NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
22712 | 2jqh | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASN 10 HN ASN 10 -3.271 13.144 4.192 2 HA ASN 10 HA ASN 10 -2.705 11.510 1.842 3 HB2 ASN 10 HB2 ASN 10 -1.105 12.005 4.361 4 HB3 ASN 10 HB1 ASN 10 -0.568 11.004 3.016 5 HD21 ASN 10 HD21 ASN 10 -0.559 14.063 4.333 6 HD22 ASN 10 HD22 ASN 10 -0.012 14.946 2.953 7 H LEU 11 HN LEU 11 -3.640 11.199 5.207 8 HA LEU 11 HA LEU 11 -3.268 8.405 5.433 9 HG LEU 11 HG LEU 11 -5.291 7.549 7.158 10 HB2 LEU 11 HB2 LEU 11 -3.508 9.930 7.360 11 HB3 LEU 11 HB1 LEU 11 -5.187 10.191 6.930 12 HD11 LEU 11 HD11 LEU 11 -3.117 6.951 7.661 13 HD12 LEU 11 HD12 LEU 11 -3.856 7.049 9.259 14 HD13 LEU 11 HD13 LEU 11 -2.848 8.371 8.671 15 HD21 LEU 11 HD23 LEU 11 -5.502 9.712 9.198 16 HD22 LEU 11 HD21 LEU 11 -5.692 8.033 9.703 17 HD23 LEU 11 HD22 LEU 11 -6.764 8.712 8.479 18 H GLN 12 HN GLN 12 -6.130 10.372 4.681 19 HA GLN 12 HA GLN 12 -7.958 8.265 4.438 20 HB2 GLN 12 HB2 GLN 12 -8.406 10.789 4.519 21 HB3 GLN 12 HB1 GLN 12 -8.079 10.784 2.791 22 HG2 GLN 12 HG2 GLN 12 -9.868 8.907 2.722 23 HG3 GLN 12 HG1 GLN 12 -10.340 9.553 4.291 24 HE21 GLN 12 HE21 GLN 12 -12.000 10.856 4.117 25 HE22 GLN 12 HE22 GLN 12 -12.290 11.986 2.842 26 H LYS 13 HN LYS 13 -5.630 9.591 2.181 27 HA LYS 13 HA LYS 13 -6.637 8.290 -0.136 28 HB2 LYS 13 HB2 LYS 13 -5.158 10.253 -0.251 29 HB3 LYS 13 HB1 LYS 13 -3.849 9.308 0.444 30 HG2 LYS 13 HG2 LYS 13 -3.468 9.410 -1.886 31 HG3 LYS 13 HG1 LYS 13 -4.035 7.776 -1.534 32 HD2 LYS 13 HD2 LYS 13 -6.010 8.080 -2.626 33 HD3 LYS 13 HD1 LYS 13 -6.082 9.801 -2.241 34 HE2 LYS 13 HE2 LYS 13 -4.176 10.116 -3.867 35 HE3 LYS 13 HE1 LYS 13 -4.440 8.446 -4.368 36 HZ1 LYS 13 HZ3 LYS 13 -6.907 9.396 -4.562 37 HZ2 LYS 13 HZ1 LYS 13 -5.801 9.440 -5.842 38 HZ3 LYS 13 HZ2 LYS 13 -6.044 10.814 -4.887 39 H ALA 14 HN ALA 14 -4.442 7.366 2.421 40 HA ALA 14 HA ALA 14 -3.357 5.082 1.104 41 HB1 ALA 14 HB3 ALA 14 -2.284 4.590 3.132 42 HB2 ALA 14 HB1 ALA 14 -3.501 5.443 4.082 43 HB3 ALA 14 HB2 ALA 14 -2.368 6.351 3.081 44 H ILE 15 HN ILE 15 -6.041 5.605 3.342 45 HA ILE 15 HA ILE 15 -6.663 2.828 3.623 46 HB ILE 15 HB ILE 15 -8.505 5.157 4.153 47 HG12 ILE 15 HG12 ILE 15 -6.472 3.880 5.996 48 HG13 ILE 15 HG11 ILE 15 -6.365 5.499 5.312 49 HG21 ILE 15 HG21 ILE 15 -9.589 3.662 5.711 50 HG22 ILE 15 HG22 ILE 15 -8.400 2.404 5.375 51 HG23 ILE 15 HG23 ILE 15 -9.526 2.912 4.116 52 HD11 ILE 15 HD13 ILE 15 -8.412 6.115 6.528 53 HD12 ILE 15 HD11 ILE 15 -7.103 5.613 7.598 54 HD13 ILE 15 HD12 ILE 15 -8.435 4.509 7.257 55 H ASP 16 HN ASP 16 -7.932 5.487 1.661 56 HA ASP 16 HA ASP 16 -10.110 4.135 0.534 57 HB2 ASP 16 HB2 ASP 16 -9.251 6.667 0.397 58 HB3 ASP 16 HB1 ASP 16 -8.638 6.094 -1.152 59 H LEU 17 HN LEU 17 -6.767 4.477 -0.616 60 HA LEU 17 HA LEU 17 -7.171 2.922 -2.967 61 HG LEU 17 HG LEU 17 -6.200 5.242 -3.309 62 HB2 LEU 17 HB2 LEU 17 -4.757 3.923 -1.497 63 HB3 LEU 17 HB1 LEU 17 -4.580 2.795 -2.828 64 HD11 LEU 17 HD11 LEU 17 -3.840 5.633 -2.079 65 HD12 LEU 17 HD12 LEU 17 -4.509 6.732 -3.285 66 HD13 LEU 17 HD13 LEU 17 -3.303 5.535 -3.756 67 HD21 LEU 17 HD23 LEU 17 -4.395 3.434 -4.876 68 HD22 LEU 17 HD21 LEU 17 -4.851 5.024 -5.487 69 HD23 LEU 17 HD22 LEU 17 -6.094 3.819 -5.150 70 H ALA 18 HN ALA 18 -6.182 2.209 0.317 71 HA ALA 18 HA ALA 18 -5.200 -0.403 -0.145 72 HB1 ALA 18 HB3 ALA 18 -5.330 -0.699 2.245 73 HB2 ALA 18 HB1 ALA 18 -6.402 0.694 2.393 74 HB3 ALA 18 HB2 ALA 18 -4.727 0.920 1.889 75 H SER 19 HN SER 19 -8.401 0.858 0.648 76 HA SER 19 HA SER 19 -9.650 -1.643 1.065 77 HG SER 19 HG SER 19 -12.560 -0.003 1.733 78 HB2 SER 19 HB2 SER 19 -10.460 0.800 1.604 79 HB3 SER 19 HB1 SER 19 -11.170 0.707 -0.008 80 H LYS 20 HN LYS 20 -9.405 0.452 -1.789 81 HA LYS 20 HA LYS 20 -10.950 -1.183 -3.493 82 HB2 LYS 20 HB2 LYS 20 -8.930 0.984 -3.969 83 HB3 LYS 20 HB1 LYS 20 -9.627 0.091 -5.314 84 HG2 LYS 20 HG2 LYS 20 -11.650 1.073 -5.099 85 HG3 LYS 20 HG1 LYS 20 -11.510 1.225 -3.346 86 HD2 LYS 20 HD2 LYS 20 -11.410 3.429 -4.146 87 HD3 LYS 20 HD1 LYS 20 -9.736 2.994 -3.810 88 HE2 LYS 20 HE2 LYS 20 -9.512 3.935 -5.886 89 HE3 LYS 20 HE1 LYS 20 -9.763 2.246 -6.327 90 HZ1 LYS 20 HZ3 LYS 20 -12.260 3.044 -6.314 91 HZ2 LYS 20 HZ1 LYS 20 -11.270 3.220 -7.680 92 HZ3 LYS 20 HZ2 LYS 20 -11.540 4.538 -6.653 93 H ALA 21 HN ALA 21 -7.514 -1.075 -2.751 94 HA ALA 21 HA ALA 21 -6.643 -2.839 -4.769 95 HB1 ALA 21 HB3 ALA 21 -4.579 -2.807 -3.727 96 HB2 ALA 21 HB1 ALA 21 -5.279 -2.678 -2.114 97 HB3 ALA 21 HB2 ALA 21 -5.288 -1.284 -3.193 98 H ALA 22 HN ALA 22 -7.577 -3.403 -1.389 99 HA ALA 22 HA ALA 22 -7.060 -6.169 -1.360 100 HB1 ALA 22 HB3 ALA 22 -7.656 -4.426 0.552 101 HB2 ALA 22 HB1 ALA 22 -7.921 -6.158 0.747 102 HB3 ALA 22 HB2 ALA 22 -9.266 -5.103 0.313 103 H GLN 23 HN GLN 23 -9.799 -4.299 -2.462 104 HA GLN 23 HA GLN 23 -11.540 -6.580 -2.710 105 HB2 GLN 23 HB2 GLN 23 -11.720 -3.670 -3.353 106 HB3 GLN 23 HB1 GLN 23 -12.840 -4.775 -4.141 107 HG2 GLN 23 HG2 GLN 23 -13.260 -5.626 -1.716 108 HG3 GLN 23 HG1 GLN 23 -12.600 -4.060 -1.259 109 HE21 GLN 23 HE21 GLN 23 -13.560 -2.468 -3.277 110 HE22 GLN 23 HE22 GLN 23 -15.280 -2.380 -3.167 111 H GLU 24 HN GLU 24 -9.412 -4.725 -4.791 112 HA GLU 24 HA GLU 24 -10.290 -5.758 -7.263 113 HB2 GLU 24 HB2 GLU 24 -7.658 -4.582 -6.393 114 HB3 GLU 24 HB1 GLU 24 -7.988 -5.060 -8.052 115 HG2 GLU 24 HG2 GLU 24 -9.948 -3.261 -6.769 116 HG3 GLU 24 HG1 GLU 24 -8.364 -2.585 -7.144 117 H ASP 25 HN ASP 25 -7.647 -6.743 -5.108 118 HA ASP 25 HA ASP 25 -6.768 -8.898 -6.715 119 HB2 ASP 25 HB2 ASP 25 -5.534 -7.721 -4.787 120 HB3 ASP 25 HB1 ASP 25 -6.453 -8.779 -3.722 121 H LYS 26 HN LYS 26 -8.986 -8.711 -3.958 122 HA LYS 26 HA LYS 26 -9.471 -11.500 -3.802 123 HB2 LYS 26 HB2 LYS 26 -10.000 -9.443 -2.161 124 HB3 LYS 26 HB1 LYS 26 -11.580 -9.614 -2.917 125 HG2 LYS 26 HG2 LYS 26 -11.970 -11.650 -1.972 126 HG3 LYS 26 HG1 LYS 26 -10.260 -12.050 -1.872 127 HD2 LYS 26 HD2 LYS 26 -10.320 -9.969 -0.190 128 HD3 LYS 26 HD1 LYS 26 -11.970 -10.550 0.014 129 HE2 LYS 26 HE2 LYS 26 -9.873 -12.620 0.050 130 HE3 LYS 26 HE1 LYS 26 -9.847 -11.480 1.400 131 HZ1 LYS 26 HZ3 LYS 26 -11.290 -13.650 1.475 132 HZ2 LYS 26 HZ1 LYS 26 -12.410 -12.690 0.649 133 HZ3 LYS 26 HZ2 LYS 26 -11.840 -12.210 2.172 134 H ALA 27 HN ALA 27 -10.880 -8.895 -5.651 135 HA ALA 27 HA ALA 27 -13.190 -10.360 -6.499 136 HB1 ALA 27 HB3 ALA 27 -11.970 -7.901 -7.736 137 HB2 ALA 27 HB1 ALA 27 -13.120 -7.899 -6.405 138 HB3 ALA 27 HB2 ALA 27 -13.600 -8.512 -7.988 139 H GLY 28 HN GLY 28 -10.050 -9.559 -7.963 140 HA2 GLY 28 HA2 GLY 28 -9.525 -11.840 -9.286 141 HA3 GLY 28 HA1 GLY 28 -10.670 -11.060 -10.360 142 H ASN 29 HN ASN 29 -9.749 -8.372 -9.726 143 HA ASN 29 HA ASN 29 -7.634 -8.215 -11.640 144 HB2 ASN 29 HB2 ASN 29 -8.744 -6.036 -9.861 145 HB3 ASN 29 HB1 ASN 29 -7.773 -5.805 -11.310 146 HD21 ASN 29 HD21 ASN 29 -9.847 -4.439 -11.570 147 HD22 ASN 29 HD22 ASN 29 -11.110 -5.193 -12.470 148 H TYR 30 HN TYR 30 -5.552 -8.500 -11.240 149 HA TYR 30 HA TYR 30 -4.563 -8.076 -8.507 150 HD1 TYR 30 HD1 TYR 30 -6.184 -10.180 -9.208 151 HD2 TYR 30 HD2 TYR 30 -2.209 -11.360 -8.256 152 HE1 TYR 30 HE1 TYR 30 -7.066 -11.960 -7.764 153 HE2 TYR 30 HE2 TYR 30 -3.080 -13.150 -6.810 154 HH TYR 30 HH TYR 30 -5.713 -13.330 -5.495 155 HB2 TYR 30 HB2 TYR 30 -3.695 -9.872 -10.740 156 HB3 TYR 30 HB1 TYR 30 -2.548 -9.417 -9.492 157 H GLU 31 HN GLU 31 -4.001 -7.278 -11.880 158 HA GLU 31 HA GLU 31 -1.564 -5.927 -11.600 159 HB2 GLU 31 HB2 GLU 31 -3.785 -5.888 -13.590 160 HB3 GLU 31 HB1 GLU 31 -2.595 -4.596 -13.660 161 HG2 GLU 31 HG2 GLU 31 -0.902 -6.608 -13.570 162 HG3 GLU 31 HG1 GLU 31 -2.284 -7.498 -14.210 163 H GLU 32 HN GLU 32 -4.873 -4.602 -11.670 164 HA GLU 32 HA GLU 32 -4.085 -1.953 -11.060 165 HB2 GLU 32 HB2 GLU 32 -6.337 -2.935 -12.020 166 HB3 GLU 32 HB1 GLU 32 -6.795 -2.975 -10.320 167 HG2 GLU 32 HG2 GLU 32 -7.512 -0.895 -10.700 168 HG3 GLU 32 HG1 GLU 32 -5.812 -0.463 -10.520 169 H ALA 33 HN ALA 33 -4.947 -4.719 -9.094 170 HA ALA 33 HA ALA 33 -5.231 -3.304 -6.645 171 HB1 ALA 33 HB3 ALA 33 -4.460 -6.198 -6.872 172 HB2 ALA 33 HB1 ALA 33 -6.097 -5.633 -7.209 173 HB3 ALA 33 HB2 ALA 33 -5.397 -5.403 -5.606 174 H LEU 34 HN LEU 34 -2.531 -4.871 -8.272 175 HA LEU 34 HA LEU 34 -0.689 -4.837 -6.161 176 HG LEU 34 HG LEU 34 1.845 -4.002 -7.993 177 HB2 LEU 34 HB2 LEU 34 -0.318 -6.099 -8.211 178 HB3 LEU 34 HB1 LEU 34 -0.214 -4.612 -9.133 179 HD11 LEU 34 HD11 LEU 34 2.885 -5.898 -6.564 180 HD12 LEU 34 HD12 LEU 34 1.214 -6.419 -6.352 181 HD13 LEU 34 HD13 LEU 34 1.708 -4.808 -5.831 182 HD21 LEU 34 HD23 LEU 34 1.682 -5.723 -9.964 183 HD22 LEU 34 HD21 LEU 34 2.290 -6.849 -8.751 184 HD23 LEU 34 HD22 LEU 34 3.224 -5.412 -9.165 185 H GLN 35 HN GLN 35 -1.160 -2.480 -8.792 186 HA GLN 35 HA GLN 35 0.760 -0.635 -7.906 187 HB2 GLN 35 HB2 GLN 35 -1.613 -0.498 -9.717 188 HB3 GLN 35 HB1 GLN 35 -0.842 1.002 -9.219 189 HG2 GLN 35 HG2 GLN 35 0.655 -1.277 -10.480 190 HG3 GLN 35 HG1 GLN 35 -0.068 0.039 -11.400 191 HE21 GLN 35 HE21 GLN 35 2.220 0.268 -12.060 192 HE22 GLN 35 HE22 GLN 35 3.247 1.268 -11.100 193 H LEU 36 HN LEU 36 -2.570 -1.160 -6.986 194 HA LEU 36 HA LEU 36 -2.877 1.307 -5.576 195 HG LEU 36 HG LEU 36 -4.547 0.286 -7.567 196 HB2 LEU 36 HB2 LEU 36 -4.430 -1.277 -5.488 197 HB3 LEU 36 HB1 LEU 36 -4.885 0.159 -4.591 198 HD11 LEU 36 HD11 LEU 36 -6.536 -0.671 -8.029 199 HD12 LEU 36 HD12 LEU 36 -7.264 -0.150 -6.510 200 HD13 LEU 36 HD13 LEU 36 -6.206 -1.561 -6.542 201 HD21 LEU 36 HD23 LEU 36 -6.053 1.848 -5.486 202 HD22 LEU 36 HD21 LEU 36 -6.367 2.016 -7.213 203 HD23 LEU 36 HD22 LEU 36 -4.774 2.407 -6.565 204 H TYR 37 HN TYR 37 -1.933 -1.972 -4.706 205 HA TYR 37 HA TYR 37 -2.000 -1.702 -1.919 206 HD1 TYR 37 HD1 TYR 37 -3.013 -3.236 -1.132 207 HD2 TYR 37 HD2 TYR 37 -1.396 -5.443 -4.389 208 HE1 TYR 37 HE1 TYR 37 -4.941 -4.759 -1.049 209 HE2 TYR 37 HE2 TYR 37 -3.320 -6.972 -4.317 210 HH TYR 37 HH TYR 37 -5.219 -7.426 -1.904 211 HB2 TYR 37 HB2 TYR 37 -0.371 -3.455 -3.750 212 HB3 TYR 37 HB1 TYR 37 -0.223 -3.548 -1.998 213 H GLN 38 HN GLN 38 0.588 -1.050 -4.249 214 HA GLN 38 HA GLN 38 2.556 -0.374 -2.331 215 HB2 GLN 38 HB2 GLN 38 2.267 0.317 -5.255 216 HB3 GLN 38 HB1 GLN 38 3.671 0.765 -4.296 217 HG2 GLN 38 HG2 GLN 38 4.390 -1.418 -4.084 218 HG3 GLN 38 HG1 GLN 38 2.791 -2.084 -4.412 219 HE21 GLN 38 HE21 GLN 38 3.420 -3.428 -6.046 220 HE22 GLN 38 HE22 GLN 38 3.982 -2.865 -7.579 221 H HIS 39 HN HIS 39 0.140 1.511 -4.075 222 HA HIS 39 HA HIS 39 1.035 4.071 -3.363 223 HD1 HIS 39 HD1 HIS 39 -2.354 5.148 -6.109 224 HD2 HIS 39 HD2 HIS 39 1.626 4.099 -5.544 225 HE1 HIS 39 HE1 HIS 39 -1.138 6.012 -8.133 226 HE2 HIS 39 HE2 HIS 39 1.283 5.442 -7.727 227 HB2 HIS 39 HB2 HIS 39 -1.529 2.906 -4.315 228 HB3 HIS 39 HB1 HIS 39 -1.600 4.503 -3.576 229 H ALA 40 HN ALA 40 -1.259 1.887 -1.765 230 HA ALA 40 HA ALA 40 -2.040 3.593 0.307 231 HB1 ALA 40 HB3 ALA 40 -2.357 1.289 1.531 232 HB2 ALA 40 HB1 ALA 40 -2.022 0.639 -0.074 233 HB3 ALA 40 HB2 ALA 40 -3.380 1.739 0.167 234 H VAL 41 HN VAL 41 0.701 1.378 0.048 235 HA VAL 41 HA VAL 41 1.586 1.738 2.734 236 HB VAL 41 HB VAL 41 3.228 0.819 0.372 237 HG11 VAL 41 HG11 VAL 41 4.662 -0.213 1.968 238 HG12 VAL 41 HG12 VAL 41 3.554 0.154 3.291 239 HG13 VAL 41 HG13 VAL 41 4.426 1.457 2.484 240 HG21 VAL 41 HG23 VAL 41 1.852 -1.024 2.288 241 HG22 VAL 41 HG21 VAL 41 2.473 -1.355 0.671 242 HG23 VAL 41 HG22 VAL 41 1.001 -0.404 0.874 243 H GLN 42 HN GLN 42 2.201 3.361 -0.304 244 HA GLN 42 HA GLN 42 4.505 4.794 0.485 245 HB2 GLN 42 HB2 GLN 42 2.507 5.007 -1.711 246 HB3 GLN 42 HB1 GLN 42 3.506 6.417 -1.383 247 HG2 GLN 42 HG2 GLN 42 5.496 4.837 -1.547 248 HG3 GLN 42 HG1 GLN 42 4.366 3.679 -2.247 249 HE21 GLN 42 HE21 GLN 42 3.367 4.183 -4.238 250 HE22 GLN 42 HE22 GLN 42 4.075 5.322 -5.327 251 H TYR 43 HN TYR 43 1.051 5.576 0.577 252 HA TYR 43 HA TYR 43 1.465 8.198 1.651 253 HD1 TYR 43 HD1 TYR 43 0.209 9.757 0.184 254 HD2 TYR 43 HD2 TYR 43 -1.550 5.977 -0.665 255 HE1 TYR 43 HE1 TYR 43 -0.017 10.399 -2.178 256 HE2 TYR 43 HE2 TYR 43 -1.780 6.609 -3.030 257 HH TYR 43 HH TYR 43 -0.220 9.295 -4.376 258 HB2 TYR 43 HB2 TYR 43 -1.031 6.493 1.522 259 HB3 TYR 43 HB1 TYR 43 -0.991 8.193 1.978 260 H PHE 44 HN PHE 44 0.677 5.028 2.977 261 HA PHE 44 HA PHE 44 0.062 5.813 5.593 262 HD1 PHE 44 HD1 PHE 44 -1.344 4.927 6.702 263 HD2 PHE 44 HD2 PHE 44 -0.758 1.864 3.806 264 HE1 PHE 44 HE1 PHE 44 -3.738 4.366 6.816 265 HE2 PHE 44 HE2 PHE 44 -3.150 1.299 3.913 266 HZ PHE 44 HZ PHE 44 -4.643 2.551 5.419 267 HB2 PHE 44 HB2 PHE 44 0.989 3.280 4.316 268 HB3 PHE 44 HB1 PHE 44 1.045 3.395 6.072 269 H LEU 45 HN LEU 45 3.161 4.716 4.223 270 HA LEU 45 HA LEU 45 4.653 5.084 6.591 271 HG LEU 45 HG LEU 45 4.536 2.916 4.425 272 HB2 LEU 45 HB2 LEU 45 5.554 5.063 3.710 273 HB3 LEU 45 HB1 LEU 45 6.629 4.987 5.093 274 HD11 LEU 45 HD11 LEU 45 7.435 3.159 3.769 275 HD12 LEU 45 HD12 LEU 45 6.100 2.572 2.777 276 HD13 LEU 45 HD13 LEU 45 6.743 1.566 4.075 277 HD21 LEU 45 HD23 LEU 45 6.623 3.121 6.578 278 HD22 LEU 45 HD21 LEU 45 5.893 1.587 6.102 279 HD23 LEU 45 HD22 LEU 45 4.886 2.879 6.756 280 H HIS 46 HN HIS 46 3.751 7.230 3.986 281 HA HIS 46 HA HIS 46 5.598 9.291 4.429 282 HD1 HIS 46 HD1 HIS 46 5.642 11.055 1.697 283 HD2 HIS 46 HD2 HIS 46 2.642 12.233 4.320 284 HE1 HIS 46 HE1 HIS 46 5.664 13.569 1.657 285 HE2 HIS 46 HE2 HIS 46 3.898 14.259 3.316 286 HB2 HIS 46 HB2 HIS 46 4.138 9.140 2.436 287 HB3 HIS 46 HB1 HIS 46 2.748 9.533 3.442 288 H VAL 47 HN VAL 47 2.508 8.562 5.949 289 HA VAL 47 HA VAL 47 2.385 10.993 7.452 290 HB VAL 47 HB VAL 47 0.939 8.412 8.048 291 HG11 VAL 47 HG11 VAL 47 0.395 9.667 9.846 292 HG12 VAL 47 HG12 VAL 47 -0.759 10.383 8.721 293 HG13 VAL 47 HG13 VAL 47 0.779 11.187 9.038 294 HG21 VAL 47 HG23 VAL 47 0.562 10.397 5.898 295 HG22 VAL 47 HG21 VAL 47 -0.895 9.895 6.755 296 HG23 VAL 47 HG22 VAL 47 0.120 8.691 5.961 297 H VAL 48 HN VAL 48 3.206 7.626 8.260 298 HA VAL 48 HA VAL 48 3.767 8.035 10.971 299 HB VAL 48 HB VAL 48 5.137 6.019 9.191 300 HG11 VAL 48 HG11 VAL 48 5.722 6.538 11.733 301 HG12 VAL 48 HG12 VAL 48 5.752 4.903 11.073 302 HG13 VAL 48 HG13 VAL 48 4.354 5.456 11.994 303 HG21 VAL 48 HG23 VAL 48 2.344 6.203 10.127 304 HG22 VAL 48 HG21 VAL 48 3.122 4.630 10.304 305 HG23 VAL 48 HG22 VAL 48 3.018 5.389 8.716 306 H LYS 49 HN LYS 49 5.782 8.399 8.105 307 HA LYS 49 HA LYS 49 8.209 8.827 9.552 308 HB2 LYS 49 HB2 LYS 49 7.900 8.066 7.099 309 HB3 LYS 49 HB1 LYS 49 7.713 9.778 6.744 310 HG2 LYS 49 HG2 LYS 49 9.975 9.890 8.154 311 HG3 LYS 49 HG1 LYS 49 10.118 8.250 7.519 312 HD2 LYS 49 HD2 LYS 49 11.111 9.417 5.820 313 HD3 LYS 49 HD1 LYS 49 9.436 9.440 5.262 314 HE2 LYS 49 HE2 LYS 49 9.166 11.660 5.732 315 HE3 LYS 49 HE1 LYS 49 10.340 11.636 7.047 316 HZ1 LYS 49 HZ3 LYS 49 11.940 11.156 4.999 317 HZ2 LYS 49 HZ1 LYS 49 11.570 12.723 5.518 318 HZ3 LYS 49 HZ2 LYS 49 10.754 12.055 4.196 319 H TYR 50 HN TYR 50 5.890 10.961 7.916 320 HA TYR 50 HA TYR 50 7.272 13.358 8.596 321 HD1 TYR 50 HD2 TYR 50 6.723 11.699 6.082 322 HD2 TYR 50 HD1 TYR 50 5.442 15.753 6.239 323 HE1 TYR 50 HE2 TYR 50 7.790 12.114 3.906 324 HE2 TYR 50 HE1 TYR 50 6.505 16.179 4.063 325 HH TYR 50 HH TYR 50 7.635 13.669 2.045 326 HB2 TYR 50 HB2 TYR 50 4.549 12.734 7.497 327 HB3 TYR 50 HB1 TYR 50 4.943 14.372 8.008 328 H GLU 51 HN GLU 51 3.972 12.475 9.588 329 HA GLU 51 HA GLU 51 4.573 12.824 12.379 330 HB2 GLU 51 HB2 GLU 51 2.820 14.672 12.603 331 HB3 GLU 51 HB1 GLU 51 4.393 15.133 11.968 332 HG2 GLU 51 HG2 GLU 51 3.402 14.895 9.665 333 HG3 GLU 51 HG1 GLU 51 1.830 14.748 10.451 334 H ALA 52 HN ALA 52 3.664 10.854 12.779 335 HA ALA 52 HA ALA 52 1.177 10.005 11.697 336 HB1 ALA 52 HB3 ALA 52 2.090 8.783 14.222 337 HB2 ALA 52 HB1 ALA 52 3.219 8.711 12.869 338 HB3 ALA 52 HB2 ALA 52 1.601 8.028 12.705 339 H GLN 53 HN GLN 53 -0.433 9.075 13.549 340 HA GLN 53 HA GLN 53 -1.579 11.458 14.706 341 HB2 GLN 53 HB2 GLN 53 -2.571 8.618 14.962 342 HB3 GLN 53 HB1 GLN 53 -3.493 10.095 15.205 343 HG2 GLN 53 HG2 GLN 53 -2.239 9.615 12.552 344 HG3 GLN 53 HG1 GLN 53 -3.688 8.710 12.988 345 HE21 GLN 53 HE21 GLN 53 -3.088 10.916 11.020 346 HE22 GLN 53 HE22 GLN 53 -4.314 12.097 11.318 347 H GLY 54 HN GLY 54 -0.242 8.393 15.894 348 HA2 GLY 54 HA2 GLY 54 0.689 9.608 18.301 349 HA3 GLY 54 HA1 GLY 54 -0.750 8.643 18.595 350 H ASP 55 HN ASP 55 1.108 7.678 19.998 351 HA ASP 55 HA ASP 55 3.097 6.086 18.836 352 HB2 ASP 55 HB2 ASP 55 2.774 6.775 21.304 353 HB3 ASP 55 HB1 ASP 55 1.728 5.363 21.416 354 H LYS 56 HN LYS 56 -0.013 5.015 20.225 355 HA LYS 56 HA LYS 56 0.142 2.381 19.288 356 HB2 LYS 56 HB2 LYS 56 -1.404 3.093 21.057 357 HB3 LYS 56 HB1 LYS 56 -2.319 4.033 19.886 358 HG2 LYS 56 HG2 LYS 56 -1.958 1.174 19.261 359 HG3 LYS 56 HG1 LYS 56 -2.986 1.554 20.643 360 HD2 LYS 56 HD2 LYS 56 -3.313 2.798 17.917 361 HD3 LYS 56 HD1 LYS 56 -4.191 1.364 18.452 362 HE2 LYS 56 HE2 LYS 56 -4.306 4.132 19.636 363 HE3 LYS 56 HE1 LYS 56 -5.593 3.277 18.787 364 HZ1 LYS 56 HZ3 LYS 56 -5.276 1.553 20.669 365 HZ2 LYS 56 HZ1 LYS 56 -6.154 2.966 20.980 366 HZ3 LYS 56 HZ2 LYS 56 -4.551 2.834 21.503 367 H ALA 57 HN ALA 57 -0.957 5.323 17.758 368 HA ALA 57 HA ALA 57 -2.380 4.186 15.613 369 HB1 ALA 57 HB3 ALA 57 -2.623 6.305 14.876 370 HB2 ALA 57 HB1 ALA 57 -0.914 6.687 15.078 371 HB3 ALA 57 HB2 ALA 57 -1.993 6.707 16.473 372 H LYS 58 HN LYS 58 1.026 5.122 15.940 373 HA LYS 58 HA LYS 58 1.820 4.572 13.312 374 HB2 LYS 58 HB2 LYS 58 3.415 4.401 15.874 375 HB3 LYS 58 HB1 LYS 58 4.109 4.384 14.258 376 HG2 LYS 58 HG2 LYS 58 3.688 6.609 13.903 377 HG3 LYS 58 HG1 LYS 58 2.340 6.647 15.042 378 HD2 LYS 58 HD2 LYS 58 3.804 6.641 16.909 379 HD3 LYS 58 HD1 LYS 58 5.197 6.243 15.902 380 HE2 LYS 58 HE2 LYS 58 4.383 8.533 14.728 381 HE3 LYS 58 HE1 LYS 58 3.885 8.837 16.392 382 HZ1 LYS 58 HZ3 LYS 58 6.619 8.140 15.466 383 HZ2 LYS 58 HZ1 LYS 58 6.168 8.301 17.089 384 HZ3 LYS 58 HZ2 LYS 58 6.106 9.640 16.057 385 H GLN 59 HN GLN 59 1.703 2.498 16.179 386 HA GLN 59 HA GLN 59 2.920 0.234 15.068 387 HB2 GLN 59 HB2 GLN 59 1.098 0.743 17.366 388 HB3 GLN 59 HB1 GLN 59 1.287 -0.921 16.831 389 HG2 GLN 59 HG2 GLN 59 3.794 0.567 17.160 390 HG3 GLN 59 HG1 GLN 59 2.875 0.305 18.641 391 HE21 GLN 59 HE21 GLN 59 2.149 -1.958 19.009 392 HE22 GLN 59 HE22 GLN 59 3.238 -3.228 18.579 393 H SER 60 HN SER 60 -0.361 1.438 14.869 394 HA SER 60 HA SER 60 -1.537 -0.922 13.823 395 HG SER 60 HG SER 60 -4.265 0.206 14.552 396 HB2 SER 60 HB2 SER 60 -2.555 1.386 14.773 397 HB3 SER 60 HB1 SER 60 -2.684 1.701 13.043 398 H ILE 61 HN ILE 61 -0.050 1.917 12.343 399 HA ILE 61 HA ILE 61 -0.701 1.185 9.663 400 HB ILE 61 HB ILE 61 1.530 3.013 10.549 401 HG12 ILE 61 HG12 ILE 61 -1.380 3.665 10.027 402 HG13 ILE 61 HG11 ILE 61 -0.587 3.688 11.599 403 HG21 ILE 61 HG21 ILE 61 1.513 2.282 8.177 404 HG22 ILE 61 HG22 ILE 61 1.303 4.021 8.382 405 HG23 ILE 61 HG23 ILE 61 -0.088 3.003 8.007 406 HD11 ILE 61 HD13 ILE 61 0.671 5.580 11.059 407 HD12 ILE 61 HD11 ILE 61 -0.939 5.911 10.419 408 HD13 ILE 61 HD12 ILE 61 0.356 5.405 9.333 409 H ARG 62 HN ARG 62 2.011 0.588 11.807 410 HA ARG 62 HA ARG 62 3.875 -0.317 9.923 411 HE ARG 62 HE ARG 62 4.796 1.713 14.106 412 HB2 ARG 62 HB2 ARG 62 3.476 -0.685 12.851 413 HB3 ARG 62 HB1 ARG 62 4.589 -1.776 12.037 414 HG2 ARG 62 HG2 ARG 62 5.888 0.118 11.237 415 HG3 ARG 62 HG1 ARG 62 4.754 1.231 12.005 416 HD2 ARG 62 HD2 ARG 62 5.898 -0.847 13.754 417 HD3 ARG 62 HD1 ARG 62 7.036 0.361 13.157 418 HH11 ARG 62 HH11 ARG 62 7.349 -0.307 15.361 419 HH12 ARG 62 HH12 ARG 62 7.331 0.428 16.929 420 HH21 ARG 62 HH21 ARG 62 4.770 2.682 16.167 421 HH22 ARG 62 HH22 ARG 62 5.867 2.125 17.387 422 H ALA 63 HN ALA 63 1.379 -2.067 11.733 423 HA ALA 63 HA ALA 63 2.045 -4.628 10.702 424 HB1 ALA 63 HB3 ALA 63 0.290 -5.428 11.935 425 HB2 ALA 63 HB1 ALA 63 -0.723 -4.021 11.613 426 HB3 ALA 63 HB2 ALA 63 0.596 -3.909 12.778 427 H LYS 64 HN LYS 64 -0.136 -2.073 9.671 428 HA LYS 64 HA LYS 64 -1.434 -3.637 7.657 429 HB2 LYS 64 HB2 LYS 64 -1.293 -0.649 8.089 430 HB3 LYS 64 HB1 LYS 64 -2.298 -1.425 6.874 431 HG2 LYS 64 HG2 LYS 64 -3.821 -2.133 8.384 432 HG3 LYS 64 HG1 LYS 64 -2.615 -2.385 9.647 433 HD2 LYS 64 HD2 LYS 64 -3.797 -0.570 10.460 434 HD3 LYS 64 HD1 LYS 64 -2.445 0.209 9.637 435 HE2 LYS 64 HE2 LYS 64 -4.221 1.438 8.844 436 HE3 LYS 64 HE1 LYS 64 -4.068 0.207 7.591 437 HZ1 LYS 64 HZ3 LYS 64 -6.368 0.765 8.705 438 HZ2 LYS 64 HZ1 LYS 64 -5.836 -0.363 9.849 439 HZ3 LYS 64 HZ2 LYS 64 -5.982 -0.809 8.224 440 H CYS 65 HN CYS 65 1.194 -1.265 7.678 441 HA CYS 65 HA CYS 65 1.579 -1.089 4.910 442 HG CYS 65 HG CYS 65 2.209 1.268 5.009 443 HB2 CYS 65 HB2 CYS 65 3.219 -0.506 7.322 444 HB3 CYS 65 HB1 CYS 65 4.070 -0.641 5.787 445 H THR 66 HN THR 66 2.616 -3.471 7.246 446 HA THR 66 HA THR 66 4.437 -4.765 5.414 447 HB THR 66 HB THR 66 4.901 -4.773 7.821 448 HG1 THR 66 HG1 THR 66 5.559 -6.566 6.487 449 HG21 THR 66 HG23 THR 66 2.339 -6.325 8.020 450 HG22 THR 66 HG21 THR 66 2.780 -4.834 8.854 451 HG23 THR 66 HG22 THR 66 3.588 -6.347 9.266 452 H GLU 67 HN GLU 67 1.132 -5.133 6.485 453 HA GLU 67 HA GLU 67 0.691 -7.756 5.543 454 HB2 GLU 67 HB2 GLU 67 -0.823 -6.630 7.115 455 HB3 GLU 67 HB1 GLU 67 -1.276 -5.481 5.864 456 HG2 GLU 67 HG2 GLU 67 -2.989 -6.861 5.509 457 HG3 GLU 67 HG1 GLU 67 -1.812 -7.842 4.637 458 H TYR 68 HN TYR 68 0.007 -4.593 4.056 459 HA TYR 68 HA TYR 68 -0.915 -5.691 1.603 460 HD1 TYR 68 HD1 TYR 68 -3.039 -4.810 1.697 461 HD2 TYR 68 HD2 TYR 68 -1.013 -1.609 3.633 462 HE1 TYR 68 HE1 TYR 68 -5.090 -4.274 2.943 463 HE2 TYR 68 HE2 TYR 68 -3.058 -1.064 4.885 464 HH TYR 68 HH TYR 68 -5.588 -1.420 4.524 465 HB2 TYR 68 HB2 TYR 68 0.157 -2.914 2.147 466 HB3 TYR 68 HB1 TYR 68 -0.814 -3.401 0.761 467 H LEU 69 HN LEU 69 2.208 -4.502 2.732 468 HA LEU 69 HA LEU 69 3.559 -4.505 0.280 469 HG LEU 69 HG LEU 69 4.018 -2.462 2.050 470 HB2 LEU 69 HB2 LEU 69 4.383 -4.685 3.139 471 HB3 LEU 69 HB1 LEU 69 5.578 -5.041 1.907 472 HD11 LEU 69 HD11 LEU 69 6.566 -3.323 3.306 473 HD12 LEU 69 HD12 LEU 69 5.332 -2.207 3.892 474 HD13 LEU 69 HD13 LEU 69 6.474 -1.688 2.651 475 HD21 LEU 69 HD23 LEU 69 6.182 -1.877 0.619 476 HD22 LEU 69 HD21 LEU 69 4.704 -2.498 -0.116 477 HD23 LEU 69 HD22 LEU 69 6.051 -3.588 0.211 478 H ASP 70 HN ASP 70 3.018 -7.074 2.640 479 HA ASP 70 HA ASP 70 4.697 -8.999 1.432 480 HB2 ASP 70 HB2 ASP 70 3.624 -9.001 3.788 481 HB3 ASP 70 HB1 ASP 70 2.221 -9.704 2.989 482 H ARG 71 HN ARG 71 1.271 -8.225 1.042 483 HA ARG 71 HA ARG 71 0.687 -10.390 -0.701 484 HE ARG 71 HE ARG 71 -4.013 -10.440 -2.108 485 HB2 ARG 71 HB2 ARG 71 -0.900 -8.815 0.674 486 HB3 ARG 71 HB1 ARG 71 -0.848 -7.822 -0.776 487 HG2 ARG 71 HG2 ARG 71 -1.781 -9.570 -2.099 488 HG3 ARG 71 HG1 ARG 71 -1.624 -10.720 -0.777 489 HD2 ARG 71 HD2 ARG 71 -3.275 -9.561 0.516 490 HD3 ARG 71 HD1 ARG 71 -3.336 -8.250 -0.661 491 HH11 ARG 71 HH11 ARG 71 -5.208 -9.050 0.859 492 HH12 ARG 71 HH12 ARG 71 -6.826 -9.621 0.623 493 HH21 ARG 71 HH21 ARG 71 -6.139 -11.190 -2.422 494 HH22 ARG 71 HH22 ARG 71 -7.355 -10.840 -1.240 495 H ALA 72 HN ALA 72 1.285 -6.932 -1.298 496 HA ALA 72 HA ALA 72 1.150 -7.098 -4.110 497 HB1 ALA 72 HB3 ALA 72 0.958 -4.927 -3.495 498 HB2 ALA 72 HB1 ALA 72 2.698 -4.942 -3.780 499 HB3 ALA 72 HB2 ALA 72 2.072 -5.098 -2.138 500 H GLU 73 HN GLU 73 3.771 -7.560 -1.824 501 HA GLU 73 HA GLU 73 5.932 -7.468 -3.603 502 HB2 GLU 73 HB2 GLU 73 5.452 -8.681 -0.923 503 HB3 GLU 73 HB1 GLU 73 6.878 -9.195 -1.816 504 HG2 GLU 73 HG2 GLU 73 6.504 -6.298 -1.736 505 HG3 GLU 73 HG1 GLU 73 6.742 -7.042 -0.155 506 H LYS 74 HN LYS 74 3.934 -10.200 -2.546 507 HA LYS 74 HA LYS 74 5.318 -12.120 -4.145 508 HB2 LYS 74 HB2 LYS 74 2.847 -12.090 -2.487 509 HB3 LYS 74 HB1 LYS 74 3.000 -13.360 -3.696 510 HG2 LYS 74 HG2 LYS 74 5.398 -13.600 -2.577 511 HG3 LYS 74 HG1 LYS 74 4.527 -12.920 -1.200 512 HD2 LYS 74 HD2 LYS 74 4.375 -15.280 -1.019 513 HD3 LYS 74 HD1 LYS 74 2.794 -14.710 -1.551 514 HE2 LYS 74 HE2 LYS 74 3.889 -15.140 -3.939 515 HE3 LYS 74 HE1 LYS 74 4.833 -16.300 -3.004 516 HZ1 LYS 74 HZ3 LYS 74 3.028 -17.540 -3.653 517 HZ2 LYS 74 HZ1 LYS 74 1.937 -16.250 -3.523 518 HZ3 LYS 74 HZ2 LYS 74 2.521 -17.010 -2.128 519 H LEU 75 HN LEU 75 2.428 -10.150 -4.577 520 HA LEU 75 HA LEU 75 1.416 -11.360 -6.881 521 HG LEU 75 HG LEU 75 -0.665 -10.690 -7.184 522 HB2 LEU 75 HB2 LEU 75 0.962 -8.958 -5.386 523 HB3 LEU 75 HB1 LEU 75 0.950 -8.589 -7.100 524 HD11 LEU 75 HD11 LEU 75 -0.446 -11.200 -4.803 525 HD12 LEU 75 HD12 LEU 75 -2.106 -10.780 -5.227 526 HD13 LEU 75 HD13 LEU 75 -1.084 -9.609 -4.402 527 HD21 LEU 75 HD23 LEU 75 -1.337 -7.863 -6.421 528 HD22 LEU 75 HD21 LEU 75 -2.570 -9.061 -6.814 529 HD23 LEU 75 HD22 LEU 75 -1.368 -8.604 -8.021 530 H LYS 76 HN LYS 76 3.603 -8.570 -6.592 531 HA LYS 76 HA LYS 76 4.009 -8.257 -9.369 532 HB2 LYS 76 HB2 LYS 76 5.877 -6.815 -8.749 533 HB3 LYS 76 HB1 LYS 76 4.475 -6.475 -7.744 534 HG2 LYS 76 HG2 LYS 76 5.484 -7.905 -5.972 535 HG3 LYS 76 HG1 LYS 76 6.933 -8.029 -6.973 536 HD2 LYS 76 HD2 LYS 76 6.909 -5.463 -6.978 537 HD3 LYS 76 HD1 LYS 76 5.772 -5.604 -5.636 538 HE2 LYS 76 HE2 LYS 76 7.600 -7.228 -4.679 539 HE3 LYS 76 HE1 LYS 76 8.660 -6.334 -5.770 540 HZ1 LYS 76 HZ3 LYS 76 8.254 -5.546 -3.319 541 HZ2 LYS 76 HZ1 LYS 76 6.892 -4.809 -4.001 542 HZ3 LYS 76 HZ2 LYS 76 8.437 -4.426 -4.573 543 H GLU 77 HN GLU 77 5.448 -10.330 -6.984 544 HA GLU 77 HA GLU 77 7.866 -10.970 -8.194 545 HB2 GLU 77 HB2 GLU 77 6.772 -11.720 -5.914 546 HB3 GLU 77 HB1 GLU 77 6.271 -13.110 -6.855 547 HG2 GLU 77 HG2 GLU 77 8.590 -13.580 -7.419 548 HG3 GLU 77 HG1 GLU 77 9.106 -12.160 -6.510 549 H TYR 78 HN TYR 78 4.762 -12.710 -8.505 550 HA TYR 78 HA TYR 78 5.759 -14.380 -10.600 551 HD1 TYR 78 HD1 TYR 78 2.212 -14.050 -12.120 552 HD2 TYR 78 HD2 TYR 78 2.289 -13.480 -7.913 553 HE1 TYR 78 HE1 TYR 78 0.051 -12.880 -12.250 554 HE2 TYR 78 HE2 TYR 78 0.127 -12.310 -8.026 555 HH TYR 78 HH TYR 78 -1.123 -11.000 -10.580 556 HB2 TYR 78 HB2 TYR 78 3.672 -15.430 -10.580 557 HB3 TYR 78 HB1 TYR 78 3.875 -14.900 -8.921 558 H LEU 79 HN LEU 79 3.833 -11.440 -10.430 559 HA LEU 79 HA LEU 79 2.953 -11.350 -13.090 560 HG LEU 79 HG LEU 79 1.325 -10.660 -11.030 561 HB2 LEU 79 HB2 LEU 79 3.460 -9.277 -10.990 562 HB3 LEU 79 HB1 LEU 79 3.052 -8.780 -12.620 563 HD11 LEU 79 HD11 LEU 79 0.266 -8.975 -9.986 564 HD12 LEU 79 HD12 LEU 79 0.484 -7.859 -11.330 565 HD13 LEU 79 HD13 LEU 79 1.806 -8.145 -10.200 566 HD21 LEU 79 HD23 LEU 79 0.589 -8.854 -13.320 567 HD22 LEU 79 HD21 LEU 79 -0.342 -10.180 -12.630 568 HD23 LEU 79 HD22 LEU 79 1.133 -10.510 -13.540 569 H LYS 80 HN LYS 80 5.985 -10.340 -11.610 570 HA LYS 80 HA LYS 80 6.980 -9.127 -14.030 571 HB2 LYS 80 HB2 LYS 80 7.973 -9.553 -11.260 572 HB3 LYS 80 HB1 LYS 80 9.194 -9.410 -12.520 573 HG2 LYS 80 HG2 LYS 80 8.912 -7.240 -11.710 574 HG3 LYS 80 HG1 LYS 80 7.988 -7.276 -13.220 575 HD2 LYS 80 HD2 LYS 80 6.016 -7.949 -11.620 576 HD3 LYS 80 HD1 LYS 80 7.025 -7.184 -10.400 577 HE2 LYS 80 HE2 LYS 80 5.892 -5.339 -11.060 578 HE3 LYS 80 HE1 LYS 80 7.155 -5.299 -12.290 579 HZ1 LYS 80 HZ3 LYS 80 5.352 -5.153 -13.620 580 HZ2 LYS 80 HZ1 LYS 80 4.327 -5.965 -12.550 581 HZ3 LYS 80 HZ2 LYS 80 5.407 -6.840 -13.510 582 H ASN 81 HN ASN 81 7.234 -12.220 -12.420 583 HA ASN 81 HA ASN 81 9.401 -13.230 -13.940 584 HB2 ASN 81 HB2 ASN 81 7.323 -14.420 -12.150 585 HB3 ASN 81 HB1 ASN 81 8.240 -15.500 -13.200 586 HD21 ASN 81 HD21 ASN 81 8.227 -15.290 -10.300 587 HD22 ASN 81 HD22 ASN 81 9.860 -14.970 -9.837 Start of MODEL 2 1 H ASN 10 HN ASN 10 -0.977 13.781 4.083 2 HA ASN 10 HA ASN 10 -0.512 12.087 1.744 3 HB2 ASN 10 HB2 ASN 10 1.577 11.431 3.016 4 HB3 ASN 10 HB1 ASN 10 1.484 13.121 2.532 5 HD21 ASN 10 HD21 ASN 10 2.371 14.327 4.036 6 HD22 ASN 10 HD22 ASN 10 2.142 14.165 5.740 7 H LEU 11 HN LEU 11 -1.446 11.933 5.118 8 HA LEU 11 HA LEU 11 -1.283 9.105 5.370 9 HG LEU 11 HG LEU 11 -3.231 8.429 7.220 10 HB2 LEU 11 HB2 LEU 11 -1.277 10.678 7.285 11 HB3 LEU 11 HB1 LEU 11 -2.956 11.057 6.952 12 HD11 LEU 11 HD11 LEU 11 -1.768 7.621 9.037 13 HD12 LEU 11 HD12 LEU 11 -0.797 9.084 8.872 14 HD13 LEU 11 HD13 LEU 11 -0.893 7.935 7.538 15 HD21 LEU 11 HD23 LEU 11 -4.035 8.815 9.399 16 HD22 LEU 11 HD21 LEU 11 -4.246 10.342 8.543 17 HD23 LEU 11 HD22 LEU 11 -2.904 10.140 9.669 18 H GLN 12 HN GLN 12 -3.933 11.346 4.647 19 HA GLN 12 HA GLN 12 -6.008 9.467 4.581 20 HB2 GLN 12 HB2 GLN 12 -6.130 12.037 4.523 21 HB3 GLN 12 HB1 GLN 12 -5.901 11.881 2.787 22 HG2 GLN 12 HG2 GLN 12 -7.907 10.344 2.794 23 HG3 GLN 12 HG1 GLN 12 -8.186 10.875 4.452 24 HE21 GLN 12 HE21 GLN 12 -9.460 12.560 4.706 25 HE22 GLN 12 HE22 GLN 12 -9.831 13.747 3.508 26 H LYS 13 HN LYS 13 -3.589 10.332 2.213 27 HA LYS 13 HA LYS 13 -4.851 9.024 0.008 28 HB2 LYS 13 HB2 LYS 13 -3.210 10.834 -0.300 29 HB3 LYS 13 HB1 LYS 13 -1.958 9.814 0.394 30 HG2 LYS 13 HG2 LYS 13 -1.676 9.723 -1.943 31 HG3 LYS 13 HG1 LYS 13 -2.405 8.186 -1.473 32 HD2 LYS 13 HD2 LYS 13 -4.378 8.649 -2.509 33 HD3 LYS 13 HD1 LYS 13 -4.248 10.384 -2.217 34 HE2 LYS 13 HE2 LYS 13 -3.128 10.758 -4.141 35 HE3 LYS 13 HE1 LYS 13 -2.233 9.243 -4.036 36 HZ1 LYS 13 HZ3 LYS 13 -5.105 9.371 -4.759 37 HZ2 LYS 13 HZ1 LYS 13 -4.055 8.053 -4.916 38 HZ3 LYS 13 HZ2 LYS 13 -3.865 9.409 -5.909 39 H ALA 14 HN ALA 14 -2.526 8.090 2.466 40 HA ALA 14 HA ALA 14 -1.742 5.636 1.279 41 HB1 ALA 14 HB3 ALA 14 -0.642 5.163 3.310 42 HB2 ALA 14 HB1 ALA 14 -1.715 6.219 4.228 43 HB3 ALA 14 HB2 ALA 14 -0.539 6.912 3.112 44 H ILE 15 HN ILE 15 -4.328 6.554 3.482 45 HA ILE 15 HA ILE 15 -5.149 3.849 3.999 46 HB ILE 15 HB ILE 15 -6.760 6.358 4.457 47 HG12 ILE 15 HG12 ILE 15 -4.964 5.015 6.475 48 HG13 ILE 15 HG11 ILE 15 -4.411 6.351 5.470 49 HG21 ILE 15 HG21 ILE 15 -6.947 3.524 5.370 50 HG22 ILE 15 HG22 ILE 15 -8.214 4.608 4.794 51 HG23 ILE 15 HG23 ILE 15 -7.544 4.816 6.412 52 HD11 ILE 15 HD13 ILE 15 -6.756 7.309 6.516 53 HD12 ILE 15 HD11 ILE 15 -5.134 7.659 7.113 54 HD13 ILE 15 HD12 ILE 15 -6.082 6.364 7.844 55 H ASP 16 HN ASP 16 -6.274 6.497 1.936 56 HA ASP 16 HA ASP 16 -8.603 5.276 0.973 57 HB2 ASP 16 HB2 ASP 16 -7.646 7.716 0.680 58 HB3 ASP 16 HB1 ASP 16 -6.981 7.050 -0.809 59 H LEU 17 HN LEU 17 -5.285 5.236 -0.282 60 HA LEU 17 HA LEU 17 -5.926 3.599 -2.533 61 HG LEU 17 HG LEU 17 -4.786 5.861 -2.980 62 HB2 LEU 17 HB2 LEU 17 -3.358 4.450 -1.229 63 HB3 LEU 17 HB1 LEU 17 -3.364 3.285 -2.539 64 HD11 LEU 17 HD11 LEU 17 -1.906 5.868 -3.612 65 HD12 LEU 17 HD12 LEU 17 -2.330 6.061 -1.911 66 HD13 LEU 17 HD13 LEU 17 -2.966 7.186 -3.111 67 HD21 LEU 17 HD23 LEU 17 -3.292 3.839 -4.603 68 HD22 LEU 17 HD21 LEU 17 -3.573 5.463 -5.229 69 HD23 LEU 17 HD22 LEU 17 -4.940 4.435 -4.801 70 H ALA 18 HN ALA 18 -4.836 3.008 0.744 71 HA ALA 18 HA ALA 18 -4.078 0.306 0.409 72 HB1 ALA 18 HB3 ALA 18 -4.672 2.077 2.711 73 HB2 ALA 18 HB1 ALA 18 -3.244 1.101 2.369 74 HB3 ALA 18 HB2 ALA 18 -4.706 0.336 2.991 75 H SER 19 HN SER 19 -7.109 1.806 1.503 76 HA SER 19 HA SER 19 -8.513 -0.561 2.022 77 HG SER 19 HG SER 19 -10.220 1.182 3.644 78 HB2 SER 19 HB2 SER 19 -9.420 2.216 1.273 79 HB3 SER 19 HB1 SER 19 -10.560 0.915 1.596 80 H LYS 20 HN LYS 20 -8.387 1.434 -0.918 81 HA LYS 20 HA LYS 20 -10.150 -0.099 -2.460 82 HB2 LYS 20 HB2 LYS 20 -7.974 1.850 -3.076 83 HB3 LYS 20 HB1 LYS 20 -8.654 0.902 -4.391 84 HG2 LYS 20 HG2 LYS 20 -10.580 2.230 -2.602 85 HG3 LYS 20 HG1 LYS 20 -9.614 3.280 -3.634 86 HD2 LYS 20 HD2 LYS 20 -11.040 0.884 -4.737 87 HD3 LYS 20 HD1 LYS 20 -11.860 2.439 -4.549 88 HE2 LYS 20 HE2 LYS 20 -10.180 3.499 -5.962 89 HE3 LYS 20 HE1 LYS 20 -9.333 1.962 -6.125 90 HZ1 LYS 20 HZ3 LYS 20 -10.840 1.176 -7.583 91 HZ2 LYS 20 HZ1 LYS 20 -11.090 2.821 -7.894 92 HZ3 LYS 20 HZ2 LYS 20 -12.140 1.987 -6.869 93 H ALA 21 HN ALA 21 -6.658 -0.345 -1.995 94 HA ALA 21 HA ALA 21 -6.125 -2.292 -3.933 95 HB1 ALA 21 HB3 ALA 21 -4.671 -2.118 -1.310 96 HB2 ALA 21 HB1 ALA 21 -4.471 -0.910 -2.579 97 HB3 ALA 21 HB2 ALA 21 -4.042 -2.592 -2.889 98 H ALA 22 HN ALA 22 -6.909 -2.658 -0.483 99 HA ALA 22 HA ALA 22 -6.771 -5.458 -0.396 100 HB1 ALA 22 HB3 ALA 22 -7.717 -5.318 1.725 101 HB2 ALA 22 HB1 ALA 22 -8.669 -3.892 1.312 102 HB3 ALA 22 HB2 ALA 22 -6.925 -3.754 1.531 103 H GLN 23 HN GLN 23 -9.375 -3.272 -1.292 104 HA GLN 23 HA GLN 23 -11.350 -5.354 -1.463 105 HB2 GLN 23 HB2 GLN 23 -11.260 -2.430 -2.025 106 HB3 GLN 23 HB1 GLN 23 -12.510 -3.378 -2.811 107 HG2 GLN 23 HG2 GLN 23 -12.200 -3.866 0.067 108 HG3 GLN 23 HG1 GLN 23 -12.740 -2.245 -0.370 109 HE21 GLN 23 HE21 GLN 23 -13.390 -5.320 -1.976 110 HE22 GLN 23 HE22 GLN 23 -15.110 -5.271 -1.774 111 H GLU 24 HN GLU 24 -9.176 -3.707 -3.665 112 HA GLU 24 HA GLU 24 -10.320 -4.587 -6.084 113 HB2 GLU 24 HB2 GLU 24 -7.567 -3.661 -5.324 114 HB3 GLU 24 HB1 GLU 24 -7.926 -4.208 -6.956 115 HG2 GLU 24 HG2 GLU 24 -9.561 -2.075 -5.640 116 HG3 GLU 24 HG1 GLU 24 -8.042 -1.701 -6.452 117 H ASP 25 HN ASP 25 -7.597 -5.885 -4.198 118 HA ASP 25 HA ASP 25 -7.069 -8.087 -5.845 119 HB2 ASP 25 HB2 ASP 25 -5.711 -7.106 -3.854 120 HB3 ASP 25 HB1 ASP 25 -6.681 -8.196 -2.868 121 H LYS 26 HN LYS 26 -9.029 -7.884 -2.879 122 HA LYS 26 HA LYS 26 -9.873 -10.550 -2.863 123 HB2 LYS 26 HB2 LYS 26 -10.810 -8.032 -1.601 124 HB3 LYS 26 HB1 LYS 26 -11.920 -9.395 -1.611 125 HG2 LYS 26 HG2 LYS 26 -9.148 -9.906 -0.706 126 HG3 LYS 26 HG1 LYS 26 -10.200 -8.973 0.359 127 HD2 LYS 26 HD2 LYS 26 -11.700 -10.730 0.616 128 HD3 LYS 26 HD1 LYS 26 -11.140 -11.540 -0.844 129 HE2 LYS 26 HE2 LYS 26 -9.413 -12.540 0.216 130 HE3 LYS 26 HE1 LYS 26 -9.144 -11.170 1.294 131 HZ1 LYS 26 HZ3 LYS 26 -10.660 -11.940 2.797 132 HZ2 LYS 26 HZ1 LYS 26 -10.100 -13.420 2.187 133 HZ3 LYS 26 HZ2 LYS 26 -11.570 -12.780 1.646 134 H ALA 27 HN ALA 27 -11.070 -7.745 -4.560 135 HA ALA 27 HA ALA 27 -13.540 -8.930 -5.384 136 HB1 ALA 27 HB3 ALA 27 -13.750 -7.000 -6.853 137 HB2 ALA 27 HB1 ALA 27 -12.070 -6.566 -6.545 138 HB3 ALA 27 HB2 ALA 27 -13.250 -6.502 -5.237 139 H GLY 28 HN GLY 28 -10.280 -8.818 -6.662 140 HA2 GLY 28 HA2 GLY 28 -10.020 -10.940 -8.118 141 HA3 GLY 28 HA1 GLY 28 -11.180 -10.110 -9.141 142 H ASN 29 HN ASN 29 -10.000 -7.477 -8.485 143 HA ASN 29 HA ASN 29 -8.070 -7.431 -10.590 144 HB2 ASN 29 HB2 ASN 29 -8.793 -5.207 -8.678 145 HB3 ASN 29 HB1 ASN 29 -8.009 -5.037 -10.240 146 HD21 ASN 29 HD21 ASN 29 -10.050 -3.515 -10.070 147 HD22 ASN 29 HD22 ASN 29 -11.450 -4.146 -10.850 148 H TYR 30 HN TYR 30 -6.095 -8.225 -10.250 149 HA TYR 30 HA TYR 30 -4.808 -7.847 -7.657 150 HD1 TYR 30 HD1 TYR 30 -6.660 -9.737 -8.215 151 HD2 TYR 30 HD2 TYR 30 -2.760 -11.370 -7.737 152 HE1 TYR 30 HE1 TYR 30 -7.576 -11.470 -6.740 153 HE2 TYR 30 HE2 TYR 30 -3.666 -13.110 -6.260 154 HH TYR 30 HH TYR 30 -5.773 -13.310 -4.721 155 HB2 TYR 30 HB2 TYR 30 -4.304 -9.640 -10.000 156 HB3 TYR 30 HB1 TYR 30 -3.014 -9.332 -8.849 157 H GLU 31 HN GLU 31 -4.339 -7.101 -11.070 158 HA GLU 31 HA GLU 31 -1.807 -5.925 -10.890 159 HB2 GLU 31 HB2 GLU 31 -3.591 -6.421 -12.910 160 HB3 GLU 31 HB1 GLU 31 -3.621 -4.665 -12.820 161 HG2 GLU 31 HG2 GLU 31 -0.950 -5.174 -12.740 162 HG3 GLU 31 HG1 GLU 31 -1.531 -6.469 -13.780 163 H GLU 32 HN GLU 32 -5.007 -4.350 -10.890 164 HA GLU 32 HA GLU 32 -4.053 -1.754 -10.390 165 HB2 GLU 32 HB2 GLU 32 -6.423 -2.647 -11.120 166 HB3 GLU 32 HB1 GLU 32 -6.735 -2.618 -9.396 167 HG2 GLU 32 HG2 GLU 32 -7.469 -0.545 -9.982 168 HG3 GLU 32 HG1 GLU 32 -5.791 -0.182 -9.580 169 H ALA 33 HN ALA 33 -5.078 -4.344 -8.227 170 HA ALA 33 HA ALA 33 -4.975 -2.835 -5.838 171 HB1 ALA 33 HB3 ALA 33 -4.605 -5.811 -6.150 172 HB2 ALA 33 HB1 ALA 33 -6.166 -4.993 -6.080 173 HB3 ALA 33 HB2 ALA 33 -5.084 -4.949 -4.688 174 H LEU 34 HN LEU 34 -2.575 -4.694 -7.614 175 HA LEU 34 HA LEU 34 -0.571 -4.787 -5.661 176 HG LEU 34 HG LEU 34 1.841 -4.205 -7.449 177 HB2 LEU 34 HB2 LEU 34 -0.472 -6.124 -7.686 178 HB3 LEU 34 HB1 LEU 34 -0.338 -4.678 -8.668 179 HD11 LEU 34 HD11 LEU 34 2.034 -7.089 -6.825 180 HD12 LEU 34 HD12 LEU 34 1.091 -6.091 -5.718 181 HD13 LEU 34 HD13 LEU 34 2.782 -5.701 -6.034 182 HD21 LEU 34 HD23 LEU 34 2.032 -6.789 -8.928 183 HD22 LEU 34 HD21 LEU 34 3.044 -5.349 -9.042 184 HD23 LEU 34 HD22 LEU 34 1.433 -5.354 -9.760 185 H GLN 35 HN GLN 35 -1.093 -2.428 -8.276 186 HA GLN 35 HA GLN 35 1.072 -0.757 -7.618 187 HB2 GLN 35 HB2 GLN 35 -0.067 0.936 -8.996 188 HB3 GLN 35 HB1 GLN 35 -0.029 -0.634 -9.785 189 HG2 GLN 35 HG2 GLN 35 -2.306 -1.002 -9.425 190 HG3 GLN 35 HG1 GLN 35 -2.406 0.261 -8.198 191 HE21 GLN 35 HE21 GLN 35 -0.888 0.400 -11.370 192 HE22 GLN 35 HE22 GLN 35 -1.906 1.644 -12.010 193 H LEU 36 HN LEU 36 -2.194 -0.966 -6.395 194 HA LEU 36 HA LEU 36 -2.167 1.542 -5.031 195 HG LEU 36 HG LEU 36 -4.071 0.529 -6.843 196 HB2 LEU 36 HB2 LEU 36 -3.897 -0.905 -4.670 197 HB3 LEU 36 HB1 LEU 36 -4.164 0.622 -3.850 198 HD11 LEU 36 HD11 LEU 36 -6.288 -0.382 -5.055 199 HD12 LEU 36 HD12 LEU 36 -5.688 -1.100 -6.550 200 HD13 LEU 36 HD13 LEU 36 -6.642 0.382 -6.605 201 HD21 LEU 36 HD23 LEU 36 -5.833 2.368 -6.364 202 HD22 LEU 36 HD21 LEU 36 -4.125 2.723 -6.106 203 HD23 LEU 36 HD22 LEU 36 -5.164 2.344 -4.732 204 H TYR 37 HN TYR 37 -1.457 -1.795 -4.128 205 HA TYR 37 HA TYR 37 -1.204 -1.423 -1.363 206 HD1 TYR 37 HD2 TYR 37 -2.330 -2.873 -0.451 207 HD2 TYR 37 HD1 TYR 37 -1.225 -5.222 -3.822 208 HE1 TYR 37 HE2 TYR 37 -4.404 -4.174 -0.217 209 HE2 TYR 37 HE1 TYR 37 -3.296 -6.529 -3.598 210 HH TYR 37 HH TYR 37 -5.074 -6.726 -0.993 211 HB2 TYR 37 HB2 TYR 37 0.083 -3.397 -3.249 212 HB3 TYR 37 HB1 TYR 37 0.316 -3.458 -1.505 213 H GLN 38 HN GLN 38 1.167 -1.105 -3.973 214 HA GLN 38 HA GLN 38 3.383 -0.577 -2.283 215 HB2 GLN 38 HB2 GLN 38 2.942 0.139 -5.188 216 HB3 GLN 38 HB1 GLN 38 4.484 0.225 -4.348 217 HG2 GLN 38 HG2 GLN 38 4.425 -2.184 -3.977 218 HG3 GLN 38 HG1 GLN 38 2.870 -2.275 -4.803 219 HE21 GLN 38 HE21 GLN 38 3.528 -3.579 -6.452 220 HE22 GLN 38 HE22 GLN 38 4.649 -3.087 -7.671 221 H HIS 39 HN HIS 39 1.060 1.490 -3.962 222 HA HIS 39 HA HIS 39 2.277 3.959 -3.433 223 HD1 HIS 39 HD1 HIS 39 -1.163 5.245 -6.040 224 HD2 HIS 39 HD2 HIS 39 2.732 3.859 -5.627 225 HE1 HIS 39 HE1 HIS 39 0.006 5.879 -8.174 226 HE2 HIS 39 HE2 HIS 39 2.337 4.954 -7.936 227 HB2 HIS 39 HB2 HIS 39 -0.462 3.055 -4.161 228 HB3 HIS 39 HB1 HIS 39 -0.300 4.681 -3.507 229 H ALA 40 HN ALA 40 -0.110 2.105 -1.580 230 HA ALA 40 HA ALA 40 -0.569 3.982 0.445 231 HB1 ALA 40 HB3 ALA 40 -1.646 1.611 -0.133 232 HB2 ALA 40 HB1 ALA 40 -1.801 2.366 1.453 233 HB3 ALA 40 HB2 ALA 40 -0.586 1.116 1.187 234 H VAL 41 HN VAL 41 1.871 1.433 0.161 235 HA VAL 41 HA VAL 41 2.974 1.747 2.743 236 HB VAL 41 HB VAL 41 4.414 0.770 0.275 237 HG11 VAL 41 HG11 VAL 41 5.918 -0.304 1.720 238 HG12 VAL 41 HG12 VAL 41 4.872 -0.071 3.121 239 HG13 VAL 41 HG13 VAL 41 5.708 1.307 2.406 240 HG21 VAL 41 HG23 VAL 41 3.340 -1.203 0.366 241 HG22 VAL 41 HG21 VAL 41 2.090 -0.287 1.208 242 HG23 VAL 41 HG22 VAL 41 3.282 -1.204 2.129 243 H GLN 42 HN GLN 42 3.590 3.327 -0.332 244 HA GLN 42 HA GLN 42 5.995 4.619 0.384 245 HB2 GLN 42 HB2 GLN 42 3.930 5.002 -1.737 246 HB3 GLN 42 HB1 GLN 42 5.093 6.292 -1.461 247 HG2 GLN 42 HG2 GLN 42 6.792 4.255 -1.600 248 HG3 GLN 42 HG1 GLN 42 5.488 3.582 -2.578 249 HE21 GLN 42 HE21 GLN 42 8.283 4.745 -3.081 250 HE22 GLN 42 HE22 GLN 42 8.037 5.806 -4.422 251 H TYR 43 HN TYR 43 2.619 5.740 0.425 252 HA TYR 43 HA TYR 43 3.240 8.285 1.534 253 HD1 TYR 43 HD1 TYR 43 2.047 9.914 0.038 254 HD2 TYR 43 HD2 TYR 43 0.048 6.230 -0.689 255 HE1 TYR 43 HE1 TYR 43 1.821 10.512 -2.336 256 HE2 TYR 43 HE2 TYR 43 -0.183 6.817 -3.065 257 HH TYR 43 HH TYR 43 -0.160 9.482 -4.313 258 HB2 TYR 43 HB2 TYR 43 0.617 6.777 1.481 259 HB3 TYR 43 HB1 TYR 43 0.804 8.480 1.889 260 H PHE 44 HN PHE 44 2.246 5.187 2.891 261 HA PHE 44 HA PHE 44 1.738 6.028 5.514 262 HD1 PHE 44 HD1 PHE 44 0.328 5.173 6.757 263 HD2 PHE 44 HD2 PHE 44 0.554 2.228 3.694 264 HE1 PHE 44 HE1 PHE 44 -2.097 4.797 6.945 265 HE2 PHE 44 HE2 PHE 44 -1.870 1.847 3.875 266 HZ PHE 44 HZ PHE 44 -3.198 3.133 5.502 267 HB2 PHE 44 HB2 PHE 44 2.437 3.430 4.227 268 HB3 PHE 44 HB1 PHE 44 2.555 3.541 5.980 269 H LEU 45 HN LEU 45 4.699 4.529 4.202 270 HA LEU 45 HA LEU 45 6.254 4.856 6.507 271 HG LEU 45 HG LEU 45 5.923 2.692 4.324 272 HB2 LEU 45 HB2 LEU 45 7.125 4.733 3.619 273 HB3 LEU 45 HB1 LEU 45 8.196 4.562 4.998 274 HD11 LEU 45 HD11 LEU 45 7.486 2.207 2.705 275 HD12 LEU 45 HD12 LEU 45 7.987 1.135 4.013 276 HD13 LEU 45 HD13 LEU 45 8.848 2.649 3.735 277 HD21 LEU 45 HD23 LEU 45 7.864 2.861 6.584 278 HD22 LEU 45 HD21 LEU 45 7.315 1.281 6.025 279 HD23 LEU 45 HD22 LEU 45 6.145 2.467 6.603 280 H HIS 46 HN HIS 46 5.509 7.043 3.887 281 HA HIS 46 HA HIS 46 7.531 8.941 4.276 282 HD1 HIS 46 HD1 HIS 46 7.833 10.585 1.663 283 HD2 HIS 46 HD2 HIS 46 4.771 12.172 3.980 284 HE1 HIS 46 HE1 HIS 46 8.097 13.081 1.508 285 HE2 HIS 46 HE2 HIS 46 6.181 14.021 2.847 286 HB2 HIS 46 HB2 HIS 46 5.998 8.879 2.319 287 HB3 HIS 46 HB1 HIS 46 4.695 9.450 3.355 288 H VAL 47 HN VAL 47 4.430 8.485 5.873 289 HA VAL 47 HA VAL 47 4.587 10.934 7.366 290 HB VAL 47 HB VAL 47 2.831 8.548 7.946 291 HG11 VAL 47 HG11 VAL 47 3.229 10.722 9.484 292 HG12 VAL 47 HG12 VAL 47 1.702 9.843 9.409 293 HG13 VAL 47 HG13 VAL 47 1.926 11.307 8.451 294 HG21 VAL 47 HG23 VAL 47 1.195 10.256 6.666 295 HG22 VAL 47 HG21 VAL 47 2.053 8.942 5.861 296 HG23 VAL 47 HG22 VAL 47 2.703 10.580 5.810 297 H VAL 48 HN VAL 48 5.183 7.508 8.033 298 HA VAL 48 HA VAL 48 5.729 7.811 10.791 299 HB VAL 48 HB VAL 48 6.836 5.666 8.979 300 HG11 VAL 48 HG11 VAL 48 6.026 5.232 11.809 301 HG12 VAL 48 HG12 VAL 48 7.550 6.059 11.484 302 HG13 VAL 48 HG13 VAL 48 7.276 4.433 10.856 303 HG21 VAL 48 HG23 VAL 48 4.094 6.151 9.978 304 HG22 VAL 48 HG21 VAL 48 4.693 4.495 10.071 305 HG23 VAL 48 HG22 VAL 48 4.642 5.328 8.517 306 H LYS 49 HN LYS 49 7.807 7.789 7.923 307 HA LYS 49 HA LYS 49 10.252 7.981 9.357 308 HB2 LYS 49 HB2 LYS 49 9.652 7.396 6.802 309 HB3 LYS 49 HB1 LYS 49 10.101 9.085 6.608 310 HG2 LYS 49 HG2 LYS 49 12.169 8.261 8.087 311 HG3 LYS 49 HG1 LYS 49 11.764 6.743 7.284 312 HD2 LYS 49 HD2 LYS 49 13.093 7.544 5.649 313 HD3 LYS 49 HD1 LYS 49 11.653 8.457 5.195 314 HE2 LYS 49 HE2 LYS 49 13.611 9.905 5.288 315 HE3 LYS 49 HE1 LYS 49 12.434 10.354 6.522 316 HZ1 LYS 49 HZ3 LYS 49 14.581 8.488 7.236 317 HZ2 LYS 49 HZ1 LYS 49 13.776 9.622 8.200 318 HZ3 LYS 49 HZ2 LYS 49 14.954 10.132 7.099 319 H TYR 50 HN TYR 50 8.050 10.343 7.948 320 HA TYR 50 HA TYR 50 9.778 12.571 8.555 321 HD1 TYR 50 HD1 TYR 50 9.047 10.911 6.109 322 HD2 TYR 50 HD2 TYR 50 8.259 15.091 6.036 323 HE1 TYR 50 HE1 TYR 50 10.145 11.073 3.915 324 HE2 TYR 50 HE2 TYR 50 9.354 15.265 3.841 325 HH TYR 50 HH TYR 50 11.382 13.270 2.634 326 HB2 TYR 50 HB2 TYR 50 6.990 12.319 7.449 327 HB3 TYR 50 HB1 TYR 50 7.654 13.885 7.903 328 H GLU 51 HN GLU 51 6.410 11.924 9.533 329 HA GLU 51 HA GLU 51 6.954 12.174 12.312 330 HB2 GLU 51 HB2 GLU 51 5.577 14.292 12.601 331 HB3 GLU 51 HB1 GLU 51 7.204 14.498 11.966 332 HG2 GLU 51 HG2 GLU 51 6.174 14.518 9.666 333 HG3 GLU 51 HG1 GLU 51 4.606 14.624 10.466 334 H ALA 52 HN ALA 52 5.670 10.462 12.738 335 HA ALA 52 HA ALA 52 3.092 10.122 11.525 336 HB1 ALA 52 HB3 ALA 52 4.786 8.606 13.414 337 HB2 ALA 52 HB1 ALA 52 3.895 8.058 11.994 338 HB3 ALA 52 HB2 ALA 52 3.047 8.330 13.515 339 H GLN 53 HN GLN 53 1.339 9.361 13.340 340 HA GLN 53 HA GLN 53 0.584 11.825 14.612 341 HB2 GLN 53 HB2 GLN 53 -0.778 9.142 14.862 342 HB3 GLN 53 HB1 GLN 53 -1.483 10.729 15.137 343 HG2 GLN 53 HG2 GLN 53 -1.381 11.253 12.808 344 HG3 GLN 53 HG1 GLN 53 -0.463 9.786 12.470 345 HE21 GLN 53 HE21 GLN 53 -1.935 8.957 11.034 346 HE22 GLN 53 HE22 GLN 53 -3.493 8.378 11.508 347 H GLY 54 HN GLY 54 1.221 8.519 15.794 348 HA2 GLY 54 HA2 GLY 54 2.543 9.520 18.136 349 HA3 GLY 54 HA1 GLY 54 0.942 8.889 18.491 350 H ASP 55 HN ASP 55 2.515 7.515 19.848 351 HA ASP 55 HA ASP 55 4.122 5.551 18.664 352 HB2 ASP 55 HB2 ASP 55 2.813 5.888 21.324 353 HB3 ASP 55 HB1 ASP 55 3.454 4.300 20.912 354 H LYS 56 HN LYS 56 0.789 5.267 19.903 355 HA LYS 56 HA LYS 56 0.360 2.634 19.050 356 HB2 LYS 56 HB2 LYS 56 -1.383 4.912 19.849 357 HB3 LYS 56 HB1 LYS 56 -2.140 3.564 19.012 358 HG2 LYS 56 HG2 LYS 56 -1.305 2.027 20.711 359 HG3 LYS 56 HG1 LYS 56 -0.526 3.372 21.547 360 HD2 LYS 56 HD2 LYS 56 -2.469 4.122 22.424 361 HD3 LYS 56 HD1 LYS 56 -3.398 3.715 20.979 362 HE2 LYS 56 HE2 LYS 56 -2.408 1.728 23.021 363 HE3 LYS 56 HE1 LYS 56 -4.045 2.379 22.957 364 HZ1 LYS 56 HZ3 LYS 56 -4.325 0.470 21.781 365 HZ2 LYS 56 HZ1 LYS 56 -2.741 0.449 21.186 366 HZ3 LYS 56 HZ2 LYS 56 -3.886 1.491 20.506 367 H ALA 57 HN ALA 57 0.036 5.700 17.380 368 HA ALA 57 HA ALA 57 -1.401 4.741 15.138 369 HB1 ALA 57 HB3 ALA 57 -0.743 7.198 16.014 370 HB2 ALA 57 HB1 ALA 57 -1.281 6.860 14.369 371 HB3 ALA 57 HB2 ALA 57 0.441 7.006 14.721 372 H LYS 58 HN LYS 58 2.063 5.212 15.745 373 HA LYS 58 HA LYS 58 2.987 4.504 13.198 374 HB2 LYS 58 HB2 LYS 58 4.325 4.183 15.890 375 HB3 LYS 58 HB1 LYS 58 5.144 4.022 14.342 376 HG2 LYS 58 HG2 LYS 58 5.087 6.269 13.918 377 HG3 LYS 58 HG1 LYS 58 3.649 6.530 14.907 378 HD2 LYS 58 HD2 LYS 58 5.151 5.921 16.897 379 HD3 LYS 58 HD1 LYS 58 6.498 6.173 15.785 380 HE2 LYS 58 HE2 LYS 58 5.443 8.444 15.296 381 HE3 LYS 58 HE1 LYS 58 4.447 8.158 16.722 382 HZ1 LYS 58 HZ3 LYS 58 6.250 9.343 17.529 383 HZ2 LYS 58 HZ1 LYS 58 7.370 8.525 16.559 384 HZ3 LYS 58 HZ2 LYS 58 6.671 7.744 17.886 385 H GLN 59 HN GLN 59 2.422 2.520 16.083 386 HA GLN 59 HA GLN 59 3.375 0.094 15.060 387 HB2 GLN 59 HB2 GLN 59 1.430 0.823 17.219 388 HB3 GLN 59 HB1 GLN 59 1.632 -0.862 16.761 389 HG2 GLN 59 HG2 GLN 59 4.203 -0.169 17.066 390 HG3 GLN 59 HG1 GLN 59 3.453 0.942 18.211 391 HE21 GLN 59 HE21 GLN 59 4.968 -0.589 19.500 392 HE22 GLN 59 HE22 GLN 59 4.182 -1.943 20.230 393 H SER 60 HN SER 60 0.298 1.721 14.687 394 HA SER 60 HA SER 60 -1.140 -0.476 13.620 395 HG SER 60 HG SER 60 -3.562 0.488 13.090 396 HB2 SER 60 HB2 SER 60 -2.274 1.502 14.529 397 HB3 SER 60 HB1 SER 60 -1.593 2.495 13.240 398 H ILE 61 HN ILE 61 0.672 2.179 12.124 399 HA ILE 61 HA ILE 61 0.109 1.367 9.447 400 HB ILE 61 HB ILE 61 2.407 3.091 10.369 401 HG12 ILE 61 HG12 ILE 61 -0.426 3.897 9.673 402 HG13 ILE 61 HG11 ILE 61 0.292 3.945 11.280 403 HG21 ILE 61 HG21 ILE 61 2.676 2.450 8.097 404 HG22 ILE 61 HG22 ILE 61 2.074 4.108 8.097 405 HG23 ILE 61 HG23 ILE 61 0.979 2.772 7.740 406 HD11 ILE 61 HD13 ILE 61 0.287 5.948 9.299 407 HD12 ILE 61 HD11 ILE 61 1.954 5.412 9.502 408 HD13 ILE 61 HD12 ILE 61 1.037 5.986 10.895 409 H ARG 62 HN ARG 62 2.668 0.700 11.753 410 HA ARG 62 HA ARG 62 4.560 -0.404 10.009 411 HE ARG 62 HE ARG 62 5.628 -1.061 14.415 412 HB2 ARG 62 HB2 ARG 62 3.976 -0.744 12.930 413 HB3 ARG 62 HB1 ARG 62 5.186 -1.758 12.155 414 HG2 ARG 62 HG2 ARG 62 6.003 0.643 11.291 415 HG3 ARG 62 HG1 ARG 62 5.258 1.113 12.820 416 HD2 ARG 62 HD2 ARG 62 7.499 -0.841 12.367 417 HD3 ARG 62 HD1 ARG 62 7.538 0.663 13.286 418 HH11 ARG 62 HH11 ARG 62 9.086 -0.751 14.059 419 HH12 ARG 62 HH12 ARG 62 9.439 -1.612 15.519 420 HH21 ARG 62 HH21 ARG 62 6.091 -2.193 16.337 421 HH22 ARG 62 HH22 ARG 62 7.739 -2.431 16.812 422 H ALA 63 HN ALA 63 1.862 -1.903 11.750 423 HA ALA 63 HA ALA 63 2.412 -4.550 10.879 424 HB1 ALA 63 HB3 ALA 63 0.504 -5.174 12.006 425 HB2 ALA 63 HB1 ALA 63 -0.345 -3.677 11.618 426 HB3 ALA 63 HB2 ALA 63 0.925 -3.679 12.842 427 H LYS 64 HN LYS 64 0.444 -1.922 9.614 428 HA LYS 64 HA LYS 64 -0.822 -3.502 7.594 429 HB2 LYS 64 HB2 LYS 64 -0.556 -0.521 7.986 430 HB3 LYS 64 HB1 LYS 64 -1.451 -1.238 6.653 431 HG2 LYS 64 HG2 LYS 64 -2.697 -2.517 8.555 432 HG3 LYS 64 HG1 LYS 64 -2.090 -1.200 9.562 433 HD2 LYS 64 HD2 LYS 64 -3.471 -0.593 6.980 434 HD3 LYS 64 HD1 LYS 64 -4.421 -0.989 8.414 435 HE2 LYS 64 HE2 LYS 64 -2.828 0.806 9.522 436 HE3 LYS 64 HE1 LYS 64 -2.702 1.374 7.858 437 HZ1 LYS 64 HZ3 LYS 64 -5.234 1.006 9.367 438 HZ2 LYS 64 HZ1 LYS 64 -5.106 1.568 7.775 439 HZ3 LYS 64 HZ2 LYS 64 -4.484 2.489 9.051 440 H CYS 65 HN CYS 65 1.930 -1.276 7.670 441 HA CYS 65 HA CYS 65 2.481 -1.245 4.926 442 HG CYS 65 HG CYS 65 2.941 1.085 5.188 443 HB2 CYS 65 HB2 CYS 65 4.019 -0.654 7.403 444 HB3 CYS 65 HB1 CYS 65 4.938 -0.892 5.921 445 H THR 66 HN THR 66 3.235 -3.580 7.410 446 HA THR 66 HA THR 66 5.080 -5.051 5.739 447 HB THR 66 HB THR 66 5.406 -4.970 8.172 448 HG1 THR 66 HG1 THR 66 4.743 -7.567 7.247 449 HG21 THR 66 HG23 THR 66 3.243 -4.895 9.094 450 HG22 THR 66 HG21 THR 66 3.935 -6.440 9.587 451 HG23 THR 66 HG22 THR 66 2.760 -6.379 8.274 452 H GLU 67 HN GLU 67 1.708 -5.188 6.641 453 HA GLU 67 HA GLU 67 1.235 -7.827 5.661 454 HB2 GLU 67 HB2 GLU 67 -0.221 -6.785 7.341 455 HB3 GLU 67 HB1 GLU 67 -0.704 -5.563 6.173 456 HG2 GLU 67 HG2 GLU 67 -1.863 -7.145 4.856 457 HG3 GLU 67 HG1 GLU 67 -1.155 -8.499 5.735 458 H TYR 68 HN TYR 68 0.632 -4.574 4.362 459 HA TYR 68 HA TYR 68 -0.474 -5.460 1.912 460 HD1 TYR 68 HD2 TYR 68 -2.357 -4.674 2.176 461 HD2 TYR 68 HD1 TYR 68 -0.404 -1.256 3.791 462 HE1 TYR 68 HE2 TYR 68 -4.433 -4.042 3.334 463 HE2 TYR 68 HE1 TYR 68 -2.474 -0.615 4.954 464 HH TYR 68 HH TYR 68 -5.405 -1.686 4.218 465 HB2 TYR 68 HB2 TYR 68 0.850 -2.834 2.623 466 HB3 TYR 68 HB1 TYR 68 -0.065 -3.131 1.148 467 H LEU 69 HN LEU 69 2.801 -4.561 2.895 468 HA LEU 69 HA LEU 69 4.008 -4.642 0.369 469 HG LEU 69 HG LEU 69 4.708 -2.667 2.220 470 HB2 LEU 69 HB2 LEU 69 4.986 -4.943 3.173 471 HB3 LEU 69 HB1 LEU 69 6.073 -5.335 1.855 472 HD11 LEU 69 HD11 LEU 69 7.019 -1.891 2.764 473 HD12 LEU 69 HD12 LEU 69 7.500 -3.584 2.872 474 HD13 LEU 69 HD13 LEU 69 6.291 -2.938 3.981 475 HD21 LEU 69 HD23 LEU 69 5.129 -2.783 -0.042 476 HD22 LEU 69 HD21 LEU 69 6.555 -3.800 0.166 477 HD23 LEU 69 HD22 LEU 69 6.631 -2.082 0.559 478 H ASP 70 HN ASP 70 3.282 -7.188 2.683 479 HA ASP 70 HA ASP 70 4.751 -9.219 1.310 480 HB2 ASP 70 HB2 ASP 70 3.991 -9.162 3.787 481 HB3 ASP 70 HB1 ASP 70 2.454 -9.762 3.173 482 H ARG 71 HN ARG 71 1.405 -8.118 1.306 483 HA ARG 71 HA ARG 71 0.423 -10.240 -0.324 484 HE ARG 71 HE ARG 71 -4.812 -8.634 -1.541 485 HB2 ARG 71 HB2 ARG 71 -0.860 -8.586 1.240 486 HB3 ARG 71 HB1 ARG 71 -0.889 -7.550 -0.180 487 HG2 ARG 71 HG2 ARG 71 -1.948 -9.434 -1.433 488 HG3 ARG 71 HG1 ARG 71 -2.073 -10.300 0.099 489 HD2 ARG 71 HD2 ARG 71 -3.522 -8.652 1.008 490 HD3 ARG 71 HD1 ARG 71 -3.211 -7.547 -0.330 491 HH11 ARG 71 HH11 ARG 71 -3.845 -10.680 1.111 492 HH12 ARG 71 HH12 ARG 71 -5.069 -11.870 0.805 493 HH21 ARG 71 HH21 ARG 71 -6.424 -10.190 -1.945 494 HH22 ARG 71 HH22 ARG 71 -6.533 -11.590 -0.931 495 H ALA 72 HN ALA 72 1.756 -7.057 -0.941 496 HA ALA 72 HA ALA 72 1.081 -7.092 -3.744 497 HB1 ALA 72 HB3 ALA 72 2.102 -4.972 -3.877 498 HB2 ALA 72 HB1 ALA 72 3.055 -5.252 -2.419 499 HB3 ALA 72 HB2 ALA 72 1.311 -5.017 -2.301 500 H GLU 73 HN GLU 73 3.869 -7.848 -1.754 501 HA GLU 73 HA GLU 73 5.820 -7.966 -3.764 502 HB2 GLU 73 HB2 GLU 73 5.522 -9.101 -1.029 503 HB3 GLU 73 HB1 GLU 73 6.760 -9.798 -2.065 504 HG2 GLU 73 HG2 GLU 73 8.044 -7.931 -2.029 505 HG3 GLU 73 HG1 GLU 73 6.663 -6.847 -1.868 506 H LYS 74 HN LYS 74 3.648 -10.460 -2.489 507 HA LYS 74 HA LYS 74 4.653 -12.510 -4.209 508 HB2 LYS 74 HB2 LYS 74 2.204 -12.290 -2.469 509 HB3 LYS 74 HB1 LYS 74 2.510 -13.700 -3.472 510 HG2 LYS 74 HG2 LYS 74 4.708 -12.830 -1.699 511 HG3 LYS 74 HG1 LYS 74 3.281 -13.520 -0.927 512 HD2 LYS 74 HD2 LYS 74 4.296 -14.980 -3.279 513 HD3 LYS 74 HD1 LYS 74 5.352 -14.980 -1.864 514 HE2 LYS 74 HE2 LYS 74 4.103 -16.750 -1.252 515 HE3 LYS 74 HE1 LYS 74 2.975 -15.520 -0.702 516 HZ1 LYS 74 HZ3 LYS 74 2.236 -15.750 -3.241 517 HZ2 LYS 74 HZ1 LYS 74 1.562 -16.670 -1.993 518 HZ3 LYS 74 HZ2 LYS 74 2.782 -17.330 -2.965 519 H LEU 75 HN LEU 75 1.961 -10.250 -4.324 520 HA LEU 75 HA LEU 75 0.551 -11.340 -6.471 521 HG LEU 75 HG LEU 75 -1.456 -10.430 -6.546 522 HB2 LEU 75 HB2 LEU 75 0.555 -8.897 -4.974 523 HB3 LEU 75 HB1 LEU 75 0.390 -8.528 -6.680 524 HD11 LEU 75 HD11 LEU 75 -0.975 -10.890 -4.162 525 HD12 LEU 75 HD12 LEU 75 -2.647 -10.420 -4.459 526 HD13 LEU 75 HD13 LEU 75 -1.509 -9.262 -3.771 527 HD21 LEU 75 HD23 LEU 75 -1.626 -7.522 -5.879 528 HD22 LEU 75 HD21 LEU 75 -3.076 -8.526 -5.883 529 HD23 LEU 75 HD22 LEU 75 -2.112 -8.362 -7.351 530 H LYS 76 HN LYS 76 3.064 -8.821 -6.495 531 HA LYS 76 HA LYS 76 3.168 -8.606 -9.318 532 HB2 LYS 76 HB2 LYS 76 5.202 -7.314 -8.963 533 HB3 LYS 76 HB1 LYS 76 3.963 -6.830 -7.812 534 HG2 LYS 76 HG2 LYS 76 5.052 -8.287 -6.118 535 HG3 LYS 76 HG1 LYS 76 6.348 -8.586 -7.278 536 HD2 LYS 76 HD2 LYS 76 6.316 -5.911 -7.350 537 HD3 LYS 76 HD1 LYS 76 5.721 -6.155 -5.707 538 HE2 LYS 76 HE2 LYS 76 8.056 -5.993 -5.499 539 HE3 LYS 76 HE1 LYS 76 7.699 -7.716 -5.385 540 HZ1 LYS 76 HZ3 LYS 76 8.096 -7.473 -8.000 541 HZ2 LYS 76 HZ1 LYS 76 9.334 -7.841 -6.906 542 HZ3 LYS 76 HZ2 LYS 76 9.127 -6.251 -7.447 543 H GLU 77 HN GLU 77 4.672 -10.730 -7.021 544 HA GLU 77 HA GLU 77 6.887 -11.620 -8.423 545 HB2 GLU 77 HB2 GLU 77 5.863 -12.250 -6.047 546 HB3 GLU 77 HB1 GLU 77 5.257 -13.630 -6.946 547 HG2 GLU 77 HG2 GLU 77 7.627 -14.020 -7.707 548 HG3 GLU 77 HG1 GLU 77 8.114 -12.810 -6.524 549 H TYR 78 HN TYR 78 3.637 -13.110 -8.420 550 HA TYR 78 HA TYR 78 4.252 -14.940 -10.490 551 HD1 TYR 78 HD1 TYR 78 0.761 -13.970 -11.920 552 HD2 TYR 78 HD2 TYR 78 1.089 -13.420 -7.713 553 HE1 TYR 78 HE1 TYR 78 -1.158 -12.430 -11.970 554 HE2 TYR 78 HE2 TYR 78 -0.831 -11.890 -7.759 555 HH TYR 78 HH TYR 78 -2.957 -11.670 -10.230 556 HB2 TYR 78 HB2 TYR 78 1.997 -15.600 -10.400 557 HB3 TYR 78 HB1 TYR 78 2.369 -15.090 -8.764 558 H LEU 79 HN LEU 79 2.867 -11.710 -10.450 559 HA LEU 79 HA LEU 79 1.960 -11.620 -13.110 560 HG LEU 79 HG LEU 79 0.653 -10.570 -10.720 561 HB2 LEU 79 HB2 LEU 79 2.841 -9.486 -11.190 562 HB3 LEU 79 HB1 LEU 79 2.276 -9.108 -12.800 563 HD11 LEU 79 HD11 LEU 79 1.311 -7.961 -10.580 564 HD12 LEU 79 HD12 LEU 79 -0.217 -8.627 -10.000 565 HD13 LEU 79 HD13 LEU 79 -0.129 -7.875 -11.600 566 HD21 LEU 79 HD23 LEU 79 -0.091 -9.433 -13.410 567 HD22 LEU 79 HD21 LEU 79 -1.215 -10.130 -12.250 568 HD23 LEU 79 HD22 LEU 79 0.025 -11.140 -13.000 569 H LYS 80 HN LYS 80 5.109 -11.030 -11.670 570 HA LYS 80 HA LYS 80 6.261 -10.030 -14.110 571 HB2 LYS 80 HB2 LYS 80 6.941 -9.693 -11.540 572 HB3 LYS 80 HB1 LYS 80 8.001 -11.040 -11.920 573 HG2 LYS 80 HG2 LYS 80 9.042 -9.796 -13.690 574 HG3 LYS 80 HG1 LYS 80 7.894 -8.471 -13.480 575 HD2 LYS 80 HD2 LYS 80 8.759 -8.055 -11.250 576 HD3 LYS 80 HD1 LYS 80 9.874 -9.413 -11.410 577 HE2 LYS 80 HE2 LYS 80 11.088 -8.306 -13.140 578 HE3 LYS 80 HE1 LYS 80 9.869 -7.039 -13.260 579 HZ1 LYS 80 HZ3 LYS 80 12.077 -6.692 -11.910 580 HZ2 LYS 80 HZ1 LYS 80 11.181 -7.423 -10.680 581 HZ3 LYS 80 HZ2 LYS 80 10.620 -6.002 -11.400 582 H ASN 81 HN ASN 81 6.013 -13.100 -12.460 583 HA ASN 81 HA ASN 81 7.996 -14.440 -14.020 584 HB2 ASN 81 HB2 ASN 81 5.902 -15.270 -12.050 585 HB3 ASN 81 HB1 ASN 81 6.608 -16.500 -13.100 586 HD21 ASN 81 HD21 ASN 81 7.943 -17.600 -11.840 587 HD22 ASN 81 HD22 ASN 81 9.187 -16.920 -10.850 Start of MODEL 3 1 H ASN 10 HN ASN 10 -2.061 13.820 4.610 2 HA ASN 10 HA ASN 10 -1.688 12.090 2.291 3 HB2 ASN 10 HB2 ASN 10 0.101 12.539 4.690 4 HB3 ASN 10 HB1 ASN 10 0.522 11.622 3.246 5 HD21 ASN 10 HD21 ASN 10 0.060 14.762 4.617 6 HD22 ASN 10 HD22 ASN 10 0.718 15.664 3.300 7 H LEU 11 HN LEU 11 -2.458 11.926 5.700 8 HA LEU 11 HA LEU 11 -2.117 9.122 5.994 9 HG LEU 11 HG LEU 11 -3.962 8.357 7.910 10 HB2 LEU 11 HB2 LEU 11 -2.164 10.733 7.879 11 HB3 LEU 11 HB1 LEU 11 -3.873 10.992 7.586 12 HD11 LEU 11 HD11 LEU 11 -1.812 7.697 8.306 13 HD12 LEU 11 HD12 LEU 11 -2.341 8.015 9.957 14 HD13 LEU 11 HD13 LEU 11 -1.373 9.211 9.096 15 HD21 LEU 11 HD23 LEU 11 -5.001 8.813 9.865 16 HD22 LEU 11 HD21 LEU 11 -4.819 10.477 9.310 17 HD23 LEU 11 HD22 LEU 11 -3.672 9.804 10.468 18 H GLN 12 HN GLN 12 -4.991 11.154 5.472 19 HA GLN 12 HA GLN 12 -6.872 9.081 5.404 20 HB2 GLN 12 HB2 GLN 12 -7.153 11.692 5.437 21 HB3 GLN 12 HB1 GLN 12 -7.202 11.512 3.689 22 HG2 GLN 12 HG2 GLN 12 -9.004 10.005 5.563 23 HG3 GLN 12 HG1 GLN 12 -9.426 11.553 4.832 24 HE21 GLN 12 HE21 GLN 12 -10.470 8.730 4.579 25 HE22 GLN 12 HE22 GLN 12 -10.530 8.454 2.875 26 H LYS 13 HN LYS 13 -4.696 10.316 2.965 27 HA LYS 13 HA LYS 13 -5.953 9.013 0.755 28 HB2 LYS 13 HB2 LYS 13 -4.491 11.002 0.513 29 HB3 LYS 13 HB1 LYS 13 -3.116 10.026 1.010 30 HG2 LYS 13 HG2 LYS 13 -3.072 10.202 -1.360 31 HG3 LYS 13 HG1 LYS 13 -3.543 8.551 -0.954 32 HD2 LYS 13 HD2 LYS 13 -5.609 8.788 -1.830 33 HD3 LYS 13 HD1 LYS 13 -5.764 10.456 -1.275 34 HE2 LYS 13 HE2 LYS 13 -4.133 9.537 -3.640 35 HE3 LYS 13 HE1 LYS 13 -5.723 10.294 -3.726 36 HZ1 LYS 13 HZ3 LYS 13 -4.429 12.098 -2.288 37 HZ2 LYS 13 HZ1 LYS 13 -4.465 12.133 -3.979 38 HZ3 LYS 13 HZ2 LYS 13 -3.125 11.486 -3.176 39 H ALA 14 HN ALA 14 -3.503 8.141 3.088 40 HA ALA 14 HA ALA 14 -2.550 5.842 1.686 41 HB1 ALA 14 HB3 ALA 14 -1.170 5.468 3.503 42 HB2 ALA 14 HB1 ALA 14 -2.325 6.145 4.652 43 HB3 ALA 14 HB2 ALA 14 -1.418 7.212 3.580 44 H ILE 15 HN ILE 15 -5.020 6.428 4.123 45 HA ILE 15 HA ILE 15 -5.561 3.642 4.565 46 HB ILE 15 HB ILE 15 -7.340 5.974 5.267 47 HG12 ILE 15 HG12 ILE 15 -5.282 4.711 7.074 48 HG13 ILE 15 HG11 ILE 15 -4.926 6.133 6.099 49 HG21 ILE 15 HG21 ILE 15 -7.278 3.090 5.929 50 HG22 ILE 15 HG22 ILE 15 -8.650 4.178 5.721 51 HG23 ILE 15 HG23 ILE 15 -7.723 4.204 7.221 52 HD11 ILE 15 HD13 ILE 15 -5.495 7.027 8.148 53 HD12 ILE 15 HD11 ILE 15 -6.782 5.852 8.419 54 HD13 ILE 15 HD12 ILE 15 -7.004 7.146 7.242 55 H ASP 16 HN ASP 16 -7.049 6.258 2.706 56 HA ASP 16 HA ASP 16 -9.341 4.876 1.868 57 HB2 ASP 16 HB2 ASP 16 -8.614 7.404 1.623 58 HB3 ASP 16 HB1 ASP 16 -8.031 6.859 0.053 59 H LEU 17 HN LEU 17 -6.152 5.213 0.345 60 HA LEU 17 HA LEU 17 -6.811 3.629 -1.928 61 HG LEU 17 HG LEU 17 -5.877 5.994 -2.326 62 HB2 LEU 17 HB2 LEU 17 -4.234 4.619 -0.748 63 HB3 LEU 17 HB1 LEU 17 -4.237 3.519 -2.113 64 HD11 LEU 17 HD11 LEU 17 -4.174 7.458 -2.508 65 HD12 LEU 17 HD12 LEU 17 -3.063 6.253 -3.159 66 HD13 LEU 17 HD13 LEU 17 -3.367 6.326 -1.423 67 HD21 LEU 17 HD23 LEU 17 -4.142 4.469 -4.265 68 HD22 LEU 17 HD21 LEU 17 -5.195 5.828 -4.658 69 HD23 LEU 17 HD22 LEU 17 -5.890 4.307 -4.098 70 H ALA 18 HN ALA 18 -5.427 2.961 1.224 71 HA ALA 18 HA ALA 18 -4.504 0.346 0.687 72 HB1 ALA 18 HB3 ALA 18 -4.381 0.076 3.088 73 HB2 ALA 18 HB1 ALA 18 -5.410 1.489 3.327 74 HB3 ALA 18 HB2 ALA 18 -3.798 1.678 2.637 75 H SER 19 HN SER 19 -7.547 1.541 2.085 76 HA SER 19 HA SER 19 -8.713 -0.986 2.509 77 HG SER 19 HG SER 19 -9.778 1.421 4.445 78 HB2 SER 19 HB2 SER 19 -9.689 1.821 2.396 79 HB3 SER 19 HB1 SER 19 -10.890 0.546 2.213 80 H LYS 20 HN LYS 20 -8.812 1.233 -0.241 81 HA LYS 20 HA LYS 20 -10.680 -0.269 -1.758 82 HB2 LYS 20 HB2 LYS 20 -9.728 2.217 -1.994 83 HB3 LYS 20 HB1 LYS 20 -8.668 1.420 -3.148 84 HG2 LYS 20 HG2 LYS 20 -11.610 0.982 -3.303 85 HG3 LYS 20 HG1 LYS 20 -10.900 2.469 -3.940 86 HD2 LYS 20 HD2 LYS 20 -9.548 -0.022 -4.730 87 HD3 LYS 20 HD1 LYS 20 -11.180 0.185 -5.365 88 HE2 LYS 20 HE2 LYS 20 -10.200 2.635 -5.845 89 HE3 LYS 20 HE1 LYS 20 -8.708 1.701 -5.937 90 HZ1 LYS 20 HZ3 LYS 20 -11.070 1.599 -7.665 91 HZ2 LYS 20 HZ1 LYS 20 -10.170 0.181 -7.451 92 HZ3 LYS 20 HZ2 LYS 20 -9.435 1.565 -8.081 93 H ALA 21 HN ALA 21 -7.203 -0.362 -1.409 94 HA ALA 21 HA ALA 21 -6.660 -1.971 -3.682 95 HB1 ALA 21 HB3 ALA 21 -4.945 -1.996 -1.230 96 HB2 ALA 21 HB1 ALA 21 -5.047 -0.553 -2.237 97 HB3 ALA 21 HB2 ALA 21 -4.471 -2.070 -2.927 98 H ALA 22 HN ALA 22 -7.091 -2.739 -0.238 99 HA ALA 22 HA ALA 22 -6.661 -5.499 -0.424 100 HB1 ALA 22 HB3 ALA 22 -6.680 -4.360 1.709 101 HB2 ALA 22 HB1 ALA 22 -7.890 -5.643 1.709 102 HB3 ALA 22 HB2 ALA 22 -8.387 -3.962 1.514 103 H GLN 23 HN GLN 23 -9.517 -3.553 -1.027 104 HA GLN 23 HA GLN 23 -11.300 -5.784 -1.212 105 HB2 GLN 23 HB2 GLN 23 -11.480 -2.852 -1.730 106 HB3 GLN 23 HB1 GLN 23 -12.690 -3.895 -2.454 107 HG2 GLN 23 HG2 GLN 23 -12.880 -4.841 -0.020 108 HG3 GLN 23 HG1 GLN 23 -12.180 -3.284 0.411 109 HE21 GLN 23 HE21 GLN 23 -13.690 -1.947 1.061 110 HE22 GLN 23 HE22 GLN 23 -15.260 -1.751 0.355 111 H GLU 24 HN GLU 24 -9.300 -3.977 -3.429 112 HA GLU 24 HA GLU 24 -10.490 -4.910 -5.830 113 HB2 GLU 24 HB2 GLU 24 -7.845 -3.660 -5.150 114 HB3 GLU 24 HB1 GLU 24 -8.154 -4.272 -6.770 115 HG2 GLU 24 HG2 GLU 24 -10.070 -2.376 -5.489 116 HG3 GLU 24 HG1 GLU 24 -8.589 -1.781 -6.233 117 H ASP 25 HN ASP 25 -7.585 -5.932 -4.046 118 HA ASP 25 HA ASP 25 -6.953 -8.079 -5.775 119 HB2 ASP 25 HB2 ASP 25 -5.334 -7.037 -4.209 120 HB3 ASP 25 HB1 ASP 25 -6.219 -7.743 -2.859 121 H LYS 26 HN LYS 26 -8.895 -7.836 -2.845 122 HA LYS 26 HA LYS 26 -9.294 -10.610 -2.468 123 HB2 LYS 26 HB2 LYS 26 -10.730 -8.147 -1.537 124 HB3 LYS 26 HB1 LYS 26 -11.390 -9.745 -1.204 125 HG2 LYS 26 HG2 LYS 26 -8.560 -9.129 -0.496 126 HG3 LYS 26 HG1 LYS 26 -9.872 -8.565 0.540 127 HD2 LYS 26 HD2 LYS 26 -10.600 -11.140 0.152 128 HD3 LYS 26 HD1 LYS 26 -8.846 -11.280 0.091 129 HE2 LYS 26 HE2 LYS 26 -9.101 -9.700 2.242 130 HE3 LYS 26 HE1 LYS 26 -10.620 -10.580 2.345 131 HZ1 LYS 26 HZ3 LYS 26 -8.586 -11.540 3.517 132 HZ2 LYS 26 HZ1 LYS 26 -8.059 -12.000 1.975 133 HZ3 LYS 26 HZ2 LYS 26 -9.521 -12.600 2.580 134 H ALA 27 HN ALA 27 -10.980 -8.171 -4.349 135 HA ALA 27 HA ALA 27 -13.210 -9.836 -5.014 136 HB1 ALA 27 HB3 ALA 27 -12.940 -7.223 -5.081 137 HB2 ALA 27 HB1 ALA 27 -14.020 -8.052 -6.205 138 HB3 ALA 27 HB2 ALA 27 -12.410 -7.539 -6.736 139 H GLY 28 HN GLY 28 -10.210 -8.917 -6.672 140 HA2 GLY 28 HA2 GLY 28 -9.614 -11.220 -7.926 141 HA3 GLY 28 HA1 GLY 28 -10.850 -10.550 -8.974 142 H ASN 29 HN ASN 29 -10.020 -7.788 -8.439 143 HA ASN 29 HA ASN 29 -8.117 -7.539 -10.520 144 HB2 ASN 29 HB2 ASN 29 -9.067 -5.444 -8.561 145 HB3 ASN 29 HB1 ASN 29 -8.231 -5.135 -10.080 146 HD21 ASN 29 HD21 ASN 29 -10.350 -3.801 -10.060 147 HD22 ASN 29 HD22 ASN 29 -11.670 -4.537 -10.900 148 H TYR 30 HN TYR 30 -6.015 -7.905 -10.340 149 HA TYR 30 HA TYR 30 -4.717 -7.513 -7.743 150 HD1 TYR 30 HD2 TYR 30 -6.316 -9.591 -8.092 151 HD2 TYR 30 HD1 TYR 30 -2.223 -10.730 -7.940 152 HE1 TYR 30 HE2 TYR 30 -6.883 -11.370 -6.501 153 HE2 TYR 30 HE1 TYR 30 -2.777 -12.530 -6.350 154 HH TYR 30 HH TYR 30 -5.288 -12.690 -4.562 155 HB2 TYR 30 HB2 TYR 30 -4.164 -9.274 -10.090 156 HB3 TYR 30 HB1 TYR 30 -2.816 -8.785 -9.072 157 H GLU 31 HN GLU 31 -4.463 -6.684 -11.160 158 HA GLU 31 HA GLU 31 -2.048 -5.272 -11.060 159 HB2 GLU 31 HB2 GLU 31 -4.450 -4.886 -12.850 160 HB3 GLU 31 HB1 GLU 31 -2.888 -4.124 -13.110 161 HG2 GLU 31 HG2 GLU 31 -2.428 -5.888 -14.380 162 HG3 GLU 31 HG1 GLU 31 -2.214 -6.762 -12.870 163 H GLU 32 HN GLU 32 -5.391 -4.127 -10.690 164 HA GLU 32 HA GLU 32 -4.656 -1.416 -10.230 165 HB2 GLU 32 HB2 GLU 32 -6.944 -2.443 -10.960 166 HB3 GLU 32 HB1 GLU 32 -7.223 -2.601 -9.237 167 HG2 GLU 32 HG2 GLU 32 -8.133 -0.560 -9.519 168 HG3 GLU 32 HG1 GLU 32 -6.460 -0.051 -9.292 169 H ALA 33 HN ALA 33 -5.215 -4.196 -8.167 170 HA ALA 33 HA ALA 33 -5.237 -2.749 -5.713 171 HB1 ALA 33 HB3 ALA 33 -4.531 -5.655 -6.028 172 HB2 ALA 33 HB1 ALA 33 -6.189 -5.061 -6.118 173 HB3 ALA 33 HB2 ALA 33 -5.256 -4.849 -4.637 174 H LEU 34 HN LEU 34 -2.745 -4.342 -7.621 175 HA LEU 34 HA LEU 34 -0.676 -4.304 -5.735 176 HG LEU 34 HG LEU 34 1.614 -3.456 -7.691 177 HB2 LEU 34 HB2 LEU 34 -0.527 -5.582 -7.794 178 HB3 LEU 34 HB1 LEU 34 -0.558 -4.109 -8.744 179 HD11 LEU 34 HD11 LEU 34 2.744 -4.769 -6.222 180 HD12 LEU 34 HD12 LEU 34 2.043 -6.263 -6.845 181 HD13 LEU 34 HD13 LEU 34 1.098 -5.223 -5.779 182 HD21 LEU 34 HD23 LEU 34 2.135 -6.094 -8.916 183 HD22 LEU 34 HD21 LEU 34 2.780 -4.503 -9.323 184 HD23 LEU 34 HD22 LEU 34 1.163 -4.962 -9.857 185 H GLN 35 HN GLN 35 -1.354 -1.981 -8.356 186 HA GLN 35 HA GLN 35 0.633 -0.134 -7.661 187 HB2 GLN 35 HB2 GLN 35 -1.970 0.157 -9.150 188 HB3 GLN 35 HB1 GLN 35 -0.872 1.510 -8.918 189 HG2 GLN 35 HG2 GLN 35 0.910 0.037 -9.979 190 HG3 GLN 35 HG1 GLN 35 -0.418 -1.015 -10.460 191 HE21 GLN 35 HE21 GLN 35 0.157 2.491 -10.390 192 HE22 GLN 35 HE22 GLN 35 -0.317 2.774 -12.030 193 H LEU 36 HN LEU 36 -2.604 -0.624 -6.441 194 HA LEU 36 HA LEU 36 -2.785 1.864 -5.052 195 HG LEU 36 HG LEU 36 -4.659 0.883 -6.826 196 HB2 LEU 36 HB2 LEU 36 -4.308 -0.725 -4.810 197 HB3 LEU 36 HB1 LEU 36 -4.668 0.686 -3.834 198 HD11 LEU 36 HD11 LEU 36 -6.684 -0.073 -7.087 199 HD12 LEU 36 HD12 LEU 36 -7.242 0.414 -5.486 200 HD13 LEU 36 HD13 LEU 36 -6.193 -0.992 -5.664 201 HD21 LEU 36 HD23 LEU 36 -6.120 2.733 -6.447 202 HD22 LEU 36 HD21 LEU 36 -4.737 2.910 -5.367 203 HD23 LEU 36 HD22 LEU 36 -6.278 2.329 -4.737 204 H TYR 37 HN TYR 37 -1.774 -1.403 -4.192 205 HA TYR 37 HA TYR 37 -1.559 -1.051 -1.421 206 HD1 TYR 37 HD1 TYR 37 -2.550 -2.576 -0.542 207 HD2 TYR 37 HD2 TYR 37 -1.206 -4.840 -3.883 208 HE1 TYR 37 HE1 TYR 37 -4.487 -4.071 -0.299 209 HE2 TYR 37 HE2 TYR 37 -3.140 -6.341 -3.651 210 HH TYR 37 HH TYR 37 -4.759 -6.909 -1.318 211 HB2 TYR 37 HB2 TYR 37 -0.104 -2.869 -3.340 212 HB3 TYR 37 HB1 TYR 37 0.158 -2.928 -1.600 213 H GLN 38 HN GLN 38 0.682 -0.327 -4.040 214 HA GLN 38 HA GLN 38 2.890 0.312 -2.362 215 HB2 GLN 38 HB2 GLN 38 2.312 1.142 -5.212 216 HB3 GLN 38 HB1 GLN 38 3.860 1.320 -4.396 217 HG2 GLN 38 HG2 GLN 38 4.047 -1.092 -4.185 218 HG3 GLN 38 HG1 GLN 38 2.472 -1.293 -4.951 219 HE21 GLN 38 HE21 GLN 38 2.294 -1.139 -7.139 220 HE22 GLN 38 HE22 GLN 38 3.647 -0.977 -8.201 221 H HIS 39 HN HIS 39 0.307 2.199 -3.856 222 HA HIS 39 HA HIS 39 1.275 4.756 -3.235 223 HD1 HIS 39 HD1 HIS 39 -2.358 5.857 -5.629 224 HD2 HIS 39 HD2 HIS 39 1.641 4.739 -5.481 225 HE1 HIS 39 HE1 HIS 39 -1.347 6.693 -7.774 226 HE2 HIS 39 HE2 HIS 39 1.053 5.930 -7.701 227 HB2 HIS 39 HB2 HIS 39 -1.379 3.600 -3.922 228 HB3 HIS 39 HB1 HIS 39 -1.363 5.202 -3.192 229 H ALA 40 HN ALA 40 -0.824 2.560 -1.409 230 HA ALA 40 HA ALA 40 -1.412 4.271 0.726 231 HB1 ALA 40 HB3 ALA 40 -1.243 1.269 0.579 232 HB2 ALA 40 HB1 ALA 40 -2.683 2.282 0.478 233 HB3 ALA 40 HB2 ALA 40 -1.810 2.140 2.004 234 H VAL 41 HN VAL 41 1.236 1.942 0.308 235 HA VAL 41 HA VAL 41 2.403 2.327 2.846 236 HB VAL 41 HB VAL 41 3.835 1.512 0.315 237 HG11 VAL 41 HG11 VAL 41 5.368 2.025 2.090 238 HG12 VAL 41 HG12 VAL 41 5.287 0.272 1.908 239 HG13 VAL 41 HG13 VAL 41 4.434 1.061 3.235 240 HG21 VAL 41 HG23 VAL 41 1.645 0.246 1.308 241 HG22 VAL 41 HG21 VAL 41 2.942 -0.578 2.174 242 HG23 VAL 41 HG22 VAL 41 2.939 -0.548 0.410 243 H GLN 42 HN GLN 42 2.795 3.982 -0.231 244 HA GLN 42 HA GLN 42 5.100 5.463 0.404 245 HB2 GLN 42 HB2 GLN 42 2.861 5.827 -1.559 246 HB3 GLN 42 HB1 GLN 42 4.067 7.090 -1.354 247 HG2 GLN 42 HG2 GLN 42 5.649 4.912 -1.643 248 HG3 GLN 42 HG1 GLN 42 4.273 4.470 -2.653 249 HE21 GLN 42 HE21 GLN 42 7.069 6.393 -2.355 250 HE22 GLN 42 HE22 GLN 42 6.942 7.226 -3.863 251 H TYR 43 HN TYR 43 1.655 6.327 0.637 252 HA TYR 43 HA TYR 43 2.162 8.867 1.827 253 HD1 TYR 43 HD1 TYR 43 0.937 10.417 0.355 254 HD2 TYR 43 HD2 TYR 43 -1.066 6.730 -0.351 255 HE1 TYR 43 HE1 TYR 43 0.613 11.050 -1.999 256 HE2 TYR 43 HE2 TYR 43 -1.394 7.353 -2.707 257 HH TYR 43 HH TYR 43 -1.503 9.418 -4.068 258 HB2 TYR 43 HB2 TYR 43 -0.378 7.223 1.791 259 HB3 TYR 43 HB1 TYR 43 -0.264 8.924 2.231 260 H PHE 44 HN PHE 44 1.426 5.655 3.063 261 HA PHE 44 HA PHE 44 0.909 6.336 5.730 262 HD1 PHE 44 HD1 PHE 44 -0.447 5.396 6.860 263 HD2 PHE 44 HD2 PHE 44 0.035 2.457 3.821 264 HE1 PHE 44 HE1 PHE 44 -2.832 4.818 7.046 265 HE2 PHE 44 HE2 PHE 44 -2.348 1.874 4.000 266 HZ PHE 44 HZ PHE 44 -3.785 3.055 5.615 267 HB2 PHE 44 HB2 PHE 44 1.796 3.860 4.319 268 HB3 PHE 44 HB1 PHE 44 1.921 3.907 6.075 269 H LEU 45 HN LEU 45 3.953 5.172 4.278 270 HA LEU 45 HA LEU 45 5.532 5.495 6.568 271 HG LEU 45 HG LEU 45 5.347 3.431 4.281 272 HB2 LEU 45 HB2 LEU 45 6.327 5.610 3.658 273 HB3 LEU 45 HB1 LEU 45 7.452 5.473 4.996 274 HD11 LEU 45 HD11 LEU 45 8.251 3.689 3.635 275 HD12 LEU 45 HD12 LEU 45 6.910 3.188 2.604 276 HD13 LEU 45 HD13 LEU 45 7.530 2.092 3.838 277 HD21 LEU 45 HD23 LEU 45 7.274 3.709 6.528 278 HD22 LEU 45 HD21 LEU 45 6.972 2.099 5.875 279 HD23 LEU 45 HD22 LEU 45 5.636 3.055 6.516 280 H HIS 46 HN HIS 46 4.536 7.759 4.101 281 HA HIS 46 HA HIS 46 6.398 9.800 4.582 282 HD1 HIS 46 HD1 HIS 46 6.322 11.733 1.928 283 HD2 HIS 46 HD2 HIS 46 3.421 12.705 4.740 284 HE1 HIS 46 HE1 HIS 46 6.308 14.246 2.038 285 HE2 HIS 46 HE2 HIS 46 4.484 14.812 3.681 286 HB2 HIS 46 HB2 HIS 46 4.900 9.752 2.623 287 HB3 HIS 46 HB1 HIS 46 3.523 10.062 3.675 288 H VAL 47 HN VAL 47 3.382 8.963 6.178 289 HA VAL 47 HA VAL 47 3.278 11.334 7.782 290 HB VAL 47 HB VAL 47 1.874 8.715 8.309 291 HG11 VAL 47 HG11 VAL 47 0.579 9.810 9.817 292 HG12 VAL 47 HG12 VAL 47 0.677 11.344 8.953 293 HG13 VAL 47 HG13 VAL 47 2.026 10.809 9.956 294 HG21 VAL 47 HG23 VAL 47 1.409 10.791 6.264 295 HG22 VAL 47 HG21 VAL 47 -0.014 10.231 7.143 296 HG23 VAL 47 HG22 VAL 47 0.988 9.078 6.261 297 H VAL 48 HN VAL 48 4.050 7.925 8.483 298 HA VAL 48 HA VAL 48 4.756 8.283 11.167 299 HB VAL 48 HB VAL 48 5.956 6.232 9.306 300 HG11 VAL 48 HG11 VAL 48 5.728 4.920 11.568 301 HG12 VAL 48 HG12 VAL 48 5.751 6.540 12.263 302 HG13 VAL 48 HG13 VAL 48 7.104 5.984 11.277 303 HG21 VAL 48 HG23 VAL 48 3.659 5.976 8.955 304 HG22 VAL 48 HG21 VAL 48 3.268 6.341 10.635 305 HG23 VAL 48 HG22 VAL 48 4.029 4.805 10.221 306 H LYS 49 HN LYS 49 6.629 8.630 8.210 307 HA LYS 49 HA LYS 49 9.147 8.925 9.533 308 HB2 LYS 49 HB2 LYS 49 8.683 8.229 7.088 309 HB3 LYS 49 HB1 LYS 49 8.537 9.953 6.774 310 HG2 LYS 49 HG2 LYS 49 10.863 10.045 7.989 311 HG3 LYS 49 HG1 LYS 49 10.934 8.351 7.499 312 HD2 LYS 49 HD2 LYS 49 11.831 9.253 5.623 313 HD3 LYS 49 HD1 LYS 49 10.131 9.437 5.187 314 HE2 LYS 49 HE2 LYS 49 10.144 11.697 5.532 315 HE3 LYS 49 HE1 LYS 49 11.419 11.614 6.747 316 HZ1 LYS 49 HZ3 LYS 49 11.999 10.999 3.921 317 HZ2 LYS 49 HZ1 LYS 49 13.058 11.509 5.138 318 HZ3 LYS 49 HZ2 LYS 49 11.961 12.602 4.459 319 H TYR 50 HN TYR 50 6.703 11.138 8.277 320 HA TYR 50 HA TYR 50 8.264 13.481 8.901 321 HD1 TYR 50 HD1 TYR 50 7.716 11.927 6.438 322 HD2 TYR 50 HD2 TYR 50 6.359 15.958 6.539 323 HE1 TYR 50 HE1 TYR 50 8.745 12.321 4.240 324 HE2 TYR 50 HE2 TYR 50 7.384 16.364 4.341 325 HH TYR 50 HH TYR 50 9.152 15.439 2.934 326 HB2 TYR 50 HB2 TYR 50 5.487 13.014 7.851 327 HB3 TYR 50 HB1 TYR 50 5.988 14.617 8.379 328 H GLU 51 HN GLU 51 4.948 12.691 9.921 329 HA GLU 51 HA GLU 51 5.602 12.902 12.711 330 HB2 GLU 51 HB2 GLU 51 4.023 14.835 13.088 331 HB3 GLU 51 HB1 GLU 51 5.549 15.246 12.318 332 HG2 GLU 51 HG2 GLU 51 4.338 15.112 10.113 333 HG3 GLU 51 HG1 GLU 51 2.842 15.011 11.040 334 H ALA 52 HN ALA 52 4.587 10.981 13.068 335 HA ALA 52 HA ALA 52 2.007 10.362 12.000 336 HB1 ALA 52 HB3 ALA 52 2.285 8.536 13.939 337 HB2 ALA 52 HB1 ALA 52 3.969 9.030 13.763 338 HB3 ALA 52 HB2 ALA 52 3.083 8.406 12.371 339 H GLN 53 HN GLN 53 0.457 9.347 13.875 340 HA GLN 53 HA GLN 53 -0.490 11.678 15.286 341 HB2 GLN 53 HB2 GLN 53 -1.626 8.891 15.462 342 HB3 GLN 53 HB1 GLN 53 -2.451 10.416 15.752 343 HG2 GLN 53 HG2 GLN 53 -1.353 9.636 13.068 344 HG3 GLN 53 HG1 GLN 53 -2.991 9.249 13.590 345 HE21 GLN 53 HE21 GLN 53 -1.371 11.279 11.726 346 HE22 GLN 53 HE22 GLN 53 -2.337 12.704 11.867 347 H GLY 54 HN GLY 54 0.598 8.411 16.197 348 HA2 GLY 54 HA2 GLY 54 1.885 9.353 18.555 349 HA3 GLY 54 HA1 GLY 54 0.341 8.610 18.946 350 H ASP 55 HN ASP 55 1.970 7.229 20.169 351 HA ASP 55 HA ASP 55 3.685 5.450 18.852 352 HB2 ASP 55 HB2 ASP 55 3.198 5.999 21.444 353 HB3 ASP 55 HB1 ASP 55 2.321 4.479 21.300 354 H LYS 56 HN LYS 56 0.362 4.922 20.029 355 HA LYS 56 HA LYS 56 0.076 2.319 19.038 356 HB2 LYS 56 HB2 LYS 56 -1.997 4.452 19.566 357 HB3 LYS 56 HB1 LYS 56 -2.385 2.778 19.192 358 HG2 LYS 56 HG2 LYS 56 -1.767 2.030 21.239 359 HG3 LYS 56 HG1 LYS 56 -0.509 3.253 21.429 360 HD2 LYS 56 HD2 LYS 56 -2.109 3.902 22.986 361 HD3 LYS 56 HD1 LYS 56 -2.479 4.919 21.592 362 HE2 LYS 56 HE2 LYS 56 -4.033 2.833 21.005 363 HE3 LYS 56 HE1 LYS 56 -3.998 2.656 22.759 364 HZ1 LYS 56 HZ3 LYS 56 -4.584 5.284 21.571 365 HZ2 LYS 56 HZ1 LYS 56 -5.054 4.658 23.071 366 HZ3 LYS 56 HZ2 LYS 56 -5.805 4.116 21.656 367 H ALA 57 HN ALA 57 -0.285 5.436 17.502 368 HA ALA 57 HA ALA 57 -1.620 4.462 15.168 369 HB1 ALA 57 HB3 ALA 57 -0.062 6.962 14.979 370 HB2 ALA 57 HB1 ALA 57 -1.322 6.917 16.212 371 HB3 ALA 57 HB2 ALA 57 -1.731 6.625 14.521 372 H LYS 58 HN LYS 58 1.736 5.334 15.931 373 HA LYS 58 HA LYS 58 2.817 4.899 13.385 374 HB2 LYS 58 HB2 LYS 58 4.069 4.663 16.123 375 HB3 LYS 58 HB1 LYS 58 4.984 4.575 14.624 376 HG2 LYS 58 HG2 LYS 58 4.576 6.815 14.106 377 HG3 LYS 58 HG1 LYS 58 3.240 6.929 15.253 378 HD2 LYS 58 HD2 LYS 58 4.678 6.986 17.099 379 HD3 LYS 58 HD1 LYS 58 6.038 6.350 16.171 380 HE2 LYS 58 HE2 LYS 58 4.783 9.020 15.589 381 HE3 LYS 58 HE1 LYS 58 6.101 8.824 16.743 382 HZ1 LYS 58 HZ3 LYS 58 7.574 8.224 15.085 383 HZ2 LYS 58 HZ1 LYS 58 6.653 9.422 14.324 384 HZ3 LYS 58 HZ2 LYS 58 6.357 7.790 13.994 385 H GLN 59 HN GLN 59 2.652 2.706 16.187 386 HA GLN 59 HA GLN 59 3.838 0.492 14.948 387 HB2 GLN 59 HB2 GLN 59 2.708 -0.840 16.725 388 HB3 GLN 59 HB1 GLN 59 3.588 0.551 17.341 389 HG2 GLN 59 HG2 GLN 59 1.698 0.848 18.521 390 HG3 GLN 59 HG1 GLN 59 1.178 1.666 17.049 391 HE21 GLN 59 HE21 GLN 59 -0.453 0.389 19.053 392 HE22 GLN 59 HE22 GLN 59 -1.336 -0.862 18.254 393 H SER 60 HN SER 60 0.549 1.688 14.908 394 HA SER 60 HA SER 60 -0.685 -0.620 13.845 395 HG SER 60 HG SER 60 -3.437 0.673 14.580 396 HB2 SER 60 HB2 SER 60 -1.411 2.241 14.165 397 HB3 SER 60 HB1 SER 60 -2.302 1.335 12.942 398 H ILE 61 HN ILE 61 0.660 2.282 12.310 399 HA ILE 61 HA ILE 61 0.025 1.452 9.656 400 HB ILE 61 HB ILE 61 2.117 3.462 10.491 401 HG12 ILE 61 HG12 ILE 61 -0.727 4.101 9.733 402 HG13 ILE 61 HG11 ILE 61 -0.273 3.786 11.405 403 HG21 ILE 61 HG21 ILE 61 2.255 2.748 8.159 404 HG22 ILE 61 HG22 ILE 61 1.725 4.426 8.283 405 HG23 ILE 61 HG23 ILE 61 0.554 3.155 7.930 406 HD11 ILE 61 HD13 ILE 61 0.917 5.932 9.665 407 HD12 ILE 61 HD11 ILE 61 1.262 5.648 11.371 408 HD13 ILE 61 HD12 ILE 61 -0.345 6.176 10.872 409 H ARG 62 HN ARG 62 2.805 1.092 11.766 410 HA ARG 62 HA ARG 62 4.709 0.295 9.879 411 HE ARG 62 HE ARG 62 5.740 -0.035 14.341 412 HB2 ARG 62 HB2 ARG 62 4.356 -0.073 12.812 413 HB3 ARG 62 HB1 ARG 62 5.533 -1.097 12.000 414 HG2 ARG 62 HG2 ARG 62 6.420 1.128 11.015 415 HG3 ARG 62 HG1 ARG 62 5.530 1.868 12.347 416 HD2 ARG 62 HD2 ARG 62 7.754 -0.156 12.518 417 HD3 ARG 62 HD1 ARG 62 7.780 1.519 13.069 418 HH11 ARG 62 HH11 ARG 62 9.134 0.777 14.412 419 HH12 ARG 62 HH12 ARG 62 9.311 0.425 16.098 420 HH21 ARG 62 HH21 ARG 62 5.971 -0.499 16.559 421 HH22 ARG 62 HH22 ARG 62 7.516 -0.300 17.317 422 H ALA 63 HN ALA 63 2.482 -1.675 11.833 423 HA ALA 63 HA ALA 63 3.279 -4.154 10.718 424 HB1 ALA 63 HB3 ALA 63 1.022 -3.218 12.412 425 HB2 ALA 63 HB1 ALA 63 2.222 -4.473 12.718 426 HB3 ALA 63 HB2 ALA 63 0.879 -4.787 11.619 427 H LYS 64 HN LYS 64 0.940 -1.733 9.782 428 HA LYS 64 HA LYS 64 -0.426 -3.389 7.884 429 HB2 LYS 64 HB2 LYS 64 -0.385 -0.402 8.323 430 HB3 LYS 64 HB1 LYS 64 -1.377 -1.186 7.101 431 HG2 LYS 64 HG2 LYS 64 -2.806 -2.090 8.638 432 HG3 LYS 64 HG1 LYS 64 -1.587 -2.127 9.913 433 HD2 LYS 64 HD2 LYS 64 -3.014 -0.423 10.597 434 HD3 LYS 64 HD1 LYS 64 -1.710 0.450 9.790 435 HE2 LYS 64 HE2 LYS 64 -3.038 1.135 8.099 436 HE3 LYS 64 HE1 LYS 64 -3.945 -0.377 8.060 437 HZ1 LYS 64 HZ3 LYS 64 -4.991 0.432 10.206 438 HZ2 LYS 64 HZ1 LYS 64 -5.455 1.230 8.788 439 HZ3 LYS 64 HZ2 LYS 64 -4.344 1.951 9.840 440 H CYS 65 HN CYS 65 2.091 -0.904 7.704 441 HA CYS 65 HA CYS 65 2.307 -0.776 4.916 442 HG CYS 65 HG CYS 65 3.354 2.172 6.552 443 HB2 CYS 65 HB2 CYS 65 4.055 -0.064 7.214 444 HB3 CYS 65 HB1 CYS 65 4.820 -0.194 5.634 445 H THR 66 HN THR 66 3.572 -3.062 7.231 446 HA THR 66 HA THR 66 5.351 -4.309 5.326 447 HB THR 66 HB THR 66 5.987 -4.277 7.671 448 HG1 THR 66 HG1 THR 66 6.445 -6.167 6.303 449 HG21 THR 66 HG23 THR 66 3.465 -5.839 8.140 450 HG22 THR 66 HG21 THR 66 3.912 -4.278 8.827 451 HG23 THR 66 HG22 THR 66 4.792 -5.732 9.297 452 H GLU 67 HN GLU 67 2.127 -4.799 6.579 453 HA GLU 67 HA GLU 67 1.798 -7.455 5.607 454 HB2 GLU 67 HB2 GLU 67 0.410 -6.541 7.414 455 HB3 GLU 67 HB1 GLU 67 -0.281 -5.371 6.299 456 HG2 GLU 67 HG2 GLU 67 -1.353 -7.098 5.044 457 HG3 GLU 67 HG1 GLU 67 -0.522 -8.349 5.966 458 H TYR 68 HN TYR 68 0.783 -4.273 4.389 459 HA TYR 68 HA TYR 68 -0.446 -5.257 2.039 460 HD1 TYR 68 HD1 TYR 68 -2.388 -4.599 2.463 461 HD2 TYR 68 HD2 TYR 68 -0.525 -1.090 3.984 462 HE1 TYR 68 HE1 TYR 68 -4.378 -4.145 3.834 463 HE2 TYR 68 HE2 TYR 68 -2.509 -0.626 5.360 464 HH TYR 68 HH TYR 68 -5.010 -2.922 5.815 465 HB2 TYR 68 HB2 TYR 68 0.703 -2.521 2.630 466 HB3 TYR 68 HB1 TYR 68 -0.332 -2.907 1.259 467 H LEU 69 HN LEU 69 2.802 -4.019 2.713 468 HA LEU 69 HA LEU 69 3.773 -4.036 0.086 469 HG LEU 69 HG LEU 69 4.413 -1.955 1.640 470 HB2 LEU 69 HB2 LEU 69 5.016 -4.133 2.793 471 HB3 LEU 69 HB1 LEU 69 6.025 -4.490 1.404 472 HD11 LEU 69 HD11 LEU 69 6.920 -1.121 2.038 473 HD12 LEU 69 HD12 LEU 69 7.019 -2.699 2.819 474 HD13 LEU 69 HD13 LEU 69 5.821 -1.522 3.358 475 HD21 LEU 69 HD23 LEU 69 6.790 -2.674 -0.071 476 HD22 LEU 69 HD21 LEU 69 5.897 -1.153 -0.094 477 HD23 LEU 69 HD22 LEU 69 5.114 -2.643 -0.619 478 H ASP 70 HN ASP 70 3.486 -6.588 2.476 479 HA ASP 70 HA ASP 70 5.104 -8.501 1.169 480 HB2 ASP 70 HB2 ASP 70 4.304 -8.579 3.572 481 HB3 ASP 70 HB1 ASP 70 2.740 -9.099 2.952 482 H ARG 71 HN ARG 71 1.637 -7.802 1.033 483 HA ARG 71 HA ARG 71 1.051 -9.953 -0.760 484 HE ARG 71 HE ARG 71 -3.144 -10.000 -1.741 485 HB2 ARG 71 HB2 ARG 71 -0.445 -7.656 0.398 486 HB3 ARG 71 HB1 ARG 71 -1.080 -8.377 -1.074 487 HG2 ARG 71 HG2 ARG 71 -0.355 -10.150 1.201 488 HG3 ARG 71 HG1 ARG 71 -1.850 -9.219 1.279 489 HD2 ARG 71 HD2 ARG 71 -1.154 -10.900 -1.106 490 HD3 ARG 71 HD1 ARG 71 -1.971 -11.580 0.303 491 HH11 ARG 71 HH11 ARG 71 -3.264 -10.570 1.700 492 HH12 ARG 71 HH12 ARG 71 -4.919 -10.090 1.850 493 HH21 ARG 71 HH21 ARG 71 -5.322 -9.369 -1.546 494 HH22 ARG 71 HH22 ARG 71 -6.088 -9.407 0.007 495 H ALA 72 HN ALA 72 1.807 -6.539 -1.101 496 HA ALA 72 HA ALA 72 1.209 -6.452 -3.909 497 HB1 ALA 72 HB3 ALA 72 1.726 -4.213 -3.820 498 HB2 ALA 72 HB1 ALA 72 2.965 -4.437 -2.584 499 HB3 ALA 72 HB2 ALA 72 1.258 -4.519 -2.147 500 H GLU 73 HN GLU 73 4.096 -6.861 -1.932 501 HA GLU 73 HA GLU 73 6.026 -6.592 -3.943 502 HB2 GLU 73 HB2 GLU 73 5.950 -7.991 -1.297 503 HB3 GLU 73 HB1 GLU 73 7.324 -8.237 -2.366 504 HG2 GLU 73 HG2 GLU 73 6.586 -5.433 -1.995 505 HG3 GLU 73 HG1 GLU 73 7.098 -6.252 -0.520 506 H LYS 74 HN LYS 74 4.338 -9.481 -2.749 507 HA LYS 74 HA LYS 74 5.629 -11.260 -4.559 508 HB2 LYS 74 HB2 LYS 74 4.366 -11.730 -2.313 509 HB3 LYS 74 HB1 LYS 74 2.951 -11.840 -3.350 510 HG2 LYS 74 HG2 LYS 74 4.304 -13.520 -4.721 511 HG3 LYS 74 HG1 LYS 74 5.397 -13.570 -3.336 512 HD2 LYS 74 HD2 LYS 74 3.194 -13.970 -1.986 513 HD3 LYS 74 HD1 LYS 74 2.558 -14.480 -3.553 514 HE2 LYS 74 HE2 LYS 74 3.341 -16.450 -2.594 515 HE3 LYS 74 HE1 LYS 74 4.631 -15.970 -3.695 516 HZ1 LYS 74 HZ3 LYS 74 4.570 -15.830 -0.749 517 HZ2 LYS 74 HZ1 LYS 74 5.620 -14.840 -1.640 518 HZ3 LYS 74 HZ2 LYS 74 5.737 -16.530 -1.752 519 H LEU 75 HN LEU 75 2.669 -9.380 -4.638 520 HA LEU 75 HA LEU 75 1.441 -10.610 -6.836 521 HG LEU 75 HG LEU 75 -0.674 -10.060 -6.877 522 HB2 LEU 75 HB2 LEU 75 1.037 -8.278 -5.226 523 HB3 LEU 75 HB1 LEU 75 0.832 -7.854 -6.915 524 HD11 LEU 75 HD11 LEU 75 -1.923 -10.220 -4.812 525 HD12 LEU 75 HD12 LEU 75 -0.941 -8.956 -4.086 526 HD13 LEU 75 HD13 LEU 75 -0.209 -10.500 -4.504 527 HD21 LEU 75 HD23 LEU 75 -2.614 -8.512 -6.359 528 HD22 LEU 75 HD21 LEU 75 -1.543 -8.019 -7.670 529 HD23 LEU 75 HD22 LEU 75 -1.408 -7.256 -6.086 530 H LYS 76 HN LYS 76 3.513 -7.722 -6.709 531 HA LYS 76 HA LYS 76 3.598 -7.359 -9.517 532 HB2 LYS 76 HB2 LYS 76 5.392 -5.772 -9.073 533 HB3 LYS 76 HB1 LYS 76 4.083 -5.552 -7.920 534 HG2 LYS 76 HG2 LYS 76 5.355 -6.804 -6.244 535 HG3 LYS 76 HG1 LYS 76 6.672 -7.000 -7.402 536 HD2 LYS 76 HD2 LYS 76 6.432 -4.353 -7.523 537 HD3 LYS 76 HD1 LYS 76 5.804 -4.597 -5.891 538 HE2 LYS 76 HE2 LYS 76 8.004 -6.164 -5.816 539 HE3 LYS 76 HE1 LYS 76 8.537 -4.916 -6.942 540 HZ1 LYS 76 HZ3 LYS 76 8.049 -3.238 -5.317 541 HZ2 LYS 76 HZ1 LYS 76 9.055 -4.400 -4.610 542 HZ3 LYS 76 HZ2 LYS 76 7.402 -4.380 -4.251 543 H GLU 77 HN GLU 77 5.418 -9.323 -7.300 544 HA GLU 77 HA GLU 77 7.747 -9.772 -8.749 545 HB2 GLU 77 HB2 GLU 77 6.230 -11.270 -6.682 546 HB3 GLU 77 HB1 GLU 77 7.441 -12.160 -7.589 547 HG2 GLU 77 HG2 GLU 77 9.172 -10.690 -6.878 548 HG3 GLU 77 HG1 GLU 77 8.006 -9.584 -6.160 549 H TYR 78 HN TYR 78 4.736 -11.690 -8.797 550 HA TYR 78 HA TYR 78 5.654 -13.300 -10.970 551 HD1 TYR 78 HD2 TYR 78 1.977 -13.230 -12.170 552 HD2 TYR 78 HD1 TYR 78 2.379 -12.630 -7.985 553 HE1 TYR 78 HE2 TYR 78 -0.262 -12.210 -12.110 554 HE2 TYR 78 HE1 TYR 78 0.139 -11.610 -7.911 555 HH TYR 78 HH TYR 78 -2.049 -11.790 -10.520 556 HB2 TYR 78 HB2 TYR 78 3.658 -14.500 -10.760 557 HB3 TYR 78 HB1 TYR 78 3.968 -13.940 -9.127 558 H LEU 79 HN LEU 79 3.559 -10.500 -10.620 559 HA LEU 79 HA LEU 79 2.436 -10.470 -13.180 560 HG LEU 79 HG LEU 79 0.940 -9.896 -11.020 561 HB2 LEU 79 HB2 LEU 79 2.988 -8.373 -11.120 562 HB3 LEU 79 HB1 LEU 79 2.420 -7.893 -12.710 563 HD11 LEU 79 HD11 LEU 79 -0.549 -7.678 -10.780 564 HD12 LEU 79 HD12 LEU 79 1.060 -6.958 -10.790 565 HD13 LEU 79 HD13 LEU 79 0.650 -8.175 -9.591 566 HD21 LEU 79 HD23 LEU 79 -0.047 -8.084 -13.210 567 HD22 LEU 79 HD21 LEU 79 -0.893 -9.437 -12.460 568 HD23 LEU 79 HD22 LEU 79 0.510 -9.734 -13.480 569 H LYS 80 HN LYS 80 5.447 -9.055 -11.960 570 HA LYS 80 HA LYS 80 6.152 -7.842 -14.450 571 HB2 LYS 80 HB2 LYS 80 6.993 -7.476 -11.920 572 HB3 LYS 80 HB1 LYS 80 8.285 -8.515 -12.500 573 HG2 LYS 80 HG2 LYS 80 7.457 -6.104 -14.060 574 HG3 LYS 80 HG1 LYS 80 8.544 -5.956 -12.680 575 HD2 LYS 80 HD2 LYS 80 10.216 -7.207 -13.700 576 HD3 LYS 80 HD1 LYS 80 9.094 -7.959 -14.840 577 HE2 LYS 80 HE2 LYS 80 8.818 -5.359 -15.510 578 HE3 LYS 80 HE1 LYS 80 10.499 -5.373 -14.980 579 HZ1 LYS 80 HZ3 LYS 80 9.894 -5.914 -17.440 580 HZ2 LYS 80 HZ1 LYS 80 9.567 -7.459 -16.830 581 HZ3 LYS 80 HZ2 LYS 80 11.111 -6.790 -16.650 582 H ASN 81 HN ASN 81 6.909 -10.890 -12.860 583 HA ASN 81 HA ASN 81 8.952 -11.750 -14.580 584 HB2 ASN 81 HB2 ASN 81 7.927 -12.750 -12.330 585 HB3 ASN 81 HB1 ASN 81 7.060 -13.770 -13.480 586 HD21 ASN 81 HD21 ASN 81 9.444 -14.010 -11.500 587 HD22 ASN 81 HD22 ASN 81 10.591 -14.930 -12.400 Start of MODEL 4 1 H ASN 10 HN ASN 10 -3.521 13.665 5.450 2 HA ASN 10 HA ASN 10 -3.072 12.177 2.997 3 HB2 ASN 10 HB2 ASN 10 -1.218 12.628 5.346 4 HB3 ASN 10 HB1 ASN 10 -0.767 11.971 3.775 5 HD21 ASN 10 HD21 ASN 10 -0.456 13.327 2.070 6 HD22 ASN 10 HD22 ASN 10 -0.466 15.049 2.206 7 H LEU 11 HN LEU 11 -3.489 11.578 6.436 8 HA LEU 11 HA LEU 11 -2.845 8.797 6.299 9 HG LEU 11 HG LEU 11 -4.412 7.695 8.374 10 HB2 LEU 11 HB2 LEU 11 -2.633 10.086 8.373 11 HB3 LEU 11 HB1 LEU 11 -4.366 10.350 8.393 12 HD11 LEU 11 HD11 LEU 11 -2.568 6.874 9.855 13 HD12 LEU 11 HD12 LEU 11 -1.732 8.397 9.552 14 HD13 LEU 11 HD13 LEU 11 -2.071 7.296 8.217 15 HD21 LEU 11 HD23 LEU 11 -5.454 9.049 10.070 16 HD22 LEU 11 HD21 LEU 11 -3.886 9.431 10.782 17 HD23 LEU 11 HD22 LEU 11 -4.505 7.781 10.847 18 H GLN 12 HN GLN 12 -5.803 10.691 6.123 19 HA GLN 12 HA GLN 12 -7.659 8.606 6.353 20 HB2 GLN 12 HB2 GLN 12 -8.156 11.072 6.410 21 HB3 GLN 12 HB1 GLN 12 -7.977 11.088 4.661 22 HG2 GLN 12 HG2 GLN 12 -9.840 9.591 4.406 23 HG3 GLN 12 HG1 GLN 12 -9.971 9.400 6.153 24 HE21 GLN 12 HE21 GLN 12 -12.160 10.143 4.798 25 HE22 GLN 12 HE22 GLN 12 -12.540 11.802 5.098 26 H LYS 13 HN LYS 13 -6.070 9.979 3.493 27 HA LYS 13 HA LYS 13 -7.400 8.317 1.619 28 HB2 LYS 13 HB2 LYS 13 -5.896 10.530 1.380 29 HB3 LYS 13 HB1 LYS 13 -4.682 9.322 0.983 30 HG2 LYS 13 HG2 LYS 13 -6.687 8.462 -0.572 31 HG3 LYS 13 HG1 LYS 13 -7.064 10.186 -0.522 32 HD2 LYS 13 HD2 LYS 13 -4.417 10.308 -0.973 33 HD3 LYS 13 HD1 LYS 13 -4.782 8.771 -1.758 34 HE2 LYS 13 HE2 LYS 13 -6.802 10.299 -2.698 35 HE3 LYS 13 HE1 LYS 13 -5.542 11.517 -2.510 36 HZ1 LYS 13 HZ3 LYS 13 -5.078 8.964 -3.937 37 HZ2 LYS 13 HZ1 LYS 13 -4.133 10.367 -3.973 38 HZ3 LYS 13 HZ2 LYS 13 -5.649 10.349 -4.722 39 H ALA 14 HN ALA 14 -4.464 7.984 3.504 40 HA ALA 14 HA ALA 14 -3.295 5.835 2.142 41 HB1 ALA 14 HB3 ALA 14 -2.237 7.238 3.938 42 HB2 ALA 14 HB1 ALA 14 -1.956 5.502 4.076 43 HB3 ALA 14 HB2 ALA 14 -3.146 6.289 5.114 44 H ILE 15 HN ILE 15 -5.748 5.921 4.679 45 HA ILE 15 HA ILE 15 -5.847 3.064 4.965 46 HB ILE 15 HB ILE 15 -7.918 5.057 5.880 47 HG12 ILE 15 HG12 ILE 15 -5.614 4.018 7.527 48 HG13 ILE 15 HG11 ILE 15 -5.516 5.529 6.627 49 HG21 ILE 15 HG21 ILE 15 -8.572 3.393 7.452 50 HG22 ILE 15 HG22 ILE 15 -7.194 2.373 7.037 51 HG23 ILE 15 HG23 ILE 15 -8.493 2.618 5.869 52 HD11 ILE 15 HD13 ILE 15 -7.170 4.850 9.011 53 HD12 ILE 15 HD11 ILE 15 -7.686 6.129 7.912 54 HD13 ILE 15 HD12 ILE 15 -6.125 6.241 8.725 55 H ASP 16 HN ASP 16 -7.537 5.484 3.095 56 HA ASP 16 HA ASP 16 -9.734 3.849 2.331 57 HB2 ASP 16 HB2 ASP 16 -9.366 6.465 2.189 58 HB3 ASP 16 HB1 ASP 16 -8.772 6.070 0.579 59 H LEU 17 HN LEU 17 -6.648 4.669 0.789 60 HA LEU 17 HA LEU 17 -7.123 3.187 -1.582 61 HG LEU 17 HG LEU 17 -6.294 5.815 -1.282 62 HB2 LEU 17 HB2 LEU 17 -4.543 4.098 -0.308 63 HB3 LEU 17 HB1 LEU 17 -4.661 3.397 -1.911 64 HD11 LEU 17 HD11 LEU 17 -3.345 5.690 -1.417 65 HD12 LEU 17 HD12 LEU 17 -4.400 6.846 -0.602 66 HD13 LEU 17 HD13 LEU 17 -4.130 6.972 -2.340 67 HD21 LEU 17 HD23 LEU 17 -6.335 4.406 -3.442 68 HD22 LEU 17 HD21 LEU 17 -4.795 5.188 -3.797 69 HD23 LEU 17 HD22 LEU 17 -6.249 6.162 -3.578 70 H ALA 18 HN ALA 18 -5.503 2.436 1.469 71 HA ALA 18 HA ALA 18 -4.436 -0.052 0.759 72 HB1 ALA 18 HB3 ALA 18 -5.448 0.585 3.513 73 HB2 ALA 18 HB1 ALA 18 -3.995 1.336 2.854 74 HB3 ALA 18 HB2 ALA 18 -4.072 -0.416 3.047 75 H SER 19 HN SER 19 -7.560 0.759 2.250 76 HA SER 19 HA SER 19 -8.494 -1.884 2.490 77 HG SER 19 HG SER 19 -10.690 -0.988 4.306 78 HB2 SER 19 HB2 SER 19 -9.407 0.414 3.445 79 HB3 SER 19 HB1 SER 19 -10.420 0.346 2.004 80 H LYS 20 HN LYS 20 -8.740 0.486 -0.112 81 HA LYS 20 HA LYS 20 -10.480 -1.095 -1.728 82 HB2 LYS 20 HB2 LYS 20 -9.817 1.509 -1.756 83 HB3 LYS 20 HB1 LYS 20 -8.733 0.925 -3.011 84 HG2 LYS 20 HG2 LYS 20 -10.660 -0.044 -4.193 85 HG3 LYS 20 HG1 LYS 20 -11.720 0.625 -2.957 86 HD2 LYS 20 HD2 LYS 20 -11.860 2.356 -4.400 87 HD3 LYS 20 HD1 LYS 20 -10.340 2.836 -3.644 88 HE2 LYS 20 HE2 LYS 20 -9.719 2.938 -5.832 89 HE3 LYS 20 HE1 LYS 20 -9.344 1.247 -5.506 90 HZ1 LYS 20 HZ3 LYS 20 -11.250 0.537 -6.605 91 HZ2 LYS 20 HZ1 LYS 20 -10.660 1.772 -7.596 92 HZ3 LYS 20 HZ2 LYS 20 -11.970 2.069 -6.574 93 H ALA 21 HN ALA 21 -7.012 -0.737 -1.430 94 HA ALA 21 HA ALA 21 -6.307 -2.089 -3.818 95 HB1 ALA 21 HB3 ALA 21 -4.097 -2.025 -3.047 96 HB2 ALA 21 HB1 ALA 21 -4.594 -2.014 -1.354 97 HB3 ALA 21 HB2 ALA 21 -4.846 -0.585 -2.357 98 H ALA 22 HN ALA 22 -6.492 -3.178 -0.433 99 HA ALA 22 HA ALA 22 -5.749 -5.840 -0.880 100 HB1 ALA 22 HB3 ALA 22 -6.392 -6.261 1.307 101 HB2 ALA 22 HB1 ALA 22 -7.713 -5.092 1.251 102 HB3 ALA 22 HB2 ALA 22 -6.042 -4.532 1.333 103 H GLN 23 HN GLN 23 -8.869 -4.231 -1.110 104 HA GLN 23 HA GLN 23 -10.360 -6.651 -1.453 105 HB2 GLN 23 HB2 GLN 23 -10.950 -3.731 -1.626 106 HB3 GLN 23 HB1 GLN 23 -12.070 -4.854 -2.381 107 HG2 GLN 23 HG2 GLN 23 -12.020 -6.061 -0.092 108 HG3 GLN 23 HG1 GLN 23 -11.380 -4.529 0.504 109 HE21 GLN 23 HE21 GLN 23 -14.140 -6.229 -0.622 110 HE22 GLN 23 HE22 GLN 23 -15.290 -4.966 -0.378 111 H GLU 24 HN GLU 24 -8.769 -4.362 -3.556 112 HA GLU 24 HA GLU 24 -9.999 -5.180 -5.977 113 HB2 GLU 24 HB2 GLU 24 -7.454 -3.709 -5.337 114 HB3 GLU 24 HB1 GLU 24 -7.879 -4.125 -6.992 115 HG2 GLU 24 HG2 GLU 24 -10.010 -2.807 -5.489 116 HG3 GLU 24 HG1 GLU 24 -8.572 -1.825 -5.728 117 H ASP 25 HN ASP 25 -6.823 -5.953 -4.557 118 HA ASP 25 HA ASP 25 -6.065 -7.806 -6.534 119 HB2 ASP 25 HB2 ASP 25 -4.653 -6.653 -4.673 120 HB3 ASP 25 HB1 ASP 25 -5.139 -8.029 -3.686 121 H LYS 26 HN LYS 26 -7.759 -8.191 -3.458 122 HA LYS 26 HA LYS 26 -7.812 -11.020 -3.475 123 HB2 LYS 26 HB2 LYS 26 -9.396 -8.907 -2.047 124 HB3 LYS 26 HB1 LYS 26 -9.845 -10.600 -1.910 125 HG2 LYS 26 HG2 LYS 26 -7.496 -11.050 -1.149 126 HG3 LYS 26 HG1 LYS 26 -7.265 -9.309 -1.070 127 HD2 LYS 26 HD2 LYS 26 -8.659 -9.068 0.731 128 HD3 LYS 26 HD1 LYS 26 -9.629 -10.470 0.305 129 HE2 LYS 26 HE2 LYS 26 -7.815 -11.940 1.015 130 HE3 LYS 26 HE1 LYS 26 -6.826 -10.540 1.417 131 HZ1 LYS 26 HZ3 LYS 26 -9.450 -10.670 2.665 132 HZ2 LYS 26 HZ1 LYS 26 -7.967 -10.170 3.307 133 HZ3 LYS 26 HZ2 LYS 26 -8.324 -11.820 3.190 134 H ALA 27 HN ALA 27 -9.860 -8.568 -4.899 135 HA ALA 27 HA ALA 27 -11.980 -10.370 -5.577 136 HB1 ALA 27 HB3 ALA 27 -12.880 -8.485 -6.870 137 HB2 ALA 27 HB1 ALA 27 -11.380 -7.590 -6.582 138 HB3 ALA 27 HB2 ALA 27 -12.440 -8.007 -5.230 139 H GLY 28 HN GLY 28 -9.076 -9.203 -7.124 140 HA2 GLY 28 HA2 GLY 28 -8.428 -11.100 -8.805 141 HA3 GLY 28 HA1 GLY 28 -9.835 -10.470 -9.652 142 H ASN 29 HN ASN 29 -9.235 -7.712 -8.758 143 HA ASN 29 HA ASN 29 -7.588 -6.974 -10.960 144 HB2 ASN 29 HB2 ASN 29 -8.594 -5.256 -8.689 145 HB3 ASN 29 HB1 ASN 29 -7.960 -4.678 -10.220 146 HD21 ASN 29 HD21 ASN 29 -10.230 -3.654 -9.839 147 HD22 ASN 29 HD22 ASN 29 -11.520 -4.459 -10.640 148 H TYR 30 HN TYR 30 -5.473 -7.431 -10.870 149 HA TYR 30 HA TYR 30 -4.009 -7.020 -8.381 150 HD1 TYR 30 HD1 TYR 30 -5.514 -9.182 -8.946 151 HD2 TYR 30 HD2 TYR 30 -1.350 -10.050 -9.018 152 HE1 TYR 30 HE1 TYR 30 -5.915 -11.180 -7.580 153 HE2 TYR 30 HE2 TYR 30 -1.740 -12.050 -7.652 154 HH TYR 30 HH TYR 30 -4.264 -12.600 -5.864 155 HB2 TYR 30 HB2 TYR 30 -3.431 -8.477 -10.930 156 HB3 TYR 30 HB1 TYR 30 -2.105 -8.013 -9.876 157 H GLU 31 HN GLU 31 -4.048 -5.925 -11.740 158 HA GLU 31 HA GLU 31 -1.786 -4.276 -11.640 159 HB2 GLU 31 HB2 GLU 31 -4.298 -4.107 -13.310 160 HB3 GLU 31 HB1 GLU 31 -2.908 -3.058 -13.550 161 HG2 GLU 31 HG2 GLU 31 -1.584 -5.276 -13.740 162 HG3 GLU 31 HG1 GLU 31 -3.169 -5.991 -14.030 163 H GLU 32 HN GLU 32 -5.217 -3.328 -11.360 164 HA GLU 32 HA GLU 32 -4.732 -0.663 -10.650 165 HB2 GLU 32 HB2 GLU 32 -6.942 -1.964 -11.310 166 HB3 GLU 32 HB1 GLU 32 -7.129 -2.076 -9.574 167 HG2 GLU 32 HG2 GLU 32 -8.180 -0.117 -9.794 168 HG3 GLU 32 HG1 GLU 32 -6.549 0.550 -9.852 169 H ALA 33 HN ALA 33 -4.893 -3.589 -8.732 170 HA ALA 33 HA ALA 33 -4.992 -2.302 -6.196 171 HB1 ALA 33 HB3 ALA 33 -4.553 -5.070 -7.167 172 HB2 ALA 33 HB1 ALA 33 -5.700 -4.453 -5.978 173 HB3 ALA 33 HB2 ALA 33 -4.008 -4.679 -5.536 174 H LEU 34 HN LEU 34 -2.394 -3.417 -8.290 175 HA LEU 34 HA LEU 34 -0.269 -3.226 -6.475 176 HG LEU 34 HG LEU 34 1.802 -1.940 -8.638 177 HB2 LEU 34 HB2 LEU 34 -0.043 -4.331 -8.627 178 HB3 LEU 34 HB1 LEU 34 -0.305 -2.813 -9.465 179 HD11 LEU 34 HD11 LEU 34 1.984 -4.558 -7.160 180 HD12 LEU 34 HD12 LEU 34 1.920 -2.936 -6.470 181 HD13 LEU 34 HD13 LEU 34 3.338 -3.450 -7.384 182 HD21 LEU 34 HD23 LEU 34 1.538 -3.743 -10.590 183 HD22 LEU 34 HD21 LEU 34 2.642 -4.629 -9.541 184 HD23 LEU 34 HD22 LEU 34 3.090 -3.034 -10.140 185 H GLN 35 HN GLN 35 -1.513 -0.829 -8.793 186 HA GLN 35 HA GLN 35 0.288 1.222 -8.092 187 HB2 GLN 35 HB2 GLN 35 -2.312 1.089 -9.547 188 HB3 GLN 35 HB1 GLN 35 -1.726 2.666 -9.035 189 HG2 GLN 35 HG2 GLN 35 -1.080 2.147 -11.330 190 HG3 GLN 35 HG1 GLN 35 0.322 2.346 -10.280 191 HE21 GLN 35 HE21 GLN 35 -1.435 0.226 -12.310 192 HE22 GLN 35 HE22 GLN 35 -0.368 -1.128 -12.200 193 H LEU 36 HN LEU 36 -2.791 0.214 -6.766 194 HA LEU 36 HA LEU 36 -3.193 2.533 -5.152 195 HG LEU 36 HG LEU 36 -5.009 1.349 -6.959 196 HB2 LEU 36 HB2 LEU 36 -4.367 -0.242 -5.028 197 HB3 LEU 36 HB1 LEU 36 -4.863 1.067 -3.973 198 HD11 LEU 36 HD11 LEU 36 -6.232 -0.718 -6.076 199 HD12 LEU 36 HD12 LEU 36 -7.156 0.436 -7.037 200 HD13 LEU 36 HD13 LEU 36 -7.315 0.424 -5.280 201 HD21 LEU 36 HD23 LEU 36 -5.365 3.423 -6.043 202 HD22 LEU 36 HD21 LEU 36 -6.088 2.771 -4.573 203 HD23 LEU 36 HD22 LEU 36 -7.012 2.792 -6.075 204 H TYR 37 HN TYR 37 -1.724 -0.630 -4.644 205 HA TYR 37 HA TYR 37 -1.405 -0.499 -1.865 206 HD1 TYR 37 HD2 TYR 37 -2.051 -2.224 -1.014 207 HD2 TYR 37 HD1 TYR 37 -0.756 -3.972 -4.671 208 HE1 TYR 37 HE2 TYR 37 -3.741 -3.993 -0.761 209 HE2 TYR 37 HE1 TYR 37 -2.442 -5.745 -4.428 210 HH TYR 37 HH TYR 37 -3.948 -6.484 -1.655 211 HB2 TYR 37 HB2 TYR 37 0.139 -1.933 -4.020 212 HB3 TYR 37 HB1 TYR 37 0.555 -2.089 -2.316 213 H GLN 38 HN GLN 38 0.585 0.740 -4.496 214 HA GLN 38 HA GLN 38 2.776 1.525 -2.864 215 HB2 GLN 38 HB2 GLN 38 1.944 2.559 -5.581 216 HB3 GLN 38 HB1 GLN 38 3.511 2.806 -4.824 217 HG2 GLN 38 HG2 GLN 38 4.131 0.583 -5.088 218 HG3 GLN 38 HG1 GLN 38 2.467 0.049 -5.326 219 HE21 GLN 38 HE21 GLN 38 4.176 -0.875 -7.088 220 HE22 GLN 38 HE22 GLN 38 4.048 -0.065 -8.609 221 H HIS 39 HN HIS 39 -0.115 3.169 -4.046 222 HA HIS 39 HA HIS 39 0.538 5.769 -3.237 223 HD1 HIS 39 HD1 HIS 39 -3.379 6.489 -5.341 224 HD2 HIS 39 HD2 HIS 39 0.755 6.080 -5.443 225 HE1 HIS 39 HE1 HIS 39 -2.638 7.670 -7.433 226 HE2 HIS 39 HE2 HIS 39 -0.126 7.485 -7.428 227 HB2 HIS 39 HB2 HIS 39 -1.975 4.316 -3.882 228 HB3 HIS 39 HB1 HIS 39 -2.129 5.831 -2.998 229 H ALA 40 HN ALA 40 -1.162 3.174 -1.514 230 HA ALA 40 HA ALA 40 -1.787 4.606 0.807 231 HB1 ALA 40 HB3 ALA 40 -2.352 2.130 -0.061 232 HB2 ALA 40 HB1 ALA 40 -2.559 2.641 1.614 233 HB3 ALA 40 HB2 ALA 40 -1.113 1.751 1.136 234 H VAL 41 HN VAL 41 1.081 2.700 -0.027 235 HA VAL 41 HA VAL 41 2.365 2.952 2.479 236 HB VAL 41 HB VAL 41 3.702 2.573 -0.203 237 HG11 VAL 41 HG11 VAL 41 4.744 1.274 2.224 238 HG12 VAL 41 HG12 VAL 41 4.885 3.031 2.181 239 HG13 VAL 41 HG13 VAL 41 5.600 2.058 0.896 240 HG21 VAL 41 HG23 VAL 41 3.187 0.215 1.467 241 HG22 VAL 41 HG21 VAL 41 3.056 0.422 -0.279 242 HG23 VAL 41 HG22 VAL 41 1.746 0.958 0.773 243 H GLN 42 HN GLN 42 2.283 4.970 -0.386 244 HA GLN 42 HA GLN 42 4.465 6.641 0.241 245 HB2 GLN 42 HB2 GLN 42 2.030 6.964 -1.487 246 HB3 GLN 42 HB1 GLN 42 3.142 8.304 -1.247 247 HG2 GLN 42 HG2 GLN 42 4.851 6.296 -1.901 248 HG3 GLN 42 HG1 GLN 42 3.429 5.879 -2.856 249 HE21 GLN 42 HE21 GLN 42 2.408 8.105 -3.738 250 HE22 GLN 42 HE22 GLN 42 3.540 9.042 -4.647 251 H TYR 43 HN TYR 43 0.977 7.040 0.820 252 HA TYR 43 HA TYR 43 1.290 9.482 2.260 253 HD1 TYR 43 HD1 TYR 43 -0.296 11.009 1.011 254 HD2 TYR 43 HD2 TYR 43 -1.765 7.124 0.091 255 HE1 TYR 43 HE1 TYR 43 -0.880 11.773 -1.252 256 HE2 TYR 43 HE2 TYR 43 -2.352 7.876 -2.175 257 HH TYR 43 HH TYR 43 -2.415 11.148 -3.068 258 HB2 TYR 43 HB2 TYR 43 -1.049 7.562 2.242 259 HB3 TYR 43 HB1 TYR 43 -1.081 9.228 2.810 260 H PHE 44 HN PHE 44 1.005 6.089 3.161 261 HA PHE 44 HA PHE 44 0.646 6.415 5.918 262 HD1 PHE 44 HD1 PHE 44 -0.503 5.209 7.029 263 HD2 PHE 44 HD2 PHE 44 0.022 2.693 3.637 264 HE1 PHE 44 HE1 PHE 44 -2.790 4.349 7.318 265 HE2 PHE 44 HE2 PHE 44 -2.264 1.829 3.920 266 HZ PHE 44 HZ PHE 44 -3.674 2.657 5.762 267 HB2 PHE 44 HB2 PHE 44 1.664 4.222 4.169 268 HB3 PHE 44 HB1 PHE 44 1.931 4.092 5.904 269 H LEU 45 HN LEU 45 3.668 5.701 4.158 270 HA LEU 45 HA LEU 45 5.375 5.999 6.358 271 HG LEU 45 HG LEU 45 5.178 4.141 3.885 272 HB2 LEU 45 HB2 LEU 45 5.959 6.444 3.429 273 HB3 LEU 45 HB1 LEU 45 7.172 6.264 4.683 274 HD11 LEU 45 HD11 LEU 45 7.969 4.738 3.041 275 HD12 LEU 45 HD12 LEU 45 6.609 4.129 2.099 276 HD13 LEU 45 HD13 LEU 45 7.469 3.054 3.201 277 HD21 LEU 45 HD23 LEU 45 5.753 3.865 6.180 278 HD22 LEU 45 HD21 LEU 45 7.460 4.158 5.849 279 HD23 LEU 45 HD22 LEU 45 6.687 2.687 5.257 280 H HIS 46 HN HIS 46 3.999 8.341 4.158 281 HA HIS 46 HA HIS 46 5.699 10.509 4.723 282 HD1 HIS 46 HD1 HIS 46 5.296 12.631 2.207 283 HD2 HIS 46 HD2 HIS 46 2.502 13.086 5.249 284 HE1 HIS 46 HE1 HIS 46 5.054 15.113 2.532 285 HE2 HIS 46 HE2 HIS 46 3.294 15.365 4.317 286 HB2 HIS 46 HB2 HIS 46 4.136 10.469 2.816 287 HB3 HIS 46 HB1 HIS 46 2.778 10.558 3.933 288 H VAL 47 HN VAL 47 2.767 9.336 6.294 289 HA VAL 47 HA VAL 47 2.552 11.534 8.106 290 HB VAL 47 HB VAL 47 1.365 8.774 8.418 291 HG11 VAL 47 HG11 VAL 47 -0.425 10.449 9.503 292 HG12 VAL 47 HG12 VAL 47 1.055 11.352 9.827 293 HG13 VAL 47 HG13 VAL 47 0.880 9.701 10.424 294 HG21 VAL 47 HG23 VAL 47 -0.242 9.239 6.916 295 HG22 VAL 47 HG21 VAL 47 0.929 10.394 6.279 296 HG23 VAL 47 HG22 VAL 47 -0.331 10.937 7.386 297 H VAL 48 HN VAL 48 3.852 8.244 8.333 298 HA VAL 48 HA VAL 48 4.537 8.395 11.081 299 HB VAL 48 HB VAL 48 5.838 6.634 9.003 300 HG11 VAL 48 HG11 VAL 48 5.782 5.127 11.177 301 HG12 VAL 48 HG12 VAL 48 5.770 6.701 11.972 302 HG13 VAL 48 HG13 VAL 48 7.086 6.276 10.879 303 HG21 VAL 48 HG23 VAL 48 4.002 5.034 10.144 304 HG22 VAL 48 HG21 VAL 48 3.720 5.929 8.651 305 HG23 VAL 48 HG22 VAL 48 3.136 6.570 10.186 306 H LYS 49 HN LYS 49 6.260 9.146 8.103 307 HA LYS 49 HA LYS 49 8.785 9.578 9.376 308 HB2 LYS 49 HB2 LYS 49 8.370 8.997 6.922 309 HB3 LYS 49 HB1 LYS 49 7.941 10.688 6.705 310 HG2 LYS 49 HG2 LYS 49 10.514 10.170 8.045 311 HG3 LYS 49 HG1 LYS 49 10.413 9.721 6.341 312 HD2 LYS 49 HD2 LYS 49 10.269 11.870 5.648 313 HD3 LYS 49 HD1 LYS 49 9.311 12.366 7.045 314 HE2 LYS 49 HE2 LYS 49 11.131 12.928 8.258 315 HE3 LYS 49 HE1 LYS 49 12.100 11.604 7.613 316 HZ1 LYS 49 HZ3 LYS 49 12.640 14.061 6.997 317 HZ2 LYS 49 HZ1 LYS 49 11.413 13.849 5.851 318 HZ3 LYS 49 HZ2 LYS 49 12.773 12.844 5.830 319 H TYR 50 HN TYR 50 6.013 11.555 8.592 320 HA TYR 50 HA TYR 50 7.394 14.022 9.245 321 HD1 TYR 50 HD2 TYR 50 7.058 12.760 6.759 322 HD2 TYR 50 HD1 TYR 50 4.928 16.419 7.180 323 HE1 TYR 50 HE2 TYR 50 7.923 13.507 4.582 324 HE2 TYR 50 HE1 TYR 50 5.786 17.176 5.004 325 HH TYR 50 HH TYR 50 6.678 16.212 2.939 326 HB2 TYR 50 HB2 TYR 50 4.638 13.335 8.278 327 HB3 TYR 50 HB1 TYR 50 4.961 14.926 8.958 328 H GLU 51 HN GLU 51 4.272 12.739 10.383 329 HA GLU 51 HA GLU 51 5.055 12.797 13.133 330 HB2 GLU 51 HB2 GLU 51 3.294 14.543 13.739 331 HB3 GLU 51 HB1 GLU 51 4.795 15.136 13.041 332 HG2 GLU 51 HG2 GLU 51 3.788 15.607 10.985 333 HG3 GLU 51 HG1 GLU 51 2.377 14.616 11.351 334 H ALA 52 HN ALA 52 4.229 10.748 13.284 335 HA ALA 52 HA ALA 52 1.615 10.061 12.342 336 HB1 ALA 52 HB3 ALA 52 2.189 8.027 13.983 337 HB2 ALA 52 HB1 ALA 52 3.813 8.677 13.754 338 HB3 ALA 52 HB2 ALA 52 2.862 8.170 12.358 339 H GLN 53 HN GLN 53 0.312 8.690 14.177 340 HA GLN 53 HA GLN 53 -0.766 10.712 15.888 341 HB2 GLN 53 HB2 GLN 53 -1.392 7.758 15.927 342 HB3 GLN 53 HB1 GLN 53 -2.401 9.070 16.521 343 HG2 GLN 53 HG2 GLN 53 -1.618 8.810 13.635 344 HG3 GLN 53 HG1 GLN 53 -3.055 8.042 14.310 345 HE21 GLN 53 HE21 GLN 53 -1.904 10.732 12.780 346 HE22 GLN 53 HE22 GLN 53 -3.178 11.838 13.155 347 H GLY 54 HN GLY 54 0.939 7.640 16.465 348 HA2 GLY 54 HA2 GLY 54 2.284 8.685 18.755 349 HA3 GLY 54 HA1 GLY 54 0.963 7.626 19.223 350 H ASP 55 HN ASP 55 2.973 6.547 20.172 351 HA ASP 55 HA ASP 55 4.829 5.216 18.550 352 HB2 ASP 55 HB2 ASP 55 3.886 4.947 21.356 353 HB3 ASP 55 HB1 ASP 55 4.752 3.577 20.668 354 H LYS 56 HN LYS 56 1.854 3.959 20.061 355 HA LYS 56 HA LYS 56 1.959 1.411 18.904 356 HB2 LYS 56 HB2 LYS 56 -0.261 3.081 20.040 357 HB3 LYS 56 HB1 LYS 56 -0.615 1.535 19.280 358 HG2 LYS 56 HG2 LYS 56 0.511 0.330 20.906 359 HG3 LYS 56 HG1 LYS 56 1.458 1.725 21.425 360 HD2 LYS 56 HD2 LYS 56 -0.702 2.749 22.226 361 HD3 LYS 56 HD1 LYS 56 -1.464 1.186 21.923 362 HE2 LYS 56 HE2 LYS 56 0.970 1.471 23.662 363 HE3 LYS 56 HE1 LYS 56 -0.663 1.660 24.299 364 HZ1 LYS 56 HZ3 LYS 56 0.679 -0.749 23.307 365 HZ2 LYS 56 HZ1 LYS 56 -0.997 -0.630 23.107 366 HZ3 LYS 56 HZ2 LYS 56 -0.322 -0.551 24.656 367 H ALA 57 HN ALA 57 0.670 4.453 17.716 368 HA ALA 57 HA ALA 57 -0.763 3.419 15.514 369 HB1 ALA 57 HB3 ALA 57 0.456 6.104 15.268 370 HB2 ALA 57 HB1 ALA 57 -0.628 5.840 16.634 371 HB3 ALA 57 HB2 ALA 57 -1.204 5.580 14.988 372 H LYS 58 HN LYS 58 2.545 4.671 15.819 373 HA LYS 58 HA LYS 58 3.266 4.472 13.121 374 HB2 LYS 58 HB2 LYS 58 4.985 4.228 15.595 375 HB3 LYS 58 HB1 LYS 58 5.606 4.433 13.963 376 HG2 LYS 58 HG2 LYS 58 4.903 6.622 13.824 377 HG3 LYS 58 HG1 LYS 58 3.665 6.413 15.064 378 HD2 LYS 58 HD2 LYS 58 5.280 6.401 16.801 379 HD3 LYS 58 HD1 LYS 58 6.612 6.247 15.653 380 HE2 LYS 58 HE2 LYS 58 5.538 8.524 14.756 381 HE3 LYS 58 HE1 LYS 58 5.045 8.631 16.446 382 HZ1 LYS 58 HZ3 LYS 58 7.073 9.584 16.609 383 HZ2 LYS 58 HZ1 LYS 58 7.712 8.760 15.277 384 HZ3 LYS 58 HZ2 LYS 58 7.576 7.977 16.770 385 H GLN 59 HN GLN 59 3.522 2.127 15.763 386 HA GLN 59 HA GLN 59 4.902 0.129 14.367 387 HB2 GLN 59 HB2 GLN 59 3.132 0.172 16.773 388 HB3 GLN 59 HB1 GLN 59 3.564 -1.382 16.073 389 HG2 GLN 59 HG2 GLN 59 5.994 -0.358 16.195 390 HG3 GLN 59 HG1 GLN 59 5.257 0.611 17.470 391 HE21 GLN 59 HE21 GLN 59 6.566 -2.401 16.614 392 HE22 GLN 59 HE22 GLN 59 6.259 -3.227 18.099 393 H SER 60 HN SER 60 1.507 0.978 14.452 394 HA SER 60 HA SER 60 0.538 -1.387 13.211 395 HG SER 60 HG SER 60 -1.726 -1.113 12.549 396 HB2 SER 60 HB2 SER 60 -0.672 0.663 14.481 397 HB3 SER 60 HB1 SER 60 -0.956 1.144 12.808 398 H ILE 61 HN ILE 61 1.577 1.762 12.000 399 HA ILE 61 HA ILE 61 0.849 1.231 9.287 400 HB ILE 61 HB ILE 61 2.840 3.273 10.272 401 HG12 ILE 61 HG12 ILE 61 -0.130 3.647 9.844 402 HG13 ILE 61 HG11 ILE 61 0.609 3.404 11.424 403 HG21 ILE 61 HG21 ILE 61 3.033 3.130 7.948 404 HG22 ILE 61 HG22 ILE 61 1.931 4.482 8.207 405 HG23 ILE 61 HG23 ILE 61 1.297 2.908 7.726 406 HD11 ILE 61 HD13 ILE 61 1.273 5.672 9.564 407 HD12 ILE 61 HD11 ILE 61 1.834 5.456 11.222 408 HD13 ILE 61 HD12 ILE 61 0.127 5.767 10.902 409 H ARG 62 HN ARG 62 3.749 0.827 11.219 410 HA ARG 62 HA ARG 62 5.601 0.411 9.160 411 HE ARG 62 HE ARG 62 7.965 2.455 13.208 412 HB2 ARG 62 HB2 ARG 62 5.455 -0.471 12.025 413 HB3 ARG 62 HB1 ARG 62 6.754 -1.042 10.987 414 HG2 ARG 62 HG2 ARG 62 6.943 1.569 10.482 415 HG3 ARG 62 HG1 ARG 62 6.258 1.647 12.107 416 HD2 ARG 62 HD2 ARG 62 8.139 -0.176 12.561 417 HD3 ARG 62 HD1 ARG 62 8.899 0.642 11.196 418 HH11 ARG 62 HH11 ARG 62 10.598 0.361 12.282 419 HH12 ARG 62 HH12 ARG 62 11.780 1.233 13.200 420 HH21 ARG 62 HH21 ARG 62 9.517 3.603 14.416 421 HH22 ARG 62 HH22 ARG 62 11.166 3.073 14.412 422 H ALA 63 HN ALA 63 3.570 -1.904 10.931 423 HA ALA 63 HA ALA 63 4.508 -4.194 9.545 424 HB1 ALA 63 HB3 ALA 63 3.114 -5.372 10.881 425 HB2 ALA 63 HB1 ALA 63 1.772 -4.251 10.656 426 HB3 ALA 63 HB2 ALA 63 3.069 -3.857 11.783 427 H LYS 64 HN LYS 64 1.903 -1.910 8.979 428 HA LYS 64 HA LYS 64 0.651 -3.437 6.910 429 HB2 LYS 64 HB2 LYS 64 0.430 -0.529 7.695 430 HB3 LYS 64 HB1 LYS 64 -0.539 -1.272 6.429 431 HG2 LYS 64 HG2 LYS 64 -1.819 -2.448 7.902 432 HG3 LYS 64 HG1 LYS 64 -0.535 -2.547 9.110 433 HD2 LYS 64 HD2 LYS 64 -2.015 -1.057 10.085 434 HD3 LYS 64 HD1 LYS 64 -0.865 0.023 9.294 435 HE2 LYS 64 HE2 LYS 64 -2.967 0.893 8.739 436 HE3 LYS 64 HE1 LYS 64 -2.467 -0.008 7.308 437 HZ1 LYS 64 HZ3 LYS 64 -4.848 -0.280 8.422 438 HZ2 LYS 64 HZ1 LYS 64 -4.018 -1.472 9.290 439 HZ3 LYS 64 HZ2 LYS 64 -4.077 -1.542 7.601 440 H CYS 65 HN CYS 65 2.918 -0.718 6.984 441 HA CYS 65 HA CYS 65 3.028 -0.230 4.230 442 HG CYS 65 HG CYS 65 4.286 2.737 5.036 443 HB2 CYS 65 HB2 CYS 65 4.910 0.275 6.508 444 HB3 CYS 65 HB1 CYS 65 5.431 0.593 4.857 445 H THR 66 HN THR 66 4.579 -2.651 6.211 446 HA THR 66 HA THR 66 6.381 -3.487 4.108 447 HB THR 66 HB THR 66 7.095 -3.639 6.443 448 HG1 THR 66 HG1 THR 66 8.055 -5.538 6.189 449 HG21 THR 66 HG23 THR 66 4.813 -5.568 6.743 450 HG22 THR 66 HG21 THR 66 5.093 -4.074 7.638 451 HG23 THR 66 HG22 THR 66 6.164 -5.456 7.872 452 H GLU 67 HN GLU 67 3.285 -4.433 5.422 453 HA GLU 67 HA GLU 67 3.145 -6.993 4.208 454 HB2 GLU 67 HB2 GLU 67 1.719 -6.350 6.100 455 HB3 GLU 67 HB1 GLU 67 0.916 -5.151 5.094 456 HG2 GLU 67 HG2 GLU 67 -0.533 -6.987 5.166 457 HG3 GLU 67 HG1 GLU 67 0.244 -7.065 3.585 458 H TYR 68 HN TYR 68 1.862 -3.814 3.269 459 HA TYR 68 HA TYR 68 0.708 -4.728 0.839 460 HD1 TYR 68 HD1 TYR 68 -1.311 -4.336 1.481 461 HD2 TYR 68 HD2 TYR 68 0.276 -0.779 3.192 462 HE1 TYR 68 HE1 TYR 68 -3.228 -4.226 3.018 463 HE2 TYR 68 HE2 TYR 68 -1.636 -0.660 4.734 464 HH TYR 68 HH TYR 68 -3.301 -2.291 5.732 465 HB2 TYR 68 HB2 TYR 68 1.533 -1.923 1.618 466 HB3 TYR 68 HB1 TYR 68 0.449 -2.353 0.299 467 H LEU 69 HN LEU 69 3.793 -3.207 1.659 468 HA LEU 69 HA LEU 69 4.744 -2.816 -0.946 469 HG LEU 69 HG LEU 69 5.172 -0.868 0.874 470 HB2 LEU 69 HB2 LEU 69 6.005 -3.086 1.740 471 HB3 LEU 69 HB1 LEU 69 7.040 -3.171 0.328 472 HD11 LEU 69 HD11 LEU 69 7.889 -1.456 1.880 473 HD12 LEU 69 HD12 LEU 69 6.595 -0.493 2.593 474 HD13 LEU 69 HD13 LEU 69 7.587 0.182 1.302 475 HD21 LEU 69 HD23 LEU 69 7.564 -1.065 -0.948 476 HD22 LEU 69 HD21 LEU 69 6.427 0.277 -0.813 477 HD23 LEU 69 HD22 LEU 69 5.893 -1.268 -1.477 478 H ASP 70 HN ASP 70 4.886 -5.620 1.186 479 HA ASP 70 HA ASP 70 6.606 -7.162 -0.469 480 HB2 ASP 70 HB2 ASP 70 5.899 -7.450 2.060 481 HB3 ASP 70 HB1 ASP 70 4.634 -8.460 1.366 482 H ARG 71 HN ARG 71 3.095 -6.923 -0.142 483 HA ARG 71 HA ARG 71 2.510 -9.029 -1.962 484 HE ARG 71 HE ARG 71 -2.311 -9.293 -3.048 485 HB2 ARG 71 HB2 ARG 71 0.904 -8.261 -0.263 486 HB3 ARG 71 HB1 ARG 71 0.785 -6.708 -1.079 487 HG2 ARG 71 HG2 ARG 71 -0.440 -7.564 -2.825 488 HG3 ARG 71 HG1 ARG 71 0.174 -9.202 -2.592 489 HD2 ARG 71 HD2 ARG 71 -1.125 -9.376 -0.514 490 HD3 ARG 71 HD1 ARG 71 -1.757 -7.752 -0.784 491 HH11 ARG 71 HH11 ARG 71 -3.221 -9.121 0.317 492 HH12 ARG 71 HH12 ARG 71 -4.798 -9.787 0.053 493 HH21 ARG 71 HH21 ARG 71 -4.385 -10.160 -3.396 494 HH22 ARG 71 HH22 ARG 71 -5.459 -10.380 -2.054 495 H ALA 72 HN ALA 72 2.535 -5.488 -2.273 496 HA ALA 72 HA ALA 72 1.780 -5.404 -4.984 497 HB1 ALA 72 HB3 ALA 72 1.531 -3.367 -3.957 498 HB2 ALA 72 HB1 ALA 72 3.046 -3.112 -4.824 499 HB3 ALA 72 HB2 ALA 72 3.068 -3.487 -3.101 500 H GLU 73 HN GLU 73 4.905 -5.721 -3.404 501 HA GLU 73 HA GLU 73 6.527 -5.265 -5.661 502 HB2 GLU 73 HB2 GLU 73 6.911 -6.608 -3.020 503 HB3 GLU 73 HB1 GLU 73 8.132 -6.829 -4.266 504 HG2 GLU 73 HG2 GLU 73 7.323 -4.049 -3.869 505 HG3 GLU 73 HG1 GLU 73 8.074 -4.796 -2.460 506 H LYS 74 HN LYS 74 4.990 -8.171 -4.390 507 HA LYS 74 HA LYS 