.188 -15.231 352 HD2 ARG 46 1HD ARG 46 -22.153 -13.211 -16.081 353 HD3 ARG 46 2HD ARG 46 -21.921 -14.762 -16.886 354 HH11 ARG 46 1HH1 ARG 46 -21.754 -12.491 -14.248 355 HH12 ARG 46 2HH1 ARG 46 -22.296 -12.574 -12.605 356 HH21 ARG 46 1HH2 ARG 46 -23.229 -15.939 -12.781 357 HH22 ARG 46 2HH2 ARG 46 -23.134 -14.537 -11.771 358 H MET 47 H MET 47 -17.450 -12.057 -18.545 359 HA MET 47 HA MET 47 -17.523 -12.979 -21.203 360 HB2 MET 47 1HB MET 47 -15.959 -10.627 -20.129 361 HB3 MET 47 2HB MET 47 -16.479 -10.872 -21.791 362 HG2 MET 47 1HG MET 47 -18.433 -10.664 -19.527 363 HG3 MET 47 2HG MET 47 -17.812 -9.246 -20.368 364 HE1 MET 47 3HE MET 47 -21.167 -11.786 -21.067 365 HE2 MET 47 1HE MET 47 -20.457 -10.893 -19.722 366 HE3 MET 47 2HE MET 47 -21.445 -10.051 -20.914 367 H LEU 48 H LEU 48 -15.024 -12.999 -18.778 368 HA LEU 48 HA LEU 48 -12.862 -13.510 -20.583 369 HG LEU 48 HG LEU 48 -13.284 -11.557 -18.203 370 HB2 LEU 48 1HB LEU 48 -13.068 -13.956 -17.609 371 HB3 LEU 48 2HB LEU 48 -11.582 -14.023 -18.554 372 HD11 LEU 48 1HD1 LEU 48 -12.396 -11.928 -16.084 373 HD12 LEU 48 2HD1 LEU 48 -11.224 -10.850 -16.842 374 HD13 LEU 48 3HD1 LEU 48 -10.885 -12.577 -16.724 375 HD21 LEU 48 3HD2 LEU 48 -10.637 -12.084 -19.529 376 HD22 LEU 48 1HD2 LEU 48 -11.153 -10.471 -19.038 377 HD23 LEU 48 2HD2 LEU 48 -12.092 -11.371 -20.229 378 H GLY 49 H GLY 49 -15.254 -15.434 -18.986 379 HA2 GLY 49 1HA GLY 49 -15.684 -17.629 -19.982 380 HA3 GLY 49 2HA GLY 49 -13.943 -17.856 -20.056 381 H GLN 50 H GLN 50 -15.006 -16.325 -17.216 382 HA GLN 50 HA GLN 50 -15.118 -18.874 -15.762 383 HB2 GLN 50 1HB GLN 50 -13.413 -16.482 -15.064 384 HB3 GLN 50 2HB GLN 50 -13.732 -17.811 -13.957 385 HG2 GLN 50 1HG GLN 50 -12.571 -19.351 -15.329 386 HG3 GLN 50 2HG GLN 50 -12.477 -18.196 -16.658 387 HE21 GLN 50 2HE2 GLN 50 -11.761 -17.995 -13.189 388 HE22 GLN 50 1HE2 GLN 50 -10.141 -17.427 -13.382 389 H ASN 51 H ASN 51 -16.258 -18.820 -13.779 390 HA ASN 51 HA ASN 51 -17.761 -16.371 -13.205 391 HB2 ASN 51 1HB ASN 51 -19.838 -17.755 -12.923 392 HB3 ASN 51 2HB ASN 51 -19.279 -17.617 -14.587 393 HD21 ASN 51 2HD2 ASN 51 -18.215 -19.411 -15.540 394 HD22 ASN 51 1HD2 ASN 51 -18.490 -21.012 -14.951 395 HA PRO 52 HA PRO 52 -16.034 -18.580 -9.450 396 HB2 PRO 52 1HB PRO 52 -14.631 -16.454 -8.509 397 HB3 PRO 52 2HB PRO 52 -13.958 -17.617 -9.657 398 HG2 PRO 52 1HG PRO 52 -15.121 -14.907 -10.169 399 HG3 PRO 52 2HG PRO 52 -13.663 -15.647 -10.856 400 HD2 PRO 52 1HD PRO 52 -16.012 -15.539 -12.197 401 HD3 PRO 52 2HD PRO 52 -14.860 -16.874 -12.397 402 H THR 53 H THR 53 -15.853 -17.184 -7.157 403 HA THR 53 HA THR 53 -18.611 -16.326 -6.731 404 HB THR 53 HB THR 53 -16.885 -17.897 -5.219 405 HG1 THR 53 HG1 THR 53 -19.071 -18.136 -5.032 406 HG21 THR 53 3HG2 THR 53 -16.570 -16.729 -3.129 407 HG22 THR 53 1HG2 THR 53 -17.353 -15.287 -3.774 408 HG23 THR 53 2HG2 THR 53 -15.798 -15.810 -4.421 409 HA PRO 54 HA PRO 54 -17.727 -12.053 -6.251 410 HB2 PRO 54 1HB PRO 54 -19.449 -11.360 -4.270 411 HB3 PRO 54 2HB PRO 54 -19.978 -11.740 -5.914 412 HG2 PRO 54 1HG PRO 54 -19.986 -13.473 -3.473 413 HG3 PRO 54 2HG PRO 54 -21.237 -13.285 -4.715 414 HD2 PRO 54 1HD PRO 54 -19.526 -15.383 -4.678 415 HD3 PRO 54 2HD PRO 54 -20.168 -14.701 -6.186 416 H GLU 55 H GLU 55 -18.097 -13.662 -3.085 417 HA GLU 55 HA GLU 55 -16.713 -11.888 -1.506 418 HB2 GLU 55 1HB GLU 55 -16.848 -14.899 -1.346 419 HB3 GLU 55 2HB GLU 55 -16.131 -13.900 -0.089 420 HG2 GLU 55 1HG GLU 55 -18.419 -12.674 -0.124 421 HG3 GLU 55 2HG GLU 55 -18.988 -14.146 -0.908 422 H GLU 56 H GLU 56 -15.470 -14.082 -3.880 423 HA GLU 56 HA GLU 56 -12.780 -14.158 -2.973 424 HB2 GLU 56 1HB GLU 56 -14.275 -15.024 -5.350 425 HB3 GLU 56 2HB GLU 56 -12.607 -14.573 -5.676 426 HG2 GLU 56 1HG GLU 56 -11.779 -16.197 -4.160 427 HG3 GLU 56 2HG GLU 56 -13.392 -16.513 -3.521 428 H LEU 57 H LEU 57 -14.434 -12.222 -5.454 429 HA LEU 57 HA LEU 57 -12.297 -10.774 -6.422 430 HG LEU 57 HG LEU 57 -15.149 -9.943 -8.548 431 HB2 LEU 57 1HB LEU 57 -15.175 -10.025 -6.009 432 HB3 LEU 57 2HB LEU 57 -14.025 -8.925 -6.767 433 HD11 LEU 57 1HD1 LEU 57 -12.925 -11.881 -8.534 434 HD12 LEU 57 2HD1 LEU 57 -12.486 -10.185 -8.334 435 HD13 LEU 57 3HD1 LEU 57 -13.398 -10.697 -9.754 436 HD21 LEU 57 3HD2 LEU 57 -14.636 -12.747 -7.834 437 HD22 LEU 57 1HD2 LEU 57 -16.062 -11.997 -8.552 438 HD23 LEU 57 2HD2 LEU 57 -15.805 -11.912 -6.809 439 H GLN 58 H GLN 58 -14.460 -9.810 -3.754 440 HA GLN 58 HA GLN 58 -13.032 -7.501 -3.039 441 HB2 GLN 58 1HB GLN 58 -15.242 -7.675 -2.233 442 HB3 GLN 58 2HB GLN 58 -14.955 -9.267 -1.544 443 HG2 GLN 58 1HG GLN 58 -14.068 -8.441 0.353 444 HG3 GLN 58 2HG GLN 58 -13.303 -7.080 -0.467 445 HE21 GLN 58 2HE2 GLN 58 -14.456 -5.187 -0.774 446 HE22 GLN 58 1HE2 GLN 58 -15.931 -4.854 0.062 447 H GLU 59 H GLU 59 -12.495 -10.852 -2.354 448 HA GLU 59 HA GLU 59 -10.932 -10.638 -0.034 449 HB2 GLU 59 1HB GLU 59 -11.886 -12.734 -1.255 450 HB3 GLU 59 2HB GLU 59 -10.371 -12.694 -2.146 451 HG2 GLU 59 1HG GLU 59 -9.129 -12.858 -0.053 452 HG3 GLU 59 2HG GLU 59 -10.645 -12.889 0.846 453 H MET 60 H MET 60 -9.893 -10.889 -3.437 454 HA MET 60 HA MET 60 -7.153 -10.411 -2.850 455 HB2 MET 60 1HB MET 60 -6.920 -10.128 -5.306 456 HB3 MET 60 2HB MET 60 -7.756 -11.608 -4.857 457 HG2 MET 60 1HG MET 60 -9.900 -10.550 -5.357 458 HG3 MET 60 2HG MET 60 -9.060 -9.069 -5.810 459 HE1 MET 60 3HE MET 60 -9.594 -12.760 -6.422 460 HE2 MET 60 1HE MET 60 -9.102 -13.043 -8.092 461 HE3 MET 60 2HE MET 60 -7.881 -12.870 -6.831 462 H ILE 61 H ILE 61 -9.845 -8.363 -3.825 463 HA ILE 61 HA ILE 61 -8.358 -6.032 -4.378 464 HB ILE 61 HB ILE 61 -11.223 -6.374 -3.499 465 HG12 ILE 61 1HG1 ILE 61 -10.049 -5.692 -6.202 466 HG13 ILE 61 2HG1 ILE 61 -10.554 -7.307 -5.718 467 HG21 ILE 61 1HG2 ILE 61 -9.608 -3.945 -3.941 468 HG22 ILE 61 2HG2 ILE 61 -11.208 -3.963 -4.680 469 HG23 ILE 61 3HG2 ILE 61 -11.038 -4.192 -2.940 470 HD11 ILE 61 3HD1 ILE 61 -12.108 -5.548 -7.046 471 HD12 ILE 61 1HD1 ILE 61 -12.723 -6.855 -6.035 472 HD13 ILE 61 2HD1 ILE 61 -12.587 -5.223 -5.380 473 H ASP 62 H ASP 62 -9.320 -7.529 -1.420 474 HA ASP 62 HA ASP 62 -9.237 -5.271 0.277 475 HB2 ASP 62 1HB ASP 62 -10.280 -7.373 0.969 476 HB3 ASP 62 2HB ASP 62 -8.718 -8.184 0.908 477 H GLU 63 H GLU 63 -6.789 -7.755 -0.444 478 HA GLU 63 HA GLU 63 -4.754 -6.486 1.094 479 HB2 GLU 63 1HB GLU 63 -5.070 -8.926 -0.346 480 HB3 GLU 63 2HB GLU 63 -3.601 -8.144 -0.914 481 HG2 GLU 63 1HG GLU 63 -3.898 -8.139 1.991 482 HG3 GLU 63 2HG GLU 63 -3.792 -9.748 1.278 483 H VAL 64 H VAL 64 -5.979 -6.048 -2.087 484 HA VAL 64 HA VAL 64 -3.611 -4.781 -3.141 485 HB VAL 64 HB VAL 64 -6.431 -4.895 -4.221 486 HG11 VAL 64 1HG1 VAL 64 -5.428 -4.150 -6.345 487 HG12 VAL 64 2HG1 VAL 64 -5.290 -2.934 -5.073 488 HG13 VAL 64 3HG1 VAL 64 -3.890 -3.912 -5.516 489 HG21 VAL 64 3HG2 VAL 64 -4.618 -6.928 -4.021 490 HG22 VAL 64 1HG2 VAL 64 -5.907 -6.833 -5.220 491 HG23 VAL 64 2HG2 VAL 64 -4.279 -6.293 -5.631 492 H ASP 65 H ASP 65 -6.891 -3.662 -2.299 493 HA ASP 65 HA ASP 65 -6.347 -0.920 -2.652 494 HB2 ASP 65 1HB ASP 65 -8.618 -2.200 -2.398 495 HB3 ASP 65 2HB ASP 65 -8.392 -1.878 -0.681 496 H GLU 66 H GLU 66 -4.694 0.007 -1.598 497 HA GLU 66 HA GLU 66 -3.885 -0.711 1.031 498 HB2 GLU 66 1HB GLU 66 -3.216 1.764 -0.572 499 HB3 GLU 66 2HB GLU 66 -2.375 1.219 0.872 500 HG2 GLU 66 1HG GLU 66 -2.505 -0.216 -1.769 501 HG3 GLU 66 2HG GLU 66 -1.116 0.641 -1.103 502 H ASP 67 H ASP 67 -5.999 1.746 -0.291 503 HA ASP 67 HA ASP 67 -6.358 2.945 2.354 504 HB2 ASP 67 1HB ASP 67 -7.821 4.575 1.015 505 HB3 ASP 67 2HB ASP 67 -6.084 4.620 0.722 506 H GLY 68 H GLY 68 -7.690 0.529 0.480 507 HA2 GLY 68 1HA GLY 68 -9.674 -0.629 0.541 508 HA3 GLY 68 2HA GLY 68 -9.736 -0.122 2.223 509 H SER 69 H SER 69 -10.018 1.685 -0.832 510 HA SER 69 HA SER 69 -12.204 3.226 0.211 511 HG SER 69 HG SER 69 -10.002 3.694 -3.104 512 HB2 SER 69 1HB SER 69 -12.234 4.043 -2.271 513 HB3 SER 69 2HB SER 69 -10.871 4.473 -1.238 514 H GLY 70 H GLY 70 -11.994 0.185 -1.139 515 HA2 GLY 70 1HA GLY 70 -13.967 -1.180 -1.274 516 HA3 GLY 70 2HA GLY 70 -14.865 0.240 -1.789 517 H THR 71 H THR 71 -12.219 0.651 -3.493 518 HA THR 71 HA THR 71 -12.761 -1.317 -5.582 519 HB THR 71 HB THR 71 -12.855 0.474 -7.320 520 HG1 THR 71 HG1 THR 71 -13.281 2.202 -5.092 521 HG21 THR 71 3HG2 THR 71 -15.117 0.533 -7.226 522 HG22 THR 71 1HG2 THR 71 -15.139 1.121 -5.564 523 HG23 THR 71 2HG2 THR 71 -14.878 -0.593 -5.889 524 H VAL 72 H VAL 72 -11.204 -0.834 -7.516 525 HA VAL 72 HA VAL 72 -8.543 -0.408 -6.344 526 HB VAL 72 HB VAL 72 -9.362 -2.552 -7.719 527 HG11 VAL 72 1HG1 VAL 72 -8.757 -2.485 -10.015 528 HG12 VAL 72 2HG1 VAL 72 -9.811 -1.100 -9.726 529 HG13 VAL 72 3HG1 VAL 72 -8.067 -0.871 -9.854 530 HG21 VAL 72 3HG2 VAL 72 -6.626 -1.907 -8.475 531 HG22 VAL 72 1HG2 VAL 72 -6.968 -1.567 -6.778 532 HG23 VAL 72 2HG2 VAL 72 -7.238 -3.185 -7.426 533 H ASP 73 H ASP 73 -7.166 1.109 -7.112 534 HA ASP 73 HA ASP 73 -8.224 2.930 -9.161 535 HB2 ASP 73 1HB ASP 73 -7.587 3.727 -6.788 536 HB3 ASP 73 2HB ASP 73 -5.920 3.549 -7.328 537 H PHE 74 H PHE 74 -6.538 4.010 -10.536 538 HA PHE 74 HA PHE 74 -5.230 2.192 -12.143 539 HD1 PHE 74 HD2 PHE 74 -4.123 2.088 -13.798 540 HD2 PHE 74 HD1 PHE 74 -3.118 6.192 -13.281 541 HE1 PHE 74 HE2 PHE 74 -2.408 1.885 -15.550 542 HE2 PHE 74 HE1 PHE 74 -1.402 5.995 -15.033 543 HZ PHE 74 HZ PHE 74 -1.044 3.840 -16.169 544 HB2 PHE 74 1HB PHE 74 -5.724 4.496 -12.833 545 HB3 PHE 74 2HB PHE 74 -4.510 5.099 -11.710 546 H ASP 75 H ASP 75 -4.031 3.899 -9.313 547 HA ASP 75 HA ASP 75 -1.306 3.253 -9.586 548 HB2 ASP 75 1HB ASP 75 -2.772 3.607 -6.969 549 HB3 ASP 75 2HB ASP 75 -1.068 3.912 -7.298 550 H GLU 76 H GLU 76 -3.732 1.752 -7.438 551 HA GLU 76 HA GLU 76 -2.107 -0.424 -6.703 552 HB2 GLU 76 1HB GLU 76 -5.113 -0.124 -6.696 553 HB3 GLU 76 2HB GLU 76 -4.259 -1.474 -5.964 554 HG2 GLU 76 1HG GLU 76 -3.483 -0.229 -4.224 555 HG3 GLU 76 2HG GLU 76 -3.471 1.268 -5.155 556 H TRP 77 H TRP 77 -4.179 0.132 -9.442 557 HA TRP 77 HA TRP 77 -4.448 -2.564 -10.274 558 HD1 TRP 77 HD1 TRP 77 -7.508 -2.412 -11.600 559 HE1 TRP 77 HE1 TRP 77 -7.855 -3.904 -13.669 560 HE3 TRP 77 HE3 TRP 77 -3.130 -1.432 -14.052 561 HZ2 TRP 77 HZ2 TRP 77 -6.458 -4.577 -16.027 562 HZ3 TRP 77 HZ3 TRP 77 -2.712 -2.541 -16.208 563 HH2 TRP 77 HH2 TRP 77 -4.343 -4.081 -17.173 564 HB2 TRP 77 1HB TRP 77 -5.805 -0.501 -11.018 565 HB3 TRP 77 2HB TRP 77 -4.485 -0.206 -12.146 566 H LEU 78 H LEU 78 -2.056 -0.063 -10.891 567 HA LEU 78 HA LEU 78 -0.682 -1.432 -12.962 568 HG LEU 78 HG LEU 78 -1.287 0.939 -13.501 569 HB2 LEU 78 1HB LEU 78 -0.008 0.838 -11.134 570 HB3 LEU 78 2HB LEU 78 1.229 0.137 -12.175 571 HD11 LEU 78 1HD1 LEU 78 -1.339 3.001 -12.678 572 HD12 LEU 78 2HD1 LEU 78 0.205 3.281 -13.482 573 HD13 LEU 78 3HD1 LEU 78 0.170 2.762 -11.797 574 HD21 LEU 78 3HD2 LEU 78 0.039 1.093 -15.317 575 HD22 LEU 78 1HD2 LEU 78 1.126 0.092 -14.354 576 HD23 LEU 78 2HD2 LEU 78 1.364 1.838 -14.420 577 H VAL 79 H VAL 79 -0.015 -1.070 -9.484 578 HA VAL 79 HA VAL 79 2.284 -2.686 -9.429 579 HB VAL 79 HB VAL 79 1.851 -2.896 -6.989 580 HG11 VAL 79 1HG1 VAL 79 2.907 -0.949 -6.862 581 HG12 VAL 79 2HG1 VAL 79 2.377 -0.558 -8.499 582 HG13 VAL 79 3HG1 VAL 79 1.387 -0.092 -7.115 583 HG21 VAL 79 3HG2 VAL 79 -0.057 -1.594 -6.054 584 HG22 VAL 79 1HG2 VAL 79 -0.688 -1.430 -7.693 585 HG23 VAL 79 2HG2 VAL 79 -0.545 -3.027 -6.958 586 H MET 80 H MET 80 -1.140 -3.451 -9.091 587 HA MET 80 HA MET 80 -1.028 -6.031 -8.135 588 HB2 MET 80 1HB MET 80 -3.134 -4.875 -8.467 589 HB3 MET 80 2HB MET 80 -2.897 -4.876 -10.209 590 HG2 MET 80 1HG MET 80 -3.326 -7.146 -10.396 591 HG3 MET 80 2HG MET 80 -3.003 -7.446 -8.690 592 HE1 MET 80 3HE MET 80 -5.040 -4.278 -9.449 593 HE2 MET 80 1HE MET 80 -5.346 -5.181 -10.932 594 HE3 MET 80 2HE MET 80 -6.659 -4.888 -9.792 595 H MET 81 H MET 81 -0.793 -4.963 -11.518 596 HA MET 81 HA MET 81 -0.474 -7.563 -12.596 597 HB2 MET 81 1HB MET 81 -0.892 -5.072 -13.646 598 HB3 MET 81 2HB MET 81 0.785 -5.363 -14.085 599 HG2 MET 81 1HG MET 81 -0.617 -6.085 -15.877 600 HG3 MET 81 2HG MET 81 0.102 -7.502 -15.115 601 HE1 MET 81 3HE MET 81 -4.216 -6.060 -14.820 602 HE2 MET 81 1HE MET 81 -3.229 -5.680 -13.408 603 HE3 MET 81 2HE MET 81 -2.758 -5.083 -14.999 604 H ALA 82 H ALA 82 1.805 -5.093 -11.517 605 HA ALA 82 HA ALA 82 4.179 -6.175 -12.456 606 HB1 ALA 82 1HB ALA 82 3.454 -4.076 -10.785 607 HB2 ALA 82 2HB ALA 82 4.510 -5.089 -9.799 608 HB3 ALA 82 3HB ALA 82 5.079 -4.469 -11.349 609 H ARG 83 H ARG 83 2.255 -7.068 -9.656 610 HA ARG 83 HA ARG 83 4.202 -8.777 -8.478 611 HE ARG 83 HE ARG 83 -1.560 -9.930 -8.569 612 HB2 ARG 83 1HB ARG 83 2.649 -9.159 -6.854 613 HB3 ARG 83 2HB ARG 83 1.936 -7.712 -7.552 614 HG2 ARG 83 1HG ARG 83 0.696 -9.460 -9.077 615 HG3 ARG 83 2HG ARG 83 1.048 -10.540 -7.726 616 HD2 ARG 83 1HD ARG 83 -0.135 -9.147 -6.201 617 HD3 ARG 83 2HD ARG 83 -0.279 -7.859 -7.396 618 HH11 ARG 83 1HH1 ARG 83 -1.819 -8.425 -5.441 619 HH12 ARG 83 2HH1 ARG 83 -3.506 -8.778 -5.266 620 HH21 ARG 83 1HH2 ARG 83 -3.781 -10.401 -8.350 621 HH22 ARG 83 2HH2 ARG 83 -4.621 -9.902 -6.921 622 H CYS 84 H CYS 84 1.952 -9.128 -11.065 623 HA CYS 84 HA CYS 84 1.692 -11.953 -11.016 624 HG CYS 84 HG CYS 84 -0.758 -10.905 -10.885 625 HB2 CYS 84 1HB CYS 84 1.399 -10.039 -13.342 626 HB3 CYS 84 2HB CYS 84 0.841 -11.707 -13.311 627 H MET 85 H MET 85 4.252 -9.897 -11.879 628 HA MET 85 HA MET 85 5.465 -11.540 -13.874 629 HB2 MET 85 1HB MET 85 6.320 -9.177 -12.254 630 HB3 MET 85 2HB MET 85 7.541 -10.111 -13.108 631 HG2 MET 85 1HG MET 85 6.955 -8.345 -14.538 632 HG3 MET 85 2HG MET 85 6.168 -9.780 -15.192 633 HE1 MET 85 3HE MET 85 2.852 -9.261 -15.564 634 HE2 MET 85 1HE MET 85 3.700 -8.030 -16.501 635 HE3 MET 85 2HE MET 85 4.444 -9.608 -16.241 636 H LYS 86 H LYS 86 5.417 -11.527 -10.420 637 HA LYS 86 HA LYS 86 7.820 -13.008 -10.011 638 HB2 LYS 86 1HB LYS 86 5.788 -11.810 -8.392 639 HB3 LYS 86 2HB LYS 86 6.011 -13.475 -7.873 640 HG2 LYS 86 1HG LYS 86 8.135 -13.111 -7.140 641 HG3 LYS 86 2HG LYS 86 8.436 -11.821 -8.306 642 HD2 LYS 86 1HD LYS 86 7.941 -10.295 -6.769 643 HD3 LYS 86 2HD LYS 86 6.336 -11.000 -6.564 644 HE2 LYS 86 1HE LYS 86 7.035 -12.373 -4.810 645 HE3 LYS 86 2HE LYS 86 8.737 -12.204 -5.234 646 HZ1 LYS 86 3HZ LYS 86 8.814 -10.644 -3.673 647 HZ2 LYS 86 1HZ LYS 86 7.130 -10.584 -3.520 648 HZ3 LYS 86 2HZ LYS 86 7.905 -9.656 -4.702 649 H ASP 87 H ASP 87 4.874 -13.853 -11.330 650 HA ASP 87 HA ASP 87 3.791 -15.821 -11.737 651 HB2 ASP 87 1HB ASP 87 6.651 -16.801 -11.639 652 HB3 ASP 87 2HB ASP 87 5.299 -17.727 -12.285 653 H ASP 88 H ASP 88 3.638 -15.152 -9.079 654 HA ASP 88 HA ASP 88 4.252 -17.562 -7.550 655 HB2 ASP 88 1HB ASP 88 4.708 -15.254 -6.637 656 HB3 ASP 88 2HB ASP 88 2.965 -15.017 -6.555 657 H SER 89 H SER 89 1.610 -15.978 -9.094 658 HA SER 89 HA SER 89 -0.140 -18.187 -8.409 659 HG SER 89 HG SER 89 -2.891 -16.325 -7.342 660 HB2 SER 89 1HB SER 89 -0.436 -16.417 -6.611 661 HB3 SER 89 2HB SER 89 -1.086 -15.368 -7.872 Start of MODEL 27 1 HA MET 1 HA MET 1 0.958 -0.829 -1.189 2 H1 MET 1 H MET 1 1.132 -1.596 1.651 3 HB2 MET 1 1HB MET 1 2.969 0.102 0.867 4 HB3 MET 1 2HB MET 1 3.026 0.489 -0.847 5 HG2 MET 1 1HG MET 1 1.078 1.808 -0.718 6 HG3 MET 1 2HG MET 1 0.683 1.196 0.887 7 HE1 MET 1 3HE MET 1 1.683 1.538 2.822 8 HE2 MET 1 1HE MET 1 3.197 2.379 3.156 9 HE3 MET 1 2HE MET 1 1.670 3.260 3.203 10 H ASP 2 H ASP 2 1.599 -2.503 -2.373 11 HA ASP 2 HA ASP 2 3.510 -4.422 -1.341 12 HB2 ASP 2 1HB ASP 2 2.049 -4.296 -3.988 13 HB3 ASP 2 2HB ASP 2 3.071 -5.631 -3.462 14 H ASP 3 H ASP 3 5.513 -3.512 -1.279 15 HA ASP 3 HA ASP 3 6.568 -1.894 -3.378 16 HB2 ASP 3 1HB ASP 3 7.856 -3.255 -1.010 17 HB3 ASP 3 2HB ASP 3 8.750 -2.242 -2.140 18 H ILE 4 H ILE 4 6.450 -5.292 -2.752 19 HA ILE 4 HA ILE 4 8.645 -6.096 -4.350 20 HB ILE 4 HB ILE 4 7.670 -7.613 -2.719 21 HG12 ILE 4 1HG1 ILE 4 6.972 -9.093 -5.168 22 HG13 ILE 4 2HG1 ILE 4 8.534 -8.284 -5.223 23 HG21 ILE 4 1HG2 ILE 4 5.328 -8.360 -4.292 24 HG22 ILE 4 2HG2 ILE 4 5.493 -8.095 -2.557 25 HG23 ILE 4 3HG2 ILE 4 5.249 -6.724 -3.639 26 HD11 ILE 4 3HD1 ILE 4 7.991 -10.759 -4.133 27 HD12 ILE 4 1HD1 ILE 4 9.457 -9.806 -3.903 28 HD13 ILE 4 2HD1 ILE 4 8.141 -9.698 -2.732 29 H TYR 5 H TYR 5 5.284 -5.386 -5.051 30 HA TYR 5 HA TYR 5 5.476 -6.362 -7.770 31 HD1 TYR 5 HD1 TYR 5 4.463 -8.079 -7.846 32 HD2 TYR 5 HD2 TYR 5 1.696 -6.249 -5.181 33 HE1 TYR 5 HE1 TYR 5 3.691 -10.302 -7.131 34 HE2 TYR 5 HE2 TYR 5 0.917 -8.467 -4.458 35 HH TYR 5 HH TYR 5 1.888 -10.829 -4.393 36 HB2 TYR 5 1HB TYR 5 3.282 -4.923 -6.272 37 HB3 TYR 5 2HB TYR 5 3.147 -5.419 -7.955 38 H LYS 6 H LYS 6 5.312 -3.249 -6.103 39 HA LYS 6 HA LYS 6 5.199 -1.621 -8.398 40 HB2 LYS 6 1HB LYS 6 5.474 0.177 -6.968 41 HB3 LYS 6 2HB LYS 6 4.841 -1.047 -5.874 42 HG2 LYS 6 1HG LYS 6 6.566 -0.338 -4.603 43 HG3 LYS 6 2HG LYS 6 7.443 -1.531 -5.564 44 HD2 LYS 6 1HD LYS 6 8.828 0.282 -5.792 45 HD3 LYS 6 2HD LYS 6 7.776 0.511 -7.191 46 HE2 LYS 6 1HE LYS 6 7.993 2.617 -6.086 47 HE3 LYS 6 2HE LYS 6 6.364 2.015 -5.783 48 HZ1 LYS 6 3HZ LYS 6 8.013 1.079 -3.737 49 HZ2 LYS 6 1HZ LYS 6 6.752 2.201 -3.627 50 HZ3 LYS 6 2HZ LYS 6 8.332 2.731 -3.917 51 H ALA 7 H ALA 7 7.793 -3.334 -6.897 52 HA ALA 7 HA ALA 7 9.936 -1.790 -7.970 53 HB1 ALA 7 1HB ALA 7 9.664 -4.371 -6.548 54 HB2 ALA 7 2HB ALA 7 11.121 -4.137 -7.515 55 HB3 ALA 7 3HB ALA 7 10.727 -3.001 -6.224 56 H ALA 8 H ALA 8 8.040 -4.506 -9.105 57 HA ALA 8 HA ALA 8 9.776 -5.012 -11.363 58 HB1 ALA 8 1HB ALA 8 8.793 -6.998 -11.323 59 HB2 ALA 8 2HB ALA 8 7.763 -6.448 -10.001 60 HB3 ALA 8 3HB ALA 8 7.231 -6.257 -11.671 61 H VAL 9 H VAL 9 6.630 -3.516 -10.765 62 HA VAL 9 HA VAL 9 5.945 -3.056 -13.464 63 HB VAL 9 HB