74 6.267 -9.993 -6.150 508 HB2 LYS 74 HB2 LYS 74 4.765 -10.290 -3.937 509 HB3 LYS 74 HB1 LYS 74 3.545 -10.620 -5.159 510 HG2 LYS 74 HG2 LYS 74 5.518 -12.170 -6.089 511 HG3 LYS 74 HG1 LYS 74 5.915 -12.190 -4.369 512 HD2 LYS 74 HD2 LYS 74 3.703 -12.990 -3.823 513 HD3 LYS 74 HD1 LYS 74 3.199 -12.840 -5.509 514 HE2 LYS 74 HE2 LYS 74 5.442 -14.630 -4.582 515 HE3 LYS 74 HE1 LYS 74 3.773 -15.170 -4.754 516 HZ1 LYS 74 HZ3 LYS 74 5.567 -15.340 -6.697 517 HZ2 LYS 74 HZ1 LYS 74 4.927 -13.820 -7.056 518 HZ3 LYS 74 HZ2 LYS 74 3.910 -15.170 -6.990 519 H LEU 75 HN LEU 75 3.313 -8.093 -6.336 520 HA LEU 75 HA LEU 75 2.195 -9.329 -8.601 521 HG LEU 75 HG LEU 75 0.048 -8.986 -8.072 522 HB2 LEU 75 HB2 LEU 75 1.837 -6.762 -7.172 523 HB3 LEU 75 HB1 LEU 75 1.284 -6.803 -8.835 524 HD11 LEU 75 HD11 LEU 75 0.436 -7.522 -5.466 525 HD12 LEU 75 HD12 LEU 75 1.040 -9.129 -5.868 526 HD13 LEU 75 HD13 LEU 75 -0.696 -8.847 -5.734 527 HD21 LEU 75 HD23 LEU 75 -0.878 -6.716 -8.786 528 HD22 LEU 75 HD21 LEU 75 -1.038 -6.377 -7.063 529 HD23 LEU 75 HD22 LEU 75 -1.908 -7.733 -7.779 530 H LYS 76 HN LYS 76 4.190 -6.391 -8.333 531 HA LYS 76 HA LYS 76 4.373 -5.924 -11.100 532 HB2 LYS 76 HB2 LYS 76 6.245 -4.430 -10.530 533 HB3 LYS 76 HB1 LYS 76 4.853 -4.174 -9.487 534 HG2 LYS 76 HG2 LYS 76 5.920 -5.465 -7.723 535 HG3 LYS 76 HG1 LYS 76 7.307 -5.767 -8.772 536 HD2 LYS 76 HD2 LYS 76 7.206 -3.085 -8.910 537 HD3 LYS 76 HD1 LYS 76 6.531 -3.325 -7.297 538 HE2 LYS 76 HE2 LYS 76 8.691 -3.330 -6.665 539 HE3 LYS 76 HE1 LYS 76 8.644 -5.007 -7.207 540 HZ1 LYS 76 HZ3 LYS 76 10.533 -3.962 -8.173 541 HZ2 LYS 76 HZ1 LYS 76 9.614 -2.659 -8.740 542 HZ3 LYS 76 HZ2 LYS 76 9.404 -4.197 -9.411 543 H GLU 77 HN GLU 77 6.116 -8.020 -8.952 544 HA GLU 77 HA GLU 77 8.451 -8.440 -10.420 545 HB2 GLU 77 HB2 GLU 77 6.952 -9.940 -8.349 546 HB3 GLU 77 HB1 GLU 77 8.115 -10.850 -9.296 547 HG2 GLU 77 HG2 GLU 77 9.563 -8.650 -8.646 548 HG3 GLU 77 HG1 GLU 77 8.542 -8.843 -7.222 549 H TYR 78 HN TYR 78 5.409 -10.300 -10.470 550 HA TYR 78 HA TYR 78 6.309 -11.820 -12.760 551 HD1 TYR 78 HD1 TYR 78 2.570 -11.940 -13.700 552 HD2 TYR 78 HD2 TYR 78 3.213 -11.530 -9.518 553 HE1 TYR 78 HE1 TYR 78 0.274 -11.100 -13.430 554 HE2 TYR 78 HE2 TYR 78 0.918 -10.690 -9.242 555 HH TYR 78 HH TYR 78 -1.431 -10.930 -11.670 556 HB2 TYR 78 HB2 TYR 78 4.427 -13.160 -12.460 557 HB3 TYR 78 HB1 TYR 78 4.811 -12.650 -10.820 558 H LEU 79 HN LEU 79 4.065 -9.196 -12.090 559 HA LEU 79 HA LEU 79 2.752 -9.109 -14.560 560 HG LEU 79 HG LEU 79 1.386 -8.753 -12.270 561 HB2 LEU 79 HB2 LEU 79 3.312 -7.091 -12.430 562 HB3 LEU 79 HB1 LEU 79 2.600 -6.568 -13.940 563 HD11 LEU 79 HD11 LEU 79 1.681 -6.257 -11.310 564 HD12 LEU 79 HD12 LEU 79 0.297 -7.290 -10.950 565 HD13 LEU 79 HD13 LEU 79 0.180 -6.068 -12.210 566 HD21 LEU 79 HD23 LEU 79 -0.570 -8.370 -13.560 567 HD22 LEU 79 HD21 LEU 79 0.773 -8.508 -14.690 568 HD23 LEU 79 HD22 LEU 79 0.118 -6.921 -14.290 569 H LYS 80 HN LYS 80 5.873 -7.884 -13.560 570 HA LYS 80 HA LYS 80 6.270 -6.396 -16.010 571 HB2 LYS 80 HB2 LYS 80 7.200 -5.821 -13.670 572 HB3 LYS 80 HB1 LYS 80 8.419 -7.041 -14.010 573 HG2 LYS 80 HG2 LYS 80 9.554 -5.280 -14.820 574 HG3 LYS 80 HG1 LYS 80 8.582 -5.584 -16.260 575 HD2 LYS 80 HD2 LYS 80 7.307 -3.735 -15.950 576 HD3 LYS 80 HD1 LYS 80 7.360 -3.861 -14.190 577 HE2 LYS 80 HE2 LYS 80 9.939 -3.280 -14.710 578 HE3 LYS 80 HE1 LYS 80 9.165 -2.452 -16.060 579 HZ1 LYS 80 HZ3 LYS 80 7.867 -1.165 -14.570 580 HZ2 LYS 80 HZ1 LYS 80 9.462 -1.086 -14.010 581 HZ3 LYS 80 HZ2 LYS 80 8.340 -2.085 -13.230 582 H ASN 81 HN ASN 81 7.320 -9.440 -14.590 583 HA ASN 81 HA ASN 81 9.262 -10.080 -16.540 584 HB2 ASN 81 HB2 ASN 81 7.801 -11.550 -14.400 585 HB3 ASN 81 HB1 ASN 81 8.539 -12.520 -15.680 586 HD21 ASN 81 HD21 ASN 81 10.842 -12.060 -16.130 587 HD22 ASN 81 HD22 ASN 81 11.866 -11.690 -14.790 Start of MODEL 5 1 H ASN 10 HN ASN 10 -2.349 13.203 5.324 2 HA ASN 10 HA ASN 10 -2.065 11.715 2.842 3 HB2 ASN 10 HB2 ASN 10 -0.219 11.946 5.229 4 HB3 ASN 10 HB1 ASN 10 0.168 11.122 3.721 5 HD21 ASN 10 HD21 ASN 10 0.098 14.076 5.380 6 HD22 ASN 10 HD22 ASN 10 0.604 15.094 4.079 7 H LEU 11 HN LEU 11 -2.767 11.163 6.220 8 HA LEU 11 HA LEU 11 -2.395 8.351 6.207 9 HG LEU 11 HG LEU 11 -4.400 7.447 8.003 10 HB2 LEU 11 HB2 LEU 11 -2.419 9.656 8.272 11 HB3 LEU 11 HB1 LEU 11 -4.097 10.085 7.997 12 HD11 LEU 11 HD11 LEU 11 -2.273 6.623 8.307 13 HD12 LEU 11 HD12 LEU 11 -2.869 6.679 9.966 14 HD13 LEU 11 HD13 LEU 11 -1.796 7.946 9.371 15 HD21 LEU 11 HD23 LEU 11 -4.610 7.721 10.595 16 HD22 LEU 11 HD21 LEU 11 -5.684 8.610 9.515 17 HD23 LEU 11 HD22 LEU 11 -4.293 9.419 10.239 18 H GLN 12 HN GLN 12 -5.254 10.413 5.801 19 HA GLN 12 HA GLN 12 -7.156 8.368 5.594 20 HB2 GLN 12 HB2 GLN 12 -7.569 10.861 5.857 21 HB3 GLN 12 HB1 GLN 12 -7.287 11.001 4.127 22 HG2 GLN 12 HG2 GLN 12 -9.123 9.115 4.023 23 HG3 GLN 12 HG1 GLN 12 -9.567 9.788 5.591 24 HE21 GLN 12 HE21 GLN 12 -11.540 10.497 4.750 25 HE22 GLN 12 HE22 GLN 12 -11.650 11.887 3.729 26 H LYS 13 HN LYS 13 -4.925 9.701 3.260 27 HA LYS 13 HA LYS 13 -6.160 8.514 0.969 28 HB2 LYS 13 HB2 LYS 13 -4.699 10.518 0.848 29 HB3 LYS 13 HB1 LYS 13 -3.327 9.517 1.300 30 HG2 LYS 13 HG2 LYS 13 -3.414 9.938 -1.107 31 HG3 LYS 13 HG1 LYS 13 -3.560 8.220 -0.729 32 HD2 LYS 13 HD2 LYS 13 -5.674 8.097 -1.515 33 HD3 LYS 13 HD1 LYS 13 -6.100 9.700 -0.913 34 HE2 LYS 13 HE2 LYS 13 -4.366 9.199 -3.326 35 HE3 LYS 13 HE1 LYS 13 -6.102 9.498 -3.401 36 HZ1 LYS 13 HZ3 LYS 13 -3.920 11.345 -2.810 37 HZ2 LYS 13 HZ1 LYS 13 -5.375 11.586 -1.980 38 HZ3 LYS 13 HZ2 LYS 13 -5.353 11.604 -3.671 39 H ALA 14 HN ALA 14 -3.731 7.538 3.284 40 HA ALA 14 HA ALA 14 -2.723 5.330 1.795 41 HB1 ALA 14 HB3 ALA 14 -2.624 5.418 4.778 42 HB2 ALA 14 HB1 ALA 14 -1.703 6.591 3.835 43 HB3 ALA 14 HB2 ALA 14 -1.406 4.865 3.628 44 H ILE 15 HN ILE 15 -5.327 5.755 4.113 45 HA ILE 15 HA ILE 15 -5.851 2.945 4.391 46 HB ILE 15 HB ILE 15 -7.705 5.219 5.091 47 HG12 ILE 15 HG12 ILE 15 -5.741 3.897 6.960 48 HG13 ILE 15 HG11 ILE 15 -5.348 5.367 6.075 49 HG21 ILE 15 HG21 ILE 15 -8.847 3.141 5.144 50 HG22 ILE 15 HG22 ILE 15 -8.475 3.558 6.816 51 HG23 ILE 15 HG23 ILE 15 -7.507 2.349 5.973 52 HD11 ILE 15 HD13 ILE 15 -7.757 5.164 7.849 53 HD12 ILE 15 HD11 ILE 15 -6.972 6.613 7.220 54 HD13 ILE 15 HD12 ILE 15 -6.168 5.638 8.451 55 H ASP 16 HN ASP 16 -7.165 5.605 2.490 56 HA ASP 16 HA ASP 16 -9.440 4.316 1.486 57 HB2 ASP 16 HB2 ASP 16 -8.716 6.798 1.303 58 HB3 ASP 16 HB1 ASP 16 -7.849 6.282 -0.140 59 H LEU 17 HN LEU 17 -6.131 4.484 0.219 60 HA LEU 17 HA LEU 17 -6.712 2.900 -2.088 61 HG LEU 17 HG LEU 17 -5.688 5.319 -2.294 62 HB2 LEU 17 HB2 LEU 17 -4.140 3.763 -0.781 63 HB3 LEU 17 HB1 LEU 17 -4.175 2.759 -2.218 64 HD11 LEU 17 HD11 LEU 17 -3.325 6.183 -3.204 65 HD12 LEU 17 HD12 LEU 17 -2.766 5.094 -1.935 66 HD13 LEU 17 HD13 LEU 17 -3.863 6.418 -1.541 67 HD21 LEU 17 HD23 LEU 17 -5.253 5.220 -4.584 68 HD22 LEU 17 HD21 LEU 17 -5.516 3.536 -4.131 69 HD23 LEU 17 HD22 LEU 17 -3.876 4.138 -4.371 70 H ALA 18 HN ALA 18 -5.431 2.264 1.127 71 HA ALA 18 HA ALA 18 -4.527 -0.354 0.725 72 HB1 ALA 18 HB3 ALA 18 -5.726 0.734 3.266 73 HB2 ALA 18 HB1 ALA 18 -4.077 1.056 2.731 74 HB3 ALA 18 HB2 ALA 18 -4.576 -0.594 3.106 75 H SER 19 HN SER 19 -7.703 0.833 1.794 76 HA SER 19 HA SER 19 -8.877 -1.724 2.077 77 HG SER 19 HG SER 19 -10.140 -1.074 3.749 78 HB2 SER 19 HB2 SER 19 -9.902 1.078 1.920 79 HB3 SER 19 HB1 SER 19 -11.040 -0.248 1.729 80 H LYS 20 HN LYS 20 -8.820 0.611 -0.583 81 HA LYS 20 HA LYS 20 -10.530 -0.863 -2.292 82 HB2 LYS 20 HB2 LYS 20 -9.601 1.651 -2.351 83 HB3 LYS 20 HB1 LYS 20 -8.478 0.912 -3.484 84 HG2 LYS 20 HG2 LYS 20 -11.480 0.860 -3.699 85 HG3 LYS 20 HG1 LYS 20 -10.390 1.892 -4.627 86 HD2 LYS 20 HD2 LYS 20 -9.305 -0.502 -5.165 87 HD3 LYS 20 HD1 LYS 20 -10.980 -0.993 -4.906 88 HE2 LYS 20 HE2 LYS 20 -10.230 1.282 -6.723 89 HE3 LYS 20 HE1 LYS 20 -10.290 -0.388 -7.286 90 HZ1 LYS 20 HZ3 LYS 20 -12.620 0.566 -5.834 91 HZ2 LYS 20 HZ1 LYS 20 -12.530 -0.428 -7.200 92 HZ3 LYS 20 HZ2 LYS 20 -12.370 1.248 -7.362 93 H ALA 21 HN ALA 21 -7.063 -0.825 -1.780 94 HA ALA 21 HA ALA 21 -6.357 -2.368 -4.047 95 HB1 ALA 21 HB3 ALA 21 -4.201 -2.546 -3.080 96 HB2 ALA 21 HB1 ALA 21 -4.827 -2.247 -1.459 97 HB3 ALA 21 HB2 ALA 21 -4.811 -0.948 -2.651 98 H ALA 22 HN ALA 22 -6.914 -3.245 -0.645 99 HA ALA 22 HA ALA 22 -6.381 -5.981 -0.884 100 HB1 ALA 22 HB3 ALA 22 -6.793 -4.488 1.214 101 HB2 ALA 22 HB1 ALA 22 -7.208 -6.202 1.256 102 HB3 ALA 22 HB2 ALA 22 -8.470 -4.995 1.008 103 H GLN 23 HN GLN 23 -9.238 -4.110 -1.634 104 HA GLN 23 HA GLN 23 -10.970 -6.375 -1.911 105 HB2 GLN 23 HB2 GLN 23 -11.160 -3.448 -2.437 106 HB3 GLN 23 HB1 GLN 23 -12.310 -4.508 -3.249 107 HG2 GLN 23 HG2 GLN 23 -12.760 -5.471 -0.914 108 HG3 GLN 23 HG1 GLN 23 -11.950 -4.021 -0.319 109 HE21 GLN 23 HE21 GLN 23 -14.330 -4.785 -2.847 110 HE22 GLN 23 HE22 GLN 23 -15.450 -3.549 -2.403 111 H GLU 24 HN GLU 24 -8.875 -4.538 -4.015 112 HA GLU 24 HA GLU 24 -9.899 -5.463 -6.484 113 HB2 GLU 24 HB2 GLU 24 -7.270 -4.281 -5.634 114 HB3 GLU 24 HB1 GLU 24 -7.511 -4.856 -7.278 115 HG2 GLU 24 HG2 GLU 24 -9.187 -2.764 -5.908 116 HG3 GLU 24 HG1 GLU 24 -7.883 -2.443 -7.051 117 H ASP 25 HN ASP 25 -7.075 -6.512 -4.579 118 HA ASP 25 HA ASP 25 -6.359 -8.655 -6.245 119 HB2 ASP 25 HB2 ASP 25 -5.047 -7.543 -4.302 120 HB3 ASP 25 HB1 ASP 25 -5.900 -8.690 -3.274 121 H LYS 26 HN LYS 26 -8.414 -8.534 -3.357 122 HA LYS 26 HA LYS 26 -8.957 -11.310 -3.290 123 HB2 LYS 26 HB2 LYS 26 -9.328 -9.353 -1.518 124 HB3 LYS 26 HB1 LYS 26 -10.940 -9.390 -2.203 125 HG2 LYS 26 HG2 LYS 26 -11.440 -11.390 -1.288 126 HG3 LYS 26 HG1 LYS 26 -9.786 -11.990 -1.434 127 HD2 LYS 26 HD2 LYS 26 -9.439 -10.030 0.389 128 HD3 LYS 26 HD1 LYS 26 -11.080 -10.520 0.768 129 HE2 LYS 26 HE2 LYS 26 -9.977 -12.930 0.581 130 HE3 LYS 26 HE1 LYS 26 -8.539 -12.020 1.028 131 HZ1 LYS 26 HZ3 LYS 26 -10.200 -11.080 2.825 132 HZ2 LYS 26 HZ1 LYS 26 -9.330 -12.510 3.081 133 HZ3 LYS 26 HZ2 LYS 26 -10.940 -12.580 2.585 134 H ALA 27 HN ALA 27 -10.410 -8.606 -4.948 135 HA ALA 27 HA ALA 27 -12.800 -9.975 -5.708 136 HB1 ALA 27 HB3 ALA 27 -12.900 -7.608 -5.615 137 HB2 ALA 27 HB1 ALA 27 -13.030 -8.050 -7.317 138 HB3 ALA 27 HB2 ALA 27 -11.510 -7.437 -6.680 139 H GLY 28 HN GLY 28 -9.706 -9.289 -7.289 140 HA2 GLY 28 HA2 GLY 28 -9.315 -11.520 -8.709 141 HA3 GLY 28 HA1 GLY 28 -10.520 -10.700 -9.691 142 H ASN 29 HN ASN 29 -9.473 -8.040 -8.992 143 HA ASN 29 HA ASN 29 -7.563 -7.838 -11.100 144 HB2 ASN 29 HB2 ASN 29 -8.425 -5.744 -9.099 145 HB3 ASN 29 HB1 ASN 29 -7.563 -5.443 -10.600 146 HD21 ASN 29 HD21 ASN 29 -9.726 -4.043 -10.380 147 HD22 ASN 29 HD22 ASN 29 -11.030 -4.678 -11.310 148 H TYR 30 HN TYR 30 -5.448 -8.138 -10.960 149 HA TYR 30 HA TYR 30 -4.173 -7.978 -8.322 150 HD1 TYR 30 HD1 TYR 30 -5.886 -9.987 -9.018 151 HD2 TYR 30 HD2 TYR 30 -1.855 -11.290 -8.646 152 HE1 TYR 30 HE1 TYR 30 -6.636 -11.890 -7.657 153 HE2 TYR 30 HE2 TYR 30 -2.593 -13.200 -7.285 154 HH TYR 30 HH TYR 30 -4.511 -13.810 -5.855 155 HB2 TYR 30 HB2 TYR 30 -3.575 -9.560 -10.790 156 HB3 TYR 30 HB1 TYR 30 -2.293 -9.230 -9.638 157 H GLU 31 HN GLU 31 -3.833 -6.971 -11.690 158 HA GLU 31 HA GLU 31 -1.402 -5.606 -11.460 159 HB2 GLU 31 HB2 GLU 31 -3.178 -6.113 -13.490 160 HB3 GLU 31 HB1 GLU 31 -3.349 -4.375 -13.280 161 HG2 GLU 31 HG2 GLU 31 -0.600 -5.462 -13.410 162 HG3 GLU 31 HG1 GLU 31 -1.547 -5.460 -14.900 163 H GLU 32 HN GLU 32 -4.720 -4.313 -11.290 164 HA GLU 32 HA GLU 32 -3.986 -1.679 -10.660 165 HB2 GLU 32 HB2 GLU 32 -6.271 -2.621 -11.410 166 HB3 GLU 32 HB1 GLU 32 -6.539 -2.950 -9.707 167 HG2 GLU 32 HG2 GLU 32 -7.456 -0.902 -9.751 168 HG3 GLU 32 HG1 GLU 32 -5.782 -0.387 -9.548 169 H ALA 33 HN ALA 33 -4.685 -4.477 -8.623 170 HA ALA 33 HA ALA 33 -4.678 -3.154 -6.144 171 HB1 ALA 33 HB3 ALA 33 -4.904 -5.211 -5.227 172 HB2 ALA 33 HB1 ALA 33 -3.637 -5.918 -6.230 173 HB3 ALA 33 HB2 ALA 33 -5.249 -5.659 -6.897 174 H LEU 34 HN LEU 34 -2.080 -4.504 -8.098 175 HA LEU 34 HA LEU 34 -0.021 -4.390 -6.204 176 HG LEU 34 HG LEU 34 2.219 -3.333 -8.123 177 HB2 LEU 34 HB2 LEU 34 0.210 -5.580 -8.312 178 HB3 LEU 34 HB1 LEU 34 0.097 -4.075 -9.203 179 HD11 LEU 34 HD11 LEU 34 2.602 -6.179 -7.268 180 HD12 LEU 34 HD12 LEU 34 1.889 -4.984 -6.184 181 HD13 LEU 34 HD13 LEU 34 3.521 -4.745 -6.809 182 HD21 LEU 34 HD23 LEU 34 1.873 -4.825 -10.320 183 HD22 LEU 34 HD21 LEU 34 2.915 -5.905 -9.397 184 HD23 LEU 34 HD22 LEU 34 3.453 -4.267 -9.771 185 H GLN 35 HN GLN 35 -1.020 -1.995 -8.639 186 HA GLN 35 HA GLN 35 0.890 -0.045 -7.899 187 HB2 GLN 35 HB2 GLN 35 -1.698 0.073 -9.430 188 HB3 GLN 35 HB1 GLN 35 -0.760 1.523 -9.099 189 HG2 GLN 35 HG2 GLN 35 1.140 0.596 -10.280 190 HG3 GLN 35 HG1 GLN 35 0.252 -0.901 -10.560 191 HE21 GLN 35 HE21 GLN 35 -1.529 -0.869 -11.990 192 HE22 GLN 35 HE22 GLN 35 -1.686 0.360 -13.200 193 H LEU 36 HN LEU 36 -2.316 -0.821 -6.744 194 HA LEU 36 HA LEU 36 -2.673 1.593 -5.251 195 HG LEU 36 HG LEU 36 -4.412 0.400 -7.176 196 HB2 LEU 36 HB2 LEU 36 -4.057 -1.084 -5.096 197 HB3 LEU 36 HB1 LEU 36 -4.544 0.328 -4.176 198 HD11 LEU 36 HD11 LEU 36 -6.737 -0.204 -7.285 199 HD12 LEU 36 HD12 LEU 36 -6.818 -0.365 -5.531 200 HD13 LEU 36 HD13 LEU 36 -5.846 -1.493 -6.476 201 HD21 LEU 36 HD23 LEU 36 -4.568 2.503 -5.821 202 HD22 LEU 36 HD21 LEU 36 -6.133 1.935 -5.239 203 HD23 LEU 36 HD22 LEU 36 -5.892 2.252 -6.958 204 H TYR 37 HN TYR 37 -1.565 -1.678 -4.504 205 HA TYR 37 HA TYR 37 -1.404 -1.417 -1.720 206 HD1 TYR 37 HD1 TYR 37 -2.365 -2.969 -0.900 207 HD2 TYR 37 HD2 TYR 37 -0.924 -5.137 -4.265 208 HE1 TYR 37 HE1 TYR 37 -4.265 -4.518 -0.708 209 HE2 TYR 37 HE2 TYR 37 -2.821 -6.691 -4.083 210 HH TYR 37 HH TYR 37 -5.498 -6.171 -2.679 211 HB2 TYR 37 HB2 TYR 37 0.110 -3.137 -3.679 212 HB3 TYR 37 HB1 TYR 37 0.371 -3.243 -1.942 213 H GLN 38 HN GLN 38 0.892 -0.599 -4.270 214 HA GLN 38 HA GLN 38 3.060 0.028 -2.560 215 HB2 GLN 38 HB2 GLN 38 2.430 0.935 -5.373 216 HB3 GLN 38 HB1 GLN 38 3.953 1.249 -4.553 217 HG2 GLN 38 HG2 GLN 38 4.470 -1.074 -4.463 218 HG3 GLN 38 HG1 GLN 38 2.861 -1.509 -5.036 219 HE21 GLN 38 HE21 GLN 38 4.049 -2.718 -6.656 220 HE22 GLN 38 HE22 GLN 38 4.602 -1.908 -8.077 221 H HIS 39 HN HIS 39 0.482 1.978 -4.001 222 HA HIS 39 HA HIS 39 1.397 4.493 -3.163 223 HD1 HIS 39 HD1 HIS 39 -2.158 5.621 -5.702 224 HD2 HIS 39 HD2 HIS 39 1.874 4.679 -5.350 225 HE1 HIS 39 HE1 HIS 39 -1.060 6.592 -7.745 226 HE2 HIS 39 HE2 HIS 39 1.364 5.935 -7.553 227 HB2 HIS 39 HB2 HIS 39 -1.225 3.371 -4.024 228 HB3 HIS 39 HB1 HIS 39 -1.234 4.932 -3.210 229 H ALA 40 HN ALA 40 -0.753 2.156 -1.588 230 HA ALA 40 HA ALA 40 -1.444 3.710 0.637 231 HB1 ALA 40 HB3 ALA 40 -1.169 0.710 0.493 232 HB2 ALA 40 HB1 ALA 40 -2.594 1.633 0.016 233 HB3 ALA 40 HB2 ALA 40 -2.076 1.619 1.702 234 H VAL 41 HN VAL 41 1.260 1.479 0.124 235 HA VAL 41 HA VAL 41 2.309 1.654 2.744 236 HB VAL 41 HB VAL 41 3.851 1.049 0.219 237 HG11 VAL 41 HG11 VAL 41 4.994 -0.481 2.063 238 HG12 VAL 41 HG12 VAL 41 4.404 0.799 3.124 239 HG13 VAL 41 HG13 VAL 41 5.492 1.189 1.791 240 HG21 VAL 41 HG23 VAL 41 1.636 -0.307 1.019 241 HG22 VAL 41 HG21 VAL 41 2.905 -1.186 1.871 242 HG23 VAL 41 HG22 VAL 41 2.974 -1.019 0.117 243 H GLN 42 HN GLN 42 2.751 3.580 -0.152 244 HA GLN 42 HA GLN 42 5.030 5.018 0.692 245 HB2 GLN 42 HB2 GLN 42 2.892 5.484 -1.356 246 HB3 GLN 42 HB1 GLN 42 4.045 6.761 -0.990 247 HG2 GLN 42 HG2 GLN 42 5.879 5.165 -1.510 248 HG3 GLN 42 HG1 GLN 42 4.657 4.006 -2.030 249 HE21 GLN 42 HE21 GLN 42 6.816 5.304 -3.530 250 HE22 GLN 42 HE22 GLN 42 6.052 6.103 -4.857 251 H TYR 43 HN TYR 43 1.564 5.812 0.822 252 HA TYR 43 HA TYR 43 1.935 8.282 2.171 253 HD1 TYR 43 HD2 TYR 43 0.584 9.910 0.872 254 HD2 TYR 43 HD1 TYR 43 -1.096 6.157 -0.218 255 HE1 TYR 43 HE2 TYR 43 0.254 10.731 -1.423 256 HE2 TYR 43 HE1 TYR 43 -1.430 6.967 -2.516 257 HH TYR 43 HH TYR 43 -1.099 10.264 -3.369 258 HB2 TYR 43 HB2 TYR 43 -0.513 6.514 1.984 259 HB3 TYR 43 HB1 TYR 43 -0.506 8.172 2.574 260 H PHE 44 HN PHE 44 1.314 4.984 3.244 261 HA PHE 44 HA PHE 44 0.777 5.544 5.944 262 HD1 PHE 44 HD2 PHE 44 -0.578 4.518 7.045 263 HD2 PHE 44 HD1 PHE 44 -0.086 1.783 3.822 264 HE1 PHE 44 HE2 PHE 44 -2.961 3.925 7.190 265 HE2 PHE 44 HE1 PHE 44 -2.469 1.185 3.961 266 HZ PHE 44 HZ PHE 44 -3.909 2.256 5.647 267 HB2 PHE 44 HB2 PHE 44 1.676 3.137 4.423 268 HB3 PHE 44 HB1 PHE 44 1.790 3.106 6.179 269 H LEU 45 HN LEU 45 3.819 4.431 4.445 270 HA LEU 45 HA LEU 45 5.399 4.679 6.744 271 HG LEU 45 HG LEU 45 5.211 2.683 4.396 272 HB2 LEU 45 HB2 LEU 45 6.193 4.878 3.838 273 HB3 LEU 45 HB1 LEU 45 7.320 4.701 5.170 274 HD11 LEU 45 HD11 LEU 45 6.813 2.563 2.710 275 HD12 LEU 45 HD12 LEU 45 7.328 1.335 3.866 276 HD13 LEU 45 HD13 LEU 45 8.143 2.898 3.818 277 HD21 LEU 45 HD23 LEU 45 7.265 2.783 6.579 278 HD22 LEU 45 HD21 LEU 45 6.654 1.249 5.958 279 HD23 LEU 45 HD22 LEU 45 5.545 2.409 6.690 280 H HIS 46 HN HIS 46 4.415 7.019 4.342 281 HA HIS 46 HA HIS 46 6.283 9.039 4.899 282 HD1 HIS 46 HD1 HIS 46 6.402 11.019 2.472 283 HD2 HIS 46 HD2 HIS 46 3.177 11.970 4.914 284 HE1 HIS 46 HE1 HIS 46 6.371 13.531 2.596 285 HE2 HIS 46 HE2 HIS 46 4.463 14.080 4.148 286 HB2 HIS 46 HB2 HIS 46 4.801 9.045 2.922 287 HB3 HIS 46 HB1 HIS 46 3.419 9.343 3.970 288 H VAL 47 HN VAL 47 3.254 8.157 6.442 289 HA VAL 47 HA VAL 47 3.185 10.484 8.131 290 HB VAL 47 HB VAL 47 1.643 7.908 8.463 291 HG11 VAL 47 HG11 VAL 47 0.435 8.922 10.072 292 HG12 VAL 47 HG12 VAL 47 0.496 10.494 9.276 293 HG13 VAL 47 HG13 VAL 47 1.869 9.937 10.231 294 HG21 VAL 47 HG23 VAL 47 0.185 8.514 6.863 295 HG22 VAL 47 HG21 VAL 47 1.523 9.488 6.255 296 HG23 VAL 47 HG22 VAL 47 0.288 10.226 7.275 297 H VAL 48 HN VAL 48 4.062 7.074 8.518 298 HA VAL 48 HA VAL 48 4.599 7.209 11.294 299 HB VAL 48 HB VAL 48 5.839 5.286 9.326 300 HG11 VAL 48 HG11 VAL 48 5.747 3.773 11.344 301 HG12 VAL 48 HG12 VAL 48 5.363 5.208 12.295 302 HG13 VAL 48 HG13 VAL 48 6.899 5.105 11.435 303 HG21 VAL 48 HG23 VAL 48 3.781 3.904 10.364 304 HG22 VAL 48 HG21 VAL 48 3.685 4.797 8.847 305 HG23 VAL 48 HG22 VAL 48 3.076 5.520 10.336 306 H LYS 49 HN LYS 49 6.608 7.646 8.423 307 HA LYS 49 HA LYS 49 9.063 7.869 9.857 308 HB2 LYS 49 HB2 LYS 49 8.551 7.384 7.301 309 HB3 LYS 49 HB1 LYS 49 8.717 9.130 7.176 310 HG2 LYS 49 HG2 LYS 49 10.828 7.568 8.582 311 HG3 LYS 49 HG1 LYS 49 10.774 7.565 6.818 312 HD2 LYS 49 HD2 LYS 49 10.598 10.173 8.246 313 HD3 LYS 49 HD1 LYS 49 12.167 9.370 8.145 314 HE2 LYS 49 HE2 LYS 49 11.333 9.143 5.587 315 HE3 LYS 49 HE1 LYS 49 10.550 10.656 6.042 316 HZ1 LYS 49 HZ3 LYS 49 12.980 10.614 5.104 317 HZ2 LYS 49 HZ1 LYS 49 13.377 10.302 6.720 318 HZ3 LYS 49 HZ2 LYS 49 12.534 11.711 6.312 319 H TYR 50 HN TYR 50 6.588 10.114 8.821 320 HA TYR 50 HA TYR 50 8.177 12.434 9.534 321 HD1 TYR 50 HD2 TYR 50 7.735 11.058 6.996 322 HD2 TYR 50 HD1 TYR 50 6.274 15.044 7.275 323 HE1 TYR 50 HE2 TYR 50 8.815 11.598 4.854 324 HE2 TYR 50 HE1 TYR 50 7.349 15.595 5.133 325 HH TYR 50 HH TYR 50 9.411 14.617 3.803 326 HB2 TYR 50 HB2 TYR 50 5.427 12.030 8.397 327 HB3 TYR 50 HB1 TYR 50 5.905 13.598 9.038 328 H GLU 51 HN GLU 51 4.889 11.433 10.483 329 HA GLU 51 HA GLU 51 5.462 11.502 13.270 330 HB2 GLU 51 HB2 GLU 51 3.866 13.451 13.718 331 HB3 GLU 51 HB1 GLU 51 5.481 13.850 13.146 332 HG2 GLU 51 HG2 GLU 51 4.632 14.184 10.901 333 HG3 GLU 51 HG1 GLU 51 3.016 13.712 11.424 334 H ALA 52 HN ALA 52 4.387 9.579 13.419 335 HA ALA 52 HA ALA 52 1.886 9.026 12.230 336 HB1 ALA 52 HB3 ALA 52 3.725 7.457 13.290 337 HB2 ALA 52 HB1 ALA 52 2.032 6.969 13.213 338 HB3 ALA 52 HB2 ALA 52 2.697 7.610 14.715 339 H GLN 53 HN GLN 53 0.246 8.001 14.134 340 HA GLN 53 HA GLN 53 -0.827 10.419 15.333 341 HB2 GLN 53 HB2 GLN 53 -1.938 7.614 15.145 342 HB3 GLN 53 HB1 GLN 53 -2.792 8.979 15.850 343 HG2 GLN 53 HG2 GLN 53 -3.679 9.080 13.781 344 HG3 GLN 53 HG1 GLN 53 -2.232 10.039 13.475 345 HE21 GLN 53 HE21 GLN 53 -3.267 6.644 13.507 346 HE22 GLN 53 HE22 GLN 53 -2.414 6.192 12.075 347 H GLY 54 HN GLY 54 0.400 7.262 16.341 348 HA2 GLY 54 HA2 GLY 54 1.246 8.265 18.865 349 HA3 GLY 54 HA1 GLY 54 -0.225 7.320 19.038 350 H ASP 55 HN ASP 55 1.601 6.236 20.428 351 HA ASP 55 HA ASP 55 3.563 4.659 19.198 352 HB2 ASP 55 HB2 ASP 55 3.404 3.282 21.332 353 HB3 ASP 55 HB1 ASP 55 3.737 4.999 21.541 354 H LYS 56 HN LYS 56 0.269 3.805 20.243 355 HA LYS 56 HA LYS 56 0.393 1.143 19.263 356 HB2 LYS 56 HB2 LYS 56 -1.217 2.178 21.006 357 HB3 LYS 56 HB1 LYS 56 -2.164 2.683 19.614 358 HG2 LYS 56 HG2 LYS 56 -1.823 0.092 19.009 359 HG3 LYS 56 HG1 LYS 56 -1.770 0.002 20.770 360 HD2 LYS 56 HD2 LYS 56 -3.903 1.391 20.748 361 HD3 LYS 56 HD1 LYS 56 -3.984 1.042 19.020 362 HE2 LYS 56 HE2 LYS 56 -4.203 -1.277 19.398 363 HE3 LYS 56 HE1 LYS 56 -3.729 -1.123 21.089 364 HZ1 LYS 56 HZ3 LYS 56 -5.782 0.087 21.510 365 HZ2 LYS 56 HZ1 LYS 56 -6.107 -1.447 20.874 366 HZ3 LYS 56 HZ2 LYS 56 -6.237 -0.077 19.890 367 H ALA 57 HN ALA 57 -0.544 4.209 17.864 368 HA ALA 57 HA ALA 57 -1.897 3.205 15.596 369 HB1 ALA 57 HB3 ALA 57 -0.436 5.752 15.305 370 HB2 ALA 57 HB1 ALA 57 -1.586 5.664 16.639 371 HB3 ALA 57 HB2 ALA 57 -2.128 5.368 14.988 372 H LYS 58 HN LYS 58 1.481 4.137 16.142 373 HA LYS 58 HA LYS 58 2.397 3.780 13.518 374 HB2 LYS 58 HB2 LYS 58 3.880 3.439 16.131 375 HB3 LYS 58 HB1 LYS 58 4.643 3.545 14.551 376 HG2 LYS 58 HG2 LYS 58 4.232 5.785 14.346 377 HG3 LYS 58 HG1 LYS 58 2.815 5.733 15.397 378 HD2 LYS 58 HD2 LYS 58 4.375 5.280 17.312 379 HD3 LYS 58 HD1 LYS 58 5.714 5.608 16.210 380 HE2 LYS 58 HE2 LYS 58 5.004 7.856 15.888 381 HE3 LYS 58 HE1 LYS 58 3.474 7.555 16.711 382 HZ1 LYS 58 HZ3 LYS 58 6.126 8.021 17.830 383 HZ2 LYS 58 HZ1 LYS 58 5.139 6.915 18.647 384 HZ3 LYS 58 HZ2 LYS 58 4.610 8.503 18.403 385 H GLN 59 HN GLN 59 2.252 1.513 16.243 386 HA GLN 59 HA GLN 59 3.504 -0.656 14.995 387 HB2 GLN 59 HB2 GLN 59 2.391 -0.170 17.472 388 HB3 GLN 59 HB1 GLN 59 1.331 -1.405 16.808 389 HG2 GLN 59 HG2 GLN 59 4.187 -1.945 16.459 390 HG3 GLN 59 HG1 GLN 59 3.649 -1.881 18.137 391 HE21 GLN 59 HE21 GLN 59 3.947 -4.068 18.468 392 HE22 GLN 59 HE22 GLN 59 2.920 -5.266 17.765 393 H SER 60 HN SER 60 0.210 0.520 14.836 394 HA SER 60 HA SER 60 -0.938 -1.771 13.633 395 HG SER 60 HG SER 60 -3.384 -1.309 13.561 396 HB2 SER 60 HB2 SER 60 -2.182 0.142 14.745 397 HB3 SER 60 HB1 SER 60 -1.886 1.076 13.278 398 H ILE 61 HN ILE 61 0.510 1.175 12.316 399 HA ILE 61 HA ILE 61 -0.053 0.528 9.594 400 HB ILE 61 HB ILE 61 2.075 2.411 10.606 401 HG12 ILE 61 HG12 ILE 61 -0.842 2.970 10.024 402 HG13 ILE 61 HG11 ILE 61 -0.105 2.942 11.622 403 HG21 ILE 61 HG21 ILE 61 2.266 3.196 8.495 404 HG22 ILE 61 HG22 ILE 61 0.563 2.929 8.125 405 HG23 ILE 61 HG23 ILE 61 1.696 1.578 8.085 406 HD11 ILE 61 HD13 ILE 61 0.919 4.955 11.333 407 HD12 ILE 61 HD11 ILE 61 -0.510 5.190 10.328 408 HD13 ILE 61 HD12 ILE 61 1.033 4.773 9.583 409 H ARG 62 HN ARG 62 2.634 -0.041 11.777 410 HA ARG 62 HA ARG 62 4.578 -0.789 9.905 411 HE ARG 62 HE ARG 62 7.534 -2.021 12.025 412 HB2 ARG 62 HB2 ARG 62 4.122 -1.389 12.801 413 HB3 ARG 62 HB1 ARG 62 5.377 -2.261 11.932 414 HG2 ARG 62 HG2 ARG 62 6.265 0.015 11.236 415 HG3 ARG 62 HG1 ARG 62 5.179 0.687 12.455 416 HD2 ARG 62 HD2 ARG 62 7.285 0.430 13.503 417 HD3 ARG 62 HD1 ARG 62 6.262 -0.871 14.112 418 HH11 ARG 62 HH11 ARG 62 8.659 -0.227 14.798 419 HH12 ARG 62 HH12 ARG 62 10.175 -1.060 14.879 420 HH21 ARG 62 HH21 ARG 62 9.527 -3.118 12.129 421 HH22 ARG 62 HH22 ARG 62 10.668 -2.701 13.363 422 H ALA 63 HN ALA 63 2.131 -2.724 11.592 423 HA ALA 63 HA ALA 63 2.926 -5.205 10.465 424 HB1 ALA 63 HB3 ALA 63 1.630 -5.044 12.541 425 HB2 ALA 63 HB1 ALA 63 0.830 -6.067 11.347 426 HB3 ALA 63 HB2 ALA 63 0.255 -4.423 11.628 427 H LYS 64 HN LYS 64 0.652 -2.705 9.501 428 HA LYS 64 HA LYS 64 -0.544 -4.232 7.400 429 HB2 LYS 64 HB2 LYS 64 -0.528 -1.262 7.960 430 HB3 LYS 64 HB1 LYS 64 -1.476 -2.021 6.688 431 HG2 LYS 64 HG2 LYS 64 -2.997 -2.867 8.133 432 HG3 LYS 64 HG1 LYS 64 -1.810 -3.103 9.418 433 HD2 LYS 64 HD2 LYS 64 -3.095 -1.375 10.261 434 HD3 LYS 64 HD1 LYS 64 -1.768 -0.503 9.492 435 HE2 LYS 64 HE2 LYS 64 -3.583 0.662 8.696 436 HE3 LYS 64 HE1 LYS 64 -3.349 -0.524 7.412 437 HZ1 LYS 64 HZ3 LYS 64 -5.164 -1.129 9.648 438 HZ2 LYS 64 HZ1 LYS 64 -5.184 -1.722 8.064 439 HZ3 LYS 64 HZ2 LYS 64 -5.697 -0.142 8.382 440 H CYS 65 HN CYS 65 1.990 -1.767 7.568 441 HA CYS 65 HA CYS 65 2.418 -1.462 4.818 442 HG CYS 65 HG CYS 65 4.119 1.416 5.694 443 HB2 CYS 65 HB2 CYS 65 4.034 -0.955 7.273 444 HB3 CYS 65 HB1 CYS 65 4.859 -0.925 5.719 445 H THR 66 HN THR 66 3.502 -3.899 7.074 446 HA THR 66 HA THR 66 5.396 -5.050 5.218 447 HB THR 66 HB THR 66 5.841 -5.133 7.625 448 HG1 THR 66 HG1 THR 66 5.350 -7.679 6.479 449 HG21 THR 66 HG23 THR 66 4.574 -6.781 9.013 450 HG22 THR 66 HG21 THR 66 3.339 -6.787 7.754 451 HG23 THR 66 HG22 THR 66 3.704 -5.297 8.625 452 H GLU 67 HN GLU 67 2.098 -5.585 6.241 453 HA GLU 67 HA GLU 67 1.821 -8.177 5.089 454 HB2 GLU 67 HB2 GLU 67 0.337 -7.375 6.873 455 HB3 GLU 67 HB1 GLU 67 -0.289 -6.131 5.801 456 HG2 GLU 67 HG2 GLU 67 -1.557 -7.594 4.608 457 HG3 GLU 67 HG1 GLU 67 -0.467 -8.949 4.898 458 H TYR 68 HN TYR 68 0.876 -4.918 4.027 459 HA TYR 68 HA TYR 68 -0.212 -5.752 1.548 460 HD1 TYR 68 HD1 TYR 68 -2.215 -5.076 1.707 461 HD2 TYR 68 HD2 TYR 68 -0.503 -1.820 3.843 462 HE1 TYR 68 HE1 TYR 68 -4.339 -4.752 2.902 463 HE2 TYR 68 HE2 TYR 68 -2.622 -1.486 5.045 464 HH TYR 68 HH TYR 68 -5.300 -2.216 4.291 465 HB2 TYR 68 HB2 TYR 68 0.844 -3.059 2.431 466 HB3 TYR 68 HB1 TYR 68 -0.042 -3.339 0.935 467 H LEU 69 HN LEU 69 2.983 -4.594 2.520 468 HA LEU 69 HA LEU 69 4.118 -4.374 -0.031 469 HG LEU 69 HG LEU 69 4.691 -2.461 1.914 470 HB2 LEU 69 HB2 LEU 69 5.192 -4.752 2.725 471 HB3 LEU 69 HB1 LEU 69 6.281 -4.969 1.369 472 HD11 LEU 69 HD11 LEU 69 6.609 -1.491 2.808 473 HD12 LEU 69 HD12 LEU 69 7.660 -2.761 2.181 474 HD13 LEU 69 HD13 LEU 69 6.578 -3.099 3.532 475 HD21 LEU 69 HD23 LEU 69 6.456 -3.359 -0.290 476 HD22 LEU 69 HD21 LEU 69 6.624 -1.690 0.254 477 HD23 LEU 69 HD22 LEU 69 5.063 -2.278 -0.319 478 H ASP 70 HN ASP 70 3.719 -7.135 2.109 479 HA ASP 70 HA ASP 70 5.375 -8.924 0.667 480 HB2 ASP 70 HB2 ASP 70 4.273 -9.071 3.078 481 HB3 ASP 70 HB1 ASP 70 3.022 -9.939 2.195 482 H ARG 71 HN ARG 71 1.899 -8.248 0.575 483 HA ARG 71 HA ARG 71 1.258 -10.240 -1.324 484 HE ARG 71 HE ARG 71 -3.195 -11.160 -3.002 485 HB2 ARG 71 HB2 ARG 71 -0.428 -9.209 0.128 486 HB3 ARG 71 HB1 ARG 71 -0.184 -7.667 -0.681 487 HG2 ARG 71 HG2 ARG 71 -2.084 -8.452 -1.707 488 HG3 ARG 71 HG1 ARG 71 -0.825 -8.984 -2.824 489 HD2 ARG 71 HD2 ARG 71 -1.040 -11.190 -2.232 490 HD3 ARG 71 HD1 ARG 71 -1.638 -10.800 -0.617 491 HH11 ARG 71 HH11 ARG 71 -3.099 -9.645 0.140 492 HH12 ARG 71 HH12 ARG 71 -4.822 -9.540 0.280 493 HH21 ARG 71 HH21 ARG 71 -5.461 -11.020 -2.819 494 HH22 ARG 71 HH22 ARG 71 -6.163 -10.320 -1.400 495 H ALA 72 HN ALA 72 1.770 -6.738 -1.667 496 HA ALA 72 HA ALA 72 1.433 -6.608 -4.442 497 HB1 ALA 72 HB3 ALA 72 3.264 -4.843 -2.829 498 HB2 ALA 72 HB1 ALA 72 1.509 -4.672 -2.848 499 HB3 ALA 72 HB2 ALA 72 2.432 -4.451 -4.334 500 H GLU 73 HN GLU 73 4.289 -7.289 -2.484 501 HA GLU 73 HA GLU 73 6.211 -7.188 -4.520 502 HB2 GLU 73 HB2 GLU 73 6.043 -8.506 -1.846 503 HB3 GLU 73 HB1 GLU 73 7.348 -8.971 -2.929 504 HG2 GLU 73 HG2 GLU 73 6.983 -6.081 -2.653 505 HG3 GLU 73 HG1 GLU 73 7.434 -6.909 -1.163 506 H LYS 74 HN LYS 74 4.046 -9.760 -3.484 507 HA LYS 74 HA LYS 74 5.236 -11.780 -5.098 508 HB2 LYS 74 HB2 LYS 74 2.758 -11.520 -3.470 509 HB3 LYS 74 HB1 LYS 74 2.793 -12.780 -4.697 510 HG2 LYS 74 HG2 LYS 74 4.757 -13.760 -3.690 511 HG3 LYS 74 HG1 LYS 74 4.836 -12.450 -2.509 512 HD2 LYS 74 HD2 LYS 74 3.026 -13.230 -1.324 513 HD3 LYS 74 HD1 LYS 74 2.326 -14.040 -2.724 514 HE2 LYS 74 HE2 LYS 74 4.942 -15.050 -1.801 515 HE3 LYS 74 HE1 LYS 74 3.580 -15.320 -0.714 516 HZ1 LYS 74 HZ3 LYS 74 3.153 -15.950 -3.526 517 HZ2 LYS 74 HZ1 LYS 74 2.611 -16.760 -2.141 518 HZ3 LYS 74 HZ2 LYS 74 4.199 -16.970 -2.680 519 H LEU 75 HN LEU 75 2.424 -9.663 -5.473 520 HA LEU 75 HA LEU 75 1.456 -10.700 -7.876 521 HG LEU 75 HG LEU 75 -0.911 -9.848 -7.639 522 HB2 LEU 75 HB2 LEU 75 1.246 -8.084 -6.477 523 HB3 LEU 75 HB1 LEU 75 0.743 -8.154 -8.155 524 HD11 LEU 75 HD11 LEU 75 -0.164 -9.615 -4.739 525 HD12 LEU 75 HD12 LEU 75 0.492 -10.870 -5.789 526 HD13 LEU 75 HD13 LEU 75 -1.247 -10.770 -5.506 527 HD21 LEU 75 HD23 LEU 75 -2.444 -8.417 -6.766 528 HD22 LEU 75 HD21 LEU 75 -1.150 -7.259 -7.075 529 HD23 LEU 75 HD22 LEU 75 -1.385 -7.907 -5.452 530 H LYS 76 HN LYS 76 3.678 -7.967 -7.353 531 HA LYS 76 HA LYS 76 4.153 -7.443 -10.070 532 HB2 LYS 76 HB2 LYS 76 6.072 -6.148 -9.315 533 HB3 LYS 76 HB1 LYS 76 4.683 -5.848 -8.279 534 HG2 LYS 76 HG2 LYS 76 5.614 -7.447 -6.638 535 HG3 LYS 76 HG1 LYS 76 7.044 -7.609 -7.660 536 HD2 LYS 76 HD2 LYS 76 6.933 -4.931 -7.446 537 HD3 LYS 76 HD1 LYS 76 6.200 -5.385 -5.906 538 HE2 LYS 76 HE2 LYS 76 8.141 -6.774 -5.386 539 HE3 LYS 76 HE1 LYS 76 8.869 -6.345 -6.934 540 HZ1 LYS 76 HZ3 LYS 76 8.542 -3.938 -6.029 541 HZ2 LYS 76 HZ1 LYS 76 9.874 -4.860 -5.540 542 HZ3 LYS 76 HZ2 LYS 76 8.532 -4.708 -4.523 543 H GLU 77 HN GLU 77 5.467 -9.797 -7.882 544 HA GLU 77 HA GLU 77 7.860 -10.430 -9.156 545 HB2 GLU 77 HB2 GLU 77 6.806 -11.290 -6.921 546 HB3 GLU 77 HB1 GLU 77 6.147 -12.570 -7.935 547 HG2 GLU 77 HG2 GLU 77 8.126 -13.590 -8.158 548 HG3 GLU 77 HG1 GLU 77 9.011 -12.070 -8.303 549 H TYR 78 HN TYR 78 4.677 -12.000 -9.561 550 HA TYR 78 HA TYR 78 5.602 -13.500 -11.830 551 HD1 TYR 78 HD2 TYR 78 2.002 -12.970 -13.140 552 HD2 TYR 78 HD1 TYR 78 2.244 -12.960 -8.895 553 HE1 TYR 78 HE2 TYR 78 -0.160 -11.800 -13.020 554 HE2 TYR 78 HE1 TYR 78 0.080 -11.790 -8.771 555 HH TYR 78 HH TYR 78 -1.269 -10.160 -11.090 556 HB2 TYR 78 HB2 TYR 78 3.510 -14.560 -11.830 557 HB3 TYR 78 HB1 TYR 78 3.800 -14.200 -10.130 558 H LEU 79 HN LEU 79 3.803 -10.550 -11.290 559 HA LEU 79 HA LEU 79 2.840 -10.240 -13.940 560 HG LEU 79 HG LEU 79 1.296 -9.831 -11.490 561 HB2 LEU 79 HB2 LEU 79 3.254 -8.338 -11.660 562 HB3 LEU 79 HB1 LEU 79 2.681 -7.785 -13.220 563 HD11 LEU 79 HD11 LEU 79 1.411 -7.192 -10.970 564 HD12 LEU 79 HD12 LEU 79 0.015 -8.205 -10.600 565 HD13 LEU 79 HD13 LEU 79 0.037 -7.238 -12.080 566 HD21 LEU 79 HD23 LEU 79 0.512 -8.540 -14.090 567 HD22 LEU 79 HD21 LEU 79 -0.572 -9.494 -13.080 568 HD23 LEU 79 HD22 LEU 79 0.846 -10.240 -13.810 569 H LYS 80 HN LYS 80 5.808 -9.324 -12.310 570 HA LYS 80 HA LYS 80 6.756 -7.767 -14.560 571 HB2 LYS 80 HB2 LYS 80 7.289 -7.285 -12.120 572 HB3 LYS 80 HB1 LYS 80 8.358 -8.680 -12.170 573 HG2 LYS 80 HG2 LYS 80 9.914 -7.619 -13.430 574 HG3 LYS 80 HG1 LYS 80 8.719 -6.631 -14.270 575 HD2 LYS 80 HD2 LYS 80 8.467 -5.215 -12.330 576 HD3 LYS 80 HD1 LYS 80 9.563 -6.244 -11.400 577 HE2 LYS 80 HE2 LYS 80 11.411 -5.639 -12.790 578 HE3 LYS 80 HE1 LYS 80 10.355 -4.800 -13.930 579 HZ1 LYS 80 HZ3 LYS 80 11.225 -3.090 -12.680 580 HZ2 LYS 80 HZ1 LYS 80 11.207 -3.972 -11.230 581 HZ3 LYS 80 HZ2 LYS 80 9.762 -3.377 -11.880 582 H ASN 81 HN ASN 81 7.173 -10.980 -13.250 583 HA ASN 81 HA ASN 81 9.441 -11.690 -14.810 584 HB2 ASN 81 HB2 ASN 81 8.745 -12.870 -12.730 585 HB3 ASN 81 HB1 ASN 81 7.361 -13.520 -13.600 586 HD21 ASN 81 HD21 ASN 81 9.513 -14.950 -12.330 587 HD22 ASN 81 HD22 ASN 81 10.283 -15.890 -13.560 Start of MODEL 6 1 H ASN 10 HN ASN 10 -2.499 12.929 3.939 2 HA ASN 10 HA ASN 10 -2.296 11.284 1.578 3 HB2 ASN 10 HB2 ASN 10 -0.419 11.726 3.907 4 HB3 ASN 10 HB1 ASN 10 -0.041 10.709 2.519 5 HD21 ASN 10 HD21 ASN 10 -0.264 13.900 3.738 6 HD22 ASN 10 HD22 ASN 10 0.297 14.720 2.325 7 H LEU 11 HN LEU 11 -2.883 10.834 4.998 8 HA LEU 11 HA LEU 11 -2.531 7.998 4.982 9 HG LEU 11 HG LEU 11 -4.204 7.091 7.030 10 HB2 LEU 11 HB2 LEU 11 -2.315 9.404 7.013 11 HB3 LEU 11 HB1 LEU 11 -4.037 9.724 6.949 12 HD11 LEU 11 HD11 LEU 11 -2.443 6.146 8.468 13 HD12 LEU 11 HD12 LEU 11 -1.537 7.651 8.318 14 HD13 LEU 11 HD13 LEU 11 -1.830 6.653 6.894 15 HD21 LEU 11 HD23 LEU 11 -4.077 7.331 9.598 16 HD22 LEU 11 HD21 LEU 11 -5.265 8.288 8.712 17 HD23 LEU 11 HD22 LEU 11 -3.765 9.034 9.264 18 H GLN 12 HN GLN 12 -5.256 10.181 4.570 19 HA GLN 12 HA GLN 12 -7.335 8.315 4.772 20 HB2 GLN 12 HB2 GLN 12 -7.565 10.821 4.705 21 HB3 GLN 12 HB1 GLN 12 -7.295 10.738 2.969 22 HG2 GLN 12 HG2 GLN 12 -9.292 8.965 3.196 23 HG3 GLN 12 HG1 GLN 12 -9.669 10.019 4.558 24 HE21 GLN 12 HE21 GLN 12 -11.500 10.862 3.647 25 HE22 GLN 12 HE22 GLN 12 -11.480 11.928 2.287 26 H LYS 13 HN LYS 13 -5.330 9.274 2.029 27 HA LYS 13 HA LYS 13 -6.767 7.727 0.110 28 HB2 LYS 13 HB2 LYS 13 -4.991 9.734 -0.108 29 HB3 LYS 13 HB1 LYS 13 -3.913 8.371 -0.376 30 HG2 LYS 13 HG2 LYS 13 -5.907 7.687 -2.029 31 HG3 LYS 13 HG1 LYS 13 -6.073 9.444 -2.070 32 HD2 LYS 13 HD2 LYS 13 -3.390 9.181 -2.328 33 HD3 LYS 13 HD1 LYS 13 -3.944 7.714 -3.138 34 HE2 LYS 13 HE2 LYS 13 -5.634 9.462 -4.238 35 HE3 LYS 13 HE1 LYS 13 -4.298 10.559 -3.891 36 HZ1 LYS 13 HZ3 LYS 13 -4.009 9.691 -6.073 37 HZ2 LYS 13 HZ1 LYS 13 -4.207 8.096 -5.543 38 HZ3 LYS 13 HZ2 LYS 13 -2.835 8.974 -5.089 39 H ALA 14 HN ALA 14 -3.997 7.157 2.189 40 HA ALA 14 HA ALA 14 -3.025 4.813 1.007 41 HB1 ALA 14 HB3 ALA 14 -1.876 4.411 3.067 42 HB2 ALA 14 HB1 ALA 14 -2.989 5.455 3.951 43 HB3 ALA 14 HB2 ALA 14 -1.876 6.149 2.772 44 H ILE 15 HN ILE 15 -5.618 5.334 3.335 45 HA ILE 15 HA ILE 15 -6.064 2.533 3.791 46 HB ILE 15 HB ILE 15 -7.958 4.800 4.401 47 HG12 ILE 15 HG12 ILE 15 -5.918 3.639 6.296 48 HG13 ILE 15 HG11 ILE 15 -5.584 5.064 5.317 49 HG21 ILE 15 HG21 ILE 15 -8.942 3.340 5.985 50 HG22 ILE 15 HG22 ILE 15 -7.639 2.164 5.814 51 HG23 ILE 15 HG23 ILE 15 -8.777 2.418 4.491 52 HD11 ILE 15 HD13 ILE 15 -7.664 4.753 7.461 53 HD12 ILE 15 HD11 ILE 15 -7.596 6.129 6.360 54 HD13 ILE 15 HD12 ILE 15 -6.253 5.812 7.458 55 H ASP 16 HN ASP 16 -7.320 4.982 1.637 56 HA ASP 16 HA ASP 16 -9.618 3.528 0.792 57 HB2 ASP 16 HB2 ASP 16 -8.913 6.091 0.527 58 HB3 ASP 16 HB1 ASP 16 -8.344 5.505 -1.034 59 H LEU 17 HN LEU 17 -6.353 3.943 -0.528 60 HA LEU 17 HA LEU 17 -6.785 2.393 -2.858 61 HG LEU 17 HG LEU 17 -5.704 4.913 -2.566 62 HB2 LEU 17 HB2 LEU 17 -4.225 3.034 -1.391 63 HB3 LEU 17 HB1 LEU 17 -4.310 2.319 -2.990 64 HD11 LEU 17 HD11 LEU 17 -3.311 5.827 -3.333 65 HD12 LEU 17 HD12 LEU 17 -2.792 4.492 -2.304 66 HD13 LEU 17 HD13 LEU 17 -3.822 5.764 -1.646 67 HD21 LEU 17 HD23 LEU 17 -4.795 5.263 -4.876 68 HD22 LEU 17 HD21 LEU 17 -5.910 3.907 -4.714 69 HD23 LEU 17 HD22 LEU 17 -4.174 3.614 -4.811 70 H ALA 18 HN ALA 18 -5.530 1.621 0.356 71 HA ALA 18 HA ALA 18 -4.758 -1.030 -0.184 72 HB1 ALA 18 HB3 ALA 18 -5.281 -1.200 2.413 73 HB2 ALA 18 HB1 ALA 18 -5.316 0.556 2.260 74 HB3 ALA 18 HB2 ALA 18 -3.871 -0.340 1.795 75 H SER 19 HN SER 19 -7.781 0.297 1.135 76 HA SER 19 HA SER 19 -9.098 -2.144 1.527 77 HG SER 19 HG SER 19 -11.840 -1.366 1.764 78 HB2 SER 19 HB2 SER 19 -9.711 0.426 2.087 79 HB3 SER 19 HB1 SER 19 -10.750 0.168 0.689 80 H LYS 20 HN LYS 20 -8.972 -0.001 -1.288 81 HA LYS 20 HA LYS 20 -10.780 -1.537 -2.854 82 HB2 LYS 20 HB2 LYS 20 -9.821 0.962 -3.080 83 HB3 LYS 20 HB1 LYS 20 -8.756 0.142 -4.214 84 HG2 LYS 20 HG2 LYS 20 -10.600 -0.589 -5.535 85 HG3 LYS 20 HG1 LYS 20 -11.750 -0.032 -4.324 86 HD2 LYS 20 HD2 LYS 20 -11.850 1.728 -5.775 87 HD3 LYS 20 HD1 LYS 20 -10.530 2.276 -4.744 88 HE2 LYS 20 HE2 LYS 20 -8.912 1.397 -6.343 89 HE3 LYS 20 HE1 LYS 20 -10.220 0.814 -7.365 90 HZ1 LYS 20 HZ3 LYS 20 -9.202 3.509 -7.018 91 HZ2 LYS 20 HZ1 LYS 20 -10.880 3.376 -7.137 92 HZ3 LYS 20 HZ2 LYS 20 -9.899 2.782 -8.376 93 H ALA 21 HN ALA 21 -7.286 -1.458 -2.502 94 HA ALA 21 HA ALA 21 -6.644 -3.124 -4.678 95 HB1 ALA 21 HB3 ALA 21 -4.479 -3.298 -3.736 96 HB2 ALA 21 HB1 ALA 21 -5.078 -2.946 -2.115 97 HB3 ALA 21 HB2 ALA 21 -5.061 -1.680 -3.343 98 H ALA 22 HN ALA 22 -7.203 -3.867 -1.247 99 HA ALA 22 HA ALA 22 -6.702 -6.617 -1.381 100 HB1 ALA 22 HB3 ALA 22 -8.406 -4.970 0.466 101 HB2 ALA 22 HB1 ALA 22 -6.803 -5.643 0.759 102 HB3 ALA 22 HB2 ALA 22 -8.204 -6.710 0.665 103 H GLN 23 HN GLN 23 -9.646 -4.765 -1.976 104 HA GLN 23 HA GLN 23 -11.320 -7.049 -2.282 105 HB2 GLN 23 HB2 GLN 23 -11.590 -4.118 -2.767 106 HB3 GLN 23 HB1 GLN 23 -12.750 -5.194 -3.539 107 HG2 GLN 23 HG2 GLN 23 -12.950 -6.177 -1.106 108 HG3 GLN 23 HG1 GLN 23 -12.350 -4.578 -0.661 109 HE21 GLN 23 HE21 GLN 23 -14.550 -4.674 0.386 110 HE22 GLN 23 HE22 GLN 23 -15.880 -4.061 -0.539 111 H GLU 24 HN GLU 24 -9.327 -5.144 -4.418 112 HA GLU 24 HA GLU 24 -10.410 -6.102 -6.861 113 HB2 GLU 24 HB2 GLU 24 -7.766 -4.836 -6.176 114 HB3 GLU 24 HB1 GLU 24 -8.220 -5.276 -7.816 115 HG2 GLU 24 HG2 GLU 24 -10.080 -3.573 -6.259 116 HG3 GLU 24 HG1 GLU 24 -8.598 -2.848 -6.867 117 H ASP 25 HN ASP 25 -7.453 -6.956 -5.078 118 HA ASP 25 HA ASP 25 -6.637 -9.029 -6.776 119 HB2 ASP 25 HB2 ASP 25 -5.214 -7.964 -5.029 120 HB3 ASP 25 HB1 ASP 25 -6.145 -8.814 -3.799 121 H LYS 26 HN LYS 26 -8.519 -9.156 -3.759 122 HA LYS 26 HA LYS 26 -8.893 -11.930 -3.703 123 HB2 LYS 26 HB2 LYS 26 -9.480 -9.964 -1.990 124 HB3 LYS 26 HB1 LYS 26 -11.070 -10.170 -2.697 125 HG2 LYS 26 HG2 LYS 26 -11.380 -12.200 -1.738 126 HG3 LYS 26 HG1 LYS 26 -9.672 -12.630 -1.836 127 HD2 LYS 26 HD2 LYS 26 -9.167 -11.190 0.044 128 HD3 LYS 26 HD1 LYS 26 -10.830 -10.620 0.097 129 HE2 LYS 26 HE2 LYS 26 -11.580 -12.490 1.127 130 HE3 LYS 26 HE1 LYS 26 -10.470 -13.540 0.242 131 HZ1 LYS 26 HZ3 LYS 26 -9.990 -12.010 2.709 132 HZ2 LYS 26 HZ1 LYS 26 -8.693 -12.440 1.713 133 HZ3 LYS 26 HZ2 LYS 26 -9.678 -13.640 2.389 134 H ALA 27 HN ALA 27 -10.550 -9.404 -5.450 135 HA ALA 27 HA ALA 27 -12.780 -11.020 -6.227 136 HB1 ALA 27 HB3 ALA 27 -12.960 -8.592 -6.083 137 HB2 ALA 27 HB1 ALA 27 -13.360 -9.175 -7.699 138 HB3 ALA 27 HB2 ALA 27 -11.790 -8.429 -7.395 139 H GLY 28 HN GLY 28 -9.711 -10.090 -7.688 140 HA2 GLY 28 HA2 GLY 28 -9.092 -12.250 -9.119 141 HA3 GLY 28 HA1 GLY 28 -10.330 -11.540 -10.130 142 H ASN 29 HN ASN 29 -9.527 -8.799 -9.361 143 HA ASN 29 HA ASN 29 -7.608 -8.399 -11.430 144 HB2 ASN 29 HB2 ASN 29 -8.712 -6.457 -9.395 145 HB3 ASN 29 HB1 ASN 29 -7.769 -6.012 -10.810 146 HD21 ASN 29 HD21 ASN 29 -10.090 -4.823 -10.610 147 HD22 ASN 29 HD22 ASN 29 -11.260 -5.489 -11.700 148 H TYR 30 HN TYR 30 -5.556 -8.992 -11.120 149 HA TYR 30 HA TYR 30 -4.307 -8.574 -8.517 150 HD1 TYR 30 HD1 TYR 30 -5.938 -10.630 -9.050 151 HD2 TYR 30 HD2 TYR 30 -1.874 -11.840 -8.705 152 HE1 TYR 30 HE1 TYR 30 -6.620 -12.470 -7.576 153 HE2 TYR 30 HE2 TYR 30 -2.545 -13.690 -7.231 154 HH TYR 30 HH TYR 30 -4.489 -15.010 -6.700 155 HB2 TYR 30 HB2 TYR 30 -3.661 -10.260 -10.900 156 HB3 TYR 30 HB1 TYR 30 -2.376 -9.832 -9.781 157 H GLU 31 HN GLU 31 -3.939 -7.690 -11.910 158 HA GLU 31 HA GLU 31 -1.535 -6.267 -11.690 159 HB2 GLU 31 HB2 GLU 31 -3.833 -6.209 -13.610 160 HB3 GLU 31 HB1 GLU 31 -2.585 -4.975 -13.720 161 HG2 GLU 31 HG2 GLU 31 -1.583 -7.724 -13.540 162 HG3 GLU 31 HG1 GLU 31 -2.516 -7.365 -14.990 163 H GLU 32 HN GLU 32 -4.886 -5.050 -11.650 164 HA GLU 32 HA GLU 32 -4.208 -2.375 -11.100 165 HB2 GLU 32 HB2 GLU 32 -6.457 -3.434 -11.890 166 HB3 GLU 32 HB1 GLU 32 -6.788 -3.592 -10.170 167 HG2 GLU 32 HG2 GLU 32 -7.695 -1.559 -10.430 168 HG3 GLU 32 HG1 GLU 32 -6.026 -1.018 -10.260 169 H ALA 33 HN ALA 33 -5.070 -5.078 -8.984 170 HA ALA 33 HA ALA 33 -5.119 -3.646 -6.568 171 HB1 ALA 33 HB3 ALA 33 -4.828 -5.845 -5.489 172 HB2 ALA 33 HB1 ALA 33 -4.482 -6.551 -7.067 173 HB3 ALA 33 HB2 ALA 33 -6.072 -5.862 -6.739 174 H LEU 34 HN LEU 34 -2.488 -5.147 -8.356 175 HA LEU 34 HA LEU 34 -0.508 -5.038 -6.379 176 HG LEU 34 HG LEU 34 1.848 -4.106 -8.375 177 HB2 LEU 34 HB2 LEU 34 -0.223 -6.305 -8.432 178 HB3 LEU 34 HB1 LEU 34 -0.259 -4.830 -9.379 179 HD11 LEU 34 HD11 LEU 34 1.653 -5.100 -6.190 180 HD12 LEU 34 HD12 LEU 34 3.125 -5.683 -6.965 181 HD13 LEU 34 HD13 LEU 34 1.702 -6.720 -6.884 182 HD21 LEU 34 HD23 LEU 34 2.295 -6.929 -9.258 183 HD22 LEU 34 HD21 LEU 34 3.229 -5.480 -9.628 184 HD23 LEU 34 HD22 LEU 34 1.655 -5.730 -10.380 185 H GLN 35 HN GLN 35 -1.222 -2.719 -8.989 186 HA GLN 35 HA GLN 35 0.688 -0.806 -8.246 187 HB2 GLN 35 HB2 GLN 35 -1.874 -0.653 -9.812 188 HB3 GLN 35 HB1 GLN 35 -0.921 0.789 -9.491 189 HG2 GLN 35 HG2 GLN 35 0.974 -0.913 -10.440 190 HG3 GLN 35 HG1 GLN 35 -0.447 -1.408 -11.360 191 HE21 GLN 35 HE21 GLN 35 2.010 -0.042 -12.210 192 HE22 GLN 35 HE22 GLN 35 1.493 1.422 -12.960 193 H LEU 36 HN LEU 36 -2.558 -1.421 -7.100 194 HA LEU 36 HA LEU 36 -2.846 1.041 -5.682 195 HG LEU 36 HG LEU 36 -4.619 -0.238 -7.570 196 HB2 LEU 36 HB2 LEU 36 -4.292 -1.595 -5.417 197 HB3 LEU 36 HB1 LEU 36 -4.748 -0.130 -4.567 198 HD11 LEU 36 HD11 LEU 36 -6.212 -1.853 -7.301 199 HD12 LEU 36 HD12 LEU 36 -7.219 -0.409 -7.198 200 HD13 LEU 36 HD13 LEU 36 -6.724 -1.245 -5.726 201 HD21 LEU 36 HD23 LEU 36 -4.667 1.979 -6.691 202 HD22 LEU 36 HD21 LEU 36 -5.963 1.568 -5.568 203 HD23 LEU 36 HD22 LEU 36 -6.280 1.613 -7.303 204 H TYR 37 HN TYR 37 -1.772 -2.212 -4.836 205 HA TYR 37 HA TYR 37 -1.623 -1.881 -2.059 206 HD1 TYR 37 HD1 TYR 37 -2.684 -3.420 -1.313 207 HD2 TYR 37 HD2 TYR 37 -1.072 -5.647 -4.559 208 HE1 TYR 37 HE1 TYR 37 -4.605 -4.952 -1.207 209 HE2 TYR 37 HE2 TYR 37 -2.988 -7.185 -4.464 210 HH TYR 37 HH TYR 37 -5.681 -6.704 -3.355 211 HB2 TYR 37 HB2 TYR 37 -0.058 -3.644 -3.945 212 HB3 TYR 37 HB1 TYR 37 0.106 -3.730 -2.195 213 H GLN 38 HN GLN 38 0.715 -1.178 -4.614 214 HA GLN 38 HA GLN 38 2.869 -0.503 -2.915 215 HB2 GLN 38 HB2 GLN 38 2.210 0.161 -5.776 216 HB3 GLN 38 HB1 GLN 38 3.651 0.796 -4.994 217 HG2 GLN 38 HG2 GLN 38 4.564 -1.357 -4.704 218 HG3 GLN 38 HG1 GLN 38 3.035 -2.139 -5.103 219 HE21 GLN 38 HE21 GLN 38 3.401 -3.236 -6.904 220 HE22 GLN 38 HE22 GLN 38 4.105 -2.598 -8.347 221 H HIS 39 HN HIS 39 0.332 1.444 -4.441 222 HA HIS 39 HA HIS 39 1.254 3.964 -3.636 223 HD1 HIS 39 HD1 HIS 39 -2.207 5.290 -6.115 224 HD2 HIS 39 HD2 HIS 39 1.714 3.926 -5.928 225 HE1 HIS 39 HE1 HIS 39 -1.085 6.185 -8.180 226 HE2 HIS 39 HE2 HIS 39 1.263 5.275 -8.088 227 HB2 HIS 39 HB2 HIS 39 -1.359 2.847 -4.521 228 HB3 HIS 39 HB1 HIS 39 -1.378 4.416 -3.723 229 H ALA 40 HN ALA 40 -0.924 1.673 -2.037 230 HA ALA 40 HA ALA 40 -1.651 3.273 0.139 231 HB1 ALA 40 HB3 ALA 40 -2.407 1.282 1.191 232 HB2 ALA 40 HB1 ALA 40 -1.314 0.283 0.232 233 HB3 ALA 40 HB2 ALA 40 -2.683 1.083 -0.540 234 H VAL 41 HN VAL 41 1.029 0.966 -0.213 235 HA VAL 41 HA VAL 41 2.051 1.274 2.397 236 HB VAL 41 HB VAL 41 3.625 0.535 -0.072 237 HG11 VAL 41 HG11 VAL 41 4.211 -0.687 2.541 238 HG12 VAL 41 HG12 VAL 41 4.578 1.033 2.405 239 HG13 VAL 41 HG13 VAL 41 5.305 -0.115 1.281 240 HG21 VAL 41 HG23 VAL 41 1.383 -0.759 0.755 241 HG22 VAL 41 HG21 VAL 41 2.629 -1.610 1.667 242 HG23 VAL 41 HG22 VAL 41 2.726 -1.525 -0.092 243 H GLN 42 HN GLN 42 2.653 2.996 -0.615 244 HA GLN 42 HA GLN 42 4.897 4.471 0.231 245 HB2 GLN 42 HB2 GLN 42 2.885 4.726 -1.951 246 HB3 GLN 42 HB1 GLN 42 3.871 6.133 -1.581 247 HG2 GLN 42 HG2 GLN 42 5.749 4.172 -1.697 248 HG3 GLN 42 HG1 GLN 42 4.585 3.625 -2.903 249 HE21 GLN 42 HE21 GLN 42 3.718 5.704 -4.176 250 HE22 GLN 42 HE22 GLN 42 4.986 6.646 -4.875 251 H TYR 43 HN TYR 43 1.433 5.268 0.239 252 HA TYR 43 HA TYR 43 1.817 7.818 1.467 253 HD1 TYR 43 HD2 TYR 43 0.775 9.381 0.027 254 HD2 TYR 43 HD1 TYR 43 -1.299 5.815 -1.015 255 HE1 TYR 43 HE2 TYR 43 0.620 10.159 -2.301 256 HE2 TYR 43 HE1 TYR 43 -1.458 6.583 -3.346 257 HH TYR 43 HH TYR 43 -0.372 8.109 -4.861 258 HB2 TYR 43 HB2 TYR 43 -0.673 6.125 1.174 259 HB3 TYR 43 HB1 TYR 43 -0.652 7.796 1.728 260 H PHE 44 HN PHE 44 1.002 4.590 2.621 261 HA PHE 44 HA PHE 44 0.300 5.251 5.250 262 HD1 PHE 44 HD1 PHE 44 -1.152 4.307 6.249 263 HD2 PHE 44 HD2 PHE 44 -0.424 1.386 3.241 264 HE1 PHE 44 HE1 PHE 44 -3.544 3.732 6.235 265 HE2 PHE 44 HE2 PHE 44 -2.815 0.807 3.220 266 HZ PHE 44 HZ PHE 44 -4.379 1.980 4.718 267 HB2 PHE 44 HB2 PHE 44 1.291 2.782 3.892 268 HB3 PHE 44 HB1 PHE 44 1.271 2.819 5.652 269 H LEU 45 HN LEU 45 3.443 4.163 3.965 270 HA LEU 45 HA LEU 45 4.862 4.435 6.374 271 HG LEU 45 HG LEU 45 4.857 2.389 4.075 272 HB2 LEU 45 HB2 LEU 45 5.838 4.586 3.521 273 HB3 LEU 45 HB1 LEU 45 6.884 4.461 4.923 274 HD11 LEU 45 HD11 LEU 45 7.743 2.771 3.514 275 HD12 LEU 45 HD12 LEU 45 6.478 2.052 2.518 276 HD13 LEU 45 HD13 LEU 45 7.182 1.132 3.848 277 HD21 LEU 45 HD23 LEU 45 6.337 1.053 5.762 278 HD22 LEU 45 HD21 LEU 45 5.021 2.070 6.347 279 HD23 LEU 45 HD22 LEU 45 6.685 2.652 6.419 280 H HIS 46 HN HIS 46 4.014 6.734 3.885 281 HA HIS 46 HA HIS 46 5.829 8.776 4.497 282 HD1 HIS 46 HD1 HIS 46 6.105 10.613 2.062 283 HD2 HIS 46 HD2 HIS 46 2.774 11.766 4.260 284 HE1 HIS 46 HE1 HIS 46 6.146 13.127 2.074 285 HE2 HIS 46 HE2 HIS 46 4.072 13.803 3.336 286 HB2 HIS 46 HB2 HIS 46 4.372 8.715 2.478 287 HB3 HIS 46 HB1 HIS 46 2.991 9.098 3.500 288 H VAL 47 HN VAL 47 2.702 7.951 5.896 289 HA VAL 47 HA VAL 47 2.599 10.271 7.583 290 HB VAL 47 HB VAL 47 1.016 7.719 7.886 291 HG11 VAL 47 HG11 VAL 47 0.460 8.836 9.772 292 HG12 VAL 47 HG12 VAL 47 -0.623 9.691 8.674 293 HG13 VAL 47 HG13 VAL 47 0.930 10.403 9.113 294 HG21 VAL 47 HG23 VAL 47 -0.609 8.549 6.408 295 HG22 VAL 47 HG21 VAL 47 0.927 8.818 5.586 296 HG23 VAL 47 HG22 VAL 47 0.110 10.159 6.387 297 H VAL 48 HN VAL 48 3.195 6.805 8.141 298 HA VAL 48 HA VAL 48 3.682 6.975 10.893 299 HB VAL 48 HB VAL 48 4.974 5.002 9.009 300 HG11 VAL 48 HG11 VAL 48 5.450 5.313 11.633 301 HG12 VAL 48 HG12 VAL 48 5.500 3.751 10.816 302 HG13 VAL 48 HG13 VAL 48 4.056 4.234 11.707 303 HG21 VAL 48 HG23 VAL 48 2.169 5.313 9.871 304 HG22 VAL 48 HG21 VAL 48 2.831 3.681 9.955 305 HG23 VAL 48 HG22 VAL 48 2.837 4.557 8.425 306 H LYS 49 HN LYS 49 5.802 7.441 8.125 307 HA LYS 49 HA LYS 49 8.203 7.587 9.681 308 HB2 LYS 49 HB2 LYS 49 8.221 6.913 7.312 309 HB3 LYS 49 HB1 LYS 49 7.660 8.515 6.854 310 HG2 LYS 49 HG2 LYS 49 10.117 8.423 8.479 311 HG3 LYS 49 HG1 LYS 49 10.237 7.779 6.840 312 HD2 LYS 49 HD2 LYS 49 9.767 9.815 5.863 313 HD3 LYS 49 HD1 LYS 49 8.908 10.416 7.283 314 HE2 LYS 49 HE2 LYS 49 10.915 11.623 7.253 315 HE3 LYS 49 HE1 LYS 49 11.171 10.364 8.461 316 HZ1 LYS 49 HZ3 LYS 49 12.895 10.883 6.520 317 HZ2 LYS 49 HZ1 LYS 49 11.955 9.715 5.736 318 HZ3 LYS 49 HZ2 LYS 49 12.717 9.344 7.199 319 H TYR 50 HN TYR 50 5.956 9.926 8.284 320 HA TYR 50 HA TYR 50 7.507 12.200 9.108 321 HD1 TYR 50 HD2 TYR 50 7.082 10.778 6.555 322 HD2 TYR 50 HD1 TYR 50 5.771 14.819 6.773 323 HE1 TYR 50 HE2 TYR 50 8.244 11.263 4.443 324 HE2 TYR 50 HE1 TYR 50 6.928 15.315 4.661 325 HH TYR 50 HH TYR 50 9.238 13.384 3.333 326 HB2 TYR 50 HB2 TYR 50 4.789 11.825 7.887 327 HB3 TYR 50 HB1 TYR 50 5.272 13.396 8.519 328 H GLU 51 HN GLU 51 4.125 11.458 9.926 329 HA GLU 51 HA GLU 51 4.624 11.522 12.748 330 HB2 GLU 51 HB2 GLU 51 3.058 13.516 13.085 331 HB3 GLU 51 HB1 GLU 51 4.698 13.865 12.555 332 HG2 GLU 51 HG2 GLU 51 4.012 14.363 10.377 333 HG3 GLU 51 HG1 GLU 51 2.441 13.597 10.604 334 H ALA 52 HN ALA 52 3.489 9.655 12.976 335 HA ALA 52 HA ALA 52 1.023 9.105 11.698 336 HB1 ALA 52 HB3 ALA 52 1.586 7.719 14.237 337 HB2 ALA 52 HB1 ALA 52 2.830 7.587 12.994 338 HB3 ALA 52 HB2 ALA 52 1.181 7.066 12.649 339 H GLN 53 HN GLN 53 -0.702 8.182 13.578 340 HA GLN 53 HA GLN 53 -1.720 10.669 14.703 341 HB2 GLN 53 HB2 GLN 53 -3.065 7.967 14.664 342 HB3 GLN 53 HB1 GLN 53 -3.820 9.531 14.937 343 HG2 GLN 53 HG2 GLN 53 -4.389 9.276 12.772 344 HG3 GLN 53 HG1 GLN 53 -2.797 9.991 12.522 345 HE21 GLN 53 HE21 GLN 53 -1.525 8.966 11.164 346 HE22 GLN 53 HE22 GLN 53 -1.618 7.293 10.741 347 H GLY 54 HN GLY 54 -0.790 7.417 15.748 348 HA2 GLY 54 HA2 GLY 54 -0.017 8.365 18.329 349 HA3 GLY 54 HA1 GLY 54 -1.535 7.484 18.400 350 H ASP 55 HN ASP 55 0.211 6.336 19.879 351 HA ASP 55 HA ASP 55 2.144 4.673 18.722 352 HB2 ASP 55 HB2 ASP 55 0.562 4.080 21.229 353 HB3 ASP 55 HB1 ASP 55 2.167 3.482 20.817 354 H LYS 56 HN LYS 56 -1.236 3.999 19.594 355 HA LYS 56 HA LYS 56 -1.211 1.316 18.684 356 HB2 LYS 56 HB2 LYS 56 -2.871 2.163 20.288 357 HB3 LYS 56 HB1 LYS 56 -3.548 3.202 19.041 358 HG2 LYS 56 HG2 LYS 56 -3.896 0.997 17.733 359 HG3 LYS 56 HG1 LYS 56 -3.700 0.232 19.311 360 HD2 LYS 56 HD2 LYS 56 -5.517 1.632 20.197 361 HD3 LYS 56 HD1 LYS 56 -5.726 2.352 18.599 362 HE2 LYS 56 HE2 LYS 56 -6.223 0.105 17.695 363 HE3 LYS 56 HE1 LYS 56 -6.104 -0.551 19.327 364 HZ1 LYS 56 HZ3 LYS 56 -8.392 -0.163 18.785 365 HZ2 LYS 56 HZ1 LYS 56 -8.080 1.447 18.367 366 HZ3 LYS 56 HZ2 LYS 56 -7.928 0.946 19.975 367 H ALA 57 HN ALA 57 -1.815 4.386 17.130 368 HA ALA 57 HA ALA 57 -3.027 3.351 14.776 369 HB1 ALA 57 HB3 ALA 57 -3.191 5.502 14.118 370 HB2 ALA 57 HB1 ALA 57 -1.525 5.878 14.561 371 HB3 ALA 57 HB2 ALA 57 -2.778 5.828 15.802 372 H LYS 58 HN LYS 58 0.298 4.223 15.631 373 HA LYS 58 HA LYS 58 1.457 3.850 13.111 374 HB2 LYS 58 HB2 LYS 58 2.631 3.516 15.875 375 HB3 LYS 58 HB1 LYS 58 3.583 3.494 14.397 376 HG2 LYS 58 HG2 LYS 58 3.197 5.751 13.970 377 HG3 LYS 58 HG1 LYS 58 1.812 5.816 15.061 378 HD2 LYS 58 HD2 LYS 58 3.225 5.658 16.980 379 HD3 LYS 58 HD1 LYS 58 4.636 5.307 15.981 380 HE2 LYS 58 HE2 LYS 58 3.198 7.828 15.415 381 HE3 LYS 58 HE1 LYS 58 4.081 7.748 16.939 382 HZ1 LYS 58 HZ3 LYS 58 5.419 6.901 14.464 383 HZ2 LYS 58 HZ1 LYS 58 6.084 7.561 15.873 384 HZ3 LYS 58 HZ2 LYS 58 5.257 8.554 14.783 385 H GLN 59 HN GLN 59 1.110 1.579 15.826 386 HA GLN 59 HA GLN 59 2.366 -0.611 14.616 387 HB2 GLN 59 HB2 GLN 59 1.145 -1.983 16.267 388 HB3 GLN 59 HB1 GLN 59 1.899 -0.572 16.996 389 HG2 GLN 59 HG2 GLN 59 -0.197 0.563 17.133 390 HG3 GLN 59 HG1 GLN 59 -0.997 -0.700 16.199 391 HE21 GLN 59 HE21 GLN 59 0.343 0.183 19.277 392 HE22 GLN 59 HE22 GLN 59 -0.330 -1.128 20.178 393 H SER 60 HN SER 60 -0.900 0.624 14.356 394 HA SER 60 HA SER 60 -2.096 -1.625 13.157 395 HG SER 60 HG SER 60 -4.679 0.110 11.981 396 HB2 SER 60 HB2 SER 60 -3.158 0.574 14.104 397 HB3 SER 60 HB1 SER 60 -2.941 1.168 12.458 398 H ILE 61 HN ILE 61 -0.471 1.203 11.770 399 HA ILE 61 HA ILE 61 -0.917 0.430 9.061 400 HB ILE 61 HB ILE 61 1.230 2.288 10.084 401 HG12 ILE 61 HG12 ILE 61 -1.638 2.906 9.339 402 HG13 ILE 61 HG11 ILE 61 -0.963 2.960 10.964 403 HG21 ILE 61 HG21 ILE 61 0.934 1.337 7.590 404 HG22 ILE 61 HG22 ILE 61 1.559 2.946 7.949 405 HG23 ILE 61 HG23 ILE 61 -0.135 2.736 7.508 406 HD11 ILE 61 HD13 ILE 61 -1.244 5.162 9.734 407 HD12 ILE 61 HD11 ILE 61 0.124 4.653 8.745 408 HD13 ILE 61 HD12 ILE 61 0.321 4.853 10.486 409 H ARG 62 HN ARG 62 1.637 -0.119 11.403 410 HA ARG 62 HA ARG 62 3.640 -1.032 9.673 411 HE ARG 62 HE ARG 62 6.463 1.011 13.169 412 HB2 ARG 62 HB2 ARG 62 3.025 -1.646 12.558 413 HB3 ARG 62 HB1 ARG 62 4.422 -2.327 11.735 414 HG2 ARG 62 HG2 ARG 62 5.516 -0.326 11.634 415 HG3 ARG 62 HG1 ARG 62 4.024 0.616 11.634 416 HD2 ARG 62 HD2 ARG 62 3.846 0.593 13.906 417 HD3 ARG 62 HD1 ARG 62 4.640 -0.974 14.061 418 HH11 ARG 62 HH11 ARG 62 4.798 -0.130 16.016 419 HH12 ARG 62 HH12 ARG 62 6.005 0.458 17.109 420 HH21 ARG 62 HH21 ARG 62 8.052 1.783 14.606 421 HH22 ARG 62 HH22 ARG 62 7.852 1.544 16.309 422 H ALA 63 HN ALA 63 0.999 -2.759 11.277 423 HA ALA 63 HA ALA 63 1.763 -5.337 10.353 424 HB1 ALA 63 HB3 ALA 63 -1.067 -4.688 11.039 425 HB2 ALA 63 HB1 ALA 63 0.167 -4.629 12.299 426 HB3 ALA 63 HB2 ALA 63 -0.119 -6.128 11.414 427 H LYS 64 HN LYS 64 -0.356 -2.816 9.115 428 HA LYS 64 HA LYS 64 -1.447 -4.420 7.010 429 HB2 LYS 64 HB2 LYS 64 -1.421 -1.435 7.473 430 HB3 LYS 64 HB1 LYS 64 -2.263 -2.207 6.136 431 HG2 LYS 64 HG2 LYS 64 -3.286 -3.613 8.176 432 HG3 LYS 64 HG1 LYS 64 -2.954 -2.088 8.999 433 HD2 LYS 64 HD2 LYS 64 -4.319 -2.019 6.351 434 HD3 LYS 64 HD1 LYS 64 -5.248 -2.506 7.770 435 HE2 LYS 64 HE2 LYS 64 -4.476 -0.408 8.891 436 HE3 LYS 64 HE1 LYS 64 -3.764 0.084 7.355 437 HZ1 LYS 64 HZ3 LYS 64 -5.769 1.053 7.109 438 HZ2 LYS 64 HZ1 LYS 64 -6.558 -0.013 8.160 439 HZ3 LYS 64 HZ2 LYS 64 -6.228 -0.482 6.569 440 H CYS 65 HN CYS 65 1.147 -2.034 7.265 441 HA CYS 65 HA CYS 65 1.754 -1.841 4.531 442 HG CYS 65 HG CYS 65 2.792 0.644 4.615 443 HB2 CYS 65 HB2 CYS 65 3.175 -1.225 7.071 444 HB3 CYS 65 HB1 CYS 65 4.149 -1.336 5.609 445 H THR 66 HN THR 66 2.623 -4.199 6.955 446 HA THR 66 HA THR 66 4.629 -5.459 5.303 447 HB THR 66 HB THR 66 4.857 -5.467 7.745 448 HG1 THR 66 HG1 THR 66 4.412 -8.054 6.673 449 HG21 THR 66 HG23 THR 66 2.308 -7.047 7.686 450 HG22 THR 66 HG21 THR 66 2.662 -5.570 8.583 451 HG23 THR 66 HG22 THR 66 3.435 -7.087 9.042 452 H GLU 67 HN GLU 67 1.243 -5.887 6.049 453 HA GLU 67 HA GLU 67 1.003 -8.510 4.963 454 HB2 GLU 67 HB2 GLU 67 -0.611 -7.615 6.581 455 HB3 GLU 67 HB1 GLU 67 -1.109 -6.394 5.418 456 HG2 GLU 67 HG2 GLU 67 -1.914 -8.152 3.922 457 HG3 GLU 67 HG1 GLU 67 -1.424 -9.371 5.097 458 H TYR 68 HN TYR 68 0.230 -5.271 3.715 459 HA TYR 68 HA TYR 68 -0.662 -6.161 1.182 460 HD1 TYR 68 HD1 TYR 68 -2.634 -5.493 1.451 461 HD2 TYR 68 HD2 TYR 68 -0.911 -2.021 3.206 462 HE1 TYR 68 HE1 TYR 68 -4.758 -5.026 2.600 463 HE2 TYR 68 HE2 TYR 68 -3.030 -1.545 4.360 464 HH TYR 68 HH TYR 68 -5.172 -3.338 5.088 465 HB2 TYR 68 HB2 TYR 68 0.446 -3.464 1.990 466 HB3 TYR 68 HB1 TYR 68 -0.434 -3.802 0.502 467 H LEU 69 HN LEU 69 2.473 -5.015 2.359 468 HA LEU 69 HA LEU 69 3.814 -4.968 -0.100 469 HG LEU 69 HG LEU 69 4.218 -2.962 1.693 470 HB2 LEU 69 HB2 LEU 69 4.667 -5.209 2.750 471 HB3 LEU 69 HB1 LEU 69 5.851 -5.489 1.488 472 HD11 LEU 69 HD11 LEU 69 5.802 -3.507 3.654 473 HD12 LEU 69 HD12 LEU 69 5.923 -1.928 2.879 474 HD13 LEU 69 HD13 LEU 69 7.093 -3.191 2.494 475 HD21 LEU 69 HD23 LEU 69 5.429 -3.841 -0.478 476 HD22 LEU 69 HD21 LEU 69 6.852 -3.183 0.330 477 HD23 LEU 69 HD22 LEU 69 5.477 -2.137 -0.026 478 H ASP 70 HN ASP 70 3.200 -7.585 2.167 479 HA ASP 70 HA ASP 70 4.934 -9.484 0.995 480 HB2 ASP 70 HB2 ASP 70 3.609 -9.477 3.288 481 HB3 ASP 70 HB1 ASP 70 2.411 -10.350 2.339 482 H ARG 71 HN ARG 71 1.520 -8.716 0.481 483 HA ARG 71 HA ARG 71 1.080 -10.820 -1.395 484 HE ARG 71 HE ARG 71 -3.790 -10.770 -2.465 485 HB2 ARG 71 HB2 ARG 71 -0.582 -9.283 0.044 486 HB3 ARG 71 HB1 ARG 71 -0.630 -8.395 -1.473 487 HG2 ARG 71 HG2 ARG 71 -1.728 -10.050 -2.570 488 HG3 ARG 71 HG1 ARG 71 -0.994 -11.330 -1.604 489 HD2 ARG 71 HD2 ARG 71 -2.575 -11.200 0.022 490 HD3 ARG 71 HD1 ARG 71 -2.812 -9.467 -0.198 491 HH11 ARG 71 HH11 ARG 71 -4.520 -10.490 0.936 492 HH12 ARG 71 HH12 ARG 71 -6.217 -10.760 0.722 493 HH21 ARG 71 HH21 ARG 71 -6.021 -11.120 -2.749 494 HH22 ARG 71 HH22 ARG 71 -7.069 -11.120 -1.370 495 H ALA 72 HN ALA 72 1.551 -7.310 -1.727 496 HA ALA 72 HA ALA 72 1.423 -7.201 -4.521 497 HB1 ALA 72 HB3 ALA 72 1.260 -5.149 -3.427 498 HB2 ALA 72 HB1 ALA 72 2.850 -5.091 -4.187 499 HB3 ALA 72 HB2 ALA 72 2.708 -5.439 -2.464 500 H GLU 73 HN GLU 73 4.099 -7.901 -2.346 501 HA GLU 73 HA GLU 73 6.186 -7.754 -4.224 502 HB2 GLU 73 HB2 GLU 73 5.818 -9.038 -1.559 503 HB3 GLU 73 HB1 GLU 73 7.192 -9.542 -2.533 504 HG2 GLU 73 HG2 GLU 73 6.844 -6.642 -2.332 505 HG3 GLU 73 HG1 GLU 73 7.189 -7.453 -0.805 506 H LYS 74 HN LYS 74 4.190 -10.490 -3.157 507 HA LYS 74 HA LYS 74 5.471 -12.360 -4.901 508 HB2 LYS 74 HB2 LYS 74 4.258 -12.910 -2.743 509 HB3 LYS 74 HB1 LYS 74 2.756 -12.650 -3.619 510 HG2 LYS 74 HG2 LYS 74 3.931 -14.380 -5.283 511 HG3 LYS 74 HG1 LYS 74 4.683 -14.880 -3.766 512 HD2 LYS 74 HD2 LYS 74 2.224 -14.790 -2.868 513 HD3 LYS 74 HD1 LYS 74 1.810 -14.950 -4.576 514 HE2 LYS 74 HE2 LYS 74 3.871 -16.800 -3.580 515 HE3 LYS 74 HE1 LYS 74 2.253 -17.040 -2.918 516 HZ1 LYS 74 HZ3 LYS 74 1.468 -17.010 -5.297 517 HZ2 LYS 74 HZ1 LYS 74 2.372 -18.360 -4.833 518 HZ3 LYS 74 HZ2 LYS 74 3.090 -17.140 -5.756 519 H LEU 75 HN LEU 75 2.557 -10.380 -5.041 520 HA LEU 75 HA LEU 75 1.361 -11.520 -7.293 521 HG LEU 75 HG LEU 75 -0.730 -10.830 -7.410 522 HB2 LEU 75 HB2 LEU 75 1.039 -9.162 -5.696 523 HB3 LEU 75 HB1 LEU 75 0.896 -8.740 -7.392 524 HD11 LEU 75 HD11 LEU 75 -1.012 -9.805 -4.594 525 HD12 LEU 75 HD12 LEU 75 -0.288 -11.350 -5.029 526 HD13 LEU 75 HD13 LEU 75 -1.990 -11.040 -5.374 527 HD21 LEU 75 HD23 LEU 75 -1.183 -7.978 -6.735 528 HD22 LEU 75 HD21 LEU 75 -2.546 -9.093 -6.638 529 HD23 LEU 75 HD22 LEU 75 -1.675 -8.897 -8.158 530 H LYS 76 HN LYS 76 3.580 -8.747 -7.099 531 HA LYS 76 HA LYS 76 3.771 -8.390 -9.903 532 HB2 LYS 76 HB2 LYS 76 5.637 -6.906 -9.402 533 HB3 LYS 76 HB1 LYS 76 4.306 -6.610 -8.292 534 HG2 LYS 76 HG2 LYS 76 5.582 -8.248 -6.734 535 HG3 LYS 76 HG1 LYS 76 6.960 -7.869 -7.770 536 HD2 LYS 76 HD2 LYS 76 6.136 -5.389 -7.326 537 HD3 LYS 76 HD1 LYS 76 5.468 -6.134 -5.872 538 HE2 LYS 76 HE2 LYS 76 7.509 -5.702 -5.023 539 HE3 LYS 76 HE1 LYS 76 7.952 -7.188 -5.862 540 HZ1 LYS 76 HZ3 LYS 76 8.638 -4.433 -6.481 541 HZ2 LYS 76 HZ1 LYS 76 8.285 -5.418 -7.810 542 HZ3 LYS 76 HZ2 LYS 76 9.519 -5.853 -6.739 543 H GLU 77 HN GLU 77 5.409 -10.440 -7.633 544 HA GLU 77 HA GLU 77 7.762 -11.030 -8.972 545 HB2 GLU 77 HB2 GLU 77 7.134 -11.810 -6.685 546 HB3 GLU 77 HB1 GLU 77 6.075 -13.000 -7.428 547 HG2 GLU 77 HG2 GLU 77 7.882 -14.180 -8.356 548 HG3 GLU 77 HG1 GLU 77 9.008 -12.870 -8.043 549 H TYR 78 HN TYR 78 4.699 -12.860 -9.176 550 HA TYR 78 HA TYR 78 5.592 -14.510 -11.300 551 HD1 TYR 78 HD1 TYR 78 2.076 -13.850 -12.830 552 HD2 TYR 78 HD2 TYR 78 2.173 -13.480 -8.597 553 HE1 TYR 78 HE1 TYR 78 0.004 -12.530 -12.910 554 HE2 TYR 78 HE2 TYR 78 0.100 -12.150 -8.663 555 HH TYR 78 HH TYR 78 -1.982 -12.110 -10.970 556 HB2 TYR 78 HB2 TYR 78 3.421 -15.410 -11.330 557 HB3 TYR 78 HB1 TYR 78 3.670 -14.940 -9.659 558 H LEU 79 HN LEU 79 3.850 -11.460 -11.180 559 HA LEU 79 HA LEU 79 3.046 -11.340 -13.870 560 HG LEU 79 HG LEU 79 1.548 -10.540 -11.500 561 HB2 LEU 79 HB2 LEU 79 3.622 -9.213 -11.820 562 HB3 LEU 79 HB1 LEU 79 3.076 -8.826 -13.450 563 HD11 LEU 79 HD11 LEU 79 0.513 -7.909 -12.280 564 HD12 LEU 79 HD12 LEU 79 1.918 -7.892 -11.210 565 HD13 LEU 79 HD13 LEU 79 0.452 -8.743 -10.720 566 HD21 LEU 79 HD23 LEU 79 0.773 -9.358 -14.160 567 HD22 LEU 79 HD21 LEU 79 -0.300 -10.240 -13.070 568 HD23 LEU 79 HD22 LEU 79 1.069 -11.060 -13.820 569 H LYS 80 HN LYS 80 6.044 -10.420 -12.260 570 HA LYS 80 HA LYS 80 7.169 -9.271 -14.650 571 HB2 LYS 80 HB2 LYS 80 8.017 -9.630 -11.840 572 HB3 LYS 80 HB1 LYS 80 9.301 -9.543 -13.030 573 HG2 LYS 80 HG2 LYS 80 7.986 -7.426 -13.840 574 HG3 LYS 80 HG1 LYS 80 7.343 -7.466 -12.200 575 HD2 LYS 80 HD2 LYS 80 9.482 -7.215 -11.240 576 HD3 LYS 80 HD1 LYS 80 10.292 -7.604 -12.760 577 HE2 LYS 80 HE2 LYS 80 8.481 -5.250 -12.710 578 HE3 LYS 80 HE1 LYS 80 10.038 -5.108 -11.900 579 HZ1 LYS 80 HZ3 LYS 80 9.748 -4.551 -14.440 580 HZ2 LYS 80 HZ1 LYS 80 10.019 -6.213 -14.600 581 HZ3 LYS 80 HZ2 LYS 80 11.174 -5.239 -13.840 582 H ASN 81 HN ASN 81 7.252 -12.330 -12.980 583 HA ASN 81 HA ASN 81 9.480 -13.400 -14.410 584 HB2 ASN 81 HB2 ASN 81 7.413 -14.470 -12.550 585 HB3 ASN 81 HB1 ASN 81 8.261 -15.620 -13.570 586 HD21 ASN 81 HD21 ASN 81 8.260 -14.600 -10.600 587 HD22 ASN 81 HD22 ASN 81 9.946 -14.590 -10.220 Start of MODEL 7 1 H ASN 10 HN ASN 10 -1.396 13.816 4.256 2 HA ASN 10 HA ASN 10 -1.439 12.258 1.806 3 HB2 ASN 10 HB2 ASN 10 0.514 12.609 4.056 4 HB3 ASN 10 HB1 ASN 10 0.669 11.235 2.966 5 HD21 ASN 10 HD21 ASN 10 0.320 14.755 2.965 6 HD22 ASN 10 HD22 ASN 10 1.313 15.028 1.578 7 H LEU 11 HN LEU 11 -2.089 11.858 5.215 8 HA LEU 11 HA LEU 11 -2.111 9.032 5.277 9 HG LEU 11 HG LEU 11 -3.957 8.289 7.154 10 HB2 LEU 11 HB2 LEU 11 -1.998 10.531 7.271 11 HB3 LEU 11 HB1 LEU 11 -3.687 10.927 7.017 12 HD11 LEU 11 HD11 LEU 11 -2.388 7.151 8.373 13 HD12 LEU 11 HD12 LEU 11 -1.765 8.610 9.142 14 HD13 LEU 11 HD13 LEU 11 -1.353 8.252 7.466 15 HD21 LEU 11 HD23 LEU 11 -4.726 8.566 9.343 16 HD22 LEU 11 HD21 LEU 11 -4.883 10.169 8.624 17 HD23 LEU 11 HD22 LEU 11 -3.533 9.814 9.702 18 H GLN 12 HN GLN 12 -4.636 11.438 4.684 19 HA GLN 12 HA GLN 12 -6.827 9.696 4.604 20 HB2 GLN 12 HB2 GLN 12 -6.855 12.236 4.643 21 HB3 GLN 12 HB1 GLN 12 -6.533 12.178 2.915 22 HG2 GLN 12 HG2 GLN 12 -8.784 10.521 3.777 23 HG3 GLN 12 HG1 GLN 12 -9.000 12.249 4.048 24 HE21 GLN 12 HE21 GLN 12 -9.025 13.650 2.278 25 HE22 GLN 12 HE22 GLN 12 -9.297 13.082 0.670 26 H LYS 13 HN LYS 13 -4.388 10.460 2.223 27 HA LYS 13 HA LYS 13 -5.794 9.151 0.066 28 HB2 LYS 13 HB2 LYS 13 -4.321 11.063 -0.385 29 HB3 LYS 13 HB1 LYS 13 -2.947 10.157 0.234 30 HG2 LYS 13 HG2 LYS 13 -2.780 10.006 -2.092 31 HG3 LYS 13 HG1 LYS 13 -3.446 8.453 -1.583 32 HD2 LYS 13 HD2 LYS 13 -4.961 8.853 -3.203 33 HD3 LYS 13 HD1 LYS 13 -5.719 9.870 -1.976 34 HE2 LYS 13 HE2 LYS 13 -3.790 10.773 -4.112 35 HE3 LYS 13 HE1 LYS 13 -5.527 11.071 -4.079 36 HZ1 LYS 13 HZ3 LYS 13 -4.554 13.020 -3.279 37 HZ2 LYS 13 HZ1 LYS 13 -3.444 12.193 -2.306 38 HZ3 LYS 13 HZ2 LYS 13 -5.081 12.225 -1.883 39 H ALA 14 HN ALA 14 -3.316 8.362 2.400 40 HA ALA 14 HA ALA 14 -2.356 6.007 1.159 41 HB1 ALA 14 HB3 ALA 14 -1.003 5.817 2.955 42 HB2 ALA 14 HB1 ALA 14 -2.306 6.119 4.105 43 HB3 ALA 14 HB2 ALA 14 -1.539 7.468 3.266 44 H ILE 15 HN ILE 15 -4.961 6.632 3.457 45 HA ILE 15 HA ILE 15 -5.574 3.853 3.842 46 HB ILE 15 HB ILE 15 -7.346 6.212 4.468 47 HG12 ILE 15 HG12 ILE 15 -5.420 4.894 6.378 48 HG13 ILE 15 HG11 ILE 15 -4.974 6.309 5.430 49 HG21 ILE 15 HG21 ILE 15 -7.314 3.328 5.230 50 HG22 ILE 15 HG22 ILE 15 -8.667 4.347 4.738 51 HG23 ILE 15 HG23 ILE 15 -7.975 4.518 6.352 52 HD11 ILE 15 HD13 ILE 15 -6.559 7.660 6.522 53 HD12 ILE 15 HD11 ILE 15 -5.759 6.728 7.787 54 HD13 ILE 15 HD12 ILE 15 -7.369 6.265 7.236 55 H ASP 16 HN ASP 16 -6.841 6.486 1.867 56 HA ASP 16 HA ASP 16 -9.153 5.219 0.924 57 HB2 ASP 16 HB2 ASP 16 -8.214 7.686 0.635 58 HB3 ASP 16 HB1 ASP 16 -7.631 7.032 -0.892 59 H LEU 17 HN LEU 17 -5.853 5.270 -0.374 60 HA LEU 17 HA LEU 17 -6.484 3.645 -2.635 61 HG LEU 17 HG LEU 17 -5.410 5.922 -3.093 62 HB2 LEU 17 HB2 LEU 17 -3.923 4.548 -1.354 63 HB3 LEU 17 HB1 LEU 17 -3.913 3.389 -2.670 64 HD11 LEU 17 HD11 LEU 17 -2.959 6.197 -2.025 65 HD12 LEU 17 HD12 LEU 17 -3.638 7.310 -3.213 66 HD13 LEU 17 HD13 LEU 17 -2.535 6.034 -3.729 67 HD21 LEU 17 HD23 LEU 17 -4.655 5.621 -5.358 68 HD22 LEU 17 HD21 LEU 17 -5.321 4.099 -4.768 69 HD23 LEU 17 HD22 LEU 17 -3.574 4.317 -4.865 70 H ALA 18 HN ALA 18 -5.146 3.042 0.573 71 HA ALA 18 HA ALA 18 -4.401 0.364 0.201 72 HB1 ALA 18 HB3 ALA 18 -4.999 0.376 2.811 73 HB2 ALA 18 HB1 ALA 18 -4.935 2.114 2.523 74 HB3 ALA 18 HB2 ALA 18 -3.534 1.107 2.156 75 H SER 19 HN SER 19 -7.456 1.800 1.285 76 HA SER 19 HA SER 19 -8.785 -0.616 1.852 77 HG SER 19 HG SER 19 -10.250 2.130 3.358 78 HB2 SER 19 HB2 SER 19 -9.689 2.182 1.254 79 HB3 SER 19 HB1 SER 19 -10.870 0.882 1.363 80 H LYS 20 HN LYS 20 -8.572 1.326 -1.097 81 HA LYS 20 HA LYS 20 -10.380 -0.251 -2.607 82 HB2 LYS 20 HB2 LYS 20 -8.373 1.864 -3.223 83 HB3 LYS 20 HB1 LYS 20 -8.974 0.878 -4.549 84 HG2 LYS 20 HG2 LYS 20 -11.060 1.760 -4.445 85 HG3 LYS 20 HG1 LYS 20 -10.960 2.078 -2.712 86 HD2 LYS 20 HD2 LYS 20 -10.850 4.215 -3.548 87 HD3 LYS 20 HD1 LYS 20 -9.138 3.806 -3.453 88 HE2 LYS 20 HE2 LYS 20 -9.136 4.538 -5.590 89 HE3 LYS 20 HE1 LYS 20 -9.688 2.896 -5.919 90 HZ1 LYS 20 HZ3 LYS 20 -11.350 5.342 -5.691 91 HZ2 LYS 20 HZ1 LYS 20 -11.990 3.779 -5.747 92 HZ3 LYS 20 HZ2 LYS 20 -11.110 4.378 -7.061 93 H ALA 21 HN ALA 21 -6.874 -0.276 -2.215 94 HA ALA 21 HA ALA 21 -6.280 -2.172 -4.199 95 HB1 ALA 21 HB3 ALA 21 -4.708 -1.947 -1.657 96 HB2 ALA 21 HB1 ALA 21 -4.697 -0.652 -2.854 97 HB3 ALA 21 HB2 ALA 21 -4.136 -2.265 -3.295 98 H ALA 22 HN ALA 22 -6.967 -2.566 -0.738 99 HA ALA 22 HA ALA 22 -6.589 -5.352 -0.636 100 HB1 ALA 22 HB3 ALA 22 -7.765 -5.274 1.476 101 HB2 ALA 22 HB1 ALA 22 -8.404 -3.675 1.092 102 HB3 ALA 22 HB2 ALA 22 -6.673 -3.894 1.350 103 H GLN 23 HN GLN 23 -9.325 -3.380 -1.572 104 HA GLN 23 HA GLN 23 -11.170 -5.588 -1.621 105 HB2 GLN 23 HB2 GLN 23 -11.280 -2.684 -2.277 106 HB3 GLN 23 HB1 GLN 23 -12.490 -3.735 -3.008 107 HG2 GLN 23 HG2 GLN 23 -12.120 -4.147 -0.136 108 HG3 GLN 23 HG1 GLN 23 -12.700 -2.542 -0.574 109 HE21 GLN 23 HE21 GLN 23 -14.330 -2.931 -2.634 110 HE22 GLN 23 HE22 GLN 23 -15.650 -3.969 -2.217 111 H GLU 24 HN GLU 24 -9.194 -3.832 -3.933 112 HA GLU 24 HA GLU 24 -10.310 -4.897 -6.288 113 HB2 GLU 24 HB2 GLU 24 -7.587 -3.771 -5.659 114 HB3 GLU 24 HB1 GLU 24 -8.027 -4.319 -7.271 115 HG2 GLU 24 HG2 GLU 24 -9.712 -2.315 -5.829 116 HG3 GLU 24 HG1 GLU 24 -8.253 -1.823 -6.686 117 H ASP 25 HN ASP 25 -7.563 -5.953 -4.306 118 HA ASP 25 HA ASP 25 -6.831 -8.140 -5.929 119 HB2 ASP 25 HB2 ASP 25 -5.378 -7.126 -4.178 120 HB3 ASP 25 HB1 ASP 25 -6.421 -7.833 -2.947 121 H LYS 26 HN LYS 26 -8.783 -7.992 -2.954 122 HA LYS 26 HA LYS 26 -9.421 -10.720 -2.869 123 HB2 LYS 26 HB2 LYS 26 -9.794 -8.676 -1.171 124 HB3 LYS 26 HB1 LYS 26 -11.410 -8.794 -1.837 125 HG2 LYS 26 HG2 LYS 26 -11.000 -11.370 -1.296 126 HG3 LYS 26 HG1 LYS 26 -9.941 -10.660 -0.084 127 HD2 LYS 26 HD2 LYS 26 -11.820 -10.570 1.155 128 HD3 LYS 26 HD1 LYS 26 -12.130 -9.115 0.221 129 HE2 LYS 26 HE2 LYS 26 -13.030 -11.800 -0.754 130 HE3 LYS 26 HE1 LYS 26 -13.990 -10.890 0.407 131 HZ1 LYS 26 HZ3 LYS 26 -14.010 -9.033 -1.188 132 HZ2 LYS 26 HZ1 LYS 26 -14.750 -10.420 -1.802 133 HZ3 LYS 26 HZ2 LYS 26 -13.200 -10.000 -2.312 134 H ALA 27 HN ALA 27 -10.830 -8.041 -4.600 135 HA ALA 27 HA ALA 27 -13.240 -9.379 -5.329 136 HB1 ALA 27 HB3 ALA 27 -13.630 -7.511 -6.802 137 HB2 ALA 27 HB1 ALA 27 -11.940 -7.010 -6.668 138 HB3 ALA 27 HB2 ALA 27 -13.000 -6.914 -5.264 139 H GLY 28 HN GLY 28 -10.110 -8.872 -6.893 140 HA2 GLY 28 HA2 GLY 28 -9.779 -11.150 -8.232 141 HA3 GLY 28 HA1 GLY 28 -10.960 -10.350 -9.252 142 H ASN 29 HN ASN 29 -9.827 -7.686 -8.628 143 HA ASN 29 HA ASN 29 -7.921 -7.608 -10.750 144 HB2 ASN 29 HB2 ASN 29 -8.956 -5.516 -8.842 145 HB3 ASN 29 HB1 ASN 29 -7.748 -5.160 -10.070 146 HD21 ASN 29 HD21 ASN 29 -10.110 -3.830 -10.060 147 HD22 ASN 29 HD22 ASN 29 -11.070 -4.320 -11.410 148 H TYR 30 HN TYR 30 -5.851 -8.121 -10.560 149 HA TYR 30 HA TYR 30 -4.544 -7.828 -7.951 150 HD1 TYR 30 HD2 TYR 30 -6.372 -9.753 -8.459 151 HD2 TYR 30 HD1 TYR 30 -2.433 -11.310 -8.077 152 HE1 TYR 30 HE2 TYR 30 -7.220 -11.500 -6.958 153 HE2 TYR 30 HE1 TYR 30 -3.270 -13.070 -6.576 154 HH TYR 30 HH TYR 30 -6.173 -12.970 -5.066 155 HB2 TYR 30 HB2 TYR 30 -4.064 -9.617 -10.310 156 HB3 TYR 30 HB1 TYR 30 -2.752 -9.282 -9.184 157 H GLU 31 HN GLU 31 -4.143 -7.110 -11.390 158 HA GLU 31 HA GLU 31 -1.641 -5.861 -11.240 159 HB2 GLU 31 HB2 GLU 31 -3.951 -5.534 -13.140 160 HB3 GLU 31 HB1 GLU 31 -2.442 -4.654 -13.340 161 HG2 GLU 31 HG2 GLU 31 -1.511 -7.172 -13.070 162 HG3 GLU 31 HG1 GLU 31 -3.068 -7.480 -13.840 163 H GLU 32 HN GLU 32 -4.897 -4.414 -11.200 164 HA GLU 32 HA GLU 32 -4.014 -1.769 -10.770 165 HB2 GLU 32 HB2 GLU 32 -6.302 -2.539 -11.580 166 HB3 GLU 32 HB1 GLU 32 -6.679 -2.877 -9.901 167 HG2 GLU 32 HG2 GLU 32 -6.970 -0.716 -9.401 168 HG3 GLU 32 HG1 GLU 32 -5.605 -0.198 -10.380 169 H ALA 33 HN ALA 33 -5.074 -4.313 -8.549 170 HA ALA 33 HA ALA 33 -4.998 -2.783 -6.192 171 HB1 ALA 33 HB3 ALA 33 -6.035 -5.076 -6.538 172 HB2 ALA 33 HB1 ALA 33 -5.182 -4.814 -5.017 173 HB3 ALA 33 HB2 ALA 33 -4.411 -5.728 -6.314 174 H LEU 34 HN LEU 34 -2.508 -4.569 -7.919 175 HA LEU 34 HA LEU 34 -0.518 -4.544 -5.948 176 HG LEU 34 HG LEU 34 1.889 -3.887 -7.830 177 HB2 LEU 34 HB2 LEU 34 -0.347 -5.913 -7.948 178 HB3 LEU 34 HB1 LEU 34 -0.264 -4.479 -8.955 179 HD11 LEU 34 HD11 LEU 34 1.704 -6.677 -6.706 180 HD12 LEU 34 HD12 LEU 34 1.489 -5.196 -5.772 181 HD13 LEU 34 HD13 LEU 34 3.045 -5.546 -6.523 182 HD21 LEU 34 HD23 LEU 34 1.480 -5.414 -9.967 183 HD22 LEU 34 HD21 LEU 34 2.289 -6.603 -8.947 184 HD23 LEU 34 HD22 LEU 34 3.094 -5.084 -9.339 185 H GLN 35 HN GLN 35 -1.158 -2.242 -8.583 186 HA GLN 35 HA GLN 35 0.944 -0.472 -7.932 187 HB2 GLN 35 HB2 GLN 35 -1.650 0.090 -9.382 188 HB3 GLN 35 HB1 GLN 35 -0.240 1.141 -9.371 189 HG2 GLN 35 HG2 GLN 35 0.221 -1.635 -10.240 190 HG3 GLN 35 HG1 GLN 35 -0.765 -0.633 -11.300 191 HE21 GLN 35 HE21 GLN 35 2.317 -0.734 -9.594 192 HE22 GLN 35 HE22 GLN 35 3.188 0.228 -10.730 193 H LEU 36 HN LEU 36 -2.363 -0.765 -6.817 194 HA LEU 36 HA LEU 36 -2.457 1.758 -5.490 195 HG LEU 36 HG LEU 36 -4.286 0.537 -7.358 196 HB2 LEU 36 HB2 LEU 36 -4.119 -0.734 -5.121 197 HB3 LEU 36 HB1 LEU 36 -4.466 0.812 -4.371 198 HD11 LEU 36 HD11 LEU 36 -6.905 0.445 -5.937 199 HD12 LEU 36 HD12 LEU 36 -5.981 -1.042 -6.153 200 HD13 LEU 36 HD13 LEU 36 -6.483 -0.103 -7.559 201 HD21 LEU 36 HD23 LEU 36 -4.251 2.776 -6.141 202 HD22 LEU 36 HD21 LEU 36 -5.931 2.441 -5.720 203 HD23 LEU 36 HD22 LEU 36 -5.456 2.570 -7.413 204 H TYR 37 HN TYR 37 -1.600 -1.520 -4.536 205 HA TYR 37 HA TYR 37 -1.489 -1.138 -1.764 206 HD1 TYR 37 HD1 TYR 37 -2.505 -2.602 -0.850 207 HD2 TYR 37 HD2 TYR 37 -1.183 -4.989 -4.114 208 HE1 TYR 37 HE1 TYR 37 -4.482 -4.041 -0.590 209 HE2 TYR 37 HE2 TYR 37 -3.157 -6.434 -3.864 210 HH TYR 37 HH TYR 37 -4.766 -7.047 -1.996 211 HB2 TYR 37 HB2 TYR 37 -0.041 -3.027 -3.613 212 HB3 TYR 37 HB1 TYR 37 0.208 -3.057 -1.871 213 H GLN 38 HN GLN 38 1.038 -0.788 -4.238 214 HA GLN 38 HA GLN 38 3.124 -0.097 -2.487 215 HB2 GLN 38 HB2 GLN 38 2.735 0.690 -5.380 216 HB3 GLN 38 HB1 GLN 38 4.245 0.805 -4.488 217 HG2 GLN 38 HG2 GLN 38 4.441 -1.543 -4.329 218 HG3 GLN 38 HG1 GLN 38 2.783 -1.788 -4.876 219 HE21 GLN 38 HE21 GLN 38 4.534 -3.218 -6.171 220 HE22 GLN 38 HE22 GLN 38 4.890 -2.576 -7.735 221 H HIS 39 HN HIS 39 0.713 1.863 -4.164 222 HA HIS 39 HA HIS 39 1.760 4.390 -3.556 223 HD1 HIS 39 HD1 HIS 39 -1.717 5.526 -6.185 224 HD2 HIS 39 HD2 HIS 39 2.264 4.428 -5.723 225 HE1 HIS 39 HE1 HIS 39 -0.553 6.328 -8.265 226 HE2 HIS 39 HE2 HIS 39 1.870 5.730 -7.924 227 HB2 HIS 39 HB2 HIS 39 -0.893 3.328 -4.369 228 HB3 HIS 39 HB1 HIS 39 -0.866 4.936 -3.652 229 H ALA 40 HN ALA 40 -0.504 2.325 -1.780 230 HA ALA 40 HA ALA 40 -1.149 4.110 0.272 231 HB1 ALA 40 HB3 ALA 40 -2.034 2.272 1.434 232 HB2 ALA 40 HB1 ALA 40 -0.909 1.144 0.677 233 HB3 ALA 40 HB2 ALA 40 -2.212 1.859 -0.271 234 H VAL 41 HN VAL 41 1.524 1.813 -0.031 235 HA VAL 41 HA VAL 41 2.558 2.199 2.579 236 HB VAL 41 HB VAL 41 4.122 1.346 0.142 237 HG11 VAL 41 HG11 VAL 41 4.635 0.227 2.828 238 HG12 VAL 41 HG12 VAL 41 5.086 1.913 2.578 239 HG13 VAL 41 HG13 VAL 41 5.761 0.657 1.541 240 HG21 VAL 41 HG23 VAL 41 3.499 -0.973 1.351 241 HG22 VAL 41 HG21 VAL 41 2.558 -0.282 0.030 242 HG23 VAL 41 HG22 VAL 41 2.038 -0.048 1.699 243 H GLN 42 HN GLN 42 3.151 3.770 -0.517 244 HA GLN 42 HA GLN 42 5.426 5.243 0.186 245 HB2 GLN 42 HB2 GLN 42 3.282 5.538 -1.871 246 HB3 GLN 42 HB1 GLN 42 4.376 6.887 -1.602 247 HG2 GLN 42 HG2 GLN 42 6.281 5.338 -2.000 248 HG3 GLN 42 HG1 GLN 42 5.111 4.092 -2.434 249 HE21 GLN 42 HE21 GLN 42 5.237 3.829 -4.548 250 HE22 GLN 42 HE22 GLN 42 5.212 5.090 -5.729 251 H TYR 43 HN TYR 43 1.984 6.114 0.364 252 HA TYR 43 HA TYR 43 2.476 8.679 1.512 253 HD1 TYR 43 HD1 TYR 43 1.169 10.245 0.024 254 HD2 TYR 43 HD2 TYR 43 -0.633 6.457 -0.684 255 HE1 TYR 43 HE1 TYR 43 0.868 10.837 -2.344 256 HE2 TYR 43 HE2 TYR 43 -0.938 7.038 -3.053 257 HH TYR 43 HH TYR 43 -0.832 10.041 -4.239 258 HB2 TYR 43 HB2 TYR 43 -0.061 7.031 1.479 259 HB3 TYR 43 HB1 TYR 43 0.046 8.739 1.890 260 H PHE 44 HN PHE 44 1.685 5.493 2.798 261 HA PHE 44 HA PHE 44 1.172 6.233 5.450 262 HD1 PHE 44 HD2 PHE 44 -0.210 5.345 6.589 263 HD2 PHE 44 HD1 PHE 44 0.223 2.339 3.608 264 HE1 PHE 44 HE2 PHE 44 -2.608 4.823 6.773 265 HE2 PHE 44 HE1 PHE 44 -2.174 1.812 3.786 266 HZ PHE 44 HZ PHE 44 -3.592 3.054 5.370 267 HB2 PHE 44 HB2 PHE 44 2.010 3.713 4.088 268 HB3 PHE 44 HB1 PHE 44 2.128 3.789 5.843 269 H LEU 45 HN LEU 45 4.201 5.074 3.973 270 HA LEU 45 HA LEU 45 5.799 5.317 6.258 271 HG LEU 45 HG LEU 45 5.649 3.301 3.951 272 HB2 LEU 45 HB2 LEU 45 6.538 5.515 3.339 273 HB3 LEU 45 HB1 LEU 45 7.705 5.402 4.642 274 HD11 LEU 45 HD11 LEU 45 7.141 2.944 2.289 275 HD12 LEU 45 HD12 LEU 45 8.010 2.106 3.575 276 HD13 LEU 45 HD13 LEU 45 8.454 3.757 3.142 277 HD21 LEU 45 HD23 LEU 45 7.656 3.573 6.146 278 HD22 LEU 45 HD21 LEU 45 7.249 1.975 5.519 279 HD23 LEU 45 HD22 LEU 45 5.990 2.998 6.211 280 H HIS 46 HN HIS 46 4.852 7.663 3.829 281 HA HIS 46 HA HIS 46 6.693 9.688 4.469 282 HD1 HIS 46 HD1 HIS 46 6.879 11.697 2.006 283 HD2 HIS 46 HD2 HIS 46 3.594 12.587 4.390 284 HE1 HIS 46 HE1 HIS 46 6.817 14.207 2.156 285 HE2 HIS 46 HE2 HIS 46 4.872 14.718 3.674 286 HB2 HIS 46 HB2 HIS 46 5.326 9.697 2.418 287 HB3 HIS 46 HB1 HIS 46 3.881 9.970 3.387 288 H VAL 47 HN VAL 47 3.525 8.880 5.790 289 HA VAL 47 HA VAL 47 3.171 11.163 7.388 290 HB VAL 47 HB VAL 47 2.175 8.380 8.006 291 HG11 VAL 47 HG11 VAL 47 1.656 11.062 9.102 292 HG12 VAL 47 HG12 VAL 47 1.501 9.476 9.856 293 HG13 VAL 47 HG13 VAL 47 0.227 10.076 8.794 294 HG21 VAL 47 HG23 VAL 47 0.622 8.525 6.393 295 HG22 VAL 47 HG21 VAL 47 1.710 9.712 5.673 296 HG23 VAL 47 HG22 VAL 47 0.356 10.247 6.668 297 H VAL 48 HN VAL 48 4.445 7.947 8.252 298 HA VAL 48 HA VAL 48 5.182 8.745 10.892 299 HB VAL 48 HB VAL 48 6.222 6.360 9.362 300 HG11 VAL 48 HG11 VAL 48 6.013 5.570 11.925 301 HG12 VAL 48 HG12 VAL 48 6.362 7.283 12.159 302 HG13 VAL 48 HG13 VAL 48 7.477 6.274 11.237 303 HG21 VAL 48 HG23 VAL 48 3.681 6.677 10.951 304 HG22 VAL 48 HG21 VAL 48 4.362 5.121 10.478 305 HG23 VAL 48 HG22 VAL 48 3.835 6.264 9.243 306 H LYS 49 HN LYS 49 6.855 8.505 7.808 307 HA LYS 49 HA LYS 49 9.488 8.773 8.713 308 HB2 LYS 49 HB2 LYS 49 8.936 8.137 6.417 309 HB3 LYS 49 HB1 LYS 49 8.256 9.732 6.123 310 HG2 LYS 49 HG2 LYS 49 10.428 9.641 5.141 311 HG3 LYS 49 HG1 LYS 49 10.500 10.706 6.546 312 HD2 LYS 49 HD2 LYS 49 11.129 8.318 7.670 313 HD3 LYS 49 HD1 LYS 49 11.817 8.123 6.057 314 HE2 LYS 49 HE2 LYS 49 13.199 10.023 6.313 315 HE3 LYS 49 HE1 LYS 49 12.326 10.554 7.750 316 HZ1 LYS 49 HZ3 LYS 49 14.500 9.512 8.227 317 HZ2 LYS 49 HZ1 LYS 49 13.916 8.052 7.601 318 HZ3 LYS 49 HZ2 LYS 49 13.208 8.725 8.981 319 H TYR 50 HN TYR 50 6.957 11.133 8.255 320 HA TYR 50 HA TYR 50 8.837 13.302 8.880 321 HD1 TYR 50 HD2 TYR 50 8.036 11.846 6.211 322 HD2 TYR 50 HD1 TYR 50 7.666 16.072 6.527 323 HE1 TYR 50 HE2 TYR 50 9.231 12.103 4.079 324 HE2 TYR 50 HE1 TYR 50 8.859 16.342 4.394 325 HH TYR 50 HH TYR 50 9.361 13.850 2.240 326 HB2 TYR 50 HB2 TYR 50 6.095 13.283 7.628 327 HB3 TYR 50 HB1 TYR 50 6.835 14.764 8.227 328 H GLU 51 HN GLU 51 5.456 12.450 9.655 329 HA GLU 51 HA GLU 51 5.811 12.451 12.438 330 HB2 GLU 51 HB2 GLU 51 4.548 14.586 12.933 331 HB3 GLU 51 HB1 GLU 51 6.199 14.791 12.363 332 HG2 GLU 51 HG2 GLU 51 5.560 15.850 10.500 333 HG3 GLU 51 HG1 GLU 51 4.179 14.785 10.245 334 H ALA 52 HN ALA 52 4.393 10.834 12.692 335 HA ALA 52 HA ALA 52 1.861 10.815 11.294 336 HB1 ALA 52 HB3 ALA 52 2.784 8.882 13.408 337 HB2 ALA 52 HB1 ALA 52 3.256 8.763 11.713 338 HB3 ALA 52 HB2 ALA 52 1.557 8.629 12.167 339 H GLN 53 HN GLN 53 0.111 9.726 13.059 340 HA GLN 53 HA GLN 53 -0.886 11.966 14.428 341 HB2 GLN 53 HB2 GLN 53 -1.583 9.065 14.918 342 HB3 GLN 53 HB1 GLN 53 -2.565 10.462 15.335 343 HG2 GLN 53 HG2 GLN 53 -1.818 9.645 12.536 344 HG3 GLN 53 HG1 GLN 53 -3.357 9.300 13.323 345 HE21 GLN 53 HE21 GLN 53 -1.913 11.276 11.189 346 HE22 GLN 53 HE22 GLN 53 -2.907 12.680 11.347 347 H GLY 54 HN GLY 54 0.908 9.133 15.568 348 HA2 GLY 54 HA2 GLY 54 2.065 10.555 17.730 349 HA3 GLY 54 HA1 GLY 54 0.738 9.561 18.310 350 H ASP 55 HN ASP 55 2.109 8.248 19.532 351 HA ASP 55 HA ASP 55 4.285 6.840 18.266 352 HB2 ASP 55 HB2 ASP 55 3.108 6.903 21.020 353 HB3 ASP 55 HB1 ASP 55 4.172 5.576 20.566 354 H LYS 56 HN LYS 56 1.233 5.830 19.814 355 HA LYS 56 HA LYS 56 1.361 3.144 19.034 356 HB2 LYS 56 HB2 LYS 56 -0.790 4.976 19.970 357 HB3 LYS 56 HB1 LYS 56 -1.281 3.462 19.222 358 HG2 LYS 56 HG2 LYS 56 0.668 3.608 21.505 359 HG3 LYS 56 HG1 LYS 56 -1.074 3.432 21.723 360 HD2 LYS 56 HD2 LYS 56 0.294 1.554 19.870 361 HD3 LYS 56 HD1 LYS 56 0.547 1.335 21.603 362 HE2 LYS 56 HE2 LYS 56 -2.070 1.572 21.683 363 HE3 LYS 56 HE1 LYS 56 -1.950 1.076 19.995 364 HZ1 LYS 56 HZ3 LYS 56 -0.740 -0.435 22.243 365 HZ2 LYS 56 HZ1 LYS 56 -0.880 -0.934 20.632 366 HZ3 LYS 56 HZ2 LYS 56 -2.263 -0.779 21.593 367 H ALA 57 HN ALA 57 0.186 5.991 17.363 368 HA ALA 57 HA ALA 57 -1.239 4.722 15.303 369 HB1 ALA 57 HB3 ALA 57 -0.404 6.950 14.070 370 HB2 ALA 57 HB1 ALA 57 -0.078 7.402 15.743 371 HB3 ALA 57 HB2 ALA 57 -1.708 6.935 15.258 372 H LYS 58 HN LYS 58 2.163 5.692 15.537 373 HA LYS 58 HA LYS 58 2.932 5.019 12.931 374 HB2 LYS 58 HB2 LYS 58 4.553 4.970 15.482 375 HB3 LYS 58 HB1 LYS 58 5.231 4.879 13.862 376 HG2 LYS 58 HG2 LYS 58 4.817 7.083 13.412 377 HG3 LYS 58 HG1 LYS 58 3.463 7.173 14.541 378 HD2 LYS 58 HD2 LYS 58 5.025 7.070 16.422 379 HD3 LYS 58 HD1 LYS 58 6.379 6.971 15.294 380 HE2 LYS 58 HE2 LYS 58 5.954 9.169 14.474 381 HE3 LYS 58 HE1 LYS 58 4.423 9.260 15.345 382 HZ1 LYS 58 HZ3 LYS 58 7.167 9.370 16.434 383 HZ2 LYS 58 HZ1 LYS 58 5.848 8.981 17.420 384 HZ3 LYS 58 HZ2 LYS 58 5.905 10.478 16.636 385 H GLN 59 HN GLN 59 2.845 3.080 15.892 386 HA GLN 59 HA GLN 59 4.058 0.769 14.877 387 HB2 GLN 59 HB2 GLN 59 2.255 1.384 17.164 388 HB3 GLN 59 HB1 GLN 59 2.433 -0.303 16.703 389 HG2 GLN 59 HG2 GLN 59 4.825 -0.175 17.018 390 HG3 GLN 59 HG1 GLN 59 4.708 1.547 17.379 391 HE21 GLN 59 HE21 GLN 59 4.088 2.202 19.384 392 HE22 GLN 59 HE22 GLN 59 3.830 1.124 20.708 393 H SER 60 HN SER 60 0.773 1.958 14.646 394 HA SER 60 HA SER 60 -0.388 -0.458 13.698 395 HG SER 60 HG SER 60 -2.633 1.095 12.075 396 HB2 SER 60 HB2 SER 60 -1.695 1.410 14.702 397 HB3 SER 60 HB1 SER 60 -1.354 2.379 13.268 398 H ILE 61 HN ILE 61 1.108 2.320 12.142 399 HA ILE 61 HA ILE 61 0.396 1.548 9.484 400 HB ILE 61 HB ILE 61 2.644 3.383 10.311 401 HG12 ILE 61 HG12 ILE 61 -0.196 4.167 9.643 402 HG13 ILE 61 HG11 ILE 61 0.385 3.969 11.293 403 HG21 ILE 61 HG21 ILE 61 1.135 2.956 7.749 404 HG22 ILE 61 HG22 ILE 61 2.874 2.865 8.029 405 HG23 ILE 61 HG23 ILE 61 2.055 4.427 8.068 406 HD11 ILE 61 HD13 ILE 61 0.327 6.321 10.334 407 HD12 ILE 61 HD11 ILE 61 1.718 5.835 9.366 408 HD13 ILE 61 HD12 ILE 61 1.816 5.806 11.127 409 H ARG 62 HN ARG 62 3.134 0.975 11.600 410 HA ARG 62 HA ARG 62 4.960 0.013 9.705 411 HE ARG 62 HE ARG 62 8.518 -1.119 11.852 412 HB2 ARG 62 HB2 ARG 62 4.604 -0.549 12.644 413 HB3 ARG 62 HB1 ARG 62 5.908 -1.267 11.707 414 HG2 ARG 62 HG2 ARG 62 6.257 1.300 11.037 415 HG3 ARG 62 HG1 ARG 62 5.545 1.507 12.639 416 HD2 ARG 62 HD2 ARG 62 7.883 1.414 12.966 417 HD3 ARG 62 HD1 ARG 62 7.253 -0.151 13.478 418 HH11 ARG 62 HH11 ARG 62 8.038 2.232 11.004 419 HH12 ARG 62 HH12 ARG 62 9.073 2.159 9.618 420 HH21 ARG 62 HH21 ARG 62 9.879 -1.217 10.029 421 HH22 ARG 62 HH22 ARG 62 10.118 0.201 9.063 422 H ALA 63 HN ALA 63 2.577 -1.723 11.692 423 HA ALA 63 HA ALA 63 3.182 -4.287 10.644 424 HB1 ALA 63 HB3 ALA 63 1.060 -3.127 12.352 425 HB2 ALA 63 HB1 ALA 63 2.089 -4.534 12.617 426 HB3 ALA 63 HB2 ALA 63 0.696 -4.651 11.542 427 H LYS 64 HN LYS 64 1.014 -1.722 9.662 428 HA LYS 64 HA LYS 64 -0.449 -3.318 7.784 429 HB2 LYS 64 HB2 LYS 64 -0.235 -0.334 8.190 430 HB3 LYS 64 HB1 LYS 64 -1.269 -1.071 6.973 431 HG2 LYS 64 HG2 LYS 64 -2.746 -1.886 8.519 432 HG3 LYS 64 HG1 LYS 64 -1.535 -1.957 9.801 433 HD2 LYS 64 HD2 LYS 64 -2.856 -0.168 10.455 434 HD3 LYS 64 HD1 LYS 64 -1.532 0.628 9.602 435 HE2 LYS 64 HE2 LYS 64 -3.257 1.689 8.582 436 HE3 LYS 64 HE1 LYS 64 -3.190 0.265 7.544 437 HZ1 LYS 64 HZ3 LYS 64 -5.116 0.908 9.679 438 HZ2 LYS 64 HZ1 LYS 64 -4.852 -0.702 9.232 439 HZ3 LYS 64 HZ2 LYS 64 -5.413 0.412 8.090 440 H CYS 65 HN CYS 65 2.212 -0.991 7.581 441 HA CYS 65 HA CYS 65 2.437 -0.902 4.792 442 HG CYS 65 HG CYS 65 4.181 1.932 5.279 443 HB2 CYS 65 HB2 CYS 65 4.328 -0.373 7.056 444 HB3 CYS 65 HB1 CYS 65 4.934 -0.384 5.403 445 H THR 66 HN THR 66 3.557 -3.242 7.128 446 HA THR 66 HA THR 66 5.263 -4.612 5.244 447 HB THR 66 HB THR 66 5.862 -4.601 7.606 448 HG1 THR 66 HG1 THR 66 6.255 -6.504 6.236 449 HG21 THR 66 HG23 THR 66 4.556 -6.045 9.184 450 HG22 THR 66 HG21 THR 66 3.240 -6.003 8.012 451 HG23 THR 66 HG22 THR 66 3.804 -4.508 8.758 452 H GLU 67 HN GLU 67 2.002 -4.890 6.464 453 HA GLU 67 HA GLU 67 1.478 -7.523 5.579 454 HB2 GLU 67 HB2 GLU 67 0.071 -6.372 7.228 455 HB3 GLU 67 HB1 GLU 67 -0.437 -5.221 5.999 456 HG2 GLU 67 HG2 GLU 67 -1.632 -6.878 4.809 457 HG3 GLU 67 HG1 GLU 67 -0.914 -8.176 5.761 458 H TYR 68 HN TYR 68 0.857 -4.352 4.098 459 HA TYR 68 HA TYR 68 -0.294 -5.407 1.726 460 HD1 TYR 68 HD1 TYR 68 -2.245 -4.564 2.027 461 HD2 TYR 68 HD2 TYR 68 -0.156 -1.154 3.479 462 HE1 TYR 68 HE1 TYR 68 -4.238 -3.894 3.302 463 HE2 TYR 68 HE2 TYR 68 -2.143 -0.475 4.759 464 HH TYR 68 HH TYR 68 -4.795 -0.966 4.440 465 HB2 TYR 68 HB2 TYR 68 0.990 -2.709 2.205 466 HB3 TYR 68 HB1 TYR 68 -0.030 -3.129 0.833 467 H LEU 69 HN LEU 69 2.969 -4.360 2.597 468 HA LEU 69 HA LEU 69 4.136 -4.549 0.058 469 HG LEU 69 HG LEU 69 4.822 -2.453 1.660 470 HB2 LEU 69 HB2 LEU 69 5.156 -4.633 2.857 471 HB3 LEU 69 HB1 LEU 69 6.239 -5.115 1.565 472 HD11 LEU 69 HD11 LEU 69 6.929 -1.504 2.382 473 HD12 LEU 69 HD12 LEU 69 7.669 -3.105 2.408 474 HD13 LEU 69 HD13 LEU 69 6.380 -2.710 3.545 475 HD21 LEU 69 HD23 LEU 69 5.843 -3.671 -0.502 476 HD22 LEU 69 HD21 LEU 69 7.298 -2.887 0.113 477 HD23 LEU 69 HD22 LEU 69 5.872 -1.923 -0.269 478 H ASP 70 HN ASP 70 3.383 -6.983 2.449 479 HA ASP 70 HA ASP 70 4.969 -9.057 1.309 480 HB2 ASP 70 HB2 ASP 70 3.890 -8.854 3.693 481 HB3 ASP 70 HB1 ASP 70 2.505 -9.620 2.919 482 H ARG 71 HN ARG 71 1.489 -8.316 1.184 483 HA ARG 71 HA ARG 71 0.838 -10.410 -0.595 484 HE ARG 71 HE ARG 71 -4.102 -10.110 -1.611 485 HB2 ARG 71 HB2 ARG 71 -0.705 -8.997 0.928 486 HB3 ARG 71 HB1 ARG 71 -0.727 -7.861 -0.414 487 HG2 ARG 71 HG2 ARG 71 -2.002 -9.205 -1.715 488 HG3 ARG 71 HG1 ARG 71 -1.319 -10.680 -1.046 489 HD2 ARG 71 HD2 ARG 71 -2.696 -10.600 0.846 490 HD3 ARG 71 HD1 ARG 71 -3.095 -8.904 0.586 491 HH11 ARG 71 HH11 ARG 71 -4.446 -10.720 1.808 492 HH12 ARG 71 HH12 ARG 71 -6.046 -11.360 1.660 493 HH21 ARG 71 HH21 ARG 71 -6.207 -10.960 -1.808 494 HH22 ARG 71 HH22 ARG 71 -7.046 -11.500 -0.393 495 H ALA 72 HN ALA 72 1.772 -7.058 -1.072 496 HA ALA 72 HA ALA 72 1.239 -7.012 -3.872 497 HB1 ALA 72 HB3 ALA 72 3.264 -5.175 -2.728 498 HB2 ALA 72 HB1 ALA 72 1.622 -5.073 -2.092 499 HB3 ALA 72 HB2 ALA 72 1.917 -4.843 -3.816 500 H GLU 73 HN GLU 73 4.060 -7.743 -1.901 501 HA GLU 73 HA GLU 73 5.996 -7.757 -3.927 502 HB2 GLU 73 HB2 GLU 73 5.758 -8.961 -1.215 503 HB3 GLU 73 HB1 GLU 73 7.013 -9.589 -2.275 504 HG2 GLU 73 HG2 GLU 73 6.775 -6.645 -1.932 505 HG3 GLU 73 HG1 GLU 73 7.481 -7.602 -0.631 506 H LYS 74 HN LYS 74 3.879 -10.320 -2.720 507 HA LYS 74 HA LYS 74 4.952 -12.320 -4.459 508 HB2 LYS 74 HB2 LYS 74 2.671 -12.140 -2.554 509 HB3 LYS 74 HB1 LYS 74 2.608 -13.390 -3.781 510 HG2 LYS 74 HG2 LYS 74 5.141 -13.160 -2.290 511 HG3 LYS 74 HG1 LYS 74 3.740 -13.720 -1.379 512 HD2 LYS 74 HD2 LYS 74 4.533 -14.910 -4.028 513 HD3 LYS 74 HD1 LYS 74 5.174 -15.500 -2.494 514 HE2 LYS 74 HE2 LYS 74 2.778 -15.780 -1.748 515 HE3 LYS 74 HE1 LYS 74 2.309 -15.470 -3.418 516 HZ1 LYS 74 HZ3 LYS 74 4.342 -17.510 -3.000 517 HZ2 LYS 74 HZ1 LYS 74 3.053 -17.480 -4.096 518 HZ3 LYS 74 HZ2 LYS 74 2.779 -17.900 -2.482 519 H LEU 75 HN LEU 75 2.199 -10.130 -4.564 520 HA LEU 75 HA LEU 75 0.855 -11.210 -6.757 521 HG LEU 75 HG LEU 75 -1.178 -10.370 -6.842 522 HB2 LEU 75 HB2 LEU 75 0.759 -8.811 -5.202 523 HB3 LEU 75 HB1 LEU 75 0.609 -8.405 -6.901 524 HD11 LEU 75 HD11 LEU 75 -1.428 -9.239 -4.068 525 HD12 LEU 75 HD12 LEU 75 -0.654 -10.780 -4.410 526 HD13 LEU 75 HD13 LEU 75 -2.357 -10.540 -4.801 527 HD21 LEU 75 HD23 LEU 75 -2.894 -8.590 -6.289 528 HD22 LEU 75 HD21 LEU 75 -1.776 -8.221 -7.602 529 HD23 LEU 75 HD22 LEU 75 -1.532 -7.504 -6.009 530 H LYS 76 HN LYS 76 3.287 -8.618 -6.684 531 HA LYS 76 HA LYS 76 3.424 -8.333 -9.499 532 HB2 LYS 76 HB2 LYS 76 5.455 -7.021 -9.065 533 HB3 LYS 76 HB1 LYS 76 4.139 -6.550 -7.997 534 HG2 LYS 76 HG2 LYS 76 5.191 -8.130 -6.291 535 HG3 LYS 76 HG1 LYS 76 6.607 -8.119 -7.344 536 HD2 LYS 76 HD2 LYS 76 5.493 -5.470 -6.713 537 HD3 LYS 76 HD1 LYS 76 6.175 -6.344 -5.340 538 HE2 LYS 76 HE2 LYS 76 8.299 -6.333 -6.213 539 HE3 LYS 76 HE1 LYS 76 7.728 -6.225 -7.878 540 HZ1 LYS 76 HZ3 LYS 76 7.506 -3.975 -7.756 541 HZ2 LYS 76 HZ1 LYS 76 8.793 -4.176 -6.675 542 HZ3 LYS 76 HZ2 LYS 76 7.221 -3.962 -6.089 543 H GLU 77 HN GLU 77 4.963 -10.460 -7.229 544 HA GLU 77 HA GLU 77 7.226 -11.250 -8.617 545 HB2 GLU 77 HB2 GLU 77 6.451 -11.930 -6.276 546 HB3 GLU 77 HB1 GLU 77 5.497 -13.170 -7.073 547 HG2 GLU 77 HG2 GLU 77 7.481 -14.230 -6.413 548 HG3 GLU 77 HG1 GLU 77 7.648 -13.950 -8.146 549 H TYR 78 HN TYR 78 4.028 -12.840 -8.697 550 HA TYR 78 HA TYR 78 4.731 -14.600 -10.800 551 HD1 TYR 78 HD1 TYR 78 1.233 -13.710 -12.260 552 HD2 TYR 78 HD2 TYR 78 1.479 -13.250 -8.038 553 HE1 TYR 78 HE1 TYR 78 -0.734 -12.240 -12.310 554 HE2 TYR 78 HE2 TYR 78 -0.489 -11.780 -8.080 555 HH TYR 78 HH TYR 78 -1.585 -10.240 -10.590 556 HB2 TYR 78 HB2 TYR 78 2.498 -15.340 -10.760 557 HB3 TYR 78 HB1 TYR 78 2.828 -14.850 -9.105 558 H LEU 79 HN LEU 79 3.238 -11.420 -10.700 559 HA LEU 79 HA LEU 79 2.369 -11.300 -13.380 560 HG LEU 79 HG LEU 79 0.997 -10.340 -10.990 561 HB2 LEU 79 HB2 LEU 79 3.156 -9.182 -11.400 562 HB3 LEU 79 HB1 LEU 79 2.601 -8.786 -13.010 563 HD11 LEU 79 HD11 LEU 79 1.571 -7.721 -10.780 564 HD12 LEU 79 HD12 LEU 79 0.057 -8.447 -10.240 565 HD13 LEU 79 HD13 LEU 79 0.143 -7.655 -11.810 566 HD21 LEU 79 HD23 LEU 79 -0.863 -9.935 -12.530 567 HD22 LEU 79 HD21 LEU 79 0.419 -10.880 -13.290 568 HD23 LEU 79 HD22 LEU 79 0.251 -9.166 -13.660 569 H LYS 80 HN LYS 80 5.479 -10.660 -11.880 570 HA LYS 80 HA LYS 80 6.628 -9.589 -14.300 571 HB2 LYS 80 HB2 LYS 80 7.532 -10.050 -11.510 572 HB3 LYS 80 HB1 LYS 80 8.778 -10.070 -12.750 573 HG2 LYS 80 HG2 LYS 80 8.609 -7.861 -13.160 574 HG3 LYS 80 HG1 LYS 80 6.873 -7.824 -12.850 575 HD2 LYS 80 HD2 LYS 80 7.771 -8.387 -10.380 576 HD3 LYS 80 HD1 LYS 80 9.148 -7.472 -10.990 577 HE2 LYS 80 HE2 LYS 80 6.277 -6.546 -10.960 578 HE3 LYS 80 HE1 LYS 80 7.544 -6.020 -9.859 579 HZ1 LYS 80 HZ3 LYS 80 6.912 -4.702 -12.060 580 HZ2 LYS 80 HZ1 LYS 80 8.105 -5.722 -12.690 581 HZ3 LYS 80 HZ2 LYS 80 8.470 -4.691 -11.400 582 H ASN 81 HN ASN 81 6.474 -12.660 -12.660 583 HA ASN 81 HA ASN 81 8.532 -13.910 -14.200 584 HB2 ASN 81 HB2 ASN 81 7.600 -14.590 -11.870 585 HB3 ASN 81 HB1 ASN 81 6.349 -15.420 -12.790 586 HD21 ASN 81 HD21 ASN 81 6.932 -17.150 -14.140 587 HD22 ASN 81 HD22 ASN 81 8.416 -18.000 -13.910 Start of MODEL 8 1 H ASN 10 HN ASN 10 -1.445 13.854 4.105 2 HA ASN 10 HA ASN 10 -1.015 12.068 1.837 3 HB2 ASN 10 HB2 ASN 10 0.699 12.360 4.308 4 HB3 ASN 10 HB1 ASN 10 1.152 11.633 2.769 5 HD21 ASN 10 HD21 ASN 10 1.888 14.113 4.534 6 HD22 ASN 10 HD22 ASN 10 2.100 15.352 3.350 7 H LEU 11 HN LEU 11 -1.849 11.988 5.248 8 HA LEU 11 HA LEU 11 -1.669 9.168 5.550 9 HG LEU 11 HG LEU 11 -3.747 8.632 7.426 10 HB2 LEU 11 HB2 LEU 11 -1.580 10.677 7.463 11 HB3 LEU 11 HB1 LEU 11 -3.215 11.219 7.136 12 HD11 LEU 11 HD11 LEU 11 -1.784 7.589 7.888 13 HD12 LEU 11 HD12 LEU 11 -2.232 8.056 9.529 14 HD13 LEU 11 HD13 LEU 11 -1.066 9.021 8.624 15 HD21 LEU 11 HD23 LEU 11 -3.308 10.613 9.654 16 HD22 LEU 11 HD21 LEU 11 -4.205 9.104 9.819 17 HD23 LEU 11 HD22 LEU 11 -4.787 10.362 8.728 18 H GLN 12 HN GLN 12 -4.377 11.379 4.933 19 HA GLN 12 HA GLN 12 -6.421 9.464 4.940 20 HB2 GLN 12 HB2 GLN 12 -6.685 11.976 4.963 21 HB3 GLN 12 HB1 GLN 12 -6.356 11.956 3.236 22 HG2 GLN 12 HG2 GLN 12 -8.626 11.935 3.202 23 HG3 GLN 12 HG1 GLN 12 -8.313 10.200 3.221 24 HE21 GLN 12 HE21 GLN 12 -9.217 12.962 5.179 25 HE22 GLN 12 HE22 GLN 12 -9.989 12.061 6.435 26 H LYS 13 HN LYS 13 -4.146 10.423 2.458 27 HA LYS 13 HA LYS 13 -5.475 9.090 0.311 28 HB2 LYS 13 HB2 LYS 13 -3.916 10.946 -0.079 29 HB3 LYS 13 HB1 LYS 13 -2.597 9.980 0.567 30 HG2 LYS 13 HG2 LYS 13 -2.558 10.025 -1.864 31 HG3 LYS 13 HG1 LYS 13 -2.845 8.392 -1.261 32 HD2 LYS 13 HD2 LYS 13 -5.074 8.406 -1.914 33 HD3 LYS 13 HD1 LYS 13 -5.147 10.169 -1.970 34 HE2 LYS 13 HE2 LYS 13 -3.256 9.691 -3.839 35 HE3 LYS 13 HE1 LYS 13 -4.240 8.237 -4.003 36 HZ1 LYS 13 HZ3 LYS 13 -6.126 9.500 -4.528 37 HZ2 LYS 13 HZ1 LYS 13 -4.877 10.208 -5.423 38 HZ3 LYS 13 HZ2 LYS 13 -5.427 10.949 -4.006 39 H ALA 14 HN ALA 14 -3.074 8.188 2.688 40 HA ALA 14 HA ALA 14 -2.251 5.773 1.428 41 HB1 ALA 14 HB3 ALA 14 -1.026 5.329 3.380 42 HB2 ALA 14 HB1 ALA 14 -2.104 6.304 4.380 43 HB3 ALA 14 HB2 ALA 14 -1.019 7.086 3.231 44 H ILE 15 HN ILE 15 -4.754 6.603 3.759 45 HA ILE 15 HA ILE 15 -5.477 3.873 4.287 46 HB ILE 15 HB ILE 15 -7.130 6.334 4.845 47 HG12 ILE 15 HG12 ILE 15 -5.207 5.021 6.764 48 HG13 ILE 15 HG11 ILE 15 -4.735 6.379 5.746 49 HG21 ILE 15 HG21 ILE 15 -8.076 4.951 6.641 50 HG22 ILE 15 HG22 ILE 15 -7.084 3.595 6.104 51 HG23 ILE 15 HG23 ILE 15 -8.340 4.241 5.048 52 HD11 ILE 15 HD13 ILE 15 -5.659 6.666 8.226 53 HD12 ILE 15 HD11 ILE 15 -7.189 6.718 7.351 54 HD13 ILE 15 HD12 ILE 15 -5.912 7.871 6.963 55 H ASP 16 HN ASP 16 -6.622 6.450 2.182 56 HA ASP 16 HA ASP 16 -9.036 5.284 1.364 57 HB2 ASP 16 HB2 ASP 16 -7.983 7.662 0.911 58 HB3 ASP 16 HB1 ASP 16 -7.408 6.890 -0.564 59 H LEU 17 HN LEU 17 -5.765 5.030 0.016 60 HA LEU 17 HA LEU 17 -6.531 3.335 -2.143 61 HG LEU 17 HG LEU 17 -5.214 5.616 -2.474 62 HB2 LEU 17 HB2 LEU 17 -3.864 3.956 -0.886 63 HB3 LEU 17 HB1 LEU 17 -4.039 2.891 -2.267 64 HD11 LEU 17 HD11 LEU 17 -3.253 6.506 -1.785 65 HD12 LEU 17 HD12 LEU 17 -2.772 6.123 -3.438 66 HD13 LEU 17 HD13 LEU 17 -2.340 5.034 -2.120 67 HD21 LEU 17 HD23 LEU 17 -5.519 4.081 -4.300 68 HD22 LEU 17 HD21 LEU 17 -3.788 3.750 -4.364 69 HD23 LEU 17 HD22 LEU 17 -4.397 5.347 -4.799 70 H ALA 18 HN ALA 18 -5.322 2.794 1.117 71 HA ALA 18 HA ALA 18 -4.743 0.064 0.919 72 HB1 ALA 18 HB3 ALA 18 -4.648 0.035 3.255 73 HB2 ALA 18 HB1 ALA 18 -5.848 1.318 3.410 74 HB3 ALA 18 HB2 ALA 18 -4.226 1.693 2.826 75 H SER 19 HN SER 19 -7.760 1.727 1.751 76 HA SER 19 HA SER 19 -9.245 -0.621 2.300 77 HG SER 19 HG SER 19 -10.530 0.266 3.768 78 HB2 SER 19 HB2 SER 19 -9.864 2.253 1.867 79 HB3 SER 19 HB1 SER 19 -11.180 1.112 1.630 80 H LYS 20 HN LYS 20 -8.867 1.366 -0.608 81 HA LYS 20 HA LYS 20 -10.700 -0.112 -2.189 82 HB2 LYS 20 HB2 LYS 20 -9.653 2.274 -2.533 83 HB3 LYS 20 HB1 LYS 20 -8.415 1.380 -3.405 84 HG2 LYS 20 HG2 LYS 20 -10.060 0.496 -4.926 85 HG3 LYS 20 HG1 LYS 20 -11.360 1.276 -4.013 86 HD2 LYS 20 HD2 LYS 20 -11.100 2.889 -5.577 87 HD3 LYS 20 HD1 LYS 20 -9.798 3.407 -4.508 88 HE2 LYS 20 HE2 LYS 20 -8.233 2.016 -5.855 89 HE3 LYS 20 HE1 LYS 20 -9.556 1.688 -6.973 90 HZ1 LYS 20 HZ3 LYS 20 -8.193 4.253 -6.441 91 HZ2 LYS 20 HZ1 LYS 20 -9.729 4.210 -7.150 92 HZ3 LYS 20 HZ2 LYS 20 -8.421 3.464 -7.920 93 H ALA 21 HN ALA 21 -7.203 -0.264 -1.735 94 HA ALA 21 HA ALA 21 -6.612 -2.117 -3.747 95 HB1 ALA 21 HB3 ALA 21 -5.137 -2.073 -1.140 96 HB2 ALA 21 HB1 ALA 21 -5.030 -0.720 -2.266 97 HB3 ALA 21 HB2 ALA 21 -4.513 -2.330 -2.769 98 H ALA 22 HN ALA 22 -7.429 -2.627 -0.326 99 HA ALA 22 HA ALA 22 -7.164 -5.411 -0.291 100 HB1 ALA 22 HB3 ALA 22 -8.943 -3.611 1.346 101 HB2 ALA 22 HB1 ALA 22 -7.326 -4.180 1.762 102 HB3 ALA 22 HB2 ALA 22 -8.670 -5.320 1.686 103 H GLN 23 HN GLN 23 -9.888 -3.355 -1.184 104 HA GLN 23 HA GLN 23 -11.720 -5.529 -1.505 105 HB2 GLN 23 HB2 GLN 23 -11.790 -2.629 -2.326 106 HB3 GLN 23 HB1 GLN 23 -13.090 -3.749 -2.709 107 HG2 GLN 23 HG2 GLN 23 -12.820 -4.181 -0.055 108 HG3 GLN 23 HG1 GLN 23 -12.370 -2.479 -0.164 109 HE21 GLN 23 HE21 GLN 23 -14.720 -3.739 1.043 110 HE22 GLN 23 HE22 GLN 23 -16.090 -3.028 0.272 111 H GLU 24 HN GLU 24 -9.477 -3.821 -3.564 112 HA GLU 24 HA GLU 24 -10.460 -4.620 -6.065 113 HB2 GLU 24 HB2 GLU 24 -7.751 -3.799 -5.079 114 HB3 GLU 24 HB1 GLU 24 -7.973 -4.339 -6.737 115 HG2 GLU 24 HG2 GLU 24 -9.670 -2.162 -5.581 116 HG3 GLU 24 HG1 GLU 24 -8.066 -1.827 -6.233 117 H ASP 25 HN ASP 25 -7.893 -6.066 -4.068 118 HA ASP 25 HA ASP 25 -7.373 -8.255 -5.734 119 HB2 ASP 25 HB2 ASP 25 -5.955 -7.471 -3.807 120 HB3 ASP 25 HB1 ASP 25 -7.119 -8.226 -2.722 121 H LYS 26 HN LYS 26 -9.467 -8.035 -2.863 122 HA LYS 26 HA LYS 26 -10.410 -10.670 -2.958 123 HB2 LYS 26 HB2 LYS 26 -10.670 -8.671 -1.188 124 HB3 LYS 26 HB1 LYS 26 -12.240 -8.562 -1.965 125 HG2 LYS 26 HG2 LYS 26 -12.970 -10.520 -1.096 126 HG3 LYS 26 HG1 LYS 26 -11.360 -11.250 -1.140 127 HD2 LYS 26 HD2 LYS 26 -12.080 -10.920 1.158 128 HD3 LYS 26 HD1 LYS 26 -10.700 -9.888 0.788 129 HE2 LYS 26 HE2 LYS 26 -12.610 -8.169 0.175 130 HE3 LYS 26 HE1 LYS 26 -13.540 -9.168 1.295 131 HZ1 LYS 26 HZ3 LYS 26 -11.360 -8.811 2.734 132 HZ2 LYS 26 HZ1 LYS 26 -12.650 -7.712 2.761 133 HZ3 LYS 26 HZ2 LYS 26 -11.280 -7.392 1.817 134 H ALA 27 HN ALA 27 -11.500 -7.734 -4.543 135 HA ALA 27 HA ALA 27 -13.940 -8.799 -5.530 136 HB1 ALA 27 HB3 ALA 27 -12.350 -6.480 -6.609 137 HB2 ALA 27 HB1 ALA 27 -13.510 -6.381 -5.284 138 HB3 ALA 27 HB2 ALA 27 -14.050 -6.815 -6.904 139 H GLY 28 HN GLY 28 -10.640 -8.877 -6.633 140 HA2 GLY 28 HA2 GLY 28 -10.150 -10.790 -8.121 141 HA3 GLY 28 HA1 GLY 28 -11.540 -10.300 -9.063 142 H ASN 29 HN ASN 29 -9.161 -8.117 -7.680 143 HA ASN 29 HA ASN 29 -8.109 -7.606 -10.370 144 HB2 ASN 29 HB2 ASN 29 -9.077 -5.573 -8.366 145 HB3 ASN 29 HB1 ASN 29 -8.025 -5.153 -9.714 146 HD21 ASN 29 HD21 ASN 29 -10.190 -3.800 -9.786 147 HD22 ASN 29 HD22 ASN 29 -11.350 -4.415 -10.900 148 H TYR 30 HN TYR 30 -6.191 -8.665 -9.977 149 HA TYR 30 HA TYR 30 -4.626 -8.026 -7.629 150 HD1 TYR 30 HD2 TYR 30 -6.518 -10.000 -8.048 151 HD2 TYR 30 HD1 TYR 30 -2.553 -11.500 -7.715 152 HE1 TYR 30 HE2 TYR 30 -7.307 -11.710 -6.471 153 HE2 TYR 30 HE1 TYR 30 -3.331 -13.220 -6.137 154 HH TYR 30 HH TYR 30 -6.175 -14.270 -5.814 155 HB2 TYR 30 HB2 TYR 30 -4.275 -9.890 -9.958 156 HB3 TYR 30 HB1 TYR 30 -2.920 -9.529 -8.894 157 H GLU 31 HN GLU 31 -4.715 -7.181 -11.010 158 HA GLU 31 HA GLU 31 -2.135 -6.028 -11.180 159 HB2 GLU 31 HB2 GLU 31 -4.627 -5.931 -12.810 160 HB3 GLU 31 HB1 GLU 31 -3.415 -4.689 -13.090 161 HG2 GLU 31 HG2 GLU 31 -1.745 -6.550 -13.390 162 HG3 GLU 31 HG1 GLU 31 -3.112 -7.663 -13.380 163 H GLU 32 HN GLU 32 -5.343 -4.512 -10.820 164 HA GLU 32 HA GLU 32 -4.319 -1.906 -10.390 165 HB2 GLU 32 HB2 GLU 32 -6.679 -2.578 -11.120 166 HB3 GLU 32 HB1 GLU 32 -6.993 -2.895 -9.423 167 HG2 GLU 32 HG2 GLU 32 -7.701 -0.766 -9.446 168 HG3 GLU 32 HG1 GLU 32 -5.986 -0.419 -9.235 169 H ALA 33 HN ALA 33 -5.377 -4.475 -8.204 170 HA ALA 33 HA ALA 33 -5.172 -3.032 -5.807 171 HB1 ALA 33 HB3 ALA 33 -4.783 -5.990 -6.249 172 HB2 ALA 33 HB1 ALA 33 -6.326 -5.180 -5.975 173 HB3 ALA 33 HB2 ALA 33 -5.105 -5.206 -4.702 174 H LEU 34 HN LEU 34 -2.781 -4.837 -7.663 175 HA LEU 34 HA LEU 34 -0.715 -4.863 -5.774 176 HG LEU 34 HG LEU 34 1.626 -4.220 -7.840 177 HB2 LEU 34 HB2 LEU 34 -0.642 -6.216 -7.788 178 HB3 LEU 34 HB1 LEU 34 -0.584 -4.777 -8.788 179 HD11 LEU 34 HD11 LEU 34 2.793 -5.671 -6.390 180 HD12 LEU 34 HD12 LEU 34 1.576 -6.936 -6.554 181 HD13 LEU 34 HD13 LEU 34 1.194 -5.454 -5.678 182 HD21 LEU 34 HD23 LEU 34 2.828 -5.704 -9.170 183 HD22 LEU 34 HD21 LEU 34 1.216 -5.727 -9.886 184 HD23 LEU 34 HD22 LEU 34 1.733 -7.044 -8.834 185 H GLN 35 HN GLN 35 -1.343 -2.554 -8.413 186 HA GLN 35 HA GLN 35 0.784 -0.814 -7.751 187 HB2 GLN 35 HB2 GLN 35 -1.684 -0.578 -9.433 188 HB3 GLN 35 HB1 GLN 35 -0.726 0.856 -9.091 189 HG2 GLN 35 HG2 GLN 35 1.222 -0.802 -9.891 190 HG3 GLN 35 HG1 GLN 35 -0.130 -1.459 -10.810 191 HE21 GLN 35 HE21 GLN 35 1.282 1.685 -9.962 192 HE22 GLN 35 HE22 GLN 35 1.095 2.386 -11.530 193 H LEU 36 HN LEU 36 -2.512 -1.092 -6.635 194 HA LEU 36 HA LEU 36 -2.592 1.466 -5.350 195 HG LEU 36 HG LEU 36 -4.427 0.800 -7.127 196 HB2 LEU 36 HB2 LEU 36 -4.317 -0.994 -5.183 197 HB3 LEU 36 HB1 LEU 36 -4.605 0.411 -4.175 198 HD11 LEU 36 HD11 LEU 36 -5.905 -1.174 -6.745 199 HD12 LEU 36 HD12 LEU 36 -6.716 0.216 -7.466 200 HD13 LEU 36 HD13 LEU 36 -6.935 -0.143 -5.753 201 HD21 LEU 36 HD23 LEU 36 -4.675 2.806 -5.980 202 HD22 LEU 36 HD21 LEU 36 -5.784 2.109 -4.799 203 HD23 LEU 36 HD22 LEU 36 -6.327 2.407 -6.450 204 H TYR 37 HN TYR 37 -1.915 -1.846 -4.326 205 HA TYR 37 HA TYR 37 -1.804 -1.412 -1.566 206 HD1 TYR 37 HD2 TYR 37 -2.861 -2.792 -0.586 207 HD2 TYR 37 HD1 TYR 37 -1.708 -5.333 -3.797 208 HE1 TYR 37 HE2 TYR 37 -4.904 -4.122 -0.260 209 HE2 TYR 37 HE1 TYR 37 -3.748 -6.669 -3.481 210 HH TYR 37 HH TYR 37 -5.383 -7.154 -1.760 211 HB2 TYR 37 HB2 TYR 37 -0.463 -3.415 -3.369 212 HB3 TYR 37 HB1 TYR 37 -0.187 -3.416 -1.631 213 H GLN 38 HN GLN 38 0.646 -1.009 -4.071 214 HA GLN 38 HA GLN 38 2.791 -0.461 -2.285 215 HB2 GLN 38 HB2 GLN 38 2.447 0.221 -5.210 216 HB3 GLN 38 HB1 GLN 38 3.949 0.385 -4.312 217 HG2 GLN 38 HG2 GLN 38 3.574 -2.143 -3.788 218 HG3 GLN 38 HG1 GLN 38 2.539 -2.077 -5.213 219 HE21 GLN 38 HE21 GLN 38 3.443 -1.849 -7.216 220 HE22 GLN 38 HE22 GLN 38 5.145 -1.931 -7.506 221 H HIS 39 HN HIS 39 0.462 1.542 -4.018 222 HA HIS 39 HA HIS 39 1.603 4.045 -3.486 223 HD1 HIS 39 HD1 HIS 39 -1.840 5.248 -6.122 224 HD2 HIS 39 HD2 HIS 39 2.083 3.952 -5.676 225 HE1 HIS 39 HE1 HIS 39 -0.666 5.917 -8.242 226 HE2 HIS 39 HE2 HIS 39 1.684 5.047 -7.985 227 HB2 HIS 39 HB2 HIS 39 -1.098 3.061 -4.244 228 HB3 HIS 39 HB1 HIS 39 -0.996 4.691 -3.587 229 H ALA 40 HN ALA 40 -0.804 2.172 -1.667 230 HA ALA 40 HA ALA 40 -1.292 4.044 0.353 231 HB1 ALA 40 HB3 ALA 40 -1.411 1.033 0.465 232 HB2 ALA 40 HB1 ALA 40 -2.727 2.127 0.040 233 HB3 ALA 40 HB2 ALA 40 -2.083 2.118 1.682 234 H VAL 41 HN VAL 41 1.142 1.483 0.119 235 HA VAL 41 HA VAL 41 2.206 1.803 2.715 236 HB VAL 41 HB VAL 41 3.683 0.816 0.273 237 HG11 VAL 41 HG11 VAL 41 4.084 0.052 3.156 238 HG12 VAL 41 HG12 VAL 41 4.990 1.341 2.363 239 HG13 VAL 41 HG13 VAL 41 5.121 -0.318 1.779 240 HG21 VAL 41 HG23 VAL 41 2.513 -1.149 2.114 241 HG22 VAL 41 HG21 VAL 41 2.604 -1.155 0.353 242 HG23 VAL 41 HG22 VAL 41 1.342 -0.232 1.168 243 H GLN 42 HN GLN 42 2.899 3.356 -0.362 244 HA GLN 42 HA GLN 42 5.290 4.644 0.384 245 HB2 GLN 42 HB2 GLN 42 3.262 5.000 -1.765 246 HB3 GLN 42 HB1 GLN 42 4.366 6.335 -1.461 247 HG2 GLN 42 HG2 GLN 42 5.466 3.589 -1.798 248 HG3 GLN 42 HG1 GLN 42 4.941 4.492 -3.218 249 HE21 GLN 42 HE21 GLN 42 6.105 6.249 -3.896 250 HE22 GLN 42 HE22 GLN 42 7.651 6.667 -3.248 251 H TYR 43 HN TYR 43 1.921 5.789 0.392 252 HA TYR 43 HA TYR 43 2.530 8.332 1.494 253 HD1 TYR 43 HD1 TYR 43 1.312 9.945 0.009 254 HD2 TYR 43 HD2 TYR 43 -0.671 6.245 -0.684 255 HE1 TYR 43 HE1 TYR 43 1.057 10.533 -2.365 256 HE2 TYR 43 HE2 TYR 43 -0.931 6.823 -3.060 257 HH TYR 43 HH TYR 43 -0.703 9.779 -4.270 258 HB2 TYR 43 HB2 TYR 43 -0.080 6.802 1.476 259 HB3 TYR 43 HB1 TYR 43 0.095 8.507 1.878 260 H PHE 44 HN PHE 44 1.670 5.220 2.879 261 HA PHE 44 HA PHE 44 1.159 6.088 5.507 262 HD1 PHE 44 HD2 PHE 44 -0.274 5.255 6.720 263 HD2 PHE 44 HD1 PHE 44 -0.005 2.248 3.721 264 HE1 PHE 44 HE2 PHE 44 -2.698 4.871 6.894 265 HE2 PHE 44 HE1 PHE 44 -2.429 1.859 3.888 266 HZ PHE 44 HZ PHE 44 -3.778 3.171 5.477 267 HB2 PHE 44 HB2 PHE 44 1.865 3.477 4.240 268 HB3 PHE 44 HB1 PHE 44 1.969 3.613 5.992 269 H LEU 45 HN LEU 45 4.111 4.667 4.100 270 HA LEU 45 HA LEU 45 5.711 4.966 6.387 271 HG LEU 45 HG LEU 45 5.348 2.831 4.228 272 HB2 LEU 45 HB2 LEU 45 6.518 4.897 3.478 273 HB3 LEU 45 HB1 LEU 45 7.622 4.723 4.829 274 HD11 LEU 45 HD11 LEU 45 6.745 2.288 2.522 275 HD12 LEU 45 HD12 LEU 45 7.514 1.353 3.805 276 HD13 LEU 45 HD13 LEU 45 8.173 2.921 3.340 277 HD21 LEU 45 HD23 LEU 45 5.816 2.737 6.538 278 HD22 LEU 45 HD21 LEU 45 7.556 2.835 6.268 279 HD23 LEU 45 HD22 LEU 45 6.675 1.375 5.819 280 H HIS 46 HN HIS 46 4.875 7.180 3.816 281 HA HIS 46 HA HIS 46 6.878 9.101 4.188 282 HD1 HIS 46 HD1 HIS 46 6.948 10.923 1.518 283 HD2 HIS 46 HD2 HIS 46 4.058 12.219 4.207 284 HE1 HIS 46 HE1 HIS 46 7.097 13.434 1.506 285 HE2 HIS 46 HE2 HIS 46 5.280 14.198 3.076 286 HB2 HIS 46 HB2 HIS 46 5.347 9.081 2.256 287 HB3 HIS 46 HB1 HIS 46 4.013 9.530 3.313 288 H VAL 47 HN VAL 47 3.747 8.675 5.769 289 HA VAL 47 HA VAL 47 3.881 11.073 7.296 290 HB VAL 47 HB VAL 47 2.290 8.596 7.964 291 HG11 VAL 47 HG11 VAL 47 1.255 11.308 8.487 292 HG12 VAL 47 HG12 VAL 47 2.625 10.797 9.474 293 HG13 VAL 47 HG13 VAL 47 1.143 9.841 9.459 294 HG21 VAL 47 HG23 VAL 47 1.960 10.596 5.821 295 HG22 VAL 47 HG21 VAL 47 0.509 10.199 6.741 296 HG23 VAL 47 HG22 VAL 47 1.403 8.925 5.912 297 H VAL 48 HN VAL 48 4.930 7.766 7.821 298 HA VAL 48 HA VAL 48 5.534 8.145 10.603 299 HB VAL 48 HB VAL 48 6.551 5.954 8.794 300 HG11 VAL 48 HG11 VAL 48 6.500 4.689 10.997 301 HG12 VAL 48 HG12 VAL 48 6.306 6.261 11.774 302 HG13 VAL 48 HG13 VAL 48 7.750 5.920 10.820 303 HG21 VAL 48 HG23 VAL 48 4.025 6.284 8.814 304 HG22 VAL 48 HG21 VAL 48 4.088 5.796 10.508 305 HG23 VAL 48 HG22 VAL 48 4.626 4.683 9.249 306 H LYS 49 HN LYS 49 7.317 8.262 7.573 307 HA LYS 49 HA LYS 49 9.899 8.439 8.769 308 HB2 LYS 49 HB2 LYS 49 9.086 7.891 6.278 309 HB3 LYS 49 HB1 LYS 49 9.424 9.605 6.076 310 HG2 LYS 49 HG2 LYS 49 11.675 8.874 7.313 311 HG3 LYS 49 HG1 LYS 49 11.268 7.345 6.530 312 HD2 LYS 49 HD2 LYS 49 12.372 8.235 4.778 313 HD3 LYS 49 HD1 LYS 49 10.848 9.079 4.495 314 HE2 LYS 49 HE2 LYS 49 11.981 10.764 6.251 315 HE3 LYS 49 HE1 LYS 49 13.432 10.101 5.501 316 HZ1 LYS 49 HZ3 LYS 49 12.861 10.945 3.448 317 HZ2 LYS 49 HZ1 LYS 49 12.324 12.173 4.482 318 HZ3 LYS 49 HZ2 LYS 49 11.217 11.077 3.823 319 H TYR 50 HN TYR 50 7.557 10.801 7.576 320 HA TYR 50 HA TYR 50 9.277 13.044 8.109 321 HD1 TYR 50 HD2 TYR 50 8.411 11.491 5.665 322 HD2 TYR 50 HD1 TYR 50 7.467 15.634 5.873 323 HE1 TYR 50 HE2 TYR 50 9.329 11.808 3.406 324 HE2 TYR 50 HE1 TYR 50 8.381 15.962 3.614 325 HH TYR 50 HH TYR 50 10.216 13.554 2.006 326 HB2 TYR 50 HB2 TYR 50 6.419 12.740 7.231 327 HB3 TYR 50 HB1 TYR 50 7.048 14.313 7.712 328 H GLU 51 HN GLU 51 5.996 12.419 9.344 329 HA GLU 51 HA GLU 51 6.783 12.546 12.080 330 HB2 GLU 51 HB2 GLU 51 5.430 14.668 12.533 331 HB3 GLU 51 HB1 GLU 51 7.028 14.871 11.827 332 HG2 GLU 51 HG2 GLU 51 6.202 15.536 9.797 333 HG3 GLU 51 HG1 GLU 51 4.669 14.694 10.022 334 H ALA 52 HN ALA 52 5.528 10.792 12.484 335 HA ALA 52 HA ALA 52 2.873 10.489 11.494 336 HB1 ALA 52 HB3 ALA 52 2.953 8.407 12.375 337 HB2 ALA 52 HB1 ALA 52 3.681 8.955 13.886 338 HB3 ALA 52 HB2 ALA 52 4.681 8.753 12.447 339 H GLN 53 HN GLN 53 1.345 9.641 13.569 340 HA GLN 53 HA GLN 53 0.598 12.143 14.799 341 HB2 GLN 53 HB2 GLN 53 -0.668 9.438 15.234 342 HB3 GLN 53 HB1 GLN 53 -1.391 11.017 15.509 343 HG2 GLN 53 HG2 GLN 53 -1.047 11.380 12.989 344 HG3 GLN 53 HG1 GLN 53 -0.831 9.632 12.919 345 HE21 GLN 53 HE21 GLN 53 -2.701 9.524 11.603 346 HE22 GLN 53 HE22 GLN 53 -4.280 9.619 12.298 347 H GLY 54 HN GLY 54 1.381 8.879 16.016 348 HA2 GLY 54 HA2 GLY 54 2.808 10.025 18.255 349 HA3 GLY 54 HA1 GLY 54 1.310 9.220 18.694 350 H ASP 55 HN ASP 55 3.180 8.063 19.927 351 HA ASP 55 HA ASP 55 4.869 6.267 18.600 352 HB2 ASP 55 HB2 ASP 55 4.843 6.993 21.085 353 HB3 ASP 55 HB1 ASP 55 3.686 5.683 21.304 354 H LYS 56 HN LYS 56 1.648 5.753 20.021 355 HA LYS 56 HA LYS 56 1.447 3.034 19.278 356 HB2 LYS 56 HB2 LYS 56 -0.932 3.262 19.790 357 HB3 LYS 56 HB1 LYS 56 0.050 4.032 21.028 358 HG2 LYS 56 HG2 LYS 56 -0.381 6.142 19.434 359 HG3 LYS 56 HG1 LYS 56 -1.844 5.212 19.102 360 HD2 LYS 56 HD2 LYS 56 -2.617 6.301 20.924 361 HD3 LYS 56 HD1 LYS 56 -1.764 5.019 21.787 362 HE2 LYS 56 HE2 LYS 56 -0.040 6.396 22.409 363 HE3 LYS 56 HE1 LYS 56 -0.257 7.470 21.027 364 HZ1 LYS 56 HZ3 LYS 56 -1.883 7.349 23.501 365 HZ2 LYS 56 HZ1 LYS 56 -2.383 8.186 22.118 366 HZ3 LYS 56 HZ2 LYS 56 -0.969 8.649 22.922 367 H ALA 57 HN ALA 57 0.571 6.033 17.663 368 HA ALA 57 HA ALA 57 -0.948 4.930 15.569 369 HB1 ALA 57 HB3 ALA 57 0.676 7.319 14.960 370 HB2 ALA 57 HB1 ALA 57 -0.406 7.441 16.347 371 HB3 ALA 57 HB2 ALA 57 -1.053 7.037 14.757 372 H LYS 58 HN LYS 58 2.518 5.588 15.865 373 HA LYS 58 HA LYS 58 3.257 4.962 13.237 374 HB2 LYS 58 HB2 LYS 58 4.832 4.666 15.800 375 HB3 LYS 58 HB1 LYS 58 5.522 4.571 14.186 376 HG2 LYS 58 HG2 LYS 58 5.307 6.821 13.809 377 HG3 LYS 58 HG1 LYS 58 3.965 6.992 14.943 378 HD2 LYS 58 HD2 LYS 58 5.658 6.455 16.772 379 HD3 LYS 58 HD1 LYS 58 6.898 6.719 15.545 380 HE2 LYS 58 HE2 LYS 58 5.535 8.952 15.165 381 HE3 LYS 58 HE1 LYS 58 5.048 8.659 16.833 382 HZ1 LYS 58 HZ3 LYS 58 7.710 9.264 15.755 383 HZ2 LYS 58 HZ1 LYS 58 7.594 8.337 17.166 384 HZ3 LYS 58 HZ2 LYS 58 6.935 9.894 17.120 385 H GLN 59 HN GLN 59 2.996 2.915 16.118 386 HA GLN 59 HA GLN 59 3.990 0.550 14.994 387 HB2 GLN 59 HB2 GLN 59 2.203 1.187 17.304 388 HB3 GLN 59 HB1 GLN 59 2.360 -0.488 16.790 389 HG2 GLN 59 HG2 GLN 59 4.960 0.274 16.899 390 HG3 GLN 59 HG1 GLN 59 4.259 1.246 18.192 391 HE21 GLN 59 HE21 GLN 59 2.466 -0.243 19.374 392 HE22 GLN 59 HE22 GLN 59 3.130 -1.720 19.976 393 H SER 60 HN SER 60 0.823 2.035 14.851 394 HA SER 60 HA SER 60 -0.585 -0.209 13.850 395 HG SER 60 HG SER 60 -3.294 1.397 14.435 396 HB2 SER 60 HB2 SER 60 -1.363 2.199 14.773 397 HB3 SER 60 HB1 SER 60 -1.479 2.503 13.040 398 H ILE 61 HN ILE 61 1.129 2.460 12.295 399 HA ILE 61 HA ILE 61 0.373 1.778 9.641 400 HB ILE 61 HB ILE 61 2.827 3.318 10.486 401 HG12 ILE 61 HG12 ILE 61 0.019 4.319 9.961 402 HG13 ILE 61 HG11 ILE 61 0.816 4.268 11.530 403 HG21 ILE 61 HG21 ILE 61 1.236 3.253 7.928 404 HG22 ILE 61 HG22 ILE 61 2.891 2.692 8.169 405 HG23 ILE 61 HG23 ILE 61 2.518 4.412 8.279 406 HD11 ILE 61 HD13 ILE 61 0.718 6.479 10.158 407 HD12 ILE 61 HD11 ILE 61 2.092 5.776 9.305 408 HD13 ILE 61 HD12 ILE 61 2.178 6.043 11.047 409 H ARG 62 HN ARG 62 3.023 0.851 11.745 410 HA ARG 62 HA ARG 62 4.703 -0.314 9.818 411 HE ARG 62 HE ARG 62 8.597 1.322 13.452 412 HB2 ARG 62 HB2 ARG 62 4.382 -0.534 12.768 413 HB3 ARG 62 HB1 ARG 62 5.308 -1.790 11.957 414 HG2 ARG 62 HG2 ARG 62 6.952 -0.305 11.260 415 HG3 ARG 62 HG1 ARG 62 5.910 1.102 11.482 416 HD2 ARG 62 HD2 ARG 62 6.335 1.235 13.703 417 HD3 ARG 62 HD1 ARG 62 6.464 -0.513 13.892 418 HH11 ARG 62 HH11 ARG 62 7.548 -1.943 12.806 419 HH12 ARG 62 HH12 ARG 62 9.157 -2.563 12.651 420 HH21 ARG 62 HH21 ARG 62 10.715 0.509 13.248 421 HH22 ARG 62 HH22 ARG 62 10.955 -1.171 12.903 422 H ALA 63 HN ALA 63 2.018 -1.633 11.700 423 HA ALA 63 HA ALA 63 2.338 -4.307 10.757 424 HB1 ALA 63 HB3 ALA 63 1.172 -3.570 12.887 425 HB2 ALA 63 