VAL 9 4.428 -2.901 -11.406 64 HG11 VAL 9 1HG1 VAL 9 4.331 -0.972 -10.146 65 HG12 VAL 9 2HG1 VAL 9 6.069 -1.139 -10.403 66 HG13 VAL 9 3HG1 VAL 9 5.138 0.000 -11.377 67 HG21 VAL 9 3HG2 VAL 9 4.373 -0.886 -13.640 68 HG22 VAL 9 1HG2 VAL 9 3.518 -2.425 -13.535 69 HG23 VAL 9 2HG2 VAL 9 3.046 -1.081 -12.495 70 H GLU 10 H GLU 10 7.916 -1.288 -11.176 71 HA GLU 10 HA GLU 10 8.045 1.136 -12.662 72 HB2 GLU 10 1HB GLU 10 9.440 1.901 -11.013 73 HB3 GLU 10 2HB GLU 10 8.659 0.584 -10.150 74 HG2 GLU 10 1HG GLU 10 10.573 -0.870 -10.711 75 HG3 GLU 10 2HG GLU 10 11.364 0.513 -11.465 76 H GLN 11 H GLN 11 9.738 -1.889 -12.798 77 HA GLN 11 HA GLN 11 11.905 -0.849 -14.407 78 HB2 GLN 11 1HB GLN 11 11.191 -3.728 -13.830 79 HB3 GLN 11 2HB GLN 11 12.719 -3.129 -14.461 80 HG2 GLN 11 1HG GLN 11 12.085 -1.821 -11.986 81 HG3 GLN 11 2HG GLN 11 12.025 -3.572 -11.792 82 HE21 GLN 11 2HE2 GLN 11 13.859 -4.219 -10.930 83 HE22 GLN 11 1HE2 GLN 11 15.442 -3.717 -11.407 84 H LEU 12 H LEU 12 8.766 -1.415 -15.045 85 HA LEU 12 HA LEU 12 8.858 -2.916 -17.449 86 HG LEU 12 HG LEU 12 6.956 -3.172 -15.169 87 HB2 LEU 12 1HB LEU 12 6.844 -0.986 -16.324 88 HB3 LEU 12 2HB LEU 12 6.604 -1.835 -17.850 89 HD11 LEU 12 1HD1 LEU 12 4.435 -2.865 -16.786 90 HD12 LEU 12 2HD1 LEU 12 4.853 -1.846 -15.409 91 HD13 LEU 12 3HD1 LEU 12 4.607 -3.577 -15.182 92 HD21 LEU 12 3HD2 LEU 12 6.273 -5.187 -16.328 93 HD22 LEU 12 1HD2 LEU 12 7.706 -4.505 -17.097 94 HD23 LEU 12 2HD2 LEU 12 6.122 -4.294 -17.842 95 H THR 13 H THR 13 7.803 -1.735 -19.487 96 HA THR 13 HA THR 13 9.611 0.504 -20.104 97 HB THR 13 HB THR 13 10.098 -1.235 -21.608 98 HG1 THR 13 HG1 THR 13 9.818 -0.101 -23.393 99 HG21 THR 13 3HG2 THR 13 8.309 -2.755 -21.240 100 HG22 THR 13 1HG2 THR 13 8.268 -2.347 -22.954 101 HG23 THR 13 2HG2 THR 13 7.116 -1.606 -21.843 102 H GLU 14 H GLU 14 8.812 2.198 -21.513 103 HA GLU 14 HA GLU 14 6.472 3.385 -20.652 104 HB2 GLU 14 1HB GLU 14 7.912 3.748 -23.285 105 HB3 GLU 14 2HB GLU 14 6.656 4.821 -22.684 106 HG2 GLU 14 1HG GLU 14 8.000 5.733 -21.082 107 HG3 GLU 14 2HG GLU 14 9.005 4.291 -20.947 108 H GLU 15 H GLU 15 6.993 1.294 -23.455 109 HA GLU 15 HA GLU 15 4.446 1.565 -24.604 110 HB2 GLU 15 1HB GLU 15 4.953 -0.494 -25.806 111 HB3 GLU 15 2HB GLU 15 6.356 0.564 -25.782 112 HG2 GLU 15 1HG GLU 15 7.429 -0.762 -24.127 113 HG3 GLU 15 2HG GLU 15 5.969 -1.714 -23.860 114 H GLN 16 H GLN 16 5.622 -0.397 -21.964 115 HA GLN 16 HA GLN 16 3.400 -2.163 -21.830 116 HB2 GLN 16 1HB GLN 16 5.827 -1.667 -20.324 117 HB3 GLN 16 2HB GLN 16 4.466 -1.975 -19.255 118 HG2 GLN 16 1HG GLN 16 5.656 -4.023 -19.763 119 HG3 GLN 16 2HG GLN 16 4.017 -4.070 -20.410 120 HE21 GLN 16 2HE2 GLN 16 7.070 -4.903 -21.071 121 HE22 GLN 16 1HE2 GLN 16 7.046 -4.843 -22.797 122 H LYS 17 H LYS 17 4.293 0.681 -19.875 123 HA LYS 17 HA LYS 17 2.033 0.768 -18.264 124 HB2 LYS 17 1HB LYS 17 4.257 2.463 -18.838 125 HB3 LYS 17 2HB LYS 17 2.798 3.445 -18.861 126 HG2 LYS 17 1HG LYS 17 3.763 3.453 -16.654 127 HG3 LYS 17 2HG LYS 17 2.217 2.601 -16.626 128 HD2 LYS 17 1HD LYS 17 3.233 0.838 -15.733 129 HD3 LYS 17 2HD LYS 17 4.213 0.683 -17.193 130 HE2 LYS 17 1HE LYS 17 5.584 0.840 -15.156 131 HE3 LYS 17 2HE LYS 17 5.882 2.174 -16.270 132 HZ1 LYS 17 3HZ LYS 17 3.823 2.874 -14.472 133 HZ2 LYS 17 1HZ LYS 17 5.331 3.608 -14.695 134 HZ3 LYS 17 2HZ LYS 17 5.165 2.333 -13.596 135 H ASN 18 H ASN 18 2.446 1.699 -21.585 136 HA ASN 18 HA ASN 18 0.188 3.381 -21.832 137 HB2 ASN 18 1HB ASN 18 2.191 2.262 -23.564 138 HB3 ASN 18 2HB ASN 18 0.603 2.070 -24.303 139 HD21 ASN 18 2HD2 ASN 18 2.900 3.800 -24.983 140 HD22 ASN 18 1HD2 ASN 18 2.263 5.405 -25.033 141 H GLU 19 H GLU 19 0.625 -0.096 -22.031 142 HA GLU 19 HA GLU 19 -1.968 -0.656 -23.079 143 HB2 GLU 19 1HB GLU 19 0.080 -2.375 -21.680 144 HB3 GLU 19 2HB GLU 19 -1.447 -3.004 -22.282 145 HG2 GLU 19 1HG GLU 19 -0.858 -2.431 -24.537 146 HG3 GLU 19 2HG GLU 19 0.610 -1.623 -23.988 147 H PHE 20 H PHE 20 -0.555 -0.760 -19.824 148 HA PHE 20 HA PHE 20 -2.885 -1.658 -18.509 149 HD1 PHE 20 HD2 PHE 20 -1.879 -3.424 -16.669 150 HD2 PHE 20 HD1 PHE 20 1.328 -1.097 -18.224 151 HE1 PHE 20 HE2 PHE 20 -0.469 -5.437 -16.763 152 HE2 PHE 20 HE1 PHE 20 2.743 -3.108 -18.321 153 HZ PHE 20 HZ PHE 20 1.846 -5.281 -17.589 154 HB2 PHE 20 1HB PHE 20 -0.584 -0.034 -17.403 155 HB3 PHE 20 2HB PHE 20 -1.773 -0.912 -16.446 156 H LYS 21 H LYS 21 -1.832 1.475 -19.574 157 HA LYS 21 HA LYS 21 -3.732 2.934 -17.969 158 HB2 LYS 21 1HB LYS 21 -1.494 3.822 -18.780 159 HB3 LYS 21 2HB LYS 21 -2.223 3.953 -20.375 160 HG2 LYS 21 1HG LYS 21 -4.043 5.335 -19.132 161 HG3 LYS 21 2HG LYS 21 -2.793 5.514 -17.898 162 HD2 LYS 21 1HD LYS 21 -1.266 6.266 -19.801 163 HD3 LYS 21 2HD LYS 21 -2.736 6.410 -20.768 164 HE2 LYS 21 1HE LYS 21 -2.646 7.703 -18.086 165 HE3 LYS 21 2HE LYS 21 -1.777 8.460 -19.420 166 HZ1 LYS 21 3HZ LYS 21 -4.551 8.476 -18.874 167 HZ2 LYS 21 1HZ LYS 21 -4.276 7.793 -20.397 168 HZ3 LYS 21 2HZ LYS 21 -3.693 9.341 -20.047 169 H ALA 22 H ALA 22 -3.550 1.655 -21.226 170 HA ALA 22 HA ALA 22 -5.920 3.014 -22.134 171 HB1 ALA 22 1HB ALA 22 -3.830 1.968 -23.448 172 HB2 ALA 22 2HB ALA 22 -4.969 0.629 -23.591 173 HB3 ALA 22 3HB ALA 22 -5.409 2.228 -24.190 174 H ALA 23 H ALA 23 -5.102 -0.358 -21.326 175 HA ALA 23 HA ALA 23 -7.668 -1.424 -21.712 176 HB1 ALA 23 1HB ALA 23 -5.177 -2.297 -20.407 177 HB2 ALA 23 2HB ALA 23 -6.654 -3.074 -19.835 178 HB3 ALA 23 3HB ALA 23 -6.225 -3.146 -21.544 179 H PHE 24 H PHE 24 -6.321 0.426 -19.117 180 HA PHE 24 HA PHE 24 -8.201 -0.348 -17.115 181 HD1 PHE 24 HD1 PHE 24 -7.566 0.169 -14.405 182 HD2 PHE 24 HD2 PHE 24 -7.519 3.873 -16.502 183 HE1 PHE 24 HE1 PHE 24 -8.601 1.276 -12.466 184 HE2 PHE 24 HE2 PHE 24 -8.553 4.986 -14.567 185 HZ PHE 24 HZ PHE 24 -9.094 3.687 -12.545 186 HB2 PHE 24 1HB PHE 24 -6.107 0.569 -16.394 187 HB3 PHE 24 2HB PHE 24 -6.346 2.023 -17.358 188 H ASP 25 H ASP 25 -8.143 2.034 -19.654 189 HA ASP 25 HA ASP 25 -10.217 3.701 -18.700 190 HB2 ASP 25 1HB ASP 25 -8.728 4.466 -20.454 191 HB3 ASP 25 2HB ASP 25 -9.257 3.166 -21.518 192 H ILE 26 H ILE 26 -10.209 0.830 -20.763 193 HA ILE 26 HA ILE 26 -12.953 0.895 -21.428 194 HB ILE 26 HB ILE 26 -11.095 -1.482 -21.288 195 HG12 ILE 26 1HG1 ILE 26 -11.517 -0.883 -23.939 196 HG13 ILE 26 2HG1 ILE 26 -11.442 0.714 -23.204 197 HG21 ILE 26 1HG2 ILE 26 -12.690 -2.547 -22.825 198 HG22 ILE 26 2HG2 ILE 26 -13.416 -2.179 -21.262 199 HG23 ILE 26 3HG2 ILE 26 -13.761 -1.157 -22.657 200 HD11 ILE 26 3HD1 ILE 26 -9.246 0.407 -23.668 201 HD12 ILE 26 1HD1 ILE 26 -9.295 -0.316 -22.060 202 HD13 ILE 26 2HD1 ILE 26 -9.337 -1.345 -23.492 203 H PHE 27 H PHE 27 -11.167 -0.558 -18.760 204 HA PHE 27 HA PHE 27 -13.258 -2.105 -17.694 205 HD1 PHE 27 HD1 PHE 27 -10.534 -2.790 -18.770 206 HD2 PHE 27 HD2 PHE 27 -11.551 -3.724 -14.744 207 HE1 PHE 27 HE1 PHE 27 -9.823 -5.117 -19.134 208 HE2 PHE 27 HE2 PHE 27 -10.840 -6.052 -15.101 209 HZ PHE 27 HZ PHE 27 -9.974 -6.751 -17.297 210 HB2 PHE 27 1HB PHE 27 -10.670 -1.042 -16.684 211 HB3 PHE 27 2HB PHE 27 -11.841 -1.582 -15.486 212 H VAL 28 H VAL 28 -12.109 1.139 -16.770 213 HA VAL 28 HA VAL 28 -14.406 1.542 -15.053 214 HB VAL 28 HB VAL 28 -13.430 3.680 -14.498 215 HG11 VAL 28 1HG1 VAL 28 -10.887 2.383 -14.410 216 HG12 VAL 28 2HG1 VAL 28 -12.056 2.626 -13.110 217 HG13 VAL 28 3HG1 VAL 28 -12.155 1.191 -14.131 218 HG21 VAL 28 3HG2 VAL 28 -11.007 3.906 -15.717 219 HG22 VAL 28 1HG2 VAL 28 -12.001 3.263 -17.024 220 HG23 VAL 28 2HG2 VAL 28 -12.466 4.760 -16.217 221 H LEU 29 H LEU 29 -14.137 1.549 -18.256 222 HA LEU 29 HA LEU 29 -15.179 4.034 -19.081 223 HG LEU 29 HG LEU 29 -16.821 1.008 -20.197 224 HB2 LEU 29 1HB LEU 29 -14.981 3.163 -21.117 225 HB3 LEU 29 2HB LEU 29 -14.294 1.748 -20.321 226 HD11 LEU 29 1HD1 LEU 29 -17.077 2.296 -22.825 227 HD12 LEU 29 2HD1 LEU 29 -17.212 3.376 -21.439 228 HD13 LEU 29 3HD1 LEU 29 -18.291 1.989 -21.583 229 HD21 LEU 29 3HD2 LEU 29 -16.360 0.269 -22.756 230 HD22 LEU 29 1HD2 LEU 29 -15.625 -0.507 -21.353 231 HD23 LEU 29 2HD2 LEU 29 -14.732 0.723 -22.248 232 H GLY 30 H GLY 30 -16.630 1.321 -17.545 233 HA2 GLY 30 1HA GLY 30 -19.326 1.964 -18.395 234 HA3 GLY 30 2HA GLY 30 -18.859 0.712 -17.254 235 H ALA 31 H ALA 31 -17.262 2.606 -15.649 236 HA ALA 31 HA ALA 31 -19.357 3.463 -13.904 237 HB1 ALA 31 1HB ALA 31 -16.369 3.678 -13.846 238 HB2 ALA 31 2HB ALA 31 -17.366 4.516 -12.656 239 HB3 ALA 31 3HB ALA 31 -17.440 2.759 -12.789 240 H GLU 32 H GLU 32 -18.954 5.803 -12.893 241 HA GLU 32 HA GLU 32 -19.166 7.667 -15.157 242 HB2 GLU 32 1HB GLU 32 -20.446 9.111 -13.607 243 HB3 GLU 32 2HB GLU 32 -21.194 7.538 -13.844 244 HG2 GLU 32 1HG GLU 32 -20.185 6.791 -11.708 245 HG3 GLU 32 2HG GLU 32 -19.587 8.431 -11.463 246 H ASP 33 H ASP 33 -17.778 7.275 -11.929 247 HA ASP 33 HA ASP 33 -16.304 9.754 -12.111 248 HB2 ASP 33 1HB ASP 33 -16.375 7.537 -10.066 249 HB3 ASP 33 2HB ASP 33 -15.278 8.909 -9.940 250 H GLY 34 H GLY 34 -15.712 6.333 -12.579 251 HA2 GLY 34 1HA GLY 34 -13.979 5.702 -14.161 252 HA3 GLY 34 2HA GLY 34 -13.003 7.020 -13.530 253 H CYS 35 H CYS 35 -14.775 4.303 -12.047 254 HA CYS 35 HA CYS 35 -12.261 3.269 -10.989 255 HG CYS 35 HG CYS 35 -15.984 4.108 -10.128 256 HB2 CYS 35 1HB CYS 35 -13.323 3.055 -8.704 257 HB3 CYS 35 2HB CYS 35 -12.905 4.694 -9.191 258 H ILE 36 H ILE 36 -12.796 1.192 -9.643 259 HA ILE 36 HA ILE 36 -14.975 -0.281 -10.963 260 HB ILE 36 HB ILE 36 -12.169 -1.307 -10.517 261 HG12 ILE 36 1HG1 ILE 36 -13.473 -1.261 -13.190 262 HG13 ILE 36 2HG1 ILE 36 -12.931 0.281 -12.535 263 HG21 ILE 36 1HG2 ILE 36 -13.073 -3.302 -11.798 264 HG22 ILE 36 2HG2 ILE 36 -13.612 -3.127 -10.129 265 HG23 ILE 36 3HG2 ILE 36 -14.680 -2.665 -11.453 266 HD11 ILE 36 3HD1 ILE 36 -11.171 -0.528 -13.861 267 HD12 ILE 36 1HD1 ILE 36 -10.681 -0.809 -12.190 268 HD13 ILE 36 2HD1 ILE 36 -11.288 -2.146 -13.169 269 H SER 37 H SER 37 -16.326 -1.082 -9.510 270 HA SER 37 HA SER 37 -15.491 -1.358 -6.739 271 HG SER 37 HG SER 37 -18.941 -0.636 -8.450 272 HB2 SER 37 1HB SER 37 -18.005 -2.011 -6.512 273 HB3 SER 37 2HB SER 37 -17.585 -0.333 -6.856 274 H THR 38 H THR 38 -15.667 -3.268 -5.535 275 HA THR 38 HA THR 38 -14.730 -5.592 -6.686 276 HB THR 38 HB THR 38 -14.517 -5.434 -4.348 277 HG1 THR 38 HG1 THR 38 -15.966 -7.299 -3.651 278 HG21 THR 38 3HG2 THR 38 -16.022 -4.194 -3.253 279 HG22 THR 38 1HG2 THR 38 -17.027 -5.641 -3.188 280 HG23 THR 38 2HG2 THR 38 -17.253 -4.469 -4.486 281 H LYS 39 H LYS 39 -18.003 -4.439 -6.442 282 HA LYS 39 HA LYS 39 -19.329 -6.895 -6.920 283 HB2 LYS 39 1HB LYS 39 -20.273 -4.100 -7.584 284 HB3 LYS 39 2HB LYS 39 -21.283 -5.531 -7.427 285 HG2 LYS 39 1HG LYS 39 -19.628 -4.410 -5.180 286 HG3 LYS 39 2HG LYS 39 -21.316 -3.981 -5.467 287 HD2 LYS 39 1HD LYS 39 -20.550 -6.860 -5.272 288 HD3 LYS 39 2HD LYS 39 -20.695 -5.903 -3.796 289 HE2 LYS 39 1HE LYS 39 -22.840 -6.187 -5.898 290 HE3 LYS 39 2HE LYS 39 -22.779 -7.093 -4.387 291 HZ1 LYS 39 3HZ LYS 39 -23.383 -4.257 -4.830 292 HZ2 LYS 39 1HZ LYS 39 -22.651 -4.708 -3.372 293 HZ3 LYS 39 2HZ LYS 39 -24.143 -5.374 -3.811 294 H GLU 40 H GLU 40 -18.589 -4.178 -9.112 295 HA GLU 40 HA GLU 40 -19.403 -5.611 -11.442 296 HB2 GLU 40 1HB GLU 40 -17.601 -3.194 -11.384 297 HB3 GLU 40 2HB GLU 40 -18.667 -3.715 -12.681 298 HG2 GLU 40 1HG GLU 40 -19.587 -2.751 -9.983 299 HG3 GLU 40 2HG GLU 40 -19.517 -1.765 -11.442 300 H LEU 41 H LEU 41 -16.436 -5.290 -9.674 301 HA LEU 41 HA LEU 41 -14.605 -6.016 -11.675 302 HG LEU 41 HG LEU 41 -12.865 -7.912 -9.422 303 HB2 LEU 41 1HB LEU 41 -13.845 -5.077 -9.605 304 HB3 LEU 41 2HB LEU 41 -14.542 -6.413 -8.691 305 HD11 LEU 41 1HD1 LEU 41 -12.262 -7.745 -11.565 306 HD12 LEU 41 2HD1 LEU 41 -11.060 -6.587 -10.999 307 HD13 LEU 41 3HD1 LEU 41 -12.607 -6.017 -11.624 308 HD21 LEU 41 3HD2 LEU 41 -10.730 -6.566 -8.908 309 HD22 LEU 41 1HD2 LEU 41 -11.977 -6.672 -7.665 310 HD23 LEU 41 2HD2 LEU 41 -11.828 -5.211 -8.641 311 H GLY 42 H GLY 42 -16.872 -7.879 -9.833 312 HA2 GLY 42 1HA GLY 42 -15.630 -10.424 -10.199 313 HA3 GLY 42 2HA GLY 42 -17.296 -10.140 -9.717 314 H LYS 43 H LYS 43 -17.685 -8.442 -12.169 315 HA LYS 43 HA LYS 43 -18.691 -10.498 -13.850 316 HB2 LYS 43 1HB LYS 43 -19.762 -8.830 -14.962 317 HB3 LYS 43 2HB LYS 43 -19.334 -7.914 -13.523 318 HG2 LYS 43 1HG LYS 43 -17.337 -7.068 -14.679 319 HG3 LYS 43 2HG LYS 43 -17.826 -7.948 -16.129 320 HD2 LYS 43 1HD LYS 43 -20.046 -6.643 -15.884 321 HD3 LYS 43 2HD LYS 43 -19.117 -5.575 -14.830 322 HE2 LYS 43 1HE LYS 43 -18.973 -4.594 -16.954 323 HE3 LYS 43 2HE LYS 43 -17.436 -5.430 -16.741 324 HZ1 LYS 43 3HZ LYS 43 -17.873 -6.813 -18.421 325 HZ2 LYS 43 1HZ LYS 43 -19.046 -5.685 -18.884 326 HZ3 LYS 43 2HZ LYS 43 -19.488 -7.037 -17.969 327 H VAL 44 H VAL 44 -15.820 -8.469 -13.926 328 HA VAL 44 HA VAL 44 -14.982 -9.133 -16.544 329 HB VAL 44 HB VAL 44 -14.136 -7.288 -14.833 330 HG11 VAL 44 1HG1 VAL 44 -12.157 -7.781 -13.697 331 HG12 VAL 44 2HG1 VAL 44 -13.182 -9.184 -13.387 332 HG13 VAL 44 3HG1 VAL 44 -11.902 -9.275 -14.597 333 HG21 VAL 44 3HG2 VAL 44 -11.816 -7.870 -16.329 334 HG22 VAL 44 1HG2 VAL 44 -13.197 -8.390 -17.296 335 HG23 VAL 44 2HG2 VAL 44 -13.101 -6.726 -16.717 336 H MET 45 H MET 45 -14.733 -10.764 -13.491 337 HA MET 45 HA MET 45 -12.562 -12.451 -13.971 338 HB2 MET 45 1HB MET 45 -15.073 -13.091 -12.413 339 HB3 MET 45 2HB MET 45 -13.526 -13.914 -12.268 340 HG2 MET 45 1HG MET 45 -13.402 -11.017 -11.867 341 HG3 MET 45 2HG MET 45 -14.371 -11.886 -10.679 342 HE1 MET 45 3HE MET 45 -11.407 -13.734 -12.463 343 HE2 MET 45 1HE MET 45 -10.966 -12.033 -12.609 344 HE3 MET 45 2HE MET 45 -10.016 -13.104 -11.579 345 H ARG 46 H ARG 46 -15.966 -12.777 -14.858 346 HA ARG 46 HA ARG 46 -15.899 -15.408 -15.801 347 HE ARG 46 HE ARG 46 -20.051 -14.071 -13.250 348 HB2 ARG 46 1HB ARG 46 -17.584 -13.149 -16.894 349 HB3 ARG 46 2HB ARG 46 -17.927 -14.870 -17.010 350 HG2 ARG 46 1HG ARG 46 -17.971 -14.861 -14.461 351 HG3 ARG 46 2HG ARG 46 -18.039 -13.102 -14.593 352 HD2 ARG 46 1HD ARG 46 -20.047 -13.329 -16.019 353 HD3 ARG 46 2HD ARG 46 -19.996 -15.073 -15.767 354 HH11 ARG 46 1HH1 ARG 46 -22.031 -13.600 -16.074 355 HH12 ARG 46 2HH1 ARG 46 -23.475 -13.287 -15.169 356 HH21 ARG 46 1HH2 ARG 46 -21.945 -13.662 -12.048 357 HH22 ARG 46 2HH2 ARG 46 -23.425 -13.322 -12.879 358 H MET 47 H MET 47 -15.211 -12.350 -17.447 359 HA MET 47 HA MET 47 -14.836 -13.459 -20.021 360 HB2 MET 47 1HB MET 47 -13.625 -10.933 -18.885 361 HB3 MET 47 2HB MET 47 -13.795 -11.332 -20.589 362 HG2 MET 47 1HG MET 47 -16.085 -10.948 -18.677 363 HG3 MET 47 2HG MET 47 -15.477 -9.724 -19.788 364 HE1 MET 47 3HE MET 47 -15.308 -11.431 -22.879 365 HE2 MET 47 1HE MET 47 -16.703 -10.366 -23.056 366 HE3 MET 47 2HE MET 47 -15.322 -9.854 -22.086 367 H LEU 48 H LEU 48 -12.766 -13.136 -17.238 368 HA LEU 48 HA LEU 48 -10.309 -13.605 -18.614 369 HG LEU 48 HG LEU 48 -8.580 -12.495 -17.034 370 HB2 LEU 48 1HB LEU 48 -11.202 -13.347 -15.819 371 HB3 LEU 48 2HB LEU 48 -9.769 -14.342 -16.071 372 HD11 LEU 48 1HD1 LEU 48 -9.569 -10.292 -17.295 373 HD12 LEU 48 2HD1 LEU 48 -11.122 -10.904 -16.728 374 HD13 LEU 48 3HD1 LEU 48 -10.449 -11.484 -18.251 375 HD21 LEU 48 3HD2 LEU 48 -9.096 -12.707 -14.450 376 HD22 LEU 48 1HD2 LEU 48 -9.894 -11.159 -14.727 377 HD23 LEU 48 2HD2 LEU 48 -8.181 -11.347 -15.102 378 H GLY 49 H GLY 49 -12.829 -15.613 -17.359 379 HA2 GLY 49 1HA GLY 49 -12.946 -17.872 -18.300 380 HA3 GLY 49 2HA GLY 49 -11.210 -17.987 -18.046 381 H GLN 50 H GLN 50 -12.739 -16.392 -15.502 382 HA GLN 50 HA GLN 50 -13.062 -18.879 -13.972 383 HB2 GLN 50 1HB GLN 50 -11.561 -16.416 -13.071 384 HB3 GLN 50 2HB GLN 50 -11.974 -17.771 -12.029 385 HG2 GLN 50 1HG GLN 50 -10.553 -19.240 -13.234 386 HG3 GLN 50 2HG GLN 50 -10.308 -18.052 -14.513 387 HE21 GLN 50 2HE2 GLN 50 -10.107 -17.997 -10.968 388 HE22 GLN 50 1HE2 GLN 50 -8.520 -17.318 -10.899 389 H ASN 51 H ASN 51 -14.443 -18.709 -12.119 390 HA ASN 51 HA ASN 51 -16.095 -16.293 -11.979 391 HB2 ASN 51 1HB ASN 51 -18.124 -17.841 -11.789 392 HB3 ASN 51 2HB ASN 51 -17.434 -17.628 -13.395 393 HD21 ASN 51 2HD2 ASN 51 -17.041 -19.393 -14.516 394 HD22 ASN 51 1HD2 ASN 51 -16.883 -20.989 -13.874 395 HA PRO 52 HA PRO 52 -14.831 -18.045 -7.834 396 HB2 PRO 52 1HB PRO 52 -13.758 -15.735 -6.894 397 HB3 PRO 52 2HB PRO 52 -12.830 -16.916 -7.825 398 HG2 PRO 52 1HG PRO 52 -14.112 -14.370 -8.739 399 HG3 PRO 52 2HG PRO 52 -12.514 -15.025 -9.141 400 HD2 PRO 52 1HD PRO 52 -14.636 -15.234 -10.810 401 HD3 PRO 52 2HD PRO 52 -13.365 -16.470 -10.722 402 H THR 53 H THR 53 -15.518 -17.243 -5.680 403 HA THR 53 HA THR 53 -18.211 -16.564 -5.616 404 HB THR 53 HB THR 53 -17.406 -15.736 -3.156 405 HG1 THR 53 HG1 THR 53 -15.566 -17.795 -3.717 406 HG21 THR 53 3HG2 THR 53 -17.667 -18.607 -4.058 407 HG22 THR 53 1HG2 THR 53 -19.006 -17.533 -3.653 408 HG23 THR 53 2HG2 THR 53 -17.855 -18.017 -2.407 409 HA PRO 54 HA PRO 54 -18.507 -12.199 -5.962 410 HB2 PRO 54 1HB PRO 54 -20.406 -11.594 -4.119 411 HB3 PRO 54 2HB PRO 54 -20.771 -12.422 -5.638 412 HG2 PRO 54 1HG PRO 54 -20.398 -13.568 -2.898 413 HG3 PRO 54 2HG PRO 54 -21.619 -13.966 -4.121 414 HD2 PRO 54 1HD PRO 54 -19.423 -15.495 -3.703 415 HD3 PRO 54 2HD PRO 54 -20.177 -15.321 -5.302 416 H GLU 55 H GLU 55 -18.499 -13.206 -2.537 417 HA GLU 55 HA GLU 55 -17.514 -10.760 -1.535 418 HB2 GLU 55 1HB GLU 55 -17.487 -13.557 -0.403 419 HB3 GLU 55 2HB GLU 55 -16.905 -12.158 0.489 420 HG2 GLU 55 1HG GLU 55 -19.697 -12.759 -0.419 421 HG3 GLU 55 2HG GLU 55 -19.102 -12.513 1.222 422 H GLU 56 H GLU 56 -15.956 -13.544 -2.919 423 HA GLU 56 HA GLU 56 -13.367 -13.232 -1.924 424 HB2 GLU 56 1HB GLU 56 -14.196 -15.182 -3.245 425 HB3 GLU 56 2HB GLU 56 -14.129 -14.183 -4.690 426 HG2 GLU 56 1HG GLU 56 -11.794 -14.068 -4.642 