HB1 ALA 63 0.361 -4.811 11.933 426 HB3 ALA 63 HB2 ALA 63 -0.200 -3.140 11.866 427 H LYS 64 HN LYS 64 0.634 -1.483 9.624 428 HA LYS 64 HA LYS 64 -0.957 -2.956 7.713 429 HB2 LYS 64 HB2 LYS 64 -0.528 0.014 8.080 430 HB3 LYS 64 HB1 LYS 64 -1.670 -0.703 6.951 431 HG2 LYS 64 HG2 LYS 64 -3.162 -1.197 8.563 432 HG3 LYS 64 HG1 LYS 64 -1.915 -1.581 9.751 433 HD2 LYS 64 HD2 LYS 64 -2.793 0.354 10.636 434 HD3 LYS 64 HD1 LYS 64 -1.465 0.996 9.668 435 HE2 LYS 64 HE2 LYS 64 -3.221 2.378 9.074 436 HE3 LYS 64 HE1 LYS 64 -3.246 1.167 7.793 437 HZ1 LYS 64 HZ3 LYS 64 -5.418 1.112 8.347 438 HZ2 LYS 64 HZ1 LYS 64 -5.162 1.649 9.931 439 HZ3 LYS 64 HZ2 LYS 64 -4.882 0.030 9.531 440 H CYS 65 HN CYS 65 1.946 -0.959 7.704 441 HA CYS 65 HA CYS 65 2.258 -0.795 4.905 442 HG CYS 65 HG CYS 65 3.893 2.002 6.533 443 HB2 CYS 65 HB2 CYS 65 3.996 -0.340 7.276 444 HB3 CYS 65 HB1 CYS 65 4.795 -0.563 5.723 445 H THR 66 HN THR 66 3.103 -3.241 7.250 446 HA THR 66 HA THR 66 4.729 -4.722 5.359 447 HB THR 66 HB THR 66 5.335 -4.676 7.747 448 HG1 THR 66 HG1 THR 66 4.537 -7.273 6.944 449 HG21 THR 66 HG23 THR 66 3.827 -4.924 9.338 450 HG22 THR 66 HG21 THR 66 3.607 -6.599 8.834 451 HG23 THR 66 HG22 THR 66 2.589 -5.332 8.150 452 H GLU 67 HN GLU 67 1.475 -4.741 6.608 453 HA GLU 67 HA GLU 67 0.773 -7.361 5.784 454 HB2 GLU 67 HB2 GLU 67 -0.522 -6.116 7.454 455 HB3 GLU 67 HB1 GLU 67 -0.982 -4.939 6.231 456 HG2 GLU 67 HG2 GLU 67 -2.352 -6.471 5.110 457 HG3 GLU 67 HG1 GLU 67 -1.640 -7.849 5.948 458 H TYR 68 HN TYR 68 0.327 -4.169 4.290 459 HA TYR 68 HA TYR 68 -0.894 -5.224 1.931 460 HD1 TYR 68 HD1 TYR 68 -2.821 -4.394 2.573 461 HD2 TYR 68 HD2 TYR 68 -0.623 -0.914 3.647 462 HE1 TYR 68 HE1 TYR 68 -4.658 -3.698 4.052 463 HE2 TYR 68 HE2 TYR 68 -2.454 -0.208 5.130 464 HH TYR 68 HH TYR 68 -4.970 -0.629 5.278 465 HB2 TYR 68 HB2 TYR 68 0.391 -2.514 2.313 466 HB3 TYR 68 HB1 TYR 68 -0.778 -2.963 1.075 467 H LEU 69 HN LEU 69 2.362 -4.168 2.804 468 HA LEU 69 HA LEU 69 3.525 -4.294 0.261 469 HG LEU 69 HG LEU 69 4.183 -2.249 2.100 470 HB2 LEU 69 HB2 LEU 69 4.572 -4.499 3.052 471 HB3 LEU 69 HB1 LEU 69 5.642 -4.864 1.712 472 HD11 LEU 69 HD11 LEU 69 6.831 -3.238 2.961 473 HD12 LEU 69 HD12 LEU 69 5.782 -2.018 3.683 474 HD13 LEU 69 HD13 LEU 69 6.771 -1.612 2.280 475 HD21 LEU 69 HD23 LEU 69 5.989 -1.600 0.341 476 HD22 LEU 69 HD21 LEU 69 4.496 -2.380 -0.181 477 HD23 LEU 69 HD22 LEU 69 5.979 -3.324 -0.031 478 H ASP 70 HN ASP 70 3.180 -6.778 2.766 479 HA ASP 70 HA ASP 70 4.619 -8.802 1.446 480 HB2 ASP 70 HB2 ASP 70 3.776 -8.701 3.891 481 HB3 ASP 70 HB1 ASP 70 2.277 -9.366 3.248 482 H ARG 71 HN ARG 71 1.176 -7.967 1.418 483 HA ARG 71 HA ARG 71 0.379 -10.120 -0.239 484 HE ARG 71 HE ARG 71 -4.143 -9.341 -0.776 485 HB2 ARG 71 HB2 ARG 71 -0.860 -7.601 0.727 486 HB3 ARG 71 HB1 ARG 71 -1.582 -8.368 -0.681 487 HG2 ARG 71 HG2 ARG 71 -1.572 -10.500 0.762 488 HG3 ARG 71 HG1 ARG 71 -1.355 -9.396 2.116 489 HD2 ARG 71 HD2 ARG 71 -3.645 -9.554 2.046 490 HD3 ARG 71 HD1 ARG 71 -3.375 -8.145 1.022 491 HH11 ARG 71 HH11 ARG 71 -3.478 -11.540 1.852 492 HH12 ARG 71 HH12 ARG 71 -4.198 -12.900 1.061 493 HH21 ARG 71 HH21 ARG 71 -5.091 -11.130 -1.818 494 HH22 ARG 71 HH22 ARG 71 -5.113 -12.660 -1.023 495 H ALA 72 HN ALA 72 1.376 -6.807 -0.879 496 HA ALA 72 HA ALA 72 0.801 -6.931 -3.683 497 HB1 ALA 72 HB3 ALA 72 1.328 -4.734 -3.731 498 HB2 ALA 72 HB1 ALA 72 2.752 -4.941 -2.712 499 HB3 ALA 72 HB2 ALA 72 1.148 -4.882 -1.983 500 H GLU 73 HN GLU 73 3.628 -7.455 -1.663 501 HA GLU 73 HA GLU 73 5.592 -7.486 -3.658 502 HB2 GLU 73 HB2 GLU 73 5.350 -8.618 -0.913 503 HB3 GLU 73 HB1 GLU 73 6.650 -9.217 -1.934 504 HG2 GLU 73 HG2 GLU 73 6.891 -6.529 -2.267 505 HG3 GLU 73 HG1 GLU 73 6.340 -6.637 -0.595 506 H LYS 74 HN LYS 74 3.474 -10.040 -2.447 507 HA LYS 74 HA LYS 74 4.657 -12.100 -4.018 508 HB2 LYS 74 HB2 LYS 74 2.242 -11.830 -2.299 509 HB3 LYS 74 HB1 LYS 74 2.262 -13.140 -3.470 510 HG2 LYS 74 HG2 LYS 74 4.684 -13.490 -2.381 511 HG3 LYS 74 HG1 LYS 74 3.839 -12.780 -1.007 512 HD2 LYS 74 HD2 LYS 74 1.997 -14.500 -1.513 513 HD3 LYS 74 HD1 LYS 74 3.228 -15.320 -2.481 514 HE2 LYS 74 HE2 LYS 74 4.593 -15.710 -0.613 515 HE3 LYS 74 HE1 LYS 74 3.729 -14.530 0.372 516 HZ1 LYS 74 HZ3 LYS 74 2.412 -16.970 -0.650 517 HZ2 LYS 74 HZ1 LYS 74 1.914 -15.960 0.611 518 HZ3 LYS 74 HZ2 LYS 74 3.261 -16.970 0.812 519 H LEU 75 HN LEU 75 1.929 -9.921 -4.434 520 HA LEU 75 HA LEU 75 0.761 -11.110 -6.677 521 HG LEU 75 HG LEU 75 -1.411 -10.210 -6.715 522 HB2 LEU 75 HB2 LEU 75 0.663 -8.505 -5.350 523 HB3 LEU 75 HB1 LEU 75 0.341 -8.429 -7.072 524 HD11 LEU 75 HD11 LEU 75 -1.958 -10.990 -4.673 525 HD12 LEU 75 HD12 LEU 75 -1.594 -9.467 -3.871 526 HD13 LEU 75 HD13 LEU 75 -0.287 -10.570 -4.300 527 HD21 LEU 75 HD23 LEU 75 -1.660 -7.595 -6.755 528 HD22 LEU 75 HD21 LEU 75 -2.138 -7.843 -5.075 529 HD23 LEU 75 HD22 LEU 75 -3.030 -8.637 -6.373 530 H LYS 76 HN LYS 76 3.156 -8.484 -6.514 531 HA LYS 76 HA LYS 76 3.507 -8.269 -9.308 532 HB2 LYS 76 HB2 LYS 76 5.478 -6.940 -8.780 533 HB3 LYS 76 HB1 LYS 76 4.142 -6.490 -7.729 534 HG2 LYS 76 HG2 LYS 76 5.116 -7.446 -5.862 535 HG3 LYS 76 HG1 LYS 76 6.156 -8.501 -6.821 536 HD2 LYS 76 HD2 LYS 76 7.748 -6.922 -7.065 537 HD3 LYS 76 HD1 LYS 76 6.570 -5.619 -7.238 538 HE2 LYS 76 HE2 LYS 76 7.259 -6.955 -4.625 539 HE3 LYS 76 HE1 LYS 76 7.986 -5.453 -5.193 540 HZ1 LYS 76 HZ3 LYS 76 5.072 -5.580 -5.128 541 HZ2 LYS 76 HZ1 LYS 76 6.106 -4.283 -4.793 542 HZ3 LYS 76 HZ2 LYS 76 5.866 -5.495 -3.638 543 H GLU 77 HN GLU 77 4.860 -10.380 -6.906 544 HA GLU 77 HA GLU 77 7.190 -11.220 -8.169 545 HB2 GLU 77 HB2 GLU 77 6.194 -11.810 -5.831 546 HB3 GLU 77 HB1 GLU 77 5.453 -13.160 -6.683 547 HG2 GLU 77 HG2 GLU 77 7.473 -14.180 -7.112 548 HG3 GLU 77 HG1 GLU 77 8.381 -12.670 -6.959 549 H TYR 78 HN TYR 78 3.956 -12.720 -8.343 550 HA TYR 78 HA TYR 78 4.772 -14.510 -10.430 551 HD1 TYR 78 HD1 TYR 78 1.176 -14.110 -11.810 552 HD2 TYR 78 HD2 TYR 78 1.481 -13.290 -7.655 553 HE1 TYR 78 HE1 TYR 78 -0.927 -12.840 -11.920 554 HE2 TYR 78 HE2 TYR 78 -0.623 -12.020 -7.748 555 HH TYR 78 HH TYR 78 -2.012 -10.960 -10.560 556 HB2 TYR 78 HB2 TYR 78 2.647 -15.460 -10.270 557 HB3 TYR 78 HB1 TYR 78 2.934 -14.870 -8.644 558 H LEU 79 HN LEU 79 2.991 -11.480 -10.240 559 HA LEU 79 HA LEU 79 1.995 -11.380 -12.840 560 HG LEU 79 HG LEU 79 0.533 -10.550 -10.680 561 HB2 LEU 79 HB2 LEU 79 2.729 -9.302 -10.830 562 HB3 LEU 79 HB1 LEU 79 2.255 -8.818 -12.440 563 HD11 LEU 79 HD11 LEU 79 0.955 -7.640 -10.670 564 HD12 LEU 79 HD12 LEU 79 0.359 -8.709 -9.409 565 HD13 LEU 79 HD13 LEU 79 -0.725 -8.175 -10.690 566 HD21 LEU 79 HD23 LEU 79 -1.192 -10.100 -12.220 567 HD22 LEU 79 HD21 LEU 79 0.220 -10.500 -13.200 568 HD23 LEU 79 HD22 LEU 79 -0.272 -8.823 -13.000 569 H LYS 80 HN LYS 80 5.187 -10.740 -11.590 570 HA LYS 80 HA LYS 80 6.106 -9.575 -14.080 571 HB2 LYS 80 HB2 LYS 80 7.215 -9.952 -11.360 572 HB3 LYS 80 HB1 LYS 80 8.376 -9.934 -12.680 573 HG2 LYS 80 HG2 LYS 80 7.817 -7.744 -13.290 574 HG3 LYS 80 HG1 LYS 80 6.320 -7.775 -12.350 575 HD2 LYS 80 HD2 LYS 80 7.373 -7.309 -10.400 576 HD3 LYS 80 HD1 LYS 80 8.816 -8.227 -10.840 577 HE2 LYS 80 HE2 LYS 80 9.157 -5.752 -10.650 578 HE3 LYS 80 HE1 LYS 80 9.633 -6.451 -12.200 579 HZ1 LYS 80 HZ3 LYS 80 7.668 -5.627 -13.210 580 HZ2 LYS 80 HZ1 LYS 80 8.353 -4.339 -12.350 581 HZ3 LYS 80 HZ2 LYS 80 7.008 -5.152 -11.730 582 H ASN 81 HN ASN 81 6.207 -12.630 -12.400 583 HA ASN 81 HA ASN 81 8.217 -13.790 -14.080 584 HB2 ASN 81 HB2 ASN 81 7.441 -14.460 -11.650 585 HB3 ASN 81 HB1 ASN 81 6.264 -15.440 -12.520 586 HD21 ASN 81 HD21 ASN 81 9.597 -14.990 -11.730 587 HD22 ASN 81 HD22 ASN 81 10.167 -16.500 -12.360 Start of MODEL 9 1 H ASN 10 HN ASN 10 -1.474 13.577 2.691 2 HA ASN 10 HA ASN 10 -1.411 11.646 0.577 3 HB2 ASN 10 HB2 ASN 10 0.505 12.017 2.890 4 HB3 ASN 10 HB1 ASN 10 0.812 11.085 1.427 5 HD21 ASN 10 HD21 ASN 10 1.936 12.080 -0.069 6 HD22 ASN 10 HD22 ASN 10 2.050 13.789 -0.295 7 H LEU 11 HN LEU 11 -2.043 11.586 4.017 8 HA LEU 11 HA LEU 11 -1.886 8.743 4.285 9 HG LEU 11 HG LEU 11 -3.789 8.267 6.361 10 HB2 LEU 11 HB2 LEU 11 -1.539 10.215 6.196 11 HB3 LEU 11 HB1 LEU 11 -3.174 10.830 6.045 12 HD11 LEU 11 HD11 LEU 11 -0.991 8.529 7.338 13 HD12 LEU 11 HD12 LEU 11 -1.794 7.167 6.558 14 HD13 LEU 11 HD13 LEU 11 -2.120 7.530 8.252 15 HD21 LEU 11 HD23 LEU 11 -3.951 8.718 8.803 16 HD22 LEU 11 HD21 LEU 11 -4.611 10.004 7.792 17 HD23 LEU 11 HD22 LEU 11 -3.028 10.199 8.545 18 H GLN 12 HN GLN 12 -4.476 11.070 3.727 19 HA GLN 12 HA GLN 12 -6.658 9.347 4.062 20 HB2 GLN 12 HB2 GLN 12 -6.589 11.918 3.740 21 HB3 GLN 12 HB1 GLN 12 -6.640 11.552 2.021 22 HG2 GLN 12 HG2 GLN 12 -8.661 10.155 3.606 23 HG3 GLN 12 HG1 GLN 12 -8.810 11.911 3.617 24 HE21 GLN 12 HE21 GLN 12 -9.679 12.894 1.905 25 HE22 GLN 12 HE22 GLN 12 -10.100 12.117 0.422 26 H LYS 13 HN LYS 13 -4.594 9.974 1.276 27 HA LYS 13 HA LYS 13 -6.160 8.400 -0.534 28 HB2 LYS 13 HB2 LYS 13 -4.301 10.307 -0.910 29 HB3 LYS 13 HB1 LYS 13 -3.290 8.882 -1.107 30 HG2 LYS 13 HG2 LYS 13 -5.345 8.187 -2.680 31 HG3 LYS 13 HG1 LYS 13 -5.432 9.943 -2.832 32 HD2 LYS 13 HD2 LYS 13 -2.768 9.539 -3.115 33 HD3 LYS 13 HD1 LYS 13 -3.404 8.051 -3.819 34 HE2 LYS 13 HE2 LYS 13 -4.628 10.646 -4.614 35 HE3 LYS 13 HE1 LYS 13 -3.051 10.221 -5.276 36 HZ1 LYS 13 HZ3 LYS 13 -4.365 7.956 -5.688 37 HZ2 LYS 13 HZ1 LYS 13 -4.325 9.215 -6.818 38 HZ3 LYS 13 HZ2 LYS 13 -5.658 9.042 -5.791 39 H ALA 14 HN ALA 14 -3.366 7.843 1.520 40 HA ALA 14 HA ALA 14 -2.533 5.383 0.480 41 HB1 ALA 14 HB3 ALA 14 -1.305 5.091 2.486 42 HB2 ALA 14 HB1 ALA 14 -2.388 6.154 3.385 43 HB3 ALA 14 HB2 ALA 14 -1.318 6.823 2.154 44 H ILE 15 HN ILE 15 -5.005 6.171 2.873 45 HA ILE 15 HA ILE 15 -5.575 3.424 3.491 46 HB ILE 15 HB ILE 15 -7.318 5.818 4.065 47 HG12 ILE 15 HG12 ILE 15 -5.258 4.642 5.928 48 HG13 ILE 15 HG11 ILE 15 -4.893 5.996 4.862 49 HG21 ILE 15 HG21 ILE 15 -7.118 3.066 5.268 50 HG22 ILE 15 HG22 ILE 15 -8.488 3.771 4.410 51 HG23 ILE 15 HG23 ILE 15 -8.027 4.391 5.995 52 HD11 ILE 15 HD13 ILE 15 -5.463 6.701 7.140 53 HD12 ILE 15 HD11 ILE 15 -7.059 5.977 6.950 54 HD13 ILE 15 HD12 ILE 15 -6.584 7.340 5.937 55 H ASP 16 HN ASP 16 -6.799 5.829 1.270 56 HA ASP 16 HA ASP 16 -9.210 4.473 0.603 57 HB2 ASP 16 HB2 ASP 16 -8.415 6.966 0.175 58 HB3 ASP 16 HB1 ASP 16 -7.868 6.286 -1.355 59 H LEU 17 HN LEU 17 -6.012 4.657 -0.932 60 HA LEU 17 HA LEU 17 -6.633 2.999 -3.128 61 HG LEU 17 HG LEU 17 -5.388 5.441 -3.099 62 HB2 LEU 17 HB2 LEU 17 -3.990 3.601 -1.802 63 HB3 LEU 17 HB1 LEU 17 -4.154 2.737 -3.318 64 HD11 LEU 17 HD11 LEU 17 -2.993 6.111 -4.081 65 HD12 LEU 17 HD12 LEU 17 -2.498 4.852 -2.951 66 HD13 LEU 17 HD13 LEU 17 -3.406 6.248 -2.372 67 HD21 LEU 17 HD23 LEU 17 -3.845 4.246 -5.376 68 HD22 LEU 17 HD21 LEU 17 -5.084 5.501 -5.413 69 HD23 LEU 17 HD22 LEU 17 -5.534 3.828 -5.086 70 H ALA 18 HN ALA 18 -5.314 2.317 0.077 71 HA ALA 18 HA ALA 18 -4.709 -0.399 -0.346 72 HB1 ALA 18 HB3 ALA 18 -5.115 -0.433 2.258 73 HB2 ALA 18 HB1 ALA 18 -5.135 1.318 2.046 74 HB3 ALA 18 HB2 ALA 18 -3.718 0.386 1.559 75 H SER 19 HN SER 19 -7.636 1.208 0.837 76 HA SER 19 HA SER 19 -9.091 -1.089 1.510 77 HG SER 19 HG SER 19 -10.530 0.670 3.142 78 HB2 SER 19 HB2 SER 19 -9.973 1.662 0.629 79 HB3 SER 19 HB1 SER 19 -11.110 0.410 1.124 80 H LYS 20 HN LYS 20 -8.999 0.763 -1.524 81 HA LYS 20 HA LYS 20 -10.820 -0.909 -2.904 82 HB2 LYS 20 HB2 LYS 20 -9.841 1.519 -3.419 83 HB3 LYS 20 HB1 LYS 20 -8.743 0.579 -4.421 84 HG2 LYS 20 HG2 LYS 20 -10.610 -0.366 -5.634 85 HG3 LYS 20 HG1 LYS 20 -11.740 0.501 -4.595 86 HD2 LYS 20 HD2 LYS 20 -11.600 1.813 -6.532 87 HD3 LYS 20 HD1 LYS 20 -10.550 2.625 -5.370 88 HE2 LYS 20 HE2 LYS 20 -8.797 0.933 -6.531 89 HE3 LYS 20 HE1 LYS 20 -9.893 1.230 -7.880 90 HZ1 LYS 20 HZ3 LYS 20 -9.437 3.499 -7.846 91 HZ2 LYS 20 HZ1 LYS 20 -7.922 2.789 -7.595 92 HZ3 LYS 20 HZ2 LYS 20 -8.770 3.455 -6.292 93 H ALA 21 HN ALA 21 -7.367 -0.997 -2.412 94 HA ALA 21 HA ALA 21 -6.758 -2.871 -4.452 95 HB1 ALA 21 HB3 ALA 21 -5.154 -1.332 -3.198 96 HB2 ALA 21 HB1 ALA 21 -4.605 -2.975 -3.530 97 HB3 ALA 21 HB2 ALA 21 -5.179 -2.546 -1.918 98 H ALA 22 HN ALA 22 -7.324 -3.228 -0.958 99 HA ALA 22 HA ALA 22 -6.949 -5.997 -0.813 100 HB1 ALA 22 HB3 ALA 22 -8.982 -4.763 0.956 101 HB2 ALA 22 HB1 ALA 22 -7.342 -4.118 1.027 102 HB3 ALA 22 HB2 ALA 22 -7.633 -5.828 1.348 103 H GLN 23 HN GLN 23 -9.724 -4.085 -1.765 104 HA GLN 23 HA GLN 23 -11.530 -6.324 -1.773 105 HB2 GLN 23 HB2 GLN 23 -11.700 -3.439 -2.537 106 HB3 GLN 23 HB1 GLN 23 -12.920 -4.551 -3.143 107 HG2 GLN 23 HG2 GLN 23 -13.300 -5.249 -0.753 108 HG3 GLN 23 HG1 GLN 23 -12.290 -3.888 -0.284 109 HE21 GLN 23 HE21 GLN 23 -13.040 -1.941 -1.994 110 HE22 GLN 23 HE22 GLN 23 -14.700 -1.533 -1.753 111 H GLU 24 HN GLU 24 -9.575 -4.590 -4.113 112 HA GLU 24 HA GLU 24 -10.690 -5.695 -6.451 113 HB2 GLU 24 HB2 GLU 24 -8.008 -4.489 -5.819 114 HB3 GLU 24 HB1 GLU 24 -8.366 -5.135 -7.414 115 HG2 GLU 24 HG2 GLU 24 -10.230 -3.164 -6.193 116 HG3 GLU 24 HG1 GLU 24 -8.712 -2.604 -6.885 117 H ASP 25 HN ASP 25 -7.869 -6.668 -4.518 118 HA ASP 25 HA ASP 25 -7.190 -8.903 -6.103 119 HB2 ASP 25 HB2 ASP 25 -5.648 -7.824 -4.483 120 HB3 ASP 25 HB1 ASP 25 -6.627 -8.459 -3.163 121 H LYS 26 HN LYS 26 -9.146 -8.578 -3.164 122 HA LYS 26 HA LYS 26 -9.674 -11.310 -2.797 123 HB2 LYS 26 HB2 LYS 26 -10.900 -8.771 -1.859 124 HB3 LYS 26 HB1 LYS 26 -11.840 -10.250 -1.676 125 HG2 LYS 26 HG2 LYS 26 -9.586 -11.130 -0.630 126 HG3 LYS 26 HG1 LYS 26 -9.330 -9.410 -0.338 127 HD2 LYS 26 HD2 LYS 26 -11.930 -10.670 0.403 128 HD3 LYS 26 HD1 LYS 26 -10.530 -10.870 1.456 129 HE2 LYS 26 HE2 LYS 26 -11.260 -8.949 2.370 130 HE3 LYS 26 HE1 LYS 26 -10.430 -8.212 0.999 131 HZ1 LYS 26 HZ3 LYS 26 -12.490 -7.252 0.873 132 HZ2 LYS 26 HZ1 LYS 26 -13.310 -8.629 1.421 133 HZ3 LYS 26 HZ2 LYS 26 -12.710 -8.573 -0.160 134 H ALA 27 HN ALA 27 -11.140 -8.894 -4.846 135 HA ALA 27 HA ALA 27 -13.460 -10.420 -5.492 136 HB1 ALA 27 HB3 ALA 27 -13.300 -7.934 -5.645 137 HB2 ALA 27 HB1 ALA 27 -13.960 -8.721 -7.080 138 HB3 ALA 27 HB2 ALA 27 -12.290 -8.149 -7.074 139 H GLY 28 HN GLY 28 -10.360 -9.803 -7.097 140 HA2 GLY 28 HA2 GLY 28 -9.849 -12.200 -8.191 141 HA3 GLY 28 HA1 GLY 28 -11.040 -11.550 -9.304 142 H ASN 29 HN ASN 29 -10.110 -8.793 -8.943 143 HA ASN 29 HA ASN 29 -8.146 -8.785 -11.000 144 HB2 ASN 29 HB2 ASN 29 -9.113 -6.504 -9.268 145 HB3 ASN 29 HB1 ASN 29 -8.201 -6.344 -10.760 146 HD21 ASN 29 HD21 ASN 29 -10.380 -4.982 -10.800 147 HD22 ASN 29 HD22 ASN 29 -11.650 -5.749 -11.690 148 H TYR 30 HN TYR 30 -6.041 -9.082 -10.760 149 HA TYR 30 HA TYR 30 -4.820 -8.518 -8.152 150 HD1 TYR 30 HD1 TYR 30 -6.508 -10.600 -8.494 151 HD2 TYR 30 HD2 TYR 30 -2.475 -11.830 -7.919 152 HE1 TYR 30 HE1 TYR 30 -7.253 -12.250 -6.832 153 HE2 TYR 30 HE2 TYR 30 -3.209 -13.480 -6.256 154 HH TYR 30 HH TYR 30 -5.970 -13.440 -4.714 155 HB2 TYR 30 HB2 TYR 30 -4.198 -10.480 -10.320 156 HB3 TYR 30 HB1 TYR 30 -2.916 -9.960 -9.240 157 H GLU 31 HN GLU 31 -4.537 -7.940 -11.600 158 HA GLU 31 HA GLU 31 -2.059 -6.637 -11.620 159 HB2 GLU 31 HB2 GLU 31 -4.439 -6.688 -13.410 160 HB3 GLU 31 HB1 GLU 31 -3.272 -5.395 -13.650 161 HG2 GLU 31 HG2 GLU 31 -1.501 -7.191 -13.770 162 HG3 GLU 31 HG1 GLU 31 -2.822 -8.355 -13.850 163 H GLU 32 HN GLU 32 -5.335 -5.240 -11.460 164 HA GLU 32 HA GLU 32 -4.416 -2.581 -11.060 165 HB2 GLU 32 HB2 GLU 32 -6.705 -3.358 -11.920 166 HB3 GLU 32 HB1 GLU 32 -7.119 -3.617 -10.230 167 HG2 GLU 32 HG2 GLU 32 -7.364 -1.431 -9.827 168 HG3 GLU 32 HG1 GLU 32 -5.973 -0.986 -10.810 169 H ALA 33 HN ALA 33 -5.227 -5.224 -8.921 170 HA ALA 33 HA ALA 33 -5.349 -3.699 -6.528 171 HB1 ALA 33 HB3 ALA 33 -4.733 -6.133 -5.604 172 HB2 ALA 33 HB1 ALA 33 -5.258 -6.570 -7.230 173 HB3 ALA 33 HB2 ALA 33 -6.350 -5.696 -6.156 174 H LEU 34 HN LEU 34 -2.762 -5.442 -8.184 175 HA LEU 34 HA LEU 34 -0.809 -5.264 -6.183 176 HG LEU 34 HG LEU 34 1.641 -4.659 -8.127 177 HB2 LEU 34 HB2 LEU 34 -0.581 -6.707 -8.139 178 HB3 LEU 34 HB1 LEU 34 -0.479 -5.302 -9.184 179 HD11 LEU 34 HD11 LEU 34 2.738 -6.435 -6.676 180 HD12 LEU 34 HD12 LEU 34 1.120 -7.103 -6.464 181 HD13 LEU 34 HD13 LEU 34 1.473 -5.461 -5.928 182 HD21 LEU 34 HD23 LEU 34 2.868 -6.032 -9.439 183 HD22 LEU 34 HD21 LEU 34 1.276 -6.537 -10.000 184 HD23 LEU 34 HD22 LEU 34 2.125 -7.495 -8.793 185 H GLN 35 HN GLN 35 -1.383 -3.135 -8.982 186 HA GLN 35 HA GLN 35 0.618 -1.266 -8.386 187 HB2 GLN 35 HB2 GLN 35 -0.664 0.271 -9.854 188 HB3 GLN 35 HB1 GLN 35 -0.416 -1.316 -10.560 189 HG2 GLN 35 HG2 GLN 35 -2.696 -1.948 -9.922 190 HG3 GLN 35 HG1 GLN 35 -2.940 -0.335 -9.254 191 HE21 GLN 35 HE21 GLN 35 -2.438 -2.178 -12.180 192 HE22 GLN 35 HE22 GLN 35 -3.041 -0.981 -13.270 193 H LEU 36 HN LEU 36 -2.643 -1.636 -7.187 194 HA LEU 36 HA LEU 36 -2.807 0.945 -5.973 195 HG LEU 36 HG LEU 36 -4.662 -0.139 -7.722 196 HB2 LEU 36 HB2 LEU 36 -4.384 -1.594 -5.585 197 HB3 LEU 36 HB1 LEU 36 -4.738 -0.108 -4.724 198 HD11 LEU 36 HD11 LEU 36 -7.058 -0.593 -7.743 199 HD12 LEU 36 HD12 LEU 36 -7.030 -0.856 -5.999 200 HD13 LEU 36 HD13 LEU 36 -6.158 -1.953 -7.070 201 HD21 LEU 36 HD23 LEU 36 -4.725 1.993 -6.405 202 HD22 LEU 36 HD21 LEU 36 -6.305 1.495 -5.799 203 HD23 LEU 36 HD22 LEU 36 -6.070 1.771 -7.525 204 H TYR 37 HN TYR 37 -1.940 -2.291 -4.849 205 HA TYR 37 HA TYR 37 -1.739 -1.722 -2.115 206 HD1 TYR 37 HD1 TYR 37 -2.841 -3.187 -1.145 207 HD2 TYR 37 HD2 TYR 37 -1.540 -5.649 -4.361 208 HE1 TYR 37 HE1 TYR 37 -4.865 -4.563 -0.903 209 HE2 TYR 37 HE2 TYR 37 -3.560 -7.032 -4.128 210 HH TYR 37 HH TYR 37 -5.356 -7.259 -1.632 211 HB2 TYR 37 HB2 TYR 37 -0.318 -3.755 -3.837 212 HB3 TYR 37 HB1 TYR 37 -0.150 -3.696 -2.086 213 H GLN 38 HN GLN 38 0.576 -1.349 -4.745 214 HA GLN 38 HA GLN 38 2.798 -0.689 -3.106 215 HB2 GLN 38 HB2 GLN 38 2.229 -0.125 -6.019 216 HB3 GLN 38 HB1 GLN 38 3.768 0.210 -5.237 217 HG2 GLN 38 HG2 GLN 38 3.804 -2.256 -4.615 218 HG3 GLN 38 HG1 GLN 38 2.488 -2.446 -5.773 219 HE21 GLN 38 HE21 GLN 38 3.269 -3.326 -7.546 220 HE22 GLN 38 HE22 GLN 38 4.724 -2.867 -8.355 221 H HIS 39 HN HIS 39 0.351 1.234 -4.784 222 HA HIS 39 HA HIS 39 1.446 3.767 -4.294 223 HD1 HIS 39 HD1 HIS 39 -2.015 5.030 -6.808 224 HD2 HIS 39 HD2 HIS 39 1.837 3.489 -6.571 225 HE1 HIS 39 HE1 HIS 39 -0.906 5.655 -8.977 226 HE2 HIS 39 HE2 HIS 39 1.451 4.787 -8.774 227 HB2 HIS 39 HB2 HIS 39 -1.247 2.717 -4.994 228 HB3 HIS 39 HB1 HIS 39 -1.166 4.357 -4.358 229 H ALA 40 HN ALA 40 -0.832 1.818 -2.402 230 HA ALA 40 HA ALA 40 -1.375 3.693 -0.397 231 HB1 ALA 40 HB3 ALA 40 -2.306 1.240 -0.941 232 HB2 ALA 40 HB1 ALA 40 -2.531 2.033 0.618 233 HB3 ALA 40 HB2 ALA 40 -1.238 0.853 0.408 234 H VAL 41 HN VAL 41 1.113 1.160 -0.550 235 HA VAL 41 HA VAL 41 2.236 1.670 1.985 236 HB VAL 41 HB VAL 41 3.675 0.551 -0.423 237 HG11 VAL 41 HG11 VAL 41 5.322 0.877 1.149 238 HG12 VAL 41 HG12 VAL 41 4.786 -0.754 1.553 239 HG13 VAL 41 HG13 VAL 41 4.227 0.620 2.508 240 HG21 VAL 41 HG23 VAL 41 1.371 -0.472 0.592 241 HG22 VAL 41 HG21 VAL 41 2.580 -1.311 1.565 242 HG23 VAL 41 HG22 VAL 41 2.628 -1.426 -0.194 243 H GLN 42 HN GLN 42 2.767 3.088 -1.175 244 HA GLN 42 HA GLN 42 5.181 4.431 -0.604 245 HB2 GLN 42 HB2 GLN 42 3.052 4.662 -2.671 246 HB3 GLN 42 HB1 GLN 42 4.150 6.022 -2.480 247 HG2 GLN 42 HG2 GLN 42 6.051 4.596 -2.905 248 HG3 GLN 42 HG1 GLN 42 5.002 3.182 -2.990 249 HE21 GLN 42 HE21 GLN 42 6.498 3.417 -5.080 250 HE22 GLN 42 HE22 GLN 42 5.664 4.073 -6.443 251 H TYR 43 HN TYR 43 1.803 5.548 -0.513 252 HA TYR 43 HA TYR 43 2.469 8.127 0.503 253 HD1 TYR 43 HD1 TYR 43 1.335 9.691 -1.074 254 HD2 TYR 43 HD2 TYR 43 -0.806 6.056 -1.620 255 HE1 TYR 43 HE1 TYR 43 1.105 10.194 -3.470 256 HE2 TYR 43 HE2 TYR 43 -1.041 6.548 -4.018 257 HH TYR 43 HH TYR 43 0.693 8.428 -5.689 258 HB2 TYR 43 HB2 TYR 43 -0.180 6.664 0.514 259 HB3 TYR 43 HB1 TYR 43 0.043 8.378 0.850 260 H PHE 44 HN PHE 44 1.511 5.068 1.945 261 HA PHE 44 HA PHE 44 0.984 5.978 4.545 262 HD1 PHE 44 HD2 PHE 44 -0.419 5.127 5.827 263 HD2 PHE 44 HD1 PHE 44 -0.169 2.139 2.807 264 HE1 PHE 44 HE2 PHE 44 -2.841 4.736 6.018 265 HE2 PHE 44 HE1 PHE 44 -2.591 1.743 2.992 266 HZ PHE 44 HZ PHE 44 -3.930 3.042 4.600 267 HB2 PHE 44 HB2 PHE 44 1.706 3.351 3.331 268 HB3 PHE 44 HB1 PHE 44 1.818 3.512 5.080 269 H LEU 45 HN LEU 45 3.959 4.491 3.254 270 HA LEU 45 HA LEU 45 5.517 4.873 5.550 271 HG LEU 45 HG LEU 45 5.227 2.654 3.427 272 HB2 LEU 45 HB2 LEU 45 6.366 4.704 2.658 273 HB3 LEU 45 HB1 LEU 45 7.459 4.597 4.025 274 HD11 LEU 45 HD11 LEU 45 6.796 2.162 1.815 275 HD12 LEU 45 HD12 LEU 45 7.325 1.139 3.150 276 HD13 LEU 45 HD13 LEU 45 8.150 2.663 2.826 277 HD21 LEU 45 HD23 LEU 45 5.471 2.521 5.717 278 HD22 LEU 45 HD21 LEU 45 7.187 2.923 5.664 279 HD23 LEU 45 HD22 LEU 45 6.640 1.323 5.163 280 H HIS 46 HN HIS 46 4.734 7.009 2.899 281 HA HIS 46 HA HIS 46 6.732 8.940 3.257 282 HD1 HIS 46 HD1 HIS 46 6.976 10.466 0.512 283 HD2 HIS 46 HD2 HIS 46 4.060 12.165 2.937 284 HE1 HIS 46 HE1 HIS 46 7.282 12.953 0.291 285 HE2 HIS 46 HE2 HIS 46 5.452 13.960 1.699 286 HB2 HIS 46 HB2 HIS 46 5.176 8.805 1.305 287 HB3 HIS 46 HB1 HIS 46 3.892 9.426 2.337 288 H VAL 47 HN VAL 47 3.617 8.490 4.837 289 HA VAL 47 HA VAL 47 3.750 10.956 6.298 290 HB VAL 47 HB VAL 47 2.011 8.565 6.906 291 HG11 VAL 47 HG11 VAL 47 0.867 9.871 8.345 292 HG12 VAL 47 HG12 VAL 47 1.075 11.321 7.362 293 HG13 VAL 47 HG13 VAL 47 2.383 10.770 8.409 294 HG21 VAL 47 HG23 VAL 47 1.878 10.563 4.738 295 HG22 VAL 47 HG21 VAL 47 0.368 10.239 5.590 296 HG23 VAL 47 HG22 VAL 47 1.241 8.920 4.810 297 H VAL 48 HN VAL 48 4.430 7.558 6.988 298 HA VAL 48 HA VAL 48 4.937 7.897 9.756 299 HB VAL 48 HB VAL 48 6.087 5.749 7.975 300 HG11 VAL 48 HG11 VAL 48 5.563 4.557 10.325 301 HG12 VAL 48 HG12 VAL 48 5.910 6.192 10.887 302 HG13 VAL 48 HG13 VAL 48 7.110 5.312 9.942 303 HG21 VAL 48 HG23 VAL 48 3.331 6.219 8.920 304 HG22 VAL 48 HG21 VAL 48 3.944 4.575 9.099 305 HG23 VAL 48 HG22 VAL 48 3.914 5.337 7.508 306 H LYS 49 HN LYS 49 6.996 7.970 6.888 307 HA LYS 49 HA LYS 49 9.447 8.177 8.327 308 HB2 LYS 49 HB2 LYS 49 9.358 7.345 6.020 309 HB3 LYS 49 HB1 LYS 49 8.801 8.918 5.467 310 HG2 LYS 49 HG2 LYS 49 11.072 9.633 6.729 311 HG3 LYS 49 HG1 LYS 49 11.503 8.010 6.185 312 HD2 LYS 49 HD2 LYS 49 11.560 8.618 4.017 313 HD3 LYS 49 HD1 LYS 49 10.145 9.663 4.172 314 HE2 LYS 49 HE2 LYS 49 12.993 10.302 4.920 315 HE3 LYS 49 HE1 LYS 49 12.030 11.036 3.638 316 HZ1 LYS 49 HZ3 LYS 49 11.911 11.470 6.533 317 HZ2 LYS 49 HZ1 LYS 49 10.479 11.622 5.645 318 HZ3 LYS 49 HZ2 LYS 49 11.814 12.591 5.270 319 H TYR 50 HN TYR 50 7.557 10.567 6.472 320 HA TYR 50 HA TYR 50 9.114 12.794 7.148 321 HD1 TYR 50 HD2 TYR 50 8.147 11.160 4.648 322 HD2 TYR 50 HD1 TYR 50 7.525 15.360 4.909 323 HE1 TYR 50 HE2 TYR 50 9.131 11.438 2.411 324 HE2 TYR 50 HE1 TYR 50 8.506 15.651 2.673 325 HH TYR 50 HH TYR 50 8.918 14.367 0.661 326 HB2 TYR 50 HB2 TYR 50 6.285 12.445 6.211 327 HB3 TYR 50 HB1 TYR 50 6.870 14.040 6.673 328 H GLU 51 HN GLU 51 5.799 12.298 8.339 329 HA GLU 51 HA GLU 51 6.542 12.527 11.086 330 HB2 GLU 51 HB2 GLU 51 5.234 14.683 11.432 331 HB3 GLU 51 HB1 GLU 51 6.824 14.839 10.697 332 HG2 GLU 51 HG2 GLU 51 5.766 14.980 8.484 333 HG3 GLU 51 HG1 GLU 51 4.183 14.888 9.255 334 H ALA 52 HN ALA 52 5.278 10.687 11.311 335 HA ALA 52 HA ALA 52 2.671 10.352 10.350 336 HB1 ALA 52 HB3 ALA 52 2.624 8.781 12.520 337 HB2 ALA 52 HB1 ALA 52 4.363 9.039 12.384 338 HB3 ALA 52 HB2 ALA 52 3.466 8.347 11.033 339 H GLN 53 HN GLN 53 0.918 9.786 12.237 340 HA GLN 53 HA GLN 53 0.253 12.387 13.321 341 HB2 GLN 53 HB2 GLN 53 -1.312 9.812 13.539 342 HB3 GLN 53 HB1 GLN 53 -1.914 11.443 13.802 343 HG2 GLN 53 HG2 GLN 53 -0.868 10.443 11.166 344 HG3 GLN 53 HG1 GLN 53 -2.569 10.424 11.629 345 HE21 GLN 53 HE21 GLN 53 -0.746 11.938 9.632 346 HE22 GLN 53 HE22 GLN 53 -1.291 13.571 9.779 347 H GLY 54 HN GLY 54 0.844 9.111 14.561 348 HA2 GLY 54 HA2 GLY 54 1.974 10.126 16.982 349 HA3 GLY 54 HA1 GLY 54 0.356 9.492 17.245 350 H ASP 55 HN ASP 55 2.041 8.209 18.683 351 HA ASP 55 HA ASP 55 3.603 6.189 17.534 352 HB2 ASP 55 HB2 ASP 55 2.415 6.681 20.218 353 HB3 ASP 55 HB1 ASP 55 2.977 5.049 19.870 354 H LYS 56 HN LYS 56 0.296 6.008 18.852 355 HA LYS 56 HA LYS 56 -0.174 3.330 18.183 356 HB2 LYS 56 HB2 LYS 56 -1.542 5.085 19.623 357 HB3 LYS 56 HB1 LYS 56 -2.424 5.289 18.116 358 HG2 LYS 56 HG2 LYS 56 -2.993 2.944 18.082 359 HG3 LYS 56 HG1 LYS 56 -2.017 2.660 19.525 360 HD2 LYS 56 HD2 LYS 56 -3.577 4.544 20.522 361 HD3 LYS 56 HD1 LYS 56 -4.665 3.991 19.248 362 HE2 LYS 56 HE2 LYS 56 -3.401 1.869 20.851 363 HE3 LYS 56 HE1 LYS 56 -4.536 2.901 21.720 364 HZ1 LYS 56 HZ3 LYS 56 -5.132 1.442 19.201 365 HZ2 LYS 56 HZ1 LYS 56 -6.221 2.392 20.082 366 HZ3 LYS 56 HZ2 LYS 56 -5.619 0.959 20.748 367 H ALA 57 HN ALA 57 -0.439 6.271 16.307 368 HA ALA 57 HA ALA 57 -1.916 5.158 14.146 369 HB1 ALA 57 HB3 ALA 57 -1.841 7.227 13.249 370 HB2 ALA 57 HB1 ALA 57 -0.119 7.423 13.574 371 HB3 ALA 57 HB2 ALA 57 -1.294 7.677 14.865 372 H LYS 58 HN LYS 58 1.540 5.690 14.726 373 HA LYS 58 HA LYS 58 2.478 4.872 12.218 374 HB2 LYS 58 HB2 LYS 58 3.786 4.722 14.938 375 HB3 LYS 58 HB1 LYS 58 4.627 4.414 13.425 376 HG2 LYS 58 HG2 LYS 58 4.493 6.634 12.753 377 HG3 LYS 58 HG1 LYS 58 3.183 6.995 13.878 378 HD2 LYS 58 HD2 LYS 58 4.601 7.165 15.685 379 HD3 LYS 58 HD1 LYS 58 5.826 6.125 14.954 380 HE2 LYS 58 HE2 LYS 58 5.934 8.115 13.208 381 HE3 LYS 58 HE1 LYS 58 5.322 9.031 14.584 382 HZ1 LYS 58 HZ3 LYS 58 7.706 7.288 14.783 383 HZ2 LYS 58 HZ1 LYS 58 7.208 8.504 15.849 384 HZ3 LYS 58 HZ2 LYS 58 7.814 8.912 14.324 385 H GLN 59 HN GLN 59 2.026 3.008 15.212 386 HA GLN 59 HA GLN 59 2.937 0.547 14.237 387 HB2 GLN 59 HB2 GLN 59 1.659 -0.450 16.102 388 HB3 GLN 59 HB1 GLN 59 2.623 0.930 16.611 389 HG2 GLN 59 HG2 GLN 59 0.685 2.336 16.676 390 HG3 GLN 59 HG1 GLN 59 -0.314 1.062 15.978 391 HE21 GLN 59 HE21 GLN 59 -0.712 -0.828 17.247 392 HE22 GLN 59 HE22 GLN 59 -0.677 -0.741 18.972 393 H SER 60 HN SER 60 -0.166 2.144 13.967 394 HA SER 60 HA SER 60 -1.670 -0.082 13.095 395 HG SER 60 HG SER 60 -3.748 0.609 12.191 396 HB2 SER 60 HB2 SER 60 -2.315 2.446 13.794 397 HB3 SER 60 HB1 SER 60 -2.403 2.590 12.039 398 H ILE 61 HN ILE 61 0.022 2.480 11.305 399 HA ILE 61 HA ILE 61 -0.636 1.439 8.737 400 HB ILE 61 HB ILE 61 1.666 3.270 9.414 401 HG12 ILE 61 HG12 ILE 61 -1.209 3.965 8.768 402 HG13 ILE 61 HG11 ILE 61 -0.429 4.161 10.335 403 HG21 ILE 61 HG21 ILE 61 1.910 2.518 7.203 404 HG22 ILE 61 HG22 ILE 61 1.137 4.097 7.065 405 HG23 ILE 61 HG23 ILE 61 0.179 2.627 6.885 406 HD11 ILE 61 HD13 ILE 61 -0.685 6.135 8.557 407 HD12 ILE 61 HD11 ILE 61 0.878 5.492 8.054 408 HD13 ILE 61 HD12 ILE 61 0.642 6.041 9.714 409 H ARG 62 HN ARG 62 2.040 0.997 10.963 410 HA ARG 62 HA ARG 62 3.873 -0.212 9.228 411 HE ARG 62 HE ARG 62 6.472 2.695 11.912 412 HB2 ARG 62 HB2 ARG 62 3.432 -0.221 12.175 413 HB3 ARG 62 HB1 ARG 62 4.515 -1.432 11.503 414 HG2 ARG 62 HG2 ARG 62 6.037 0.156 10.760 415 HG3 ARG 62 HG1 ARG 62 4.850 1.461 10.821 416 HD2 ARG 62 HD2 ARG 62 4.821 0.907 13.378 417 HD3 ARG 62 HD1 ARG 62 6.395 0.190 13.037 418 HH11 ARG 62 HH11 ARG 62 5.944 1.398 15.109 419 HH12 ARG 62 HH12 ARG 62 6.602 2.782 15.914 420 HH21 ARG 62 HH21 ARG 62 7.338 4.516 12.970 421 HH22 ARG 62 HH22 ARG 62 7.393 4.553 14.701 422 H ALA 63 HN ALA 63 1.227 -1.586 11.128 423 HA ALA 63 HA ALA 63 1.799 -4.294 10.461 424 HB1 ALA 63 HB3 ALA 63 0.532 -4.236 12.349 425 HB2 ALA 63 HB1 ALA 63 -0.756 -4.459 11.165 426 HB3 ALA 63 HB2 ALA 63 -0.415 -2.851 11.805 427 H LYS 64 HN LYS 64 -0.246 -1.792 9.071 428 HA LYS 64 HA LYS 64 -1.527 -3.549 7.202 429 HB2 LYS 64 HB2 LYS 64 -1.360 -0.533 7.311 430 HB3 LYS 64 HB1 LYS 64 -2.360 -1.434 6.180 431 HG2 LYS 64 HG2 LYS 64 -3.211 -2.510 8.485 432 HG3 LYS 64 HG1 LYS 64 -2.750 -0.903 9.051 433 HD2 LYS 64 HD2 LYS 64 -4.390 -1.158 6.572 434 HD3 LYS 64 HD1 LYS 64 -5.168 -1.361 8.142 435 HE2 LYS 64 HE2 LYS 64 -3.738 0.883 8.592 436 HE3 LYS 64 HE1 LYS 64 -4.061 1.056 6.868 437 HZ1 LYS 64 HZ3 LYS 64 -6.204 0.459 8.821 438 HZ2 LYS 64 HZ1 LYS 64 -6.362 1.026 7.234 439 HZ3 LYS 64 HZ2 LYS 64 -5.750 2.043 8.439 440 H CYS 65 HN CYS 65 1.222 -1.352 7.136 441 HA CYS 65 HA CYS 65 1.664 -1.405 4.350 442 HG CYS 65 HG CYS 65 3.413 1.616 5.493 443 HB2 CYS 65 HB2 CYS 65 3.242 -0.627 6.747 444 HB3 CYS 65 HB1 CYS 65 4.136 -0.930 5.261 445 H THR 66 HN THR 66 2.554 -3.574 6.937 446 HA THR 66 HA THR 66 4.427 -5.071 5.338 447 HB THR 66 HB THR 66 4.716 -4.905 7.766 448 HG1 THR 66 HG1 THR 66 5.653 -6.729 7.276 449 HG21 THR 66 HG23 THR 66 2.576 -4.828 8.697 450 HG22 THR 66 HG21 THR 66 3.232 -6.389 9.192 451 HG23 THR 66 HG22 THR 66 2.068 -6.301 7.870 452 H GLU 67 HN GLU 67 1.043 -5.262 6.184 453 HA GLU 67 HA GLU 67 0.634 -7.944 5.327 454 HB2 GLU 67 HB2 GLU 67 -0.902 -6.813 6.872 455 HB3 GLU 67 HB1 GLU 67 -1.345 -5.675 5.606 456 HG2 GLU 67 HG2 GLU 67 -2.580 -7.229 4.449 457 HG3 GLU 67 HG1 GLU 67 -1.700 -8.595 5.135 458 H TYR 68 HN TYR 68 0.051 -4.788 3.797 459 HA TYR 68 HA TYR 68 -0.901 -5.879 1.352 460 HD1 TYR 68 HD1 TYR 68 -2.837 -5.161 1.868 461 HD2 TYR 68 HD2 TYR 68 -0.953 -1.501 2.943 462 HE1 TYR 68 HE1 TYR 68 -4.839 -4.510 3.139 463 HE2 TYR 68 HE2 TYR 68 -2.949 -0.840 4.217 464 HH TYR 68 HH TYR 68 -5.079 -2.625 5.357 465 HB2 TYR 68 HB2 TYR 68 0.289 -3.142 1.843 466 HB3 TYR 68 HB1 TYR 68 -0.727 -3.614 0.485 467 H LEU 69 HN LEU 69 2.258 -4.775 2.475 468 HA LEU 69 HA LEU 69 3.617 -4.890 0.028 469 HG LEU 69 HG LEU 69 4.082 -2.826 1.740 470 HB2 LEU 69 HB2 LEU 69 4.441 -5.044 2.895 471 HB3 LEU 69 HB1 LEU 69 5.622 -5.417 1.653 472 HD11 LEU 69 HD11 LEU 69 5.789 -1.811 2.922 473 HD12 LEU 69 HD12 LEU 69 6.940 -3.101 2.573 474 HD13 LEU 69 HD13 LEU 69 5.641 -3.368 3.736 475 HD21 LEU 69 HD23 LEU 69 5.244 -3.803 -0.391 476 HD22 LEU 69 HD21 LEU 69 6.716 -3.252 0.408 477 HD23 LEU 69 HD22 LEU 69 5.435 -2.101 0.029 478 H ASP 70 HN ASP 70 3.089 -7.364 2.507 479 HA ASP 70 HA ASP 70 4.685 -9.375 1.388 480 HB2 ASP 70 HB2 ASP 70 3.415 -9.233 3.687 481 HB3 ASP 70 HB1 ASP 70 2.135 -10.050 2.802 482 H ARG 71 HN ARG 71 1.222 -8.695 0.966 483 HA ARG 71 HA ARG 71 0.774 -10.820 -0.860 484 HE ARG 71 HE ARG 71 -3.733 -10.400 -1.887 485 HB2 ARG 71 HB2 ARG 71 -0.752 -8.438 0.062 486 HB3 ARG 71 HB1 ARG 71 -1.260 -9.200 -1.440 487 HG2 ARG 71 HG2 ARG 71 -0.804 -11.010 0.841 488 HG3 ARG 71 HG1 ARG 71 -2.178 -9.912 0.974 489 HD2 ARG 71 HD2 ARG 71 -1.758 -11.480 -1.534 490 HD3 ARG 71 HD1 ARG 71 -2.482 -12.250 -0.125 491 HH11 ARG 71 HH11 ARG 71 -3.639 -11.450 1.441 492 HH12 ARG 71 HH12 ARG 71 -5.262 -10.950 1.775 493 HH21 ARG 71 HH21 ARG 71 -5.869 -9.745 -1.449 494 HH22 ARG 71 HH22 ARG 71 -6.528 -9.982 0.135 495 H ALA 72 HN ALA 72 1.245 -7.326 -1.309 496 HA ALA 72 HA ALA 72 1.054 -7.323 -4.110 497 HB1 ALA 72 HB3 ALA 72 2.113 -5.135 -4.013 498 HB2 ALA 72 HB1 ALA 72 2.614 -5.435 -2.349 499 HB3 ALA 72 HB2 ALA 72 0.901 -5.294 -2.742 500 H GLU 73 HN GLU 73 3.821 -7.743 -1.950 501 HA GLU 73 HA GLU 73 5.846 -7.686 -3.884 502 HB2 GLU 73 HB2 GLU 73 5.615 -8.931 -1.163 503 HB3 GLU 73 HB1 GLU 73 7.042 -9.216 -2.150 504 HG2 GLU 73 HG2 GLU 73 6.267 -6.403 -1.930 505 HG3 GLU 73 HG1 GLU 73 6.729 -7.159 -0.406 506 H LYS 74 HN LYS 74 3.958 -10.400 -2.597 507 HA LYS 74 HA LYS 74 5.273 -12.360 -4.192 508 HB2 LYS 74 HB2 LYS 74 2.817 -12.320 -2.478 509 HB3 LYS 74 HB1 LYS 74 3.107 -13.690 -3.548 510 HG2 LYS 74 HG2 LYS 74 5.244 -12.770 -1.673 511 HG3 LYS 74 HG1 LYS 74 3.921 -13.790 -1.096 512 HD2 LYS 74 HD2 LYS 74 4.551 -15.240 -3.193 513 HD3 LYS 74 HD1 LYS 74 6.105 -14.420 -3.028 514 HE2 LYS 74 HE2 LYS 74 4.812 -15.700 -0.655 515 HE3 LYS 74 HE1 LYS 74 5.714 -16.680 -1.812 516 HZ1 LYS 74 HZ3 LYS 74 7.489 -14.800 -1.415 517 HZ2 LYS 74 HZ1 LYS 74 7.370 -16.130 -0.378 518 HZ3 LYS 74 HZ2 LYS 74 6.680 -14.650 0.063 519 H LEU 75 HN LEU 75 2.341 -10.440 -4.533 520 HA LEU 75 HA LEU 75 1.206 -11.760 -6.718 521 HG LEU 75 HG LEU 75 -0.892 -11.120 -6.928 522 HB2 LEU 75 HB2 LEU 75 0.810 -9.307 -5.298 523 HB3 LEU 75 HB1 LEU 75 0.700 -9.003 -7.021 524 HD11 LEU 75 HD11 LEU 75 -1.234 -9.900 -4.197 525 HD12 LEU 75 HD12 LEU 75 -0.518 -11.480 -4.516 526 HD13 LEU 75 HD13 LEU 75 -2.212 -11.180 -4.908 527 HD21 LEU 75 HD23 LEU 75 -2.792 -9.491 -6.535 528 HD22 LEU 75 HD21 LEU 75 -1.664 -9.099 -7.833 529 HD23 LEU 75 HD22 LEU 75 -1.547 -8.269 -6.281 530 H LYS 76 HN LYS 76 3.373 -8.942 -6.681 531 HA LYS 76 HA LYS 76 3.609 -8.752 -9.490 532 HB2 LYS 76 HB2 LYS 76 5.530 -7.286 -9.028 533 HB3 LYS 76 HB1 LYS 76 4.140 -6.873 -8.034 534 HG2 LYS 76 HG2 LYS 76 5.211 -8.288 -6.216 535 HG3 LYS 76 HG1 LYS 76 6.667 -8.266 -7.214 536 HD2 LYS 76 HD2 LYS 76 6.327 -5.699 -7.226 537 HD3 LYS 76 HD1 LYS 76 5.285 -5.995 -5.833 538 HE2 LYS 76 HE2 LYS 76 7.211 -5.758 -4.683 539 HE3 LYS 76 HE1 LYS 76 7.438 -7.449 -5.129 540 HZ1 LYS 76 HZ3 LYS 76 9.350 -5.861 -5.562 541 HZ2 LYS 76 HZ1 LYS 76 8.424 -5.249 -6.840 542 HZ3 LYS 76 HZ2 LYS 76 8.896 -6.873 -6.839 543 H GLU 77 HN GLU 77 5.218 -10.690 -7.099 544 HA GLU 77 HA GLU 77 7.572 -11.350 -8.415 545 HB2 GLU 77 HB2 GLU 77 6.534 -12.040 -6.050 546 HB3 GLU 77 HB1 GLU 77 6.150 -13.510 -6.934 547 HG2 GLU 77 HG2 GLU 77 8.901 -12.550 -7.269 548 HG3 GLU 77 HG1 GLU 77 8.476 -13.050 -5.633 549 H TYR 78 HN TYR 78 4.480 -13.140 -8.478 550 HA TYR 78 HA TYR 78 5.384 -14.890 -10.550 551 HD1 TYR 78 HD1 TYR 78 1.757 -14.670 -11.890 552 HD2 TYR 78 HD2 TYR 78 2.051 -13.900 -7.719 553 HE1 TYR 78 HE1 TYR 78 -0.420 -13.530 -11.950 554 HE2 TYR 78 HE2 TYR 78 -0.127 -12.760 -7.771 555 HH TYR 78 HH TYR 78 -1.659 -11.850 -10.650 556 HB2 TYR 78 HB2 TYR 78 3.312 -15.970 -10.360 557 HB3 TYR 78 HB1 TYR 78 3.598 -15.350 -8.745 558 H LEU 79 HN LEU 79 3.434 -11.970 -10.410 559 HA LEU 79 HA LEU 79 2.416 -12.010 -13.020 560 HG LEU 79 HG LEU 79 0.894 -11.240 -10.900 561 HB2 LEU 79 HB2 LEU 79 3.009 -9.837 -11.050 562 HB3 LEU 79 HB1 LEU 79 2.506 -9.423 -12.680 563 HD11 LEU 79 HD11 LEU 79 -0.127 -9.517 -9.886 564 HD12 LEU 79 HD12 LEU 79 -0.003 -8.470 -11.300 565 HD13 LEU 79 HD13 LEU 79 1.385 -8.679 -10.230 566 HD21 LEU 79 HD23 LEU 79 0.032 -9.567 -13.250 567 HD22 LEU 79 HD21 LEU 79 -0.872 -10.840 -12.430 568 HD23 LEU 79 HD22 LEU 79 0.550 -11.240 -13.390 569 H LYS 80 HN LYS 80 5.527 -10.980 -11.760 570 HA LYS 80 HA LYS 80 6.367 -9.909 -14.320 571 HB2 LYS 80 HB2 LYS 80 7.459 -9.981 -11.560 572 HB3 LYS 80 HB1 LYS 80 8.637 -9.938 -12.870 573 HG2 LYS 80 HG2 LYS 80 7.027 -7.977 -13.690 574 HG3 LYS 80 HG1 LYS 80 6.733 -7.873 -11.960 575 HD2 LYS 80 HD2 LYS 80 8.557 -6.546 -11.990 576 HD3 LYS 80 HD1 LYS 80 9.428 -8.081 -11.990 577 HE2 LYS 80 HE2 LYS 80 10.432 -7.018 -13.760 578 HE3 LYS 80 HE1 LYS 80 9.142 -7.888 -14.590 579 HZ1 LYS 80 HZ3 LYS 80 9.584 -5.310 -14.940 580 HZ2 LYS 80 HZ1 LYS 80 8.511 -5.209 -13.630 581 HZ3 LYS 80 HZ2 LYS 80 8.040 -5.989 -15.060 582 H ASN 81 HN ASN 81 6.771 -12.810 -12.420 583 HA ASN 81 HA ASN 81 8.929 -13.880 -13.940 584 HB2 ASN 81 HB2 ASN 81 7.085 -14.900 -11.830 585 HB3 ASN 81 HB1 ASN 81 7.940 -16.080 -12.820 586 HD21 ASN 81 HD21 ASN 81 10.035 -16.480 -12.430 587 HD22 ASN 81 HD22 ASN 81 10.980 -15.680 -11.230 Start of MODEL 10 1 H ASN 10 HN ASN 10 -2.505 12.765 5.521 2 HA ASN 10 HA ASN 10 -2.205 11.158 3.152 3 HB2 ASN 10 HB2 ASN 10 -0.462 11.475 5.603 4 HB3 ASN 10 HB1 ASN 10 -0.021 10.518 4.192 5 HD21 ASN 10 HD21 ASN 10 0.359 11.582 2.214 6 HD22 ASN 10 HD22 ASN 10 0.775 13.258 2.168 7 H LEU 11 HN LEU 11 -3.042 10.640 6.505 8 HA LEU 11 HA LEU 11 -2.718 7.807 6.476 9 HG LEU 11 HG LEU 11 -4.474 6.828 8.358 10 HB2 LEU 11 HB2 LEU 11 -2.723 9.242 8.527 11 HB3 LEU 11 HB1 LEU 11 -4.448 9.464 8.310 12 HD11 LEU 11 HD11 LEU 11 -2.122 7.349 10.146 13 HD12 LEU 11 HD12 LEU 11 -1.924 6.839 8.470 14 HD13 LEU 11 HD13 LEU 11 -2.784 5.805 9.610 15 HD21 LEU 11 HD23 LEU 11 -5.749 7.814 9.981 16 HD22 LEU 11 HD21 LEU 11 -4.425 8.823 10.564 17 HD23 LEU 11 HD22 LEU 11 -4.476 7.109 10.977 18 H GLN 12 HN GLN 12 -5.504 9.974 6.113 19 HA GLN 12 HA GLN 12 -7.484 8.003 5.919 20 HB2 GLN 12 HB2 GLN 12 -7.714 10.567 6.148 21 HB3 GLN 12 HB1 GLN 12 -7.604 10.591 4.394 22 HG2 GLN 12 HG2 GLN 12 -9.554 9.119 4.258 23 HG3 GLN 12 HG1 GLN 12 -9.671 9.125 6.017 24 HE21 GLN 12 HE21 GLN 12 -11.680 9.958 4.197 25 HE22 GLN 12 HE22 GLN 12 -11.980 11.637 4.479 26 H LYS 13 HN LYS 13 -5.227 9.259 3.566 27 HA LYS 13 HA LYS 13 -6.537 8.076 1.302 28 HB2 LYS 13 HB2 LYS 13 -5.141 10.081 1.064 29 HB3 LYS 13 HB1 LYS 13 -3.733 9.170 1.591 30 HG2 LYS 13 HG2 LYS 13 -3.495 9.193 -0.702 31 HG3 LYS 13 HG1 LYS 13 -4.267 7.632 -0.414 32 HD2 LYS 13 HD2 LYS 13 -5.691 8.319 -2.019 33 HD3 LYS 13 HD1 LYS 13 -6.438 9.225 -0.701 34 HE2 LYS 13 HE2 LYS 13 -4.182 10.456 -2.212 35 HE3 LYS 13 HE1 LYS 13 -5.781 10.407 -2.954 36 HZ1 LYS 13 HZ3 LYS 13 -6.620 11.468 -0.864 37 HZ2 LYS 13 HZ1 LYS 13 -5.612 12.447 -1.807 38 HZ3 LYS 13 HZ2 LYS 13 -5.009 11.713 -0.408 39 H ALA 14 HN ALA 14 -4.035 7.143 3.555 40 HA ALA 14 HA ALA 14 -3.013 4.954 2.063 41 HB1 ALA 14 HB3 ALA 14 -2.935 5.101 5.055 42 HB2 ALA 14 HB1 ALA 14 -1.958 6.182 4.062 43 HB3 ALA 14 HB2 ALA 14 -1.739 4.436 3.943 44 H ILE 15 HN ILE 15 -5.597 5.303 4.427 45 HA ILE 15 HA ILE 15 -6.090 2.482 4.637 46 HB ILE 15 HB ILE 15 -7.953 4.718 5.428 47 HG12 ILE 15 HG12 ILE 15 -5.944 3.364 7.226 48 HG13 ILE 15 HG11 ILE 15 -5.584 4.865 6.378 49 HG21 ILE 15 HG21 ILE 15 -8.989 3.150 6.854 50 HG22 ILE 15 HG22 ILE 15 -7.690 1.978 6.634 51 HG23 ILE 15 HG23 ILE 15 -8.792 2.334 5.303 52 HD11 ILE 15 HD13 ILE 15 -7.797 4.447 8.373 53 HD12 ILE 15 HD11 ILE 15 -7.451 5.950 7.518 54 HD13 ILE 15 HD12 ILE 15 -6.276 5.294 8.658 55 H ASP 16 HN ASP 16 -7.495 5.185 2.857 56 HA ASP 16 HA ASP 16 -9.741 3.834 1.834 57 HB2 ASP 16 HB2 ASP 16 -8.971 6.393 1.777 58 HB3 ASP 16 HB1 ASP 16 -8.431 5.924 0.168 59 H LEU 17 HN LEU 17 -6.484 4.307 0.507 60 HA LEU 17 HA LEU 17 -7.010 2.869 -1.899 61 HG LEU 17 HG LEU 17 -6.118 5.252 -2.142 62 HB2 LEU 17 HB2 LEU 17 -4.519 3.845 -0.541 63 HB3 LEU 17 HB1 LEU 17 -4.422 2.815 -1.956 64 HD11 LEU 17 HD11 LEU 17 -3.723 5.656 -1.051 65 HD12 LEU 17 HD12 LEU 17 -4.438 6.772 -2.214 66 HD13 LEU 17 HD13 LEU 17 -3.240 5.592 -2.746 67 HD21 LEU 17 HD23 LEU 17 -5.759 3.459 -3.936 68 HD22 LEU 17 HD21 LEU 17 -4.149 4.156 -4.123 69 HD23 LEU 17 HD22 LEU 17 -5.578 5.147 -4.414 70 H ALA 18 HN ALA 18 -5.778 2.023 1.270 71 HA ALA 18 HA ALA 18 -4.764 -0.532 0.613 72 HB1 ALA 18 HB3 ALA 18 -4.201 0.703 2.681 73 HB2 ALA 18 HB1 ALA 18 -4.731 -0.951 2.987 74 HB3 ALA 18 HB2 ALA 18 -5.832 0.396 3.275 75 H SER 19 HN SER 19 -7.899 0.510 1.928 76 HA SER 19 HA SER 19 -9.038 -2.041 2.164 77 HG SER 19 HG SER 19 -11.140 -1.488 3.519 78 HB2 SER 19 HB2 SER 19 -9.882 0.235 3.066 79 HB3 SER 19 HB1 SER 19 -10.650 0.404 1.491 80 H LYS 20 HN LYS 20 -9.079 0.286 -0.507 81 HA LYS 20 HA LYS 20 -10.790 -1.169 -2.200 82 HB2 LYS 20 HB2 LYS 20 -10.020 1.270 -2.403 83 HB3 LYS 20 HB1 LYS 20 -8.580 0.629 -3.168 84 HG2 LYS 20 HG2 LYS 20 -10.150 -0.547 -4.786 85 HG3 LYS 20 HG1 LYS 20 -11.410 0.512 -4.139 86 HD2 LYS 20 HD2 LYS 20 -8.810 1.578 -5.199 87 HD3 LYS 20 HD1 LYS 20 -10.200 1.291 -6.245 88 HE2 LYS 20 HE2 LYS 20 -10.660 3.442 -5.717 89 HE3 LYS 20 HE1 LYS 20 -11.390 2.691 -4.301 90 HZ1 LYS 20 HZ3 LYS 20 -9.352 3.081 -3.077 91 HZ2 LYS 20 HZ1 LYS 20 -9.969 4.535 -3.683 92 HZ3 LYS 20 HZ2 LYS 20 -8.645 3.799 -4.436 93 H ALA 21 HN ALA 21 -7.306 -1.254 -1.722 94 HA ALA 21 HA ALA 21 -6.677 -2.892 -3.933 95 HB1 ALA 21 HB3 ALA 21 -4.533 -3.139 -2.969 96 HB2 ALA 21 HB1 ALA 21 -5.143 -2.811 -1.347 97 HB3 ALA 21 HB2 ALA 21 -5.075 -1.516 -2.543 98 H ALA 22 HN ALA 22 -7.298 -3.667 -0.519 99 HA ALA 22 HA ALA 22 -6.890 -6.430 -0.692 100 HB1 ALA 22 HB3 ALA 22 -7.904 -6.592 1.422 101 HB2 ALA 22 HB1 ALA 22 -8.891 -5.156 1.151 102 HB3 ALA 22 HB2 ALA 22 -7.151 -4.998 1.394 103 H GLN 23 HN GLN 23 -9.647 -4.447 -1.519 104 HA GLN 23 HA GLN 23 -11.420 -6.705 -1.836 105 HB2 GLN 23 HB2 GLN 23 -11.650 -3.745 -2.225 106 HB3 GLN 23 HB1 GLN 23 -12.850 -4.810 -2.949 107 HG2 GLN 23 HG2 GLN 23 -13.040 -5.810 -0.570 108 HG3 GLN 23 HG1 GLN 23 -12.270 -4.309 -0.065 109 HE21 GLN 23 HE21 GLN 23 -13.730 -2.972 0.707 110 HE22 GLN 23 HE22 GLN 23 -15.290 -2.672 0.042 111 H GLU 24 HN GLU 24 -9.380 -4.703 -3.842 112 HA GLU 24 HA GLU 24 -10.460 -5.495 -6.345 113 HB2 GLU 24 HB2 GLU 24 -7.946 -4.153 -5.452 114 HB3 GLU 24 HB1 GLU 24 -8.053 -4.754 -7.101 115 HG2 GLU 24 HG2 GLU 24 -10.130 -2.938 -5.928 116 HG3 GLU 24 HG1 GLU 24 -8.668 -2.325 -6.697 117 H ASP 25 HN ASP 25 -7.743 -6.651 -4.394 118 HA ASP 25 HA ASP 25 -6.880 -8.600 -6.274 119 HB2 ASP 25 HB2 ASP 25 -5.695 -7.535 -4.146 120 HB3 ASP 25 HB1 ASP 25 -6.357 -8.966 -3.361 121 H LYS 26 HN LYS 26 -8.884 -8.761 -3.349 122 HA LYS 26 HA LYS 26 -9.303 -11.530 -3.344 123 HB2 LYS 26 HB2 LYS 26 -9.954 -9.575 -1.643 124 HB3 LYS 26 HB1 LYS 26 -11.500 -9.749 -2.445 125 HG2 LYS 26 HG2 LYS 26 -11.870 -11.840 -1.602 126 HG3 LYS 26 HG1 LYS 26 -10.140 -12.200 -1.462 127 HD2 LYS 26 HD2 LYS 26 -10.180 -10.310 0.336 128 HD3 LYS 26 HD1 LYS 26 -11.910 -10.640 0.376 129 HE2 LYS 26 HE2 LYS 26 -10.940 -13.150 0.507 130 HE3 LYS 26 HE1 LYS 26 -9.652 -12.270 1.321 131 HZ1 LYS 26 HZ3 LYS 26 -12.380 -11.640 2.121 132 HZ2 LYS 26 HZ1 LYS 26 -10.970 -11.740 3.057 133 HZ3 LYS 26 HZ2 LYS 26 -11.780 -13.150 2.587 134 H ALA 27 HN ALA 27 -10.820 -8.959 -5.156 135 HA ALA 27 HA ALA 27 -13.020 -10.540 -6.080 136 HB1 ALA 27 HB3 ALA 27 -13.740 -8.670 -7.201 137 HB2 ALA 27 HB1 ALA 27 -12.100 -8.089 -7.501 138 HB3 ALA 27 HB2 ALA 27 -12.810 -7.956 -5.888 139 H GLY 28 HN GLY 28 -9.804 -9.786 -7.225 140 HA2 GLY 28 HA2 GLY 28 -9.101 -11.830 -8.681 141 HA3 GLY 28 HA1 GLY 28 -10.320 -11.170 -9.755 142 H ASN 29 HN ASN 29 -9.631 -8.399 -8.975 143 HA ASN 29 HA ASN 29 -7.693 -7.928 -11.000 144 HB2 ASN 29 HB2 ASN 29 -9.005 -6.135 -8.960 145 HB3 ASN 29 HB1 ASN 29 -7.824 -5.538 -10.120 146 HD21 ASN 29 HD21 ASN 29 -10.110 -4.336 -10.280 147 HD22 ASN 29 HD22 ASN 29 -11.060 -4.888 -11.610 148 H TYR 30 HN TYR 30 -5.616 -8.417 -10.740 149 HA TYR 30 HA TYR 30 -4.376 -8.073 -8.108 150 HD1 TYR 30 HD2 TYR 30 -5.969 -10.120 -8.638 151 HD2 TYR 30 HD1 TYR 30 -1.892 -11.310 -8.396 152 HE1 TYR 30 HE2 TYR 30 -6.611 -12.000 -7.190 153 HE2 TYR 30 HE1 TYR 30 -2.522 -13.200 -6.949 154 HH TYR 30 HH TYR 30 -5.102 -13.450 -5.276 155 HB2 TYR 30 HB2 TYR 30 -3.716 -9.706 -10.520 156 HB3 TYR 30 HB1 TYR 30 -2.430 -9.275 -9.406 157 H GLU 31 HN GLU 31 -4.201 -6.971 -11.430 158 HA GLU 31 HA GLU 31 -1.756 -5.564 -11.220 159 HB2 GLU 31 HB2 GLU 31 -4.088 -5.465 -13.100 160 HB3 GLU 31 HB1 GLU 31 -2.836 -4.235 -13.200 161 HG2 GLU 31 HG2 GLU 31 -1.341 -6.495 -13.150 162 HG3 GLU 31 HG1 GLU 31 -2.783 -7.052 -14.000 163 H GLU 32 HN GLU 32 -5.129 -4.419 -11.080 164 HA GLU 32 HA GLU 32 -4.484 -1.749 -10.450 165 HB2 GLU 32 HB2 GLU 32 -6.706 -2.714 -11.300 166 HB3 GLU 32 HB1 GLU 32 -7.040 -3.112 -9.629 167 HG2 GLU 32 HG2 GLU 32 -8.012 -1.092 -9.630 168 HG3 GLU 32 HG1 GLU 32 -6.363 -0.531 -9.356 169 H ALA 33 HN ALA 33 -5.363 -4.521 -8.418 170 HA ALA 33 HA ALA 33 -5.402 -3.186 -5.957 171 HB1 ALA 33 HB3 ALA 33 -5.083 -6.021 -6.801 172 HB2 ALA 33 HB1 ALA 33 -6.324 -5.273 -5.796 173 HB3 ALA 33 HB2 ALA 33 -4.725 -5.594 -5.127 174 H LEU 34 HN LEU 34 -2.753 -4.586 -7.800 175 HA LEU 34 HA LEU 34 -0.772 -4.522 -5.822 176 HG LEU 34 HG LEU 34 1.553 -3.502 -7.564 177 HB2 LEU 34 HB2 LEU 34 -0.473 -5.708 -7.921 178 HB3 LEU 34 HB1 LEU 34 -0.531 -4.199 -8.813 179 HD11 LEU 34 HD11 LEU 34 1.048 -5.516 -5.893 180 HD12 LEU 34 HD12 LEU 34 2.676 -4.900 -6.180 181 HD13 LEU 34 HD13 LEU 34 2.122 -6.352 -7.014 182 HD21 LEU 34 HD23 LEU 34 2.226 -5.969 -9.058 183 HD22 LEU 34 HD21 LEU 34 2.855 -4.330 -9.229 184 HD23 LEU 34 HD22 LEU 34 1.279 -4.745 -9.903 185 H GLN 35 HN GLN 35 -1.585 -2.104 -8.306 186 HA GLN 35 HA GLN 35 0.322 -0.195 -7.556 187 HB2 GLN 35 HB2 GLN 35 -2.226 -0.145 -9.100 188 HB3 GLN 35 HB1 GLN 35 -1.554 1.394 -8.578 189 HG2 GLN 35 HG2 GLN 35 0.382 -0.410 -9.828 190 HG3 GLN 35 HG1 GLN 35 -0.925 0.116 -10.880 191 HE21 GLN 35 HE21 GLN 35 -1.414 2.592 -10.440 192 HE22 GLN 35 HE22 GLN 35 -0.018 3.604 -10.550 193 H LEU 36 HN LEU 36 -2.852 -0.925 -6.284 194 HA LEU 36 HA LEU 36 -3.059 1.462 -4.709 195 HG LEU 36 HG LEU 36 -4.786 0.167 -6.687 196 HB2 LEU 36 HB2 LEU 36 -4.565 -1.141 -4.440 197 HB3 LEU 36 HB1 LEU 36 -5.007 0.390 -3.708 198 HD11 LEU 36 HD11 LEU 36 -7.416 -0.142 -6.348 199 HD12 LEU 36 HD12 LEU 36 -6.844 -1.034 -4.938 200 HD13 LEU 36 HD13 LEU 36 -6.310 -1.501 -6.553 201 HD21 LEU 36 HD23 LEU 36 -6.596 1.823 -4.940 202 HD22 LEU 36 HD21 LEU 36 -6.313 2.000 -6.672 203 HD23 LEU 36 HD22 LEU 36 -5.024 2.367 -5.526 204 H TYR 37 HN TYR 37 -2.012 -1.856 -4.155 205 HA TYR 37 HA TYR 37 -1.802 -1.764 -1.363 206 HD1 TYR 37 HD1 TYR 37 -2.727 -3.355 -0.579 207 HD2 TYR 37 HD2 TYR 37 -1.436 -5.335 -4.116 208 HE1 TYR 37 HE1 TYR 37 -4.633 -4.898 -0.403 209 HE2 TYR 37 HE2 TYR 37 -3.339 -6.884 -3.951 210 HH TYR 37 HH TYR 37 -4.955 -7.552 -1.451 211 HB2 TYR 37 HB2 TYR 37 -0.358 -3.382 -3.456 212 HB3 TYR 37 HB1 TYR 37 -0.037 -3.586 -1.737 213 H GLN 38 HN GLN 38 0.531 -0.931 -3.895 214 HA GLN 38 HA GLN 38 2.688 -0.370 -2.155 215 HB2 GLN 38 HB2 GLN 38 2.122 0.664 -4.940 216 HB3 GLN 38 HB1 GLN 38 3.658 0.821 -4.099 217 HG2 GLN 38 HG2 GLN 38 3.988 -1.543 -4.113 218 HG3 GLN 38 HG1 GLN 38 2.361 -1.816 -4.737 219 HE21 GLN 38 HE21 GLN 38 3.408 -3.013 -6.428 220 HE22 GLN 38 HE22 GLN 38 4.084 -2.181 -7.783 221 H HIS 39 HN HIS 39 0.194 1.681 -3.616 222 HA HIS 39 HA HIS 39 1.148 4.148 -2.695 223 HD1 HIS 39 HD1 HIS 39 -2.292 5.591 -5.166 224 HD2 HIS 39 HD2 HIS 39 1.649 4.295 -4.932 225 HE1 HIS 39 HE1 HIS 39 -1.133 6.602 -7.155 226 HE2 HIS 39 HE2 HIS 39 1.230 5.734 -7.040 227 HB2 HIS 39 HB2 HIS 39 -1.466 3.111 -3.661 228 HB3 HIS 39 HB1 HIS 39 -1.484 4.634 -2.778 229 H ALA 40 HN ALA 40 -1.054 1.810 -1.208 230 HA ALA 40 HA ALA 40 -1.799 3.323 1.024 231 HB1 ALA 40 HB3 ALA 40 -1.695 0.397 0.438 232 HB2 ALA 40 HB1 ALA 40 -3.089 1.436 0.734 233 HB3 ALA 40 HB2 ALA 40 -2.053 0.949 2.075 234 H VAL 41 HN VAL 41 0.925 1.100 0.557 235 HA VAL 41 HA VAL 41 1.917 1.283 3.201 236 HB VAL 41 HB VAL 41 3.510 0.654 0.713 237 HG11 VAL 41 HG11 VAL 41 5.012 -0.499 2.164 238 HG12 VAL 41 HG12 VAL 41 3.943 -0.269 3.547 239 HG13 VAL 41 HG13 VAL 41 4.764 1.116 2.828 240 HG21 VAL 41 HG23 VAL 41 1.271 -0.686 1.472 241 HG22 VAL 41 HG21 VAL 41 2.517 -1.565 2.358 242 HG23 VAL 41 HG22 VAL 41 2.625 -1.410 0.604 243 H GLN 42 HN GLN 42 2.561 3.107 0.252 244 HA GLN 42 HA GLN 42 4.783 4.560 1.146 245 HB2 GLN 42 HB2 GLN 42 2.711 4.974 -0.965 246 HB3 GLN 42 HB1 GLN 42 3.780 6.310 -0.560 247 HG2 GLN 42 HG2 GLN 42 5.662 4.546 -0.889 248 HG3 GLN 42 HG1 GLN 42 4.425 3.675 -1.795 249 HE21 GLN 42 HE21 GLN 42 6.915 5.764 -2.086 250 HE22 GLN 42 HE22 GLN 42 6.473 6.557 -3.556 251 H TYR 43 HN TYR 43 1.325 5.393 1.212 252 HA TYR 43 HA TYR 43 1.712 7.866 2.560 253 HD1 TYR 43 HD2 TYR 43 0.539 9.491 1.224 254 HD2 TYR 43 HD1 TYR 43 -1.399 5.875 0.098 255 HE1 TYR 43 HE2 TYR 43 0.293 10.345 -1.068 256 HE2 TYR 43 HE1 TYR 43 -1.650 6.718 -2.199 257 HH TYR 43 HH TYR 43 -1.365 9.857 -3.047 258 HB2 TYR 43 HB2 TYR 43 -0.764 6.149 2.291 259 HB3 TYR 43 HB1 TYR 43 -0.744 7.800 2.901 260 H PHE 44 HN PHE 44 0.926 4.592 3.618 261 HA PHE 44 HA PHE 44 0.342 5.158 6.297 262 HD1 PHE 44 HD2 PHE 44 -1.057 4.184 7.349 263 HD2 PHE 44 HD1 PHE 44 -0.528 1.385 4.188 264 HE1 PHE 44 HE2 PHE 44 -3.453 3.633 7.442 265 HE2 PHE 44 HE1 PHE 44 -2.924 0.829 4.274 266 HZ PHE 44 HZ PHE 44 -4.389 1.953 5.903 267 HB2 PHE 44 HB2 PHE 44 1.236 2.736 4.800 268 HB3 PHE 44 HB1 PHE 44 1.312 2.700 6.559 269 H LEU 45 HN LEU 45 3.413 4.027 4.877 270 HA LEU 45 HA LEU 45 4.931 4.207 7.222 271 HG LEU 45 HG LEU 45 4.796 2.274 4.823 272 HB2 LEU 45 HB2 LEU 45 5.804 4.477 4.345 273 HB3 LEU 45 HB1 LEU 45 6.894 4.260 5.701 274 HD11 LEU 45 HD11 LEU 45 7.765 2.421 4.382 275 HD12 LEU 45 HD12 LEU 45 6.484 2.264 3.179 276 HD13 LEU 45 HD13 LEU 45 6.854 0.916 4.254 277 HD21 LEU 45 HD23 LEU 45 5.055 1.900 7.099 278 HD22 LEU 45 HD21 LEU 45 6.764 2.338 7.078 279 HD23 LEU 45 HD22 LEU 45 6.237 0.804 6.384 280 H HIS 46 HN HIS 46 4.059 6.615 4.836 281 HA HIS 46 HA HIS 46 5.915 8.604 5.511 282 HD1 HIS 46 HD1 HIS 46 6.051 10.680 3.065 283 HD2 HIS 46 HD2 HIS 46 2.876 11.535 5.606 284 HE1 HIS 46 HE1 HIS 46 6.028 13.184 3.293 285 HE2 HIS 46 HE2 HIS 46 4.045 13.683 4.765 286 HB2 HIS 46 HB2 HIS 46 4.510 8.684 3.488 287 HB3 HIS 46 HB1 HIS 46 3.087 8.947 4.491 288 H VAL 47 HN VAL 47 2.695 7.893 6.800 289 HA VAL 47 HA VAL 47 2.473 10.111 8.504 290 HB VAL 47 HB VAL 47 1.318 7.374 9.040 291 HG11 VAL 47 HG11 VAL 47 -0.001 8.338 10.584 292 HG12 VAL 47 HG12 VAL 47 -0.218 9.806 9.631 293 HG13 VAL 47 HG13 VAL 47 1.239 9.592 10.601 294 HG21 VAL 47 HG23 VAL 47 0.410 7.619 6.989 295 HG22 VAL 47 HG21 VAL 47 0.694 9.359 6.952 296 HG23 VAL 47 HG22 VAL 47 -0.689 8.709 7.832 297 H VAL 48 HN VAL 48 3.532 6.786 9.241 298 HA VAL 48 HA VAL 48 4.274 7.375 11.918 299 HB VAL 48 HB VAL 48 5.308 5.099 10.227 300 HG11 VAL 48 HG11 VAL 48 6.102 4.170 12.120 301 HG12 VAL 48 HG12 VAL 48 4.756 4.756 13.097 302 HG13 VAL 48 HG13 VAL 48 6.095 5.834 12.704 303 HG21 VAL 48 HG23 VAL 48 3.371 3.870 11.427 304 HG22 VAL 48 HG21 VAL 48 3.012 4.847 10.002 305 HG23 VAL 48 HG22 VAL 48 2.683 5.483 11.614 306 H LYS 49 HN LYS 49 6.006 7.345 8.858 307 HA LYS 49 HA LYS 49 8.623 7.508 9.848 308 HB2 LYS 49 HB2 LYS 49 8.115 7.022 7.502 309 HB3 LYS 49 HB1 LYS 49 7.480 8.648 7.291 310 HG2 LYS 49 HG2 LYS 49 9.716 8.458 6.371 311 HG3 LYS 49 HG1 LYS 49 9.692 9.577 7.735 312 HD2 LYS 49 HD2 LYS 49 10.260 6.794 8.462 313 HD3 LYS 49 HD1 LYS 49 11.472 7.533 7.414 314 HE2 LYS 49 HE2 LYS 49 11.199 9.529 9.135 315 HE3 LYS 49 HE1 LYS 49 10.683 8.219 10.196 316 HZ1 LYS 49 HZ3 LYS 49 13.245 8.256 8.696 317 HZ2 LYS 49 HZ1 LYS 49 12.757 7.101 9.833 318 HZ3 LYS 49 HZ2 LYS 49 13.082 8.687 10.323 319 H TYR 50 HN TYR 50 6.146 9.940 9.416 320 HA TYR 50 HA TYR 50 8.029 12.034 10.249 321 HD1 TYR 50 HD1 TYR 50 7.345 10.760 7.482 322 HD2 TYR 50 HD2 TYR 50 6.963 14.963 8.022 323 HE1 TYR 50 HE1 TYR 50 8.631 11.135 5.420 324 HE2 TYR 50 HE2 TYR 50 8.247 15.350 5.961 325 HH TYR 50 HH TYR 50 8.640 13.495 3.661 326 HB2 TYR 50 HB2 TYR 50 5.341 12.129 8.892 327 HB3 TYR 50 HB1 TYR 50 6.067 13.561 9.612 328 H GLU 51 HN GLU 51 4.571 11.348 10.812 329 HA GLU 51 HA GLU 51 4.942 11.341 13.667 330 HB2 GLU 51 HB2 GLU 51 3.260 13.232 13.975 331 HB3 GLU 51 HB1 GLU 51 4.888 13.692 13.495 332 HG2 GLU 51 HG2 GLU 51 4.241 14.300 11.377 333 HG3 GLU 51 HG1 GLU 51 2.815 13.265 11.400 334 H ALA 52 HN ALA 52 3.929 9.383 13.758 335 HA ALA 52 HA ALA 52 1.555 8.727 12.372 336 HB1 ALA 52 HB3 ALA 52 2.091 7.308 14.899 337 HB2 ALA 52 HB1 ALA 52 3.394 7.286 13.711 338 HB3 ALA 52 HB2 ALA 52 1.797 6.676 13.279 339 H GLN 53 HN GLN 53 -0.189 7.649 14.152 340 HA GLN 53 HA GLN 53 -1.414 10.038 15.279 341 HB2 GLN 53 HB2 GLN 53 -2.547 7.242 15.099 342 HB3 GLN 53 HB1 GLN 53 -3.434 8.720 15.447 343 HG2 GLN 53 HG2 GLN 53 -1.935 8.618 12.900 344 HG3 GLN 53 HG1 GLN 53 -3.371 7.604 13.036 345 HE21 GLN 53 HE21 GLN 53 -2.714 10.087 11.477 346 HE22 GLN 53 HE22 GLN 53 -4.014 11.171 11.823 347 H GLY 54 HN GLY 54 -0.053 6.972 16.300 348 HA2 GLY 54 HA2 GLY 54 0.590 7.817 18.872 349 HA3 GLY 54 HA1 GLY 54 -0.981 7.037 18.977 350 H ASP 55 HN ASP 55 0.635 5.771 20.461 351 HA ASP 55 HA ASP 55 2.486 3.989 19.352 352 HB2 ASP 55 HB2 ASP 55 1.902 4.610 21.855 353 HB3 ASP 55 HB1 ASP 55 0.884 3.177 21.741 354 H LYS 56 HN LYS 56 -0.888 3.369 20.331 355 HA LYS 56 HA LYS 56 -1.021 0.749 19.353 356 HB2 LYS 56 HB2 LYS 56 -3.109 2.837 19.919 357 HB3 LYS 56 HB1 LYS 56 -3.551 1.268 19.260 358 HG2 LYS 56 HG2 LYS 56 -3.086 0.166 21.192 359 HG3 LYS 56 HG1 LYS 56 -1.824 1.304 21.668 360 HD2 LYS 56 HD2 LYS 56 -3.930 2.938 21.807 361 HD3 LYS 56 HD1 LYS 56 -4.752 1.408 22.119 362 HE2 LYS 56 HE2 LYS 56 -3.746 1.123 24.128 363 HE3 LYS 56 HE1 LYS 56 -2.239 1.870 23.600 364 HZ1 LYS 56 HZ3 LYS 56 -4.690 3.460 24.066 365 HZ2 LYS 56 HZ1 LYS 56 -3.090 4.001 23.969 366 HZ3 LYS 56 HZ2 LYS 56 -3.602 3.112 25.314 367 H ALA 57 HN ALA 57 -1.397 3.834 17.763 368 HA ALA 57 HA ALA 57 -2.585 2.804 15.377 369 HB1 ALA 57 HB3 ALA 57 -2.499 5.250 16.360 370 HB2 ALA 57 HB1 ALA 57 -2.615 4.961 14.624 371 HB3 ALA 57 HB2 ALA 57 -1.057 5.355 15.351 372 H LYS 58 HN LYS 58 0.710 3.690 16.335 373 HA LYS 58 HA LYS 58 1.951 3.309 13.857 374 HB2 LYS 58 HB2 LYS 58 3.022 2.997 16.664 375 HB3 LYS 58 HB1 LYS 58 4.032 2.939 15.226 376 HG2 LYS 58 HG2 LYS 58 3.801 5.181 14.802 377 HG3 LYS 58 HG1 LYS 58 2.257 5.292 15.648 378 HD2 LYS 58 HD2 LYS 58 3.640 4.750 17.762 379 HD3 LYS 58 HD1 LYS 58 5.031 5.214 16.781 380 HE2 LYS 58 HE2 LYS 58 2.688 7.040 16.837 381 HE3 LYS 58 HE1 LYS 58 3.712 6.967 18.270 382 HZ1 LYS 58 HZ3 LYS 58 5.595 7.246 16.502 383 HZ2 LYS 58 HZ1 LYS 58 4.748 8.594 17.076 384 HZ3 LYS 58 HZ2 LYS 58 4.354 7.924 15.574 385 H GLN 59 HN GLN 59 1.670 1.046 16.597 386 HA GLN 59 HA GLN 59 2.894 -1.138 15.347 387 HB2 GLN 59 HB2 GLN 59 1.686 -2.513 17.046 388 HB3 GLN 59 HB1 GLN 59 2.562 -1.149 17.726 389 HG2 GLN 59 HG2 GLN 59 0.647 -0.830 18.848 390 HG3 GLN 59 HG1 GLN 59 0.159 -0.011 17.365 391 HE21 GLN 59 HE21 GLN 59 -1.305 -1.567 19.492 392 HE22 GLN 59 HE22 GLN 59 -2.249 -2.713 18.608 393 H SER 60 HN SER 60 -0.391 0.063 15.215 394 HA SER 60 HA SER 60 -1.580 -2.220 14.044 395 HG SER 60 HG SER 60 -3.876 -1.801 13.676 396 HB2 SER 60 HB2 SER 60 -2.826 -0.331 15.128 397 HB3 SER 60 HB1 SER 60 -2.455 0.657 13.716 398 H ILE 61 HN ILE 61 -0.275 0.768 12.629 399 HA ILE 61 HA ILE 61 -0.787 -0.001 9.939 400 HB ILE 61 HB ILE 61 1.238 2.017 10.911 401 HG12 ILE 61 HG12 ILE 61 -1.570 2.647 10.032 402 HG13 ILE 61 HG11 ILE 61 -1.210 2.262 11.712 403 HG21 ILE 61 HG21 ILE 61 1.486 1.363 8.566 404 HG22 ILE 61 HG22 ILE 61 0.939 3.033 8.716 405 HG23 ILE 61 HG23 ILE 61 -0.206 1.766 8.275 406 HD11 ILE 61 HD13 ILE 61 0.209 4.152 11.922 407 HD12 ILE 61 HD11 ILE 61 -1.290 4.695 11.167 408 HD13 ILE 61 HD12 ILE 61 0.157 4.459 10.186 409 H ARG 62 HN ARG 62 1.929 -0.386 12.125 410 HA ARG 62 HA ARG 62 3.908 -1.095 10.283 411 HE ARG 62 HE ARG 62 7.001 0.997 13.346 412 HB2 ARG 62 HB2 ARG 62 3.452 -1.672 13.183 413 HB3 ARG 62 HB1 ARG 62 4.745 -2.510 12.336 414 HG2 ARG 62 HG2 ARG 62 5.929 -0.549 11.943 415 HG3 ARG 62 HG1 ARG 62 4.516 0.471 12.220 416 HD2 ARG 62 HD2 ARG 62 4.590 0.096 14.557 417 HD3 ARG 62 HD1 ARG 62 5.754 -1.217 14.380 418 HH11 ARG 62 HH11 ARG 62 5.584 0.137 16.417 419 HH12 ARG 62 HH12 ARG 62 6.650 1.148 17.334 420 HH21 ARG 62 HH21 ARG 62 8.405 2.327 14.550 421 HH22 ARG 62 HH22 ARG 62 8.251 2.392 16.274 422 H ALA 63 HN ALA 63 1.568 -3.126 12.017 423 HA ALA 63 HA ALA 63 2.458 -5.574 10.889 424 HB1 ALA 63 HB3 ALA 63 1.281 -5.928 12.825 425 HB2 ALA 63 HB1 ALA 63 0.034 -6.266 11.625 426 HB3 ALA 63 HB2 ALA 63 0.070 -4.704 12.443 427 H LYS 64 HN LYS 64 0.152 -3.139 9.895 428 HA LYS 64 HA LYS 64 -1.055 -4.745 7.848 429 HB2 LYS 64 HB2 LYS 64 -1.131 -1.784 8.430 430 HB3 LYS 64 HB1 LYS 64 -2.015 -2.528 7.105 431 HG2 LYS 64 HG2 LYS 64 -3.228 -3.926 8.718 432 HG3 LYS 64 HG1 LYS 64 -2.367 -3.127 10.035 433 HD2 LYS 64 HD2 LYS 64 -4.179 -1.774 8.036 434 HD3 LYS 64 HD1 LYS 64 -4.602 -2.174 9.702 435 HE2 LYS 64 HE2 LYS 64 -2.780 -0.717 10.489 436 HE3 LYS 64 HE1 LYS 64 -2.420 -0.288 8.817 437 HZ1 LYS 64 HZ3 LYS 64 -4.429 0.851 8.604 438 HZ2 LYS 64 HZ1 LYS 64 -3.874 1.293 10.141 439 HZ3 LYS 64 HZ2 LYS 64 -5.102 0.141 9.983 440 H CYS 65 HN CYS 65 1.435 -2.240 7.964 441 HA CYS 65 HA CYS 65 1.810 -1.953 5.196 442 HG CYS 65 HG CYS 65 3.236 0.780 5.455 443 HB2 CYS 65 HB2 CYS 65 3.389 -1.317 7.634 444 HB3 CYS 65 HB1 CYS 65 4.259 -1.358 6.104 445 H THR 66 HN THR 66 2.974 -4.325 7.477 446 HA THR 66 HA THR 66 4.916 -5.437 5.655 447 HB THR 66 HB THR 66 5.350 -5.540 8.043 448 HG1 THR 66 HG1 THR 66 5.986 -7.325 6.632 449 HG21 THR 66 HG23 THR 66 4.041 -7.138 9.453 450 HG22 THR 66 HG21 THR 66 2.810 -7.134 8.190 451 HG23 THR 66 HG22 THR 66 3.207 -5.640 9.038 452 H GLU 67 HN GLU 67 1.607 -6.047 6.589 453 HA GLU 67 HA GLU 67 1.424 -8.640 5.413 454 HB2 GLU 67 HB2 GLU 67 -0.112 -7.902 7.181 455 HB3 GLU 67 HB1 GLU 67 -0.754 -6.662 6.113 456 HG2 GLU 67 HG2 GLU 67 -2.274 -8.509 6.178 457 HG3 GLU 67 HG1 GLU 67 -1.532 -8.432 4.581 458 H TYR 68 HN TYR 68 0.426 -5.392 4.369 459 HA TYR 68 HA TYR 68 -0.637 -6.197 1.881 460 HD1 TYR 68 HD2 TYR 68 -2.552 -5.616 2.070 461 HD2 TYR 68 HD1 TYR 68 -1.017 -2.158 4.016 462 HE1 TYR 68 HE2 TYR 68 -4.728 -5.272 3.162 463 HE2 TYR 68 HE1 TYR 68 -3.189 -1.805 5.115 464 HH TYR 68 HH TYR 68 -5.970 -3.118 4.155 465 HB2 TYR 68 HB2 TYR 68 0.439 -3.532 2.817 466 HB3 TYR 68 HB1 TYR 68 -0.374 -3.771 1.274 467 H LEU 69 HN LEU 69 2.565 -5.024 2.837 468 HA LEU 69 HA LEU 69 3.696 -4.872 0.280 469 HG LEU 69 HG LEU 69 4.176 -2.929 2.047 470 HB2 LEU 69 HB2 LEU 69 4.797 -5.205 3.038 471 HB3 LEU 69 HB1 LEU 69 5.870 -5.386 1.663 472 HD11 LEU 69 HD11 LEU 69 5.913 -3.599 3.932 473 HD12 LEU 69 HD12 LEU 69 5.720 -1.933 3.386 474 HD13 LEU 69 HD13 LEU 69 7.051 -2.913 2.773 475 HD21 LEU 69 HD23 LEU 69 6.812 -2.964 0.687 476 HD22 LEU 69 HD21 LEU 69 5.367 -2.015 0.337 477 HD23 LEU 69 HD22 LEU 69 5.449 -3.709 -0.147 478 H ASP 70 HN ASP 70 3.391 -7.568 2.531 479 HA ASP 70 HA ASP 70 5.047 -9.400 1.211 480 HB2 ASP 70 HB2 ASP 70 3.733 -9.492 3.524 481 HB3 ASP 70 HB1 ASP 70 2.572 -10.380 2.548 482 H ARG 71 HN ARG 71 1.564 -8.790 0.877 483 HA ARG 71 HA ARG 71 1.167 -10.770 -1.126 484 HE ARG 71 HE ARG 71 -3.609 -10.550 -2.549 485 HB2 ARG 71 HB2 ARG 71 -0.532 -9.495 0.456 486 HB3 ARG 71 HB1 ARG 71 -0.636 -8.403 -0.918 487 HG2 ARG 71 HG2 ARG 71 -1.475 -10.080 -2.328 488 HG3 ARG 71 HG1 ARG 71 -1.030 -11.360 -1.194 489 HD2 ARG 71 HD2 ARG 71 -2.819 -10.960 0.174 490 HD3 ARG 71 HD1 ARG 71 -2.911 -9.259 -0.267 491 HH11 ARG 71 HH11 ARG 71 -4.752 -10.670 0.747 492 HH12 ARG 71 HH12 ARG 71 -6.374 -11.080 0.301 493 HH21 ARG 71 HH21 ARG 71 -5.741 -11.090 -3.136 494 HH22 ARG 71 HH22 ARG 71 -6.936 -11.320 -1.903 495 H ALA 72 HN ALA 72 1.430 -7.224 -1.261 496 HA ALA 72 HA ALA 72 1.215 -6.976 -4.044 497 HB1 ALA 72 HB3 ALA 72 1.169 -5.178 -2.164 498 HB2 ALA 72 HB1 ALA 72 1.777 -4.755 -3.765 499 HB3 ALA 72 HB2 ALA 72 2.907 -5.096 -2.455 500 H GLU 73 HN GLU 73 3.976 -7.628 -1.969 501 HA GLU 73 HA GLU 73 6.026 -7.200 -3.829 502 HB2 GLU 73 HB2 GLU 73 5.755 -8.801 -1.324 503 HB3 GLU 73 HB1 GLU 73 7.161 -9.076 -2.344 504 HG2 GLU 73 HG2 GLU 73 6.602 -6.256 -1.817 505 HG3 GLU 73 HG1 GLU 73 6.982 -7.204 -0.380 506 H LYS 74 HN LYS 74 4.268 -10.180 -3.004 507 HA LYS 74 HA LYS 74 5.608 -11.730 -4.997 508 HB2 LYS 74 HB2 LYS 74 4.581 -12.630 -2.872 509 HB3 LYS 74 HB1 LYS 74 3.006 -12.390 -3.613 510 HG2 LYS 74 HG2 LYS 74 3.398 -14.020 -5.248 511 HG3 LYS 74 HG1 LYS 74 5.131 -14.060 -4.914 512 HD2 LYS 74 HD2 LYS 74 4.453 -15.960 -3.821 513 HD3 LYS 74 HD1 LYS 74 4.327 -14.780 -2.518 514 HE2 LYS 74 HE2 LYS 74 2.019 -14.720 -2.614 515 HE3 LYS 74 HE1 LYS 74 1.972 -15.290 -4.281 516 HZ1 LYS 74 HZ3 LYS 74 1.232 -17.030 -2.838 517 HZ2 LYS 74 HZ1 LYS 74 2.613 -16.900 -1.869 518 HZ3 LYS 74 HZ2 LYS 74 2.744 -17.470 -3.455 519 H LEU 75 HN LEU 75 2.636 -9.896 -4.837 520 HA LEU 75 HA LEU 75 1.350 -10.920 -7.103 521 HG LEU 75 HG LEU 75 -0.749 -10.350 -7.074 522 HB2 LEU 75 HB2 LEU 75 0.994 -8.748 -5.286 523 HB3 LEU 75 HB1 LEU 75 0.784 -8.152 -6.922 524 HD11 LEU 75 HD11 LEU 75 -0.276 -10.940 -4.720 525 HD12 LEU 75 HD12 LEU 75 -1.990 -10.680 -5.042 526 HD13 LEU 75 HD13 LEU 75 -1.048 -9.444 -4.217 527 HD21 LEU 75 HD23 LEU 75 -2.485 -8.897 -7.229 528 HD22 LEU 75 HD21 LEU 75 -1.169 -7.724 -7.256 529 HD23 LEU 75 HD22 LEU 75 -2.041 -8.035 -5.756 530 H LYS 76 HN LYS 76 3.453 -8.070 -6.789 531 HA LYS 76 HA LYS 76 3.479 -7.504 -9.572 532 HB2 LYS 76 HB2 LYS 76 5.257 -5.925 -9.045 533 HB3 LYS 76 HB1 LYS 76 3.960 -5.800 -7.864 534 HG2 LYS 76 HG2 LYS 76 5.376 -7.384 -6.430 535 HG3 LYS 76 HG1 LYS 76 6.693 -6.974 -7.531 536 HD2 LYS 76 HD2 LYS 76 5.906 -4.512 -7.012 537 HD3 LYS 76 HD1 LYS 76 5.264 -5.267 -5.551 538 HE2 LYS 76 HE2 LYS 76 7.332 -5.745 -4.722 539 HE3 LYS 76 HE1 LYS 76 8.051 -5.927 -6.322 540 HZ1 LYS 76 HZ3 LYS 76 8.969 -3.973 -5.524 541 HZ2 LYS 76 HZ1 LYS 76 7.529 -3.451 -4.805 542 HZ3 LYS 76 HZ2 LYS 76 7.698 -3.409 -6.487 543 H GLU 77 HN GLU 77 5.353 -9.585 -7.513 544 HA GLU 77 HA GLU 77 7.677 -9.905 -8.988 545 HB2 GLU 77 HB2 GLU 77 6.160 -11.580 -7.068 546 HB3 GLU 77 HB1 GLU 77 7.383 -12.390 -8.041 547 HG2 GLU 77 HG2 GLU 77 9.108 -11.040 -7.168 548 HG3 GLU 77 HG1 GLU 77 7.962 -9.915 -6.451 549 H TYR 78 HN TYR 78 4.700 -11.860 -9.207 550 HA TYR 78 HA TYR 78 5.617 -13.330 -11.460 551 HD1 TYR 78 HD2 TYR 78 1.996 -12.890 -12.800 552 HD2 TYR 78 HD1 TYR 78 2.262 -12.710 -8.561 553 HE1 TYR 78 HE2 TYR 78 -0.174 -11.740 -12.720 554 HE2 TYR 78 HE1 TYR 78 0.090 -11.560 -8.471 555 HH TYR 78 HH TYR 78 -2.094 -11.590 -10.500 556 HB2 TYR 78 HB2 TYR 78 3.531 -14.400 -11.450 557 HB3 TYR 78 HB1 TYR 78 3.815 -14.010 -9.762 558 H LEU 79 HN LEU 79 3.747 -10.400 -11.040 559 HA LEU 79 HA LEU 79 2.799 -10.190 -13.700 560 HG LEU 79 HG LEU 79 1.285 -9.715 -11.240 561 HB2 LEU 79 HB2 LEU 79 3.216 -8.181 -11.500 562 HB3 LEU 79 HB1 LEU 79 2.605 -7.714 -13.080 563 HD11 LEU 79 HD11 LEU 79 1.100 -6.787 -11.470 564 HD12 LEU 79 HD12 LEU 79 0.738 -7.852 -10.110 565 HD13 LEU 79 HD13 LEU 79 -0.436 -7.652 -11.410 566 HD21 LEU 79 HD23 LEU 79 -0.617 -9.472 -12.790 567 HD22 LEU 79 HD21 LEU 79 0.806 -10.140 -13.580 568 HD23 LEU 79 HD22 LEU 79 0.379 -8.456 -13.830 569 H LYS 80 HN LYS 80 5.758 -9.172 -12.110 570 HA LYS 80 HA LYS 80 6.698 -7.639 -14.350 571 HB2 LYS 80 HB2 LYS 80 7.723 -8.380 -11.670 572 HB3 LYS 80 HB1 LYS 80 8.930 -8.030 -12.900 573 HG2 LYS 80 HG2 LYS 80 8.416 -5.828 -12.970 574 HG3 LYS 80 HG1 LYS 80 6.708 -6.100 -12.620 575 HD2 LYS 80 HD2 LYS 80 7.242 -5.259 -10.600 576 HD3 LYS 80 HD1 LYS 80 7.834 -6.892 -10.290 577 HE2 LYS 80 HE2 LYS 80 9.731 -5.079 -11.630 578 HE3 LYS 80 HE1 LYS 80 9.313 -4.652 -9.976 579 HZ1 LYS 80 HZ3 LYS 80 10.414 -7.250 -10.900 580 HZ2 LYS 80 HZ1 LYS 80 9.926 -6.922 -9.315 581 HZ3 LYS 80 HZ2 LYS 80 11.228 -6.080 -9.991 582 H ASN 81 HN ASN 81 7.341 -10.840 -13.000 583 HA ASN 81 HA ASN 81 9.443 -11.570 -14.710 584 HB2 ASN 81 HB2 ASN 81 7.403 -13.130 -13.150 585 HB3 ASN 81 HB1 ASN 81 8.535 -13.960 -14.220 586 HD21 ASN 81 HD21 ASN 81 9.203 -14.970 -12.200 587 HD22 ASN 81 HD22 ASN 81 10.377 -14.170 -11.220 Start of MODEL 11 1 H ASN 10 HN ASN 10 -2.105 14.150 3.240 2 HA ASN 10 HA ASN 10 -2.158 12.264 1.075 3 HB2 ASN 10 HB2 ASN 10 -0.056 12.549 3.229 4 HB3 ASN 10 HB1 ASN 10 0.136 11.805 1.644 5 HD21 ASN 10 HD21 ASN 10 0.350 13.096 -0.164 6 HD22 ASN 10 HD22 ASN 10 0.676 14.790 -0.062 7 H LEU 11 HN LEU 11 -2.542 12.149 4.545 8 HA LEU 11 HA LEU 11 -2.249 9.326 4.805 9 HG LEU 11 HG LEU 11 -3.883 8.661 6.963 10 HB2 LEU 11 HB2 LEU 11 -1.942 10.904 6.679 11 HB3 LEU 11 HB1 LEU 11 -3.652 11.286 6.622 12 HD11 LEU 11 HD11 LEU 11 -1.783 7.812 7.100 13 HD12 LEU 11 HD12 LEU 11 -2.005 8.244 8.795 14 HD13 LEU 11 HD13 LEU 11 -1.095 9.310 7.725 15 HD21 LEU 11 HD23 LEU 11 -3.584 9.310 9.539 16 HD22 LEU 11 HD21 LEU 11 -4.962 9.835 8.572 17 HD23 LEU 11 HD22 LEU 11 -3.605 10.929 8.841 18 H GLN 12 HN GLN 12 -4.983 11.500 4.329 19 HA GLN 12 HA GLN 12 -7.053 9.663 4.748 20 HB2 GLN 12 HB2 GLN 12 -7.216 12.193 4.472 21 HB3 GLN 12 HB1 GLN 12 -7.147 11.908 2.738 22 HG2 GLN 12 HG2 GLN 12 -9.121 10.229 3.345 23 HG3 GLN 12 HG1 GLN 12 -9.322 11.378 4.668 24 HE21 GLN 12 HE21 GLN 12 -8.617 13.727 3.435 25 HE22 GLN 12 HE22 GLN 12 -9.771 14.103 2.205 26 H LYS 13 HN LYS 13 -5.206 10.453 1.838 27 HA LYS 13 HA LYS 13 -6.717 8.758 0.114 28 HB2 LYS 13 HB2 LYS 13 -4.990 10.762 -0.344 29 HB3 LYS 13 HB1 LYS 13 -3.899 9.400 -0.561 30 HG2 LYS 13 HG2 LYS 13 -5.968 8.569 -2.057 31 HG3 LYS 13 HG1 LYS 13 -6.146 10.316 -2.229 32 HD2 LYS 13 HD2 LYS 13 -3.500 10.096 -2.616 33 HD3 LYS 13 HD1 LYS 13 -4.014 8.514 -3.206 34 HE2 LYS 13 HE2 LYS 13 -5.397 11.013 -4.109 35 HE3 LYS 13 HE1 LYS 13 -3.890 10.496 -4.863 36 HZ1 LYS 13 HZ3 LYS 13 -5.297 9.367 -6.184 37 HZ2 LYS 13 HZ1 LYS 13 -6.546 9.336 -5.042 38 HZ3 LYS 13 HZ2 LYS 13 -5.271 8.229 -4.932 39 H ALA 14 HN ALA 14 -3.836 8.357 2.077 40 HA ALA 14 HA ALA 14 -2.895 5.948 1.009 41 HB1 ALA 14 HB3 ALA 14 -1.543 7.250 2.520 42 HB2 ALA 14 HB1 ALA 14 -1.784 5.641 3.200 43 HB3 ALA 14 HB2 ALA 14 -2.705 7.009 3.825 44 H ILE 15 HN ILE 15 -5.340 6.594 3.473 45 HA ILE 15 HA ILE 15 -5.737 3.824 4.110 46 HB ILE 15 HB ILE 15 -7.608 6.116 4.702 47 HG12 ILE 15 HG12 ILE 15 -5.462 5.069 6.544 48 HG13 ILE 15 HG11 ILE 15 -5.177 6.424 5.456 49 HG21 ILE 15 HG21 ILE 15 -8.672 4.033 5.091 50 HG22 ILE 15 HG22 ILE 15 -8.173 4.648 6.667 51 HG23 ILE 15 HG23 ILE 15 -7.241 3.373 5.883 52 HD11 ILE 15 HD13 ILE 15 -7.036 7.631 6.530 53 HD12 ILE 15 HD11 ILE 15 -5.730 7.237 7.647 54 HD13 ILE 15 HD12 ILE 15 -7.217 6.291 7.662 55 H ASP 16 HN ASP 16 -7.144 6.132 1.896 56 HA ASP 16 HA ASP 16 -9.482 4.631 1.284 57 HB2 ASP 16 HB2 ASP 16 -8.819 7.163 0.811 58 HB3 ASP 16 HB1 ASP 16 -8.298 6.486 -0.729 59 H LEU 17 HN LEU 17 -6.372 5.048 -0.396 60 HA LEU 17 HA LEU 17 -6.916 3.326 -2.540 61 HG LEU 17 HG LEU 17 -5.843 5.742 -2.755 62 HB2 LEU 17 HB2 LEU 17 -4.330 4.166 -1.245 63 HB3 LEU 17 HB1 LEU 17 -4.383 3.147 -2.671 64 HD11 LEU 17 HD11 LEU 17 -3.922 6.705 -1.962 65 HD12 LEU 17 HD12 LEU 17 -3.557 6.627 -3.686 66 HD13 LEU 17 HD13 LEU 17 -2.888 5.421 -2.587 67 HD21 LEU 17 HD23 LEU 17 -5.456 5.606 -5.053 68 HD22 LEU 17 HD21 LEU 17 -5.768 3.937 -4.574 69 HD23 LEU 17 HD22 LEU 17 -4.113 4.479 -4.854 70 H ALA 18 HN ALA 18 -5.565 2.713 0.661 71 HA ALA 18 HA ALA 18 -4.756 0.062 0.271 72 HB1 ALA 18 HB3 ALA 18 -5.398 0.022 2.870 73 HB2 ALA 18 HB1 ALA 18 -5.374 1.765 2.605 74 HB3 ALA 18 HB2 ALA 18 -3.942 0.800 2.249 75 H SER 19 HN SER 19 -7.863 1.391 1.351 76 HA SER 19 HA SER 19 -9.139 -1.053 1.869 77 HG SER 19 HG SER 19 -10.520 -0.075 3.421 78 HB2 SER 19 HB2 SER 19 -10.080 1.723 1.267 79 HB3 SER 19 HB1 SER 19 -11.250 0.402 1.292 80 H LYS 20 HN LYS 20 -8.807 0.833 -1.090 81 HA LYS 20 HA LYS 20 -10.580 -0.747 -2.647 82 HB2 LYS 20 HB2 LYS 20 -8.555 1.362 -3.196 83 HB3 LYS 20 HB1 LYS 20 -9.055 0.343 -4.539 84 HG2 LYS 20 HG2 LYS 20 -11.220 1.487 -2.892 85 HG3 LYS 20 HG1 LYS 20 -10.280 2.621 -3.873 86 HD2 LYS 20 HD2 LYS 20 -10.710 0.630 -5.661 87 HD3 LYS 20 HD1 LYS 20 -12.180 0.525 -4.687 88 HE2 LYS 20 HE2 LYS 20 -11.340 3.238 -5.490 89 HE3 LYS 20 HE1 LYS 20 -11.890 2.182 -6.790 90 HZ1 LYS 20 HZ3 LYS 20 -13.700 3.491 -5.824 91 HZ2 LYS 20 HZ1 LYS 20 -13.430 2.775 -4.316 92 HZ3 LYS 20 HZ2 LYS 20 -13.960 1.832 -5.616 93 H ALA 21 HN ALA 21 -7.060 -0.723 -2.245 94 HA ALA 21 HA ALA 21 -6.483 -2.732 -4.124 95 HB1 ALA 21 HB3 ALA 21 -4.883 -2.205 -1.632 96 HB2 ALA 21 HB1 ALA 21 -4.857 -1.133 -3.032 97 HB3 ALA 21 HB2 ALA 21 -4.313 -2.803 -3.190 98 H ALA 22 HN ALA 22 -6.961 -2.921 -0.603 99 HA ALA 22 HA ALA 22 -6.588 -5.699 -0.379 100 HB1 ALA 22 HB3 ALA 22 -6.754 -3.801 1.432 101 HB2 ALA 22 HB1 ALA 22 -7.187 -5.466 1.820 102 HB3 ALA 22 HB2 ALA 22 -8.450 -4.286 1.466 103 H GLN 23 HN GLN 23 -9.392 -3.757 -1.185 104 HA GLN 23 HA GLN 23 -11.220 -5.981 -1.015 105 HB2 GLN 23 HB2 GLN 23 -11.420 -3.091 -1.731 106 HB3 GLN 23 HB1 GLN 23 -12.690 -4.179 -2.291 107 HG2 GLN 23 HG2 GLN 23 -12.560 -4.912 0.290 108 HG3 GLN 23 HG1 GLN 23 -12.070 -3.222 0.423 109 HE21 GLN 23 HE21 GLN 23 -13.880 -2.430 1.370 110 HE22 GLN 23 HE22 GLN 23 -15.440 -2.420 0.628 111 H GLU 24 HN GLU 24 -9.361 -4.347 -3.478 112 HA GLU 24 HA GLU 24 -10.710 -5.476 -5.716 113 HB2 GLU 24 HB2 GLU 24 -8.067 -4.103 -5.331 114 HB3 GLU 24 HB1 GLU 24 -8.472 -4.844 -6.873 115 HG2 GLU 24 HG2 GLU 24 -10.270 -2.844 -5.547 116 HG3 GLU 24 HG1 GLU 24 -8.943 -2.364 -6.604 117 H ASP 25 HN ASP 25 -7.721 -6.312 -3.991 118 HA ASP 25 HA ASP 25 -7.042 -8.518 -5.617 119 HB2 ASP 25 HB2 ASP 25 -5.510 -7.308 -4.016 120 HB3 ASP 25 HB1 ASP 25 -6.322 -8.158 -2.705 121 H LYS 26 HN LYS 26 -8.767 -8.304 -2.519 122 HA LYS 26 HA LYS 26 -9.177 -11.060 -2.172 123 HB2 LYS 26 HB2 LYS 26 -9.628 -8.906 -0.630 124 HB3 LYS 26 HB1 LYS 26 -11.260 -9.197 -1.193 125 HG2 LYS 26 HG2 LYS 26 -11.340 -10.520 0.624 126 HG3 LYS 26 HG1 LYS 26 -10.600 -11.680 -0.467 127 HD2 LYS 26 HD2 LYS 26 -8.612 -11.600 0.600 128 HD3 LYS 26 HD1 LYS 26 -8.735 -9.876 0.914 129 HE2 LYS 26 HE2 LYS 26 -10.050 -12.110 2.436 130 HE3 LYS 26 HE1 LYS 26 -8.797 -11.020 3.013 131 HZ1 LYS 26 HZ3 LYS 26 -11.650 -10.520 2.631 132 HZ2 LYS 26 HZ1 LYS 26 -10.580 -9.233 2.418 133 HZ3 LYS 26 HZ2 LYS 26 -10.640 -10.050 3.897 134 H ALA 27 HN ALA 27 -10.890 -8.654 -4.035 135 HA ALA 27 HA ALA 27 -13.190 -10.290 -4.530 136 HB1 ALA 27 HB3 ALA 27 -12.230 -7.632 -5.418 137 HB2 ALA 27 HB1 ALA 27 -13.800 -8.115 -4.758 138 HB3 ALA 27 HB2 ALA 27 -13.410 -8.462 -6.443 139 H GLY 28 HN GLY 28 -10.280 -9.411 -6.349 140 HA2 GLY 28 HA2 GLY 28 -9.772 -11.730 -7.623 141 HA3 GLY 28 HA1 GLY 28 -11.050 -11.040 -8.608 142 H ASN 29 HN ASN 29 -10.140 -8.288 -8.083 143 HA ASN 29 HA ASN 29 -8.318 -8.088 -10.270 144 HB2 ASN 29 HB2 ASN 29 -9.262 -5.964 -8.333 145 HB3 ASN 29 HB1 ASN 29 -8.413 -5.665 -9.846 146 HD21 ASN 29 HD21 ASN 29 -10.520 -4.337 -9.901 147 HD22 ASN 29 HD22 ASN 29 -11.840 -5.090 -10.720 148 H TYR 30 HN TYR 30 -6.232 -8.552 -10.090 149 HA TYR 30 HA TYR 30 -4.858 -7.998 -7.556 150 HD1 TYR 30 HD2 TYR 30 -6.584 -10.050 -7.877 151 HD2 TYR 30 HD1 TYR 30 -2.548 -11.350 -7.536 152 HE1 TYR 30 HE2 TYR 30 -7.276 -11.750 -6.240 153 HE2 TYR 30 HE1 TYR 30 -3.229 -13.060 -5.899 154 HH TYR 30 HH TYR 30 -5.778 -14.310 -5.495 155 HB2 TYR 30 HB2 TYR 30 -4.346 -9.906 -9.812 156 HB3 TYR 30 HB1 TYR 30 -3.023 -9.423 -8.757 157 H GLU 31 HN GLU 31 -4.709 -7.395 -11.020 158 HA GLU 31 HA GLU 31 -2.248 -6.060 -11.100 159 HB2 GLU 31 HB2 GLU 31 -4.700 -5.640 -12.820 160 HB3 GLU 31 HB1 GLU 31 -3.086 -5.054 -13.200 161 HG2 GLU 31 HG2 GLU 31 -2.257 -7.257 -13.480 162 HG3 GLU 31 HG1 GLU 31 -3.725 -7.963 -12.810 163 H GLU 32 HN GLU 32 -5.530 -4.667 -10.950 164 HA GLU 32 HA GLU 32 -4.682 -2.008 -10.590 165 HB2 GLU 32 HB2 GLU 32 -7.024 -2.986 -11.200 166 HB3 GLU 32 HB1 GLU 32 -7.269 -3.018 -9.468 167 HG2 GLU 32 HG2 GLU 32 -8.041 -0.946 -9.747 168 HG3 GLU 32 HG1 GLU 32 -6.339 -0.493 -9.827 169 H ALA 33 HN ALA 33 -5.262 -4.621 -8.336 170 HA ALA 33 HA ALA 33 -5.228 -3.037 -5.978 171 HB1 ALA 33 HB3 ALA 33 -4.747 -5.269 -4.865 172 HB2 ALA 33 HB1 ALA 33 -4.833 -5.974 -6.479 173 HB3 ALA 33 HB2 ALA 33 -6.239 -5.156 -5.799 174 H LEU 34 HN LEU 34 -2.749 -4.684 -7.852 175 HA LEU 34 HA LEU 34 -0.641 -4.520 -6.017 176 HG LEU 34 HG LEU 34 1.689 -3.947 -7.800 177 HB2 LEU 34 HB2 LEU 34 -0.628 -5.855 -8.112 178 HB3 LEU 34 HB1 LEU 34 -0.472 -4.368 -9.027 179 HD11 LEU 34 HD11 LEU 34 1.857 -5.201 -5.930 180 HD12 LEU 34 HD12 LEU 34 2.593 -6.354 -7.043 181 HD13 LEU 34 HD13 LEU 34 0.895 -6.521 -6.595 182 HD21 LEU 34 HD23 LEU 34 2.752 -6.081 -9.041 183 HD22 LEU 34 HD21 LEU 34 2.200 -4.636 -9.889 184 HD23 LEU 34 HD22 LEU 34 1.157 -6.055 -9.795 185 H GLN 35 HN GLN 35 -1.497 -2.311 -8.679 186 HA GLN 35 HA GLN 35 0.497 -0.403 -8.133 187 HB2 GLN 35 HB2 GLN 35 -0.827 1.110 -9.543 188 HB3 GLN 35 HB1 GLN 35 -0.674 -0.483 -10.270 189 HG2 GLN 35 HG2 GLN 35 -2.901 -1.038 -9.791 190 HG3 GLN 35 HG1 GLN 35 -3.073 0.297 -8.652 191 HE21 GLN 35 HE21 GLN 35 -2.294 2.460 -9.898 192 HE22 GLN 35 HE22 GLN 35 -3.189 2.742 -11.340 193 H LEU 36 HN LEU 36 -2.699 -0.907 -6.816 194 HA LEU 36 HA LEU 36 -2.885 1.639 -5.527 195 HG LEU 36 HG LEU 36 -4.740 0.489 -7.266 196 HB2 LEU 36 HB2 LEU 36 -4.387 -0.944 -5.116 197 HB3 LEU 36 HB1 LEU 36 -4.764 0.545 -4.271 198 HD11 LEU 36 HD11 LEU 36 -7.326 0.077 -5.916 199 HD12 LEU 36 HD12 LEU 36 -6.248 -1.317 -5.968 200 HD13 LEU 36 HD13 LEU 36 -6.741 -0.528 -7.466 201 HD21 LEU 36 HD23 LEU 36 -6.322 2.303 -7.007 202 HD22 LEU 36 HD21 LEU 36 -4.867 2.638 -6.069 203 HD23 LEU 36 HD22 LEU 36 -6.330 2.080 -5.258 204 H TYR 37 HN TYR 37 -1.833 -1.586 -4.571 205 HA TYR 37 HA TYR 37 -1.592 -1.145 -1.816 206 HD1 TYR 37 HD1 TYR 37 -2.441 -2.667 -0.763 207 HD2 TYR 37 HD2 TYR 37 -1.307 -4.991 -4.141 208 HE1 TYR 37 HE1 TYR 37 -4.338 -4.177 -0.353 209 HE2 TYR 37 HE2 TYR 37 -3.201 -6.507 -3.741 210 HH TYR 37 HH TYR 37 -5.642 -6.098 -2.430 211 HB2 TYR 37 HB2 TYR 37 -0.177 -3.014 -3.708 212 HB3 TYR 37 HB1 TYR 37 0.180 -2.996 -1.984 213 H GLN 38 HN GLN 38 0.739 -0.673 -4.445 214 HA GLN 38 HA GLN 38 2.889 0.133 -2.791 215 HB2 GLN 38 HB2 GLN 38 2.333 0.694 -5.709 216 HB3 GLN 38 HB1 GLN 38 3.854 1.050 -4.902 217 HG2 GLN 38 HG2 GLN 38 4.454 -1.152 -4.755 218 HG3 GLN 38 HG1 GLN 38 2.786 -1.722 -4.777 219 HE21 GLN 38 HE21 GLN 38 3.275 -3.233 -6.381 220 HE22 GLN 38 HE22 GLN 38 3.519 -2.769 -8.027 221 H HIS 39 HN HIS 39 0.276 1.881 -4.371 222 HA HIS 39 HA HIS 39 1.241 4.489 -3.970 223 HD1 HIS 39 HD1 HIS 39 -2.439 5.345 -6.412 224 HD2 HIS 39 HD2 HIS 39 1.595 4.373 -6.189 225 HE1 HIS 39 HE1 HIS 39 -1.454 6.056 -8.613 226 HE2 HIS 39 HE2 HIS 39 0.970 5.379 -8.489 227 HB2 HIS 39 HB2 HIS 39 -1.407 3.265 -4.545 228 HB3 HIS 39 HB1 HIS 39 -1.404 4.913 -3.926 229 H ALA 40 HN ALA 40 -0.835 2.429 -1.966 230 HA ALA 40 HA ALA 40 -1.427 4.275 0.040 231 HB1 ALA 40 HB3 ALA 40 -2.312 2.521 1.212 232 HB2 ALA 40 HB1 ALA 40 -1.005 1.422 0.773 233 HB3 ALA 40 HB2 ALA 40 -2.258 1.816 -0.404 234 H VAL 41 HN VAL 41 1.274 1.983 -0.213 235 HA VAL 41 HA VAL 41 2.456 2.586 2.269 236 HB VAL 41 HB VAL 41 3.892 1.655 -0.220 237 HG11 VAL 41 HG11 VAL 41 4.538 1.407 2.714 238 HG12 VAL 41 HG12 VAL 41 5.417 2.346 1.508 239 HG13 VAL 41 HG13 VAL 41 5.412 0.585 1.422 240 HG21 VAL 41 HG23 VAL 41 3.093 -0.335 1.785 241 HG22 VAL 41 HG21 VAL 41 3.073 -0.424 0.024 242 HG23 VAL 41 HG22 VAL 41 1.760 0.382 0.882 243 H GLN 42 HN GLN 42 2.896 3.966 -0.955 244 HA GLN 42 HA GLN 42 5.103 5.596 -0.399 245 HB2 GLN 42 HB2 GLN 42 2.939 5.595 -2.447 246 HB3 GLN 42 HB1 GLN 42 3.910 7.051 -2.283 247 HG2 GLN 42 HG2 GLN 42 5.193 4.366 -2.595 248 HG3 GLN 42 HG1 GLN 42 4.623 5.279 -3.992 249 HE21 GLN 42 HE21 GLN 42 5.996 6.645 -4.881 250 HE22 GLN 42 HE22 GLN 42 7.418 7.285 -4.137 251 H TYR 43 HN TYR 43 1.625 6.282 -0.184 252 HA TYR 43 HA TYR 43 1.982 8.962 0.720 253 HD1 TYR 43 HD1 TYR 43 0.620 10.358 -0.706 254 HD2 TYR 43 HD2 TYR 43 -1.157 6.528 -1.224 255 HE1 TYR 43 HE1 TYR 43 0.186 10.886 -3.068 256 HE2 TYR 43 HE2 TYR 43 -1.595 7.044 -3.587 257 HH TYR 43 HH TYR 43 -1.287 10.194 -4.869 258 HB2 TYR 43 HB2 TYR 43 -0.418 7.127 0.871 259 HB3 TYR 43 HB1 TYR 43 -0.445 8.845 1.257 260 H PHE 44 HN PHE 44 1.733 5.850 2.281 261 HA PHE 44 HA PHE 44 1.223 6.835 4.904 262 HD1 PHE 44 HD1 PHE 44 -0.195 6.021 6.063 263 HD2 PHE 44 HD2 PHE 44 0.351 2.750 3.397 264 HE1 PHE 44 HE1 PHE 44 -2.580 5.454 6.277 265 HE2 PHE 44 HE2 PHE 44 -2.033 2.178 3.604 266 HZ PHE 44 HZ PHE 44 -3.502 3.531 5.046 267 HB2 PHE 44 HB2 PHE 44 2.099 4.207 3.761 268 HB3 PHE 44 HB1 PHE 44 2.190 4.473 5.499 269 H LEU 45 HN LEU 45 4.167 5.652 3.291 270 HA LEU 45 HA LEU 45 5.925 6.081 5.428 271 HG LEU 45 HG LEU 45 7.727 4.393 4.701 272 HB2 LEU 45 HB2 LEU 45 6.210 5.765 2.483 273 HB3 LEU 45 HB1 LEU 45 7.587 6.388 3.371 274 HD11 LEU 45 HD11 LEU 45 5.251 4.052 4.852 275 HD12 LEU 45 HD12 LEU 45 6.188 2.583 4.577 276 HD13 LEU 45 HD13 LEU 45 5.316 3.336 3.241 277 HD21 LEU 45 HD23 LEU 45 8.197 2.732 2.980 278 HD22 LEU 45 HD21 LEU 45 8.778 4.326 2.496 279 HD23 LEU 45 HD22 LEU 45 7.290 3.682 1.803 280 H HIS 46 HN HIS 46 4.639 8.256 3.016 281 HA HIS 46 HA HIS 46 6.487 10.370 3.404 282 HD1 HIS 46 HD1 HIS 46 6.593 12.231 0.931 283 HD2 HIS 46 HD2 HIS 46 3.195 13.140 3.143 284 HE1 HIS 46 HE1 HIS 46 6.420 14.739 0.896 285 HE2 HIS 46 HE2 HIS 46 4.308 15.261 2.167 286 HB2 HIS 46 HB2 HIS 46 5.050 10.200 1.410 287 HB3 HIS 46 HB1 HIS 46 3.630 10.483 2.411 288 H VAL 47 HN VAL 47 3.367 9.577 4.859 289 HA VAL 47 HA VAL 47 3.250 11.966 6.438 290 HB VAL 47 HB VAL 47 1.708 9.403 6.855 291 HG11 VAL 47 HG11 VAL 47 1.862 11.526 8.517 292 HG12 VAL 47 HG12 VAL 47 0.440 10.495 8.363 293 HG13 VAL 47 HG13 VAL 47 0.522 12.022 7.484 294 HG21 VAL 47 HG23 VAL 47 1.661 10.860 4.561 295 HG22 VAL 47 HG21 VAL 47 0.387 11.644 5.495 296 HG23 VAL 47 HG22 VAL 47 0.307 9.912 5.173 297 H VAL 48 HN VAL 48 4.114 8.584 7.049 298 HA VAL 48 HA VAL 48 4.522 8.816 9.822 299 HB VAL 48 HB VAL 48 5.961 6.928 7.955 300 HG11 VAL 48 HG11 VAL 48 5.619 7.109 10.900 301 HG12 VAL 48 HG12 VAL 48 7.009 6.583 9.951 302 HG13 VAL 48 HG13 VAL 48 5.629 5.506 10.164 303 HG21 VAL 48 HG23 VAL 48 3.255 7.145 8.137 304 HG22 VAL 48 HG21 VAL 48 3.596 5.957 9.394 305 HG23 VAL 48 HG22 VAL 48 4.119 5.661 7.736 306 H LYS 49 HN LYS 49 6.630 9.416 7.070 307 HA LYS 49 HA LYS 49 8.981 9.798 8.675 308 HB2 LYS 49 HB2 LYS 49 9.135 9.018 6.351 309 HB3 LYS 49 HB1 LYS 49 8.437 10.532 5.792 310 HG2 LYS 49 HG2 LYS 49 10.513 11.487 7.197 311 HG3 LYS 49 HG1 LYS 49 11.172 9.926 6.703 312 HD2 LYS 49 HD2 LYS 49 11.298 10.524 4.531 313 HD3 LYS 49 HD1 LYS 49 9.787 11.433 4.589 314 HE2 LYS 49 HE2 LYS 49 12.022 12.589 6.117 315 HE3 LYS 49 HE1 LYS 49 12.238 12.559 4.367 316 HZ1 LYS 49 HZ3 LYS 49 9.740 13.584 5.557 317 HZ2 LYS 49 HZ1 LYS 49 10.406 13.913 4.036 318 HZ3 LYS 49 HZ2 LYS 49 11.102 14.578 5.427 319 H TYR 50 HN TYR 50 6.707 11.920 6.968 320 HA TYR 50 HA TYR 50 8.000 14.340 7.673 321 HD1 TYR 50 HD1 TYR 50 7.511 12.864 5.062 322 HD2 TYR 50 HD2 TYR 50 6.001 16.805 5.592 323 HE1 TYR 50 HE1 TYR 50 8.540 13.537 2.932 324 HE2 TYR 50 HE2 TYR 50 7.024 17.490 3.463 325 HH TYR 50 HH TYR 50 8.328 15.225 1.237 326 HB2 TYR 50 HB2 TYR 50 5.323 13.602 6.572 327 HB3 TYR 50 HB1 TYR 50 5.551 15.230 7.204 328 H GLU 51 HN GLU 51 4.761 13.343 8.758 329 HA GLU 51 HA GLU 51 5.404 13.618 11.529 330 HB2 GLU 51 HB2 GLU 51 3.733 15.526 11.861 331 HB3 GLU 51 HB1 GLU 51 5.315 15.947 11.219 332 HG2 GLU 51 HG2 GLU 51 4.482 16.634 9.256 333 HG3 GLU 51 HG1 GLU 51 3.285 15.341 9.192 334 H ALA 52 HN ALA 52 4.431 11.641 11.800 335 HA ALA 52 HA ALA 52 1.940 10.886 10.736 336 HB1 ALA 52 HB3 ALA 52 2.093 9.308 12.895 337 HB2 ALA 52 HB1 ALA 52 3.771 9.842 12.806 338 HB3 ALA 52 HB2 ALA 52 3.031 9.028 11.428 339 H GLN 53 HN GLN 53 0.256 10.030 12.577 340 HA GLN 53 HA GLN 53 -0.873 12.473 13.625 341 HB2 GLN 53 HB2 GLN 53 -1.961 9.682 13.974 342 HB3 GLN 53 HB1 GLN 53 -2.843 11.201 14.052 343 HG2 GLN 53 HG2 GLN 53 -1.536 10.108 11.572 344 HG3 GLN 53 HG1 GLN 53 -3.242 9.923 11.977 345 HE21 GLN 53 HE21 GLN 53 -1.396 11.503 9.968 346 HE22 GLN 53 HE22 GLN 53 -2.193 13.033 9.881 347 H GLY 54 HN GLY 54 0.182 9.351 14.976 348 HA2 GLY 54 HA2 GLY 54 1.139 10.620 17.364 349 HA3 GLY 54 HA1 GLY 54 -0.351 9.728 17.636 350 H ASP 55 HN ASP 55 1.402 8.722 19.135 351 HA ASP 55 HA ASP 55 3.353 7.002 18.080 352 HB2 ASP 55 HB2 ASP 55 3.145 5.838 20.332 353 HB3 ASP 55 HB1 ASP 55 3.512 7.559 20.382 354 H LYS 56 HN LYS 56 0.032 6.321 19.163 355 HA LYS 56 HA LYS 56 0.093 3.576 18.471 356 HB2 LYS 56 HB2 LYS 56 -1.517 4.503 20.077 357 HB3 LYS 56 HB1 LYS 56 -2.276 5.429 18.789 358 HG2 LYS 56 HG2 LYS 56 -2.458 2.973 17.733 359 HG3 LYS 56 HG1 LYS 56 -2.494 2.564 19.450 360 HD2 LYS 56 HD2 LYS 56 -4.241 4.555 19.510 361 HD3 LYS 56 HD1 LYS 56 -4.444 4.104 17.815 362 HE2 LYS 56 HE2 LYS 56 -4.516 1.670 18.974 363 HE3 LYS 56 HE1 LYS 56 -5.191 2.653 20.273 364 HZ1 LYS 56 HZ3 LYS 56 -6.945 1.856 18.862 365 HZ2 LYS 56 HZ1 LYS 56 -6.196 2.490 17.483 366 HZ3 LYS 56 HZ2 LYS 56 -6.810 3.531 18.666 367 H ALA 57 HN ALA 57 -0.674 6.488 16.700 368 HA ALA 57 HA ALA 57 -1.956 5.223 14.499 369 HB1 ALA 57 HB3 ALA 57 -0.557 7.768 14.003 370 HB2 ALA 57 HB1 ALA 57 -1.745 7.785 15.306 371 HB3 ALA 57 HB2 ALA 57 -2.227 7.306 13.679 372 H LYS 58 HN LYS 58 1.366 6.319 15.088 373 HA LYS 58 HA LYS 58 2.414 5.736 12.560 374 HB2 LYS 58 HB2 LYS 58 3.751 5.726 15.270 375 HB3 LYS 58 HB1 LYS 58 4.616 5.625 13.742 376 HG2 LYS 58 HG2 LYS 58 4.180 7.811 13.190 377 HG3 LYS 58 HG1 LYS 58 2.737 7.891 14.203 378 HD2 LYS 58 HD2 LYS 58 4.364 7.605 16.177 379 HD3 LYS 58 HD1 LYS 58 5.621 8.039 15.017 380 HE2 LYS 58 HE2 LYS 58 3.236 9.784 15.104 381 HE3 LYS 58 HE1 LYS 58 4.304 9.839 16.506 382 HZ1 LYS 58 HZ3 LYS 58 4.704 11.379 14.451 383 HZ2 LYS 58 HZ1 LYS 58 5.495 10.017 13.834 384 HZ3 LYS 58 HZ2 LYS 58 6.010 10.707 15.290 385 H GLN 59 HN GLN 59 2.304 3.740 15.501 386 HA GLN 59 HA GLN 59 3.614 1.498 14.458 387 HB2 GLN 59 HB2 GLN 59 2.498 0.243 16.286 388 HB3 GLN 59 HB1 GLN 59 3.261 1.729 16.836 389 HG2 GLN 59 HG2 GLN 59 1.129 2.845 16.926 390 HG3 GLN 59 HG1 GLN 59 0.327 1.433 16.239 391 HE21 GLN 59 HE21 GLN 59 -0.734 0.295 17.678 392 HE22 GLN 59 HE22 GLN 59 -0.298 0.072 19.335 393 H SER 60 HN SER 60 0.283 2.551 14.227 394 HA SER 60 HA SER 60 -0.853 0.145 13.313 395 HG SER 60 HG SER 60 -3.028 0.392 13.122 396 HB2 SER 60 HB2 SER 60 -2.013 2.330 14.088 397 HB3 SER 60 HB1 SER 60 -1.817 2.851 12.414 398 H ILE 61 HN ILE 61 0.738 2.800 11.623 399 HA ILE 61 HA ILE 61 0.149 1.879 8.999 400 HB ILE 61 HB ILE 61 2.464 3.629 9.829 401 HG12 ILE 61 HG12 ILE 61 -0.370 4.408 9.105 402 HG13 ILE 61 HG11 ILE 61 0.352 4.525 10.706 403 HG21 ILE 61 HG21 ILE 61 1.016 3.244 7.216 404 HG22 ILE 61 HG22 ILE 61 2.698 2.859 7.578 405 HG23 ILE 61 HG23 ILE 61 2.170 4.541 7.526 406 HD11 ILE 61 HD13 ILE 61 0.196 6.646 9.308 407 HD12 ILE 61 HD11 ILE 61 1.515 5.967 8.354 408 HD13 ILE 61 HD12 ILE 61 1.744 6.285 10.074 409 H ARG 62 HN ARG 62 2.749 1.276 11.276 410 HA ARG 62 HA ARG 62 4.611 0.109 9.549 411 HE ARG 62 HE ARG 62 7.468 -1.374 13.288 412 HB2 ARG 62 HB2 ARG 62 4.057 -0.064 12.475 413 HB3 ARG 62 HB1 ARG 62 5.155 -1.241 11.767 414 HG2 ARG 62 HG2 ARG 62 6.495 0.645 10.859 415 HG3 ARG 62 HG1 ARG 62 5.445 1.754 11.743 416 HD2 ARG 62 HD2 ARG 62 7.251 1.473 13.179 417 HD3 ARG 62 HD1 ARG 62 6.054 0.342 13.808 418 HH11 ARG 62 HH11 ARG 62 8.466 1.462 11.515 419 HH12 ARG 62 HH12 ARG 62 9.912 0.728 10.910 420 HH21 ARG 62 HH21 ARG 62 9.371 -2.341 12.493 421 HH22 ARG 62 HH22 ARG 62 10.426 -1.431 11.465 422 H ALA 63 HN ALA 63 1.961 -1.366 11.395 423 HA ALA 63 HA ALA 63 2.470 -4.021 10.561 424 HB1 ALA 63 HB3 ALA 63 1.150 -4.001 12.425 425 HB2 ALA 63 HB1 ALA 63 -0.090 -4.203 11.187 426 HB3 ALA 63 HB2 ALA 63 0.212 -2.610 11.882 427 H LYS 64 HN LYS 64 0.519 -1.413 9.234 428 HA LYS 64 HA LYS 64 -0.741 -3.046 7.244 429 HB2 LYS 64 HB2 LYS 64 -0.504 -0.045 7.515 430 HB3 LYS 64 HB1 LYS 64 -1.475 -0.856 6.293 431 HG2 LYS 64 HG2 LYS 64 -2.456 -2.034 8.490 432 HG3 LYS 64 HG1 LYS 64 -1.975 -0.480 9.173 433 HD2 LYS 64 HD2 LYS 64 -3.645 -0.736 6.680 434 HD3 LYS 64 HD1 LYS 64 -4.341 -0.617 8.297 435 HE2 LYS 64 HE2 LYS 64 -2.971 1.507 8.563 436 HE3 LYS 64 HE1 LYS 64 -2.686 1.416 6.826 437 HZ1 LYS 64 HZ3 LYS 64 -5.265 1.218 6.753 438 HZ2 LYS 64 HZ1 LYS 64 -4.535 2.736 6.917 439 HZ3 LYS 64 HZ2 LYS 64 -5.183 1.958 8.272 440 H CYS 65 HN CYS 65 2.062 -0.919 7.365 441 HA CYS 65 HA CYS 65 2.602 -0.803 4.614 442 HG CYS 65 HG CYS 65 5.220 -0.374 4.021 443 HB2 CYS 65 HB2 CYS 65 3.668 0.685 6.253 444 HB3 CYS 65 HB1 CYS 65 4.543 -0.684 6.932 445 H THR 66 HN THR 66 3.293 -3.232 7.028 446 HA THR 66 HA THR 66 5.086 -4.713 5.315 447 HB THR 66 HB THR 66 5.390 -4.725 7.755 448 HG1 THR 66 HG1 THR 66 6.183 -6.525 6.785 449 HG21 THR 66 HG23 THR 66 3.286 -4.633 8.733 450 HG22 THR 66 HG21 THR 66 3.830 -6.281 9.047 451 HG23 THR 66 HG22 THR 66 2.669 -5.966 7.757 452 H GLU 67 HN GLU 67 1.703 -4.757 6.179 453 HA GLU 67 HA GLU 67 1.142 -7.345 5.119 454 HB2 GLU 67 HB2 GLU 67 -0.301 -6.289 6.800 455 HB3 GLU 67 HB1 GLU 67 -0.712 -5.017 5.658 456 HG2 GLU 67 HG2 GLU 67 -2.509 -6.589 5.751 457 HG3 GLU 67 HG1 GLU 67 -1.717 -6.724 4.181 458 H TYR 68 HN TYR 68 0.699 -4.040 3.892 459 HA TYR 68 HA TYR 68 -0.381 -4.846 1.392 460 HD1 TYR 68 HD1 TYR 68 -2.264 -4.058 1.723 461 HD2 TYR 68 HD2 TYR 68 -0.281 -0.679 3.381 462 HE1 TYR 68 HE1 TYR 68 -4.328 -3.433 2.903 463 HE2 TYR 68 HE2 TYR 68 -2.340 -0.045 4.567 464 HH TYR 68 HH TYR 68 -4.667 -1.830 5.297 465 HB2 TYR 68 HB2 TYR 68 0.958 -2.251 2.186 466 HB3 TYR 68 HB1 TYR 68 0.035 -2.505 0.708 467 H LEU 69 HN LEU 69 2.874 -3.982 2.477 468 HA LEU 69 HA LEU 69 4.141 -4.014 -0.020 469 HG LEU 69 HG LEU 69 4.755 -2.090 1.855 470 HB2 LEU 69 HB2 LEU 69 5.061 -4.399 2.797 471 HB3 LEU 69 HB1 LEU 69 6.175 -4.726 1.483 472 HD11 LEU 69 HD11 LEU 69 7.619 -2.716 2.530 473 HD12 LEU 69 HD12 LEU 69 6.321 -2.700 3.724 474 HD13 LEU 69 HD13 LEU 69 6.728 -1.226 2.845 475 HD21 LEU 69 HD23 LEU 69 7.278 -2.335 0.347 476 HD22 LEU 69 HD21 LEU 69 5.855 -1.342 0.030 477 HD23 LEU 69 HD22 LEU 69 5.852 -3.052 -0.402 478 H ASP 70 HN ASP 70 3.810 -6.605 2.399 479 HA ASP 70 HA ASP 70 5.154 -8.589 0.943 480 HB2 ASP 70 HB2 ASP 70 4.427 -8.605 3.409 481 HB3 ASP 70 HB1 ASP 70 2.864 -9.160 2.817 482 H ARG 71 HN ARG 71 1.691 -7.813 1.137 483 HA ARG 71 HA ARG 71 0.794 -9.856 -0.568 484 HE ARG 71 HE ARG 71 -3.947 -9.695 -1.560 485 HB2 ARG 71 HB2 ARG 71 -0.611 -8.415 0.965 486 HB3 ARG 71 HB1 ARG 71 -0.491 -7.145 -0.245 487 HG2 ARG 71 HG2 ARG 71 -1.799 -8.291 -1.770 488 HG3 ARG 71 HG1 ARG 71 -1.500 -9.853 -1.004 489 HD2 ARG 71 HD2 ARG 71 -2.838 -9.149 0.928 490 HD3 ARG 71 HD1 ARG 71 -3.148 -7.601 0.144 491 HH11 ARG 71 HH11 ARG 71 -4.887 -8.127 1.413 492 HH12 ARG 71 HH12 ARG 71 -6.567 -8.501 1.226 493 HH21 ARG 71 HH21 ARG 71 -6.157 -10.180 -1.808 494 HH22 ARG 71 HH22 ARG 71 -7.289 -9.671 -0.603 495 H ALA 72 HN ALA 72 1.664 -6.479 -1.238 496 HA ALA 72 HA ALA 72 1.113 -6.627 -4.023 497 HB1 ALA 72 HB3 ALA 72 1.680 -4.435 -4.092 498 HB2 ALA 72 HB1 ALA 72 3.095 -4.654 -3.062 499 HB3 ALA 72 HB2 ALA 72 1.486 -4.579 -2.345 500 H GLU 73 HN GLU 73 3.998 -7.122 -2.066 501 HA GLU 73 HA GLU 73 5.898 -7.195 -4.121 502 HB2 GLU 73 HB2 GLU 73 5.746 -8.246 -1.340 503 HB3 GLU 73 HB1 GLU 73 7.007 -8.889 -2.384 504 HG2 GLU 73 HG2 GLU 73 7.244 -6.208 -2.808 505 HG3 GLU 73 HG1 GLU 73 6.766 -6.271 -1.112 506 H LYS 74 HN LYS 74 3.858 -9.743 -2.758 507 HA LYS 74 HA LYS 74 4.988 -11.860 -4.270 508 HB2 LYS 74 HB2 LYS 74 3.570 -12.040 -2.158 509 HB3 LYS 74 HB1 LYS 74 2.172 -11.780 -3.194 510 HG2 LYS 74 HG2 LYS 74 4.045 -13.910 -4.016 511 HG3 LYS 74 HG1 LYS 74 3.100 -14.200 -2.554 512 HD2 LYS 74 HD2 LYS 74 1.104 -14.220 -3.682 513 HD3 LYS 74 HD1 LYS 74 1.697 -13.160 -4.964 514 HE2 LYS 74 HE2 LYS 74 2.518 -14.870 -6.184 515 HE3 LYS 74 HE1 LYS 74 3.012 -15.790 -4.759 516 HZ1 LYS 74 HZ3 LYS 74 1.276 -16.990 -5.765 517 HZ2 LYS 74 HZ1 LYS 74 0.307 -15.620 -5.956 518 HZ3 LYS 74 HZ2 LYS 74 0.583 -16.250 -4.412 519 H LEU 75 HN LEU 75 2.166 -9.774 -4.755 520 HA LEU 75 HA LEU 75 1.134 -11.010 -7.033 521 HG LEU 75 HG LEU 75 -0.980 -10.470 -6.676 522 HB2 LEU 75 HB2 LEU 75 0.915 -8.347 -5.781 523 HB3 LEU 75 HB1 LEU 75 0.495 -8.427 -7.482 524 HD11 LEU 75 HD11 LEU 75 -0.782 -8.757 -4.204 525 HD12 LEU 75 HD12 LEU 75 -0.198 -10.410 -4.367 526 HD13 LEU 75 HD13 LEU 75 -1.926 -10.070 -4.463 527 HD21 LEU 75 HD23 LEU 75 -1.698 -8.317 -7.746 528 HD22 LEU 75 HD21 LEU 75 -1.860 -7.644 -6.124 529 HD23 LEU 75 HD22 LEU 75 -2.859 -9.013 -6.615 530 H LYS 76 HN LYS 76 3.373 -8.254 -6.808 531 HA LYS 76 HA LYS 76 3.776 -7.953 -9.570 532 HB2 LYS 76 HB2 LYS 76 5.734 -6.635 -8.973 533 HB3 LYS 76 HB1 LYS 76 4.390 -6.240 -7.911 534 HG2 LYS 76 HG2 LYS 76 5.357 -7.288 -6.084 535 HG3 LYS 76 HG1 LYS 76 6.427 -8.268 -7.089 536 HD2 LYS 76 HD2 LYS 76 7.560 -6.115 -7.766 537 HD3 LYS 76 HD1 LYS 76 6.627 -5.322 -6.496 538 HE2 LYS 76 HE2 LYS 76 7.651 -7.398 -5.115 539 HE3 LYS 76 HE1 LYS 76 8.932 -7.153 -6.302 540 HZ1 LYS 76 HZ3 LYS 76 9.004 -4.806 -5.632 541 HZ2 LYS 76 HZ1 LYS 76 9.368 -5.848 -4.349 542 HZ3 LYS 76 HZ2 LYS 76 7.847 -5.112 -4.437 543 H GLU 77 HN GLU 77 5.129 -10.160 -7.252 544 HA GLU 77 HA GLU 77 7.463 -10.930 -8.573 545 HB2 GLU 77 HB2 GLU 77 6.357 -11.610 -6.232 546 HB3 GLU 77 HB1 GLU 77 5.889 -13.020 -7.167 547 HG2 GLU 77 HG2 GLU 77 8.698 -12.240 -7.456 548 HG3 GLU 77 HG1 GLU 77 8.230 -12.750 -5.835 549 H TYR 78 HN TYR 78 4.240 -12.460 -8.698 550 HA TYR 78 HA TYR 78 5.050 -14.140 -10.900 551 HD1 TYR 78 HD1 TYR 78 1.348 -13.860 -11.990 552 HD2 TYR 78 HD2 TYR 78 1.898 -13.380 -7.800 553 HE1 TYR 78 HE1 TYR 78 -0.838 -12.740 -11.830 554 HE2 TYR 78 HE2 TYR 78 -0.287 -12.270 -7.635 555 HH TYR 78 HH TYR 78 -1.831 -10.900 -9.913 556 HB2 TYR 78 HB2 TYR 78 3.006 -15.240 -10.650 557 HB3 TYR 78 HB1 TYR 78 3.390 -14.740 -9.019 558 H LEU 79 HN LEU 79 3.099 -11.250 -10.420 559 HA LEU 79 HA LEU 79 1.908 -11.110 -12.950 560 HG LEU 79 HG LEU 79 0.512 -10.510 -10.720 561 HB2 LEU 79 HB2 LEU 79 2.618 -9.084 -10.870 562 HB3 LEU 79 HB1 LEU 79 2.020 -8.549 -12.420 563 HD11 LEU 79 HD11 LEU 79 -0.470 -8.881 -9.510 564 HD12 LEU 79 HD12 LEU 79 -0.357 -7.697 -10.810 565 HD13 LEU 79 HD13 LEU 79 1.055 -8.051 -9.817 566 HD21 LEU 79 HD23 LEU 79 0.010 -10.300 -13.170 567 HD22 LEU 79 HD21 LEU 79 -0.470 -8.635 -12.850 568 HD23 LEU 79 HD22 LEU 79 -1.345 -9.964 -12.090 569 H LYS 80 HN LYS 80 5.048 -9.971 -11.800 570 HA LYS 80 HA LYS 80 5.714 -8.800 -14.360 571 HB2 LYS 80 HB2 LYS 80 6.486 -7.935 -12.090 572 HB3 LYS 80 HB1 LYS 80 7.598 -9.297 -12.060 573 HG2 LYS 80 HG2 LYS 80 8.967 -8.394 -13.610 574 HG3 LYS 80 HG1 LYS 80 7.646 -7.612 -14.480 575 HD2 LYS 80 HD2 LYS 80 8.176 -6.583 -11.770 576 HD3 LYS 80 HD1 LYS 80 9.446 -6.290 -12.960 577 HE2 LYS 80 HE2 LYS 80 6.553 -5.662 -13.490 578 HE3 LYS 80 HE1 LYS 80 7.651 -4.505 -12.740 579 HZ1 LYS 80 HZ3 LYS 80 7.285 -4.616 -15.340 580 HZ2 LYS 80 HZ1 LYS 80 8.530 -5.755 -15.220 581 HZ3 LYS 80 HZ2 LYS 80 8.772 -4.178 -14.660 582 H ASN 81 HN ASN 81 6.320 -11.760 -12.620 583 HA ASN 81 HA ASN 81 8.451 -12.700 -14.240 584 HB2 ASN 81 HB2 ASN 81 6.615 -13.910 -12.220 585 HB3 ASN 81 HB1 ASN 81 7.517 -14.990 -13.280 586 HD21 ASN 81 HD21 ASN 81 7.998 -15.190 -10.680 587 HD22 ASN 81 HD22 ASN 81 9.532 -14.510 -10.270 Start of MODEL 12 1 H ASN 10 HN ASN 10 -1.868 13.319 6.069 2 HA ASN 10 HA ASN 10 -1.444 11.893 3.550 3 HB2 ASN 10 HB2 ASN 10 0.762 11.270 4.631 4 HB3 ASN 10 HB1 ASN 10 0.528 12.986 4.316 5 HD21 ASN 10 HD21 ASN 10 1.587 14.005 5.867 6 HD22 ASN 10 HD22 ASN 10 1.417 13.713 7.562 7 H LEU 11 HN LEU 11 -2.219 11.363 6.914 8 HA LEU 11 HA LEU 11 -1.863 8.520 6.830 9 HG LEU 11 HG LEU 11 -3.582 7.558 8.792 10 HB2 LEU 11 HB2 LEU 11 -1.688 9.859 8.909 11 HB3 LEU 11 HB1 LEU 11 -3.405 10.200 8.808 12 HD11 LEU 11 HD11 LEU 11 -1.899 6.524 10.197 13 HD12 LEU 11 HD12 LEU 11 -1.021 8.050 10.304 14 HD13 LEU 11 HD13 LEU 11 -1.153 7.214 8.756 15 HD21 LEU 11 HD23 LEU 11 -2.969 8.603 11.481 16 HD22 LEU 11 HD21 LEU 11 -4.408 7.778 10.881 17 HD23 LEU 11 HD22 LEU 11 -4.176 9.496 10.555 18 H GLN 12 HN GLN 12 -4.572 10.742 6.467 19 HA GLN 12 HA GLN 12 -6.657 8.873 6.522 20 HB2 GLN 12 HB2 GLN 12 -6.927 11.353 6.613 21 HB3 GLN 12 HB1 GLN 12 -6.545 11.420 4.898 22 HG2 GLN 12 HG2 GLN 12 -8.728 9.598 5.682 23 HG3 GLN 12 HG1 GLN 12 -9.039 11.324 5.858 24 HE21 GLN 12 HE21 GLN 12 -10.370 9.591 4.069 25 HE22 GLN 12 HE22 GLN 12 -10.020 10.117 2.461 26 H LYS 13 HN LYS 13 -4.523 9.902 3.923 27 HA LYS 13 HA LYS 13 -5.950 8.495 1.873 28 HB2 LYS 13 HB2 LYS 13 -4.164 10.506 1.803 29 HB3 LYS 13 HB1 LYS 13 -3.085 9.155 1.483 30 HG2 LYS 13 HG2 LYS 13 -5.054 8.575 -0.243 31 HG3 LYS 13 HG1 LYS 13 -5.200 10.333 -0.195 32 HD2 LYS 13 HD2 LYS 13 -2.514 10.051 -0.411 33 HD3 LYS 13 HD1 LYS 13 -3.068 8.637 -1.310 34 HE2 LYS 13 HE2 LYS 13 -3.183 10.086 -3.029 35 HE3 LYS 13 HE1 LYS 13 -4.724 10.528 -2.297 36 HZ1 LYS 13 HZ3 LYS 13 -3.870 12.459 -1.444 37 HZ2 LYS 13 HZ1 LYS 13 -2.984 12.345 -2.881 38 HZ3 LYS 13 HZ2 LYS 13 -2.277 11.891 -1.413 39 H ALA 14 HN ALA 14 -3.213 7.816 3.968 40 HA ALA 14 HA ALA 14 -2.228 5.530 2.688 41 HB1 ALA 14 HB3 ALA 14 -1.265 6.887 4.670 42 HB2 ALA 14 HB1 ALA 14 -0.970 5.150 4.598 43 HB3 ALA 14 HB2 ALA 14 -2.216 5.789 5.670 44 H ILE 15 HN ILE 15 -4.841 5.936 5.023 45 HA ILE 15 HA ILE 15 -5.303 3.117 5.317 46 HB ILE 15 HB ILE 15 -7.193 5.357 6.034 47 HG12 ILE 15 HG12 ILE 15 -5.177 4.080 7.880 48 HG13 ILE 15 HG11 ILE 15 -4.827 5.555 6.985 49 HG21 ILE 15 HG21 ILE 15 -8.215 3.821 7.507 50 HG22 ILE 15 HG22 ILE 15 -6.905 2.656 7.322 51 HG23 ILE 15 HG23 ILE 15 -8.008 2.962 5.981 52 HD11 ILE 15 HD13 ILE 15 -6.315 6.806 8.211 53 HD12 ILE 15 HD11 ILE 15 -5.695 5.685 9.423 54 HD13 ILE 15 HD12 ILE 15 -7.271 5.402 8.684 55 H ASP 16 HN ASP 16 -6.604 5.712 3.347 56 HA ASP 16 HA ASP 16 -8.876 4.313 2.389 57 HB2 ASP 16 HB2 ASP 16 -8.326 6.852 2.292 58 HB3 ASP 16 HB1 ASP 16 -7.470 6.446 0.807 59 H LEU 17 HN LEU 17 -5.660 4.889 0.978 60 HA LEU 17 HA LEU 17 -6.080 3.429 -1.384 61 HG LEU 17 HG LEU 17 -4.991 5.894 -1.126 62 HB2 LEU 17 HB2 LEU 17 -3.551 4.059 0.132 63 HB3 LEU 17 HB1 LEU 17 -3.566 3.295 -1.446 64 HD11 LEU 17 HD11 LEU 17 -2.080 5.480 -0.837 65 HD12 LEU 17 HD12 LEU 17 -3.113 6.767 -0.217 66 HD13 LEU 17 HD13 LEU 17 -2.596 6.786 -1.903 67 HD21 LEU 17 HD23 LEU 17 -4.603 6.120 -3.402 68 HD22 LEU 17 HD21 LEU 17 -4.869 4.386 -3.220 69 HD23 LEU 17 HD22 LEU 17 -3.229 5.014 -3.380 70 H ALA 18 HN ALA 18 -4.946 2.459 1.807 71 HA ALA 18 HA ALA 18 -4.068 -0.124 1.182 72 HB1 ALA 18 HB3 ALA 18 -4.915 -0.467 3.701 73 HB2 ALA 18 HB1 ALA 18 -4.893 1.296 3.638 74 HB3 ALA 18 HB2 ALA 18 -3.425 0.383 3.291 75 H SER 19 HN SER 19 -7.273 1.052 2.142 76 HA SER 19 HA SER 19 -8.501 -1.507 2.172 77 HG SER 19 HG SER 19 -9.917 0.798 4.204 78 HB2 SER 19 HB2 SER 19 -9.474 1.321 2.209 79 HB3 SER 19 HB1 SER 19 -10.620 0.034 1.862 80 H LYS 20 HN LYS 20 -8.286 1.058 -0.260 81 HA LYS 20 HA LYS 20 -9.963 -0.142 -2.175 82 HB2 LYS 20 HB2 LYS 20 -7.768 1.904 -2.337 83 HB3 LYS 20 HB1 LYS 20 -8.562 1.316 -3.792 84 HG2 LYS 20 HG2 LYS 20 -10.320 2.233 -1.609 85 HG3 LYS 20 HG1 LYS 20 -9.380 3.469 -2.441 86 HD2 LYS 20 HD2 LYS 20 -10.760 1.480 -4.139 87 HD3 LYS 20 HD1 LYS 20 -11.780 2.648 -3.293 88 HE2 LYS 20 HE2 LYS 20 -11.010 4.400 -4.511 89 HE3 LYS 20 HE1 LYS 20 -9.396 3.724 -4.663 90 HZ1 LYS 20 HZ3 LYS 20 -10.760 3.846 -6.759 91 HZ2 LYS 20 HZ1 LYS 20 -11.720 2.608 -6.118 92 HZ3 LYS 20 HZ2 LYS 20 -10.070 2.339 -6.414 93 H ALA 21 HN ALA 21 -6.475 -0.352 -1.626 94 HA ALA 21 HA ALA 21 -5.797 -1.824 -3.907 95 HB1 ALA 21 HB3 ALA 21 -4.433 -2.145 -1.249 96 HB2 ALA 21 HB1 ALA 21 -4.245 -0.696 -2.237 97 HB3 ALA 21 HB2 ALA 21 -3.735 -2.264 -2.864 98 H ALA 22 HN ALA 22 -6.707 -2.928 -0.654 99 HA ALA 22 HA ALA 22 -6.413 -5.675 -1.101 100 HB1 ALA 22 HB3 ALA 22 -6.628 -4.914 1.133 101 HB2 ALA 22 HB1 ALA 22 -8.050 -5.905 0.803 102 HB3 ALA 22 HB2 ALA 22 -8.179 -4.146 0.796 103 H GLN 23 HN GLN 23 -8.994 -3.468 -1.919 104 HA GLN 23 HA GLN 23 -10.900 -5.521 -2.533 105 HB2 GLN 23 HB2 GLN 23 -10.790 -2.548 -2.903 106 HB3 GLN 23 HB1 GLN 23 -12.030 -3.488 -3.726 107 HG2 GLN 23 HG2 GLN 23 -12.230 -4.434 -1.185 108 HG3 GLN 23 HG1 GLN 23 -11.780 -2.751 -0.907 109 HE21 GLN 23 HE21 GLN 23 -14.280 -4.069 -0.316 110 HE22 GLN 23 HE22 GLN 23 -15.500 -3.229 -1.199 111 H GLU 24 HN GLU 24 -8.485 -3.704 -4.286 112 HA GLU 24 HA GLU 24 -9.385 -4.361 -6.898 113 HB2 GLU 24 HB2 GLU 24 -6.714 -3.449 -5.833 114 HB3 GLU 24 HB1 GLU 24 -7.011 -3.731 -7.543 115 HG2 GLU 24 HG2 GLU 24 -8.382 -1.718 -5.778 116 HG3 GLU 24 HG1 GLU 24 -7.224 -1.390 -7.066 117 H ASP 25 HN ASP 25 -6.745 -5.670 -4.892 118 HA ASP 25 HA ASP 25 -6.017 -7.720 -6.681 119 HB2 ASP 25 HB2 ASP 25 -4.612 -6.886 -4.786 120 HB3 ASP 25 HB1 ASP 25 -5.690 -7.723 -3.674 121 H LYS 26 HN LYS 26 -8.467 -7.512 -4.199 122 HA LYS 26 HA LYS 26 -9.021 -10.310 -4.103 123 HB2 LYS 26 HB2 LYS 26 -10.250 -7.844 -2.994 124 HB3 LYS 26 HB1 LYS 26 -11.260 -9.278 -3.104 125 HG2 LYS 26 HG2 LYS 26 -9.103 -10.350 -1.959 126 HG3 LYS 26 HG1 LYS 26 -8.966 -8.708 -1.350 127 HD2 LYS 26 HD2 LYS 26 -10.230 -10.050 0.210 128 HD3 LYS 26 HD1 LYS 26 -11.290 -8.849 -0.539 129 HE2 LYS 26 HE2 LYS 26 -12.420 -10.420 -1.789 130 HE3 LYS 26 HE1 LYS 26 -11.070 -11.560 -1.753 131 HZ1 LYS 26 HZ3 LYS 26 -12.540 -10.870 0.715 132 HZ2 LYS 26 HZ1 LYS 26 -11.620 -12.250 0.377 133 HZ3 LYS 26 HZ2 LYS 26 -13.130 -12.050 -0.340 134 H ALA 27 HN ALA 27 -10.090 -7.642 -6.057 135 HA ALA 27 HA ALA 27 -12.240 -9.241 -7.224 136 HB1 ALA 27 HB3 ALA 27 -13.240 -7.311 -7.832 137 HB2 ALA 27 HB1 ALA 27 -11.720 -6.536 -8.270 138 HB3 ALA 27 HB2 ALA 27 -12.200 -6.632 -6.577 139 H GLY 28 HN GLY 28 -9.299 -9.719 -7.658 140 HA2 GLY 28 HA2 GLY 28 -8.346 -10.780 -9.534 141 HA3 GLY 28 HA1 GLY 28 -9.483 -9.929 -10.560 142 H ASN 29 HN ASN 29 -9.011 -7.306 -9.618 143 HA ASN 29 HA ASN 29 -6.883 -6.519 -11.230 144 HB2 ASN 29 HB2 ASN 29 -8.418 -5.137 -9.054 145 HB3 ASN 29 HB1 ASN 29 -7.067 -4.334 -9.849 146 HD21 ASN 29 HD21 ASN 29 -8.791 -2.813 -10.430 147 HD22 ASN 29 HD22 ASN 29 -9.711 -3.123 -11.860 148 H TYR 30 HN TYR 30 -4.978 -7.578 -10.780 149 HA TYR 30 HA TYR 30 -3.853 -7.428 -8.109 150 HD1 TYR 30 HD1 TYR 30 -5.409 -9.345 -8.540 151 HD2 TYR 30 HD2 TYR 30 -1.372 -10.680 -8.611 152 HE1 TYR 30 HE1 TYR 30 -6.017 -11.230 -7.088 153 HE2 TYR 30 HE2 TYR 30 -1.970 -12.580 -7.160 154 HH TYR 30 HH TYR 30 -4.752 -12.740 -5.409 155 HB2 TYR 30 HB2 TYR 30 -3.277 -8.968 -10.570 156 HB3 TYR 30 HB1 TYR 30 -1.902 -8.607 -9.540 157 H GLU 31 HN GLU 31 -3.128 -6.283 -11.380 158 HA GLU 31 HA GLU 31 -0.705 -5.003 -10.810 159 HB2 GLU 31 HB2 GLU 31 -2.800 -4.341 -12.880 160 HB3 GLU 31 HB1 GLU 31 -1.182 -3.656 -12.850 161 HG2 GLU 31 HG2 GLU 31 -0.180 -5.720 -13.340 162 HG3 GLU 31 HG1 GLU 31 -1.653 -6.614 -12.970 163 H GLU 32 HN GLU 32 -3.978 -3.603 -11.020 164 HA GLU 32 HA GLU 32 -3.275 -1.017 -10.210 165 HB2 GLU 32 HB2 GLU 32 -5.484 -1.898 -11.230 166 HB3 GLU 32 HB1 GLU 32 -5.938 -2.254 -9.572 167 HG2 GLU 32 HG2 GLU 32 -6.799 -0.186 -9.651 168 HG3 GLU 32 HG1 GLU 32 -5.140 0.294 -9.293 169 H ALA 33 HN ALA 33 -3.963 -3.909 -8.380 170 HA ALA 33 HA ALA 33 -4.281 -2.635 -5.856 171 HB1 ALA 33 HB3 ALA 33 -5.094 -4.932 -6.444 172 HB2 ALA 33 HB1 ALA 33 -4.225 -4.820 -4.914 173 HB3 ALA 33 HB2 ALA 33 -3.421 -5.480 -6.338 174 H LEU 34 HN LEU 34 -1.538 -4.003 -7.593 175 HA LEU 34 HA LEU 34 0.336 -3.974 -5.514 176 HG LEU 34 HG LEU 34 2.825 -3.025 -7.186 177 HB2 LEU 34 HB2 LEU 34 0.689 -5.107 -7.666 178 HB3 LEU 34 HB1 LEU 34 0.793 -3.552 -8.468 179 HD11 LEU 34 HD11 LEU 34 2.140 -5.595 -5.871 180 HD12 LEU 34 HD12 LEU 34 2.822 -4.118 -5.189 181 HD13 LEU 34 HD13 LEU 34 3.845 -5.218 -6.114 182 HD21 LEU 34 HD23 LEU 34 3.307 -5.715 -8.380 183 HD22 LEU 34 HD21 LEU 34 4.244 -4.230 -8.536 184 HD23 LEU 34 HD22 LEU 34 2.717 -4.405 -9.402 185 H GLN 35 HN GLN 35 -0.524 -1.480 -7.883 186 HA GLN 35 HA GLN 35 1.405 0.409 -7.053 187 HB2 GLN 35 HB2 GLN 35 -1.075 0.480 -8.701 188 HB3 GLN 35 HB1 GLN 35 -0.441 2.010 -8.112 189 HG2 GLN 35 HG2 GLN 35 1.466 0.155 -9.412 190 HG3 GLN 35 HG1 GLN 35 0.279 0.961 -10.430 191 HE21 GLN 35 HE21 GLN 35 1.587 2.352 -11.480 192 HE22 GLN 35 HE22 GLN 35 2.495 3.606 -10.710 193 H LEU 36 HN LEU 36 -1.868 -0.298 -5.997 194 HA LEU 36 HA LEU 36 -2.112 2.022 -4.340 195 HG LEU 36 HG LEU 36 -3.769 0.983 -6.424 196 HB2 LEU 36 HB2 LEU 36 -3.671 -0.563 -4.304 197 HB3 LEU 36 HB1 LEU 36 -4.117 0.905 -3.456 198 HD11 LEU 36 HD11 LEU 36 -5.196 -0.895 -6.221 199 HD12 LEU 36 HD12 LEU 36 -6.231 0.486 -6.584 200 HD13 LEU 36 HD13 LEU 36 -6.132 -0.132 -4.935 201 HD21 LEU 36 HD23 LEU 36 -5.815 2.562 -5.947 202 HD22 LEU 36 HD21 LEU 36 -4.162 3.108 -5.663 203 HD23 LEU 36 HD22 LEU 36 -5.154 2.559 -4.312 204 H TYR 37 HN TYR 37 -1.192 -1.345 -3.830 205 HA TYR 37 HA TYR 37 -1.116 -1.326 -1.030 206 HD1 TYR 37 HD1 TYR 37 -2.267 -2.870 -0.499 207 HD2 TYR 37 HD2 TYR 37 -0.621 -4.843 -3.889 208 HE1 TYR 37 HE1 TYR 37 -4.245 -4.326 -0.603 209 HE2 TYR 37 HE2 TYR 37 -2.595 -6.305 -4.004 210 HH TYR 37 HH TYR 37 -4.372 -7.137 -2.281 211 HB2 TYR 37 HB2 TYR 37 0.434 -2.936 -3.060 212 HB3 TYR 37 HB1 TYR 37 0.549 -3.218 -1.326 213 H GLN 38 HN GLN 38 1.413 -0.600 -3.413 214 HA GLN 38 HA GLN 38 3.469 -0.118 -1.542 215 HB2 GLN 38 HB2 GLN 38 3.061 0.748 -4.398 216 HB3 GLN 38 HB1 GLN 38 4.493 1.197 -3.482 217 HG2 GLN 38 HG2 GLN 38 5.203 -1.036 -3.296 218 HG3 GLN 38 HG1 GLN 38 3.636 -1.659 -3.812 219 HE21 GLN 38 HE21 GLN 38 5.567 -2.742 -5.120 220 HE22 GLN 38 HE22 GLN 38 5.790 -2.069 -6.696 221 H HIS 39 HN HIS 39 1.045 1.973 -3.018 222 HA HIS 39 HA HIS 39 2.049 4.442 -2.158 223 HD1 HIS 39 HD1 HIS 39 -1.467 5.764 -4.644 224 HD2 HIS 39 HD2 HIS 39 2.527 4.662 -4.335 225 HE1 HIS 39 HE1 HIS 39 -0.339 6.754 -6.661 226 HE2 HIS 39 HE2 HIS 39 2.093 6.148 -6.407 227 HB2 HIS 39 HB2 HIS 39 -0.601 3.421 -3.040 228 HB3 HIS 39 HB1 HIS 39 -0.577 4.960 -2.184 229 H ALA 40 HN ALA 40 -0.272 2.241 -0.613 230 HA ALA 40 HA ALA 40 -0.859 3.790 1.629 231 HB1 ALA 40 HB3 ALA 40 -0.682 0.793 1.707 232 HB2 ALA 40 HB1 ALA 40 -1.970 1.635 0.845 233 HB3 ALA 40 HB2 ALA 40 -1.783 1.856 2.585 234 H VAL 41 HN VAL 41 1.704 1.383 1.143 235 HA VAL 41 HA VAL 41 2.761 1.488 3.750 236 HB VAL 41 HB VAL 41 4.291 0.874 1.219 237 HG11 VAL 41 HG11 VAL 41 5.741 1.166 3.118 238 HG12 VAL 41 HG12 VAL 41 5.637 -0.552 2.736 239 HG13 VAL 41 HG13 VAL 41 4.733 0.104 4.101 240 HG21 VAL 41 HG23 VAL 41 2.019 -0.406 1.980 241 HG22 VAL 41 HG21 VAL 41 3.246 -1.353 2.822 242 HG23 VAL 41 HG22 VAL 41 3.332 -1.154 1.072 243 H GLN 42 HN GLN 42 3.546 3.299 0.809 244 HA GLN 42 HA GLN 42 5.781 4.675 1.785 245 HB2 GLN 42 HB2 GLN 42 3.749 5.379 -0.329 246 HB3 GLN 42 HB1 GLN 42 5.142 6.396 0.017 247 HG2 GLN 42 HG2 GLN 42 5.726 3.552 -0.461 248 HG3 GLN 42 HG1 GLN 42 5.112 4.457 -1.844 249 HE21 GLN 42 HE21 GLN 42 6.216 6.592 -2.211 250 HE22 GLN 42 HE22 GLN 42 7.933 6.627 -2.020 251 H TYR 43 HN TYR 43 2.340 5.540 1.825 252 HA TYR 43 HA TYR 43 2.739 8.053 3.102 253 HD1 TYR 43 HD2 TYR 43 1.567 9.712 1.881 254 HD2 TYR 43 HD1 TYR 43 -0.382 6.147 0.619 255 HE1 TYR 43 HE2 TYR 43 1.319 10.654 -0.376 256 HE2 TYR 43 HE1 TYR 43 -0.634 7.079 -1.642 257 HH TYR 43 HH TYR 43 0.803 9.014 -3.007 258 HB2 TYR 43 HB2 TYR 43 0.275 6.325 2.814 259 HB3 TYR 43 HB1 TYR 43 0.265 7.950 3.491 260 H PHE 44 HN PHE 44 2.227 4.783 4.224 261 HA PHE 44 HA PHE 44 1.614 5.474 6.923 262 HD1 PHE 44 HD1 PHE 44 0.045 4.659 7.855 263 HD2 PHE 44 HD2 PHE 44 0.542 1.683 4.855 264 HE1 PHE 44 HE1 PHE 44 -2.385 4.274 7.840 265 HE2 PHE 44 HE2 PHE 44 -1.887 1.293 4.833 266 HZ PHE 44 HZ PHE 44 -3.354 2.590 6.327 267 HB2 PHE 44 HB2 PHE 44 2.362 2.940 5.505 268 HB3 PHE 44 HB1 PHE 44 2.343 2.985 7.265 269 H LEU 45 HN LEU 45 4.552 4.274 5.316 270 HA LEU 45 HA LEU 45 6.206 4.262 7.573 271 HG LEU 45 HG LEU 45 7.924 2.566 6.716 272 HB2 LEU 45 HB2 LEU 45 6.638 4.330 4.632 273 HB3 LEU 45 HB1 LEU 45 8.003 4.727 5.658 274 HD11 LEU 45 HD11 LEU 45 5.422 2.394 6.658 275 HD12 LEU 45 HD12 LEU 45 6.287 0.908 6.262 276 HD13 LEU 45 HD13 LEU 45 5.567 1.878 4.977 277 HD21 LEU 45 HD23 LEU 45 8.407 1.125 4.809 278 HD22 LEU 45 HD21 LEU 45 9.120 2.723 4.591 279 HD23 LEU 45 HD22 LEU 45 7.646 2.291 3.726 280 H HIS 46 HN HIS 46 5.225 6.849 5.441 281 HA HIS 46 HA HIS 46 7.196 8.730 6.251 282 HD1 HIS 46 HD1 HIS 46 7.671 10.882 4.104 283 HD2 HIS 46 HD2 HIS 46 4.137 11.779 6.095 284 HE1 HIS 46 HE1 HIS 46 7.682 13.379 4.399 285 HE2 HIS 46 HE2 HIS 46 5.493 13.908 5.529 286 HB2 HIS 46 HB2 HIS 46 5.933 8.947 4.144 287 HB3 HIS 46 HB1 HIS 46 4.454 9.213 5.063 288 H VAL 47 HN VAL 47 3.921 7.988 7.342 289 HA VAL 47 HA VAL 47 3.731 10.161 9.168 290 HB VAL 47 HB VAL 47 2.218 7.549 9.276 291 HG11 VAL 47 HG11 VAL 47 2.258 9.514 11.130 292 HG12 VAL 47 HG12 VAL 47 0.864 8.480 10.817 293 HG13 VAL 47 HG13 VAL 47 0.956 10.082 10.085 294 HG21 VAL 47 HG23 VAL 47 2.249 9.214 7.126 295 HG22 VAL 47 HG21 VAL 47 0.917 9.885 8.067 296 HG23 VAL 47 HG22 VAL 47 0.888 8.190 7.582 297 H VAL 48 HN VAL 48 4.289 6.673 9.673 298 HA VAL 48 HA VAL 48 4.736 6.806 12.431 299 HB VAL 48 HB VAL 48 6.022 4.828 10.548 300 HG11 VAL 48 HG11 VAL 48 6.938 4.561 12.698 301 HG12 VAL 48 HG12 VAL 48 5.681 3.329 12.575 302 HG13 VAL 48 HG13 VAL 48 5.379 4.810 13.483 303 HG21 VAL 48 HG23 VAL 48 3.830 3.548 11.461 304 HG22 VAL 48 HG21 VAL 48 3.893 4.413 9.925 305 HG23 VAL 48 HG22 VAL 48 3.210 5.195 11.351 306 H LYS 49 HN LYS 49 6.985 7.069 9.710 307 HA LYS 49 HA LYS 49 9.347 7.168 11.262 308 HB2 LYS 49 HB2 LYS 49 9.267 6.677 8.820 309 HB3 LYS 49 HB1 LYS 49 8.871 8.365 8.527 310 HG2 LYS 49 HG2 LYS 49 11.052 8.879 9.785 311 HG3 LYS 49 HG1 LYS 49 11.436 7.179 9.509 312 HD2 LYS 49 HD2 LYS 49 12.315 7.944 7.582 313 HD3 LYS 49 HD1 LYS 49 10.638 7.927 7.032 314 HE2 LYS 49 HE2 LYS 49 11.485 10.052 6.454 315 HE3 LYS 49 HE1 LYS 49 10.475 10.305 7.876 316 HZ1 LYS 49 HZ3 LYS 49 13.341 9.818 8.260 317 HZ2 LYS 49 HZ1 LYS 49 12.271 10.742 9.191 318 HZ3 LYS 49 HZ2 LYS 49 12.849 11.344 7.719 319 H TYR 50 HN TYR 50 7.105 9.633 10.134 320 HA TYR 50 HA TYR 50 8.747 11.805 11.098 321 HD1 TYR 50 HD1 TYR 50 8.331 10.698 8.350 322 HD2 TYR 50 HD2 TYR 50 7.183 14.720 9.125 323 HE1 TYR 50 HE1 TYR 50 9.585 11.432 6.366 324 HE2 TYR 50 HE2 TYR 50 8.434 15.466 7.143 325 HH TYR 50 HH TYR 50 10.658 13.505 5.529 326 HB2 TYR 50 HB2 TYR 50 6.078 11.586 9.759 327 HB3 TYR 50 HB1 TYR 50 6.504 13.080 10.587 328 H GLU 51 HN GLU 51 5.363 10.955 11.835 329 HA GLU 51 HA GLU 51 5.781 10.799 14.637 330 HB2 GLU 51 HB2 GLU 51 4.352 12.855 15.158 331 HB3 GLU 51 HB1 GLU 51 6.025 13.137 14.693 332 HG2 GLU 51 HG2 GLU 51 5.460 14.053 12.677 333 HG3 GLU 51 HG1 GLU 51 3.934 13.174 12.581 334 H ALA 52 HN ALA 52 4.550 8.945 14.469 335 HA ALA 52 HA ALA 52 2.093 8.702 13.155 336 HB1 ALA 52 HB3 ALA 52 3.719 6.951 14.344 337 HB2 ALA 52 HB1 ALA 52 2.028 6.595 13.990 338 HB3 ALA 52 HB2 ALA 52 2.501 7.103 15.611 339 H GLN 53 HN GLN 53 0.225 7.758 14.883 340 HA GLN 53 HA GLN 53 -0.880 10.178 15.936 341 HB2 GLN 53 HB2 GLN 53 -1.916 7.370 16.332 342 HB3 GLN 53 HB1 GLN 53 -2.826 8.869 16.453 343 HG2 GLN 