427 HG3 GLU 56 2HG GLU 56 -11.715 -14.626 -2.972 428 H LEU 57 H LEU 57 -15.029 -11.606 -4.556 429 HA LEU 57 HA LEU 57 -12.935 -10.406 -5.885 430 HG LEU 57 HG LEU 57 -15.996 -9.585 -7.765 431 HB2 LEU 57 1HB LEU 57 -15.750 -9.596 -5.332 432 HB3 LEU 57 2HB LEU 57 -14.663 -8.441 -6.099 433 HD11 LEU 57 1HD1 LEU 57 -14.226 -9.376 -9.079 434 HD12 LEU 57 2HD1 LEU 57 -13.675 -10.973 -8.574 435 HD13 LEU 57 3HD1 LEU 57 -13.147 -9.539 -7.693 436 HD21 LEU 57 3HD2 LEU 57 -15.750 -12.006 -8.123 437 HD22 LEU 57 1HD2 LEU 57 -16.481 -11.632 -6.562 438 HD23 LEU 57 2HD2 LEU 57 -14.786 -12.113 -6.649 439 H GLN 58 H GLN 58 -14.745 -9.029 -3.136 440 HA GLN 58 HA GLN 58 -13.083 -6.773 -2.831 441 HB2 GLN 58 1HB GLN 58 -15.250 -6.679 -1.869 442 HB3 GLN 58 2HB GLN 58 -14.995 -8.166 -0.966 443 HG2 GLN 58 1HG GLN 58 -14.908 -6.276 0.520 444 HG3 GLN 58 2HG GLN 58 -13.317 -7.028 0.412 445 HE21 GLN 58 2HE2 GLN 58 -11.743 -5.611 0.363 446 HE22 GLN 58 1HE2 GLN 58 -11.788 -4.051 -0.378 447 H GLU 59 H GLU 59 -12.765 -10.059 -1.809 448 HA GLU 59 HA GLU 59 -11.039 -9.763 0.372 449 HB2 GLU 59 1HB GLU 59 -12.199 -11.881 -0.728 450 HB3 GLU 59 2HB GLU 59 -10.638 -12.033 -1.520 451 HG2 GLU 59 1HG GLU 59 -10.724 -13.379 0.491 452 HG3 GLU 59 2HG GLU 59 -9.531 -12.092 0.649 453 H MET 60 H MET 60 -10.254 -10.304 -3.063 454 HA MET 60 HA MET 60 -7.452 -10.040 -2.698 455 HB2 MET 60 1HB MET 60 -9.296 -10.140 -5.041 456 HB3 MET 60 2HB MET 60 -7.657 -9.556 -5.296 457 HG2 MET 60 1HG MET 60 -7.470 -11.803 -5.760 458 HG3 MET 60 2HG MET 60 -6.943 -11.713 -4.081 459 HE1 MET 60 3HE MET 60 -8.537 -14.135 -2.383 460 HE2 MET 60 1HE MET 60 -8.025 -14.913 -3.881 461 HE3 MET 60 2HE MET 60 -7.078 -13.586 -3.209 462 H ILE 61 H ILE 61 -10.036 -7.782 -3.317 463 HA ILE 61 HA ILE 61 -8.391 -5.609 -4.147 464 HB ILE 61 HB ILE 61 -11.200 -5.659 -3.045 465 HG12 ILE 61 1HG1 ILE 61 -10.149 -5.269 -5.856 466 HG13 ILE 61 2HG1 ILE 61 -10.877 -6.748 -5.238 467 HG21 ILE 61 1HG2 ILE 61 -9.614 -3.366 -4.188 468 HG22 ILE 61 2HG2 ILE 61 -11.359 -3.342 -3.937 469 HG23 ILE 61 3HG2 ILE 61 -10.273 -3.502 -2.558 470 HD11 ILE 61 3HD1 ILE 61 -12.678 -4.624 -4.739 471 HD12 ILE 61 1HD1 ILE 61 -12.140 -4.505 -6.414 472 HD13 ILE 61 2HD1 ILE 61 -12.867 -6.001 -5.825 473 H ASP 62 H ASP 62 -9.226 -6.962 -1.091 474 HA ASP 62 HA ASP 62 -8.850 -4.683 0.538 475 HB2 ASP 62 1HB ASP 62 -9.935 -6.885 1.200 476 HB3 ASP 62 2HB ASP 62 -8.306 -7.536 1.360 477 H GLU 63 H GLU 63 -6.649 -7.339 -0.342 478 HA GLU 63 HA GLU 63 -4.413 -6.219 1.019 479 HB2 GLU 63 1HB GLU 63 -5.009 -8.616 -0.434 480 HB3 GLU 63 2HB GLU 63 -3.506 -7.937 -1.042 481 HG2 GLU 63 1HG GLU 63 -2.887 -7.746 1.475 482 HG3 GLU 63 2HG GLU 63 -4.157 -8.951 1.684 483 H VAL 64 H VAL 64 -5.847 -5.707 -2.067 484 HA VAL 64 HA VAL 64 -3.489 -4.587 -3.296 485 HB VAL 64 HB VAL 64 -6.381 -4.566 -4.166 486 HG11 VAL 64 1HG1 VAL 64 -5.495 -3.848 -6.363 487 HG12 VAL 64 2HG1 VAL 64 -5.270 -2.638 -5.098 488 HG13 VAL 64 3HG1 VAL 64 -3.910 -3.633 -5.621 489 HG21 VAL 64 3HG2 VAL 64 -4.746 -6.693 -4.091 490 HG22 VAL 64 1HG2 VAL 64 -5.977 -6.462 -5.333 491 HG23 VAL 64 2HG2 VAL 64 -4.298 -6.033 -5.663 492 H ASP 65 H ASP 65 -6.612 -3.286 -2.176 493 HA ASP 65 HA ASP 65 -5.973 -0.579 -2.616 494 HB2 ASP 65 1HB ASP 65 -8.256 -1.807 -2.046 495 HB3 ASP 65 2HB ASP 65 -7.830 -1.330 -0.405 496 H GLU 66 H GLU 66 -4.226 0.339 -1.737 497 HA GLU 66 HA GLU 66 -3.110 -0.423 0.757 498 HB2 GLU 66 1HB GLU 66 -1.597 1.454 0.452 499 HB3 GLU 66 2HB GLU 66 -1.780 0.576 -1.061 500 HG2 GLU 66 1HG GLU 66 -3.303 2.263 -1.892 501 HG3 GLU 66 2HG GLU 66 -3.219 3.124 -0.357 502 H ASP 67 H ASP 67 -5.452 1.965 -0.212 503 HA ASP 67 HA ASP 67 -5.436 3.180 2.451 504 HB2 ASP 67 1HB ASP 67 -7.156 4.735 1.359 505 HB3 ASP 67 2HB ASP 67 -5.496 4.840 0.779 506 H GLY 68 H GLY 68 -6.947 0.688 0.829 507 HA2 GLY 68 1HA GLY 68 -8.797 -0.596 1.275 508 HA3 GLY 68 2HA GLY 68 -8.698 0.051 2.906 509 H SER 69 H SER 69 -9.333 1.774 -0.124 510 HA SER 69 HA SER 69 -11.568 3.132 1.047 511 HG SER 69 HG SER 69 -10.040 3.655 -2.685 512 HB2 SER 69 1HB SER 69 -11.813 4.085 -1.292 513 HB3 SER 69 2HB SER 69 -10.258 4.377 -0.514 514 H GLY 70 H GLY 70 -11.125 0.313 -0.923 515 HA2 GLY 70 1HA GLY 70 -12.830 -1.367 -1.016 516 HA3 GLY 70 2HA GLY 70 -14.038 -0.096 -0.894 517 H THR 71 H THR 71 -11.457 0.577 -3.019 518 HA THR 71 HA THR 71 -12.739 -0.577 -5.350 519 HB THR 71 HB THR 71 -12.542 1.886 -6.377 520 HG1 THR 71 HG1 THR 71 -12.965 2.210 -3.597 521 HG21 THR 71 3HG2 THR 71 -15.061 1.653 -4.932 522 HG22 THR 71 1HG2 THR 71 -14.589 0.152 -5.728 523 HG23 THR 71 2HG2 THR 71 -14.749 1.636 -6.668 524 H VAL 72 H VAL 72 -11.427 -0.547 -7.218 525 HA VAL 72 HA VAL 72 -8.590 -0.094 -6.630 526 HB VAL 72 HB VAL 72 -10.026 -1.852 -8.588 527 HG11 VAL 72 1HG1 VAL 72 -8.459 -0.869 -10.034 528 HG12 VAL 72 2HG1 VAL 72 -7.205 -0.839 -8.793 529 HG13 VAL 72 3HG1 VAL 72 -7.706 -2.373 -9.507 530 HG21 VAL 72 3HG2 VAL 72 -7.802 -3.110 -7.442 531 HG22 VAL 72 1HG2 VAL 72 -8.547 -2.176 -6.145 532 HG23 VAL 72 2HG2 VAL 72 -9.501 -3.360 -7.040 533 H ASP 73 H ASP 73 -7.507 1.524 -7.538 534 HA ASP 73 HA ASP 73 -8.829 3.094 -9.627 535 HB2 ASP 73 1HB ASP 73 -6.365 3.816 -8.031 536 HB3 ASP 73 2HB ASP 73 -7.340 4.892 -9.028 537 H PHE 74 H PHE 74 -6.740 4.346 -10.830 538 HA PHE 74 HA PHE 74 -5.919 2.483 -12.761 539 HD1 PHE 74 HD1 PHE 74 -4.614 2.386 -14.421 540 HD2 PHE 74 HD2 PHE 74 -3.312 6.328 -13.483 541 HE1 PHE 74 HE1 PHE 74 -2.805 2.179 -16.077 542 HE2 PHE 74 HE2 PHE 74 -1.503 6.128 -15.138 543 HZ PHE 74 HZ PHE 74 -1.248 4.052 -16.438 544 HB2 PHE 74 1HB PHE 74 -6.082 4.806 -13.351 545 HB3 PHE 74 2HB PHE 74 -4.907 5.257 -12.120 546 H ASP 75 H ASP 75 -4.252 3.840 -9.960 547 HA ASP 75 HA ASP 75 -1.731 2.657 -10.513 548 HB2 ASP 75 1HB ASP 75 -1.342 3.111 -8.026 549 HB3 ASP 75 2HB ASP 75 -1.701 4.503 -9.043 550 H GLU 76 H GLU 76 -4.293 1.781 -8.193 551 HA GLU 76 HA GLU 76 -3.097 -0.588 -7.289 552 HB2 GLU 76 1HB GLU 76 -5.933 0.403 -7.330 553 HB3 GLU 76 2HB GLU 76 -5.551 -1.206 -6.735 554 HG2 GLU 76 1HG GLU 76 -4.411 -0.409 -4.902 555 HG3 GLU 76 2HG GLU 76 -4.074 1.148 -5.657 556 H TRP 77 H TRP 77 -5.192 0.070 -10.032 557 HA TRP 77 HA TRP 77 -5.699 -2.641 -10.707 558 HD1 TRP 77 HD1 TRP 77 -8.646 -2.597 -12.489 559 HE1 TRP 77 HE1 TRP 77 -8.696 -3.892 -14.713 560 HE3 TRP 77 HE3 TRP 77 -4.079 -1.222 -14.332 561 HZ2 TRP 77 HZ2 TRP 77 -7.021 -4.281 -16.951 562 HZ3 TRP 77 HZ3 TRP 77 -3.379 -2.100 -16.521 563 HH2 TRP 77 HH2 TRP 77 -4.820 -3.598 -17.802 564 HB2 TRP 77 1HB TRP 77 -7.103 -0.760 -11.492 565 HB3 TRP 77 2HB TRP 77 -5.765 -0.195 -12.488 566 H LEU 78 H LEU 78 -3.108 -0.415 -11.405 567 HA LEU 78 HA LEU 78 -1.977 -1.929 -13.550 568 HG LEU 78 HG LEU 78 -0.919 -0.009 -14.891 569 HB2 LEU 78 1HB LEU 78 -1.653 0.598 -12.681 570 HB3 LEU 78 2HB LEU 78 -0.233 -0.156 -11.959 571 HD11 LEU 78 1HD1 LEU 78 0.682 1.593 -15.094 572 HD12 LEU 78 2HD1 LEU 78 1.610 1.002 -13.717 573 HD13 LEU 78 3HD1 LEU 78 0.143 1.944 -13.451 574 HD21 LEU 78 3HD2 LEU 78 1.047 -1.660 -13.388 575 HD22 LEU 78 1HD2 LEU 78 1.527 -0.986 -14.945 576 HD23 LEU 78 2HD2 LEU 78 0.121 -2.045 -14.839 577 H VAL 79 H VAL 79 -1.150 -1.517 -10.114 578 HA VAL 79 HA VAL 79 1.052 -3.255 -10.080 579 HB VAL 79 HB VAL 79 0.671 -1.730 -8.245 580 HG11 VAL 79 1HG1 VAL 79 -1.156 -2.062 -6.646 581 HG12 VAL 79 2HG1 VAL 79 -1.765 -1.713 -8.265 582 HG13 VAL 79 3HG1 VAL 79 -1.793 -3.365 -7.648 583 HG21 VAL 79 3HG2 VAL 79 1.654 -3.094 -6.770 584 HG22 VAL 79 1HG2 VAL 79 0.255 -4.166 -6.701 585 HG23 VAL 79 2HG2 VAL 79 1.448 -4.355 -7.986 586 H MET 80 H MET 80 -2.370 -3.861 -10.011 587 HA MET 80 HA MET 80 -2.422 -6.418 -8.894 588 HB2 MET 80 1HB MET 80 -4.223 -4.713 -10.335 589 HB3 MET 80 2HB MET 80 -4.343 -6.348 -10.972 590 HG2 MET 80 1HG MET 80 -5.240 -7.175 -9.070 591 HG3 MET 80 2HG MET 80 -4.344 -6.067 -8.034 592 HE1 MET 80 3HE MET 80 -7.799 -4.394 -10.566 593 HE2 MET 80 1HE MET 80 -6.120 -4.550 -11.083 594 HE3 MET 80 2HE MET 80 -7.116 -5.991 -10.876 595 H MET 81 H MET 81 -2.362 -5.555 -12.359 596 HA MET 81 HA MET 81 -2.013 -8.160 -13.318 597 HB2 MET 81 1HB MET 81 -2.429 -5.755 -14.483 598 HB3 MET 81 2HB MET 81 -0.725 -5.983 -14.852 599 HG2 MET 81 1HG MET 81 -1.873 -6.857 -16.688 600 HG3 MET 81 2HG MET 81 -1.371 -8.261 -15.749 601 HE1 MET 81 3HE MET 81 -5.229 -6.390 -16.672 602 HE2 MET 81 1HE MET 81 -5.216 -6.264 -14.913 603 HE3 MET 81 2HE MET 81 -3.887 -5.587 -15.855 604 H ALA 82 H ALA 82 0.297 -5.787 -12.167 605 HA ALA 82 HA ALA 82 2.663 -6.898 -13.131 606 HB1 ALA 82 1HB ALA 82 3.427 -5.079 -12.119 607 HB2 ALA 82 2HB ALA 82 1.915 -4.898 -11.230 608 HB3 ALA 82 3HB ALA 82 3.216 -5.885 -10.565 609 H ARG 83 H ARG 83 0.533 -7.995 -10.648 610 HA ARG 83 HA ARG 83 2.329 -9.541 -9.126 611 HE ARG 83 HE ARG 83 -1.971 -12.286 -8.062 612 HB2 ARG 83 1HB ARG 83 0.472 -10.381 -8.043 613 HB3 ARG 83 2HB ARG 83 -0.168 -8.878 -8.695 614 HG2 ARG 83 1HG ARG 83 -0.937 -10.292 -10.687 615 HG3 ARG 83 2HG ARG 83 -0.632 -11.681 -9.641 616 HD2 ARG 83 1HD ARG 83 -2.212 -9.483 -8.464 617 HD3 ARG 83 2HD ARG 83 -2.990 -10.387 -9.762 618 HH11 ARG 83 1HH1 ARG 83 -4.199 -9.624 -7.804 619 HH12 ARG 83 2HH1 ARG 83 -5.136 -10.360 -6.545 620 HH21 ARG 83 1HH2 ARG 83 -3.195 -13.265 -6.405 621 HH22 ARG 83 2HH2 ARG 83 -4.563 -12.431 -5.750 622 H CYS 84 H CYS 84 0.830 -10.058 -12.204 623 HA CYS 84 HA CYS 84 1.116 -12.885 -12.295 624 HG CYS 84 HG CYS 84 1.630 -13.927 -14.964 625 HB2 CYS 84 1HB CYS 84 -0.430 -11.566 -13.751 626 HB3 CYS 84 2HB CYS 84 0.973 -10.956 -14.619 627 H MET 85 H MET 85 3.330 -10.322 -12.543 628 HA MET 85 HA MET 85 5.220 -11.578 -14.284 629 HB2 MET 85 1HB MET 85 5.475 -9.278 -12.343 630 HB3 MET 85 2HB MET 85 6.775 -9.808 -13.401 631 HG2 MET 85 1HG MET 85 5.687 -9.091 -15.315 632 HG3 MET 85 2HG MET 85 4.109 -9.078 -14.531 633 HE1 MET 85 3HE MET 85 4.622 -6.303 -16.167 634 HE2 MET 85 1HE MET 85 3.303 -7.044 -15.261 635 HE3 MET 85 2HE MET 85 3.862 -5.425 -14.839 636 H LYS 86 H LYS 86 4.867 -11.273 -10.775 637 HA LYS 86 HA LYS 86 7.289 -12.658 -10.171 638 HB2 LYS 86 1HB LYS 86 4.864 -12.027 -8.482 639 HB3 LYS 86 2HB LYS 86 6.335 -12.758 -7.855 640 HG2 LYS 86 1HG LYS 86 6.095 -10.036 -9.121 641 HG3 LYS 86 2HG LYS 86 6.309 -10.384 -7.403 642 HD2 LYS 86 1HD LYS 86 8.432 -11.672 -8.244 643 HD3 LYS 86 2HD LYS 86 8.261 -10.618 -9.650 644 HE2 LYS 86 1HE LYS 86 8.228 -8.671 -8.091 645 HE3 LYS 86 2HE LYS 86 8.589 -9.782 -6.772 646 HZ1 LYS 86 3HZ LYS 86 10.316 -9.627 -9.164 647 HZ2 LYS 86 1HZ LYS 86 10.689 -10.234 -7.629 648 HZ3 LYS 86 2HZ LYS 86 10.524 -8.567 -7.862 649 H ASP 87 H ASP 87 4.369 -13.701 -11.389 650 HA ASP 87 HA ASP 87 4.168 -16.208 -10.008 651 HB2 ASP 87 1HB ASP 87 2.260 -14.960 -11.143 652 HB3 ASP 87 2HB ASP 87 2.926 -15.528 -12.672 653 H ASP 88 H ASP 88 6.613 -16.479 -10.480 654 HA ASP 88 HA ASP 88 8.254 -17.706 -11.467 655 HB2 ASP 88 1HB ASP 88 5.948 -19.073 -12.871 656 HB3 ASP 88 2HB ASP 88 7.592 -19.692 -12.738 657 H SER 89 H SER 89 7.743 -15.231 -12.606 658 HA SER 89 HA SER 89 8.254 -13.976 -14.433 659 HG SER 89 HG SER 89 11.325 -15.695 -14.637 660 HB2 SER 89 1HB SER 89 9.309 -16.477 -15.747 661 HB3 SER 89 2HB SER 89 9.843 -14.813 -15.978 Start of MODEL 28 1 HA MET 1 HA MET 1 2.751 -3.682 -2.000 2 H1 MET 1 H MET 1 1.661 -1.864 -0.250 3 HB2 MET 1 1HB MET 1 3.561 -1.837 -3.270 4 HB3 MET 1 2HB MET 1 2.074 -1.306 -2.497 5 HG2 MET 1 1HG MET 1 3.782 -0.474 -0.648 6 HG3 MET 1 2HG MET 1 4.868 -0.447 -2.035 7 HE1 MET 1 3HE MET 1 2.580 2.994 -0.812 8 HE2 MET 1 1HE MET 1 2.480 1.449 0.032 9 HE3 MET 1 2HE MET 1 4.053 2.178 -0.287 10 H ASP 2 H ASP 2 5.093 -3.517 -2.869 11 HA ASP 2 HA ASP 2 7.038 -3.340 -0.686 12 HB2 ASP 2 1HB ASP 2 6.302 -5.782 -2.219 13 HB3 ASP 2 2HB ASP 2 8.011 -5.531 -1.873 14 H ASP 3 H ASP 3 9.285 -3.331 -1.460 15 HA ASP 3 HA ASP 3 9.588 -1.574 -3.672 16 HB2 ASP 3 1HB ASP 3 11.890 -1.525 -3.135 17 HB3 ASP 3 2HB ASP 3 11.062 -1.720 -1.593 18 H ILE 4 H ILE 4 9.706 -5.013 -3.303 19 HA ILE 4 HA ILE 4 11.217 -5.597 -5.642 20 HB ILE 4 HB ILE 4 11.035 -7.271 -3.921 21 HG12 ILE 4 1HG1 ILE 4 9.373 -8.613 -5.959 22 HG13 ILE 4 2HG1 ILE 4 10.782 -7.763 -6.585 23 HG21 ILE 4 1HG2 ILE 4 8.339 -8.171 -4.297 24 HG22 ILE 4 2HG2 ILE 4 9.156 -7.680 -2.814 25 HG23 ILE 4 3HG2 ILE 4 8.348 -6.475 -3.815 26 HD11 ILE 4 3HD1 ILE 4 10.639 -10.305 -5.331 27 HD12 ILE 4 1HD1 ILE 4 12.039 -9.488 -6.026 28 HD13 ILE 4 2HD1 ILE 4 11.623 -9.237 -4.331 29 H TYR 5 H TYR 5 7.826 -5.027 -4.996 30 HA TYR 5 HA TYR 5 7.000 -5.894 -7.632 31 HD1 TYR 5 HD2 TYR 5 6.029 -7.621 -7.466 32 HD2 TYR 5 HD1 TYR 5 4.485 -6.067 -3.818 33 HE1 TYR 5 HE2 TYR 5 5.607 -9.912 -6.676 34 HE2 TYR 5 HE1 TYR 5 4.060 -8.354 -3.017 35 HH TYR 5 HH TYR 5 4.567 -10.560 -3.393 36 HB2 TYR 5 1HB TYR 5 5.513 -4.617 -5.334 37 HB3 TYR 5 2HB TYR 5 4.754 -5.010 -6.873 38 H LYS 6 H LYS 6 7.289 -2.837 -5.857 39 HA LYS 6 HA LYS 6 6.324 -1.147 -7.876 40 HB2 LYS 6 1HB LYS 6 7.164 0.640 -6.605 41 HB3 LYS 6 2HB LYS 6 6.799 -0.605 -5.418 42 HG2 LYS 6 1HG LYS 6 8.851 -0.008 -4.676 43 HG3 LYS 6 2HG LYS 6 9.342 -1.228 -5.854 44 HD2 LYS 6 1HD LYS 6 10.674 0.401 -6.648 45 HD3 LYS 6 2HD LYS 6 9.199 0.994 -7.415 46 HE2 LYS 6 1HE LYS 6 9.871 2.903 -6.362 47 HE3 LYS 6 2HE LYS 6 8.896 2.191 -5.077 48 HZ1 LYS 6 3HZ LYS 6 10.707 1.731 -3.829 49 HZ2 LYS 6 1HZ LYS 6 11.357 3.038 -4.685 50 HZ3 LYS 6 2HZ LYS 6 11.716 1.454 -5.159 51 H ALA 7 H ALA 7 9.494 -2.536 -7.314 52 HA ALA 7 HA ALA 7 10.876 -0.923 -9.216 53 HB1 ALA 7 1HB ALA 7 11.505 -3.379 -7.658 54 HB2 ALA 7 2HB ALA 7 12.519 -2.971 -9.043 55 HB3 ALA 7 3HB ALA 7 12.343 -1.828 -7.711 56 H ALA 8 H ALA 8 9.252 -4.047 -9.336 57 HA ALA 8 HA ALA 8 10.134 -4.745 -11.949 58 HB1 ALA 8 1HB ALA 8 8.799 -6.041 -9.917 59 HB2 ALA 8 2HB ALA 8 7.575 -5.891 -11.179 60 HB3 ALA 8 3HB ALA 8 9.112 -6.682 -11.530 61 H VAL 9 H VAL 9 7.321 -3.044 -10.679 62 HA VAL 9 HA VAL 9 5.974 -2.902 -13.206 63 HB VAL 9 HB VAL 9 4.690 -2.816 -11.137 64 HG11 VAL 9 1HG1 VAL 9 4.787 -0.937 -9.628 65 HG12 VAL 9 2HG1 VAL 9 6.397 -1.642 -9.784 66 HG13 VAL 9 3HG1 VAL 9 6.001 -0.148 -10.634 67 HG21 VAL 9 3HG2 VAL 9 3.820 -0.249 -11.752 68 HG22 VAL 9 1HG2 VAL 9 4.526 -0.851 -13.252 69 HG23 VAL 9 2HG2 VAL 9 3.239 -1.758 -12.457 70 H GLU 10 H GLU 10 8.043 -0.753 -11.319 71 HA GLU 10 HA GLU 10 7.733 1.495 -13.045 72 HB2 GLU 10 1HB GLU 10 9.243 2.588 -11.667 73 HB3 GLU 10 2HB GLU 10 8.553 1.394 -10.577 74 HG2 GLU 10 1HG GLU 10 10.494 -0.060 -10.973 75 HG3 GLU 10 2HG GLU 10 11.191 1.182 -12.011 76 H GLN 11 H GLN 11 9.710 -1.336 -13.081 77 HA GLN 11 HA GLN 11 11.580 -0.220 -15.010 78 HB2 GLN 11 1HB GLN 11 12.837 -2.202 -14.756 79 HB3 GLN 11 2HB GLN 11 12.242 -1.820 -13.146 80 HG2 GLN 11 1HG GLN 11 10.480 -3.477 -13.385 81 HG3 GLN 11 2HG GLN 11 11.032 -3.842 -15.019 82 HE21 GLN 11 2HE2 GLN 11 12.341 -3.606 -11.728 83 HE22 GLN 11 1HE2 GLN 11 13.322 -5.024 -11.833 84 H LEU 12 H LEU 12 8.556 -0.992 -15.359 85 HA LEU 12 HA LEU 12 8.600 -2.957 -17.441 86 HG LEU 12 HG LEU 12 6.891 -2.758 -14.883 87 HB2 LEU 12 1HB LEU 12 6.476 -1.011 -16.560 88 HB3 LEU 12 2HB LEU 12 6.234 -2.255 -17.785 89 HD11 LEU 12 1HD1 LEU 12 4.453 -3.855 -15.343 90 HD12 LEU 12 2HD1 LEU 12 4.373 -2.405 -16.343 91 HD13 LEU 12 3HD1 LEU 12 4.719 -2.269 -14.619 92 HD21 LEU 12 3HD2 LEU 12 7.268 -4.885 -15.408 93 HD22 LEU 12 1HD2 LEU 12 7.312 -4.387 -17.099 94 HD23 LEU 12 2HD2 LEU 12 5.805 -4.968 -16.391 95 H THR 13 H THR 13 7.557 -2.403 -19.610 96 HA THR 13 HA THR 13 9.104 -0.246 -20.787 97 HB THR 13 HB THR 13 9.190 -2.250 -22.045 98 HG1 THR 13 HG1 THR 13 8.996 -0.892 -23.668 99 HG21 THR 13 3HG2 THR 13 6.232 -2.320 -21.601 100 HG22 THR 13 1HG2 THR 13 7.430 -3.590 -21.352 101 HG23 THR 13 2HG2 THR 13 6.933 -3.154 -22.987 102 H GLU 14 H GLU 14 8.110 1.234 -22.356 103 HA GLU 14 HA GLU 14 5.968 2.661 -21.238 104 HB2 GLU 14 1HB GLU 14 6.993 2.787 -24.080 105 HB3 GLU 14 2HB GLU 14 6.028 4.013 -23.270 106 HG2 GLU 14 1HG GLU 14 7.887 4.259 -21.615 107 HG3 GLU 14 2HG GLU 14 8.851 3.198 -22.642 108 H GLU 15 H GLU 15 6.097 0.250 -23.798 109 HA GLU 15 HA GLU 15 3.454 0.582 -24.737 110 HB2 GLU 15 1HB GLU 15 3.837 -1.271 -26.056 111 HB3 GLU 15 2HB GLU 15 5.483 -0.740 -25.738 112 HG2 GLU 15 1HG GLU 15 5.253 -2.394 -23.699 113 HG3 GLU 15 2HG GLU 15 4.029 -3.124 -24.737 114 H GLN 16 H GLN 16 4.798 -1.071 -21.999 115 HA GLN 16 HA GLN 16 2.595 -2.794 -21.488 116 HB2 GLN 16 1HB GLN 16 5.041 -1.948 -20.044 117 HB3 GLN 16 2HB GLN 16 3.714 -2.538 -19.052 118 HG2 GLN 16 1HG GLN 16 3.682 -4.622 -20.298 119 HG3 GLN 16 2HG GLN 16 4.974 -4.031 -21.342 120 HE21 GLN 16 2HE2 GLN 16 4.363 -6.003 -18.845 121 HE22 GLN 16 1HE2 GLN 16 5.896 -5.981 -18.049 122 H LYS 17 H LYS 17 3.629 0.259 -19.964 123 HA LYS 17 HA LYS 17 1.415 0.542 -18.273 124 HB2 LYS 17 1HB LYS 17 3.593 2.266 -19.250 125 HB3 LYS 17 2HB LYS 17 2.136 3.127 -18.773 126 HG2 LYS 17 1HG LYS 17 3.790 2.915 -16.956 127 HG3 LYS 17 2HG LYS 17 2.232 2.183 -16.568 128 HD2 LYS 17 1HD LYS 17 3.095 -0.018 -17.021 129 HD3 LYS 17 2HD LYS 17 4.620 0.657 -17.602 130 HE2 LYS 17 1HE LYS 17 4.698 -0.259 -15.275 131 HE3 LYS 17 2HE LYS 17 5.196 1.426 -15.420 132 HZ1 LYS 17 3HZ LYS 17 2.514 0.501 -14.540 133 HZ2 LYS 17 1HZ LYS 17 3.023 2.111 -14.646 134 HZ3 LYS 17 2HZ LYS 17 3.737 1.072 -13.519 135 H ASN 18 H ASN 18 1.959 1.637 -21.589 136 HA ASN 18 HA ASN 18 -0.347 3.207 -21.866 137 HB2 ASN 18 1HB ASN 18 1.555 1.875 -23.719 138 HB3 ASN 18 2HB ASN 18 -0.004 2.346 -24.387 139 HD21 ASN 18 2HD2 ASN 18 3.014 3.319 -24.248 140 HD22 ASN 18 1HD2 ASN 18 2.818 5.035 -24.194 141 H GLU 19 H GLU 19 0.198 -0.247 -22.370 142 HA GLU 19 HA GLU 19 -2.366 -0.806 -23.442 143 HB2 GLU 