53 HG2 GLN 53 -1.937 9.074 13.928 344 HG3 GLN 53 HG1 GLN 53 -2.025 7.320 14.081 345 HE21 GLN 53 HE21 GLN 53 -3.798 6.745 13.026 346 HE22 GLN 53 HE22 GLN 53 -5.373 7.412 13.265 347 H GLY 54 HN GLY 54 0.302 7.149 17.373 348 HA2 GLY 54 HA2 GLY 54 1.192 8.512 19.728 349 HA3 GLY 54 HA1 GLY 54 -0.268 7.579 20.025 350 H ASP 55 HN ASP 55 -0.106 5.436 20.375 351 HA ASP 55 HA ASP 55 2.508 4.171 19.879 352 HB2 ASP 55 HB2 ASP 55 1.755 4.771 22.351 353 HB3 ASP 55 HB1 ASP 55 0.838 3.277 22.186 354 H LYS 56 HN LYS 56 -0.835 3.320 20.798 355 HA LYS 56 HA LYS 56 -0.785 0.730 19.737 356 HB2 LYS 56 HB2 LYS 56 -2.492 1.506 21.323 357 HB3 LYS 56 HB1 LYS 56 -3.152 2.578 20.095 358 HG2 LYS 56 HG2 LYS 56 -3.287 0.255 18.768 359 HG3 LYS 56 HG1 LYS 56 -3.441 -0.338 20.423 360 HD2 LYS 56 HD2 LYS 56 -5.484 0.583 20.699 361 HD3 LYS 56 HD1 LYS 56 -5.072 2.025 19.768 362 HE2 LYS 56 HE2 LYS 56 -5.293 0.725 17.693 363 HE3 LYS 56 HE1 LYS 56 -5.749 -0.690 18.641 364 HZ1 LYS 56 HZ3 LYS 56 -7.294 1.697 18.002 365 HZ2 LYS 56 HZ1 LYS 56 -7.519 1.044 19.547 366 HZ3 LYS 56 HZ2 LYS 56 -7.802 0.093 18.177 367 H ALA 57 HN ALA 57 -1.409 3.829 18.247 368 HA ALA 57 HA ALA 57 -2.616 2.932 15.870 369 HB1 ALA 57 HB3 ALA 57 -2.132 5.362 16.913 370 HB2 ALA 57 HB1 ALA 57 -2.555 5.094 15.222 371 HB3 ALA 57 HB2 ALA 57 -0.866 5.299 15.687 372 H LYS 58 HN LYS 58 0.785 3.534 16.687 373 HA LYS 58 HA LYS 58 1.873 3.010 14.162 374 HB2 LYS 58 HB2 LYS 58 3.149 2.499 16.854 375 HB3 LYS 58 HB1 LYS 58 3.993 2.682 15.322 376 HG2 LYS 58 HG2 LYS 58 3.543 4.967 15.210 377 HG3 LYS 58 HG1 LYS 58 2.250 4.863 16.407 378 HD2 LYS 58 HD2 LYS 58 3.726 4.728 18.182 379 HD3 LYS 58 HD1 LYS 58 5.044 4.129 17.173 380 HE2 LYS 58 HE2 LYS 58 4.789 6.494 16.037 381 HE3 LYS 58 HE1 LYS 58 4.083 6.915 17.596 382 HZ1 LYS 58 HZ3 LYS 58 6.681 7.042 17.096 383 HZ2 LYS 58 HZ1 LYS 58 6.596 5.455 17.677 384 HZ3 LYS 58 HZ2 LYS 58 6.057 6.737 18.639 385 H GLN 59 HN GLN 59 1.133 0.854 16.863 386 HA GLN 59 HA GLN 59 2.316 -1.474 15.862 387 HB2 GLN 59 HB2 GLN 59 0.885 -0.795 18.120 388 HB3 GLN 59 HB1 GLN 59 -0.187 -1.929 17.309 389 HG2 GLN 59 HG2 GLN 59 2.609 -2.785 17.433 390 HG3 GLN 59 HG1 GLN 59 1.822 -2.612 19.001 391 HE21 GLN 59 HE21 GLN 59 2.262 -4.578 16.309 392 HE22 GLN 59 HE22 GLN 59 1.060 -5.767 16.664 393 H SER 60 HN SER 60 -0.818 -0.013 15.231 394 HA SER 60 HA SER 60 -1.946 -2.202 13.836 395 HG SER 60 HG SER 60 -4.728 -0.769 14.151 396 HB2 SER 60 HB2 SER 60 -2.587 0.676 14.186 397 HB3 SER 60 HB1 SER 60 -3.279 -0.120 12.773 398 H ILE 61 HN ILE 61 0.046 0.521 12.850 399 HA ILE 61 HA ILE 61 -0.238 0.089 10.046 400 HB ILE 61 HB ILE 61 2.025 1.509 11.451 401 HG12 ILE 61 HG12 ILE 61 -0.586 2.664 10.448 402 HG13 ILE 61 HG11 ILE 61 -0.211 2.362 12.142 403 HG21 ILE 61 HG21 ILE 61 2.188 0.880 8.979 404 HG22 ILE 61 HG22 ILE 61 2.473 2.566 9.411 405 HG23 ILE 61 HG23 ILE 61 0.924 2.082 8.719 406 HD11 ILE 61 HD13 ILE 61 1.121 4.322 10.296 407 HD12 ILE 61 HD11 ILE 61 1.716 3.927 11.908 408 HD13 ILE 61 HD12 ILE 61 0.130 4.671 11.712 409 H ARG 62 HN ARG 62 1.979 -1.055 12.513 410 HA ARG 62 HA ARG 62 3.994 -2.080 10.862 411 HE ARG 62 HE ARG 62 6.917 -2.261 12.567 412 HB2 ARG 62 HB2 ARG 62 3.028 -3.000 13.572 413 HB3 ARG 62 HB1 ARG 62 4.488 -3.599 12.796 414 HG2 ARG 62 HG2 ARG 62 4.999 -0.987 12.664 415 HG3 ARG 62 HG1 ARG 62 3.954 -0.995 14.086 416 HD2 ARG 62 HD2 ARG 62 5.945 -1.370 15.118 417 HD3 ARG 62 HD1 ARG 62 5.516 -3.039 14.745 418 HH11 ARG 62 HH11 ARG 62 7.575 -2.141 15.992 419 HH12 ARG 62 HH12 ARG 62 9.288 -2.291 15.795 420 HH21 ARG 62 HH21 ARG 62 9.171 -2.460 12.306 421 HH22 ARG 62 HH22 ARG 62 10.195 -2.472 13.702 422 H ALA 63 HN ALA 63 1.139 -3.702 12.239 423 HA ALA 63 HA ALA 63 1.594 -6.195 11.005 424 HB1 ALA 63 HB3 ALA 63 -1.019 -6.330 11.373 425 HB2 ALA 63 HB1 ALA 63 -0.717 -4.887 12.341 426 HB3 ALA 63 HB2 ALA 63 0.108 -6.397 12.728 427 H LYS 64 HN LYS 64 -0.040 -3.282 9.936 428 HA LYS 64 HA LYS 64 -1.226 -4.497 7.624 429 HB2 LYS 64 HB2 LYS 64 -0.847 -1.631 8.481 430 HB3 LYS 64 HB1 LYS 64 -1.603 -2.070 6.955 431 HG2 LYS 64 HG2 LYS 64 -3.267 -3.404 8.263 432 HG3 LYS 64 HG1 LYS 64 -2.574 -2.706 9.729 433 HD2 LYS 64 HD2 LYS 64 -3.539 -0.972 7.478 434 HD3 LYS 64 HD1 LYS 64 -4.648 -1.578 8.710 435 HE2 LYS 64 HE2 LYS 64 -3.110 -0.589 10.432 436 HE3 LYS 64 HE1 LYS 64 -2.234 0.178 9.109 437 HZ1 LYS 64 HZ3 LYS 64 -3.675 1.836 9.522 438 HZ2 LYS 64 HZ1 LYS 64 -4.830 0.826 10.236 439 HZ3 LYS 64 HZ2 LYS 64 -4.721 0.928 8.551 440 H CYS 65 HN CYS 65 1.671 -2.594 8.282 441 HA CYS 65 HA CYS 65 2.483 -2.150 5.641 442 HG CYS 65 HG CYS 65 5.249 -0.747 5.835 443 HB2 CYS 65 HB2 CYS 65 3.486 -1.000 7.564 444 HB3 CYS 65 HB1 CYS 65 4.199 -2.515 8.106 445 H THR 66 HN THR 66 2.745 -4.958 7.694 446 HA THR 66 HA THR 66 4.600 -6.310 5.934 447 HB THR 66 HB THR 66 4.687 -6.688 8.363 448 HG1 THR 66 HG1 THR 66 4.887 -8.896 8.231 449 HG21 THR 66 HG23 THR 66 2.513 -6.581 9.174 450 HG22 THR 66 HG21 THR 66 2.928 -8.291 9.287 451 HG23 THR 66 HG22 THR 66 1.906 -7.718 7.969 452 H GLU 67 HN GLU 67 1.159 -6.213 6.522 453 HA GLU 67 HA GLU 67 0.494 -8.579 5.098 454 HB2 GLU 67 HB2 GLU 67 -1.027 -7.558 6.732 455 HB3 GLU 67 HB1 GLU 67 -1.193 -6.143 5.702 456 HG2 GLU 67 HG2 GLU 67 -3.122 -7.538 5.445 457 HG3 GLU 67 HG1 GLU 67 -2.183 -7.572 3.953 458 H TYR 68 HN TYR 68 0.486 -5.138 4.208 459 HA TYR 68 HA TYR 68 -0.344 -5.612 1.522 460 HD1 TYR 68 HD1 TYR 68 -2.245 -4.792 2.063 461 HD2 TYR 68 HD2 TYR 68 -0.105 -1.647 3.967 462 HE1 TYR 68 HE1 TYR 68 -4.273 -4.174 3.309 463 HE2 TYR 68 HE2 TYR 68 -2.126 -1.021 5.219 464 HH TYR 68 HH TYR 68 -5.222 -2.290 4.466 465 HB2 TYR 68 HB2 TYR 68 1.057 -3.177 2.643 466 HB3 TYR 68 HB1 TYR 68 0.118 -3.259 1.156 467 H LEU 69 HN LEU 69 2.770 -5.173 3.113 468 HA LEU 69 HA LEU 69 4.357 -4.952 0.805 469 HG LEU 69 HG LEU 69 4.855 -3.332 3.054 470 HB2 LEU 69 HB2 LEU 69 4.864 -5.736 3.642 471 HB3 LEU 69 HB1 LEU 69 6.123 -6.005 2.451 472 HD11 LEU 69 HD11 LEU 69 6.158 -3.940 4.935 473 HD12 LEU 69 HD12 LEU 69 7.145 -2.836 3.976 474 HD13 LEU 69 HD13 LEU 69 7.455 -4.571 3.920 475 HD21 LEU 69 HD23 LEU 69 7.131 -2.751 1.782 476 HD22 LEU 69 HD21 LEU 69 5.595 -2.974 0.944 477 HD23 LEU 69 HD22 LEU 69 6.763 -4.293 1.010 478 H ASP 70 HN ASP 70 3.512 -7.790 2.775 479 HA ASP 70 HA ASP 70 4.947 -9.680 1.281 480 HB2 ASP 70 HB2 ASP 70 3.703 -9.862 3.592 481 HB3 ASP 70 HB1 ASP 70 2.359 -10.410 2.597 482 H ARG 71 HN ARG 71 1.671 -8.421 0.926 483 HA ARG 71 HA ARG 71 0.941 -10.220 -1.166 484 HE ARG 71 HE ARG 71 -3.814 -9.450 -2.484 485 HB2 ARG 71 HB2 ARG 71 -0.575 -8.848 0.445 486 HB3 ARG 71 HB1 ARG 71 -0.374 -7.564 -0.739 487 HG2 ARG 71 HG2 ARG 71 -1.636 -8.618 -2.307 488 HG3 ARG 71 HG1 ARG 71 -1.195 -10.230 -1.739 489 HD2 ARG 71 HD2 ARG 71 -2.702 -10.090 0.084 490 HD3 ARG 71 HD1 ARG 71 -2.955 -8.369 -0.161 491 HH11 ARG 71 HH11 ARG 71 -4.547 -10.100 0.864 492 HH12 ARG 71 HH12 ARG 71 -6.165 -10.620 0.537 493 HH21 ARG 71 HH21 ARG 71 -5.943 -10.130 -2.916 494 HH22 ARG 71 HH22 ARG 71 -6.958 -10.640 -1.608 495 H ALA 72 HN ALA 72 1.885 -6.797 -1.090 496 HA ALA 72 HA ALA 72 1.786 -6.410 -3.885 497 HB1 ALA 72 HB3 ALA 72 3.462 -4.488 -3.212 498 HB2 ALA 72 HB1 ALA 72 2.946 -4.925 -1.584 499 HB3 ALA 72 HB2 ALA 72 1.755 -4.410 -2.778 500 H GLU 73 HN GLU 73 4.409 -7.322 -1.693 501 HA GLU 73 HA GLU 73 6.516 -7.212 -3.533 502 HB2 GLU 73 HB2 GLU 73 6.080 -8.815 -1.024 503 HB3 GLU 73 HB1 GLU 73 7.553 -8.974 -1.970 504 HG2 GLU 73 HG2 GLU 73 6.735 -6.232 -1.244 505 HG3 GLU 73 HG1 GLU 73 7.294 -7.271 0.065 506 H LYS 74 HN LYS 74 4.222 -9.783 -2.777 507 HA LYS 74 HA LYS 74 5.479 -11.730 -4.434 508 HB2 LYS 74 HB2 LYS 74 3.744 -11.980 -2.452 509 HB3 LYS 74 HB1 LYS 74 2.574 -11.890 -3.761 510 HG2 LYS 74 HG2 LYS 74 3.122 -13.920 -4.579 511 HG3 LYS 74 HG1 LYS 74 4.819 -13.770 -4.120 512 HD2 LYS 74 HD2 LYS 74 2.909 -13.910 -1.883 513 HD3 LYS 74 HD1 LYS 74 3.040 -15.380 -2.862 514 HE2 LYS 74 HE2 LYS 74 4.727 -15.810 -1.408 515 HE3 LYS 74 HE1 LYS 74 5.635 -14.850 -2.575 516 HZ1 LYS 74 HZ3 LYS 74 4.750 -12.920 -1.000 517 HZ2 LYS 74 HZ1 LYS 74 6.203 -13.740 -0.708 518 HZ3 LYS 74 HZ2 LYS 74 4.802 -14.170 0.134 519 H LEU 75 HN LEU 75 2.762 -9.509 -4.843 520 HA LEU 75 HA LEU 75 1.853 -10.410 -7.322 521 HG LEU 75 HG LEU 75 -0.411 -9.466 -7.356 522 HB2 LEU 75 HB2 LEU 75 1.634 -7.921 -5.755 523 HB3 LEU 75 HB1 LEU 75 1.356 -7.755 -7.479 524 HD11 LEU 75 HD11 LEU 75 -0.926 -10.650 -5.508 525 HD12 LEU 75 HD12 LEU 75 -0.500 -9.346 -4.408 526 HD13 LEU 75 HD13 LEU 75 0.766 -10.340 -5.119 527 HD21 LEU 75 HD23 LEU 75 -1.200 -7.587 -5.220 528 HD22 LEU 75 HD21 LEU 75 -1.987 -7.962 -6.753 529 HD23 LEU 75 HD22 LEU 75 -0.604 -6.868 -6.715 530 H LYS 76 HN LYS 76 4.171 -7.806 -6.604 531 HA LYS 76 HA LYS 76 4.788 -7.232 -9.295 532 HB2 LYS 76 HB2 LYS 76 6.703 -6.009 -8.410 533 HB3 LYS 76 HB1 LYS 76 5.269 -5.683 -7.447 534 HG2 LYS 76 HG2 LYS 76 6.061 -7.338 -5.786 535 HG3 LYS 76 HG1 LYS 76 7.540 -7.523 -6.731 536 HD2 LYS 76 HD2 LYS 76 6.713 -4.781 -5.925 537 HD3 LYS 76 HD1 LYS 76 7.397 -5.844 -4.693 538 HE2 LYS 76 HE2 LYS 76 9.237 -6.260 -6.507 539 HE3 LYS 76 HE1 LYS 76 8.660 -4.726 -7.157 540 HZ1 LYS 76 HZ3 LYS 76 9.154 -3.653 -5.091 541 HZ2 LYS 76 HZ1 LYS 76 10.534 -4.493 -5.594 542 HZ3 LYS 76 HZ2 LYS 76 9.566 -5.121 -4.358 543 H GLU 77 HN GLU 77 5.918 -9.662 -7.084 544 HA GLU 77 HA GLU 77 8.358 -10.350 -8.220 545 HB2 GLU 77 HB2 GLU 77 7.031 -11.250 -6.110 546 HB3 GLU 77 HB1 GLU 77 6.561 -12.520 -7.240 547 HG2 GLU 77 HG2 GLU 77 9.433 -11.870 -7.151 548 HG3 GLU 77 HG1 GLU 77 8.759 -12.620 -5.706 549 H TYR 78 HN TYR 78 5.177 -11.840 -8.882 550 HA TYR 78 HA TYR 78 6.184 -13.330 -11.100 551 HD1 TYR 78 HD1 TYR 78 2.785 -12.450 -12.740 552 HD2 TYR 78 HD2 TYR 78 2.611 -12.550 -8.490 553 HE1 TYR 78 HE1 TYR 78 0.729 -11.100 -12.790 554 HE2 TYR 78 HE2 TYR 78 0.552 -11.210 -8.538 555 HH TYR 78 HH TYR 78 -1.399 -10.900 -10.690 556 HB2 TYR 78 HB2 TYR 78 4.016 -14.200 -11.330 557 HB3 TYR 78 HB1 TYR 78 4.172 -13.900 -9.608 558 H LEU 79 HN LEU 79 4.496 -10.270 -10.710 559 HA LEU 79 HA LEU 79 3.834 -9.850 -13.410 560 HG LEU 79 HG LEU 79 2.191 -9.308 -11.070 561 HB2 LEU 79 HB2 LEU 79 4.290 -7.979 -11.100 562 HB3 LEU 79 HB1 LEU 79 3.858 -7.392 -12.700 563 HD11 LEU 79 HD11 LEU 79 2.553 -6.705 -10.470 564 HD12 LEU 79 HD12 LEU 79 1.055 -7.588 -10.180 565 HD13 LEU 79 HD13 LEU 79 1.222 -6.587 -11.620 566 HD21 LEU 79 HD23 LEU 79 1.622 -7.827 -13.640 567 HD22 LEU 79 HD21 LEU 79 0.454 -8.787 -12.730 568 HD23 LEU 79 HD22 LEU 79 1.857 -9.567 -13.460 569 H LYS 80 HN LYS 80 6.781 -9.364 -11.610 570 HA LYS 80 HA LYS 80 8.052 -7.786 -13.650 571 HB2 LYS 80 HB2 LYS 80 8.800 -8.869 -10.990 572 HB3 LYS 80 HB1 LYS 80 10.117 -8.586 -12.120 573 HG2 LYS 80 HG2 LYS 80 9.111 -6.248 -12.410 574 HG3 LYS 80 HG1 LYS 80 8.198 -6.611 -10.950 575 HD2 LYS 80 HD2 LYS 80 9.999 -5.745 -9.909 576 HD3 LYS 80 HD1 LYS 80 10.690 -7.345 -10.180 577 HE2 LYS 80 HE2 LYS 80 11.605 -6.480 -12.340 578 HE3 LYS 80 HE1 LYS 80 11.061 -4.872 -11.870 579 HZ1 LYS 80 HZ3 LYS 80 13.061 -6.559 -10.460 580 HZ2 LYS 80 HZ1 LYS 80 12.465 -5.093 -9.870 581 HZ3 LYS 80 HZ2 LYS 80 13.357 -5.121 -11.300 582 H ASN 81 HN ASN 81 8.197 -11.140 -12.540 583 HA ASN 81 HA ASN 81 10.281 -12.010 -14.200 584 HB2 ASN 81 HB2 ASN 81 8.829 -13.180 -12.250 585 HB3 ASN 81 HB1 ASN 81 8.074 -13.920 -13.660 586 HD21 ASN 81 HD21 ASN 81 10.722 -13.940 -11.560 587 HD22 ASN 81 HD22 ASN 81 11.670 -15.130 -12.380 Start of MODEL 13 1 H ASN 10 HN ASN 10 -2.113 13.781 2.374 2 HA ASN 10 HA ASN 10 -1.474 11.953 0.222 3 HB2 ASN 10 HB2 ASN 10 -0.061 12.496 2.842 4 HB3 ASN 10 HB1 ASN 10 0.563 11.481 1.545 5 HD21 ASN 10 HD21 ASN 10 0.022 14.693 2.657 6 HD22 ASN 10 HD22 ASN 10 0.860 15.507 1.384 7 H LEU 11 HN LEU 11 -2.613 11.809 3.544 8 HA LEU 11 HA LEU 11 -2.418 8.959 3.746 9 HG LEU 11 HG LEU 11 -4.526 8.378 5.575 10 HB2 LEU 11 HB2 LEU 11 -2.318 10.373 5.730 11 HB3 LEU 11 HB1 LEU 11 -3.939 10.962 5.414 12 HD11 LEU 11 HD11 LEU 11 -1.914 8.117 6.023 13 HD12 LEU 11 HD12 LEU 11 -3.116 7.061 6.764 14 HD13 LEU 11 HD13 LEU 11 -2.445 8.411 7.679 15 HD21 LEU 11 HD23 LEU 11 -5.304 8.773 7.753 16 HD22 LEU 11 HD21 LEU 11 -5.288 10.360 6.984 17 HD23 LEU 11 HD22 LEU 11 -4.003 9.910 8.104 18 H GLN 12 HN GLN 12 -4.920 11.258 2.861 19 HA GLN 12 HA GLN 12 -7.137 9.551 2.945 20 HB2 GLN 12 HB2 GLN 12 -7.138 12.065 2.643 21 HB3 GLN 12 HB1 GLN 12 -6.734 11.784 0.955 22 HG2 GLN 12 HG2 GLN 12 -9.055 10.281 1.928 23 HG3 GLN 12 HG1 GLN 12 -9.249 12.033 1.927 24 HE21 GLN 12 HE21 GLN 12 -9.104 13.158 -0.039 25 HE22 GLN 12 HE22 GLN 12 -9.327 12.358 -1.554 26 H LYS 13 HN LYS 13 -4.620 9.962 0.554 27 HA LYS 13 HA LYS 13 -5.974 8.402 -1.456 28 HB2 LYS 13 HB2 LYS 13 -4.374 10.224 -2.018 29 HB3 LYS 13 HB1 LYS 13 -3.076 9.256 -1.332 30 HG2 LYS 13 HG2 LYS 13 -2.865 8.797 -3.569 31 HG3 LYS 13 HG1 LYS 13 -3.886 7.460 -3.034 32 HD2 LYS 13 HD2 LYS 13 -5.069 8.134 -4.869 33 HD3 LYS 13 HD1 LYS 13 -5.816 9.161 -3.644 34 HE2 LYS 13 HE2 LYS 13 -3.465 10.048 -5.296 35 HE3 LYS 13 HE1 LYS 13 -5.134 10.288 -5.813 36 HZ1 LYS 13 HZ3 LYS 13 -4.533 12.257 -4.740 37 HZ2 LYS 13 HZ1 LYS 13 -3.756 11.453 -3.470 38 HZ3 LYS 13 HZ2 LYS 13 -5.444 11.424 -3.583 39 H ALA 14 HN ALA 14 -3.428 7.893 0.928 40 HA ALA 14 HA ALA 14 -2.565 5.365 0.094 41 HB1 ALA 14 HB3 ALA 14 -1.579 6.949 1.875 42 HB2 ALA 14 HB1 ALA 14 -1.445 5.209 2.125 43 HB3 ALA 14 HB2 ALA 14 -2.675 6.131 2.988 44 H ILE 15 HN ILE 15 -5.222 6.323 2.215 45 HA ILE 15 HA ILE 15 -5.924 3.626 2.901 46 HB ILE 15 HB ILE 15 -7.648 6.085 3.188 47 HG12 ILE 15 HG12 ILE 15 -5.827 4.954 5.308 48 HG13 ILE 15 HG11 ILE 15 -5.299 6.226 4.211 49 HG21 ILE 15 HG21 ILE 15 -8.260 4.542 5.284 50 HG22 ILE 15 HG22 ILE 15 -7.789 3.289 4.136 51 HG23 ILE 15 HG23 ILE 15 -9.081 4.418 3.728 52 HD11 ILE 15 HD13 ILE 15 -7.746 6.479 5.927 53 HD12 ILE 15 HD11 ILE 15 -6.880 7.749 5.064 54 HD13 ILE 15 HD12 ILE 15 -6.138 6.969 6.462 55 H ASP 16 HN ASP 16 -6.984 6.002 0.537 56 HA ASP 16 HA ASP 16 -9.334 4.719 -0.311 57 HB2 ASP 16 HB2 ASP 16 -8.275 7.088 -0.883 58 HB3 ASP 16 HB1 ASP 16 -7.676 6.214 -2.290 59 H LEU 17 HN LEU 17 -5.973 4.384 -1.345 60 HA LEU 17 HA LEU 17 -6.559 2.571 -3.475 61 HG LEU 17 HG LEU 17 -5.167 4.991 -3.476 62 HB2 LEU 17 HB2 LEU 17 -3.958 3.102 -2.037 63 HB3 LEU 17 HB1 LEU 17 -4.126 2.205 -3.534 64 HD11 LEU 17 HD11 LEU 17 -2.706 5.544 -4.269 65 HD12 LEU 17 HD12 LEU 17 -2.316 4.226 -3.163 66 HD13 LEU 17 HD13 LEU 17 -3.182 5.645 -2.574 67 HD21 LEU 17 HD23 LEU 17 -4.065 4.866 -5.787 68 HD22 LEU 17 HD21 LEU 17 -5.509 3.893 -5.509 69 HD23 LEU 17 HD22 LEU 17 -3.916 3.137 -5.475 70 H ALA 18 HN ALA 18 -5.641 2.244 -0.096 71 HA ALA 18 HA ALA 18 -5.038 -0.492 -0.078 72 HB1 ALA 18 HB3 ALA 18 -5.876 -0.237 2.398 73 HB2 ALA 18 HB1 ALA 18 -5.881 1.479 1.990 74 HB3 ALA 18 HB2 ALA 18 -4.390 0.546 1.860 75 H SER 19 HN SER 19 -8.111 1.215 0.284 76 HA SER 19 HA SER 19 -9.644 -1.098 0.902 77 HG SER 19 HG SER 19 -11.110 0.421 2.357 78 HB2 SER 19 HB2 SER 19 -10.370 1.665 -0.060 79 HB3 SER 19 HB1 SER 19 -11.590 0.417 0.223 80 H LYS 20 HN LYS 20 -8.929 0.644 -2.088 81 HA LYS 20 HA LYS 20 -10.640 -0.931 -3.726 82 HB2 LYS 20 HB2 LYS 20 -8.510 1.093 -4.193 83 HB3 LYS 20 HB1 LYS 20 -8.965 0.052 -5.535 84 HG2 LYS 20 HG2 LYS 20 -11.180 1.317 -4.070 85 HG3 LYS 20 HG1 LYS 20 -10.140 2.397 -5.002 86 HD2 LYS 20 HD2 LYS 20 -11.310 -0.114 -6.177 87 HD3 LYS 20 HD1 LYS 20 -12.180 1.420 -6.192 88 HE2 LYS 20 HE2 LYS 20 -9.393 1.120 -7.276 89 HE3 LYS 20 HE1 LYS 20 -10.830 0.868 -8.264 90 HZ1 LYS 20 HZ3 LYS 20 -10.310 3.372 -6.764 91 HZ2 LYS 20 HZ1 LYS 20 -11.480 3.106 -7.957 92 HZ3 LYS 20 HZ2 LYS 20 -9.845 3.145 -8.373 93 H ALA 21 HN ALA 21 -7.191 -1.026 -2.975 94 HA ALA 21 HA ALA 21 -6.475 -3.064 -4.769 95 HB1 ALA 21 HB3 ALA 21 -4.959 -1.509 -3.421 96 HB2 ALA 21 HB1 ALA 21 -4.432 -3.178 -3.633 97 HB3 ALA 21 HB2 ALA 21 -5.150 -2.668 -2.106 98 H ALA 22 HN ALA 22 -7.337 -3.240 -1.318 99 HA ALA 22 HA ALA 22 -7.112 -6.016 -1.045 100 HB1 ALA 22 HB3 ALA 22 -8.500 -3.863 0.464 101 HB2 ALA 22 HB1 ALA 22 -7.251 -4.990 0.991 102 HB3 ALA 22 HB2 ALA 22 -8.918 -5.539 0.821 103 H GLN 23 HN GLN 23 -9.747 -4.007 -2.206 104 HA GLN 23 HA GLN 23 -11.640 -6.165 -2.283 105 HB2 GLN 23 HB2 GLN 23 -11.640 -3.309 -3.189 106 HB3 GLN 23 HB1 GLN 23 -12.890 -4.401 -3.754 107 HG2 GLN 23 HG2 GLN 23 -13.630 -4.819 -1.515 108 HG3 GLN 23 HG1 GLN 23 -12.270 -3.911 -0.854 109 HE21 GLN 23 HE21 GLN 23 -15.470 -3.777 -1.625 110 HE22 GLN 23 HE22 GLN 23 -15.670 -2.063 -1.700 111 H GLU 24 HN GLU 24 -9.385 -4.676 -4.491 112 HA GLU 24 HA GLU 24 -10.420 -5.791 -6.881 113 HB2 GLU 24 HB2 GLU 24 -7.771 -4.617 -6.110 114 HB3 GLU 24 HB1 GLU 24 -8.006 -5.351 -7.690 115 HG2 GLU 24 HG2 GLU 24 -9.971 -3.318 -6.793 116 HG3 GLU 24 HG1 GLU 24 -8.365 -2.771 -7.273 117 H ASP 25 HN ASP 25 -7.721 -6.757 -4.779 118 HA ASP 25 HA ASP 25 -6.985 -9.051 -6.209 119 HB2 ASP 25 HB2 ASP 25 -5.695 -7.895 -4.345 120 HB3 ASP 25 HB1 ASP 25 -6.746 -8.744 -3.216 121 H LYS 26 HN LYS 26 -9.109 -8.719 -3.371 122 HA LYS 26 HA LYS 26 -9.793 -11.430 -3.154 123 HB2 LYS 26 HB2 LYS 26 -10.960 -8.867 -2.188 124 HB3 LYS 26 HB1 LYS 26 -11.960 -10.310 -2.109 125 HG2 LYS 26 HG2 LYS 26 -10.680 -11.280 -0.504 126 HG3 LYS 26 HG1 LYS 26 -9.208 -10.470 -1.034 127 HD2 LYS 26 HD2 LYS 26 -9.822 -8.456 0.020 128 HD3 LYS 26 HD1 LYS 26 -11.480 -8.995 0.252 129 HE2 LYS 26 HE2 LYS 26 -10.450 -10.850 1.696 130 HE3 LYS 26 HE1 LYS 26 -9.007 -9.855 1.703 131 HZ1 LYS 26 HZ3 LYS 26 -11.680 -8.918 2.575 132 HZ2 LYS 26 HZ1 LYS 26 -10.220 -8.083 2.718 133 HZ3 LYS 26 HZ2 LYS 26 -10.480 -9.484 3.627 134 H ALA 27 HN ALA 27 -11.040 -8.869 -5.178 135 HA ALA 27 HA ALA 27 -13.400 -10.220 -5.997 136 HB1 ALA 27 HB3 ALA 27 -11.920 -7.981 -7.357 137 HB2 ALA 27 HB1 ALA 27 -13.180 -7.794 -6.142 138 HB3 ALA 27 HB2 ALA 27 -13.570 -8.502 -7.712 139 H GLY 28 HN GLY 28 -10.100 -10.100 -7.173 140 HA2 GLY 28 HA2 GLY 28 -9.696 -12.410 -8.312 141 HA3 GLY 28 HA1 GLY 28 -10.830 -11.750 -9.485 142 H ASN 29 HN ASN 29 -9.805 -9.024 -9.194 143 HA ASN 29 HA ASN 29 -7.724 -9.193 -11.140 144 HB2 ASN 29 HB2 ASN 29 -8.833 -6.804 -9.659 145 HB3 ASN 29 HB1 ASN 29 -7.739 -6.718 -11.030 146 HD21 ASN 29 HD21 ASN 29 -9.935 -5.371 -11.360 147 HD22 ASN 29 HD22 ASN 29 -11.060 -6.182 -12.390 148 H TYR 30 HN TYR 30 -5.659 -9.550 -10.710 149 HA TYR 30 HA TYR 30 -4.610 -8.831 -8.072 150 HD1 TYR 30 HD1 TYR 30 -6.270 -10.910 -8.476 151 HD2 TYR 30 HD2 TYR 30 -2.300 -12.150 -7.584 152 HE1 TYR 30 HE1 TYR 30 -7.149 -12.530 -6.843 153 HE2 TYR 30 HE2 TYR 30 -3.168 -13.770 -5.949 154 HH TYR 30 HH TYR 30 -5.453 -15.040 -5.647 155 HB2 TYR 30 HB2 TYR 30 -3.814 -10.850 -10.130 156 HB3 TYR 30 HB1 TYR 30 -2.632 -10.290 -8.956 157 H GLU 31 HN GLU 31 -4.117 -8.345 -11.510 158 HA GLU 31 HA GLU 31 -1.641 -7.040 -11.420 159 HB2 GLU 31 HB2 GLU 31 -3.917 -7.125 -13.340 160 HB3 GLU 31 HB1 GLU 31 -2.720 -5.854 -13.540 161 HG2 GLU 31 HG2 GLU 31 -0.963 -7.637 -13.550 162 HG3 GLU 31 HG1 GLU 31 -2.266 -8.825 -13.590 163 H GLU 32 HN GLU 32 -4.886 -5.571 -11.650 164 HA GLU 32 HA GLU 32 -4.020 -2.930 -11.240 165 HB2 GLU 32 HB2 GLU 32 -6.266 -3.742 -12.150 166 HB3 GLU 32 HB1 GLU 32 -6.741 -3.973 -10.470 167 HG2 GLU 32 HG2 GLU 32 -7.497 -1.879 -10.630 168 HG3 GLU 32 HG1 GLU 32 -5.807 -1.432 -10.400 169 H ALA 33 HN ALA 33 -4.973 -5.466 -9.011 170 HA ALA 33 HA ALA 33 -5.151 -3.844 -6.696 171 HB1 ALA 33 HB3 ALA 33 -5.361 -5.828 -5.481 172 HB2 ALA 33 HB1 ALA 33 -4.409 -6.750 -6.645 173 HB3 ALA 33 HB2 ALA 33 -6.039 -6.221 -7.061 174 H LEU 34 HN LEU 34 -2.508 -5.628 -8.202 175 HA LEU 34 HA LEU 34 -0.629 -5.406 -6.138 176 HG LEU 34 HG LEU 34 1.868 -4.791 -8.054 177 HB2 LEU 34 HB2 LEU 34 -0.305 -6.890 -8.033 178 HB3 LEU 34 HB1 LEU 34 -0.217 -5.522 -9.125 179 HD11 LEU 34 HD11 LEU 34 1.230 -7.054 -6.230 180 HD12 LEU 34 HD12 LEU 34 1.881 -5.456 -5.865 181 HD13 LEU 34 HD13 LEU 34 2.921 -6.691 -6.576 182 HD21 LEU 34 HD23 LEU 34 2.134 -7.699 -8.755 183 HD22 LEU 34 HD21 LEU 34 3.268 -6.382 -9.058 184 HD23 LEU 34 HD22 LEU 34 1.759 -6.473 -9.967 185 H GLN 35 HN GLN 35 -1.143 -3.318 -8.977 186 HA GLN 35 HA GLN 35 0.845 -1.439 -8.367 187 HB2 GLN 35 HB2 GLN 35 -1.744 -1.022 -9.872 188 HB3 GLN 35 HB1 GLN 35 -0.358 0.059 -9.906 189 HG2 GLN 35 HG2 GLN 35 0.989 -1.818 -10.840 190 HG3 GLN 35 HG1 GLN 35 -0.501 -2.755 -10.950 191 HE21 GLN 35 HE21 GLN 35 1.325 -0.096 -12.220 192 HE22 GLN 35 HE22 GLN 35 0.364 0.160 -13.630 193 H LEU 36 HN LEU 36 -2.440 -1.800 -7.234 194 HA LEU 36 HA LEU 36 -2.635 0.799 -6.061 195 HG LEU 36 HG LEU 36 -4.408 -0.433 -7.860 196 HB2 LEU 36 HB2 LEU 36 -4.218 -1.730 -5.610 197 HB3 LEU 36 HB1 LEU 36 -4.611 -0.185 -4.880 198 HD11 LEU 36 HD11 LEU 36 -5.931 -2.157 -7.442 199 HD12 LEU 36 HD12 LEU 36 -6.941 -0.745 -7.756 200 HD13 LEU 36 HD13 LEU 36 -6.679 -1.293 -6.099 201 HD21 LEU 36 HD23 LEU 36 -4.536 1.794 -6.841 202 HD22 LEU 36 HD21 LEU 36 -6.042 1.337 -6.046 203 HD23 LEU 36 HD22 LEU 36 -5.967 1.430 -7.806 204 H TYR 37 HN TYR 37 -1.814 -2.426 -4.865 205 HA TYR 37 HA TYR 37 -1.667 -1.808 -2.137 206 HD1 TYR 37 HD2 TYR 37 -2.768 -3.289 -1.112 207 HD2 TYR 37 HD1 TYR 37 -1.498 -5.732 -4.355 208 HE1 TYR 37 HE2 TYR 37 -4.810 -4.641 -0.886 209 HE2 TYR 37 HE1 TYR 37 -3.537 -7.090 -4.139 210 HH TYR 37 HH TYR 37 -5.200 -7.625 -2.242 211 HB2 TYR 37 HB2 TYR 37 -0.231 -3.887 -3.790 212 HB3 TYR 37 HB1 TYR 37 -0.099 -3.796 -2.037 213 H GLN 38 HN GLN 38 0.641 -1.388 -4.744 214 HA GLN 38 HA GLN 38 2.862 -0.761 -3.067 215 HB2 GLN 38 HB2 GLN 38 2.344 -0.233 -5.996 216 HB3 GLN 38 HB1 GLN 38 3.870 0.112 -5.193 217 HG2 GLN 38 HG2 GLN 38 3.892 -2.347 -4.536 218 HG3 GLN 38 HG1 GLN 38 2.598 -2.551 -5.716 219 HE21 GLN 38 HE21 GLN 38 3.399 -3.436 -7.476 220 HE22 GLN 38 HE22 GLN 38 4.875 -2.996 -8.258 221 H HIS 39 HN HIS 39 0.512 1.173 -4.884 222 HA HIS 39 HA HIS 39 1.603 3.695 -4.343 223 HD1 HIS 39 HD1 HIS 39 -1.740 4.674 -7.220 224 HD2 HIS 39 HD2 HIS 39 2.151 3.381 -6.543 225 HE1 HIS 39 HE1 HIS 39 -0.503 5.113 -9.365 226 HE2 HIS 39 HE2 HIS 39 1.870 4.404 -8.902 227 HB2 HIS 39 HB2 HIS 39 -1.107 2.701 -5.118 228 HB3 HIS 39 HB1 HIS 39 -0.936 4.376 -4.606 229 H ALA 40 HN ALA 40 -0.797 1.781 -2.572 230 HA ALA 40 HA ALA 40 -1.438 3.676 -0.615 231 HB1 ALA 40 HB3 ALA 40 -1.685 0.739 -0.875 232 HB2 ALA 40 HB1 ALA 40 -2.910 1.955 -0.513 233 HB3 ALA 40 HB2 ALA 40 -1.807 1.411 0.751 234 H VAL 41 HN VAL 41 1.099 1.205 -0.693 235 HA VAL 41 HA VAL 41 2.060 1.658 1.927 236 HB VAL 41 HB VAL 41 3.646 0.610 -0.420 237 HG11 VAL 41 HG11 VAL 41 4.565 1.262 2.034 238 HG12 VAL 41 HG12 VAL 41 5.246 -0.022 1.034 239 HG13 VAL 41 HG13 VAL 41 4.086 -0.414 2.304 240 HG21 VAL 41 HG23 VAL 41 2.616 -1.384 -0.292 241 HG22 VAL 41 HG21 VAL 41 1.304 -0.465 0.446 242 HG23 VAL 41 HG22 VAL 41 2.470 -1.310 1.464 243 H GLN 42 HN GLN 42 2.748 3.147 -1.171 244 HA GLN 42 HA GLN 42 5.095 4.528 -0.394 245 HB2 GLN 42 HB2 GLN 42 3.159 4.712 -2.651 246 HB3 GLN 42 HB1 GLN 42 4.225 6.082 -2.370 247 HG2 GLN 42 HG2 GLN 42 5.447 3.385 -2.457 248 HG3 GLN 42 HG1 GLN 42 4.877 4.081 -3.973 249 HE21 GLN 42 HE21 GLN 42 6.517 4.908 -5.040 250 HE22 GLN 42 HE22 GLN 42 7.802 5.849 -4.371 251 H TYR 43 HN TYR 43 1.683 5.506 -0.550 252 HA TYR 43 HA TYR 43 2.176 8.132 0.457 253 HD1 TYR 43 HD1 TYR 43 1.093 9.676 -1.145 254 HD2 TYR 43 HD2 TYR 43 -0.843 5.967 -1.916 255 HE1 TYR 43 HE1 TYR 43 1.022 10.219 -3.542 256 HE2 TYR 43 HE2 TYR 43 -0.918 6.499 -4.315 257 HH TYR 43 HH TYR 43 -0.885 8.560 -5.747 258 HB2 TYR 43 HB2 TYR 43 -0.398 6.552 0.269 259 HB3 TYR 43 HB1 TYR 43 -0.290 8.267 0.651 260 H PHE 44 HN PHE 44 1.179 5.064 1.873 261 HA PHE 44 HA PHE 44 0.461 5.994 4.416 262 HD1 PHE 44 HD1 PHE 44 -1.034 5.199 5.513 263 HD2 PHE 44 HD2 PHE 44 -0.455 2.032 2.731 264 HE1 PHE 44 HE1 PHE 44 -3.454 4.752 5.525 265 HE2 PHE 44 HE2 PHE 44 -2.874 1.580 2.736 266 HZ PHE 44 HZ PHE 44 -4.377 2.941 4.134 267 HB2 PHE 44 HB2 PHE 44 1.332 3.368 3.298 268 HB3 PHE 44 HB1 PHE 44 1.305 3.558 5.048 269 H LEU 45 HN LEU 45 3.553 4.560 3.360 270 HA LEU 45 HA LEU 45 4.932 5.020 5.756 271 HG LEU 45 HG LEU 45 4.825 2.759 3.655 272 HB2 LEU 45 HB2 LEU 45 6.000 4.812 2.940 273 HB3 LEU 45 HB1 LEU 45 6.983 4.739 4.390 274 HD11 LEU 45 HD11 LEU 45 7.079 1.330 3.646 275 HD12 LEU 45 HD12 LEU 45 7.732 2.884 3.128 276 HD13 LEU 45 HD13 LEU 45 6.440 2.118 2.204 277 HD21 LEU 45 HD23 LEU 45 6.675 3.021 5.999 278 HD22 LEU 45 HD21 LEU 45 6.042 1.452 5.503 279 HD23 LEU 45 HD22 LEU 45 4.935 2.738 5.983 280 H HIS 46 HN HIS 46 4.303 7.079 3.005 281 HA HIS 46 HA HIS 46 6.234 9.057 3.455 282 HD1 HIS 46 HD1 HIS 46 6.570 10.739 0.771 283 HD2 HIS 46 HD2 HIS 46 3.331 12.113 2.981 284 HE1 HIS 46 HE1 HIS 46 6.670 13.247 0.621 285 HE2 HIS 46 HE2 HIS 46 4.750 14.058 2.037 286 HB2 HIS 46 HB2 HIS 46 4.889 8.904 1.393 287 HB3 HIS 46 HB1 HIS 46 3.456 9.382 2.298 288 H VAL 47 HN VAL 47 3.026 8.581 4.829 289 HA VAL 47 HA VAL 47 2.968 11.081 6.215 290 HB VAL 47 HB VAL 47 1.350 8.614 6.851 291 HG11 VAL 47 HG11 VAL 47 1.495 10.770 8.358 292 HG12 VAL 47 HG12 VAL 47 -0.043 9.953 8.078 293 HG13 VAL 47 HG13 VAL 47 0.365 11.405 7.163 294 HG21 VAL 47 HG23 VAL 47 -0.329 10.128 5.394 295 HG22 VAL 47 HG21 VAL 47 0.656 8.835 4.711 296 HG23 VAL 47 HG22 VAL 47 1.195 10.510 4.595 297 H VAL 48 HN VAL 48 3.702 7.738 7.140 298 HA VAL 48 HA VAL 48 4.124 8.274 9.887 299 HB VAL 48 HB VAL 48 5.344 6.031 8.273 300 HG11 VAL 48 HG11 VAL 48 6.376 5.770 10.272 301 HG12 VAL 48 HG12 VAL 48 4.855 4.980 10.686 302 HG13 VAL 48 HG13 VAL 48 5.133 6.657 11.155 303 HG21 VAL 48 HG23 VAL 48 2.916 5.495 9.834 304 HG22 VAL 48 HG21 VAL 48 3.386 4.927 8.232 305 HG23 VAL 48 HG22 VAL 48 2.677 6.530 8.426 306 H LYS 49 HN LYS 49 6.230 8.310 7.070 307 HA LYS 49 HA LYS 49 8.652 8.611 8.559 308 HB2 LYS 49 HB2 LYS 49 8.330 7.751 6.137 309 HB3 LYS 49 HB1 LYS 49 8.308 9.453 5.695 310 HG2 LYS 49 HG2 LYS 49 10.548 8.433 7.368 311 HG3 LYS 49 HG1 LYS 49 10.529 8.070 5.641 312 HD2 LYS 49 HD2 LYS 49 9.969 10.872 6.362 313 HD3 LYS 49 HD1 LYS 49 11.606 10.309 6.706 314 HE2 LYS 49 HE2 LYS 49 10.475 9.621 4.058 315 HE3 LYS 49 HE1 LYS 49 10.879 11.314 4.337 316 HZ1 LYS 49 HZ3 LYS 49 12.891 10.624 3.643 317 HZ2 LYS 49 HZ1 LYS 49 12.628 9.009 4.075 318 HZ3 LYS 49 HZ2 LYS 49 13.074 10.138 5.252 319 H TYR 50 HN TYR 50 6.476 10.824 6.855 320 HA TYR 50 HA TYR 50 8.061 13.143 7.404 321 HD1 TYR 50 HD2 TYR 50 7.430 11.485 4.880 322 HD2 TYR 50 HD1 TYR 50 6.487 15.631 5.032 323 HE1 TYR 50 HE2 TYR 50 8.588 11.820 2.737 324 HE2 TYR 50 HE1 TYR 50 7.642 15.978 2.889 325 HH TYR 50 HH TYR 50 8.647 13.372 0.899 326 HB2 TYR 50 HB2 TYR 50 5.341 12.649 6.253 327 HB3 TYR 50 HB1 TYR 50 5.782 14.279 6.752 328 H GLU 51 HN GLU 51 4.688 12.572 8.381 329 HA GLU 51 HA GLU 51 5.265 12.982 11.163 330 HB2 GLU 51 HB2 GLU 51 3.751 15.014 11.313 331 HB3 GLU 51 HB1 GLU 51 5.344 15.285 10.618 332 HG2 GLU 51 HG2 GLU 51 4.515 15.863 8.622 333 HG3 GLU 51 HG1 GLU 51 3.264 14.621 8.667 334 H ALA 52 HN ALA 52 4.150 11.119 11.586 335 HA ALA 52 HA ALA 52 1.622 10.478 10.481 336 HB1 ALA 52 HB3 ALA 52 2.578 8.571 11.237 337 HB2 ALA 52 HB1 ALA 52 1.659 8.964 12.690 338 HB3 ALA 52 HB2 ALA 52 3.372 9.375 12.592 339 H GLN 53 HN GLN 53 -0.120 9.808 12.343 340 HA GLN 53 HA GLN 53 -1.041 12.367 13.336 341 HB2 GLN 53 HB2 GLN 53 -2.351 9.650 13.544 342 HB3 GLN 53 HB1 GLN 53 -3.116 11.204 13.849 343 HG2 GLN 53 HG2 GLN 53 -3.858 10.791 11.739 344 HG3 GLN 53 HG1 GLN 53 -2.385 11.692 11.379 345 HE21 GLN 53 HE21 GLN 53 -4.065 8.763 11.011 346 HE22 GLN 53 HE22 GLN 53 -2.841 7.891 10.159 347 H GLY 54 HN GLY 54 0.124 9.309 14.628 348 HA2 GLY 54 HA2 GLY 54 1.025 10.435 17.036 349 HA3 GLY 54 HA1 GLY 54 -0.552 9.717 17.326 350 H ASP 55 HN ASP 55 1.070 8.538 18.835 351 HA ASP 55 HA ASP 55 2.837 6.614 17.825 352 HB2 ASP 55 HB2 ASP 55 2.240 7.485 20.306 353 HB3 ASP 55 HB1 ASP 55 1.375 5.951 20.319 354 H LYS 56 HN LYS 56 -0.520 6.201 18.956 355 HA LYS 56 HA LYS 56 -0.745 3.496 18.234 356 HB2 LYS 56 HB2 LYS 56 -2.724 5.682 18.776 357 HB3 LYS 56 HB1 LYS 56 -3.280 4.125 18.175 358 HG2 LYS 56 HG2 LYS 56 -2.033 3.083 20.114 359 HG3 LYS 56 HG1 LYS 56 -1.862 4.719 20.754 360 HD2 LYS 56 HD2 LYS 56 -4.048 4.868 21.321 361 HD3 LYS 56 HD1 LYS 56 -4.582 3.932 19.923 362 HE2 LYS 56 HE2 LYS 56 -5.058 2.654 21.883 363 HE3 LYS 56 HE1 LYS 56 -3.705 1.887 21.053 364 HZ1 LYS 56 HZ3 LYS 56 -3.646 2.315 23.618 365 HZ2 LYS 56 HZ1 LYS 56 -3.121 3.852 23.146 366 HZ3 LYS 56 HZ2 LYS 56 -2.247 2.480 22.683 367 H ALA 57 HN ALA 57 -1.155 6.447 16.410 368 HA ALA 57 HA ALA 57 -2.499 5.291 14.186 369 HB1 ALA 57 HB3 ALA 57 -2.428 7.370 13.242 370 HB2 ALA 57 HB1 ALA 57 -0.803 7.708 13.837 371 HB3 ALA 57 HB2 ALA 57 -2.181 7.804 14.934 372 H LYS 58 HN LYS 58 0.900 6.030 14.873 373 HA LYS 58 HA LYS 58 1.955 5.318 12.379 374 HB2 LYS 58 HB2 LYS 58 3.207 5.188 15.127 375 HB3 LYS 58 HB1 LYS 58 4.098 4.995 13.624 376 HG2 LYS 58 HG2 LYS 58 3.932 7.211 13.075 377 HG3 LYS 58 HG1 LYS 58 2.446 7.440 14.000 378 HD2 LYS 58 HD2 LYS 58 3.810 7.129 16.084 379 HD3 LYS 58 HD1 LYS 58 5.251 7.166 15.066 380 HE2 LYS 58 HE2 LYS 58 3.328 9.378 14.700 381 HE3 LYS 58 HE1 LYS 58 4.197 9.346 16.234 382 HZ1 LYS 58 HZ3 LYS 58 5.550 9.174 13.602 383 HZ2 LYS 58 HZ1 LYS 58 6.262 9.441 15.114 384 HZ3 LYS 58 HZ2 LYS 58 5.290 10.635 14.414 385 H GLN 59 HN GLN 59 1.543 3.378 15.330 386 HA GLN 59 HA GLN 59 2.640 0.998 14.345 387 HB2 GLN 59 HB2 GLN 59 1.350 -0.110 16.152 388 HB3 GLN 59 HB1 GLN 59 2.246 1.296 16.710 389 HG2 GLN 59 HG2 GLN 59 0.239 2.627 16.725 390 HG3 GLN 59 HG1 GLN 59 -0.685 1.294 16.032 391 HE21 GLN 59 HE21 GLN 59 1.327 2.126 18.823 392 HE22 GLN 59 HE22 GLN 59 0.445 1.174 19.964 393 H SER 60 HN SER 60 -0.552 2.396 14.007 394 HA SER 60 HA SER 60 -1.896 0.101 13.070 395 HG SER 60 HG SER 60 -3.479 2.082 14.643 396 HB2 SER 60 HB2 SER 60 -2.400 3.026 13.067 397 HB3 SER 60 HB1 SER 60 -3.281 2.077 11.870 398 H ILE 61 HN ILE 61 -0.208 2.715 11.366 399 HA ILE 61 HA ILE 61 -0.750 1.688 8.763 400 HB ILE 61 HB ILE 61 1.484 3.561 9.540 401 HG12 ILE 61 HG12 ILE 61 -1.381 4.203 8.804 402 HG13 ILE 61 HG11 ILE 61 -0.660 4.398 10.398 403 HG21 ILE 61 HG21 ILE 61 1.289 4.351 7.242 404 HG22 ILE 61 HG22 ILE 61 0.006 3.180 6.940 405 HG23 ILE 61 HG23 ILE 61 1.642 2.624 7.289 406 HD11 ILE 61 HD13 ILE 61 0.898 6.053 9.455 407 HD12 ILE 61 HD11 ILE 61 -0.793 6.526 9.290 408 HD13 ILE 61 HD12 ILE 61 0.086 5.893 7.897 409 H ARG 62 HN ARG 62 1.847 1.285 11.087 410 HA ARG 62 HA ARG 62 3.770 0.131 9.411 411 HE ARG 62 HE ARG 62 6.607 -0.132 13.859 412 HB2 ARG 62 HB2 ARG 62 3.211 -0.062 12.355 413 HB3 ARG 62 HB1 ARG 62 4.484 -1.029 11.624 414 HG2 ARG 62 HG2 ARG 62 5.734 0.855 11.027 415 HG3 ARG 62 HG1 ARG 62 4.363 1.943 11.255 416 HD2 ARG 62 HD2 ARG 62 5.361 2.372 13.228 417 HD3 ARG 62 HD1 ARG 62 4.560 0.882 13.728 418 HH11 ARG 62 HH11 ARG 62 6.933 2.828 12.039 419 HH12 ARG 62 HH12 ARG 62 8.662 2.749 11.983 420 HH21 ARG 62 HH21 ARG 62 8.881 -0.236 13.786 421 HH22 ARG 62 HH22 ARG 62 9.768 1.010 12.974 422 H ALA 63 HN ALA 63 1.106 -1.322 11.230 423 HA ALA 63 HA ALA 63 1.759 -4.010 10.561 424 HB1 ALA 63 HB3 ALA 63 0.431 -3.998 12.406 425 HB2 ALA 63 HB1 ALA 63 -0.816 -4.234 11.181 426 HB3 ALA 63 HB2 ALA 63 -0.527 -2.627 11.846 427 H LYS 64 HN LYS 64 -0.296 -1.547 9.117 428 HA LYS 64 HA LYS 64 -1.491 -3.316 7.207 429 HB2 LYS 64 HB2 LYS 64 -1.363 -0.301 7.357 430 HB3 LYS 64 HB1 LYS 64 -2.276 -1.185 6.142 431 HG2 LYS 64 HG2 LYS 64 -3.264 -2.327 8.356 432 HG3 LYS 64 HG1 LYS 64 -2.856 -0.734 8.996 433 HD2 LYS 64 HD2 LYS 64 -4.433 -1.099 6.461 434 HD3 LYS 64 HD1 LYS 64 -5.199 -1.027 8.049 435 HE2 LYS 64 HE2 LYS 64 -4.424 1.184 8.419 436 HE3 LYS 64 HE1 LYS 64 -3.335 1.106 7.034 437 HZ1 LYS 64 HZ3 LYS 64 -5.408 2.393 6.650 438 HZ2 LYS 64 HZ1 LYS 64 -6.290 0.958 6.811 439 HZ3 LYS 64 HZ2 LYS 64 -5.175 1.129 5.551 440 H CYS 65 HN CYS 65 1.195 -1.025 7.185 441 HA CYS 65 HA CYS 65 1.736 -1.110 4.428 442 HG CYS 65 HG CYS 65 2.585 1.267 4.258 443 HB2 CYS 65 HB2 CYS 65 3.229 -0.292 6.866 444 HB3 CYS 65 HB1 CYS 65 4.172 -0.586 5.409 445 H THR 66 HN THR 66 2.587 -3.249 7.054 446 HA THR 66 HA THR 66 4.520 -4.727 5.503 447 HB THR 66 HB THR 66 4.783 -4.519 7.931 448 HG1 THR 66 HG1 THR 66 5.443 -6.473 6.752 449 HG21 THR 66 HG23 THR 66 3.320 -5.963 9.386 450 HG22 THR 66 HG21 THR 66 2.174 -5.994 8.046 451 HG23 THR 66 HG22 THR 66 2.603 -4.461 8.805 452 H GLU 67 HN GLU 67 1.132 -4.968 6.318 453 HA GLU 67 HA GLU 67 0.805 -7.671 5.456 454 HB2 GLU 67 HB2 GLU 67 -0.740 -6.621 7.049 455 HB3 GLU 67 HB1 GLU 67 -1.247 -5.479 5.812 456 HG2 GLU 67 HG2 GLU 67 -2.365 -7.119 4.586 457 HG3 GLU 67 HG1 GLU 67 -1.530 -8.433 5.414 458 H TYR 68 HN TYR 68 0.089 -4.513 3.991 459 HA TYR 68 HA TYR 68 -0.917 -5.554 1.561 460 HD1 TYR 68 HD1 TYR 68 -2.859 -4.763 1.544 461 HD2 TYR 68 HD2 TYR 68 -1.066 -1.351 3.346 462 HE1 TYR 68 HE1 TYR 68 -5.019 -4.170 2.557 463 HE2 TYR 68 HE2 TYR 68 -3.221 -0.750 4.365 464 HH TYR 68 HH TYR 68 -6.120 -1.987 3.403 465 HB2 TYR 68 HB2 TYR 68 0.279 -2.851 2.204 466 HB3 TYR 68 HB1 TYR 68 -0.538 -3.242 0.694 467 H LEU 69 HN LEU 69 2.303 -4.548 2.599 468 HA LEU 69 HA LEU 69 3.541 -4.759 0.062 469 HG LEU 69 HG LEU 69 4.104 -2.524 1.600 470 HB2 LEU 69 HB2 LEU 69 4.484 -4.617 2.886 471 HB3 LEU 69 HB1 LEU 69 5.624 -5.132 1.656 472 HD11 LEU 69 HD11 LEU 69 6.621 -1.757 1.909 473 HD12 LEU 69 HD12 LEU 69 6.725 -3.305 2.747 474 HD13 LEU 69 HD13 LEU 69 5.568 -2.088 3.284 475 HD21 LEU 69 HD23 LEU 69 6.171 -3.765 -0.185 476 HD22 LEU 69 HD21 LEU 69 5.939 -2.019 -0.112 477 HD23 LEU 69 HD22 LEU 69 4.612 -3.065 -0.617 478 H ASP 70 HN ASP 70 2.836 -7.065 2.592 479 HA ASP 70 HA ASP 70 4.555 -9.135 1.741 480 HB2 ASP 70 HB2 ASP 70 3.395 -9.008 3.967 481 HB3 ASP 70 HB1 ASP 70 1.900 -9.455 3.152 482 H ARG 71 HN ARG 71 1.069 -8.645 1.172 483 HA ARG 71 HA ARG 71 0.792 -10.820 -0.601 484 HE ARG 71 HE ARG 71 -3.225 -8.821 -1.321 485 HB2 ARG 71 HB2 ARG 71 -1.367 -9.806 -1.200 486 HB3 ARG 71 HB1 ARG 71 -1.130 -9.865 0.541 487 HG2 ARG 71 HG2 ARG 71 -0.341 -7.467 0.381 488 HG3 ARG 71 HG1 ARG 71 -0.954 -7.480 -1.273 489 HD2 ARG 71 HD2 ARG 71 -2.493 -7.857 1.284 490 HD3 ARG 71 HD1 ARG 71 -2.677 -6.579 0.084 491 HH11 ARG 71 HH11 ARG 71 -4.428 -7.549 1.697 492 HH12 ARG 71 HH12 ARG 71 -5.995 -8.264 1.519 493 HH21 ARG 71 HH21 ARG 71 -5.286 -9.763 -1.558 494 HH22 ARG 71 HH22 ARG 71 -6.482 -9.521 -0.329 495 H ALA 72 HN ALA 72 1.267 -7.355 -1.154 496 HA ALA 72 HA ALA 72 1.132 -7.413 -3.955 497 HB1 ALA 72 HB3 ALA 72 2.225 -5.249 -3.894 498 HB2 ALA 72 HB1 ALA 72 2.724 -5.523 -2.225 499 HB3 ALA 72 HB2 ALA 72 1.013 -5.353 -2.618 500 H GLU 73 HN GLU 73 3.850 -7.860 -1.739 501 HA GLU 73 HA GLU 73 5.911 -7.891 -3.634 502 HB2 GLU 73 HB2 GLU 73 5.567 -8.928 -0.864 503 HB3 GLU 73 HB1 GLU 73 6.928 -9.534 -1.797 504 HG2 GLU 73 HG2 GLU 73 6.617 -6.629 -1.885 505 HG3 GLU 73 HG1 GLU 73 6.940 -7.279 -0.279 506 H LYS 74 HN LYS 74 3.847 -10.490 -2.408 507 HA LYS 74 HA LYS 74 5.160 -12.560 -3.846 508 HB2 LYS 74 HB2 LYS 74 3.639 -12.770 -1.789 509 HB3 LYS 74 HB1 LYS 74 2.297 -12.650 -2.917 510 HG2 LYS 74 HG2 LYS 74 2.621 -14.720 -3.753 511 HG3 LYS 74 HG1 LYS 74 4.373 -14.650 -3.552 512 HD2 LYS 74 HD2 LYS 74 4.278 -15.310 -1.340 513 HD3 LYS 74 HD1 LYS 74 2.613 -14.760 -1.140 514 HE2 LYS 74 HE2 LYS 74 1.740 -16.630 -2.233 515 HE3 LYS 74 HE1 LYS 74 3.285 -17.030 -2.984 516 HZ1 LYS 74 HZ3 LYS 74 4.113 -17.500 -0.687 517 HZ2 LYS 74 HZ1 LYS 74 2.931 -18.570 -1.252 518 HZ3 LYS 74 HZ2 LYS 74 2.518 -17.370 -0.141 519 H LEU 75 HN LEU 75 2.320 -10.550 -4.472 520 HA LEU 75 HA LEU 75 1.394 -11.850 -6.765 521 HG LEU 75 HG LEU 75 -0.727 -11.330 -6.673 522 HB2 LEU 75 HB2 LEU 75 1.029 -9.235 -5.501 523 HB3 LEU 75 HB1 LEU 75 0.794 -9.225 -7.239 524 HD11 LEU 75 HD11 LEU 75 -0.266 -11.340 -4.299 525 HD12 LEU 75 HD12 LEU 75 -1.957 -10.930 -4.580 526 HD13 LEU 75 HD13 LEU 75 -0.800 -9.675 -4.158 527 HD21 LEU 75 HD23 LEU 75 -2.635 -9.871 -6.745 528 HD22 LEU 75 HD21 LEU 75 -1.385 -9.232 -7.812 529 HD23 LEU 75 HD22 LEU 75 -1.654 -8.499 -6.230 530 H LYS 76 HN LYS 76 3.576 -9.054 -6.498 531 HA LYS 76 HA LYS 76 4.082 -8.803 -9.252 532 HB2 LYS 76 HB2 LYS 76 6.013 -7.444 -8.586 533 HB3 LYS 76 HB1 LYS 76 4.579 -7.015 -7.663 534 HG2 LYS 76 HG2 LYS 76 5.418 -8.414 -5.799 535 HG3 LYS 76 HG1 LYS 76 6.896 -8.691 -6.724 536 HD2 LYS 76 HD2 LYS 76 6.733 -5.988 -6.821 537 HD3 LYS 76 HD1 LYS 76 6.001 -6.307 -5.247 538 HE2 LYS 76 HE2 LYS 76 7.969 -7.613 -4.602 539 HE3 LYS 76 HE1 LYS 76 8.699 -7.288 -6.173 540 HZ1 LYS 76 HZ3 LYS 76 9.206 -5.821 -4.050 541 HZ2 LYS 76 HZ1 LYS 76 7.846 -4.982 -4.604 542 HZ3 LYS 76 HZ2 LYS 76 9.193 -5.167 -5.609 543 H GLU 77 HN GLU 77 5.392 -10.910 -6.820 544 HA GLU 77 HA GLU 77 7.804 -11.640 -8.010 545 HB2 GLU 77 HB2 GLU 77 6.627 -12.300 -5.709 546 HB3 GLU 77 HB1 GLU 77 6.201 -13.740 -6.627 547 HG2 GLU 77 HG2 GLU 77 8.171 -14.380 -5.649 548 HG3 GLU 77 HG1 GLU 77 8.728 -13.790 -7.216 549 H TYR 78 HN TYR 78 4.628 -13.260 -8.270 550 HA TYR 78 HA TYR 78 5.590 -14.970 -10.380 551 HD1 TYR 78 HD2 TYR 78 1.953 -14.780 -11.690 552 HD2 TYR 78 HD1 TYR 78 2.251 -14.180 -7.491 553 HE1 TYR 78 HE2 TYR 78 -0.255 -13.700 -11.690 554 HE2 TYR 78 HE1 TYR 78 0.041 -13.100 -7.484 555 HH TYR 78 HH TYR 78 -2.140 -13.360 -9.884 556 HB2 TYR 78 HB2 TYR 78 3.553 -16.100 -10.220 557 HB3 TYR 78 HB1 TYR 78 3.831 -15.550 -8.582 558 H LEU 79 HN LEU 79 3.585 -12.090 -10.090 559 HA LEU 79 HA LEU 79 2.540 -12.040 -12.690 560 HG LEU 79 HG LEU 79 0.982 -11.410 -10.590 561 HB2 LEU 79 HB2 LEU 79 3.080 -9.962 -10.610 562 HB3 LEU 79 HB1 LEU 79 2.590 -9.462 -12.220 563 HD11 LEU 79 HD11 LEU 79 1.191 -8.487 -10.350 564 HD12 LEU 79 HD12 LEU 79 0.684 -9.693 -9.175 565 HD13 LEU 79 HD13 LEU 79 -0.442 -9.149 -10.410 566 HD21 LEU 79 HD23 LEU 79 0.658 -11.230 -13.080 567 HD22 LEU 79 HD21 LEU 79 0.135 -9.572 -12.810 568 HD23 LEU 79 HD22 LEU 79 -0.775 -10.900 -12.100 569 H LYS 80 HN LYS 80 5.650 -11.060 -11.420 570 HA LYS 80 HA LYS 80 6.443 -9.801 -13.900 571 HB2 LYS 80 HB2 LYS 80 7.146 -9.115 -11.500 572 HB3 LYS 80 HB1 LYS 80 8.304 -10.430 -11.630 573 HG2 LYS 80 HG2 LYS 80 9.639 -8.812 -12.430 574 HG3 LYS 80 HG1 LYS 80 8.795 -9.147 -13.940 575 HD2 LYS 80 HD2 LYS 80 7.141 -7.364 -13.280 576 HD3 LYS 80 HD1 LYS 80 8.236 -6.946 -11.970 577 HE2 LYS 80 HE2 LYS 80 9.451 -7.138 -14.650 578 HE3 LYS 80 HE1 LYS 80 8.319 -5.807 -14.410 579 HZ1 LYS 80 HZ3 LYS 80 10.725 -6.381 -12.760 580 HZ2 LYS 80 HZ1 LYS 80 9.614 -5.144 -12.450 581 HZ3 LYS 80 HZ2 LYS 80 10.543 -5.110 -13.860 582 H ASN 81 HN ASN 81 6.886 -12.830 -12.230 583 HA ASN 81 HA ASN 81 9.029 -13.780 -13.850 584 HB2 ASN 81 HB2 ASN 81 7.236 -14.930 -11.780 585 HB3 ASN 81 HB1 ASN 81 8.009 -16.060 -12.890 586 HD21 ASN 81 HD21 ASN 81 10.403 -15.680 -13.180 587 HD22 ASN 81 HD22 ASN 81 11.307 -15.330 -11.750 Start of MODEL 14 1 H ASN 10 HN ASN 10 -3.866 13.841 4.469 2 HA ASN 10 HA ASN 10 -3.143 12.282 2.146 3 HB2 ASN 10 HB2 ASN 10 -0.934 12.075 3.346 4 HB3 ASN 10 HB1 ASN 10 -1.443 13.727 3.007 5 HD21 ASN 10 HD21 ASN 10 -0.823 14.982 4.602 6 HD22 ASN 10 HD22 ASN 10 -0.966 14.634 6.288 7 H LEU 11 HN LEU 11 -3.998 11.724 5.492 8 HA LEU 11 HA LEU 11 -3.205 8.965 5.495 9 HG LEU 11 HG LEU 11 -4.770 7.785 7.437 10 HB2 LEU 11 HB2 LEU 11 -3.294 10.372 7.541 11 HB3 LEU 11 HB1 LEU 11 -5.041 10.426 7.394 12 HD11 LEU 11 HD11 LEU 11 -2.204 8.850 8.463 13 HD12 LEU 11 HD12 LEU 11 -2.555 7.333 7.636 14 HD13 LEU 11 HD13 LEU 11 -2.941 7.514 9.347 15 HD21 LEU 11 HD23 LEU 11 -6.142 8.915 9.003 16 HD22 LEU 11 HD21 LEU 11 -4.751 9.672 9.781 17 HD23 LEU 11 HD22 LEU 11 -5.014 7.935 9.941 18 H GLN 12 HN GLN 12 -6.228 10.741 5.083 19 HA GLN 12 HA GLN 12 -7.986 8.562 5.098 20 HB2 GLN 12 HB2 GLN 12 -8.067 11.343 4.044 21 HB3 GLN 12 HB1 GLN 12 -9.275 10.216 3.442 22 HG2 GLN 12 HG2 GLN 12 -8.951 10.179 6.346 23 HG3 GLN 12 HG1 GLN 12 -9.507 11.720 5.696 24 HE21 GLN 12 HE21 GLN 12 -10.440 8.724 6.767 25 HE22 GLN 12 HE22 GLN 12 -12.030 8.679 6.103 26 H LYS 13 HN LYS 13 -5.896 9.832 2.603 27 HA LYS 13 HA LYS 13 -7.091 8.291 0.487 28 HB2 LYS 13 HB2 LYS 13 -5.982 10.430 0.020 29 HB3 LYS 13 HB1 LYS 13 -4.456 9.771 0.592 30 HG2 LYS 13 HG2 LYS 13 -4.219 9.561 -1.676 31 HG3 LYS 13 HG1 LYS 13 -4.863 7.973 -1.251 32 HD2 LYS 13 HD2 LYS 13 -6.817 8.340 -2.318 33 HD3 LYS 13 HD1 LYS 13 -6.878 10.037 -1.838 34 HE2 LYS 13 HE2 LYS 13 -5.018 10.422 -3.525 35 HE3 LYS 13 HE1 LYS 13 -5.359 8.797 -4.118 36 HZ1 LYS 13 HZ3 LYS 13 -6.517 10.846 -5.181 37 HZ2 LYS 13 HZ1 LYS 13 -7.565 10.721 -3.857 38 HZ3 LYS 13 HZ2 LYS 13 -7.395 9.422 -4.928 39 H ALA 14 HN ALA 14 -4.294 8.000 2.609 40 HA ALA 14 HA ALA 14 -3.082 5.801 1.333 41 HB1 ALA 14 HB3 ALA 14 -2.138 7.359 3.148 42 HB2 ALA 14 HB1 ALA 14 -1.682 5.656 3.189 43 HB3 ALA 14 HB2 ALA 14 -2.919 6.265 4.289 44 H ILE 15 HN ILE 15 -5.520 6.012 3.884 45 HA ILE 15 HA ILE 15 -5.628 3.180 4.313 46 HB ILE 15 HB ILE 15 -7.708 5.223 5.092 47 HG12 ILE 15 HG12 ILE 15 -5.461 4.254 6.851 48 HG13 ILE 15 HG11 ILE 15 -5.289 5.688 5.842 49 HG21 ILE 15 HG21 ILE 15 -7.909 2.546 5.206 50 HG22 ILE 15 HG22 ILE 15 -8.672 3.631 6.369 51 HG23 ILE 15 HG23 ILE 15 -7.135 2.859 6.759 52 HD11 ILE 15 HD13 ILE 15 -6.023 5.915 8.318 53 HD12 ILE 15 HD11 ILE 15 -7.610 5.460 7.698 54 HD13 ILE 15 HD12 ILE 15 -6.800 6.899 7.078 55 H ASP 16 HN ASP 16 -7.403 5.506 2.370 56 HA ASP 16 HA ASP 16 -9.598 3.914 1.674 57 HB2 ASP 16 HB2 ASP 16 -9.270 6.402 1.239 58 HB3 ASP 16 HB1 ASP 16 -8.301 5.934 -0.155 59 H LEU 17 HN LEU 17 -6.483 4.364 0.018 60 HA LEU 17 HA LEU 17 -7.041 2.548 -2.083 61 HG LEU 17 HG LEU 17 -6.184 5.094 -2.300 62 HB2 LEU 17 HB2 LEU 17 -4.420 3.564 -0.987 63 HB3 LEU 17 HB1 LEU 17 -4.568 2.607 -2.449 64 HD11 LEU 17 HD11 LEU 17 -4.107 6.291 -3.237 65 HD12 LEU 17 HD12 LEU 17 -3.193 5.022 -2.422 66 HD13 LEU 17 HD13 LEU 17 -4.246 6.087 -1.491 67 HD21 LEU 17 HD23 LEU 17 -4.491 4.369 -4.610 68 HD22 LEU 17 HD21 LEU 17 -6.154 4.953 -4.558 69 HD23 LEU 17 HD22 LEU 17 -5.804 3.260 -4.214 70 H ALA 18 HN ALA 18 -5.518 2.205 1.073 71 HA ALA 18 HA ALA 18 -4.467 -0.370 0.766 72 HB1 ALA 18 HB3 ALA 18 -3.675 0.530 2.687 73 HB2 ALA 18 HB1 ALA 18 -5.029 -0.360 3.384 74 HB3 ALA 18 HB2 ALA 18 -5.186 1.364 3.049 75 H SER 19 HN SER 19 -7.709 0.734 1.521 76 HA SER 19 HA SER 19 -8.678 -1.895 2.187 77 HG SER 19 HG SER 19 -10.520 0.302 4.035 78 HB2 SER 19 HB2 SER 19 -9.826 0.840 2.024 79 HB3 SER 19 HB1 SER 19 -10.940 -0.504 1.799 80 H LYS 20 HN LYS 20 -8.846 0.278 -0.596 81 HA LYS 20 HA LYS 20 -10.560 -1.380 -2.140 82 HB2 LYS 20 HB2 LYS 20 -8.709 0.886 -2.861 83 HB3 LYS 20 HB1 LYS 20 -9.681 0.045 -4.060 84 HG2 LYS 20 HG2 LYS 20 -11.710 0.726 -2.959 85 HG3 LYS 20 HG1 LYS 20 -10.790 1.460 -1.645 86 HD2 LYS 20 HD2 LYS 20 -11.050 3.346 -2.851 87 HD3 LYS 20 HD1 LYS 20 -9.697 2.710 -3.780 88 HE2 LYS 20 HE2 LYS 20 -11.500 3.433 -5.247 89 HE3 LYS 20 HE1 LYS 20 -11.240 1.694 -5.367 90 HZ1 LYS 20 HZ3 LYS 20 -13.250 2.691 -3.478 91 HZ2 LYS 20 HZ1 LYS 20 -13.210 1.231 -4.333 92 HZ3 LYS 20 HZ2 LYS 20 -13.630 2.663 -5.126 93 H ALA 21 HN ALA 21 -7.046 -0.905 -2.084 94 HA ALA 21 HA ALA 21 -6.402 -2.626 -4.196 95 HB1 ALA 21 HB3 ALA 21 -4.177 -2.484 -3.477 96 HB2 ALA 21 HB1 ALA 21 -4.644 -2.241 -1.794 97 HB3 ALA 21 HB2 ALA 21 -4.903 -0.957 -2.975 98 H ALA 22 HN ALA 22 -6.590 -3.262 -0.702 99 HA ALA 22 HA ALA 22 -5.838 -5.958 -0.787 100 HB1 ALA 22 HB3 ALA 22 -7.712 -4.645 1.179 101 HB2 ALA 22 HB1 ALA 22 -5.951 -4.610 1.274 102 HB3 ALA 22 HB2 ALA 22 -6.812 -6.142 1.421 103 H GLN 23 HN GLN 23 -8.936 -4.396 -1.313 104 HA GLN 23 HA GLN 23 -10.410 -6.864 -1.348 105 HB2 GLN 23 HB2 GLN 23 -11.050 -3.989 -1.875 106 HB3 GLN 23 HB1 GLN 23 -12.160 -5.227 -2.433 107 HG2 GLN 23 HG2 GLN 23 -12.090 -6.106 -0.030 108 HG3 GLN 23 HG1 GLN 23 -11.360 -4.549 0.371 109 HE21 GLN 23 HE21 GLN 23 -14.150 -5.959 -1.301 110 HE22 GLN 23 HE22 GLN 23 -15.270 -4.729 -0.838 111 H GLU 24 HN GLU 24 -8.955 -4.715 -3.711 112 HA GLU 24 HA GLU 24 -10.130 -5.786 -6.024 113 HB2 GLU 24 HB2 GLU 24 -7.570 -4.308 -5.517 114 HB3 GLU 24 HB1 GLU 24 -7.977 -4.893 -7.124 115 HG2 GLU 24 HG2 GLU 24 -9.829 -3.143 -5.542 116 HG3 GLU 24 HG1 GLU 24 -8.564 -2.489 -6.582 117 H ASP 25 HN ASP 25 -6.980 -6.493 -4.533 118 HA ASP 25 HA ASP 25 -6.237 -8.527 -6.315 119 HB2 ASP 25 HB2 ASP 25 -4.838 -7.280 -4.514 120 HB3 ASP 25 HB1 ASP 25 -5.408 -8.543 -3.426 121 H LYS 26 HN LYS 26 -7.849 -8.702 -3.153 122 HA LYS 26 HA LYS 26 -8.052 -11.500 -3.039 123 HB2 LYS 26 HB2 LYS 26 -8.511 -9.632 -1.241 124 HB3 LYS 26 HB1 LYS 26 -10.160 -9.763 -1.829 125 HG2 LYS 26 HG2 LYS 26 -10.140 -12.150 -1.308 126 HG3 LYS 26 HG1 LYS 26 -8.503 -12.000 -0.692 127 HD2 LYS 26 HD2 LYS 26 -9.583 -11.740 1.281 128 HD3 LYS 26 HD1 LYS 26 -9.695 -10.070 0.736 129 HE2 LYS 26 HE2 LYS 26 -11.830 -11.880 -0.186 130 HE3 LYS 26 HE1 LYS 26 -11.810 -11.530 1.542 131 HZ1 LYS 26 HZ3 LYS 26 -11.740 -9.428 -0.547 132 HZ2 LYS 26 HZ1 LYS 26 -11.990 -9.221 1.115 133 HZ3 LYS 26 HZ2 LYS 26 -13.170 -9.980 0.176 134 H ALA 27 HN ALA 27 -10.000 -9.073 -4.618 135 HA ALA 27 HA ALA 27 -12.230 -10.770 -5.146 136 HB1 ALA 27 HB3 ALA 27 -13.090 -8.994 -6.457 137 HB2 ALA 27 HB1 ALA 27 -11.490 -8.280 -6.660 138 HB3 ALA 27 HB2 ALA 27 -12.280 -8.254 -5.080 139 H GLY 28 HN GLY 28 -9.450 -9.681 -7.059 140 HA2 GLY 28 HA2 GLY 28 -8.844 -11.910 -8.422 141 HA3 GLY 28 HA1 GLY 28 -10.240 -11.320 -9.312 142 H ASN 29 HN ASN 29 -9.502 -8.506 -8.754 143 HA ASN 29 HA ASN 29 -7.840 -8.126 -11.050 144 HB2 ASN 29 HB2 ASN 29 -8.843 -6.097 -9.046 145 HB3 ASN 29 HB1 ASN 29 -8.144 -5.733 -10.620 146 HD21 ASN 29 HD21 ASN 29 -10.520 -4.699 -10.140 147 HD22 ASN 29 HD22 ASN 29 -11.770 -5.534 -11.000 148 H TYR 30 HN TYR 30 -5.700 -8.078 -11.100 149 HA TYR 30 HA TYR 30 -4.248 -7.596 -8.588 150 HD1 TYR 30 HD1 TYR 30 -5.731 -9.947 -9.115 151 HD2 TYR 30 HD2 TYR 30 -1.526 -10.500 -8.801 152 HE1 TYR 30 HE1 TYR 30 -6.103 -11.830 -7.579 153 HE2 TYR 30 HE2 TYR 30 -1.885 -12.390 -7.265 154 HH TYR 30 HH TYR 30 -3.657 -13.180 -5.699 155 HB2 TYR 30 HB2 TYR 30 -3.640 -9.264 -11.000 156 HB3 TYR 30 HB1 TYR 30 -2.327 -8.685 -9.986 157 H GLU 31 HN GLU 31 -4.480 -6.697 -11.970 158 HA GLU 31 HA GLU 31 -2.197 -5.086 -12.150 159 HB2 GLU 31 HB2 GLU 31 -4.772 -5.286 -13.640 160 HB3 GLU 31 HB1 GLU 31 -3.801 -3.841 -13.880 161 HG2 GLU 31 HG2 GLU 31 -1.909 -5.218 -14.560 162 HG3 GLU 31 HG1 GLU 31 -2.865 -6.674 -14.290 163 H GLU 32 HN GLU 32 -5.571 -4.079 -11.570 164 HA GLU 32 HA GLU 32 -4.930 -1.393 -10.990 165 HB2 GLU 32 HB2 GLU 32 -7.215 -2.505 -11.580 166 HB3 GLU 32 HB1 GLU 32 -7.346 -2.753 -9.850 167 HG2 GLU 32 HG2 GLU 32 -8.294 -0.739 -9.827 168 HG3 GLU 32 HG1 GLU 32 -6.649 -0.124 -9.982 169 H ALA 33 HN ALA 33 -5.164 -4.273 -9.008 170 HA ALA 33 HA ALA 33 -5.135 -2.984 -6.490 171 HB1 ALA 33 HB3 ALA 33 -4.762 -5.740 -7.481 172 HB2 ALA 33 HB1 ALA 33 -5.785 -5.127 -6.182 173 HB3 ALA 33 HB2 ALA 33 -4.061 -5.371 -5.905 174 H LEU 34 HN LEU 34 -2.575 -4.207 -8.598 175 HA LEU 34 HA LEU 34 -0.419 -3.883 -6.841 176 HG LEU 34 HG LEU 34 1.614 -2.759 -9.117 177 HB2 LEU 34 HB2 LEU 34 -0.230 -5.142 -8.909 178 HB3 LEU 34 HB1 LEU 34 -0.507 -3.690 -9.851 179 HD11 LEU 34 HD11 LEU 34 2.143 -3.422 -7.016 180 HD12 LEU 34 HD12 LEU 34 3.102 -4.605 -7.905 181 HD13 LEU 34 HD13 LEU 34 1.526 -5.056 -7.254 182 HD21 LEU 34 HD23 LEU 34 2.073 -5.601 -9.994 183 HD22 LEU 34 HD21 LEU 34 3.071 -4.187 -10.320 184 HD23 LEU 34 HD22 LEU 34 1.478 -4.338 -11.070 185 H GLN 35 HN GLN 35 -1.867 -1.635 -9.167 186 HA GLN 35 HA GLN 35 -0.007 0.458 -8.756 187 HB2 GLN 35 HB2 GLN 35 -2.849 0.496 -9.783 188 HB3 GLN 35 HB1 GLN 35 -1.780 1.892 -9.802 189 HG2 GLN 35 HG2 GLN 35 -0.216 0.102 -11.040 190 HG3 GLN 35 HG1 GLN 35 -1.805 -0.502 -11.510 191 HE21 GLN 35 HE21 GLN 35 0.484 2.070 -11.800 192 HE22 GLN 35 HE22 GLN 35 -0.325 2.932 -13.060 193 H LEU 36 HN LEU 36 -3.116 -0.331 -7.276 194 HA LEU 36 HA LEU 36 -3.313 2.035 -5.721 195 HG LEU 36 HG LEU 36 -5.109 0.702 -7.447 196 HB2 LEU 36 HB2 LEU 36 -4.559 -0.674 -5.243 197 HB3 LEU 36 HB1 LEU 36 -5.042 0.824 -4.471 198 HD11 LEU 36 HD11 LEU 36 -6.887 -0.667 -7.635 199 HD12 LEU 36 HD12 LEU 36 -7.560 -0.184 -6.077 200 HD13 LEU 36 HD13 LEU 36 -6.248 -1.361 -6.145 201 HD21 LEU 36 HD23 LEU 36 -6.940 2.225 -7.168 202 HD22 LEU 36 HD21 LEU 36 -5.603 2.767 -6.153 203 HD23 LEU 36 HD22 LEU 36 -6.978 1.933 -5.429 204 H TYR 37 HN TYR 37 -1.940 -1.158 -5.136 205 HA TYR 37 HA TYR 37 -1.478 -0.918 -2.386 206 HD1 TYR 37 HD1 TYR 37 -2.121 -2.540 -1.412 207 HD2 TYR 37 HD2 TYR 37 -1.073 -4.576 -4.998 208 HE1 TYR 37 HE1 TYR 37 -3.836 -4.238 -0.942 209 HE2 TYR 37 HE2 TYR 37 -2.786 -6.279 -4.538 210 HH TYR 37 HH TYR 37 -3.956 -7.099 -2.090 211 HB2 TYR 37 HB2 TYR 37 -0.115 -2.504 -4.553 212 HB3 TYR 37 HB1 TYR 37 0.422 -2.584 -2.878 213 H GLN 38 HN GLN 38 0.593 -0.084 -5.147 214 HA GLN 38 HA GLN 38 2.836 0.738 -3.687 215 HB2 GLN 38 HB2 GLN 38 1.844 1.706 -6.374 216 HB3 GLN 38 HB1 GLN 38 3.450 2.009 -5.726 217 HG2 GLN 38 HG2 GLN 38 3.977 -0.327 -5.780 218 HG3 GLN 38 HG1 GLN 38 2.324 -0.733 -6.237 219 HE21 GLN 38 HE21 GLN 38 1.693 -0.544 -8.337 220 HE22 GLN 38 HE22 GLN 38 2.772 -0.154 -9.629 221 H HIS 39 HN HIS 39 -0.035 2.515 -4.729 222 HA HIS 39 HA HIS 39 0.822 5.077 -3.938 223 HD1 HIS 39 HD1 HIS 39 -3.066 5.665 -6.272 224 HD2 HIS 39 HD2 HIS 39 1.073 5.326 -6.142 225 HE1 HIS 39 HE1 HIS 39 -2.249 6.561 -8.474 226 HE2 HIS 39 HE2 HIS 39 0.252 6.267 -8.407 227 HB2 HIS 39 HB2 HIS 39 -1.853 3.828 -4.453 228 HB3 HIS 39 HB1 HIS 39 -1.766 5.442 -3.756 229 H ALA 40 HN ALA 40 -0.769 2.470 -2.196 230 HA ALA 40 HA ALA 40 -1.517 3.860 0.109 231 HB1 ALA 40 HB3 ALA 40 -0.865 0.992 -0.444 232 HB2 ALA 40 HB1 ALA 40 -2.420 1.733 -0.063 233 HB3 ALA 40 HB2 ALA 40 -1.206 1.533 1.200 234 H VAL 41 HN VAL 41 1.478 2.058 -0.573 235 HA VAL 41 HA VAL 41 2.724 2.594 1.895 236 HB VAL 41 HB VAL 41 4.130 2.117 -0.733 237 HG11 VAL 41 HG11 VAL 41 5.195 0.981 1.750 238 HG12 VAL 41 HG12 VAL 41 5.198 2.743 1.691 239 HG13 VAL 41 HG13 VAL 41 6.022 1.818 0.436 240 HG21 VAL 41 HG23 VAL 41 2.875 0.166 1.186 241 HG22 VAL 41 HG21 VAL 41 4.088 -0.296 -0.009 242 HG23 VAL 41 HG22 VAL 41 2.539 0.366 -0.534 243 H GLN 42 HN GLN 42 2.637 4.357 -1.148 244 HA GLN 42 HA GLN 42 4.678 6.212 -0.570 245 HB2 GLN 42 HB2 GLN 42 2.368 6.142 -2.468 246 HB3 GLN 42 HB1 GLN 42 3.247 7.648 -2.249 247 HG2 GLN 42 HG2 GLN 42 5.328 6.071 -2.658 248 HG3 GLN 42 HG1 GLN 42 4.116 5.104 -3.496 249 HE21 GLN 42 HE21 GLN 42 6.389 7.395 -3.926 250 HE22 GLN 42 HE22 GLN 42 5.775 8.170 -5.343 251 H TYR 43 HN TYR 43 1.168 6.329 -0.071 252 HA TYR 43 HA TYR 43 1.211 8.948 1.076 253 HD1 TYR 43 HD2 TYR 43 -0.370 10.346 0.025 254 HD2 TYR 43 HD1 TYR 43 -1.740 6.470 -1.067 255 HE1 TYR 43 HE2 TYR 43 -1.022 11.206 -2.184 256 HE2 TYR 43 HE1 TYR 43 -2.395 7.318 -3.280 257 HH TYR 43 HH TYR 43 -1.418 10.357 -4.447 258 HB2 TYR 43 HB2 TYR 43 -0.899 6.785 1.048 259 HB3 TYR 43 HB1 TYR 43 -1.151 8.383 1.742 260 H PHE 44 HN PHE 44 1.258 5.662 2.329 261 HA PHE 44 HA PHE 44 0.836 6.310 5.046 262 HD1 PHE 44 HD1 PHE 44 -0.378 5.122 6.245 263 HD2 PHE 44 HD2 PHE 44 0.356 2.412 3.047 264 HE1 PHE 44 HE1 PHE 44 -2.664 4.240 6.473 265 HE2 PHE 44 HE2 PHE 44 -1.928 1.526 3.268 266 HZ PHE 44 HZ PHE 44 -3.442 2.440 4.982 267 HB2 PHE 44 HB2 PHE 44 1.971 3.943 3.600 268 HB3 PHE 44 HB1 PHE 44 2.108 4.039 5.352 269 H LEU 45 HN LEU 45 3.816 5.728 3.193 270 HA LEU 45 HA LEU 45 5.595 6.167 5.331 271 HG LEU 45 HG LEU 45 5.588 4.112 3.096 272 HB2 LEU 45 HB2 LEU 45 5.959 6.425 2.349 273 HB3 LEU 45 HB1 LEU 45 7.274 6.584 3.497 274 HD11 LEU 45 HD11 LEU 45 7.188 3.273 1.740 275 HD12 LEU 45 HD12 LEU 45 8.491 4.132 2.562 276 HD13 LEU 45 HD13 LEU 45 7.470 4.981 1.401 277 HD21 LEU 45 HD23 LEU 45 7.457 3.109 4.513 278 HD22 LEU 45 HD21 LEU 45 6.251 4.091 5.345 279 HD23 LEU 45 HD22 LEU 45 7.837 4.769 4.974 280 H HIS 46 HN HIS 46 4.041 8.337 3.059 281 HA HIS 46 HA HIS 46 5.620 10.621 3.576 282 HD1 HIS 46 HD1 HIS 46 5.284 12.628 1.048 283 HD2 HIS 46 HD2 HIS 46 2.178 13.015 3.781 284 HE1 HIS 46 HE1 HIS 46 4.863 15.100 1.241 285 HE2 HIS 46 HE2 HIS 46 3.038 15.314 2.965 286 HB2 HIS 46 HB2 HIS 46 4.147 10.418 1.610 287 HB3 HIS 46 HB1 HIS 46 2.739 10.468 2.665 288 H VAL 47 HN VAL 47 2.871 9.204 5.201 289 HA VAL 47 HA VAL 47 2.372 11.498 6.867 290 HB VAL 47 HB VAL 47 1.396 8.668 7.271 291 HG11 VAL 47 HG11 VAL 47 1.254 10.728 9.011 292 HG12 VAL 47 HG12 VAL 47 0.049 9.443 8.904 293 HG13 VAL 47 HG13 VAL 47 -0.229 10.983 8.090 294 HG21 VAL 47 HG23 VAL 47 0.894 10.172 5.054 295 HG22 VAL 47 HG21 VAL 47 -0.446 10.628 6.106 296 HG23 VAL 47 HG22 VAL 47 -0.183 8.933 5.697 297 H VAL 48 HN VAL 48 3.685 8.231 7.427 298 HA VAL 48 HA VAL 48 4.376 8.657 10.126 299 HB VAL 48 HB VAL 48 5.735 6.741 8.230 300 HG11 VAL 48 HG11 