19 1HB GLU 19 -0.204 -2.487 -22.210 144 HB3 GLU 19 2HB GLU 19 -1.760 -3.193 -22.625 145 HG2 GLU 19 1HG GLU 19 -1.470 -2.671 -24.929 146 HG3 GLU 19 2HG GLU 19 -0.035 -1.707 -24.587 147 H PHE 20 H PHE 20 -1.029 -0.929 -20.170 148 HA PHE 20 HA PHE 20 -3.314 -2.038 -18.933 149 HD1 PHE 20 HD1 PHE 20 -1.849 -3.546 -19.077 150 HD2 PHE 20 HD2 PHE 20 0.799 -1.080 -16.836 151 HE1 PHE 20 HE1 PHE 20 -0.053 -5.199 -19.386 152 HE2 PHE 20 HE2 PHE 20 2.599 -2.728 -17.143 153 HZ PHE 20 HZ PHE 20 2.175 -4.791 -18.420 154 HB2 PHE 20 1HB PHE 20 -1.287 -0.225 -17.621 155 HB3 PHE 20 2HB PHE 20 -2.284 -1.453 -16.849 156 H LYS 21 H LYS 21 -2.138 1.326 -19.031 157 HA LYS 21 HA LYS 21 -4.257 2.527 -17.709 158 HB2 LYS 21 1HB LYS 21 -2.009 3.509 -18.601 159 HB3 LYS 21 2HB LYS 21 -2.944 3.878 -20.044 160 HG2 LYS 21 1HG LYS 21 -4.350 5.355 -18.892 161 HG3 LYS 21 2HG LYS 21 -3.839 4.745 -17.316 162 HD2 LYS 21 1HD LYS 21 -1.627 5.694 -17.639 163 HD3 LYS 21 2HD LYS 21 -2.075 6.240 -19.257 164 HE2 LYS 21 1HE LYS 21 -3.867 7.626 -18.207 165 HE3 LYS 21 2HE LYS 21 -3.220 7.178 -16.630 166 HZ1 LYS 21 3HZ LYS 21 -1.712 8.768 -16.811 167 HZ2 LYS 21 1HZ LYS 21 -2.389 9.252 -18.284 168 HZ3 LYS 21 2HZ LYS 21 -1.131 8.122 -18.262 169 H ALA 22 H ALA 22 -4.075 1.298 -20.951 170 HA ALA 22 HA ALA 22 -6.426 2.670 -21.887 171 HB1 ALA 22 1HB ALA 22 -4.419 1.773 -23.264 172 HB2 ALA 22 2HB ALA 22 -5.294 0.242 -23.215 173 HB3 ALA 22 3HB ALA 22 -6.047 1.665 -23.935 174 H ALA 23 H ALA 23 -5.662 -0.736 -21.152 175 HA ALA 23 HA ALA 23 -8.265 -1.723 -21.468 176 HB1 ALA 23 1HB ALA 23 -6.818 -3.177 -19.444 177 HB2 ALA 23 2HB ALA 23 -7.267 -3.670 -21.078 178 HB3 ALA 23 3HB ALA 23 -5.770 -2.779 -20.806 179 H PHE 24 H PHE 24 -6.877 0.163 -18.971 180 HA PHE 24 HA PHE 24 -8.601 -0.659 -16.849 181 HD1 PHE 24 HD2 PHE 24 -8.628 3.288 -15.959 182 HD2 PHE 24 HD1 PHE 24 -7.107 -0.305 -14.259 183 HE1 PHE 24 HE2 PHE 24 -9.466 3.982 -13.752 184 HE2 PHE 24 HE1 PHE 24 -7.942 0.382 -12.049 185 HZ PHE 24 HZ PHE 24 -9.122 2.529 -11.793 186 HB2 PHE 24 1HB PHE 24 -6.413 0.427 -16.453 187 HB3 PHE 24 2HB PHE 24 -7.040 1.914 -17.157 188 H ASP 25 H ASP 25 -8.732 1.785 -19.356 189 HA ASP 25 HA ASP 25 -10.897 3.274 -18.307 190 HB2 ASP 25 1HB ASP 25 -9.355 4.085 -20.089 191 HB3 ASP 25 2HB ASP 25 -10.104 2.948 -21.207 192 H ILE 26 H ILE 26 -10.715 0.499 -20.483 193 HA ILE 26 HA ILE 26 -13.455 0.424 -21.163 194 HB ILE 26 HB ILE 26 -11.401 -1.788 -21.126 195 HG12 ILE 26 1HG1 ILE 26 -12.014 -1.230 -23.741 196 HG13 ILE 26 2HG1 ILE 26 -12.107 0.364 -23.000 197 HG21 ILE 26 1HG2 ILE 26 -13.137 -2.726 -22.862 198 HG22 ILE 26 2HG2 ILE 26 -13.332 -3.019 -21.135 199 HG23 ILE 26 3HG2 ILE 26 -14.268 -1.750 -21.924 200 HD11 ILE 26 3HD1 ILE 26 -9.786 -0.537 -21.959 201 HD12 ILE 26 1HD1 ILE 26 -9.785 -1.345 -23.527 202 HD13 ILE 26 2HD1 ILE 26 -9.914 0.412 -23.440 203 H PHE 27 H PHE 27 -11.672 -0.690 -18.398 204 HA PHE 27 HA PHE 27 -13.717 -2.461 -17.438 205 HD1 PHE 27 HD2 PHE 27 -11.236 -2.984 -18.741 206 HD2 PHE 27 HD1 PHE 27 -11.543 -4.257 -14.691 207 HE1 PHE 27 HE2 PHE 27 -10.411 -5.211 -19.383 208 HE2 PHE 27 HE1 PHE 27 -10.718 -6.486 -15.326 209 HZ PHE 27 HZ PHE 27 -10.152 -6.966 -17.674 210 HB2 PHE 27 1HB PHE 27 -11.127 -1.416 -16.367 211 HB3 PHE 27 2HB PHE 27 -12.273 -2.157 -15.255 212 H VAL 28 H VAL 28 -12.712 0.856 -16.782 213 HA VAL 28 HA VAL 28 -14.716 1.199 -14.719 214 HB VAL 28 HB VAL 28 -13.889 3.438 -14.473 215 HG11 VAL 28 1HG1 VAL 28 -11.241 2.419 -14.873 216 HG12 VAL 28 2HG1 VAL 28 -12.124 2.668 -13.366 217 HG13 VAL 28 3HG1 VAL 28 -12.282 1.144 -14.240 218 HG21 VAL 28 3HG2 VAL 28 -12.460 2.929 -17.074 219 HG22 VAL 28 1HG2 VAL 28 -13.669 4.164 -16.724 220 HG23 VAL 28 2HG2 VAL 28 -12.065 4.270 -15.998 221 H LEU 29 H LEU 29 -15.004 0.923 -17.904 222 HA LEU 29 HA LEU 29 -16.335 3.163 -18.855 223 HG LEU 29 HG LEU 29 -14.770 1.850 -20.691 224 HB2 LEU 29 1HB LEU 29 -16.284 0.290 -19.532 225 HB3 LEU 29 2HB LEU 29 -17.665 1.205 -20.133 226 HD11 LEU 29 1HD1 LEU 29 -15.009 0.878 -22.786 227 HD12 LEU 29 2HD1 LEU 29 -16.769 0.856 -22.686 228 HD13 LEU 29 3HD1 LEU 29 -15.817 -0.268 -21.717 229 HD21 LEU 29 3HD2 LEU 29 -15.490 3.829 -21.382 230 HD22 LEU 29 1HD2 LEU 29 -17.133 3.418 -20.887 231 HD23 LEU 29 2HD2 LEU 29 -16.582 3.036 -22.519 232 H GLY 30 H GLY 30 -17.393 0.737 -16.619 233 HA2 GLY 30 1HA GLY 30 -20.196 1.477 -16.863 234 HA3 GLY 30 2HA GLY 30 -19.527 0.261 -15.785 235 H ALA 31 H ALA 31 -17.475 2.193 -14.813 236 HA ALA 31 HA ALA 31 -19.002 3.246 -12.637 237 HB1 ALA 31 1HB ALA 31 -16.876 2.535 -12.022 238 HB2 ALA 31 2HB ALA 31 -16.105 3.334 -13.393 239 HB3 ALA 31 3HB ALA 31 -16.724 4.293 -12.049 240 H GLU 32 H GLU 32 -18.736 5.556 -11.928 241 HA GLU 32 HA GLU 32 -19.136 7.320 -14.247 242 HB2 GLU 32 1HB GLU 32 -20.235 7.334 -11.454 243 HB3 GLU 32 2HB GLU 32 -20.202 8.814 -12.402 244 HG2 GLU 32 1HG GLU 32 -21.406 7.432 -14.206 245 HG3 GLU 32 2HG GLU 32 -21.737 6.297 -12.898 246 H ASP 33 H ASP 33 -17.375 6.919 -11.249 247 HA ASP 33 HA ASP 33 -16.072 9.505 -11.519 248 HB2 ASP 33 1HB ASP 33 -15.589 7.316 -9.486 249 HB3 ASP 33 2HB ASP 33 -14.988 8.970 -9.405 250 H GLY 34 H GLY 34 -15.443 6.132 -12.128 251 HA2 GLY 34 1HA GLY 34 -13.801 5.639 -13.870 252 HA3 GLY 34 2HA GLY 34 -12.785 6.890 -13.169 253 H CYS 35 H CYS 35 -14.532 4.091 -11.818 254 HA CYS 35 HA CYS 35 -11.989 2.929 -10.987 255 HG CYS 35 HG CYS 35 -11.055 3.616 -7.889 256 HB2 CYS 35 1HB CYS 35 -14.092 3.980 -9.146 257 HB3 CYS 35 2HB CYS 35 -13.242 2.509 -8.689 258 H ILE 36 H ILE 36 -12.506 0.764 -9.770 259 HA ILE 36 HA ILE 36 -14.761 -0.563 -11.120 260 HB ILE 36 HB ILE 36 -11.998 -1.728 -10.751 261 HG12 ILE 36 1HG1 ILE 36 -13.004 -1.588 -13.468 262 HG13 ILE 36 2HG1 ILE 36 -12.938 0.010 -12.732 263 HG21 ILE 36 1HG2 ILE 36 -13.408 -3.555 -10.602 264 HG22 ILE 36 2HG2 ILE 36 -14.593 -2.861 -11.707 265 HG23 ILE 36 3HG2 ILE 36 -13.068 -3.490 -12.331 266 HD11 ILE 36 3HD1 ILE 36 -10.787 0.072 -13.227 267 HD12 ILE 36 1HD1 ILE 36 -10.524 -1.229 -12.066 268 HD13 ILE 36 2HD1 ILE 36 -10.815 -1.608 -13.764 269 H SER 37 H SER 37 -16.125 -1.336 -9.664 270 HA SER 37 HA SER 37 -15.178 -1.945 -6.969 271 HG SER 37 HG SER 37 -19.098 -1.497 -7.976 272 HB2 SER 37 1HB SER 37 -17.502 -1.913 -6.310 273 HB3 SER 37 2HB SER 37 -17.192 -0.495 -7.313 274 H THR 38 H THR 38 -15.754 -3.914 -5.904 275 HA THR 38 HA THR 38 -15.183 -6.228 -7.329 276 HB THR 38 HB THR 38 -14.874 -6.301 -4.983 277 HG1 THR 38 HG1 THR 38 -17.203 -7.883 -5.283 278 HG21 THR 38 3HG2 THR 38 -17.420 -6.345 -3.820 279 HG22 THR 38 1HG2 THR 38 -17.431 -4.970 -4.923 280 HG23 THR 38 2HG2 THR 38 -16.199 -5.082 -3.666 281 H LYS 39 H LYS 39 -18.183 -4.560 -6.926 282 HA LYS 39 HA LYS 39 -19.966 -6.683 -7.445 283 HB2 LYS 39 1HB LYS 39 -20.315 -3.744 -8.067 284 HB3 LYS 39 2HB LYS 39 -21.602 -4.939 -7.963 285 HG2 LYS 39 1HG LYS 39 -19.794 -4.361 -5.641 286 HG3 LYS 39 2HG LYS 39 -21.243 -3.405 -5.962 287 HD2 LYS 39 1HD LYS 39 -21.410 -6.390 -5.843 288 HD3 LYS 39 2HD LYS 39 -21.370 -5.447 -4.351 289 HE2 LYS 39 1HE LYS 39 -23.340 -5.049 -6.600 290 HE3 LYS 39 2HE LYS 39 -23.665 -5.956 -5.124 291 HZ1 LYS 39 3HZ LYS 39 -24.492 -3.919 -4.569 292 HZ2 LYS 39 1HZ LYS 39 -23.370 -3.064 -5.502 293 HZ3 LYS 39 2HZ LYS 39 -22.904 -3.730 -4.019 294 H GLU 40 H GLU 40 -18.792 -4.120 -9.636 295 HA GLU 40 HA GLU 40 -19.822 -5.444 -11.956 296 HB2 GLU 40 1HB GLU 40 -17.754 -3.251 -11.939 297 HB3 GLU 40 2HB GLU 40 -18.908 -3.642 -13.207 298 HG2 GLU 40 1HG GLU 40 -19.570 -2.507 -10.500 299 HG3 GLU 40 2HG GLU 40 -19.550 -1.623 -12.025 300 H LEU 41 H LEU 41 -16.684 -5.198 -10.387 301 HA LEU 41 HA LEU 41 -15.024 -6.203 -12.353 302 HG LEU 41 HG LEU 41 -13.289 -8.187 -10.214 303 HB2 LEU 41 1HB LEU 41 -14.218 -5.334 -10.227 304 HB3 LEU 41 2HB LEU 41 -14.916 -6.714 -9.383 305 HD11 LEU 41 1HD1 LEU 41 -11.542 -7.026 -11.879 306 HD12 LEU 41 2HD1 LEU 41 -13.007 -6.164 -12.345 307 HD13 LEU 41 3HD1 LEU 41 -12.955 -7.925 -12.432 308 HD21 LEU 41 3HD2 LEU 41 -12.080 -5.520 -9.529 309 HD22 LEU 41 1HD2 LEU 41 -11.112 -6.978 -9.748 310 HD23 LEU 41 2HD2 LEU 41 -12.332 -6.913 -8.475 311 H GLY 42 H GLY 42 -17.268 -7.902 -10.258 312 HA2 GLY 42 1HA GLY 42 -16.317 -10.525 -10.856 313 HA3 GLY 42 2HA GLY 42 -17.865 -10.122 -10.127 314 H LYS 43 H LYS 43 -18.542 -8.343 -12.414 315 HA LYS 43 HA LYS 43 -19.876 -10.292 -14.001 316 HB2 LYS 43 1HB LYS 43 -19.551 -7.307 -14.337 317 HB3 LYS 43 2HB LYS 43 -20.567 -8.302 -15.372 318 HG2 LYS 43 1HG LYS 43 -20.901 -7.989 -12.396 319 HG3 LYS 43 2HG LYS 43 -21.844 -7.147 -13.627 320 HD2 LYS 43 1HD LYS 43 -21.713 -10.139 -13.247 321 HD3 LYS 43 2HD LYS 43 -23.043 -9.093 -12.743 322 HE2 LYS 43 1HE LYS 43 -23.095 -8.373 -15.228 323 HE3 LYS 43 2HE LYS 43 -22.170 -9.847 -15.507 324 HZ1 LYS 43 3HZ LYS 43 -24.922 -9.570 -14.474 325 HZ2 LYS 43 1HZ LYS 43 -24.025 -10.977 -14.195 326 HZ3 LYS 43 2HZ LYS 43 -24.368 -10.494 -15.779 327 H VAL 44 H VAL 44 -17.337 -7.915 -14.795 328 HA VAL 44 HA VAL 44 -16.869 -8.622 -17.415 329 HB VAL 44 HB VAL 44 -14.811 -7.769 -15.374 330 HG11 VAL 44 1HG1 VAL 44 -14.708 -8.129 -18.332 331 HG12 VAL 44 2HG1 VAL 44 -13.779 -6.824 -17.591 332 HG13 VAL 44 3HG1 VAL 44 -13.492 -8.497 -17.109 333 HG21 VAL 44 3HG2 VAL 44 -15.267 -5.570 -16.815 334 HG22 VAL 44 1HG2 VAL 44 -16.852 -6.328 -16.964 335 HG23 VAL 44 2HG2 VAL 44 -16.194 -5.966 -15.369 336 H MET 45 H MET 45 -15.894 -10.272 -14.495 337 HA MET 45 HA MET 45 -13.859 -11.900 -15.411 338 HB2 MET 45 1HB MET 45 -16.064 -12.569 -13.455 339 HB3 MET 45 2HB MET 45 -14.600 -13.519 -13.670 340 HG2 MET 45 1HG MET 45 -14.141 -10.674 -13.149 341 HG3 MET 45 2HG MET 45 -14.927 -11.549 -11.837 342 HE1 MET 45 3HE MET 45 -10.983 -13.059 -13.679 343 HE2 MET 45 1HE MET 45 -12.570 -13.620 -14.205 344 HE3 MET 45 2HE MET 45 -12.093 -11.945 -14.479 345 H ARG 46 H ARG 46 -17.287 -12.093 -16.021 346 HA ARG 46 HA ARG 46 -17.447 -14.745 -16.920 347 HE ARG 46 HE ARG 46 -19.519 -9.571 -18.399 348 HB2 ARG 46 1HB ARG 46 -19.549 -14.174 -17.832 349 HB3 ARG 46 2HB ARG 46 -19.358 -13.140 -16.422 350 HG2 ARG 46 1HG ARG 46 -18.378 -11.473 -18.222 351 HG3 ARG 46 2HG ARG 46 -19.382 -12.440 -19.303 352 HD2 ARG 46 1HD ARG 46 -21.342 -11.796 -18.279 353 HD3 ARG 46 2HD ARG 46 -20.544 -11.435 -16.748 354 HH11 ARG 46 1HH1 ARG 46 -22.779 -10.587 -17.721 355 HH12 ARG 46 2HH1 ARG 46 -23.468 -9.028 -18.030 356 HH21 ARG 46 1HH2 ARG 46 -20.415 -7.513 -18.809 357 HH22 ARG 46 2HH2 ARG 46 -22.123 -7.280 -18.650 358 H MET 47 H MET 47 -16.390 -11.805 -18.499 359 HA MET 47 HA MET 47 -16.420 -12.773 -21.155 360 HB2 MET 47 1HB MET 47 -14.822 -10.574 -19.840 361 HB3 MET 47 2HB MET 47 -14.786 -10.897 -21.568 362 HG2 MET 47 1HG MET 47 -17.419 -10.476 -20.259 363 HG3 MET 47 2HG MET 47 -16.379 -9.082 -20.539 364 HE1 MET 47 3HE MET 47 -18.594 -8.145 -22.906 365 HE2 MET 47 1HE MET 47 -17.229 -7.753 -21.859 366 HE3 MET 47 2HE MET 47 -16.995 -7.878 -23.603 367 H LEU 48 H LEU 48 -13.973 -12.803 -18.612 368 HA LEU 48 HA LEU 48 -11.883 -13.837 -20.239 369 HG LEU 48 HG LEU 48 -12.534 -11.843 -17.530 370 HB2 LEU 48 1HB LEU 48 -12.098 -14.192 -17.266 371 HB3 LEU 48 2HB LEU 48 -10.642 -14.076 -18.252 372 HD11 LEU 48 1HD1 LEU 48 -10.968 -11.116 -16.059 373 HD12 LEU 48 2HD1 LEU 48 -9.623 -11.777 -16.988 374 HD13 LEU 48 3HD1 LEU 48 -10.611 -12.842 -15.988 375 HD21 LEU 48 3HD2 LEU 48 -11.791 -11.567 -19.828 376 HD22 LEU 48 1HD2 LEU 48 -10.115 -11.804 -19.331 377 HD23 LEU 48 2HD2 LEU 48 -11.006 -10.386 -18.778 378 H GLY 49 H GLY 49 -14.561 -15.257 -18.568 379 HA2 GLY 49 1HA GLY 49 -15.256 -17.466 -19.358 380 HA3 GLY 49 2HA GLY 49 -13.560 -17.925 -19.345 381 H GLN 50 H GLN 50 -13.896 -16.090 -16.682 382 HA GLN 50 HA GLN 50 -14.463 -18.437 -14.999 383 HB2 GLN 50 1HB GLN 50 -12.569 -16.141 -14.713 384 HB3 GLN 50 2HB GLN 50 -13.192 -16.918 -13.264 385 HG2 GLN 50 1HG GLN 50 -12.385 -19.099 -14.221 386 HG3 GLN 50 2HG GLN 50 -11.562 -18.155 -15.462 387 HE21 GLN 50 2HE2 GLN 50 -10.095 -16.434 -14.624 388 HE22 GLN 50 1HE2 GLN 50 -9.145 -16.808 -13.231 389 H ASN 51 H ASN 51 -15.734 -18.198 -13.138 390 HA ASN 51 HA ASN 51 -17.153 -15.655 -12.813 391 HB2 ASN 51 1HB ASN 51 -18.600 -16.991 -14.238 392 HB3 ASN 51 2HB ASN 51 -18.489 -18.351 -13.126 393 HD21 ASN 51 2HD2 ASN 51 -19.443 -14.944 -13.236 394 HD22 ASN 51 1HD2 ASN 51 -20.774 -15.103 -12.146 395 HA PRO 52 HA PRO 52 -15.749 -17.611 -8.814 396 HB2 PRO 52 1HB PRO 52 -14.477 -15.400 -7.886 397 HB3 PRO 52 2HB PRO 52 -13.687 -16.603 -8.913 398 HG2 PRO 52 1HG PRO 52 -14.871 -13.958 -9.662 399 HG3 PRO 52 2HG PRO 52 -13.346 -14.692 -10.193 400 HD2 PRO 52 1HD PRO 52 -15.585 -14.721 -11.716 401 HD3 PRO 52 2HD PRO 52 -14.389 -16.032 -11.751 402 H THR 53 H THR 53 -16.331 -16.951 -6.628 403 HA THR 53 HA THR 53 -18.939 -15.904 -6.467 404 HB THR 53 HB THR 53 -18.153 -15.704 -3.906 405 HG1 THR 53 HG1 THR 53 -16.595 -17.511 -3.666 406 HG21 THR 53 3HG2 THR 53 -18.612 -18.345 -5.296 407 HG22 THR 53 1HG2 THR 53 -19.885 -17.210 -4.850 408 HG23 THR 53 2HG2 THR 53 -18.912 -17.980 -3.597 409 HA PRO 54 HA PRO 54 -18.441 -11.566 -6.032 410 HB2 PRO 54 1HB PRO 54 -20.283 -10.962 -4.132 411 HB3 PRO 54 2HB PRO 54 -20.721 -11.429 -5.780 412 HG2 PRO 54 1HG PRO 54 -20.676 -13.089 -3.289 413 HG3 PRO 54 2HG PRO 54 -21.893 -13.037 -4.578 414 HD2 PRO 54 1HD PRO 54 -20.021 -14.987 -4.420 415 HD3 PRO 54 2HD PRO 54 -20.661 -14.401 -5.969 416 H GLU 55 H GLU 55 -18.773 -13.132 -2.842 417 HA GLU 55 HA GLU 55 -17.419 -11.127 -1.400 418 HB2 GLU 55 1HB GLU 55 -17.581 -14.047 -0.653 419 HB3 GLU 55 2HB GLU 55 -17.374 -12.678 0.430 420 HG2 GLU 55 1HG GLU 55 -19.573 -12.898 0.751 421 HG3 GLU 55 2HG GLU 55 -19.701 -12.015 -0.769 422 H GLU 56 H GLU 56 -16.303 -13.872 -3.230 423 HA GLU 56 HA GLU 56 -13.696 -14.043 -2.150 424 HB2 GLU 56 1HB GLU 56 -15.113 -15.097 -4.516 425 HB3 GLU 56 2HB GLU 56 -13.369 -14.951 -4.688 426 HG2 GLU 56 1HG GLU 56 -13.099 -16.276 -2.616 427 HG3 GLU 56 2HG GLU 56 -14.847 -16.498 -2.572 428 H LEU 57 H LEU 57 -15.079 -12.183 -4.807 429 HA LEU 57 HA LEU 57 -12.694 -11.204 -5.905 430 HG LEU 57 HG LEU 57 -13.417 -10.991 -8.001 431 HB2 LEU 57 1HB LEU 57 -15.545 -10.477 -5.990 432 HB3 LEU 57 2HB LEU 57 -14.421 -9.169 -6.354 433 HD11 LEU 57 1HD1 LEU 57 -14.753 -12.846 -7.607 434 HD12 LEU 57 2HD1 LEU 57 -15.485 -12.127 -9.041 435 HD13 LEU 57 3HD1 LEU 57 -16.223 -11.882 -7.458 436 HD21 LEU 57 3HD2 LEU 57 -15.939 -9.495 -8.687 437 HD22 LEU 57 1HD2 LEU 57 -14.621 -9.945 -9.769 438 HD23 LEU 57 2HD2 LEU 57 -14.359 -8.728 -8.519 439 H GLN 58 H GLN 58 -14.901 -9.636 -3.581 440 HA GLN 58 HA GLN 58 -13.363 -7.363 -3.111 441 HB2 GLN 58 1HB GLN 58 -15.597 -7.359 -2.331 442 HB3 GLN 58 2HB GLN 58 -15.359 -8.834 -1.403 443 HG2 GLN 58 1HG GLN 58 -14.439 -7.752 0.350 444 HG3 GLN 58 2HG GLN 58 -13.665 -6.535 -0.665 445 HE21 GLN 58 2HE2 GLN 58 -14.641 -4.616 -0.965 446 HE22 GLN 58 1HE2 GLN 58 -16.173 -4.181 -0.296 447 H GLU 59 H GLU 59 -12.955 -10.611 -2.003 448 HA GLU 59 HA GLU 59 -11.435 -10.184 0.308 449 HB2 GLU 59 1HB GLU 59 -12.398 -12.379 -0.785 450 HB3 GLU 59 2HB GLU 59 -10.804 -12.463 -1.522 451 HG2 GLU 59 1HG GLU 59 -10.464 -13.702 0.361 452 HG3 GLU 59 2HG GLU 59 -9.980 -12.106 0.934 453 H MET 60 H MET 60 -10.325 -10.788 -3.027 454 HA MET 60 HA MET 60 -7.587 -10.336 -2.431 455 HB2 MET 60 1HB MET 60 -9.066 -10.287 -5.067 456 HB3 MET 60 2HB MET 60 -7.316 -10.239 -4.906 457 HG2 MET 60 1HG MET 60 -7.433 -12.430 -3.732 458 HG3 MET 60 2HG MET 60 -9.153 -12.480 -4.109 459 HE1 MET 60 3HE MET 60 -7.673 -15.119 -5.439 460 HE2 MET 60 1HE MET 60 -6.249 -14.592 -6.337 461 HE3 MET 60 2HE MET 60 -6.433 -14.153 -4.639 462 H ILE 61 H ILE 61 -10.229 -8.273 -3.415 463 HA ILE 61 HA ILE 61 -8.673 -6.040 -4.209 464 HB ILE 61 HB ILE 61 -11.525 -6.182 -3.231 465 HG12 ILE 61 1HG1 ILE 61 -10.350 -5.983 -6.012 466 HG13 ILE 61 2HG1 ILE 61 -11.105 -7.410 -5.312 467 HG21 ILE 61 1HG2 ILE 61 -10.029 -3.900 -4.510 468 HG22 ILE 61 2HG2 ILE 61 -11.773 -3.948 -4.263 469 HG23 ILE 61 3HG2 ILE 61 -10.686 -3.950 -2.875 470 HD11 ILE 61 3HD1 ILE 61 -12.307 -5.086 -6.572 471 HD12 ILE 61 1HD1 ILE 61 -12.960 -6.703 -6.309 472 HD13 ILE 61 2HD1 ILE 61 -13.045 -5.498 -5.024 473 H ASP 62 H ASP 62 -9.588 -7.310 -1.142 474 HA ASP 62 HA ASP 62 -9.427 -4.943 0.397 475 HB2 ASP 62 1HB ASP 62 -10.500 -6.966 1.254 476 HB3 ASP 62 2HB ASP 62 -8.960 -7.820 1.210 477 H GLU 63 H GLU 63 -7.049 -7.516 -0.231 478 HA GLU 63 HA GLU 63 -4.952 -6.214 1.190 479 HB2 GLU 63 1HB GLU 63 -5.343 -8.707 -0.171 480 HB3 GLU 63 2HB GLU 63 -3.845 -7.978 -0.731 481 HG2 GLU 63 1HG GLU 63 -2.794 -8.447 1.166 482 HG3 GLU 63 2HG GLU 63 -4.117 -7.818 2.147 483 H VAL 64 H VAL 64 -6.231 -5.933 -1.994 484 HA VAL 64 HA VAL 64 -3.868 -4.744 -3.146 485 HB VAL 64 HB VAL 64 -6.700 -4.893 -4.186 486 HG11 VAL 64 1HG1 VAL 64 -4.473 -3.327 -5.064 487 HG12 VAL 64 2HG1 VAL 64 -4.854 -4.546 -6.282 488 HG13 VAL 64 3HG1 VAL 64 -6.100 -3.423 -5.737 489 HG21 VAL 64 3HG2 VAL 64 -6.194 -6.872 -5.139 490 HG22 VAL 64 1HG2 VAL 64 -4.531 -6.396 -5.486 491 HG23 VAL 64 2HG2 VAL 64 -4.970 -6.951 -3.871 492 H ASP 65 H ASP 65 -7.100 -3.577 -2.214 493 HA ASP 65 HA ASP 65 -6.612 -0.863 -2.786 494 HB2 ASP 65 1HB ASP 65 -8.843 -2.153 -2.268 495 HB3 ASP 65 2HB ASP 65 -8.499 -1.675 -0.608 496 H GLU 66 H GLU 66 -4.889 0.132 -1.919 497 HA GLU 66 HA GLU 66 -3.891 -0.398 0.688 498 HB2 GLU 66 1HB GLU 66 -3.363 1.969 -1.118 499 HB3 GLU 66 2HB GLU 66 -2.413 1.522 0.292 500 HG2 GLU 66 1HG GLU 66 -2.015 -0.699 -0.889 501 HG3 GLU 66 2HG GLU 66 -2.644 0.093 -2.332 502 H ASP 67 H ASP 67 -6.111 1.961 -0.642 503 HA ASP 67 HA ASP 67 -6.295 3.331 1.937 504 HB2 ASP 67 1HB ASP 67 -7.862 4.861 0.605 505 HB3 ASP 67 2HB ASP 67 -6.154 4.889 0.174 506 H GLY 68 H GLY 68 -7.732 0.784 0.334 507 HA2 GLY 68 1HA GLY 68 -9.653 -0.422 0.686 508 HA3 GLY 68 2HA GLY 68 -9.681 0.323 2.277 509 H SER 69 H SER 69 -9.977 1.889 -0.884 510 HA SER 69 HA SER 69 -12.234 3.405 -0.025 511 HG SER 69 HG SER 69 -10.220 3.529 -3.524 512 HB2 SER 69 1HB SER 69 -12.297 4.059 -2.507 513 HB3 SER 69 2HB SER 69 -10.840 4.475 -1.605 514 H GLY 70 H GLY 70 -11.852 0.303 -1.395 515 HA2 GLY 70 1HA GLY 70 -13.708 -1.223 -1.389 516 HA3 GLY 70 2HA GLY 70 -14.769 0.129 -1.755 517 H THR 71 H THR 71 -12.126 0.579 -3.629 518 HA THR 71 HA THR 71 -12.934 -1.228 -5.773 519 HB THR 71 HB THR 71 -13.198 0.524 -7.416 520 HG1 THR 71 HG1 THR 71 -12.920 2.425 -5.317 521 HG21 THR 71 3HG2 THR 71 -14.863 1.413 -5.079 522 HG22 THR 71 1HG2 THR 71 -15.121 -0.151 -5.850 523 HG23 THR 71 2HG2 THR 71 -15.306 1.334 -6.784 524 H VAL 72 H VAL 72 -11.439 -1.066 -7.667 525 HA VAL 72 HA VAL 72 -8.704 -0.612 -6.699 526 HB VAL 72 HB VAL 72 -9.921 -2.524 -8.601 527 HG11 VAL 72 1HG1 VAL 72 -8.577 -1.452 -10.209 528 HG12 VAL 72 2HG1 VAL 72 -7.245 -1.238 -9.071 529 HG13 VAL 72 3HG1 VAL 72 -7.640 -2.847 -9.675 530 HG21 VAL 72 3HG2 VAL 72 -9.045 -3.936 -7.128 531 HG22 VAL 72 1HG2 VAL 72 -7.426 -3.337 -7.489 532 HG23 VAL 72 2HG2 VAL 72 -8.387 -2.572 -6.223 533 H ASP 73 H ASP 73 -7.564 1.046 -7.439 534 HA ASP 73 HA ASP 73 -8.579 2.541 -9.743 535 HB2 ASP 73 1HB ASP 73 -6.833 4.247 -8.930 536 HB3 ASP 73 2HB ASP 73 -8.254 3.990 -7.921 537 H PHE 74 H PHE 74 -6.860 3.563 -11.157 538 HA PHE 74 HA PHE 74 -5.486 1.644 -12.578 539 HD1 PHE 74 HD1 PHE 74 -4.284 1.421 -14.152 540 HD2 PHE 74 HD2 PHE 74 -3.410 5.583 -13.982 541 HE1 PHE 74 HE1 PHE 74 -2.501 1.111 -15.819 542 HE2 PHE 74 HE2 PHE 74 -1.627 5.280 -15.650 543 HZ PHE 74 HZ PHE 74 -1.171 3.043 -16.571 544 HB2 PHE 74 1HB PHE 74 -5.981 3.874 -13.467 545 HB3 PHE 74 2HB PHE 74 -4.819 4.586 -12.353 546 H ASP 75 H ASP 75 -4.432 3.501 -9.803 547 HA ASP 75 HA ASP 75 -1.676 2.896 -9.965 548 HB2 ASP 75 1HB ASP 75 -3.455 3.711 -7.668 549 HB3 ASP 75 2HB ASP 75 -1.724 3.443 -7.474 550 H GLU 76 H GLU 76 -4.153 1.539 -7.780 551 HA GLU 76 HA GLU 76 -2.516 -0.582 -6.881 552 HB2 GLU 76 1HB GLU 76 -5.528 -0.319 -6.863 553 HB3 GLU 76 2HB GLU 76 -4.617 -1.531 -5.974 554 HG2 GLU 76 1HG GLU 76 -3.867 -0.040 -4.423 555 HG3 GLU 76 2HG GLU 76 -3.937 1.324 -5.537 556 H TRP 77 H TRP 77 -4.403 -0.142 -9.717 557 HA TRP 77 HA TRP 77 -4.896 -2.867 -10.337 558 HD1 TRP 77 HD1 TRP 77 -7.782 -2.648 -12.071 559 HE1 TRP 77 HE1 TRP 77 -7.969 -4.219 -14.102 560 HE3 TRP 77 HE3 TRP 77 -3.089 -2.035 -14.005 561 HZ2 TRP 77 HZ2 TRP 77 -6.342 -5.083 -16.240 562 HZ3 TRP 77 HZ3 TRP 77 -2.484 -3.270 -16.045 563 HH2 TRP 77 HH2 TRP 77 -4.078 -4.763 -17.138 564 HB2 TRP 77 1HB TRP 77 -6.049 -0.833 -11.340 565 HB3 TRP 77 2HB TRP 77 -4.612 -0.624 -12.338 566 H LEU 78 H LEU 78 -2.407 -0.577 -11.448 567 HA LEU 78 HA LEU 78 -1.020 -2.273 -13.150 568 HG LEU 78 HG LEU 78 -1.497 0.772 -13.222 569 HB2 LEU 78 1HB LEU 78 -0.072 0.000 -11.424 570 HB3 LEU 78 2HB LEU 78 0.977 -0.828 -12.573 571 HD11 LEU 78 1HD1 LEU 78 1.308 1.425 -12.975 572 HD12 LEU 78 2HD1 LEU 78 -0.083 2.486 -13.193 573 HD13 LEU 78 3HD1 LEU 78 0.700 1.760 -14.597 574 HD21 LEU 78 3HD2 LEU 78 0.142 -1.123 -14.810 575 HD22 LEU 78 1HD2 LEU 78 -0.377 0.367 -15.597 576 HD23 LEU 78 2HD2 LEU 78 -1.576 -0.736 -14.922 577 H VAL 79 H VAL 79 -0.372 -1.634 -9.704 578 HA VAL 79 HA VAL 79 1.733 -3.462 -9.420 579 HB VAL 79 HB VAL 79 1.153 -3.428 -6.974 580 HG11 VAL 79 1HG1 VAL 79 2.613 -1.753 -7.123 581 HG12 VAL 79 2HG1 VAL 79 1.962 -1.230 -8.677 582 HG13 VAL 79 3HG1 VAL 79 1.229 -0.663 -7.176 583 HG21 VAL 79 3HG2 VAL 79 -1.278 -3.146 -7.252 584 HG22 VAL 79 1HG2 VAL 79 -0.578 -1.910 -6.206 585 HG23 VAL 79 2HG2 VAL 79 -1.004 -1.517 -7.871 586 H MET 80 H MET 80 -1.719 -3.905 -9.448 587 HA MET 80 HA MET 80 -1.991 -6.328 -8.133 588 HB2 MET 80 1HB MET 80 -3.750 -4.747 -9.274 589 HB3 MET 80 2HB MET 80 -3.530 -5.821 -10.649 590 HG2 MET 80 1HG MET 80 -3.953 -7.689 -8.868 591 HG3 MET 80 2HG MET 80 -4.720 -6.374 -7.980 592 HE1 MET 80 3HE MET 80 -5.806 -5.094 -11.456 593 HE2 MET 80 1HE MET 80 -7.290 -5.058 -10.502 594 HE3 MET 80 2HE MET 80 -5.761 -4.567 -9.773 595 H MET 81 H MET 81 -1.515 -5.839 -11.637 596 HA MET 81 HA MET 81 -1.151 -8.593 -12.194 597 HB2 MET 81 1HB MET 81 -0.195 -7.720 -14.376 598 HB3 MET 81 2HB MET 81 -1.838 -7.220 -13.997 599 HG2 MET 81 1HG MET 81 -1.107 -5.049 -13.345 600 HG3 MET 81 2HG MET 81 0.585 -5.532 -13.442 601 HE1 MET 81 3HE MET 81 -2.556 -6.019 -15.761 602 HE2 MET 81 1HE MET 81 -1.772 -5.926 -17.339 603 HE3 MET 81 2HE MET 81 -1.345 -7.218 -16.217 604 H ALA 82 H ALA 82 1.080 -5.935 -11.547 605 HA ALA 82 HA ALA 82 3.479 -7.216 -12.177 606 HB1 ALA 82 1HB ALA 82 2.669 -4.855 -10.661 607 HB2 ALA 82 2HB ALA 82 4.167 -5.589 -10.087 608 HB3 ALA 82 3HB ALA 82 4.021 -5.084 -11.770 609 H ARG 83 H ARG 83 1.523 -7.308 -9.250 610 HA ARG 83 HA ARG 83 3.424 -8.686 -7.652 611 HE ARG 83 HE ARG 83 0.407 -7.675 -4.122 612 HB2 ARG 83 1HB ARG 83 0.433 -8.358 -7.430 613 HB3 ARG 83 2HB ARG 83 1.389 -9.226 -6.237 614 HG2 ARG 83 1HG ARG 83 2.323 -7.333 -5.398 615 HG3 ARG 83 2HG ARG 83 2.250 -6.481 -6.941 616 HD2 ARG 83 1HD ARG 83 0.609 -5.364 -5.820 617 HD3 ARG 83 2HD ARG 83 -0.352 -6.672 -6.510 618 HH11 ARG 83 1HH1 ARG 83 -1.086 -4.679 -5.075 619 HH12 ARG 83 2HH1 ARG 83 -1.958 -4.490 -3.590 620 HH21 ARG 83 1HH2 ARG 83 -0.734 -7.438 -2.162 621 HH22 ARG 83 2HH2 ARG 83 -1.756 -6.059 -1.933 622 H CYS 84 H CYS 84 1.183 -9.673 -10.081 623 HA CYS 84 HA CYS 84 0.886 -12.384 -9.304 624 HG CYS 84 HG CYS 84 -2.048 -11.903 -10.146 625 HB2 CYS 84 1HB CYS 84 0.652 -11.157 -12.060 626 HB3 CYS 84 2HB CYS 84 0.045 -12.737 -11.581 627 H MET 85 H MET 85 3.440 -10.639 -10.774 628 HA MET 85 HA MET 85 4.656 -12.894 -12.084 629 HB2 MET 85 1HB MET 85 6.132 -11.401 -12.954 630 HB3 MET 85 2HB MET 85 4.888 -10.253 -12.479 631 HG2 MET 85 1HG MET 85 6.098 -9.872 -10.363 632 HG3 MET 85 2HG MET 85 7.371 -10.950 -10.931 633 HE1 MET 85 3HE MET 85 5.767 -7.321 -11.301 634 HE2 MET 85 1HE MET 85 6.280 -6.952 -12.948 635 HE3 MET 85 2HE MET 85 5.163 -8.284 -12.650 636 H LYS 86 H LYS 86 4.749 -11.448 -8.941 637 HA LYS 86 HA LYS 86 6.046 -11.817 -7.087 638 HB2 LYS 86 1HB LYS 86 4.616 -13.982 -7.616 639 HB3 LYS 86 2HB LYS 86 6.204 -14.696 -7.862 640 HG2 LYS 86 1HG LYS 86 6.241 -15.072 -5.676 641 HG3 LYS 86 2HG LYS 86 6.457 -13.332 -5.470 642 HD2 LYS 86 1HD LYS 86 3.868 -13.248 -5.624 643 HD3 LYS 86 2HD LYS 86 3.960 -14.971 -5.251 644 HE2 LYS 86 1HE LYS 86 5.611 -13.272 -3.528 645 HE3 LYS 86 2HE LYS 86 3.881 -12.959 -3.406 646 HZ1 LYS 86 3HZ LYS 86 3.463 -15.126 -2.714 647 HZ2 LYS 86 1HZ LYS 86 4.878 -14.717 -1.883 648 HZ3 LYS 86 2HZ LYS 86 4.958 -15.705 -3.253 649 H ASP 87 H ASP 87 7.672 -10.854 -9.008 650 HA ASP 87 HA ASP 87 9.814 -10.774 -9.796 651 HB2 ASP 87 1HB ASP 87 9.985 -10.719 -7.200 652 HB3 ASP 87 2HB ASP 87 10.633 -12.347 -7.373 653 H ASP 88 H ASP 88 8.536 -12.717 -11.105 654 HA ASP 88 HA ASP 88 10.129 -15.158 -10.955 655 HB2 ASP 88 1HB ASP 88 7.700 -15.397 -11.165 656 HB3 ASP 88 2HB ASP 88 7.728 -14.473 -12.664 657 H SER 89 H SER 89 9.006 -13.031 -13.594 658 HA SER 89 HA SER 89 11.251 -13.849 -15.235 659 HG SER 89 HG SER 89 7.811 -12.270 -15.558 660 HB2 SER 89 1HB SER 89 10.176 -12.296 -16.923 661 HB3 SER 89 2HB SER 89 9.167 -13.641 -16.390 Start of MODEL 29 1 HA MET 1 HA MET 1 0.765 -4.098 -2.650 2 H1 MET 1 H MET 1 0.440 -6.003 -0.438 3 HB2 MET 1 1HB MET 1 -1.115 -3.343 -1.263 4 HB3 MET 1 2HB MET 1 -0.088 -3.393 0.164 5 HG2 MET 1 1HG MET 1 1.401 -1.729 -1.098 6 HG3 MET 1 2HG MET 1 0.007 -1.503 -2.152 7 HE1 MET 1 3HE MET 1 0.827 0.701 1.588 8 HE2 MET 1 1HE MET 1 1.564 -0.887 1.370 9 HE3 MET 1 2HE MET 1 1.779 0.360 0.142 10 H ASP 2 H ASP 2 2.920 -4.906 -2.792 11 HA ASP 2 HA ASP 2 4.665 -3.980 -0.604 12 HB2 ASP 2 1HB ASP 2 4.551 -6.496 -1.010 13 HB3 ASP 2 2HB ASP 2 5.364 -6.183 -2.541 14 H ASP 3 H ASP 3 6.621 -2.977 -1.164 15 HA ASP 3 HA ASP 3 6.518 -1.294 -3.417 16 HB2 ASP 3 1HB ASP 3 8.633 -0.459 -2.719 17 HB3 ASP 3 2HB ASP 3 7.765 -0.880 -1.245 18 H ILE 4 H ILE 4 7.774 -4.478 -2.965 19 HA ILE 4 HA ILE 4 9.686 -4.582 -5.008 20 HB ILE 4 HB ILE 4 9.512 -6.370 -3.388 21 HG12 ILE 4 1HG1 ILE 4 8.729 -7.905 -5.779 22 HG13 ILE 4 2HG1 ILE 4 9.983 -6.701 -6.055 23 HG21 ILE 4 1HG2 ILE 4 6.757 -6.213 -3.951 24 HG22 ILE 4 2HG2 ILE 4 7.279 -7.836 -4.401 25 HG23 ILE 4 3HG2 ILE 4 7.567 -7.239 -2.767 26 HD11 ILE 4 3HD1 ILE 4 10.703 -8.041 -3.705 27 HD12 ILE 4 1HD1 ILE 4 10.180 -9.282 -4.843 28 HD13 ILE 4 2HD1 ILE 4 11.460 -8.155 -5.294 29 H TYR 5 H TYR 5 6.200 -4.740 -5.095 30 HA TYR 5 HA TYR 5 6.090 -5.659 -7.827 31 HD1 TYR 5 HD2 TYR 5 5.482 -7.578 -7.553 32 HD2 TYR 5 HD1 TYR 5 2.854 -6.068 -4.568 33 HE1 TYR 5 HE2 TYR 5 5.305 -9.830 -6.578 34 HE2 TYR 5 HE1 TYR 5 2.670 -8.315 -3.584 35 HH TYR 5 HH TYR 5 4.753 -10.793 -4.261 36 HB2 TYR 5 1HB TYR 5 3.939 -4.573 -5.999 37 HB3 TYR 5 2HB TYR 5 3.648 -5.245 -7.599 38 H LYS 6 H LYS 6 5.813 -2.602 -6.109 39 HA LYS 6 HA LYS 6 4.878 -1.016 -8.226 40 HB2 LYS 6 1HB LYS 6 6.453 -0.423 -5.737 41 HB3 LYS 6 2HB LYS 6 6.113 0.846 -6.906 42 HG2 LYS 6 1HG LYS 6 4.444 0.982 -5.242 43 HG3 LYS 6 2HG LYS 6 3.679 0.273 -6.666 44 HD2 LYS 6 1HD LYS 6 3.842 -1.936 -5.709 45 HD3 LYS 6 2HD LYS 6 4.753 -1.309 -4.332 46 HE2 LYS 6 1HE LYS 6 2.878 -0.173 -3.478 47 HE3 LYS 6 2HE LYS 6 1.988 -0.335 -4.991 48 HZ1 LYS 6 3HZ LYS 6 1.019 -1.997 -3.828 49 HZ2 LYS 6 1HZ LYS 6 2.366 -2.268 -2.841 50 HZ3 LYS 6 2HZ LYS 6 2.335 -2.881 -4.417 51 H ALA 7 H ALA 7 8.174 -1.820 -7.202 52 HA ALA 7 HA ALA 7 9.488 -0.199 -9.113 53 HB1 ALA 7 1HB ALA 7 10.249 -2.266 -7.178 54 HB2 ALA 7 2HB ALA 7 11.293 -2.165 -8.596 55 HB3 ALA 7 3HB ALA 7 11.039 -0.742 -7.585 56 H ALA 8 H ALA 8 8.148 -3.419 -9.221 57 HA ALA 8 HA ALA 8 9.479 -4.397 -11.491 58 HB1 ALA 8 1HB ALA 8 7.442 -5.284 -9.773 59 HB2 ALA 8 2HB ALA 8 6.781 -5.359 -11.407 60 HB3 ALA 8 3HB ALA 8 8.281 -6.204 -11.022 61 H VAL 9 H VAL 9 6.262 -2.869 -11.246 62 HA VAL 9 HA VAL 9 5.788 -2.768 -14.020 63 HB VAL 9 HB VAL 9 4.130 -0.940 -13.401 64 HG11 VAL 9 1HG1 VAL 9 3.079 -2.851 -11.677 65 HG12 VAL 9 2HG1 VAL 9 2.853 -2.764 -13.425 66 HG13 VAL 9 3HG1 VAL 9 4.146 -3.757 -12.750 67 HG21 VAL 9 3HG2 VAL 9 4.870 -1.709 -10.584 68 HG22 VAL 9 1HG2 VAL 9 5.414 -0.227 -11.370 69 HG23 VAL 9 2HG2 VAL 9 3.693 -0.500 -11.098 70 H GLU 10 H GLU 10 7.502 -0.641 -11.844 71 HA GLU 10 HA GLU 10 7.590 1.641 -13.506 72 HB2 GLU 10 1HB GLU 10 9.076 0.683 -11.116 73 HB3 GLU 10 2HB GLU 10 9.827 1.951 -12.075 74 HG2 GLU 10 1HG GLU 10 7.353 2.962 -11.847 75 HG3 GLU 10 2HG GLU 10 7.445 2.039 -10.348 76 H GLN 11 H GLN 11 9.184 -1.375 -13.667 77 HA GLN 11 HA GLN 11 11.419 -0.390 -15.233 78 HB2 GLN 11 1HB GLN 11 10.620 -3.251 -14.683 79 HB3 GLN 11 2HB GLN 11 12.174 -2.684 -15.281 80 HG2 GLN 11 1HG GLN 11 11.770 -1.304 -12.897 81 HG3 GLN 11 2HG GLN 11 11.232 -2.951 -12.577 82 HE21 GLN 11 2HE2 GLN 11 12.710 -4.656 -12.782 83 HE22 GLN 11 1HE2 GLN 11 14.416 -4.382 -12.750 84 H LEU 12 H LEU 12 8.235 -1.068 -15.836 85 HA LEU 12 HA LEU 12 8.384 -2.453 -18.303 86 HG LEU 12 HG LEU 12 6.662 -2.593 -15.800 87 HB2 LEU 12 1HB LEU 12 6.239 -0.590 -17.295 88 HB3 LEU 12 2HB LEU 12 6.074 -1.735 -18.625 89 HD11 LEU 12 1HD1 LEU 12 3.983 -2.328 -17.156 90 HD12 LEU 12 2HD1 LEU 12 4.561 -1.374 -15.790 91 HD13 LEU 12 3HD1 LEU 12 4.276 -3.104 -15.599 92 HD21 LEU 12 3HD2 LEU 12 5.597 -4.043 -18.221 93 HD22 LEU 12 1HD2 LEU 12 5.784 -4.739 -16.612 94 HD23 LEU 12 2HD2 LEU 12 7.205 -4.218 -17.518 95 H THR 13 H THR 13 7.693 -1.509 -20.404 96 HA THR 13 HA THR 13 9.200 0.941 -20.895 97 HB THR 13 HB THR 13 9.739 -0.857 -22.387 98 HG1 THR 13 HG1 THR 13 9.813 0.605 -23.902 99 HG21 THR 13 3HG2 THR 13 6.967 -1.450 -22.196 100 HG22 THR 13 1HG2 THR 13 8.237 -2.394 -22.973 101 HG23 THR 13 2HG2 THR 13 7.349 -1.183 -23.897 102 H GLU 14 H GLU 14 8.313 2.572 -22.379 103 HA GLU 14 HA GLU 14 5.975 3.711 -21.492 104 HB2 GLU 14 1HB GLU 14 7.041 4.001 -24.303 105 HB3 GLU 14 2HB GLU 14 6.063 5.160 -23.415 106 HG2 GLU 14 1HG GLU 14 7.895 6.128 -22.657 107 HG3 GLU 14 2HG GLU 14 8.364 4.626 -21.863 108 H GLU 15 H GLU 15 6.421 1.450 -24.165 109 HA GLU 15 HA GLU 15 3.782 1.583 -25.164 110 HB2 GLU 15 1HB GLU 15 5.959 -0.487 -25.374 111 HB3 GLU 15 2HB GLU 15 4.382 -0.728 -26.112 112 HG2 GLU 15 1HG GLU 15 4.768 1.507 -27.270 113 HG3 GLU 15 2HG GLU 15 6.447 1.344 -26.759 114 H GLN 16 H GLN 16 5.348 -0.671 -22.907 115 HA GLN 16 HA GLN 16 3.147 -2.339 -22.467 116 HB2 GLN 16 1HB GLN 16 5.557 -1.650 -20.808 117 HB3 GLN 16 2HB GLN 16 4.320 -2.743 -20.201 118 HG2 GLN 16 1HG GLN 16 5.446 -3.283 -22.890 119 HG3 GLN 16 2HG GLN 16 6.460 -3.607 -21.485 120 HE21 GLN 16 2HE2 GLN 16 6.268 -5.819 -22.372 121 HE22 GLN 16 1HE2 GLN 16 4.929 -6.783 -21.860 122 H LYS 17 H LYS 17 4.174 0.608 -20.790 123 HA LYS 17 HA LYS 17 2.173 0.561 -18.801 124 HB2 LYS 17 1HB LYS 17 4.190 2.449 -19.774 125 HB3 LYS 17 2HB LYS 17 2.740 3.233 -19.161 126 HG2 LYS 17 1HG LYS 17 3.448 2.940 -17.089 127 HG3 LYS 17 2HG LYS 17 3.474 1.192 -17.331 128 HD2 LYS 17 1HD LYS 17 5.736 1.361 -18.259 129 HD3 LYS 17 2HD LYS 17 5.708 3.107 -18.006 130 HE2 LYS 17 1HE LYS 17 5.073 1.472 -15.642 131 HE3 LYS 17 2HE LYS 17 6.724 1.324 -16.242 132 HZ1 LYS 17 3HZ LYS 17 6.127 3.158 -14.532 133 HZ2 LYS 17 1HZ LYS 17 5.554 3.996 -15.885 134 HZ3 LYS 17 2HZ LYS 17 7.174 3.518 -15.811 135 H ASN 18 H ASN 18 2.282 1.933 -22.046 136 HA ASN 18 HA ASN 18 -0.186 3.336 -21.846 137 HB2 ASN 18 1HB ASN 18 1.683 2.599 -24.052 138 HB3 ASN 18 2HB ASN 18 0.045 3.080 -24.483 139 HD21 ASN 18 2HD2 ASN 18 3.011 4.226 -24.325 140 HD22 ASN 18 1HD2 ASN 18 2.714 5.872 -23.890 141 H GLU 19 H GLU 19 0.682 0.056 -22.517 142 HA GLU 19 HA GLU 19 -1.658 -0.730 -23.903 143 HB2 GLU 19 1HB GLU 19 0.594 -2.099 -22.549 144 HB3 GLU 19 2HB GLU 19 -0.886 -3.030 -22.730 145 HG2 GLU 19 1HG GLU 19 -0.706 -2.136 -25.215 146 HG3 GLU 19 2HG GLU 19 1.002 -2.043 -24.789 147 H PHE 20 H PHE 20 -0.712 -1.284 -20.507 148 HA PHE 20 HA PHE 20 -3.246 -2.249 -19.713 149 HD1 PHE 20 HD2 PHE 20 -3.095 -0.346 -16.431 150 HD2 PHE 20 HD1 PHE 20 0.696 -0.661 -18.340 151 HE1 PHE 20 HE2 PHE 20 -2.295 1.600 -15.156 152 HE2 PHE 20 HE1 PHE 20 1.503 1.284 -17.067 153 HZ PHE 20 HZ PHE 20 0.006 2.418 -15.473 154 HB2 PHE 20 1HB PHE 20 -2.355 -2.420 -17.591 155 HB3 PHE 20 2HB PHE 20 -0.883 -2.397 -18.556 156 H LYS 21 H LYS 21 -1.826 0.955 -19.809 157 HA LYS 21 HA LYS 21 -3.670 2.319 -18.208 158 HB2 LYS 21 1HB LYS 21 -1.493 3.215 -19.106 159 HB3 LYS 21 2HB LYS 21 -2.294 3.430 -20.657 160 HG2 LYS 21 1HG LYS 21 -4.005 4.826 -19.323 161 HG3 LYS 21 2HG LYS 21 -2.751 4.879 -18.081 162 HD2 LYS 21 1HD LYS 21 -2.253 6.777 -19.276 163 HD3 LYS 21 2HD LYS 21 -1.228 5.596 -20.096 164 HE2 LYS 21 1HE LYS 21 -4.012 6.068 -21.069 165 HE3 LYS 21 2HE LYS 21 -2.742 7.221 -21.476 166 HZ1 LYS 21 3HZ LYS 21 -2.350 5.848 -23.175 167 HZ2 LYS 21 1HZ LYS 21 -3.195 4.559 -22.478 168 HZ3 LYS 21 2HZ LYS 21 -1.588 4.851 -22.041 169 H ALA 22 H ALA 22 -3.818 1.310 -21.563 170 HA ALA 22 HA ALA 22 -6.225 2.796 -22.119 171 HB1 ALA 22 1HB ALA 22 -4.286 1.898 -23.721 172 HB2 ALA 22 2HB ALA 22 -5.427 0.563 -23.886 173 HB3 ALA 22 3HB ALA 22 -5.929 2.205 -24.286 174 H ALA 23 H ALA 23 -5.406 -0.335 -20.903 175 HA ALA 23 HA ALA 23 -7.967 -1.529 -21.476 176 HB1 ALA 23 1HB ALA 23 -6.470 -2.888 -19.419 177 HB2 ALA 23 2HB ALA 23 -6.915 -3.436 -21.036 178 HB3 ALA 23 3HB ALA 23 -5.444 -2.493 -20.798 179 H PHE 24 H PHE 24 -6.396 0.021 -18.738 180 HA PHE 24 HA PHE 24 -8.196 -0.682 -16.724 181 HD1 PHE 24 HD2 PHE 24 -7.470 -0.290 -14.161 182 HD2 PHE 24 HD1 PHE 24 -7.636 3.569 -15.950 183 HE1 PHE 24 HE2 PHE 24 -8.410 0.630 -12.082 184 HE2 PHE 24 HE1 PHE 24 -8.576 4.495 -13.873 185 HZ PHE 24 HZ PHE 24 -8.965 3.025 -11.936 186 HB2 PHE 24 1HB PHE 24 -6.083 0.380 -16.199 187 HB3 PHE 24 2HB PHE 24 -6.560 1.838 -17.064 188 H ASP 25 H ASP 25 -8.442 1.653 -19.289 189 HA ASP 25 HA ASP 25 -10.551 3.208 -18.215 190 HB2 ASP 25 1HB ASP 25 -9.077 3.882 -20.130 191 HB3 ASP 25 2HB ASP 25 -9.943 2.725 -21.137 192 H ILE 26 H ILE 26 -10.496 0.383 -20.354 193 HA ILE 26 HA ILE 26 -13.281 0.270 -20.804 194 HB ILE 26 HB ILE 26 -11.198 -1.912 -20.924 195 HG12 ILE 26 1HG1 ILE 26 -12.149 -1.330 -23.475 196 HG13 ILE 26 2HG1 ILE 26 -12.011 0.245 -22.701 197 HG21 ILE 26 1HG2 ILE 26 -12.905 -3.103 -22.322 198 HG22 ILE 26 2HG2 ILE 26 -13.296 -2.988 -20.607 199 HG23 ILE 26 3HG2 ILE 26 -14.088 -1.920 -21.766 200 HD11 ILE 26 3HD1 ILE 26 -9.898 -1.724 -23.392 201 HD12 ILE 26 1HD1 ILE 26 -9.932 0.026 -23.612 202 HD13 ILE 26 2HD1 ILE 26 -9.651 -0.656 -22.010 203 H PHE 27 H PHE 27 -11.270 -0.792 -18.181 204 HA PHE 27 HA PHE 27 -13.210 -2.581 -17.047 205 HD1 PHE 27 HD1 PHE 27 -10.551 -2.999 -18.498 206 HD2 PHE 27 HD2 PHE 27 -11.089 -4.424 -14.523 207 HE1 PHE 27 HE1 PHE 27 -9.757 -5.223 -19.191 208 HE2 PHE 27 HE2 PHE 27 -10.295 -6.649 -15.210 209 HZ PHE 27 HZ PHE 27 -9.627 -7.051 -17.546 210 HB2 PHE 27 1HB PHE 27 -10.552 -1.502 -16.197 211 HB3 PHE 27 2HB PHE 27 -11.597 -2.247 -14.991 212 H VAL 28 H VAL 28 -12.170 0.745 -16.472 213 HA VAL 28 HA VAL 28 -14.028 1.081 -14.275 214 HB VAL 28 HB VAL 28 -13.188 3.328 -14.091 215 HG11 VAL 28 1HG1 VAL 28 -10.567 2.325 -14.596 216 HG12 VAL 28 2HG1 VAL 28 -11.400 2.519 -13.053 217 HG13 VAL 28 3HG1 VAL 28 -11.566 1.018 -13.963 218 HG21 VAL 28 3HG2 VAL 28 -13.084 4.020 -16.369 219 HG22 VAL 28 1HG2 VAL 28 -11.453 4.146 -15.710 220 HG23 VAL 28 2HG2 VAL 28 -11.881 2.788 -16.751 221 H LEU 29 H LEU 29 -14.525 0.823 -17.437 222 HA LEU 29 HA LEU 29 -15.927 3.079 -18.261 223 HG LEU 29 HG LEU 29 -14.483 1.859 -20.265 224 HB2 LEU 29 1HB LEU 29 -15.836 0.237 -19.026 225 HB3 LEU 29 2HB LEU 29 -17.300 1.100 -19.491 226 HD11 LEU 29 1HD1 LEU 29 -15.836 -0.210 -21.277 227 HD12 LEU 29 2HD1 LEU 29 -14.779 0.814 -22.249 228 HD13 LEU 29 3HD1 LEU 29 -16.522 1.084 -22.261 229 HD21 LEU 29 3HD2 LEU 29 -16.895 3.381 -20.190 230 HD22 LEU 29 1HD2 LEU 29 -16.439 3.109 -21.872 231 HD23 LEU 29 2HD2 LEU 29 -15.296 3.862 -20.760 232 H GLY 30 H GLY 30 -16.807 0.604 -16.011 233 HA2 GLY 30 1HA GLY 30 -19.639 1.225 -16.099 234 HA3 GLY 30 2HA GLY 30 -18.852 0.083 -15.020 235 H ALA 31 H ALA 31 -16.857 2.072 -14.156 236 HA ALA 31 HA ALA 31 -18.359 3.179 -11.988 237 HB1 ALA 31 1HB ALA 31 -16.318 2.747 -11.156 238 HB2 ALA 31 2HB ALA 31 -15.527 2.928 -12.723 239 HB3 ALA 31 3HB ALA 31 -15.927 4.355 -11.767 240 H GLU 32 H GLU 32 -18.077 5.517 -11.357 241 HA GLU 32 HA GLU 32 -18.542 7.201 -13.724 242 HB2 GLU 32 1HB GLU 32 -20.303 6.859 -11.823 243 HB3 GLU 32 2HB GLU 32 -19.306 8.006 -10.939 244 HG2 GLU 32 1HG GLU 32 -19.562 9.576 -12.874 245 HG3 GLU 32 2HG GLU 32 -20.746 8.452 -13.538 246 H ASP 33 H ASP 33 -16.575 6.778 -10.906 247 HA ASP 33 HA ASP 33 -15.339 9.407 -11.225 248 HB2 ASP 33 1HB ASP 33 -15.093 7.251 -9.131 249 HB3 ASP 33 2HB ASP 33 -14.004 8.635 -9.185 250 H GLY 34 H GLY 34 -14.666 5.995 -11.668 251 HA2 GLY 34 1HA GLY 34 -13.102 5.532 -13.540 252 HA3 GLY 34 2HA GLY 34 -12.047 6.738 -12.820 253 H CYS 35 H CYS 35 -13.863 4.006 -11.436 254 HA CYS 35 HA CYS 35 -11.331 2.751 -10.679 255 HG CYS 35 HG CYS 35 -14.036 5.015 -7.994 256 HB2 CYS 35 1HB CYS 35 -12.312 2.322 -8.376 257 HB3 CYS 35 2HB CYS 35 -11.810 3.976 -8.703 258 H ILE 36 H ILE 36 -11.881 0.561 -9.527 259 HA ILE 36 HA ILE 36 -14.139 -0.697 -10.940 260 HB ILE 36 HB ILE 36 -11.394 -1.892 -10.531 261 HG12 ILE 36 1HG1 ILE 36 -12.426 -1.736 -13.251 262 HG13 ILE 36 2HG1 ILE 36 -12.275 -0.147 -12.508 263 HG21 ILE 36 1HG2 ILE 36 -12.367 -3.715 -12.008 264 HG22 ILE 36 2HG2 ILE 36 -12.932 -3.662 -10.339 265 HG23 ILE 36 3HG2 ILE 36 -13.947 -3.028 -11.634 266 HD11 ILE 36 3HD1 ILE 36 -9.902 -1.068 -11.838 267 HD12 ILE 36 1HD1 ILE 36 -10.178 -2.113 -13.232 268 HD13 ILE 36 2HD1 ILE 36 -10.207 -0.360 -13.424 269 H SER 37 H SER 37 -15.567 -1.331 -9.471 270 HA SER 37 HA SER 37 -14.713 -2.022 -6.779 271 HG SER 37 HG SER 37 -17.899 -1.427 -5.598 272 HB2 SER 37 1HB SER 37 -16.779 -0.588 -7.406 273 HB3 SER 37 2HB SER 37 -17.553 -2.131 -7.768 274 H THR 38 H THR 38 -15.069 -4.008 -5.787 275 HA THR 38 HA THR 38 -14.564 -6.301 -7.225 276 HB THR 38 HB THR 38 -14.209 -6.423 -4.899 277 HG1 THR 38 HG1 THR 38 -15.321 -8.295 -4.384 278 HG21 THR 38 3HG2 THR 38 -16.774 -5.077 -4.761 279 HG22 THR 38 1HG2 THR 38 -15.468 -5.131 -3.578 280 HG23 THR 38 2HG2 THR 38 -16.675 -6.416 -3.618 281 H LYS 39 H LYS 39 -17.617 -4.738 -6.614 282 HA LYS 39 HA LYS 39 -19.309 -6.913 -7.271 283 HB2 LYS 39 1HB LYS 39 -19.791 -4.559 -6.152 284 HB3 LYS 39 2HB LYS 39 -20.154 -4.102 -7.812 285 HG2 LYS 39 1HG LYS 39 -22.200 -4.729 -6.826 286 HG3 LYS 39 2HG LYS 39 -21.734 -6.060 -7.888 287 HD2 LYS 39 1HD LYS 39 -22.415 -7.143 -5.944 288 HD3 LYS 39 2HD LYS 39 -20.660 -7.074 -5.771 289 HE2 LYS 39 1HE LYS 39 -21.124 -4.855 -4.515 290 HE3 LYS 39 2HE LYS 39 -22.768 -5.474 -4.369 291 HZ1 LYS 39 3HZ LYS 39 -20.532 -6.120 -2.818 292 HZ2 LYS 39 1HZ LYS 39 -20.994 -7.516 -3.656 293 HZ3 LYS 39 2HZ LYS 39 -22.111 -6.710 -2.674 294 H GLU 40 H GLU 40 -18.047 -4.195 -9.177 295 HA GLU 40 HA GLU 40 -19.301 -5.108 -11.597 296 HB2 GLU 40 1HB GLU 40 -17.171 -3.011 -11.143 297 HB3 GLU 40 2HB GLU 40 -17.995 -3.296 -12.670 298 HG2 GLU 40 1HG GLU 40 -19.273 -1.597 -11.916 299 HG3 GLU 40 2HG GLU 40 -20.132 -2.926 -11.140 300 H LEU 41 H LEU 41 -16.197 -5.480 -10.051 301 HA LEU 41 HA LEU 41 -14.711 -6.358 -12.276 302 HG LEU 41 HG LEU 41 -13.075 -8.627 -10.241 303 HB2 LEU 41 1HB LEU 41 -13.605 -5.675 -10.261 304 HB3 LEU 41 2HB LEU 41 -14.418 -6.934 -9.335 305 HD11 LEU 41 1HD1 LEU 41 -12.752 -6.732 -12.465 306 HD12 LEU 41 2HD1 LEU 41 -12.848 -8.492 -12.473 307 HD13 LEU 41 3HD1 LEU 41 -11.326 -7.695 -12.076 308 HD21 LEU 41 3HD2 LEU 41 -11.450 -6.142 -9.757 309 HD22 LEU 41 1HD2 LEU 41 -10.727 -7.735 -9.977 310 HD23 LEU 41 2HD2 LEU 41 -11.820 -7.442 -8.624 311 H GLY 42 H GLY 42 -16.598 -8.134 -9.849 312 HA2 GLY 42 1HA GLY 42 -15.993 -10.732 -10.598 313 HA3 GLY 42 2HA GLY 42 -17.532 -10.231 -9.914 314 H LYS 43 H LYS 43 -17.944 -8.393 -12.258 315 HA LYS 43 HA LYS 43 -19.418 -10.221 -13.862 316 HB2 LYS 43 1HB LYS 43 -19.150 -7.354 -13.595 317 HB3 LYS 43 2HB LYS 43 -19.175 -7.819 -15.291 318 HG2 LYS 43 1HG LYS 43 -21.235 -9.261 -14.525 319 HG3 LYS 43 2HG LYS 43 -21.290 -8.075 -13.220 320 HD2 LYS 43 1HD LYS 43 -22.286 -6.625 -14.579 321 HD3 LYS 43 2HD LYS 43 -20.892 -6.678 -15.662 322 HE2 LYS 43 1HE LYS 43 -21.846 -8.615 -16.801 323 HE3 LYS 43 2HE LYS 43 -23.227 -8.590 -15.705 324 HZ1 LYS 43 3HZ LYS 43 -23.751 -6.353 -16.547 325 HZ2 LYS 43 1HZ LYS 43 -23.816 -7.533 -17.758 326 HZ3 LYS 43 2HZ LYS 43 -22.490 -6.487 -17.667 327 H VAL 44 H VAL 44 -16.593 -8.168 -14.583 328 HA VAL 44 HA VAL 44 -16.105 -8.966 -17.173 329 HB VAL 44 HB VAL 44 -14.841 -7.278 -15.555 330 HG11 VAL 44 1HG1 VAL 44 -12.760 -8.007 -14.766 331 HG12 VAL 44 2HG1 VAL 44 -13.874 -9.298 -14.315 332 HG13 VAL 44 3HG1 VAL 44 -12.819 -9.492 -15.715 333 HG21 VAL 44 3HG2 VAL 44 -13.563 -6.764 -17.359 334 HG22 VAL 44 1HG2 VAL 44 -13.061 -8.435 -17.617 335 HG23 VAL 44 2HG2 VAL 44 -14.656 -7.901 -18.148 336 H MET 45 H MET 45 -15.583 -10.724 -14.226 337 HA MET 45 HA MET 45 -13.663 -12.568 -14.918 338 HB2 MET 45 1HB MET 45 -16.190 -13.200 -13.387 339 HB3 MET 45 2HB MET 45 -14.658 -14.057 -13.291 340 HG2 MET 45 1HG MET 45 -15.229 -11.253 -12.370 341 HG3 MET 45 2HG MET 45 -14.900 -12.662 -11.365 342 HE1 MET 45 3HE MET 45 -11.160 -13.350 -12.799 343 HE2 MET 45 1HE MET 45 -12.521 -14.120 -11.984 344 HE3 MET 45 2HE MET 45 -12.622 -13.745 -13.704 345 H ARG 46 H ARG 46 -16.905 -12.274 -16.107 346 HA ARG 46 HA ARG 46 -17.287 -14.885 -17.079 347 HE ARG 46 HE ARG 46 -21.228 -10.973 -19.463 348 HB2 ARG 46 1HB ARG 46 -19.013 -13.914 -18.507 349 HB3 ARG 46 2HB ARG 46 -19.108 -13.251 -16.881 350 HG2 ARG 46 1HG ARG 46 -17.588 -11.370 -17.931 351 HG3 ARG 46 2HG ARG 46 -18.335 -11.936 -19.426 352 HD2 ARG 46 1HD ARG 46 -20.380 -11.710 -17.484 353 HD3 ARG 46 2HD ARG 46 -19.418 -10.234 -17.410 354 HH11 ARG 46 1HH1 ARG 46 -18.174 -9.392 -18.919 355 HH12 ARG 46 2HH1 ARG 46 -18.296 -8.387 -20.326 356 HH21 ARG 46 1HH2 ARG 46 -21.400 -9.656 -21.317 357 HH22 ARG 46 2HH2 ARG 46 -20.131 -8.538 -21.688 358 H MET 47 H MET 47 -15.914 -11.991 -18.603 359 HA MET 47 HA MET 47 -15.447 -13.213 -21.122 360 HB2 MET 47 1HB MET 47 -14.224 -11.243 -21.682 361 HB3 MET 47 2HB MET 47 -15.584 -10.739 -20.689 362 HG2 MET 47 1HG MET 47 -14.264 -9.921 -19.093 363 HG3 MET 47 2HG MET 47 -13.184 -11.312 -19.145 364 HE1 MET 47 3HE MET 47 -11.844 -11.821 -21.109 365 HE2 MET 47 1HE MET 47 -11.158 -10.681 -22.266 366 HE3 MET 47 2HE MET 47 -10.446 -10.844 -20.661 367 H LEU 48 H LEU 48 -13.805 -13.322 -18.113 368 HA LEU 48 HA LEU 48 -11.219 -13.993 -19.167 369 HG LEU 48 HG LEU 48 -9.667 -13.079 -17.406 370 HB2 LEU 48 1HB LEU 48 -12.466 -13.748 -16.504 371 HB3 LEU 48 2HB LEU 48 -11.116 -14.875 -16.625 372 HD11 LEU 48 1HD1 LEU 48 -10.999 -11.607 -18.604 373 HD12 LEU 48 2HD1 LEU 48 -10.645 -10.707 -17.129 374 HD13 LEU 48 3HD1 LEU 48 -12.208 -11.500 -17.324 375 HD21 LEU 48 3HD2 LEU 48 -9.514 -11.833 -15.344 376 HD22 LEU 48 1HD2 LEU 48 -9.914 -13.514 -14.988 377 HD23 LEU 48 2HD2 LEU 48 -11.168 -12.276 -14.916 378 H GLY 49 H GLY 49 -14.113 -15.711 -18.354 379 HA2 GLY 49 1HA GLY 49 -14.520 -17.891 -19.247 380 HA3 GLY 49 2HA GLY 49 -12.794 -18.209 -19.166 381 H GLN 50 H GLN 50 -13.981 -16.660 -16.399 382 HA GLN 50 HA GLN 50 -14.412 -19.211 -15.011 383 HB2 GLN 50 1HB GLN 50 -12.548 -16.993 -14.162 384 HB3 GLN 50 2HB GLN 50 -13.088 -18.269 -13.079 385 HG2 GLN 50 1HG GLN 50 -10.967 -18.917 -13.855 386 HG3 GLN 50 2HG GLN 50 -12.132 -19.915 -14.724 387 HE21 GLN 50 2HE2 GLN 50 -10.788 -16.653 -15.141 388 HE22 GLN 50 1HE2 GLN 50 -10.334 -16.868 -16.794 389 H ASN 51 H ASN 51 -15.453 -18.942 -12.881 390 HA ASN 51 HA ASN 51 -16.912 -16.435 -12.532 391 HB2 ASN 51 1HB ASN 51 -19.060 -17.643 -12.278 392 HB3 ASN 51 2HB ASN 51 -18.405 -17.775 -13.908 393 HD21 ASN 51 2HD2 ASN 51 -19.935 -19.449 -11.611 394 HD22 ASN 51 1HD2 ASN 51 -19.384 -21.047 -11.966 395 HA PRO 52 HA PRO 52 -15.366 -18.488 -8.612 396 HB2 PRO 52 1HB PRO 52 -13.889 -16.374 -7.764 397 HB3 PRO 52 2HB PRO 52 -13.244 -17.632 -8.823 398 HG2 PRO 52 1HG PRO 52 -14.270 -14.909 -9.524 399 HG3 PRO 52 2HG PRO 52 -12.833 -15.753 -10.130 400 HD2 PRO 52 1HD PRO 52 -15.145 -15.621 -11.533 401 HD3 PRO 52 2HD PRO 52 -14.050 -17.016 -11.624 402 H THR 53 H THR 53 -15.287 -17.165 -6.364 403 HA THR 53 HA THR 53 -17.978 -16.152 -6.045 404 HB THR 53 HB THR 53 -16.893 -17.747 -4.416 405 HG1 THR 53 HG1 THR 53 -18.680 -16.743 -3.638 406 HG21 THR 53 3HG2 THR 53 -14.835 -15.908 -4.433 407 HG22 THR 53 1HG2 THR 53 -15.043 -17.216 -3.270 408 HG23 THR 53 2HG2 THR 53 -15.642 -15.600 -2.895 409 HA PRO 54 HA PRO 54 -16.968 -11.867 -6.160 410 HB2 PRO 54 1HB PRO 54 -19.058 -10.898 -4.724 411 HB3 PRO 54 2HB PRO 54 -19.224 -11.496 -6.379 412 HG2 PRO 54 1HG PRO 54 -19.835 -12.878 -3.795 413 HG3 PRO 54 2HG PRO 54 -20.773 -12.853 -5.300 414 HD2 PRO 54 1HD PRO 54 -19.191 -14.938 -4.604 415 HD3 PRO 54 2HD PRO 54 -19.458 -14.464 -6.294 416 H GLU 55 H GLU 55 -17.722 -13.373 -3.052 417 HA GLU 55 HA GLU 55 -16.844 -11.326 -1.364 418 HB2 GLU 55 1HB GLU 55 -17.044 -14.306 -1.048 419 HB3 GLU 55 2HB GLU 55 -16.365 -13.312 0.233 420 HG2 GLU 55 1HG GLU 55 -18.765 -12.075 -0.526 421 HG3 GLU 55 2HG GLU 55 -19.104 -13.802 -0.424 422 H GLU 56 H GLU 56 -15.077 -13.785 -3.116 423 HA GLU 56 HA GLU 56 -12.611 -13.495 -1.747 424 HB2 GLU 56 1HB GLU 56 -13.110 -15.469 -3.098 425 HB3 GLU 56 2HB GLU 56 -13.179 -14.477 -4.549 426 HG2 GLU 56 1HG GLU 56 -11.082 -15.534 -4.578 427 HG3 GLU 56 2HG GLU 56 -10.779 -13.863 -4.107 428 H LEU 57 H LEU 57 -13.966 -11.993 -4.646 429 HA LEU 57 HA LEU 57 -11.768 -10.640 -5.607 430 HG LEU 57 HG LEU 57 -12.735 -10.673 -7.771 431 HB2 LEU 57 1HB LEU 57 -14.691 -10.033 -5.581 432 HB3 LEU 57 2HB LEU 57 -13.561 -8.834 -6.206 433 HD11 LEU 57 1HD1 LEU 57 -13.536 -12.694 -7.166 434 HD12 LEU 57 2HD1 LEU 57 -14.897 -12.210 -8.178 435 HD13 LEU 57 3HD1 LEU 57 -14.989 -12.021 -6.427 436 HD21 LEU 57 3HD2 LEU 57 -14.143 -8.748 -8.437 437 HD22 LEU 57 1HD2 LEU 57 -15.576 -9.722 -8.112 438 HD23 LEU 57 2HD2 LEU 57 -14.457 -10.200 -9.388 439 H GLN 58 H GLN 58 -14.032 -9.588 -3.081 440 HA GLN 58 HA GLN 58 -12.778 -7.096 -2.604 441 HB2 GLN 58 1HB GLN 58 -15.023 -7.339 -1.878 442 HB3 GLN 58 2HB GLN 58 -14.651 -8.797 -0.968 443 HG2 GLN 58 1HG GLN 58 -15.001 -6.938 0.529 444 HG3 GLN 58 2HG GLN 58 -13.323 -7.473 0.602 445 HE21 GLN 58 2HE2 GLN 58 -11.900 -5.902 0.646 446 HE22 GLN 58 1HE2 GLN 58 -12.088 -4.330 -0.047 447 H GLU 59 H GLU 59 -12.309 -10.321 -1.300 448 HA GLU 59 HA GLU 59 -10.705 -9.653 0.904 449 HB2 GLU 59 1HB GLU 59 -10.790 -12.141 -0.805 450 HB3 GLU 59 2HB GLU 59 -9.835 -12.008 0.665 451 HG2 GLU 59 1HG GLU 59 -11.718 -11.896 2.026 452 HG3 GLU 59 2HG GLU 59 -12.777 -11.465 0.685 453 H MET 60 H MET 60 -9.749 -10.682 -2.373 454 HA MET 60 HA MET 60 -6.976 -10.265 -1.937 455 HB2 MET 60 1HB MET 60 -8.061 -11.731 -3.715 456 HB3 MET 60 2HB MET 60 -8.358 -10.252 -4.617 457 HG2 MET 60 1HG MET 60 -6.389 -11.123 -5.514 458 HG3 MET 60 2HG MET 60 -5.865 -9.823 -4.445 459 HE1 MET 60 3HE MET 60 -5.046 -12.631 -5.875 460 HE2 MET 60 1HE MET 60 -3.475 -12.534 -5.079 461 HE3 MET 60 2HE MET 60 -4.536 -13.908 -4.770 462 H ILE 61 H ILE 61 -9.591 -8.228 -3.032 463 HA ILE 61 HA ILE 61 -7.948 -6.147 -4.089 464 HB ILE 61 HB ILE 61 -10.846 -6.346 -3.358 465 HG12 ILE 61 1HG1 ILE 61 -9.402 -5.654 -5.925 466 HG13 ILE 61 2HG1 ILE 61 -10.049 -7.240 -5.518 467 HG21 ILE 61 1HG2 ILE 61 -10.350 -4.153 -2.614 468 HG22 ILE 61 2HG2 ILE 61 -9.327 -3.835 -4.015 469 HG23 ILE 61 3HG2 ILE 61 -11.073 -3.985 -4.214 470 HD11 ILE 61 3HD1 ILE 61 -11.596 -4.709 -5.997 471 HD12 ILE 61 1HD1 ILE 61 -11.567 -6.160 -6.999 472 HD13 ILE 61 2HD1 ILE 61 -12.307 -6.207 -5.398 473 H ASP 62 H ASP 62 -9.206 -6.937 -0.935 474 HA ASP 62 HA ASP 62 -9.007 -4.479 0.350 475 HB2 ASP 62 1HB ASP 62 -9.957 -6.645 1.274 476 HB3 ASP 62 2HB ASP 62 -8.298 -7.122 1.625 477 H GLU 63 H GLU 63 -6.533 -7.005 -0.032 478 HA GLU 63 HA GLU 63 -4.503 -5.523 1.308 479 HB2 GLU 63 1HB GLU 63 -4.802 -8.135 0.294 480 HB3 GLU 63 2HB GLU 63 -3.422 -7.443 -0.546 481 HG2 GLU 63 1HG GLU 63 -3.781 -7.620 2.437 482 HG3 GLU 63 2HG GLU 63 -2.720 -8.623 1.448 483 H VAL 64 H VAL 64 -5.795 -5.456 -1.861 484 HA VAL 64 HA VAL 64 -3.455 -4.339 -3.125 485 HB VAL 64 HB VAL 64 -6.306 -4.551 -4.101 486 HG11 VAL 64 1HG1 VAL 64 -3.800 -3.753 -5.578 487 HG12 VAL 64 2HG1 VAL 64 -5.370 -4.059 -6.323 488 HG13 VAL 64 3HG1 VAL 64 -5.172 -2.712 -5.202 489 HG21 VAL 64 3HG2 VAL 64 -4.378 -6.134 -5.524 490 HG22 VAL 64 1HG2 VAL 64 -4.316 -6.504 -3.801 491 HG23 VAL 64 2HG2 VAL 64 -5.838 -6.647 -4.679 492 H ASP 65 H ASP 65 -6.665 -3.118 -2.190 493 HA ASP 65 HA ASP 65 -6.204 -0.444 -2.940 494 HB2 ASP 65 1HB ASP 65 -8.438 -1.542 -2.424 495 HB3 ASP 65 2HB ASP 65 -8.044 -1.335 -0.720 496 H GLU 66 H GLU 66 -4.567 0.728 -2.175 497 HA GLU 66 HA GLU 66 -3.284 0.319 0.290 498 HB2 GLU 66 1HB GLU 66 -2.089 2.363 -0.161 499 HB3 GLU 66 2HB GLU 66 -2.269 1.470 -1.664 500 HG2 GLU 66 1HG GLU 66 -4.367 2.961 -1.997 501 HG3 GLU 66 2HG GLU 66 -3.597 3.996 -0.796 502 H ASP 67 H ASP 67 -5.942 2.403 -0.659 503 HA ASP 67 HA ASP 67 -6.039 3.608 2.000 504 HB2 ASP 67 1HB ASP 67 -7.979 4.908 0.939 505 HB3 ASP 67 2HB ASP 67 -6.361 5.229 0.321 506 H GLY 68 H GLY 68 -7.246 0.919 0.441 507 HA2 GLY 68 1HA GLY 68 -8.959 -0.549 0.880 508 HA3 GLY 68 2HA GLY 68 -8.794 0.006 2.540 509 H SER 69 H SER 69 -9.830 1.876 -0.279 510 HA SER 69 HA SER 69 -12.123 2.846 1.150 511 HG SER 69 HG SER 69 -11.673 3.571 -2.745 512 HB2 SER 69 1HB SER 69 -12.588 4.108 -0.932 513 HB3 SER 69 2HB SER 69 -10.926 4.323 -0.382 514 H GLY 70 H GLY 70 -11.492 0.125 -0.754 515 HA2 GLY 70 1HA GLY 70 -13.130 -1.630 -0.876 516 HA3 GLY 70 2HA GLY 70 -14.382 -0.400 -0.960 517 H THR 71 H THR 71 -11.682 0.326 -2.871 518 HA THR 71 HA THR 71 -12.619 -1.084 -5.227 519 HB THR 71 HB THR 71 -12.458 1.425 -6.306 520 HG1 THR 71 HG1 THR 71 -13.254 2.877 -4.945 521 HG21 THR 71 3HG2 THR 71 -14.621 -0.441 -5.572 522 HG22 THR 71 1HG2 THR 71 -14.232 0.288 -7.130 523 HG23 THR 71 2HG2 THR 71 -15.126 1.212 -5.923 524 H VAL 72 H VAL 72 -11.178 -0.853 -7.055 525 HA VAL 72 HA VAL 72 -8.442 -0.209 -6.198 526 HB VAL 72 HB VAL 72 -9.538 -2.108 -8.246 527 HG11 VAL 72 1HG1 VAL 72 -7.138 -2.473 -8.942 528 HG12 VAL 72 2HG1 VAL 72 -7.886 -0.980 -9.512 529 HG13 VAL 72 3HG1 VAL 72 -6.766 -0.943 -8.149 530 HG21 VAL 72 3HG2 VAL 72 -8.273 -2.277 -5.656 531 HG22 VAL 72 1HG2 VAL 72 -9.099 -3.526 -6.589 532 HG23 VAL 72 2HG2 VAL 72 -7.385 -3.210 -6.861 533 H ASP 73 H ASP 73 -7.337 1.402 -7.116 534 HA ASP 73 HA ASP 73 -8.621 2.885 -9.289 535 HB2 ASP 73 1HB ASP 73 -7.529 3.777 -6.959 536 HB3 ASP 73 2HB ASP 73 -6.174 3.987 -8.064 537 H PHE 74 H PHE 74 -6.530 4.194 -10.424 538 HA PHE 74 HA PHE 74 -5.560 2.336 -12.288 539 HD1 PHE 74 HD1 PHE 74 -4.022 2.262 -13.806 540 HD2 PHE 74 HD2 PHE 74 -5.782 6.115 -14.217 541 HE1 PHE 74 HE1 PHE 74 -4.032 1.993 -16.252 542 HE2 PHE 74 HE2 PHE 74 -5.796 5.852 -16.664 543 HZ PHE 74 HZ PHE 74 -4.921 3.788 -17.684 544 HB2 PHE 74 1HB PHE 74 -5.649 5.096 -12.096 545 HB3 PHE 74 2HB PHE 74 -3.925 4.745 -12.064 546 H ASP 75 H ASP 75 -3.860 4.026 -9.655 547 HA ASP 75 HA ASP 75 -1.373 2.776 -10.033 548 HB2 ASP 75 1HB ASP 75 -2.645 4.097 -7.641 549 HB3 ASP 75 2HB ASP 75 -1.018 3.426 -7.582 550 H GLU 76 H GLU 76 -3.979 2.034 -7.719 551 HA GLU 76 HA GLU 76 -2.773 -0.211 -6.564 552 HB2 GLU 76 1HB GLU 76 -5.727 0.317 -6.936 553 HB3 GLU 76 2HB GLU 76 -5.017 -0.812 -5.791 554 HG2 GLU 76 1HG GLU 76 -4.226 0.868 -4.418 555 HG3 GLU 76 2HG GLU 76 -4.270 2.077 -5.700 556 H TRP 77 H TRP 77 -4.738 0.133 -9.458 557 HA TRP 77 HA TRP 77 -5.124 -2.638 -9.925 558 HD1 TRP 77 HD1 TRP 77 -7.899 -2.882 -11.985 559 HE1 TRP 77 HE1 TRP 77 -7.686 -4.303 -14.120 560 HE3 TRP 77 HE3 TRP 77 -3.256 -1.375 -13.502 561 HZ2 TRP 77 HZ2 TRP 77 -5.798 -4.730 -16.175 562 HZ3 TRP 77 HZ3 TRP 77 -2.318 -2.338 -15.563 563 HH2 TRP 77 HH2 TRP 77 -3.564 -3.981 -16.870 564 HB2 TRP 77 1HB TRP 77 -6.541 -0.922 -10.963 565 HB3 TRP 77 2HB TRP 77 -5.160 -0.329 -11.882 566 H LEU 78 H LEU 78 -2.546 -0.409 -10.650 567 HA LEU 78 HA LEU 78 -1.245 -1.915 -12.651 568 HG LEU 78 HG LEU 78 -0.858 -0.026 -13.706 569 HB2 LEU 78 1HB LEU 78 -0.652 0.400 -10.974 570 HB3 LEU 78 2HB LEU 78 0.770 -0.565 -11.363 571 HD11 LEU 78 1HD1 LEU 78 -1.426 2.084 -13.242 572 HD12 LEU 78 2HD1 LEU 78 0.282 2.450 -13.477 573 HD13 LEU 78 3HD1 LEU 78 -0.344 2.169 -11.853 574 HD21 LEU 78 3HD2 LEU 78 1.980 0.071 -12.849 575 HD22 LEU 78 1HD2 LEU 78 1.513 1.039 -14.248 576 HD23 LEU 78 2HD2 LEU 78 1.243 -0.704 -14.252 577 H VAL 79 H VAL 79 -1.052 -1.940 -9.134 578 HA VAL 79 HA VAL 79 1.207 -3.582 -8.858 579 HB VAL 79 HB VAL 79 -1.177 -3.426 -7.008 580 HG11 VAL 79 1HG1 VAL 79 0.279 -5.334 -6.556 581 HG12 VAL 79 2HG1 VAL 79 1.676 -4.258 -6.485 582 HG13 VAL 79 3HG1 VAL 79 0.398 -4.127 -5.277 583 HG21 VAL 79 3HG2 VAL 79 0.037 -1.690 -5.831 584 HG22 VAL 79 1HG2 VAL 79 1.370 -1.810 -6.980 585 HG23 VAL 79 2HG2 VAL 79 -0.203 -1.217 -7.512 586 H MET 80 H MET 80 -2.103 -4.309 -9.638 587 HA MET 80 HA MET 80 -2.189 -7.021 -8.958 588 HB2 MET 80 1HB MET 80 -3.917 -5.216 -10.134 589 HB3 MET 80 2HB MET 80 -3.614 -6.370 -11.426 590 HG2 MET 80 1HG MET 80 -4.696 -8.049 -10.372 591 HG3 MET 80 2HG MET 80 -4.222 -7.496 -8.767 592 HE1 MET 80 3HE MET 80 -7.395 -5.107 -11.089 593 HE2 MET 80 1HE MET 80 -5.651 -4.860 -11.184 594 HE3 MET 80 2HE MET 80 -6.375 -6.311 -11.877 595 H MET 81 H MET 81 -1.555 -5.583 -12.165 596 HA MET 81 HA MET 81 -0.806 -7.997 -13.397 597 HB2 MET 81 1HB MET 81 0.291 -6.471 -15.096 598 HB3 MET 81 2HB MET 81 -1.421 -6.194 -14.807 599 HG2 MET 81 1HG MET 81 -0.987 -4.256 -13.525 600 HG3 MET 81 2HG MET 81 0.736 -4.616 -13.440 601 HE1 MET 81 3HE MET 81 -0.666 -4.186 -17.731 602 HE2 MET 81 1HE MET 81 -0.127 -5.636 -16.884 603 HE3 MET 81 2HE MET 81 -1.682 -4.907 -16.482 604 H ALA 82 H ALA 82 1.057 -5.544 -11.684 605 HA ALA 82 HA ALA 82 3.634 -6.340 -12.336 606 HB1 ALA 82 1HB ALA 82 2.467 -4.533 -10.560 607 HB2 ALA 82 2HB ALA 82 3.476 -5.580 -9.561 608 HB3 ALA 82 3HB ALA 82 4.184 -4.714 -10.925 609 H ARG 83 H ARG 83 1.397 -7.666 -9.961 610 HA ARG 83 HA ARG 83 3.271 -9.395 -8.706 611 HE ARG 83 HE ARG 83 2.045 -10.817 -6.004 612 HB2 ARG 83 1HB ARG 83 0.260 -9.348 -8.806 613 HB3 ARG 83 2HB ARG 83 1.148 -10.586 -7.929 614 HG2 ARG 83 1HG ARG 83 2.319 -8.450 -6.872 615 HG3 ARG 83 2HG ARG 83 0.775 -7.716 -7.311 616 HD2 ARG 83 1HD ARG 83 0.732 -8.575 -5.025 617 HD3 ARG 83 2HD ARG 83 -0.410 -9.438 -6.055 618 HH11 ARG 83 1HH1 ARG 83 -0.692 -10.088 -3.979 619 HH12 ARG 83 2HH1 ARG 83 -0.540 -11.531 -3.032 620 HH21 ARG 83 1HH2 ARG 83 2.256 -12.719 -4.764 621 HH22 ARG 83 2HH2 ARG 83 1.137 -13.026 -3.478 622 H CYS 84 H CYS 84 1.410 -9.579 -11.613 623 HA CYS 84 HA CYS 84 1.412 -12.403 -11.910 624 HG CYS 84 HG CYS 84 -1.383 -9.927 -13.883 625 HB2 CYS 84 1HB CYS 84 1.218 -10.265 -14.042 626 HB3 CYS 84 2HB CYS 84 0.787 -11.959 -14.237 627 H MET 85 H MET 85 3.848 -10.061 -12.193 628 HA MET 85 HA MET 85 5.433 -11.340 -14.198 629 HB2 MET 85 1HB MET 85 6.050 -9.233 -12.130 630 HB3 MET 85 2HB MET 85 7.252 -9.831 -13.267 631 HG2 MET 85 1HG MET 85 4.639 -8.728 -14.219 632 HG3 MET 85 2HG MET 85 5.991 -7.670 -13.825 633 HE1 MET 85 3HE MET 85 5.228 -10.815 -16.672 634 HE2 MET 85 1HE MET 85 4.138 -9.580 -16.042 635 HE3 MET 85 2HE MET 85 4.934 -9.342 -17.598 636 H LYS 86 H LYS 86 5.175 -11.545 -10.714 637 HA LYS 86 HA LYS 86 7.586 -13.020 -10.316 638 HB2 LYS 86 1HB LYS 86 5.821 -11.727 -8.667 639 HB3 LYS 86 2HB LYS 86 5.441 -13.414 -8.346 640 HG2 LYS 86 1HG LYS 86 7.062 -13.080 -6.789 641 HG3 LYS 86 2HG LYS 86 8.062 -13.609 -8.144 642 HD2 LYS 86 1HD LYS 86 7.511 -10.717 -8.021 643 HD3 LYS 86 2HD LYS 86 8.511 -11.358 -6.715 644 HE2 LYS 86 1HE LYS 86 10.236 -11.193 -8.116 645 HE3 LYS 86 2HE LYS 86 9.536 -12.552 -8.994 646 HZ1 LYS 86 3HZ LYS 86 9.727 -9.795 -9.755 647 HZ2 LYS 86 1HZ LYS 86 8.159 -10.406 -9.930 648 HZ3 LYS 86 2HZ LYS 86 9.453 -11.162 -10.713 649 H ASP 87 H ASP 87 4.689 -13.833 -11.747 650 HA ASP 87 HA ASP 87 3.636 -15.791 -12.269 651 HB2 ASP 87 1HB ASP 87 6.495 -16.767 -12.102 652 HB3 ASP 87 2HB ASP 87 5.171 -17.664 -12.840 653 H ASP 88 H ASP 88 3.494 -15.193 -9.548 654 HA ASP 88 HA ASP 88 3.972 -17.718 -8.153 655 HB2 ASP 88 1HB ASP 88 3.589 -16.530 -6.121 656 HB3 ASP 88 2HB ASP 88 4.597 -15.493 -7.127 657 H SER 89 H SER 89 1.365 -15.632 -9.240 658 HA SER 89 HA SER 89 -0.504 -17.827 -9.020 659 HG SER 89 HG SER 89 -2.038 -17.705 -6.594 660 HB2 SER 89 1HB SER 89 -0.403 -16.406 -6.789 661 HB3 SER 89 2HB SER 89 -1.418 -15.298 -7.712 Start of MODEL 30 1 HA MET 1 HA MET 1 2.317 -1.656 -0.382 2 H1 MET 1 H MET 1 1.294 -3.500 -1.285 3 HB2 MET 1 1HB MET 1 2.790 -1.896 1.985 4 HB3 MET 1 2HB MET 1 1.350 -2.817 1.572 5 HG2 MET 1 1HG MET 1 2.971 -4.812 1.355 6 HG3 MET 1 2HG MET 1 4.080 -3.801 2.279 7 HE1 MET 1 3HE MET 1 3.292 -5.212 5.595 8 HE2 MET 1 1HE MET 1 4.186 -5.719 4.162 9 HE3 MET 1 2HE MET 1 4.273 -4.045 4.707 10 H ASP 2 H ASP 2 4.051 -3.352 -2.065 11 HA ASP 2 HA ASP 2 6.665 -2.814 -0.825 12 HB2 ASP 2 1HB ASP 2 5.909 -4.681 -3.081 13 HB3 ASP 2 2HB ASP 2 7.562 -4.384 -2.551 14 H ASP 3 H ASP 3 7.284 -0.813 -1.374 15 HA ASP 3 HA ASP 3 6.556 0.533 -3.736 16 HB2 ASP 3 1HB ASP 3 7.314 1.674 -1.675 17 HB3 ASP 3 2HB ASP 3 8.940 1.053 -1.947 18 H ILE 4 H ILE 4 9.075 -1.730 -3.040 19 HA ILE 4 HA ILE 4 10.853 -1.064 -5.135 20 HB ILE 4 HB ILE 4 11.603 -2.463 -3.313 21 HG12 ILE 4 1HG1 ILE 4 11.713 -4.495 -5.444 22 HG13 ILE 4 2HG1 ILE 4 12.179 -2.875 -5.952 23 HG21 ILE 4 1HG2 ILE 4 10.308 -4.046 -2.457 24 HG22 ILE 4 2HG2 ILE 4 9.153 -3.822 -3.770 25 HG23 ILE 4 3HG2 ILE 4 10.468 -4.984 -3.942 26 HD11 ILE 4 3HD1 ILE 4 14.106 -4.169 -5.256 27 HD12 ILE 4 1HD1 ILE 4 13.847 -2.800 -4.175 28 HD13 ILE 4 2HD1 ILE 4 13.380 -4.424 -3.670 29 H TYR 5 H TYR 5 7.859 -2.791 -5.046 30 HA TYR 5 HA TYR 5 8.245 -4.155 -7.550 31 HD1 TYR 5 HD2 TYR 5 8.641 -5.201 -5.214 32 HD2 TYR 5 HD1 TYR 5 5.020 -6.634 -6.928 33 HE1 TYR 5 HE2 TYR 5 9.275 -7.501 -4.615 34 HE2 TYR 5 HE1 TYR 5 5.643 -8.938 -6.332 35 HH TYR 5 HH TYR 5 7.681 -9.790 -4.168 36 HB2 TYR 5 1HB TYR 5 6.003 -3.865 -5.598 37 HB3 TYR 5 2HB TYR 5 5.629 -4.392 -7.235 38 H LYS 6 H LYS 6 6.713 -1.191 -6.453 39 HA LYS 6 HA LYS 6 5.285 -0.562 -8.783 40 HB2 LYS 6 1HB LYS 6 6.435 1.104 -6.560 41 HB3 LYS 6 2HB LYS 6 5.618 1.855 -7.925 42 HG2 LYS 6 1HG LYS 6 4.033 1.631 -6.174 43 HG3 LYS 6 2HG LYS 6 3.626 0.436 -7.408 44 HD2 LYS 6 1HD LYS 6 4.353 -1.341 -6.107 45 HD3 LYS 6 2HD LYS 6 5.391 -0.318 -5.112 46 HE2 LYS 6 1HE LYS 6 2.466 0.193 -5.050 47 HE3 LYS 6 2HE LYS 6 3.063 -1.254 -4.239 48 HZ1 LYS 6 3HZ LYS 6 2.903 0.847 -2.865 49 HZ2 LYS 6 1HZ LYS 6 4.234 1.417 -3.740 50 HZ3 LYS 6 2HZ LYS 6 4.377 0.018 -2.801 51 H ALA 7 H ALA 7 8.613 0.155 -7.821 52 HA ALA 7 HA ALA 7 9.289 1.839 -9.955 53 HB1 ALA 7 1HB ALA 7 10.826 1.859 -8.230 54 HB2 ALA 7 2HB ALA 7 10.869 0.099 -8.108 55 HB3 ALA 7 3HB ALA 7 11.663 0.909 -9.458 56 H ALA 8 H ALA 8 9.818 -1.669 -9.594 57 HA ALA 8 HA ALA 8 10.976 -2.154 -12.069 58 HB1 ALA 8 1HB ALA 8 11.121 -4.101 -10.994 59 HB2 ALA 8 2HB ALA 8 9.724 -3.738 -9.980 60 HB3 ALA 8 3HB ALA 8 9.492 -4.427 -11.587 61 H VAL 9 H VAL 9 7.634 -1.625 -11.226 62 HA VAL 9 HA VAL 9 6.483 -2.647 -13.612 63 HB VAL 9 HB VAL 9 5.398 -0.577 -11.697 64 HG11 VAL 9 1HG1 VAL 9 4.368 -1.700 -14.188 65 HG12 VAL 9 2HG1 VAL 9 3.254 -1.853 -12.827 66 HG13 VAL 9 3HG1 VAL 9 3.863 -0.265 -13.295 67 HG21 VAL 9 3HG2 VAL 9 4.092 -3.097 -11.523 68 HG22 VAL 9 1HG2 VAL 9 5.831 -3.361 -11.395 69 HG23 VAL 9 2HG2 VAL 9 5.023 -2.252 -10.287 70 H GLU 10 H GLU 10 7.474 0.602 -12.591 71 HA GLU 10 HA GLU 10 6.584 1.938 -14.916 72 HB2 GLU 10 1HB GLU 10 8.268 2.579 -12.584 73 HB3 GLU 10 2HB GLU 10 8.629 3.504 -14.035 74 HG2 GLU 10 1HG GLU 10 5.877 3.589 -13.882 75 HG3 GLU 10 2HG GLU 10 6.395 3.714 -12.202 76 H GLN 11 H GLN 11 9.282 -0.074 -14.304 77 HA GLN 11 HA GLN 11 10.865 0.982 -16.496 78 HB2 GLN 11 1HB GLN 11 11.406 -1.542 -14.942 79 HB3 GLN 11 2HB GLN 11 12.552 -0.554 -15.839 80 HG2 GLN 11 1HG GLN 11 11.545 1.211 -13.999 81 HG3 GLN 11 2HG GLN 11 11.604 -0.305 -13.100 82 HE21 GLN 11 2HE2 GLN 11 13.181 2.042 -12.652 83 HE22 GLN 11 1HE2 GLN 11 14.834 1.593 -12.872 84 H LEU 12 H LEU 12 8.176 -0.804 -16.400 85 HA LEU 12 HA LEU 12 8.790 -3.027 -18.051 86 HG LEU 12 HG LEU 12 7.133 -2.895 -15.576 87 HB2 LEU 12 1HB LEU 12 6.212 -1.583 -17.478 88 HB3 LEU 12 2HB LEU 12 6.308 -3.034 -18.474 89 HD11 LEU 12 1HD1 LEU 12 5.074 -3.952 -15.028 90 HD12 LEU 12 2HD1 LEU 12 4.634 -4.117 -16.727 91 HD13 LEU 12 3HD1 LEU 12 4.690 -2.519 -15.982 92 HD21 LEU 12 3HD2 LEU 12 7.000 -5.076 -17.624 93 HD22 LEU 12 1HD2 LEU 12 6.823 -5.439 -15.907 94 HD23 LEU 12 2HD2 LEU 12 8.299 -4.676 -16.499 95 H THR 13 H THR 13 7.649 -3.280 -20.240 96 HA THR 13 HA THR 13 8.819 -1.504 -22.072 97 HB THR 13 HB THR 13 6.488 -2.985 -23.085 98 HG1 THR 13 HG1 THR 13 8.691 -4.457 -22.045 99 HG21 THR 13 3HG2 THR 13 9.431 -3.030 -23.763 100 HG22 THR 13 1HG2 THR 13 8.209 -2.025 -24.540 101 HG23 THR 13 2HG2 THR 13 8.144 -3.780 -24.706 102 H GLU 14 H GLU 14 7.922 0.046 -23.456 103 HA GLU 14 HA GLU 14 6.126 1.846 -22.350 104 HB2 GLU 14 1HB GLU 14 6.944 1.405 -25.221 105 HB3 GLU 14 2HB GLU 14 5.934 2.750 -24.711 106 HG2 GLU 14 1HG GLU 14 8.620 2.244 -23.483 107 HG3 GLU 14 2HG GLU 14 8.434 3.166 -24.974 108 H GLU 15 H GLU 15 5.543 -0.754 -24.680 109 HA GLU 15 HA GLU 15 2.825 -0.160 -25.156 110 HB2 GLU 15 1HB GLU 15 4.402 -2.719 -25.426 111 HB3 GLU 15 2HB GLU 15 2.720 -2.572 -25.917 112 HG2 GLU 15 1HG GLU 15 3.366 -0.770 -27.472 113 HG3 GLU 15 2HG GLU 15 5.052 -1.025 -27.024 114 H GLN 16 H GLN 16 4.457 -2.115 -22.732 115 HA GLN 16 HA GLN 16 2.219 -3.446 -21.692 116 HB2 GLN 16 1HB GLN 16 4.820 -2.620 -20.403 117 HB3 GLN 16 2HB GLN 16 3.618 -3.617 -19.594 118 HG2 GLN 16 1HG GLN 16 3.894 -5.011 -21.863 119 HG3 GLN 16 2HG GLN 16 5.500 -4.293 -21.758 120 HE21 GLN 16 2HE2 GLN 16 3.121 -6.138 -19.915 121 HE22 GLN 16 1HE2 GLN 16 4.270 -7.016 -18.970 122 H LYS 17 H LYS 17 3.825 -0.488 -20.515 123 HA LYS 17 HA LYS 17 1.990 0.097 -18.487 124 HB2 LYS 17 1HB LYS 17 3.752 1.938 -20.112 125 HB3 LYS 17 2HB LYS 17 2.867 2.437 -18.676 126 HG2 LYS 17 1HG LYS 17 4.897 0.218 -18.691 127 HG3 LYS 17 2HG LYS 17 5.278 1.898 -18.307 128 HD2 LYS 17 1HD LYS 17 3.024 0.618 -16.854 129 HD3 LYS 17 2HD LYS 17 4.665 0.127 -16.427 130 HE2 LYS 17 1HE LYS 17 4.424 1.887 -15.000 131 HE3 LYS 17 2HE LYS 17 5.047 2.747 -16.407 132 HZ1 LYS 17 3HZ LYS 17 2.762 3.348 -15.092 133 HZ2 LYS 17 1HZ LYS 17 2.187 2.461 -16.413 134 HZ3 LYS 17 2HZ LYS 17 3.136 3.838 -16.667 135 H ASN 18 H ASN 18 2.028 0.994 -21.903 136 HA ASN 18 HA ASN 18 -0.181 2.762 -21.790 137 HB2 ASN 18 1HB ASN 18 1.129 3.030 -23.699 138 HB3 ASN 18 2HB ASN 18 1.233 1.297 -23.993 139 HD21 ASN 18 2HD2 ASN 18 0.019 0.525 -25.557 140 HD22 ASN 18 1HD2 ASN 18 -1.393 1.273 -26.212 141 H GLU 19 H GLU 19 0.117 -0.701 -22.397 142 HA GLU 19 HA GLU 19 -2.562 -1.150 -23.167 143 HB2 GLU 19 1HB GLU 19 -0.315 -2.862 -22.205 144 HB3 GLU 19 2HB GLU 19 -1.936 -3.543 -22.215 145 HG2 GLU 19 1HG GLU 19 -0.708 -2.256 -24.632 146 HG3 GLU 19 2HG GLU 19 -0.513 -3.967 -24.256 147 H PHE 20 H PHE 20 -0.942 -1.140 -20.037 148 HA PHE 20 HA PHE 20 -3.107 -2.162 -18.533 149 HD1 PHE 20 HD2 PHE 20 -1.688 -3.660 -18.777 150 HD2 PHE 20 HD1 PHE 20 1.159 -1.206 -16.780 151 HE1 PHE 20 HE2 PHE 20 0.032 -5.385 -19.119 152 HE2 PHE 20 HE1 PHE 20 2.885 -2.927 -17.119 153 HZ PHE 20 HZ PHE 20 2.322 -5.020 -18.288 154 HB2 PHE 20 1HB PHE 20 -0.942 -0.303 -17.539 155 HB3 PHE 20 2HB PHE 20 -1.892 -1.439 -16.586 156 H LYS 21 H LYS 21 -1.999 1.161 -19.136 157 HA LYS 21 HA LYS 21 -4.116 2.382 -17.679 158 HB2 LYS 21 1HB LYS 21 -1.793 3.331 -18.437 159 HB3 LYS 21 2HB LYS 21 -2.666 3.783 -19.895 160 HG2 LYS 21 1HG LYS 21 -3.985 5.316 -18.794 161 HG3 LYS 21 2HG LYS 21 -3.763 4.538 -17.225 162 HD2 LYS 21 1HD LYS 21 -1.322 5.233 -17.401 163 HD3 LYS 21 2HD LYS 21 -1.820 6.258 -18.749 164 HE2 LYS 21 1HE LYS 21 -3.225 6.409 -16.108 165 HE3 LYS 21 2HE LYS 21 -1.708 7.268 -16.367 166 HZ1 LYS 21 3HZ LYS 21 -3.215 7.883 -18.557 167 HZ2 LYS 21 1HZ LYS 21 -2.952 8.882 -17.217 168 HZ3 LYS 21 2HZ LYS 21 -4.334 7.910 -17.289 169 H ALA 22 H ALA 22 -3.702 1.357 -20.995 170 HA ALA 22 HA ALA 22 -5.962 2.764 -22.031 171 HB1 ALA 22 1HB ALA 22 -4.048 2.005 -23.417 172 HB2 ALA 22 2HB ALA 22 -4.594 0.343 -23.193 173 HB3 ALA 22 3HB ALA 22 -5.617 1.500 -24.044 174 H ALA 23 H ALA 23 -5.401 -0.515 -20.836 175 HA ALA 23 HA ALA 23 -8.080 -1.385 -21.430 176 HB1 ALA 23 1HB ALA 23 -7.401 -3.471 -20.816 177 HB2 ALA 23 2HB ALA 23 -5.829 -2.756 -21.178 178 HB3 ALA 23 3HB ALA 23 -6.379 -2.876 -19.507 179 H PHE 24 H PHE 24 -6.329 -0.211 -18.614 180 HA PHE 24 HA PHE 24 -8.188 -0.860 -16.631 181 HD1 PHE 24 HD1 PHE 24 -7.706 3.135 -15.850 182 HD2 PHE 24 HD2 PHE 24 -6.863 -0.514 -13.828 183 HE1 PHE 24 HE1 PHE 24 -8.543 4.109 -13.751 184 HE2 PHE 24 HE2 PHE 24 -7.699 0.454 -11.726 185 HZ PHE 24 HZ PHE 24 -8.541 2.768 -11.685 186 HB2 PHE 24 1HB PHE 24 -5.991 -0.105 -16.011 187 HB3 PHE 24 2HB PHE 24 -6.235 1.438 -16.824 188 H ASP 25 H ASP 25 -8.066 1.821 -18.891 189 HA ASP 25 HA ASP 25 -10.086 3.394 -17.678 190 HB2 ASP 25 1HB ASP 25 -8.408 4.178 -19.398 191 HB3 ASP 25 2HB ASP 25 -9.375 3.346 -20.613 192 H ILE 26 H ILE 26 -10.166 0.558 -19.621 193 HA ILE 26 HA ILE 26 -12.804 0.879 -20.659 194 HB ILE 26 HB ILE 26 -11.408 -1.756 -20.240 195 HG12 ILE 26 1HG1 ILE 26 -9.800 -0.308 -21.323 196 HG13 ILE 26 2HG1 ILE 26 -10.451 -1.426 -22.517 197 HG21 ILE 26 1HG2 ILE 26 -13.454 -0.772 -22.222 198 HG22 ILE 26 2HG2 ILE 26 -12.653 -2.340 -22.314 199 HG23 ILE 26 3HG2 ILE 26 -13.692 -1.961 -20.941 200 HD11 ILE 26 3HD1 ILE 26 -10.993 0.284 -23.801 201 HD12 ILE 26 1HD1 ILE 26 -12.069 0.892 -22.543 202 HD13 ILE 26 2HD1 ILE 26 -10.382 1.404 -22.584 203 H PHE 27 H PHE 27 -11.437 -0.905 -17.910 204 HA PHE 27 HA PHE 27 -13.811 -2.097 -17.028 205 HD1 PHE 27 HD1 PHE 27 -10.950 -2.774 -18.019 206 HD2 PHE 27 HD2 PHE 27 -12.354 -4.259 -14.286 207 HE1 PHE 27 HE1 PHE 27 -10.254 -5.044 -18.664 208 HE2 PHE 27 HE2 PHE 27 -11.660 -6.531 -14.925 209 HZ PHE 27 HZ PHE 27 -10.607 -6.926 -17.116 210 HB2 PHE 27 1HB PHE 27 -11.237 -1.362 -15.665 211 HB3 PHE 27 2HB PHE 27 -12.577 -2.031 -14.740 212 H VAL 28 H VAL 28 -12.315 0.993 -16.133 213 HA VAL 28 HA VAL 28 -14.552 1.682 -14.420 214 HB VAL 28 HB VAL 28 -12.390 2.384 -13.652 215 HG11 VAL 28 1HG1 VAL 28 -12.064 3.222 -16.445 216 HG12 VAL 28 2HG1 VAL 28 -11.417 4.352 -15.254 217 HG13 VAL 28 3HG1 VAL 28 -10.863 2.677 -15.274 218 HG21 VAL 28 3HG2 VAL 28 -13.680 4.897 -14.678 219 HG22 VAL 28 1HG2 VAL 28 -14.418 3.912 -13.414 220 HG23 VAL 28 2HG2 VAL 28 -12.831 4.638 -13.153 221 H LEU 29 H LEU 29 -13.921 1.825 -17.688 222 HA LEU 29 HA LEU 29 -14.773 4.295 -18.557 223 HG LEU 29 HG LEU 29 -16.767 1.447 -19.564 224 HB2 LEU 29 1HB LEU 29 -14.730 3.359 -20.580 225 HB3 LEU 29 2HB LEU 29 -14.161 1.917 -19.743 226 HD11 LEU 29 1HD1 LEU 29 -17.007 3.736 -20.867 227 HD12 LEU 29 2HD1 LEU 29 -18.102 2.383 -21.153 228 HD13 LEU 29 3HD1 LEU 29 -16.764 2.684 -22.262 229 HD21 LEU 29 3HD2 LEU 29 -15.827 -0.276 -20.632 230 HD22 LEU 29 1HD2 LEU 29 -14.671 0.758 -21.473 231 HD23 LEU 29 2HD2 LEU 29 -16.301 0.554 -22.115 232 H GLY 30 H GLY 30 -16.612 1.782 -17.051 233 HA2 GLY 30 1HA GLY 30 -19.164 2.931 -17.868 234 HA3 GLY 30 2HA GLY 30 -18.935 1.484 -16.897 235 H ALA 31 H ALA 31 -17.022 2.958 -15.130 236 HA ALA 31 HA ALA 31 -18.957 3.867 -13.232 237 HB1 ALA 31 1HB ALA 31 -16.388 2.878 -13.084 238 HB2 ALA 31 2HB ALA 31 -16.206 4.569 -12.614 239 HB3 ALA 31 3HB ALA 31 -17.333 3.528 -11.744 240 H GLU 32 H GLU 32 -19.151 5.953 -12.328 241 HA GLU 32 HA GLU 32 -18.349 8.102 -14.168 242 HB2 GLU 32 1HB GLU 32 -20.205 9.398 -13.117 243 HB3 GLU 32 2HB GLU 32 -20.736 7.952 -13.965 244 HG2 GLU 32 1HG GLU 32 -21.038 6.775 -11.907 245 HG3 GLU 32 2HG GLU 32 -20.306 8.091 -10.992 246 H ASP 33 H ASP 33 -17.222 6.749 -11.493 247 HA ASP 33 HA ASP 33 -16.568 9.287 -10.157 248 HB2 ASP 33 1HB ASP 33 -17.659 7.225 -8.939 249 HB3 ASP 33 2HB ASP 33 -16.005 6.620 -8.922 250 H GLY 34 H GLY 34 -15.226 6.413 -11.647 251 HA2 GLY 34 1HA GLY 34 -13.133 6.562 -12.827 252 HA3 GLY 34 2HA GLY 34 -12.594 7.736 -11.635 253 H CYS 35 H CYS 35 -14.144 4.597 -11.096 254 HA CYS 35 HA CYS 35 -11.646 3.432 -10.194 255 HG CYS 35 HG CYS 35 -10.583 4.732 -8.529 256 HB2 CYS 35 1HB CYS 35 -13.848 4.250 -8.350 257 HB3 CYS 35 2HB CYS 35 -12.985 2.755 -8.011 258 H ILE 36 H ILE 36 -12.177 1.145 -9.232 259 HA ILE 36 HA ILE 36 -14.352 -0.065 -10.805 260 HB ILE 36 HB ILE 36 -11.576 -1.208 -10.473 261 HG12 ILE 36 1HG1 ILE 36 -12.592 -0.760 -13.178 262 HG13 ILE 36 2HG1 ILE 36 -12.426 0.728 -12.254 263 HG21 ILE 36 1HG2 ILE 36 -14.115 -2.297 -11.613 264 HG22 ILE 36 2HG2 ILE 36 -12.559 -2.823 -12.252 265 HG23 ILE 36 3HG2 ILE 36 -12.942 -3.072 -10.549 266 HD11 ILE 36 3HD1 ILE 36 -10.400 -0.944 -13.456 267 HD12 ILE 36 1HD1 ILE 36 -10.299 0.717 -12.874 268 HD13 ILE 36 2HD1 ILE 36 -10.074 -0.626 -11.753 269 H SER 37 H SER 37 -15.768 -0.817 -9.373 270 HA SER 37 HA SER 37 -14.832 -1.865 -6.811 271 HG SER 37 HG SER 37 -18.342 -0.203 -7.771 272 HB2 SER 37 1HB SER 37 -17.402 -1.987 -6.415 273 HB3 SER 37 2HB SER 37 -16.620 -0.406 -6.442 274 H THR 38 H THR 38 -15.446 -3.920 -6.033 275 HA THR 38 HA THR 38 -15.135 -6.048 -7.755 276 HB THR 38 HB THR 38 -14.826 -6.491 -5.457 277 HG1 THR 38 HG1 THR 38 -16.247 -8.039 -6.867 278 HG21 THR 38 3HG2 THR 38 -15.996 -5.291 -3.981 279 HG22 THR 38 1HG2 THR 38 -17.317 -6.435 -4.214 280 HG23 THR 38 2HG2 THR 38 -17.259 -4.949 -5.162 281 H LYS 39 H LYS 39 -18.046 -4.314 -6.923 282 HA LYS 39 HA LYS 39 -19.951 -6.182 -7.802 283 HB2 LYS 39 1HB LYS 39 -20.289 -3.990 -6.487 284 HB3 LYS 39 2HB LYS 39 -20.302 -3.205 -8.061 285 HG2 LYS 39 1HG LYS 39 -22.159 -4.775 -8.706 286 HG3 LYS 39 2HG LYS 39 -22.226 -5.260 -7.010 287 HD2 LYS 39 1HD LYS 39 -22.557 -2.436 -8.021 288 HD3 LYS 39 2HD LYS 39 -23.881 -3.514 -7.572 289 HE2 LYS 39 1HE LYS 39 -22.634 -3.701 -5.310 290 HE3 LYS 39 2HE LYS 39 -21.805 -2.235 -5.831 291 HZ1 LYS 39 3HZ LYS 39 -24.138 -1.328 -6.221 292 HZ2 LYS 39 1HZ LYS 39 -23.623 -1.481 -4.617 293 HZ3 LYS 39 2HZ LYS 39 -24.681 -2.623 -5.277 294 H GLU 40 H GLU 40 -18.387 -3.486 -9.516 295 HA GLU 40 HA GLU 40 -19.660 -4.142 -12.008 296 HB2 GLU 40 1HB GLU 40 -17.288 -2.326 -11.566 297 HB3 GLU 40 2HB GLU 40 -18.379 -2.334 -12.944 298 HG2 GLU 40 1HG GLU 40 -20.215 -1.779 -11.249 299 HG3 GLU 40 2HG GLU 40 -18.892 -1.385 -10.153 300 H LEU 41 H LEU 41 -16.509 -4.677 -10.532 301 HA LEU 41 HA LEU 41 -15.178 -5.661 -12.806 302 HG LEU 41 HG LEU 41 -13.465 -7.933 -10.904 303 HB2 LEU 41 1HB LEU 41 -13.984 -4.981 -10.815 304 HB3 LEU 41 2HB LEU 41 -14.755 -6.263 -9.883 305 HD11 LEU 41 1HD1 LEU 41 -13.206 -5.956 -13.078 306 HD12 LEU 41 2HD1 LEU 41 -13.385 -7.709 -13.147 307 HD13 LEU 41 3HD1 LEU 41 -11.810 -6.998 -12.798 308 HD21 LEU 41 3HD2 LEU 41 -11.806 -5.467 -10.434 309 HD22 LEU 41 1HD2 LEU 41 -11.105 -7.059 -10.729 310 HD23 LEU 41 2HD2 LEU 41 -12.129 -6.794 -9.317 311 H GLY 42 H GLY 42 -17.082 -7.288 -10.300 312 HA2 GLY 42 1HA GLY 42 -16.606 -9.933 -11.003 313 HA3 GLY 42 2HA GLY 42 -18.095 -9.347 -10.277 314 H LYS 43 H LYS 43 -18.484 -7.536 -12.656 315 HA LYS 43 HA LYS 43 -20.104 -9.325 -14.166 316 HB2 LYS 43 1HB LYS 43 -19.318 -6.448 -14.657 317 HB3 LYS 43 2HB LYS 43 -20.503 -7.325 -15.616 318 HG2 LYS 43 1HG LYS 43 -20.700 -6.717 -12.673 319 HG3 LYS 43 2HG LYS 43 -21.593 -5.920 -13.971 320 HD2 LYS 43 1HD LYS 43 -21.777 -8.837 -13.217 321 HD3 LYS 43 2HD LYS 43 -22.977 -7.593 -12.857 322 HE2 LYS 43 1HE LYS 43 -22.841 -7.245 -15.484 323 HE3 LYS 43 2HE LYS 43 -22.326 -8.930 -15.429 324 HZ1 LYS 43 3HZ LYS 43 -24.519 -8.760 -13.769 325 HZ2 LYS 43 1HZ LYS 43 -24.459 -9.464 -15.307 326 HZ3 LYS 43 2HZ LYS 43 -24.930 -7.849 -15.134 327 H VAL 44 H VAL 44 -17.206 -7.428 -15.012 328 HA VAL 44 HA VAL 44 -16.849 -8.295 -17.605 329 HB VAL 44 HB VAL 44 -15.460 -6.627 -16.081 330 HG11 VAL 44 1HG1 VAL 44 -14.558 -8.674 -14.814 331 HG12 VAL 44 2HG1 VAL 44 -13.523 -8.911 -16.223 332 HG13 VAL 44 3HG1 VAL 44 -13.415 -7.418 -15.290 333 HG21 VAL 44 3HG2 VAL 44 -15.236 -6.541 -18.420 334 HG22 VAL 44 1HG2 VAL 44 -13.601 -6.812 -17.816 335 HG23 VAL 44 2HG2 VAL 44 -14.524 -8.152 -18.496 336 H MET 45 H MET 45 -16.294 -10.010 -14.636 337 HA MET 45 HA MET 45 -14.489 -11.958 -15.386 338 HB2 MET 45 1HB MET 45 -16.934 -12.458 -13.685 339 HB3 MET 45 2HB MET 45 -15.408 -13.330 -13.636 340 HG2 MET 45 1HG MET 45 -15.914 -10.491 -12.788 341 HG3 MET 45 2HG MET 45 -15.513 -11.864 -11.759 342 HE1 MET 45 3HE MET 45 -13.526 -13.412 -12.797 343 HE2 MET 45 1HE MET 45 -13.003 -12.816 -14.373 344 HE3 MET 45 2HE MET 45 -11.917 -12.715 -12.988 345 H ARG 46 H ARG 46 -17.840 -11.603 -16.276 346 HA ARG 46 HA ARG 46 -18.327 -14.220 -17.192 347 HE ARG 46 HE ARG 46 -21.618 -10.583 -19.971 348 HB2 ARG 46 1HB ARG 46 -20.237 -13.313 -18.321 349 HB3 ARG 46 2HB ARG 46 -20.066 -12.465 -16.790 350 HG2 ARG 46 1HG ARG 46 -18.697 -10.777 -18.302 351 HG3 ARG 46 2HG ARG 46 -19.719 -11.475 -19.560 352 HD2 ARG 46 1HD ARG 46 -21.365 -10.941 -17.320 353 HD3 ARG 46 2HD ARG 46 -20.375 -9.509 -17.602 354 HH11 ARG 46 1HH1 ARG 46 -21.946 -8.410 -17.270 355 HH12 ARG 46 2HH1 ARG 46 -23.129 -7.412 -18.049 356 HH21 ARG 46 1HH2 ARG 46 -23.174 -9.276 -21.007 357 HH22 ARG 46 2HH2 ARG 46 -23.827 -7.906 -20.174 358 H MET 47 H MET 47 -16.861 -11.411 -18.716 359 HA MET 47 HA MET 47 -16.817 -12.436 -21.355 360 HB2 MET 47 1HB MET 47 -15.182 -10.317 -19.965 361 HB3 MET 47 2HB MET 47 -14.972 -10.712 -21.666 362 HG2 MET 47 1HG MET 47 -17.561 -9.802 -20.436 363 HG3 MET 47 2HG MET 47 -16.415 -8.746 -21.257 364 HE1 MET 47 3HE MET 47 -16.914 -8.462 -24.328 365 HE2 MET 47 1HE MET 47 -15.543 -9.071 -23.401 366 HE3 MET 47 2HE MET 47 -16.202 -10.025 -24.730 367 H LEU 48 H LEU 48 -14.513 -12.561 -18.678 368 HA LEU 48 HA LEU 48 -12.427 -13.806 -20.146 369 HG LEU 48 HG LEU 48 -13.199 -11.776 -17.437 370 HB2 LEU 48 1HB LEU 48 -12.800 -14.134 -17.194 371 HB3 LEU 48 2HB LEU 48 -11.303 -14.019 -18.117 372 HD11 LEU 48 1HD1 LEU 48 -11.541 -10.976 -16.014 373 HD12 LEU 48 2HD1 LEU 48 -10.292 -11.984 -16.743 374 HD13 LEU 48 3HD1 LEU 48 -11.531 -12.716 -15.724 375 HD21 LEU 48 3HD2 LEU 48 -10.726 -11.770 -19.163 376 HD22 LEU 48 1HD2 LEU 48 -11.549 -10.326 -18.573 377 HD23 LEU 48 2HD2 LEU 48 -12.378 -11.425 -19.677 378 H GLY 49 H GLY 49 -15.302 -14.974 -18.613 379 HA2 GLY 49 1HA GLY 49 -16.195 -17.111 -19.258 380 HA3 GLY 49 2HA GLY 49 -14.548 -17.706 -19.410 381 H GLN 50 H GLN 50 -15.254 -15.765 -16.664 382 HA GLN 50 HA GLN 50 -15.605 -18.157 -14.993 383 HB2 GLN 50 1HB GLN 50 -13.548 -15.989 -14.719 384 HB3 GLN 50 2HB GLN 50 -14.113 -16.861 -13.300 385 HG2 GLN 50 1HG GLN 50 -13.496 -18.984 -14.541 386 HG3 GLN 50 2HG GLN 50 -12.654 -17.942 -15.687 387 HE21 GLN 50 2HE2 GLN 50 -11.166 -16.309 -14.576 388 HE22 GLN 50 1HE2 GLN 50 -10.166 -16.939 -13.316 389 H ASN 51 H ASN 51 -16.900 -17.917 -13.206 390 HA ASN 51 HA ASN 51 -17.974 -15.251 -12.632 391 HB2 ASN 51 1HB ASN 51 -20.277 -16.277 -12.481 392 HB3 ASN 51 2HB ASN 51 -19.623 -16.147 -14.112 393 HD21 ASN 51 2HD2 ASN 51 -21.176 -17.772 -14.670 394 HD22 ASN 51 1HD2 ASN 51 -20.829 -19.437 -14.368 395 HA PRO 52 HA PRO 52 -16.855 -17.746 -8.846 396 HB2 PRO 52 1HB PRO 52 -15.292 -15.826 -7.731 397 HB3 PRO 52 2HB PRO 52 -14.673 -17.026 -8.872 398 HG2 PRO 52 1HG PRO 52 -15.479 -14.185 -9.363 399 HG3 PRO 52 2HG PRO 52 -14.069 -15.069 -9.974 400 HD2 PRO 52 1HD PRO 52 -16.287 -14.649 -11.470 401 HD3 PRO 52 2HD PRO 52 -15.283 -16.104 -11.639 402 H THR 53 H THR 53 -17.274 -17.156 -6.574 403 HA THR 53 HA THR 53 -19.758 -15.963 -6.212 404 HB THR 53 HB THR 53 -18.760 -15.713 -3.727 405 HG1 THR 53 HG1 THR 53 -17.290 -17.733 -3.725 406 HG21 THR 53 3HG2 THR 53 -19.277 -18.464 -4.815 407 HG22 THR 53 1HG2 THR 53 -20.565 -17.265 -4.710 408 HG23 THR 53 2HG2 THR 53 -19.728 -17.790 -3.249 409 HA PRO 54 HA PRO 54 -19.132 -11.628 -5.938 410 HB2 PRO 54 1HB PRO 54 -20.798 -10.931 -3.911 411 HB3 PRO 54 2HB PRO 54 -21.379 -11.429 -5.504 412 HG2 PRO 54 1HG PRO 54 -21.167 -13.025 -2.980 413 HG3 PRO 54 2HG PRO 54 -22.484 -12.978 -4.166 414 HD2 PRO 54 1HD PRO 54 -20.648 -14.967 -4.107 415 HD3 PRO 54 2HD PRO 54 -21.401 -14.406 -5.615 416 H GLU 55 H GLU 55 -19.240 -13.098 -2.686 417 HA GLU 55 HA GLU 55 -17.719 -11.089 -1.423 418 HB2 GLU 55 1HB GLU 55 -18.119 -13.984 -0.650 419 HB3 GLU 55 2HB GLU 55 -17.430 -12.751 0.395 420 HG2 GLU 55 1HG GLU 55 -19.520 -11.512 0.343 421 HG3 GLU 55 2HG GLU 55 -20.215 -12.713 -0.744 422 H GLU 56 H GLU 56 -16.835 -13.911 -3.257 423 HA GLU 56 HA GLU 56 -14.169 -14.175 -2.380 424 HB2 GLU 56 1HB GLU 56 -15.330 -15.933 -3.634 425 HB3 GLU 56 2HB GLU 56 -15.389 -14.894 -5.051 426 HG2 GLU 56 1HG GLU 56 -13.136 -15.115 -5.477 427 HG3 GLU 56 2HG GLU 56 -12.759 -15.561 -3.814 428 H LEU 57 H LEU 57 -15.622 -12.341 -5.037 429 HA LEU 57 HA LEU 57 -13.309 -11.431 -6.273 430 HG LEU 57 HG LEU 57 -15.924 -12.243 -7.236 431 HB2 LEU 57 1HB LEU 57 -15.956 -10.034 -5.922 432 HB3 LEU 57 2HB LEU 57 -14.690 -9.513 -7.031 433 HD11 LEU 57 1HD1 LEU 57 -17.735 -10.578 -7.292 434 HD12 LEU 57 2HD1 LEU 57 -17.502 -11.374 -8.848 435 HD13 LEU 57 3HD1 LEU 57 -16.899 -9.736 -8.598 436 HD21 LEU 57 3HD2 LEU 57 -14.432 -12.430 -8.868 437 HD22 LEU 57 1HD2 LEU 57 -13.910 -10.762 -8.636 438 HD23 LEU 57 2HD2 LEU 57 -15.251 -11.122 -9.723 439 H GLN 58 H GLN 58 -15.222 -9.767 -3.764 440 HA GLN 58 HA GLN 58 -13.473 -7.605 -3.422 441 HB2 GLN 58 1HB GLN 58 -15.671 -7.404 -2.550 442 HB3 GLN 58 2HB GLN 58 -15.507 -8.872 -1.595 443 HG2 GLN 58 1HG GLN 58 -15.407 -6.940 -0.164 444 HG3 GLN 58 2HG GLN 58 -13.844 -7.754 -0.183 445 HE21 GLN 58 2HE2 GLN 58 -12.218 -6.396 -0.200 446 HE22 GLN 58 1HE2 GLN 58 -12.171 -4.862 -0.992 447 H GLU 59 H GLU 59 -13.317 -10.868 -2.295 448 HA GLU 59 HA GLU 59 -11.668 -10.571 -0.055 449 HB2 GLU 59 1HB GLU 59 -12.864 -12.676 -1.090 450 HB3 GLU 59 2HB GLU 59 -11.319 -12.901 -1.897 451 HG2 GLU 59 1HG GLU 59 -11.283 -14.207 0.075 452 HG3 GLU 59 2HG GLU 59 -10.225 -12.824 0.346 453 H MET 60 H MET 60 -10.757 -11.266 -3.432 454 HA MET 60 HA MET 60 -7.967 -11.068 -2.955 455 HB2 MET 60 1HB MET 60 -9.588 -10.925 -5.498 456 HB3 MET 60 2HB MET 60 -7.830 -10.920 -5.467 457 HG2 MET 60 1HG MET 60 -7.890 -13.110 -4.318 458 HG3 MET 60 2HG MET 60 -9.643 -13.116 -4.498 459 HE1 MET 60 3HE MET 60 -10.306 -14.511 -7.803 460 HE2 MET 60 1HE MET 60 -10.769 -14.199 -6.130 461 HE3 MET 60 2HE MET 60 -10.724 -12.874 -7.294 462 H ILE 61 H ILE 61 -10.453 -8.757 -3.691 463 HA ILE 61 HA ILE 61 -8.690 -6.668 -4.544 464 HB ILE 61 HB ILE 61 -11.562 -6.579 -3.619 465 HG12 ILE 61 1HG1 ILE 61 -10.304 -6.453 -6.369 466 HG13 ILE 61 2HG1 ILE 61 -11.225 -7.800 -5.709 467 HG21 ILE 61 1HG2 ILE 61 -10.541 -4.432 -3.206 468 HG22 ILE 61 2HG2 ILE 61 -9.855 -4.409 -4.829 469 HG23 ILE 61 3HG2 ILE 61 -11.602 -4.314 -4.609 470 HD11 ILE 61 3HD1 ILE 61 -12.951 -6.884 -6.774 471 HD12 ILE 61 1HD1 ILE 61 -12.977 -5.728 -5.443 472 HD13 ILE 61 2HD1 ILE 61 -12.141 -5.327 -6.944 473 H ASP 62 H ASP 62 -9.769 -7.876 -1.504 474 HA ASP 62 HA ASP 62 -9.433 -5.547 0.062 475 HB2 ASP 62 1HB ASP 62 -10.660 -7.583 0.805 476 HB3 ASP 62 2HB ASP 62 -9.120 -8.427 0.932 477 H GLU 63 H GLU 63 -7.257 -8.285 -0.593 478 HA GLU 63 HA GLU 63 -5.085 -7.193 0.888 479 HB2 GLU 63 1HB GLU 63 -5.669 -9.641 -0.319 480 HB3 GLU 63 2HB GLU 63 -4.277 -9.033 -1.204 481 HG2 GLU 63 1HG GLU 63 -2.958 -8.926 0.748 482 HG3 GLU 63 2HG GLU 63 -4.357 -9.159 1.793 483 H VAL 64 H VAL 64 -6.289 -6.731 -2.306 484 HA VAL 64 HA VAL 64 -3.826 -5.694 -3.390 485 HB VAL 64 HB VAL 64 -6.648 -5.651 -4.462 486 HG11 VAL 64 1HG1 VAL 64 -5.467 -3.752 -5.355 487 HG12 VAL 64 2HG1 VAL 64 -4.074 -4.759 -5.755 488 HG13 VAL 64 3HG1 VAL 64 -5.601 -4.986 -6.607 489 HG21 VAL 64 3HG2 VAL 64 -6.162 -7.553 -5.614 490 HG22 VAL 64 1HG2 VAL 64 -4.445 -7.169 -5.739 491 HG23 VAL 64 2HG2 VAL 64 -5.099 -7.803 -4.229 492 H ASP 65 H ASP 65 -6.969 -4.315 -2.450 493 HA ASP 65 HA ASP 65 -6.281 -1.630 -2.951 494 HB2 ASP 65 1HB ASP 65 -8.606 -2.726 -2.514 495 HB3 ASP 65 2HB ASP 65 -8.245 -2.408 -0.819 496 H GLU 66 H GLU 66 -4.577 -0.680 -2.032 497 HA GLU 66 HA GLU 66 -3.505 -1.391 0.485 498 HB2 GLU 66 1HB GLU 66 -3.086 1.200 -1.012 499 HB3 GLU 66 2HB GLU 66 -2.030 0.505 0.210 500 HG2 GLU 66 1HG GLU 66 -2.633 -0.811 -2.425 501 HG3 GLU 66 2HG GLU 66 -1.244 0.236 -2.139 502 H ASP 67 H ASP 67 -5.849 0.995 -0.532 503 HA ASP 67 HA ASP 67 -5.954 2.136 2.161 504 HB2 ASP 67 1HB ASP 67 -7.639 3.710 1.030 505 HB3 ASP 67 2HB ASP 67 -5.951 3.848 0.546 506 H GLY 68 H GLY 68 -7.382 -0.316 0.409 507 HA2 GLY 68 1HA GLY 68 -9.263 -1.597 0.712 508 HA3 GLY 68 2HA GLY 68 -9.204 -1.042 2.378 509 H SER 69 H SER 69 -9.744 0.867 -0.555 510 HA SER 69 HA SER 69 -12.029 2.135 0.635 511 HG SER 69 HG SER 69 -11.185 2.118 -3.096 512 HB2 SER 69 1HB SER 69 -12.169 3.289 -1.617 513 HB3 SER 69 2HB SER 69 -10.647 3.506 -0.752 514 H GLY 70 H GLY 70 -11.516 -0.631 -1.301 515 HA2 GLY 70 1HA GLY 70 -13.291 -2.230 -1.561 516 HA3 GLY 70 2HA GLY 70 -14.427 -0.893 -1.654 517 H THR 71 H THR 71 -11.677 -0.188 -3.423 518 HA THR 71 HA THR 71 -12.610 -1.467 -5.873 519 HB THR 71 HB THR 71 -12.732 0.583 -7.142 520 HG1 THR 71 HG1 THR 71 -12.539 2.612 -5.988 521 HG21 THR 71 3HG2 THR 71 -14.331 1.171 -4.673 522 HG22 THR 71 1HG2 THR 71 -14.699 -0.231 -5.677 523 HG23 THR 71 2HG2 THR 71 -14.778 1.392 -6.364 524 H VAL 72 H VAL 72 -11.079 -1.276 -7.647 525 HA VAL 72 HA VAL 72 -8.328 -1.038 -6.647 526 HB VAL 72 HB VAL 72 -9.635 -2.745 -8.672 527 HG11 VAL 72 1HG1 VAL 72 -7.404 -3.069 -9.831 528 HG12 VAL 72 2HG1 VAL 72 -8.278 -1.585 -10.217 529 HG13 VAL 72 3HG1 VAL 72 -6.913 -1.541 -9.101 530 HG21 VAL 72 3HG2 VAL 72 -8.072 -3.031 -6.337 531 HG22 VAL 72 1HG2 VAL 72 -8.774 -4.300 -7.341 532 HG23 VAL 72 2HG2 VAL 72 -7.143 -3.716 -7.671 533 H ASP 73 H ASP 73 -7.120 0.630 -7.243 534 HA ASP 73 HA ASP 73 -8.047 2.339 -9.431 535 HB2 ASP 73 1HB ASP 73 -6.117 2.790 -7.156 536 HB3 ASP 73 2HB ASP 73 -6.296 3.931 -8.487 537 H PHE 74 H PHE 74 -6.332 3.352 -10.806 538 HA PHE 74 HA PHE 74 -4.994 1.489 -12.322 539 HD1 PHE 74 HD1 PHE 74 -3.864 1.328 -13.945 540 HD2 PHE 74 HD2 PHE 74 -2.784 5.421 -13.497 541 HE1 PHE 74 HE1 PHE 74 -2.118 1.051 -15.656 542 HE2 PHE 74 HE2 PHE 74 -1.037 5.150 -15.208 543 HZ PHE 74 HZ PHE 74 -0.703 2.964 -16.291 544 HB2 PHE 74 1HB PHE 74 -5.434 3.791 -13.066 545 HB3 PHE 74 2HB PHE 74 -4.229 4.390 -11.930 546 H ASP 75 H ASP 75 -3.905 3.146 -9.438 547 HA ASP 75 HA ASP 75 -1.163 2.497 -9.628 548 HB2 ASP 75 1HB ASP 75 -2.140 4.230 -8.107 549 HB3 ASP 75 2HB ASP 75 -2.766 2.927 -7.101 550 H GLU 76 H GLU 76 -3.685 1.030 -7.568 551 HA GLU 76 HA GLU 76 -2.088 -1.178 -6.811 552 HB2 GLU 76 1HB GLU 76 -5.103 -0.960 -6.808 553 HB3 GLU 76 2HB GLU 76 -4.145 -2.123 -5.902 554 HG2 GLU 76 1HG GLU 76 -3.434 -0.563 -4.377 555 HG3 GLU 76 2HG GLU 76 -3.669 0.787 -5.487 556 H TRP 77 H TRP 77 -3.957 -0.502 -9.613 557 HA TRP 77 HA TRP 77 -4.510 -3.159 -10.429 558 HD1 TRP 77 HD1 TRP 77 -7.403 -2.715 -11.952 559 HE1 TRP 77 HE1 TRP 77 -7.786 -4.167 -14.042 560 HE3 TRP 77 HE3 TRP 77 -2.821 -2.189 -14.157 561 HZ2 TRP 77 HZ2 TRP 77 -6.338 -4.982 -16.323 562 HZ3 TRP 77 HZ3 TRP 77 -2.401 -3.338 -16.292 563 HH2 TRP 77 HH2 TRP 77 -4.124 -4.706 -17.351 564 HB2 TRP 77 1HB TRP 77 -5.546 -0.965 -11.290 565 HB3 TRP 77 2HB TRP 77 -4.123 -0.848 -12.321 566 H LEU 78 H LEU 78 -1.888 -0.897 -11.211 567 HA LEU 78 HA LEU 78 -0.547 -2.595 -13.023 568 HG LEU 78 HG LEU 78 -1.079 0.481 -13.054 569 HB2 LEU 78 1HB LEU 78 0.428 -0.303 -11.332 570 HB3 LEU 78 2HB LEU 78 1.425 -1.119 -12.534 571 HD11 LEU 78 1HD1 LEU 78 0.614 1.818 -14.423 572 HD12 LEU 78 2HD1 LEU 78 1.848 0.977 -13.485 573 HD13 LEU 78 3HD1 LEU 78 0.662 1.993 -12.668 574 HD21 LEU 78 3HD2 LEU 78 -0.229 0.106 -15.482 575 HD22 LEU 78 1HD2 LEU 78 -1.192 -1.143 -14.692 576 HD23 LEU 78 2HD2 LEU 78 0.561 -1.314 -14.794 577 H VAL 79 H VAL 79 0.108 -1.878 -9.593 578 HA VAL 79 HA VAL 79 2.228 -3.692 -9.288 579 HB VAL 79 HB VAL 79 1.928 -3.467 -6.909 580 HG11 VAL 79 1HG1 VAL 79 2.946 -1.567 -7.894 581 HG12 VAL 79 2HG1 VAL 79 1.394 -0.939 -8.453 582 HG13 VAL 79 3HG1 VAL 79 1.771 -0.957 -6.730 583 HG21 VAL 79 3HG2 VAL 79 -0.378 -3.796 -6.573 584 HG22 VAL 79 1HG2 VAL 79 -0.072 -2.132 -6.074 585 HG23 VAL 79 2HG2 VAL 79 -0.808 -2.462 -7.643 586 H MET 80 H MET 80 -1.241 -4.113 -9.150 587 HA MET 80 HA MET 80 -1.395 -6.560 -7.826 588 HB2 MET 80 1HB MET 80 -3.412 -5.377 -8.245 589 HB3 MET 80 2HB MET 80 -3.113 -5.336 -9.978 590 HG2 MET 80 1HG MET 80 -3.656 -7.590 -10.245 591 HG3 MET 80 2HG MET 80 -3.497 -7.922 -8.522 592 HE1 MET 80 3HE MET 80 -6.846 -5.131 -9.983 593 HE2 MET 80 1HE MET 80 -5.325 -4.569 -9.291 594 HE3 MET 80 2HE MET 80 -5.331 -5.398 -10.847 595 H MET 81 H MET 81 -1.317 -5.990 -11.349 596 HA MET 81 HA MET 81 -1.031 -8.734 -12.004 597 HB2 MET 81 1HB MET 81 -0.358 -7.832 -14.265 598 HB3 MET 81 2HB MET 81 -1.924 -7.295 -13.672 599 HG2 MET 81 1HG MET 81 -1.078 -5.153 -13.117 600 HG3 MET 81 2HG MET 81 0.586 -5.675 -13.369 601 HE1 MET 81 3HE MET 81 -2.729 -6.163 -15.414 602 HE2 MET 81 1HE MET 81 -2.088 -6.031 -17.053 603 HE3 MET 81 2HE MET 81 -1.542 -7.332 -15.995 604 H ALA 82 H ALA 82 1.246 -6.141 -11.379 605 HA ALA 82 HA ALA 82 3.580 -7.220 -12.408 606 HB1 ALA 82 1HB ALA 82 2.937 -5.006 -10.920 607 HB2 ALA 82 2HB ALA 82 3.971 -5.925 -9.825 608 HB3 ALA 82 3HB ALA 82 4.562 -5.471 -11.424 609 H ARG 83 H ARG 83 1.774 -8.135 -9.583 610 HA ARG 83 HA ARG 83 3.785 -9.524 -8.189 611 HE ARG 83 HE ARG 83 2.017 -8.371 -3.644 612 HB2 ARG 83 1HB ARG 83 1.097 -8.970 -7.791 613 HB3 ARG 83 2HB ARG 83 1.137 -10.721 -7.954 614 HG2 ARG 83 1HG ARG 83 2.312 -11.015 -6.030 615 HG3 ARG 83 2HG ARG 83 3.138 -9.462 -6.167 616 HD2 ARG 83 1HD ARG 83 0.933 -8.366 -5.657 617 HD3 ARG 83 2HD ARG 83 0.303 -9.971 -5.288 618 HH11 ARG 83 1HH1 ARG 83 1.077 -11.628 -4.434 619 HH12 ARG 83 2HH1 ARG 83 1.538 -12.274 -2.893 620 HH21 ARG 83 1HH2 ARG 83 2.627 -9.208 -1.612 621 HH22 ARG 83 2HH2 ARG 83 2.418 -10.896 -1.289 622 H CYS 84 H CYS 84 1.942 -10.318 -11.004 623 HA CYS 84 HA CYS 84 2.256 -13.142 -10.888 624 HG CYS 84 HG CYS 84 2.391 -14.444 -13.494 625 HB2 CYS 84 1HB CYS 84 0.552 -11.889 -12.271 626 HB3 CYS 84 2HB CYS 84 1.859 -11.468 -13.371 627 H MET 85 H MET 85 4.390 -10.599 -11.608 628 HA MET 85 HA MET 85 6.098 -12.062 -13.401 629 HB2 MET 85 1HB MET 85 6.502 -9.480 -11.885 630 HB3 MET 85 2HB MET 85 7.665 -10.142 -13.026 631 HG2 MET 85 1HG MET 85 4.834 -9.589 -13.827 632 HG3 MET 85 2HG MET 85 6.063 -8.327 -13.842 633 HE1 MET 85 3HE MET 85 5.248 -9.325 -17.492 634 HE2 MET 85 1HE MET 85 4.436 -10.623 -16.616 635 HE3 MET 85 2HE MET 85 4.340 -8.965 -16.022 636 H LYS 86 H LYS 86 6.446 -10.905 -10.045 637 HA LYS 86 HA LYS 86 8.801 -12.491 -9.611 638 HB2 LYS 86 1HB LYS 86 7.067 -10.833 -7.782 639 HB3 LYS 86 2HB LYS 86 8.461 -11.737 -7.206 640 HG2 LYS 86 1HG LYS 86 8.526 -9.570 -9.296 641 HG3 LYS 86 2HG LYS 86 8.990 -9.385 -7.603 642 HD2 LYS 86 1HD LYS 86 10.612 -11.349 -8.095 643 HD3 LYS 86 2HD LYS 86 10.356 -10.914 -9.787 644 HE2 LYS 86 1HE LYS 86 12.272 -9.723 -9.123 645 HE3 LYS 86 2HE LYS 86 10.965 -8.541 -9.109 646 HZ1 LYS 86 3HZ LYS 86 11.082 -8.308 -6.889 647 HZ2 LYS 86 1HZ LYS 86 12.661 -8.882 -7.092 648 HZ3 LYS 86 2HZ LYS 86 11.432 -9.939 -6.608 649 H ASP 87 H ASP 87 7.033 -14.274 -10.478 650 HA ASP 87 HA ASP 87 5.526 -15.500 -8.369 651 HB2 ASP 87 1HB ASP 87 4.735 -15.759 -10.628 652 HB3 ASP 87 2HB ASP 87 6.275 -16.445 -11.140 653 H ASP 88 H ASP 88 8.742 -15.794 -9.641 654 HA ASP 88 HA ASP 88 9.219 -18.238 -8.100 655 HB2 ASP 88 1HB ASP 88 10.100 -17.449 -10.595 656 HB3 ASP 88 2HB ASP 88 11.496 -17.134 -9.567 657 H SER 89 H SER 89 11.855 -18.031 -7.478 658 HA SER 89 HA SER 89 13.292 -17.254 -5.893 659 HG SER 89 HG SER 89 13.167 -14.215 -8.035 660 HB2 SER 89 1HB SER 89 12.060 -14.521 -6.156 661 HB3 SER 89 2HB SER 89 13.737 -14.948 -5.814
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