VAL 48 6.625 7.225 10.605 301 HG12 VAL 48 HG12 VAL 48 6.419 5.547 10.101 302 HG13 VAL 48 HG13 VAL 48 5.220 6.308 11.148 303 HG21 VAL 48 HG23 VAL 48 3.912 5.216 9.485 304 HG22 VAL 48 HG21 VAL 48 3.632 5.972 7.917 305 HG23 VAL 48 HG22 VAL 48 3.019 6.734 9.384 306 H LYS 49 HN LYS 49 6.196 9.052 7.119 307 HA LYS 49 HA LYS 49 8.693 9.613 8.309 308 HB2 LYS 49 HB2 LYS 49 8.317 8.988 5.909 309 HB3 LYS 49 HB1 LYS 49 7.686 10.606 5.639 310 HG2 LYS 49 HG2 LYS 49 10.029 11.254 6.736 311 HG3 LYS 49 HG1 LYS 49 10.466 9.694 6.038 312 HD2 LYS 49 HD2 LYS 49 10.036 10.401 3.868 313 HD3 LYS 49 HD1 LYS 49 8.994 11.722 4.401 314 HE2 LYS 49 HE2 LYS 49 11.240 12.420 3.521 315 HE3 LYS 49 HE1 LYS 49 10.854 13.002 5.140 316 HZ1 LYS 49 HZ3 LYS 49 12.387 10.510 4.762 317 HZ2 LYS 49 HZ1 LYS 49 12.337 11.533 6.109 318 HZ3 LYS 49 HZ2 LYS 49 13.162 12.012 4.713 319 H TYR 50 HN TYR 50 6.043 11.705 7.236 320 HA TYR 50 HA TYR 50 7.390 14.134 7.898 321 HD1 TYR 50 HD2 TYR 50 6.597 12.721 5.318 322 HD2 TYR 50 HD1 TYR 50 5.090 16.617 6.127 323 HE1 TYR 50 HE2 TYR 50 7.321 13.458 3.087 324 HE2 TYR 50 HE1 TYR 50 5.809 17.364 3.898 325 HH TYR 50 HH TYR 50 6.320 16.401 1.708 326 HB2 TYR 50 HB2 TYR 50 4.589 13.405 7.120 327 HB3 TYR 50 HB1 TYR 50 4.921 15.010 7.763 328 H GLU 51 HN GLU 51 4.387 12.822 9.303 329 HA GLU 51 HA GLU 51 5.295 12.867 11.971 330 HB2 GLU 51 HB2 GLU 51 3.795 14.803 12.705 331 HB3 GLU 51 HB1 GLU 51 5.319 15.218 11.933 332 HG2 GLU 51 HG2 GLU 51 4.221 15.727 9.877 333 HG3 GLU 51 HG1 GLU 51 2.688 15.102 10.484 334 H ALA 52 HN ALA 52 4.239 10.885 12.004 335 HA ALA 52 HA ALA 52 1.563 10.470 11.228 336 HB1 ALA 52 HB3 ALA 52 2.803 8.522 11.376 337 HB2 ALA 52 HB1 ALA 52 1.808 8.445 12.830 338 HB3 ALA 52 HB2 ALA 52 3.492 8.957 12.941 339 H GLN 53 HN GLN 53 0.073 9.406 13.091 340 HA GLN 53 HA GLN 53 -0.895 11.590 14.588 341 HB2 GLN 53 HB2 GLN 53 -1.500 8.652 14.965 342 HB3 GLN 53 HB1 GLN 53 -2.465 9.994 15.564 343 HG2 GLN 53 HG2 GLN 53 -2.454 10.622 12.975 344 HG3 GLN 53 HG1 GLN 53 -2.246 8.877 12.838 345 HE21 GLN 53 HE21 GLN 53 -4.330 8.911 11.804 346 HE22 GLN 53 HE22 GLN 53 -5.765 8.933 12.766 347 H GLY 54 HN GLY 54 0.393 8.497 15.827 348 HA2 GLY 54 HA2 GLY 54 1.847 9.954 17.896 349 HA3 GLY 54 HA1 GLY 54 0.592 8.852 18.444 350 H ASP 55 HN ASP 55 2.265 7.696 19.562 351 HA ASP 55 HA ASP 55 4.405 6.458 18.133 352 HB2 ASP 55 HB2 ASP 55 4.076 6.989 20.720 353 HB3 ASP 55 HB1 ASP 55 3.453 5.342 20.729 354 H LYS 56 HN LYS 56 1.502 5.097 19.702 355 HA LYS 56 HA LYS 56 1.784 2.512 18.663 356 HB2 LYS 56 HB2 LYS 56 -0.660 4.019 19.595 357 HB3 LYS 56 HB1 LYS 56 -0.686 2.316 19.158 358 HG2 LYS 56 HG2 LYS 56 1.273 2.174 20.903 359 HG3 LYS 56 HG1 LYS 56 0.533 3.654 21.515 360 HD2 LYS 56 HD2 LYS 56 -1.653 2.087 21.181 361 HD3 LYS 56 HD1 LYS 56 -0.436 0.877 21.594 362 HE2 LYS 56 HE2 LYS 56 -0.226 1.620 23.716 363 HE3 LYS 56 HE1 LYS 56 -0.439 3.309 23.257 364 HZ1 LYS 56 HZ3 LYS 56 -2.254 2.118 24.636 365 HZ2 LYS 56 HZ1 LYS 56 -2.734 1.472 23.148 366 HZ3 LYS 56 HZ2 LYS 56 -2.715 3.147 23.375 367 H ALA 57 HN ALA 57 0.377 5.410 17.312 368 HA ALA 57 HA ALA 57 -1.107 4.244 15.227 369 HB1 ALA 57 HB3 ALA 57 -0.823 6.760 16.140 370 HB2 ALA 57 HB1 ALA 57 -1.530 6.363 14.574 371 HB3 ALA 57 HB2 ALA 57 0.162 6.849 14.680 372 H LYS 58 HN LYS 58 2.240 5.425 15.336 373 HA LYS 58 HA LYS 58 2.882 4.978 12.650 374 HB2 LYS 58 HB2 LYS 58 4.671 4.868 15.085 375 HB3 LYS 58 HB1 LYS 58 5.239 4.949 13.423 376 HG2 LYS 58 HG2 LYS 58 4.650 7.144 13.180 377 HG3 LYS 58 HG1 LYS 58 3.366 7.047 14.386 378 HD2 LYS 58 HD2 LYS 58 5.115 6.836 16.143 379 HD3 LYS 58 HD1 LYS 58 6.338 7.101 14.899 380 HE2 LYS 58 HE2 LYS 58 5.853 9.312 14.701 381 HE3 LYS 58 HE1 LYS 58 4.144 9.080 15.063 382 HZ1 LYS 58 HZ3 LYS 58 6.003 8.578 17.243 383 HZ2 LYS 58 HZ1 LYS 58 4.485 9.325 17.264 384 HZ3 LYS 58 HZ2 LYS 58 5.847 10.190 16.758 385 H GLN 59 HN GLN 59 3.116 2.846 15.466 386 HA GLN 59 HA GLN 59 4.410 0.699 14.214 387 HB2 GLN 59 HB2 GLN 59 2.739 1.034 16.654 388 HB3 GLN 59 HB1 GLN 59 2.993 -0.603 16.064 389 HG2 GLN 59 HG2 GLN 59 5.520 0.388 15.999 390 HG3 GLN 59 HG1 GLN 59 4.844 1.236 17.388 391 HE21 GLN 59 HE21 GLN 59 3.979 -0.019 19.119 392 HE22 GLN 59 HE22 GLN 59 4.551 -1.624 19.405 393 H SER 60 HN SER 60 1.045 1.663 14.285 394 HA SER 60 HA SER 60 0.000 -0.768 13.230 395 HG SER 60 HG SER 60 -2.111 -0.731 13.892 396 HB2 SER 60 HB2 SER 60 -1.154 1.340 14.427 397 HB3 SER 60 HB1 SER 60 -1.453 1.781 12.746 398 H ILE 61 HN ILE 61 0.839 2.367 11.789 399 HA ILE 61 HA ILE 61 0.105 1.631 9.143 400 HB ILE 61 HB ILE 61 2.066 3.780 9.946 401 HG12 ILE 61 HG12 ILE 61 -0.945 3.937 9.669 402 HG13 ILE 61 HG11 ILE 61 -0.044 4.040 11.179 403 HG21 ILE 61 HG21 ILE 61 0.490 3.200 7.464 404 HG22 ILE 61 HG22 ILE 61 2.216 3.519 7.636 405 HG23 ILE 61 HG23 ILE 61 1.054 4.831 7.830 406 HD11 ILE 61 HD13 ILE 61 -0.855 6.212 10.167 407 HD12 ILE 61 HD11 ILE 61 0.380 5.977 8.930 408 HD13 ILE 61 HD12 ILE 61 0.847 6.136 10.624 409 H ARG 62 HN ARG 62 3.069 1.419 11.008 410 HA ARG 62 HA ARG 62 4.879 0.932 8.933 411 HE ARG 62 HE ARG 62 6.522 3.333 13.640 412 HB2 ARG 62 HB2 ARG 62 4.810 0.229 11.844 413 HB3 ARG 62 HB1 ARG 62 6.079 -0.432 10.822 414 HG2 ARG 62 HG2 ARG 62 6.865 1.755 10.267 415 HG3 ARG 62 HG1 ARG 62 5.489 2.507 11.075 416 HD2 ARG 62 HD2 ARG 62 6.426 1.103 13.127 417 HD3 ARG 62 HD1 ARG 62 7.930 1.268 12.222 418 HH11 ARG 62 HH11 ARG 62 8.777 2.662 11.063 419 HH12 ARG 62 HH12 ARG 62 9.505 4.233 11.122 420 HH21 ARG 62 HH21 ARG 62 7.478 5.398 13.720 421 HH22 ARG 62 HH22 ARG 62 8.767 5.786 12.631 422 H ALA 63 HN ALA 63 3.003 -1.363 10.900 423 HA ALA 63 HA ALA 63 3.945 -3.687 9.598 424 HB1 ALA 63 HB3 ALA 63 3.017 -4.194 11.627 425 HB2 ALA 63 HB1 ALA 63 1.669 -4.596 10.563 426 HB3 ALA 63 HB2 ALA 63 1.683 -3.058 11.426 427 H LYS 64 HN LYS 64 1.327 -1.464 8.922 428 HA LYS 64 HA LYS 64 0.068 -3.140 6.964 429 HB2 LYS 64 HB2 LYS 64 -0.236 -0.228 7.687 430 HB3 LYS 64 HB1 LYS 64 -1.147 -0.980 6.385 431 HG2 LYS 64 HG2 LYS 64 -1.919 -2.670 8.132 432 HG3 LYS 64 HG1 LYS 64 -1.285 -1.536 9.327 433 HD2 LYS 64 HD2 LYS 64 -3.365 -0.903 7.233 434 HD3 LYS 64 HD1 LYS 64 -3.688 -1.212 8.940 435 HE2 LYS 64 HE2 LYS 64 -2.627 0.764 9.615 436 HE3 LYS 64 HE1 LYS 64 -1.804 0.953 8.067 437 HZ1 LYS 64 HZ3 LYS 64 -3.610 2.513 8.241 438 HZ2 LYS 64 HZ1 LYS 64 -4.716 1.272 8.556 439 HZ3 LYS 64 HZ2 LYS 64 -3.973 1.378 7.040 440 H CYS 65 HN CYS 65 2.296 -0.395 6.894 441 HA CYS 65 HA CYS 65 2.344 0.013 4.126 442 HG CYS 65 HG CYS 65 3.819 2.905 4.461 443 HB2 CYS 65 HB2 CYS 65 3.492 1.259 6.226 444 HB3 CYS 65 HB1 CYS 65 4.888 0.390 5.599 445 H THR 66 HN THR 66 3.928 -2.360 6.135 446 HA THR 66 HA THR 66 5.712 -3.242 4.041 447 HB THR 66 HB THR 66 6.391 -3.366 6.402 448 HG1 THR 66 HG1 THR 66 7.118 -4.940 4.788 449 HG21 THR 66 HG23 THR 66 4.064 -5.233 6.635 450 HG22 THR 66 HG21 THR 66 4.487 -3.853 7.648 451 HG23 THR 66 HG22 THR 66 5.449 -5.329 7.723 452 H GLU 67 HN GLU 67 2.607 -4.152 5.362 453 HA GLU 67 HA GLU 67 2.452 -6.718 4.155 454 HB2 GLU 67 HB2 GLU 67 1.045 -6.071 6.061 455 HB3 GLU 67 HB1 GLU 67 0.237 -4.870 5.063 456 HG2 GLU 67 HG2 GLU 67 -1.206 -6.726 5.175 457 HG3 GLU 67 HG1 GLU 67 -0.484 -6.756 3.566 458 H TYR 68 HN TYR 68 1.172 -3.534 3.229 459 HA TYR 68 HA TYR 68 -0.049 -4.409 0.834 460 HD1 TYR 68 HD2 TYR 68 -1.936 -3.967 1.727 461 HD2 TYR 68 HD1 TYR 68 -0.200 -0.305 3.021 462 HE1 TYR 68 HE2 TYR 68 -3.737 -3.704 3.380 463 HE2 TYR 68 HE1 TYR 68 -1.996 -0.032 4.679 464 HH TYR 68 HH TYR 68 -4.151 -2.544 5.485 465 HB2 TYR 68 HB2 TYR 68 0.960 -1.637 1.501 466 HB3 TYR 68 HB1 TYR 68 -0.231 -2.048 0.271 467 H LEU 69 HN LEU 69 3.104 -2.930 1.507 468 HA LEU 69 HA LEU 69 3.992 -2.719 -1.139 469 HG LEU 69 HG LEU 69 6.511 -2.739 -1.353 470 HB2 LEU 69 HB2 LEU 69 5.021 -1.748 0.993 471 HB3 LEU 69 HB1 LEU 69 5.786 -3.312 1.202 472 HD11 LEU 69 HD11 LEU 69 7.291 -0.390 -1.344 473 HD12 LEU 69 HD12 LEU 69 6.367 -0.123 0.134 474 HD13 LEU 69 HD13 LEU 69 5.534 -0.543 -1.363 475 HD21 LEU 69 HD23 LEU 69 8.187 -3.477 0.030 476 HD22 LEU 69 HD21 LEU 69 7.797 -2.319 1.302 477 HD23 LEU 69 HD22 LEU 69 8.635 -1.781 -0.153 478 H ASP 70 HN ASP 70 4.238 -5.375 1.182 479 HA ASP 70 HA ASP 70 5.902 -7.058 -0.311 480 HB2 ASP 70 HB2 ASP 70 5.270 -7.367 2.097 481 HB3 ASP 70 HB1 ASP 70 3.692 -7.933 1.558 482 H ARG 71 HN ARG 71 2.358 -6.845 -0.201 483 HA ARG 71 HA ARG 71 1.859 -8.936 -2.021 484 HE ARG 71 HE ARG 71 -2.110 -9.923 -2.608 485 HB2 ARG 71 HB2 ARG 71 0.281 -6.615 -0.989 486 HB3 ARG 71 HB1 ARG 71 -0.341 -7.524 -2.359 487 HG2 ARG 71 HG2 ARG 71 0.435 -8.774 0.265 488 HG3 ARG 71 HG1 ARG 71 -1.203 -8.257 -0.141 489 HD2 ARG 71 HD2 ARG 71 0.127 -9.987 -2.122 490 HD3 ARG 71 HD1 ARG 71 -0.252 -10.740 -0.576 491 HH11 ARG 71 HH11 ARG 71 -1.705 -10.590 0.792 492 HH12 ARG 71 HH12 ARG 71 -3.381 -10.950 1.049 493 HH21 ARG 71 HH21 ARG 71 -4.315 -10.380 -2.271 494 HH22 ARG 71 HH22 ARG 71 -4.863 -10.820 -0.689 495 H ALA 72 HN ALA 72 2.596 -5.543 -2.459 496 HA ALA 72 HA ALA 72 1.908 -5.481 -5.242 497 HB1 ALA 72 HB3 ALA 72 3.180 -3.290 -5.174 498 HB2 ALA 72 HB1 ALA 72 3.408 -3.588 -3.451 499 HB3 ALA 72 HB2 ALA 72 1.781 -3.416 -4.108 500 H GLU 73 HN GLU 73 4.892 -5.854 -3.384 501 HA GLU 73 HA GLU 73 6.709 -5.730 -5.509 502 HB2 GLU 73 HB2 GLU 73 6.804 -7.110 -2.834 503 HB3 GLU 73 HB1 GLU 73 8.151 -7.181 -3.962 504 HG2 GLU 73 HG2 GLU 73 8.546 -4.877 -3.811 505 HG3 GLU 73 HG1 GLU 73 6.979 -4.574 -3.062 506 H LYS 74 HN LYS 74 4.787 -8.395 -4.250 507 HA LYS 74 HA LYS 74 6.053 -10.390 -5.868 508 HB2 LYS 74 HB2 LYS 74 3.620 -10.300 -4.120 509 HB3 LYS 74 HB1 LYS 74 3.871 -11.670 -5.203 510 HG2 LYS 74 HG2 LYS 74 5.875 -10.750 -3.153 511 HG3 LYS 74 HG1 LYS 74 4.688 -12.030 -2.886 512 HD2 LYS 74 HD2 LYS 74 5.818 -13.520 -4.151 513 HD3 LYS 74 HD1 LYS 74 6.305 -12.300 -5.331 514 HE2 LYS 74 HE2 LYS 74 8.179 -11.690 -4.132 515 HE3 LYS 74 HE1 LYS 74 7.510 -12.260 -2.602 516 HZ1 LYS 74 HZ3 LYS 74 8.468 -13.980 -4.825 517 HZ2 LYS 74 HZ1 LYS 74 7.795 -14.540 -3.376 518 HZ3 LYS 74 HZ2 LYS 74 9.270 -13.710 -3.360 519 H LEU 75 HN LEU 75 3.134 -8.426 -6.115 520 HA LEU 75 HA LEU 75 2.013 -9.697 -8.357 521 HG LEU 75 HG LEU 75 -0.340 -9.032 -8.166 522 HB2 LEU 75 HB2 LEU 75 1.665 -7.122 -6.958 523 HB3 LEU 75 HB1 LEU 75 1.162 -7.137 -8.637 524 HD11 LEU 75 HD11 LEU 75 -0.134 -8.677 -5.251 525 HD12 LEU 75 HD12 LEU 75 1.206 -9.530 -6.017 526 HD13 LEU 75 HD13 LEU 75 -0.442 -10.130 -6.203 527 HD21 LEU 75 HD23 LEU 75 -0.612 -6.482 -6.619 528 HD22 LEU 75 HD21 LEU 75 -1.862 -7.724 -6.550 529 HD23 LEU 75 HD22 LEU 75 -1.438 -6.984 -8.094 530 H LYS 76 HN LYS 76 4.042 -6.777 -8.148 531 HA LYS 76 HA LYS 76 4.243 -6.385 -10.930 532 HB2 LYS 76 HB2 LYS 76 6.051 -4.842 -10.410 533 HB3 LYS 76 HB1 LYS 76 4.720 -4.621 -9.285 534 HG2 LYS 76 HG2 LYS 76 5.969 -6.055 -7.661 535 HG3 LYS 76 HG1 LYS 76 7.337 -6.012 -8.776 536 HD2 LYS 76 HD2 LYS 76 7.802 -4.289 -7.277 537 HD3 LYS 76 HD1 LYS 76 7.079 -3.452 -8.652 538 HE2 LYS 76 HE2 LYS 76 4.869 -3.973 -7.214 539 HE3 LYS 76 HE1 LYS 76 6.052 -3.851 -5.912 540 HZ1 LYS 76 HZ3 LYS 76 6.715 -1.696 -7.206 541 HZ2 LYS 76 HZ1 LYS 76 5.417 -1.685 -6.121 542 HZ3 LYS 76 HZ2 LYS 76 5.129 -1.793 -7.784 543 H GLU 77 HN GLU 77 5.959 -8.427 -8.706 544 HA GLU 77 HA GLU 77 8.305 -8.899 -10.140 545 HB2 GLU 77 HB2 GLU 77 6.771 -10.350 -8.058 546 HB3 GLU 77 HB1 GLU 77 7.971 -11.270 -8.955 547 HG2 GLU 77 HG2 GLU 77 8.690 -8.651 -7.725 548 HG3 GLU 77 HG1 GLU 77 8.642 -10.110 -6.749 549 H TYR 78 HN TYR 78 5.235 -10.710 -10.190 550 HA TYR 78 HA TYR 78 6.155 -12.300 -12.430 551 HD1 TYR 78 HD2 TYR 78 2.424 -12.470 -13.390 552 HD2 TYR 78 HD1 TYR 78 3.032 -11.900 -9.224 553 HE1 TYR 78 HE2 TYR 78 0.127 -11.620 -13.180 554 HE2 TYR 78 HE1 TYR 78 0.735 -11.060 -8.999 555 HH TYR 78 HH TYR 78 -1.053 -9.944 -11.350 556 HB2 TYR 78 HB2 TYR 78 4.271 -13.640 -12.100 557 HB3 TYR 78 HB1 TYR 78 4.638 -13.080 -10.480 558 H LEU 79 HN LEU 79 3.917 -9.657 -11.840 559 HA LEU 79 HA LEU 79 2.626 -9.631 -14.330 560 HG LEU 79 HG LEU 79 1.238 -9.217 -12.050 561 HB2 LEU 79 HB2 LEU 79 3.166 -7.562 -12.230 562 HB3 LEU 79 HB1 LEU 79 2.469 -7.075 -13.770 563 HD11 LEU 79 HD11 LEU 79 -0.389 -7.109 -11.690 564 HD12 LEU 79 HD12 LEU 79 1.168 -6.284 -11.770 565 HD13 LEU 79 HD13 LEU 79 0.899 -7.550 -10.570 566 HD21 LEU 79 HD23 LEU 79 0.655 -9.042 -14.490 567 HD22 LEU 79 HD21 LEU 79 -0.012 -7.447 -14.140 568 HD23 LEU 79 HD22 LEU 79 -0.702 -8.879 -13.370 569 H LYS 80 HN LYS 80 5.611 -8.056 -13.250 570 HA LYS 80 HA LYS 80 6.060 -6.818 -15.820 571 HB2 LYS 80 HB2 LYS 80 6.866 -6.146 -13.360 572 HB3 LYS 80 HB1 LYS 80 8.268 -7.091 -13.840 573 HG2 LYS 80 HG2 LYS 80 8.987 -5.117 -14.630 574 HG3 LYS 80 HG1 LYS 80 7.979 -5.538 -16.020 575 HD2 LYS 80 HD2 LYS 80 6.147 -4.372 -14.410 576 HD3 LYS 80 HD1 LYS 80 7.596 -3.476 -13.950 577 HE2 LYS 80 HE2 LYS 80 7.824 -2.521 -16.010 578 HE3 LYS 80 HE1 LYS 80 7.072 -3.882 -16.840 579 HZ1 LYS 80 HZ3 LYS 80 5.415 -2.238 -15.070 580 HZ2 LYS 80 HZ1 LYS 80 4.986 -3.073 -16.480 581 HZ3 LYS 80 HZ2 LYS 80 5.832 -1.612 -16.590 582 H ASN 81 HN ASN 81 7.084 -9.715 -14.150 583 HA ASN 81 HA ASN 81 9.263 -10.380 -15.820 584 HB2 ASN 81 HB2 ASN 81 7.566 -11.810 -13.840 585 HB3 ASN 81 HB1 ASN 81 8.482 -12.800 -14.980 586 HD21 ASN 81 HD21 ASN 81 8.894 -12.800 -12.210 587 HD22 ASN 81 HD22 ASN 81 10.472 -12.170 -11.900 Start of MODEL 15 1 H ASN 10 HN ASN 10 -3.448 13.934 4.567 2 HA ASN 10 HA ASN 10 -3.029 12.443 2.083 3 HB2 ASN 10 HB2 ASN 10 -1.127 12.706 4.416 4 HB3 ASN 10 HB1 ASN 10 -0.752 12.162 2.784 5 HD21 ASN 10 HD21 ASN 10 -0.479 14.675 4.836 6 HD22 ASN 10 HD22 ASN 10 -0.354 15.976 3.706 7 H LEU 11 HN LEU 11 -3.618 11.999 5.504 8 HA LEU 11 HA LEU 11 -3.071 9.218 5.599 9 HG LEU 11 HG LEU 11 -4.929 8.255 7.531 10 HB2 LEU 11 HB2 LEU 11 -3.154 10.663 7.594 11 HB3 LEU 11 HB1 LEU 11 -4.879 10.874 7.361 12 HD11 LEU 11 HD11 LEU 11 -3.223 7.441 9.131 13 HD12 LEU 11 HD12 LEU 11 -2.358 8.964 8.932 14 HD13 LEU 11 HD13 LEU 11 -2.555 7.877 7.558 15 HD21 LEU 11 HD23 LEU 11 -5.753 10.162 9.130 16 HD22 LEU 11 HD21 LEU 11 -4.397 9.627 10.122 17 HD23 LEU 11 HD22 LEU 11 -5.674 8.491 9.688 18 H GLN 12 HN GLN 12 -6.055 11.081 5.149 19 HA GLN 12 HA GLN 12 -7.839 8.924 5.097 20 HB2 GLN 12 HB2 GLN 12 -8.336 11.444 5.191 21 HB3 GLN 12 HB1 GLN 12 -8.191 11.412 3.439 22 HG2 GLN 12 HG2 GLN 12 -9.959 9.637 3.421 23 HG3 GLN 12 HG1 GLN 12 -10.180 9.947 5.142 24 HE21 GLN 12 HE21 GLN 12 -10.430 11.314 1.930 25 HE22 GLN 12 HE22 GLN 12 -11.540 12.572 2.339 26 H LYS 13 HN LYS 13 -5.727 10.243 2.645 27 HA LYS 13 HA LYS 13 -6.929 8.856 0.452 28 HB2 LYS 13 HB2 LYS 13 -5.554 10.941 0.240 29 HB3 LYS 13 HB1 LYS 13 -4.132 9.984 0.633 30 HG2 LYS 13 HG2 LYS 13 -4.309 10.313 -1.758 31 HG3 LYS 13 HG1 LYS 13 -4.513 8.607 -1.353 32 HD2 LYS 13 HD2 LYS 13 -6.662 8.567 -2.047 33 HD3 LYS 13 HD1 LYS 13 -6.992 10.194 -1.451 34 HE2 LYS 13 HE2 LYS 13 -5.225 9.804 -3.830 35 HE3 LYS 13 HE1 LYS 13 -6.976 9.721 -4.015 36 HZ1 LYS 13 HZ3 LYS 13 -5.893 12.003 -2.552 37 HZ2 LYS 13 HZ1 LYS 13 -7.219 11.920 -3.601 38 HZ3 LYS 13 HZ2 LYS 13 -5.648 11.977 -4.225 39 H ALA 14 HN ALA 14 -4.412 8.153 2.770 40 HA ALA 14 HA ALA 14 -3.324 5.909 1.384 41 HB1 ALA 14 HB3 ALA 14 -2.064 5.492 3.368 42 HB2 ALA 14 HB1 ALA 14 -3.158 6.478 4.338 43 HB3 ALA 14 HB2 ALA 14 -2.123 7.238 3.129 44 H ILE 15 HN ILE 15 -5.832 6.348 3.815 45 HA ILE 15 HA ILE 15 -6.203 3.535 4.263 46 HB ILE 15 HB ILE 15 -8.125 5.756 4.951 47 HG12 ILE 15 HG12 ILE 15 -6.005 4.627 6.775 48 HG13 ILE 15 HG11 ILE 15 -5.725 6.060 5.791 49 HG21 ILE 15 HG21 ILE 15 -9.257 3.766 5.281 50 HG22 ILE 15 HG22 ILE 15 -8.558 4.069 6.871 51 HG23 ILE 15 HG23 ILE 15 -7.804 2.903 5.784 52 HD11 ILE 15 HD13 ILE 15 -7.152 7.351 7.024 53 HD12 ILE 15 HD11 ILE 15 -6.528 6.264 8.265 54 HD13 ILE 15 HD12 ILE 15 -8.116 5.973 7.556 55 H ASP 16 HN ASP 16 -7.727 6.021 2.290 56 HA ASP 16 HA ASP 16 -9.999 4.591 1.491 57 HB2 ASP 16 HB2 ASP 16 -9.241 7.098 1.094 58 HB3 ASP 16 HB1 ASP 16 -8.659 6.441 -0.433 59 H LEU 17 HN LEU 17 -6.772 4.805 0.033 60 HA LEU 17 HA LEU 17 -7.394 3.085 -2.154 61 HG LEU 17 HG LEU 17 -6.441 5.445 -2.627 62 HB2 LEU 17 HB2 LEU 17 -4.821 4.108 -0.983 63 HB3 LEU 17 HB1 LEU 17 -4.834 2.963 -2.311 64 HD11 LEU 17 HD11 LEU 17 -4.646 6.668 -1.986 65 HD12 LEU 17 HD12 LEU 17 -4.136 6.321 -3.639 66 HD13 LEU 17 HD13 LEU 17 -3.502 5.363 -2.301 67 HD21 LEU 17 HD23 LEU 17 -5.114 5.077 -4.922 68 HD22 LEU 17 HD21 LEU 17 -6.626 4.253 -4.541 69 HD23 LEU 17 HD22 LEU 17 -5.087 3.425 -4.305 70 H ALA 18 HN ALA 18 -5.974 2.625 1.035 71 HA ALA 18 HA ALA 18 -5.051 0.002 0.723 72 HB1 ALA 18 HB3 ALA 18 -6.162 1.182 3.263 73 HB2 ALA 18 HB1 ALA 18 -4.549 1.528 2.639 74 HB3 ALA 18 HB2 ALA 18 -4.979 -0.117 3.106 75 H SER 19 HN SER 19 -8.251 1.266 1.395 76 HA SER 19 HA SER 19 -9.400 -1.266 2.078 77 HG SER 19 HG SER 19 -11.810 0.229 3.442 78 HB2 SER 19 HB2 SER 19 -10.200 1.240 2.542 79 HB3 SER 19 HB1 SER 19 -11.110 0.945 1.062 80 H LYS 20 HN LYS 20 -9.420 0.783 -0.822 81 HA LYS 20 HA LYS 20 -11.030 -0.958 -2.374 82 HB2 LYS 20 HB2 LYS 20 -9.319 1.417 -2.909 83 HB3 LYS 20 HB1 LYS 20 -9.734 0.394 -4.277 84 HG2 LYS 20 HG2 LYS 20 -12.160 0.661 -3.239 85 HG3 LYS 20 HG1 LYS 20 -11.450 2.155 -2.631 86 HD2 LYS 20 HD2 LYS 20 -12.430 2.692 -4.716 87 HD3 LYS 20 HD1 LYS 20 -10.690 2.609 -4.999 88 HE2 LYS 20 HE2 LYS 20 -11.490 1.404 -6.787 89 HE3 LYS 20 HE1 LYS 20 -11.200 0.122 -5.611 90 HZ1 LYS 20 HZ3 LYS 20 -13.450 -0.106 -5.190 91 HZ2 LYS 20 HZ1 LYS 20 -13.420 0.167 -6.859 92 HZ3 LYS 20 HZ2 LYS 20 -13.840 1.420 -5.805 93 H ALA 21 HN ALA 21 -7.532 -0.554 -2.038 94 HA ALA 21 HA ALA 21 -6.730 -2.306 -4.068 95 HB1 ALA 21 HB3 ALA 21 -5.326 -0.665 -2.677 96 HB2 ALA 21 HB1 ALA 21 -4.586 -2.193 -3.156 97 HB3 ALA 21 HB2 ALA 21 -5.193 -1.983 -1.513 98 H ALA 22 HN ALA 22 -7.259 -2.915 -0.602 99 HA ALA 22 HA ALA 22 -6.587 -5.632 -0.609 100 HB1 ALA 22 HB3 ALA 22 -7.092 -3.976 1.352 101 HB2 ALA 22 HB1 ALA 22 -7.385 -5.705 1.546 102 HB3 ALA 22 HB2 ALA 22 -8.729 -4.616 1.201 103 H GLN 23 HN GLN 23 -9.591 -3.985 -1.390 104 HA GLN 23 HA GLN 23 -11.130 -6.406 -1.563 105 HB2 GLN 23 HB2 GLN 23 -11.620 -3.514 -2.118 106 HB3 GLN 23 HB1 GLN 23 -12.700 -4.701 -2.831 107 HG2 GLN 23 HG2 GLN 23 -12.640 -5.574 -0.283 108 HG3 GLN 23 HG1 GLN 23 -12.400 -3.844 -0.037 109 HE21 GLN 23 HE21 GLN 23 -14.610 -6.324 -0.887 110 HE22 GLN 23 HE22 GLN 23 -16.000 -5.328 -1.084 111 H GLU 24 HN GLU 24 -9.394 -4.320 -3.791 112 HA GLU 24 HA GLU 24 -10.390 -5.334 -6.203 113 HB2 GLU 24 HB2 GLU 24 -7.741 -4.090 -5.490 114 HB3 GLU 24 HB1 GLU 24 -8.158 -4.547 -7.136 115 HG2 GLU 24 HG2 GLU 24 -10.170 -2.906 -5.794 116 HG3 GLU 24 HG1 GLU 24 -8.615 -2.114 -6.021 117 H ASP 25 HN ASP 25 -7.447 -6.242 -4.416 118 HA ASP 25 HA ASP 25 -6.670 -8.324 -6.127 119 HB2 ASP 25 HB2 ASP 25 -5.274 -7.221 -4.322 120 HB3 ASP 25 HB1 ASP 25 -6.138 -8.218 -3.156 121 H LYS 26 HN LYS 26 -8.578 -8.385 -3.131 122 HA LYS 26 HA LYS 26 -8.969 -11.160 -3.027 123 HB2 LYS 26 HB2 LYS 26 -10.540 -8.841 -1.934 124 HB3 LYS 26 HB1 LYS 26 -11.040 -10.500 -1.667 125 HG2 LYS 26 HG2 LYS 26 -8.985 -10.980 -0.509 126 HG3 LYS 26 HG1 LYS 26 -8.368 -9.370 -0.878 127 HD2 LYS 26 HD2 LYS 26 -9.152 -8.918 1.197 128 HD3 LYS 26 HD1 LYS 26 -10.670 -8.703 0.327 129 HE2 LYS 26 HE2 LYS 26 -9.976 -11.430 1.249 130 HE3 LYS 26 HE1 LYS 26 -10.470 -10.260 2.467 131 HZ1 LYS 26 HZ3 LYS 26 -12.300 -11.610 1.511 132 HZ2 LYS 26 HZ1 LYS 26 -12.050 -10.840 0.026 133 HZ3 LYS 26 HZ2 LYS 26 -12.530 -9.948 1.372 134 H ALA 27 HN ALA 27 -10.590 -8.644 -4.823 135 HA ALA 27 HA ALA 27 -12.840 -10.240 -5.583 136 HB1 ALA 27 HB3 ALA 27 -13.000 -8.345 -7.381 137 HB2 ALA 27 HB1 ALA 27 -11.780 -7.569 -6.370 138 HB3 ALA 27 HB2 ALA 27 -13.340 -8.000 -5.686 139 H GLY 28 HN GLY 28 -9.733 -9.433 -7.035 140 HA2 GLY 28 HA2 GLY 28 -9.090 -11.600 -8.388 141 HA3 GLY 28 HA1 GLY 28 -10.380 -11.000 -9.415 142 H ASN 29 HN ASN 29 -9.664 -8.187 -8.833 143 HA ASN 29 HA ASN 29 -7.825 -7.836 -10.980 144 HB2 ASN 29 HB2 ASN 29 -8.885 -5.811 -8.999 145 HB3 ASN 29 HB1 ASN 29 -8.052 -5.435 -10.500 146 HD21 ASN 29 HD21 ASN 29 -10.360 -4.278 -10.280 147 HD22 ASN 29 HD22 ASN 29 -11.590 -5.055 -11.220 148 H TYR 30 HN TYR 30 -5.696 -8.012 -10.860 149 HA TYR 30 HA TYR 30 -4.378 -7.611 -8.269 150 HD1 TYR 30 HD2 TYR 30 -5.842 -9.787 -8.697 151 HD2 TYR 30 HD1 TYR 30 -1.677 -10.650 -8.617 152 HE1 TYR 30 HE2 TYR 30 -6.269 -11.670 -7.182 153 HE2 TYR 30 HE1 TYR 30 -2.093 -12.540 -7.102 154 HH TYR 30 HH TYR 30 -4.004 -13.120 -5.363 155 HB2 TYR 30 HB2 TYR 30 -3.732 -9.236 -10.690 156 HB3 TYR 30 HB1 TYR 30 -2.415 -8.696 -9.659 157 H GLU 31 HN GLU 31 -4.179 -6.705 -11.680 158 HA GLU 31 HA GLU 31 -1.903 -5.086 -11.530 159 HB2 GLU 31 HB2 GLU 31 -3.625 -5.858 -13.520 160 HB3 GLU 31 HB1 GLU 31 -3.977 -4.141 -13.380 161 HG2 GLU 31 HG2 GLU 31 -1.262 -4.131 -13.380 162 HG3 GLU 31 HG1 GLU 31 -1.608 -5.506 -14.420 163 H GLU 32 HN GLU 32 -5.334 -4.109 -11.440 164 HA GLU 32 HA GLU 32 -4.848 -1.401 -10.870 165 HB2 GLU 32 HB2 GLU 32 -7.024 -2.588 -11.640 166 HB3 GLU 32 HB1 GLU 32 -7.309 -2.840 -9.930 167 HG2 GLU 32 HG2 GLU 32 -8.355 -0.872 -10.040 168 HG3 GLU 32 HG1 GLU 32 -6.728 -0.195 -9.973 169 H ALA 33 HN ALA 33 -5.430 -4.174 -8.758 170 HA ALA 33 HA ALA 33 -5.549 -2.754 -6.333 171 HB1 ALA 33 HB3 ALA 33 -6.260 -5.128 -6.697 172 HB2 ALA 33 HB1 ALA 33 -5.294 -4.859 -5.247 173 HB3 ALA 33 HB2 ALA 33 -4.554 -5.575 -6.678 174 H LEU 34 HN LEU 34 -2.850 -4.045 -8.183 175 HA LEU 34 HA LEU 34 -0.847 -3.774 -6.238 176 HG LEU 34 HG LEU 34 1.387 -2.701 -8.137 177 HB2 LEU 34 HB2 LEU 34 -0.505 -5.050 -8.275 178 HB3 LEU 34 HB1 LEU 34 -0.671 -3.599 -9.245 179 HD11 LEU 34 HD11 LEU 34 2.126 -5.432 -7.274 180 HD12 LEU 34 HD12 LEU 34 1.011 -4.537 -6.241 181 HD13 LEU 34 HD13 LEU 34 2.598 -3.865 -6.617 182 HD21 LEU 34 HD23 LEU 34 2.747 -3.665 -9.692 183 HD22 LEU 34 HD21 LEU 34 1.183 -4.180 -10.320 184 HD23 LEU 34 HD22 LEU 34 2.157 -5.294 -9.363 185 H GLN 35 HN GLN 35 -1.887 -1.536 -8.801 186 HA GLN 35 HA GLN 35 -0.073 0.519 -8.209 187 HB2 GLN 35 HB2 GLN 35 -2.833 0.681 -9.432 188 HB3 GLN 35 HB1 GLN 35 -1.657 1.988 -9.437 189 HG2 GLN 35 HG2 GLN 35 -0.293 0.940 -10.960 190 HG3 GLN 35 HG1 GLN 35 -0.909 -0.665 -10.570 191 HE21 GLN 35 HE21 GLN 35 -0.613 0.547 -13.170 192 HE22 GLN 35 HE22 GLN 35 -2.187 0.596 -13.880 193 H LEU 36 HN LEU 36 -3.222 -0.274 -6.875 194 HA LEU 36 HA LEU 36 -3.532 2.148 -5.402 195 HG LEU 36 HG LEU 36 -5.267 0.762 -7.217 196 HB2 LEU 36 HB2 LEU 36 -4.825 -0.552 -5.003 197 HB3 LEU 36 HB1 LEU 36 -5.332 0.937 -4.227 198 HD11 LEU 36 HD11 LEU 36 -6.576 -1.111 -6.847 199 HD12 LEU 36 HD12 LEU 36 -7.772 0.184 -6.927 200 HD13 LEU 36 HD13 LEU 36 -7.272 -0.458 -5.363 201 HD21 LEU 36 HD23 LEU 36 -7.204 2.342 -6.892 202 HD22 LEU 36 HD21 LEU 36 -5.631 2.944 -6.370 203 HD23 LEU 36 HD22 LEU 36 -6.793 2.364 -5.177 204 H TYR 37 HN TYR 37 -2.246 -1.054 -4.668 205 HA TYR 37 HA TYR 37 -1.945 -0.744 -1.899 206 HD1 TYR 37 HD1 TYR 37 -2.722 -2.373 -0.948 207 HD2 TYR 37 HD2 TYR 37 -1.494 -4.430 -4.464 208 HE1 TYR 37 HE1 TYR 37 -4.531 -4.005 -0.617 209 HE2 TYR 37 HE2 TYR 37 -3.300 -6.067 -4.144 210 HH TYR 37 HH TYR 37 -5.706 -5.927 -2.856 211 HB2 TYR 37 HB2 TYR 37 -0.468 -2.423 -3.921 212 HB3 TYR 37 HB1 TYR 37 -0.098 -2.488 -2.201 213 H GLN 38 HN GLN 38 0.400 -0.189 -4.522 214 HA GLN 38 HA GLN 38 2.507 0.704 -2.909 215 HB2 GLN 38 HB2 GLN 38 1.818 1.331 -5.782 216 HB3 GLN 38 HB1 GLN 38 3.322 1.822 -5.015 217 HG2 GLN 38 HG2 GLN 38 4.201 -0.244 -5.101 218 HG3 GLN 38 HG1 GLN 38 2.656 -1.032 -4.786 219 HE21 GLN 38 HE21 GLN 38 3.975 -2.327 -6.544 220 HE22 GLN 38 HE22 GLN 38 3.478 -2.007 -8.167 221 H HIS 39 HN HIS 39 -0.212 2.424 -4.343 222 HA HIS 39 HA HIS 39 0.637 5.044 -3.832 223 HD1 HIS 39 HD1 HIS 39 -3.206 5.708 -6.128 224 HD2 HIS 39 HD2 HIS 39 0.918 5.214 -5.995 225 HE1 HIS 39 HE1 HIS 39 -2.348 6.625 -8.307 226 HE2 HIS 39 HE2 HIS 39 0.140 6.236 -8.240 227 HB2 HIS 39 HB2 HIS 39 -1.971 3.723 -4.362 228 HB3 HIS 39 HB1 HIS 39 -2.023 5.332 -3.650 229 H ALA 40 HN ALA 40 -1.298 2.819 -1.856 230 HA ALA 40 HA ALA 40 -1.843 4.546 0.268 231 HB1 ALA 40 HB3 ALA 40 -2.508 2.661 1.480 232 HB2 ALA 40 HB1 ALA 40 -1.359 1.610 0.653 233 HB3 ALA 40 HB2 ALA 40 -2.780 2.210 -0.203 234 H VAL 41 HN VAL 41 0.971 2.525 -0.386 235 HA VAL 41 HA VAL 41 2.235 2.833 2.115 236 HB VAL 41 HB VAL 41 3.622 2.431 -0.535 237 HG11 VAL 41 HG11 VAL 41 4.445 1.369 2.149 238 HG12 VAL 41 HG12 VAL 41 4.937 2.968 1.589 239 HG13 VAL 41 HG13 VAL 41 5.410 1.531 0.682 240 HG21 VAL 41 HG23 VAL 41 1.953 0.603 1.096 241 HG22 VAL 41 HG21 VAL 41 3.435 -0.054 0.401 242 HG23 VAL 41 HG22 VAL 41 2.207 0.654 -0.648 243 H GLN 42 HN GLN 42 2.548 4.638 -0.927 244 HA GLN 42 HA GLN 42 4.576 6.387 -0.104 245 HB2 GLN 42 HB2 GLN 42 2.495 6.419 -2.237 246 HB3 GLN 42 HB1 GLN 42 3.330 7.925 -1.879 247 HG2 GLN 42 HG2 GLN 42 5.020 5.534 -2.250 248 HG3 GLN 42 HG1 GLN 42 4.195 6.154 -3.679 249 HE21 GLN 42 HE21 GLN 42 6.400 6.989 -1.076 250 HE22 GLN 42 HE22 GLN 42 7.187 8.284 -1.905 251 H TYR 43 HN TYR 43 1.072 6.558 0.234 252 HA TYR 43 HA TYR 43 1.071 9.214 1.306 253 HD1 TYR 43 HD1 TYR 43 -0.448 10.548 0.101 254 HD2 TYR 43 HD2 TYR 43 -1.824 6.631 -0.828 255 HE1 TYR 43 HE1 TYR 43 -1.021 11.295 -2.171 256 HE2 TYR 43 HE2 TYR 43 -2.400 7.366 -3.103 257 HH TYR 43 HH TYR 43 -2.725 10.488 -4.000 258 HB2 TYR 43 HB2 TYR 43 -1.039 7.048 1.291 259 HB3 TYR 43 HB1 TYR 43 -1.308 8.680 1.893 260 H PHE 44 HN PHE 44 1.274 5.983 2.616 261 HA PHE 44 HA PHE 44 0.776 6.780 5.331 262 HD1 PHE 44 HD1 PHE 44 -0.665 5.864 6.388 263 HD2 PHE 44 HD2 PHE 44 -0.006 2.762 3.551 264 HE1 PHE 44 HE1 PHE 44 -3.034 5.220 6.548 265 HE2 PHE 44 HE2 PHE 44 -2.374 2.112 3.705 266 HZ PHE 44 HZ PHE 44 -3.892 3.342 5.205 267 HB2 PHE 44 HB2 PHE 44 1.697 4.243 4.012 268 HB3 PHE 44 HB1 PHE 44 1.768 4.417 5.762 269 H LEU 45 HN LEU 45 3.661 5.769 3.508 270 HA LEU 45 HA LEU 45 5.495 6.149 5.608 271 HG LEU 45 HG LEU 45 7.247 4.479 4.820 272 HB2 LEU 45 HB2 LEU 45 5.678 5.873 2.651 273 HB3 LEU 45 HB1 LEU 45 7.081 6.493 3.500 274 HD11 LEU 45 HD11 LEU 45 5.224 3.594 5.308 275 HD12 LEU 45 HD12 LEU 45 5.595 2.584 3.910 276 HD13 LEU 45 HD13 LEU 45 4.546 3.990 3.729 277 HD21 LEU 45 HD23 LEU 45 8.305 4.473 2.620 278 HD22 LEU 45 HD21 LEU 45 6.825 3.836 1.904 279 HD23 LEU 45 HD22 LEU 45 7.736 2.862 3.057 280 H HIS 46 HN HIS 46 4.108 8.338 3.265 281 HA HIS 46 HA HIS 46 5.948 10.464 3.607 282 HD1 HIS 46 HD1 HIS 46 5.792 12.330 0.962 283 HD2 HIS 46 HD2 HIS 46 2.793 13.230 3.693 284 HE1 HIS 46 HE1 HIS 46 5.650 14.840 1.001 285 HE2 HIS 46 HE2 HIS 46 3.769 15.358 2.595 286 HB2 HIS 46 HB2 HIS 46 4.426 10.300 1.673 287 HB3 HIS 46 HB1 HIS 46 3.051 10.571 2.739 288 H VAL 47 HN VAL 47 2.751 9.823 5.030 289 HA VAL 47 HA VAL 47 2.658 12.124 6.648 290 HB VAL 47 HB VAL 47 1.338 9.471 7.232 291 HG11 VAL 47 HG11 VAL 47 -0.418 11.132 8.166 292 HG12 VAL 47 HG12 VAL 47 0.926 12.274 8.194 293 HG13 VAL 47 HG13 VAL 47 1.022 10.776 9.120 294 HG21 VAL 47 HG23 VAL 47 1.041 10.851 4.908 295 HG22 VAL 47 HG21 VAL 47 -0.228 11.567 5.902 296 HG23 VAL 47 HG22 VAL 47 -0.198 9.825 5.629 297 H VAL 48 HN VAL 48 3.643 8.788 7.401 298 HA VAL 48 HA VAL 48 4.299 9.255 10.098 299 HB VAL 48 HB VAL 48 5.546 7.185 8.286 300 HG11 VAL 48 HG11 VAL 48 5.473 7.633 11.220 301 HG12 VAL 48 HG12 VAL 48 6.764 6.993 10.203 302 HG13 VAL 48 HG13 VAL 48 5.394 5.971 10.636 303 HG21 VAL 48 HG23 VAL 48 2.869 7.464 8.684 304 HG22 VAL 48 HG21 VAL 48 3.309 6.385 10.007 305 HG23 VAL 48 HG22 VAL 48 3.679 5.936 8.343 306 H LYS 49 HN LYS 49 6.150 9.574 7.124 307 HA LYS 49 HA LYS 49 8.658 10.013 8.429 308 HB2 LYS 49 HB2 LYS 49 8.527 9.145 6.135 309 HB3 LYS 49 HB1 LYS 49 7.793 10.652 5.603 310 HG2 LYS 49 HG2 LYS 49 10.031 11.619 6.714 311 HG3 LYS 49 HG1 LYS 49 10.606 10.025 6.224 312 HD2 LYS 49 HD2 LYS 49 10.225 10.440 3.972 313 HD3 LYS 49 HD1 LYS 49 9.066 11.729 4.305 314 HE2 LYS 49 HE2 LYS 49 10.961 12.866 3.564 315 HE3 LYS 49 HE1 LYS 49 11.061 12.986 5.320 316 HZ1 LYS 49 HZ3 LYS 49 12.683 11.371 3.475 317 HZ2 LYS 49 HZ1 LYS 49 12.476 10.846 5.070 318 HZ3 LYS 49 HZ2 LYS 49 13.179 12.353 4.759 319 H TYR 50 HN TYR 50 6.134 12.081 7.082 320 HA TYR 50 HA TYR 50 7.589 14.510 7.562 321 HD1 TYR 50 HD1 TYR 50 6.992 13.002 5.022 322 HD2 TYR 50 HD2 TYR 50 5.530 16.969 5.494 323 HE1 TYR 50 HE1 TYR 50 7.946 13.607 2.838 324 HE2 TYR 50 HE2 TYR 50 6.479 17.586 3.311 325 HH TYR 50 HH TYR 50 8.756 16.061 1.799 326 HB2 TYR 50 HB2 TYR 50 4.852 13.814 6.587 327 HB3 TYR 50 HB1 TYR 50 5.145 15.448 7.174 328 H GLU 51 HN GLU 51 4.374 13.615 8.795 329 HA GLU 51 HA GLU 51 5.153 13.964 11.533 330 HB2 GLU 51 HB2 GLU 51 3.476 15.861 11.879 331 HB3 GLU 51 HB1 GLU 51 5.015 16.280 11.138 332 HG2 GLU 51 HG2 GLU 51 4.080 16.759 9.127 333 HG3 GLU 51 HG1 GLU 51 2.776 15.590 9.329 334 H ALA 52 HN ALA 52 4.224 11.985 11.918 335 HA ALA 52 HA ALA 52 1.662 11.207 11.010 336 HB1 ALA 52 HB3 ALA 52 2.816 9.349 11.588 337 HB2 ALA 52 HB1 ALA 52 1.999 9.606 13.129 338 HB3 ALA 52 HB2 ALA 52 3.662 10.151 12.911 339 H GLN 53 HN GLN 53 0.139 10.324 12.973 340 HA GLN 53 HA GLN 53 -0.907 12.750 14.141 341 HB2 GLN 53 HB2 GLN 53 -1.933 9.927 14.464 342 HB3 GLN 53 HB1 GLN 53 -2.813 11.417 14.776 343 HG2 GLN 53 HG2 GLN 53 -3.341 11.708 12.620 344 HG3 GLN 53 HG1 GLN 53 -1.761 11.171 12.053 345 HE21 GLN 53 HE21 GLN 53 -1.640 9.256 11.112 346 HE22 GLN 53 HE22 GLN 53 -2.850 8.024 11.169 347 H GLY 54 HN GLY 54 0.586 9.753 15.260 348 HA2 GLY 54 HA2 GLY 54 1.540 10.991 17.642 349 HA3 GLY 54 HA1 GLY 54 0.168 9.948 17.985 350 H ASP 55 HN ASP 55 2.278 9.184 19.267 351 HA ASP 55 HA ASP 55 4.203 7.636 17.949 352 HB2 ASP 55 HB2 ASP 55 3.184 7.833 20.736 353 HB3 ASP 55 HB1 ASP 55 4.102 6.390 20.319 354 H LYS 56 HN LYS 56 1.242 6.558 19.623 355 HA LYS 56 HA LYS 56 1.435 3.861 18.895 356 HB2 LYS 56 HB2 LYS 56 -0.183 5.206 20.544 357 HB3 LYS 56 HB1 LYS 56 -1.267 5.074 19.166 358 HG2 LYS 56 HG2 LYS 56 -1.493 2.822 19.377 359 HG3 LYS 56 HG1 LYS 56 0.121 2.612 20.061 360 HD2 LYS 56 HD2 LYS 56 -0.597 2.923 22.178 361 HD3 LYS 56 HD1 LYS 56 -1.754 4.171 21.710 362 HE2 LYS 56 HE2 LYS 56 -2.380 1.446 20.789 363 HE3 LYS 56 HE1 LYS 56 -2.443 1.689 22.534 364 HZ1 LYS 56 HZ3 LYS 56 -3.880 3.365 20.548 365 HZ2 LYS 56 HZ1 LYS 56 -4.006 3.467 22.232 366 HZ3 LYS 56 HZ2 LYS 56 -4.582 2.098 21.423 367 H ALA 57 HN ALA 57 0.132 6.635 17.202 368 HA ALA 57 HA ALA 57 -1.304 5.245 15.210 369 HB1 ALA 57 HB3 ALA 57 -1.929 7.418 15.161 370 HB2 ALA 57 HB1 ALA 57 -0.664 7.515 13.936 371 HB3 ALA 57 HB2 ALA 57 -0.324 8.004 15.596 372 H LYS 58 HN LYS 58 2.050 6.331 15.415 373 HA LYS 58 HA LYS 58 2.804 5.770 12.771 374 HB2 LYS 58 HB2 LYS 58 4.437 5.755 15.314 375 HB3 LYS 58 HB1 LYS 58 5.125 5.656 13.699 376 HG2 LYS 58 HG2 LYS 58 4.560 7.844 13.183 377 HG3 LYS 58 HG1 LYS 58 3.328 7.927 14.444 378 HD2 LYS 58 HD2 LYS 58 5.055 7.902 16.159 379 HD3 LYS 58 HD1 LYS 58 6.304 7.751 14.920 380 HE2 LYS 58 HE2 LYS 58 5.462 9.929 13.972 381 HE3 LYS 58 HE1 LYS 58 4.470 10.086 15.421 382 HZ1 LYS 58 HZ3 LYS 58 6.878 11.108 15.264 383 HZ2 LYS 58 HZ1 LYS 58 7.321 9.560 15.787 384 HZ3 LYS 58 HZ2 LYS 58 6.267 10.499 16.719 385 H GLN 59 HN GLN 59 2.950 3.767 15.699 386 HA GLN 59 HA GLN 59 4.171 1.525 14.550 387 HB2 GLN 59 HB2 GLN 59 2.415 1.942 16.942 388 HB3 GLN 59 HB1 GLN 59 2.847 0.310 16.453 389 HG2 GLN 59 HG2 GLN 59 4.948 2.400 16.858 390 HG3 GLN 59 HG1 GLN 59 4.282 1.500 18.219 391 HE21 GLN 59 HE21 GLN 59 5.306 -0.286 18.746 392 HE22 GLN 59 HE22 GLN 59 6.322 -1.224 17.711 393 H SER 60 HN SER 60 0.836 2.588 14.577 394 HA SER 60 HA SER 60 -0.286 0.142 13.646 395 HG SER 60 HG SER 60 -3.070 1.135 12.918 396 HB2 SER 60 HB2 SER 60 -1.371 2.348 14.726 397 HB3 SER 60 HB1 SER 60 -1.655 2.707 13.023 398 H ILE 61 HN ILE 61 0.738 3.138 12.055 399 HA ILE 61 HA ILE 61 -0.046 2.312 9.444 400 HB ILE 61 HB ILE 61 2.008 4.406 10.157 401 HG12 ILE 61 HG12 ILE 61 -0.892 4.961 9.593 402 HG13 ILE 61 HG11 ILE 61 -0.354 4.576 11.225 403 HG21 ILE 61 HG21 ILE 61 1.074 5.388 7.973 404 HG22 ILE 61 HG22 ILE 61 0.444 3.767 7.682 405 HG23 ILE 61 HG23 ILE 61 2.180 4.019 7.866 406 HD11 ILE 61 HD13 ILE 61 0.059 7.006 9.614 407 HD12 ILE 61 HD11 ILE 61 1.409 6.493 10.626 408 HD13 ILE 61 HD12 ILE 61 -0.165 6.814 11.353 409 H ARG 62 HN ARG 62 2.897 2.053 11.335 410 HA ARG 62 HA ARG 62 4.683 1.365 9.293 411 HE ARG 62 HE ARG 62 8.024 3.088 9.399 412 HB2 ARG 62 HB2 ARG 62 4.594 0.766 12.236 413 HB3 ARG 62 HB1 ARG 62 5.871 0.110 11.221 414 HG2 ARG 62 HG2 ARG 62 5.505 2.953 10.800 415 HG3 ARG 62 HG1 ARG 62 5.862 2.567 12.484 416 HD2 ARG 62 HD2 ARG 62 7.969 1.918 12.022 417 HD3 ARG 62 HD1 ARG 62 7.507 1.149 10.505 418 HH11 ARG 62 HH11 ARG 62 7.834 3.747 12.820 419 HH12 ARG 62 HH12 ARG 62 8.465 5.353 12.673 420 HH21 ARG 62 HH21 ARG 62 8.855 5.199 9.203 421 HH22 ARG 62 HH22 ARG 62 9.044 6.178 10.619 422 H ALA 63 HN ALA 63 2.592 -0.665 11.313 423 HA ALA 63 HA ALA 63 3.452 -3.120 10.141 424 HB1 ALA 63 HB3 ALA 63 2.588 -3.453 12.244 425 HB2 ALA 63 HB1 ALA 63 1.209 -3.904 11.241 426 HB3 ALA 63 HB2 ALA 63 1.264 -2.313 12.000 427 H LYS 64 HN LYS 64 1.020 -0.754 9.371 428 HA LYS 64 HA LYS 64 -0.458 -2.468 7.597 429 HB2 LYS 64 HB2 LYS 64 -0.508 0.529 7.985 430 HB3 LYS 64 HB1 LYS 64 -1.617 -0.359 6.949 431 HG2 LYS 64 HG2 LYS 64 -2.757 -1.272 8.712 432 HG3 LYS 64 HG1 LYS 64 -1.375 -1.159 9.804 433 HD2 LYS 64 HD2 LYS 64 -2.466 0.608 10.659 434 HD3 LYS 64 HD1 LYS 64 -1.845 1.465 9.248 435 HE2 LYS 64 HE2 LYS 64 -4.111 1.963 9.203 436 HE3 LYS 64 HE1 LYS 64 -3.979 0.615 8.074 437 HZ1 LYS 64 HZ3 LYS 64 -4.672 -0.874 9.878 438 HZ2 LYS 64 HZ1 LYS 64 -5.849 0.290 9.529 439 HZ3 LYS 64 HZ2 LYS 64 -4.875 0.457 10.901 440 H CYS 65 HN CYS 65 1.853 0.202 7.205 441 HA CYS 65 HA CYS 65 1.840 0.275 4.406 442 HG CYS 65 HG CYS 65 4.595 -0.002 7.058 443 HB2 CYS 65 HB2 CYS 65 3.893 1.527 4.569 444 HB3 CYS 65 HB1 CYS 65 2.839 2.016 5.891 445 H THR 66 HN THR 66 3.546 -1.789 6.661 446 HA THR 66 HA THR 66 5.276 -2.921 4.658 447 HB THR 66 HB THR 66 5.955 -2.776 7.027 448 HG1 THR 66 HG1 THR 66 6.748 -4.467 5.601 449 HG21 THR 66 HG23 THR 66 5.080 -4.456 8.620 450 HG22 THR 66 HG21 THR 66 3.780 -4.802 7.479 451 HG23 THR 66 HG22 THR 66 3.918 -3.198 8.200 452 H GLU 67 HN GLU 67 2.181 -3.684 6.087 453 HA GLU 67 HA GLU 67 1.982 -6.370 5.283 454 HB2 GLU 67 HB2 GLU 67 0.467 -5.345 6.921 455 HB3 GLU 67 HB1 GLU 67 -0.217 -4.328 5.659 456 HG2 GLU 67 HG2 GLU 67 -1.442 -6.013 4.767 457 HG3 GLU 67 HG1 GLU 67 -0.270 -7.252 5.214 458 H TYR 68 HN TYR 68 0.887 -3.384 3.695 459 HA TYR 68 HA TYR 68 -0.112 -4.720 1.385 460 HD1 TYR 68 HD2 TYR 68 -2.265 -4.104 1.829 461 HD2 TYR 68 HD1 TYR 68 -0.467 -0.469 3.116 462 HE1 TYR 68 HE2 TYR 68 -4.191 -3.677 3.296 463 HE2 TYR 68 HE1 TYR 68 -2.388 -0.033 4.587 464 HH TYR 68 HH TYR 68 -5.294 -1.812 4.393 465 HB2 TYR 68 HB2 TYR 68 0.690 -1.816 1.651 466 HB3 TYR 68 HB1 TYR 68 -0.387 -2.506 0.442 467 H LEU 69 HN LEU 69 2.965 -3.303 2.278 468 HA LEU 69 HA LEU 69 4.148 -3.160 -0.256 469 HG LEU 69 HG LEU 69 4.625 -1.132 1.591 470 HB2 LEU 69 HB2 LEU 69 5.165 -3.357 2.538 471 HB3 LEU 69 HB1 LEU 69 6.298 -3.619 1.225 472 HD11 LEU 69 HD11 LEU 69 6.490 -0.061 2.474 473 HD12 LEU 69 HD12 LEU 69 7.596 -1.317 1.919 474 HD13 LEU 69 HD13 LEU 69 6.508 -1.634 3.270 475 HD21 LEU 69 HD23 LEU 69 6.641 -1.993 -0.452 476 HD22 LEU 69 HD21 LEU 69 6.372 -0.286 -0.099 477 HD23 LEU 69 HD22 LEU 69 5.044 -1.284 -0.694 478 H ASP 70 HN ASP 70 4.070 -5.798 2.112 479 HA ASP 70 HA ASP 70 5.706 -7.577 0.656 480 HB2 ASP 70 HB2 ASP 70 4.807 -7.629 3.148 481 HB3 ASP 70 HB1 ASP 70 3.542 -8.622 2.429 482 H ARG 71 HN ARG 71 2.187 -7.172 0.810 483 HA ARG 71 HA ARG 71 1.567 -9.325 -0.918 484 HE ARG 71 HE ARG 71 -2.552 -9.833 -2.775 485 HB2 ARG 71 HB2 ARG 71 -0.076 -8.322 0.613 486 HB3 ARG 71 HB1 ARG 71 -0.032 -6.830 -0.316 487 HG2 ARG 71 HG2 ARG 71 -1.993 -8.063 -0.916 488 HG3 ARG 71 HG1 ARG 71 -0.873 -8.078 -2.280 489 HD2 ARG 71 HD2 ARG 71 -0.113 -10.310 -1.602 490 HD3 ARG 71 HD1 ARG 71 -1.279 -10.290 -0.279 491 HH11 ARG 71 HH11 ARG 71 -1.166 -12.360 -0.807 492 HH12 ARG 71 HH12 ARG 71 -2.151 -13.600 -1.494 493 HH21 ARG 71 HH21 ARG 71 -3.848 -11.470 -3.680 494 HH22 ARG 71 HH22 ARG 71 -3.674 -13.100 -3.125 495 H ALA 72 HN ALA 72 1.887 -5.831 -1.484 496 HA ALA 72 HA ALA 72 1.337 -5.966 -4.263 497 HB1 ALA 72 HB3 ALA 72 1.339 -3.937 -2.600 498 HB2 ALA 72 HB1 ALA 72 1.708 -3.702 -4.309 499 HB3 ALA 72 HB2 ALA 72 3.015 -3.781 -3.127 500 H GLU 73 HN GLU 73 4.258 -6.249 -2.352 501 HA GLU 73 HA GLU 73 6.160 -5.905 -4.379 502 HB2 GLU 73 HB2 GLU 73 6.124 -7.224 -1.711 503 HB3 GLU 73 HB1 GLU 73 7.452 -7.618 -2.793 504 HG2 GLU 73 HG2 GLU 73 8.244 -5.428 -2.816 505 HG3 GLU 73 HG1 GLU 73 6.723 -4.775 -2.208 506 H LYS 74 HN LYS 74 4.465 -8.808 -3.260 507 HA LYS 74 HA LYS 74 5.817 -10.550 -5.077 508 HB2 LYS 74 HB2 LYS 74 3.489 -10.810 -3.214 509 HB3 LYS 74 HB1 LYS 74 3.760 -12.050 -4.427 510 HG2 LYS 74 HG2 LYS 74 6.202 -12.000 -3.457 511 HG3 LYS 74 HG1 LYS 74 5.385 -11.340 -2.043 512 HD2 LYS 74 HD2 LYS 74 4.472 -13.860 -3.394 513 HD3 LYS 74 HD1 LYS 74 5.679 -13.860 -2.105 514 HE2 LYS 74 HE2 LYS 74 4.159 -13.370 -0.500 515 HE3 LYS 74 HE1 LYS 74 3.196 -12.350 -1.572 516 HZ1 LYS 74 HZ3 LYS 74 2.420 -14.440 -2.651 517 HZ2 LYS 74 HZ1 LYS 74 1.925 -14.270 -1.042 518 HZ3 LYS 74 HZ2 LYS 74 3.195 -15.320 -1.430 519 H LEU 75 HN LEU 75 2.725 -8.857 -5.062 520 HA LEU 75 HA LEU 75 1.567 -10.050 -7.304 521 HG LEU 75 HG LEU 75 -0.586 -9.573 -7.337 522 HB2 LEU 75 HB2 LEU 75 1.068 -7.777 -5.628 523 HB3 LEU 75 HB1 LEU 75 0.824 -7.324 -7.304 524 HD11 LEU 75 HD11 LEU 75 -0.949 -8.654 -4.494 525 HD12 LEU 75 HD12 LEU 75 0.030 -10.040 -4.953 526 HD13 LEU 75 HD13 LEU 75 -1.701 -10.030 -5.291 527 HD21 LEU 75 HD23 LEU 75 -2.585 -8.198 -6.782 528 HD22 LEU 75 HD21 LEU 75 -1.495 -7.441 -7.943 529 HD23 LEU 75 HD22 LEU 75 -1.498 -6.910 -6.261 530 H LYS 76 HN LYS 76 3.502 -7.069 -7.105 531 HA LYS 76 HA LYS 76 3.553 -6.623 -9.902 532 HB2 LYS 76 HB2 LYS 76 5.277 -4.970 -9.422 533 HB3 LYS 76 HB1 LYS 76 3.965 -4.839 -8.259 534 HG2 LYS 76 HG2 LYS 76 5.411 -6.316 -6.748 535 HG3 LYS 76 HG1 LYS 76 6.728 -5.921 -7.855 536 HD2 LYS 76 HD2 LYS 76 5.808 -3.458 -7.435 537 HD3 LYS 76 HD1 LYS 76 5.281 -4.196 -5.921 538 HE2 LYS 76 HE2 LYS 76 7.531 -4.876 -5.410 539 HE3 LYS 76 HE1 LYS 76 8.098 -4.326 -6.986 540 HZ1 LYS 76 HZ3 LYS 76 8.677 -2.604 -5.585 541 HZ2 LYS 76 HZ1 LYS 76 7.265 -2.722 -4.659 542 HZ3 LYS 76 HZ2 LYS 76 7.204 -2.059 -6.214 543 H GLU 77 HN GLU 77 5.472 -8.562 -7.750 544 HA GLU 77 HA GLU 77 7.821 -8.868 -9.185 545 HB2 GLU 77 HB2 GLU 77 7.139 -9.806 -6.875 546 HB3 GLU 77 HB1 GLU 77 6.517 -11.180 -7.778 547 HG2 GLU 77 HG2 GLU 77 8.728 -11.580 -8.712 548 HG3 GLU 77 HG1 GLU 77 9.358 -10.180 -7.838 549 H TYR 78 HN TYR 78 4.952 -10.990 -9.337 550 HA TYR 78 HA TYR 78 5.927 -12.480 -11.530 551 HD1 TYR 78 HD1 TYR 78 2.311 -12.150 -12.930 552 HD2 TYR 78 HD2 TYR 78 2.523 -11.870 -8.691 553 HE1 TYR 78 HE1 TYR 78 0.115 -11.050 -12.900 554 HE2 TYR 78 HE2 TYR 78 0.326 -10.770 -8.650 555 HH TYR 78 HH TYR 78 -1.062 -9.346 -11.120 556 HB2 TYR 78 HB2 TYR 78 3.859 -13.610 -11.520 557 HB3 TYR 78 HB1 TYR 78 4.120 -13.160 -9.846 558 H LEU 79 HN LEU 79 3.893 -9.636 -11.270 559 HA LEU 79 HA LEU 79 2.984 -9.536 -13.920 560 HG LEU 79 HG LEU 79 1.502 -8.953 -11.480 561 HB2 LEU 79 HB2 LEU 79 3.418 -7.407 -11.840 562 HB3 LEU 79 HB1 LEU 79 2.777 -7.036 -13.430 563 HD11 LEU 79 HD11 LEU 79 1.616 -6.283 -11.130 564 HD12 LEU 79 HD12 LEU 79 0.260 -7.289 -10.620 565 HD13 LEU 79 HD13 LEU 79 0.181 -6.412 -12.150 566 HD21 LEU 79 HD23 LEU 79 0.991 -9.454 -13.810 567 HD22 LEU 79 HD21 LEU 79 0.512 -7.779 -14.080 568 HD23 LEU 79 HD22 LEU 79 -0.424 -8.800 -12.980 569 H LYS 80 HN LYS 80 5.894 -8.250 -12.380 570 HA LYS 80 HA LYS 80 6.819 -6.950 -14.770 571 HB2 LYS 80 HB2 LYS 80 7.817 -7.337 -12.010 572 HB3 LYS 80 HB1 LYS 80 9.034 -7.071 -13.250 573 HG2 LYS 80 HG2 LYS 80 7.447 -5.073 -13.900 574 HG3 LYS 80 HG1 LYS 80 6.940 -5.236 -12.210 575 HD2 LYS 80 HD2 LYS 80 9.851 -5.259 -12.690 576 HD3 LYS 80 HD1 LYS 80 9.031 -3.731 -13.020 577 HE2 LYS 80 HE2 LYS 80 7.911 -4.318 -10.660 578 HE3 LYS 80 HE1 LYS 80 9.447 -5.159 -10.460 579 HZ1 LYS 80 HZ3 LYS 80 9.540 -2.422 -11.470 580 HZ2 LYS 80 HZ1 LYS 80 10.608 -3.229 -10.440 581 HZ3 LYS 80 HZ2 LYS 80 9.145 -2.627 -9.843 582 H ASN 81 HN ASN 81 7.281 -10.050 -13.230 583 HA ASN 81 HA ASN 81 9.556 -10.850 -14.730 584 HB2 ASN 81 HB2 ASN 81 8.317 -11.870 -12.560 585 HB3 ASN 81 HB1 ASN 81 7.649 -12.930 -13.800 586 HD21 ASN 81 HD21 ASN 81 10.655 -11.700 -12.440 587 HD22 ASN 81 HD22 ASN 81 11.614 -13.080 -12.840 Start of MODEL 16 1 H ASN 10 HN ASN 10 -2.281 13.458 5.106 2 HA ASN 10 HA ASN 10 -2.311 12.065 2.538 3 HB2 ASN 10 HB2 ASN 10 -0.146 12.142 4.651 4 HB3 ASN 10 HB1 ASN 10 0.007 11.490 3.022 5 HD21 ASN 10 HD21 ASN 10 -0.093 12.951 1.246 6 HD22 ASN 10 HD22 ASN 10 0.344 14.609 1.453 7 H LEU 11 HN LEU 11 -2.567 11.469 5.971 8 HA LEU 11 HA LEU 11 -2.228 8.656 5.879 9 HG LEU 11 HG LEU 11 -3.921 7.700 7.900 10 HB2 LEU 11 HB2 LEU 11 -1.999 9.975 7.940 11 HB3 LEU 11 HB1 LEU 11 -3.711 10.351 7.889 12 HD11 LEU 11 HD11 LEU 11 -1.599 7.169 7.862 13 HD12 LEU 11 HD12 LEU 11 -2.205 6.793 9.475 14 HD13 LEU 11 HD13 LEU 11 -1.267 8.263 9.205 15 HD21 LEU 11 HD23 LEU 11 -5.062 8.674 9.601 16 HD22 LEU 11 HD21 LEU 11 -3.717 9.723 10.051 17 HD23 LEU 11 HD22 LEU 11 -3.716 8.028 10.540 18 H GLN 12 HN GLN 12 -5.106 10.735 5.877 19 HA GLN 12 HA GLN 12 -7.029 8.702 5.873 20 HB2 GLN 12 HB2 GLN 12 -7.374 11.205 6.216 21 HB3 GLN 12 HB1 GLN 12 -7.346 11.349 4.464 22 HG2 GLN 12 HG2 GLN 12 -9.201 9.555 4.520 23 HG3 GLN 12 HG1 GLN 12 -9.365 10.013 6.215 24 HE21 GLN 12 HE21 GLN 12 -10.810 10.436 3.443 25 HE22 GLN 12 HE22 GLN 12 -11.340 12.076 3.566 26 H LYS 13 HN LYS 13 -5.182 10.153 3.264 27 HA LYS 13 HA LYS 13 -6.683 8.866 1.180 28 HB2 LYS 13 HB2 LYS 13 -5.311 11.047 1.032 29 HB3 LYS 13 HB1 LYS 13 -3.912 9.995 0.870 30 HG2 LYS 13 HG2 LYS 13 -6.122 9.324 -0.924 31 HG3 LYS 13 HG1 LYS 13 -5.431 10.926 -1.189 32 HD2 LYS 13 HD2 LYS 13 -3.195 9.920 -1.349 33 HD3 LYS 13 HD1 LYS 13 -3.905 8.322 -1.113 34 HE2 LYS 13 HE2 LYS 13 -3.411 8.955 -3.501 35 HE3 LYS 13 HE1 LYS 13 -5.063 8.431 -3.175 36 HZ1 LYS 13 HZ3 LYS 13 -5.886 10.529 -3.474 37 HZ2 LYS 13 HZ1 LYS 13 -4.599 10.563 -4.572 38 HZ3 LYS 13 HZ2 LYS 13 -4.437 11.296 -3.057 39 H ALA 14 HN ALA 14 -3.819 8.160 3.051 40 HA ALA 14 HA ALA 14 -2.772 6.115 1.401 41 HB1 ALA 14 HB3 ALA 14 -2.425 6.226 4.382 42 HB2 ALA 14 HB1 ALA 14 -1.612 7.359 3.302 43 HB3 ALA 14 HB2 ALA 14 -1.300 5.629 3.161 44 H ILE 15 HN ILE 15 -5.096 6.116 4.054 45 HA ILE 15 HA ILE 15 -5.305 3.259 4.175 46 HB ILE 15 HB ILE 15 -7.277 5.278 5.243 47 HG12 ILE 15 HG12 ILE 15 -5.014 4.042 6.802 48 HG13 ILE 15 HG11 ILE 15 -4.824 5.575 5.958 49 HG21 ILE 15 HG21 ILE 15 -7.896 3.531 6.794 50 HG22 ILE 15 HG22 ILE 15 -6.658 2.465 6.131 51 HG23 ILE 15 HG23 ILE 15 -8.038 2.935 5.140 52 HD11 ILE 15 HD13 ILE 15 -5.788 6.664 7.621 53 HD12 ILE 15 HD11 ILE 15 -5.812 5.154 8.532 54 HD13 ILE 15 HD12 ILE 15 -7.205 5.615 7.553 55 H ASP 16 HN ASP 16 -7.010 5.846 2.532 56 HA ASP 16 HA ASP 16 -9.307 4.447 1.753 57 HB2 ASP 16 HB2 ASP 16 -8.643 6.981 1.515 58 HB3 ASP 16 HB1 ASP 16 -8.062 6.473 -0.068 59 H LEU 17 HN LEU 17 -6.119 4.699 0.251 60 HA LEU 17 HA LEU 17 -6.840 3.210 -2.080 61 HG LEU 17 HG LEU 17 -5.730 5.740 -1.846 62 HB2 LEU 17 HB2 LEU 17 -4.117 3.812 -0.924 63 HB3 LEU 17 HB1 LEU 17 -4.419 3.163 -2.524 64 HD11 LEU 17 HD11 LEU 17 -3.564 6.858 -2.663 65 HD12 LEU 17 HD12 LEU 17 -2.774 5.367 -2.151 66 HD13 LEU 17 HD13 LEU 17 -3.659 6.344 -0.979 67 HD21 LEU 17 HD23 LEU 17 -5.691 4.286 -4.066 68 HD22 LEU 17 HD21 LEU 17 -4.212 5.208 -4.338 69 HD23 LEU 17 HD22 LEU 17 -5.743 6.049 -4.100 70 H ALA 18 HN ALA 18 -5.206 2.447 0.964 71 HA ALA 18 HA ALA 18 -4.468 -0.187 0.372 72 HB1 ALA 18 HB3 ALA 18 -4.844 -0.345 3.019 73 HB2 ALA 18 HB1 ALA 18 -4.828 1.408 2.833 74 HB3 ALA 18 HB2 ALA 18 -3.450 0.452 2.289 75 H SER 19 HN SER 19 -7.438 1.105 1.818 76 HA SER 19 HA SER 19 -8.681 -1.344 2.370 77 HG SER 19 HG SER 19 -9.120 0.140 4.103 78 HB2 SER 19 HB2 SER 19 -9.943 1.318 1.667 79 HB3 SER 19 HB1 SER 19 -10.790 -0.048 2.392 80 H LYS 20 HN LYS 20 -8.903 0.749 -0.495 81 HA LYS 20 HA LYS 20 -10.650 -0.991 -1.908 82 HB2 LYS 20 HB2 LYS 20 -9.989 1.586 -2.231 83 HB3 LYS 20 HB1 LYS 20 -8.907 0.871 -3.419 84 HG2 LYS 20 HG2 LYS 20 -10.890 -0.272 -4.416 85 HG3 LYS 20 HG1 LYS 20 -11.900 0.682 -3.327 86 HD2 LYS 20 HD2 LYS 20 -11.940 2.087 -5.110 87 HD3 LYS 20 HD1 LYS 20 -10.440 2.654 -4.379 88 HE2 LYS 20 HE2 LYS 20 -9.138 1.709 -5.991 89 HE3 LYS 20 HE1 LYS 20 -10.260 0.380 -6.271 90 HZ1 LYS 20 HZ3 LYS 20 -10.620 1.554 -8.153 91 HZ2 LYS 20 HZ1 LYS 20 -10.190 3.039 -7.465 92 HZ3 LYS 20 HZ2 LYS 20 -11.720 2.378 -7.168 93 H ALA 21 HN ALA 21 -7.169 -0.575 -1.787 94 HA ALA 21 HA ALA 21 -6.529 -2.211 -3.998 95 HB1 ALA 21 HB3 ALA 21 -5.009 -0.568 -2.830 96 HB2 ALA 21 HB1 ALA 21 -4.289 -2.124 -3.242 97 HB3 ALA 21 HB2 ALA 21 -4.785 -1.794 -1.582 98 H ALA 22 HN ALA 22 -6.695 -2.906 -0.514 99 HA ALA 22 HA ALA 22 -5.927 -5.594 -0.643 100 HB1 ALA 22 HB3 ALA 22 -7.467 -5.663 1.514 101 HB2 ALA 22 HB1 ALA 22 -7.382 -3.911 1.323 102 HB3 ALA 22 HB2 ALA 22 -5.902 -4.851 1.511 103 H GLN 23 HN GLN 23 -9.056 -4.052 -1.087 104 HA GLN 23 HA GLN 23 -10.520 -6.515 -1.161 105 HB2 GLN 23 HB2 GLN 23 -11.180 -3.654 -1.798 106 HB3 GLN 23 HB1 GLN 23 -12.310 -4.946 -2.187 107 HG2 GLN 23 HG2 GLN 23 -12.410 -5.594 0.144 108 HG3 GLN 23 HG1 GLN 23 -11.220 -4.362 0.558 109 HE21 GLN 23 HE21 GLN 23 -14.300 -4.607 -1.192 110 HE22 GLN 23 HE22 GLN 23 -14.990 -3.177 -0.514 111 H GLU 24 HN GLU 24 -8.945 -4.449 -3.494 112 HA GLU 24 HA GLU 24 -10.150 -5.504 -5.824 113 HB2 GLU 24 HB2 GLU 24 -7.551 -4.063 -5.335 114 HB3 GLU 24 HB1 GLU 24 -8.036 -4.594 -6.939 115 HG2 GLU 24 HG2 GLU 24 -10.000 -3.007 -5.402 116 HG3 GLU 24 HG1 GLU 24 -8.567 -2.166 -5.991 117 H ASP 25 HN ASP 25 -7.074 -6.252 -4.204 118 HA ASP 25 HA ASP 25 -6.223 -8.242 -5.981 119 HB2 ASP 25 HB2 ASP 25 -4.781 -7.171 -4.264 120 HB3 ASP 25 HB1 ASP 25 -5.649 -8.060 -3.016 121 H LYS 26 HN LYS 26 -8.028 -8.515 -2.929 122 HA LYS 26 HA LYS 26 -8.288 -11.320 -2.992 123 HB2 LYS 26 HB2 LYS 26 -9.700 -9.113 -1.547 124 HB3 LYS 26 HB1 LYS 26 -10.340 -10.740 -1.474 125 HG2 LYS 26 HG2 LYS 26 -8.085 -11.490 -0.674 126 HG3 LYS 26 HG1 LYS 26 -7.657 -9.787 -0.534 127 HD2 LYS 26 HD2 LYS 26 -8.961 -9.473 1.291 128 HD3 LYS 26 HD1 LYS 26 -10.190 -10.600 0.733 129 HE2 LYS 26 HE2 LYS 26 -7.582 -11.760 1.466 130 HE3 LYS 26 HE1 LYS 26 -8.546 -11.110 2.789 131 HZ1 LYS 26 HZ3 LYS 26 -9.439 -13.160 2.736 132 HZ2 LYS 26 HZ1 LYS 26 -9.031 -13.430 1.117 133 HZ3 LYS 26 HZ2 LYS 26 -10.390 -12.510 1.499 134 H ALA 27 HN ALA 27 -10.170 -8.725 -4.389 135 HA ALA 27 HA ALA 27 -12.450 -10.270 -5.073 136 HB1 ALA 27 HB3 ALA 27 -13.100 -8.408 -6.451 137 HB2 ALA 27 HB1 ALA 27 -11.470 -7.747 -6.387 138 HB3 ALA 27 HB2 ALA 27 -12.450 -7.808 -4.925 139 H GLY 28 HN GLY 28 -9.589 -9.257 -6.924 140 HA2 GLY 28 HA2 GLY 28 -9.081 -11.490 -8.335 141 HA3 GLY 28 HA1 GLY 28 -10.410 -10.790 -9.233 142 H ASN 29 HN ASN 29 -9.580 -8.046 -8.654 143 HA ASN 29 HA ASN 29 -7.789 -7.722 -10.850 144 HB2 ASN 29 HB2 ASN 29 -8.714 -5.627 -8.884 145 HB3 ASN 29 HB1 ASN 29 -8.051 -5.344 -10.490 146 HD21 ASN 29 HD21 ASN 29 -10.350 -4.176 -10.010 147 HD22 ASN 29 HD22 ASN 29 -11.660 -4.983 -10.790 148 H TYR 30 HN TYR 30 -5.661 -7.928 -10.750 149 HA TYR 30 HA TYR 30 -4.307 -7.478 -8.191 150 HD1 TYR 30 HD2 TYR 30 -5.873 -9.659 -8.707 151 HD2 TYR 30 HD1 TYR 30 -1.737 -10.610 -8.418 152 HE1 TYR 30 HE2 TYR 30 -6.415 -11.530 -7.213 153 HE2 TYR 30 HE1 TYR 30 -2.267 -12.490 -6.925 154 HH TYR 30 HH TYR 30 -4.019 -13.220 -5.443 155 HB2 TYR 30 HB2 TYR 30 -3.666 -9.152 -10.590 156 HB3 TYR 30 HB1 TYR 30 -2.377 -8.651 -9.506 157 H GLU 31 HN GLU 31 -4.221 -6.618 -11.610 158 HA GLU 31 HA GLU 31 -1.888 -5.069 -11.580 159 HB2 GLU 31 HB2 GLU 31 -4.306 -5.213 -13.320 160 HB3 GLU 31 HB1 GLU 31 -3.233 -3.832 -13.510 161 HG2 GLU 31 HG2 GLU 31 -1.390 -5.247 -14.050 162 HG3 GLU 31 HG1 GLU 31 -2.315 -6.692 -13.640 163 H GLU 32 HN GLU 32 -5.282 -4.000 -11.330 164 HA GLU 32 HA GLU 32 -4.704 -1.300 -10.820 165 HB2 GLU 32 HB2 GLU 32 -6.932 -2.273 -11.500 166 HB3 GLU 32 HB1 GLU 32 -7.129 -2.803 -9.837 167 HG2 GLU 32 HG2 GLU 32 -8.212 -0.846 -9.644 168 HG3 GLU 32 HG1 GLU 32 -6.581 -0.218 -9.412 169 H ALA 33 HN ALA 33 -5.016 -4.073 -8.687 170 HA ALA 33 HA ALA 33 -5.079 -2.668 -6.244 171 HB1 ALA 33 HB3 ALA 33 -3.798 -5.349 -6.389 172 HB2 ALA 33 HB1 ALA 33 -5.499 -5.202 -6.830 173 HB3 ALA 33 HB2 ALA 33 -4.959 -4.712 -5.225 174 H LEU 34 HN LEU 34 -2.421 -3.875 -8.227 175 HA LEU 34 HA LEU 34 -0.329 -3.449 -6.415 176 HG LEU 34 HG LEU 34 1.844 -2.446 -8.421 177 HB2 LEU 34 HB2 LEU 34 -0.131 -4.731 -8.518 178 HB3 LEU 34 HB1 LEU 34 -0.257 -3.236 -9.426 179 HD11 LEU 34 HD11 LEU 34 3.223 -3.948 -7.104 180 HD12 LEU 34 HD12 LEU 34 1.965 -5.182 -7.160 181 HD13 LEU 34 HD13 LEU 34 1.678 -3.668 -6.302 182 HD21 LEU 34 HD23 LEU 34 1.558 -4.163 -10.460 183 HD22 LEU 34 HD21 LEU 34 2.607 -5.116 -9.417 184 HD23 LEU 34 HD22 LEU 34 3.115 -3.514 -9.952 185 H GLN 35 HN GLN 35 -1.656 -1.312 -8.928 186 HA GLN 35 HA GLN 35 0.086 0.842 -8.513 187 HB2 GLN 35 HB2 GLN 35 -2.596 0.496 -9.756 188 HB3 GLN 35 HB1 GLN 35 -2.080 2.135 -9.381 189 HG2 GLN 35 HG2 GLN 35 -0.059 0.527 -10.750 190 HG3 GLN 35 HG1 GLN 35 -1.530 0.801 -11.680 191 HE21 GLN 35 HE21 GLN 35 0.841 2.526 -9.698 192 HE22 GLN 35 HE22 GLN 35 0.839 3.973 -10.640 193 H LEU 36 HN LEU 36 -2.895 -0.084 -6.903 194 HA LEU 36 HA LEU 36 -3.114 2.350 -5.399 195 HG LEU 36 HG LEU 36 -4.880 0.922 -7.181 196 HB2 LEU 36 HB2 LEU 36 -4.432 -0.316 -4.883 197 HB3 LEU 36 HB1 LEU 36 -4.914 1.232 -4.216 198 HD11 LEU 36 HD11 LEU 36 -6.118 -1.017 -5.793 199 HD12 LEU 36 HD12 LEU 36 -6.702 -0.396 -7.337 200 HD13 LEU 36 HD13 LEU 36 -7.396 0.197 -5.828 201 HD21 LEU 36 HD23 LEU 36 -7.083 2.282 -6.632 202 HD22 LEU 36 HD21 LEU 36 -5.499 3.056 -6.673 203 HD23 LEU 36 HD22 LEU 36 -6.217 2.600 -5.129 204 H TYR 37 HN TYR 37 -1.845 -0.888 -4.819 205 HA TYR 37 HA TYR 37 -1.398 -0.669 -2.063 206 HD1 TYR 37 HD1 TYR 37 -2.210 -2.271 -1.184 207 HD2 TYR 37 HD2 TYR 37 -1.045 -4.323 -4.725 208 HE1 TYR 37 HE1 TYR 37 -4.018 -3.900 -0.828 209 HE2 TYR 37 HE2 TYR 37 -2.851 -5.956 -4.379 210 HH TYR 37 HH TYR 37 -4.200 -6.725 -1.963 211 HB2 TYR 37 HB2 TYR 37 -0.035 -2.291 -4.209 212 HB3 TYR 37 HB1 TYR 37 0.412 -2.417 -2.511 213 H GLN 38 HN GLN 38 0.669 0.164 -4.817 214 HA GLN 38 HA GLN 38 2.924 0.919 -3.283 215 HB2 GLN 38 HB2 GLN 38 2.075 1.717 -6.072 216 HB3 GLN 38 HB1 GLN 38 3.642 2.093 -5.369 217 HG2 GLN 38 HG2 GLN 38 4.042 -0.339 -5.094 218 HG3 GLN 38 HG1 GLN 38 2.530 -0.640 -5.949 219 HE21 GLN 38 HE21 GLN 38 3.542 -1.717 -7.626 220 HE22 GLN 38 HE22 GLN 38 4.506 -0.903 -8.806 221 H HIS 39 HN HIS 39 0.188 2.740 -4.595 222 HA HIS 39 HA HIS 39 1.073 5.310 -3.921 223 HD1 HIS 39 HD1 HIS 39 -2.723 6.305 -6.121 224 HD2 HIS 39 HD2 HIS 39 1.349 5.477 -6.138 225 HE1 HIS 39 HE1 HIS 39 -1.842 7.308 -8.252 226 HE2 HIS 39 HE2 HIS 39 0.639 6.871 -8.198 227 HB2 HIS 39 HB2 HIS 39 -1.551 4.063 -4.547 228 HB3 HIS 39 HB1 HIS 39 -1.586 5.626 -3.737 229 H ALA 40 HN ALA 40 -0.856 2.972 -2.083 230 HA ALA 40 HA ALA 40 -1.411 4.585 0.135 231 HB1 ALA 40 HB3 ALA 40 -1.055 1.592 0.018 232 HB2 ALA 40 HB1 ALA 40 -2.555 2.478 -0.257 233 HB3 ALA 40 HB2 ALA 40 -1.808 2.483 1.341 234 H VAL 41 HN VAL 41 1.342 2.467 -0.551 235 HA VAL 41 HA VAL 41 2.602 2.731 1.960 236 HB VAL 41 HB VAL 41 3.960 2.215 -0.689 237 HG11 VAL 41 HG11 VAL 41 5.702 1.211 0.560 238 HG12 VAL 41 HG12 VAL 41 4.763 1.267 2.051 239 HG13 VAL 41 HG13 VAL 41 5.369 2.760 1.334 240 HG21 VAL 41 HG23 VAL 41 3.207 0.098 -0.721 241 HG22 VAL 41 HG21 VAL 41 1.909 0.727 0.294 242 HG23 VAL 41 HG22 VAL 41 3.299 -0.069 1.032 243 H GLN 42 HN GLN 42 2.633 4.696 -0.935 244 HA GLN 42 HA GLN 42 4.896 6.272 -0.283 245 HB2 GLN 42 HB2 GLN 42 2.637 6.469 -2.211 246 HB3 GLN 42 HB1 GLN 42 3.537 7.939 -1.862 247 HG2 GLN 42 HG2 GLN 42 4.802 5.368 -2.775 248 HG3 GLN 42 HG1 GLN 42 4.333 6.682 -3.853 249 HE21 GLN 42 HE21 GLN 42 5.184 8.891 -3.001 250 HE22 GLN 42 HE22 GLN 42 6.859 8.907 -2.579 251 H TYR 43 HN TYR 43 1.414 6.735 0.218 252 HA TYR 43 HA TYR 43 1.743 9.261 1.527 253 HD1 TYR 43 HD1 TYR 43 0.144 10.842 0.287 254 HD2 TYR 43 HD2 TYR 43 -1.213 6.937 -0.719 255 HE1 TYR 43 HE1 TYR 43 -0.351 11.608 -1.997 256 HE2 TYR 43 HE2 TYR 43 -1.710 7.692 -3.005 257 HH TYR 43 HH TYR 43 -0.517 10.282 -4.388 258 HB2 TYR 43 HB2 TYR 43 -0.636 7.391 1.477 259 HB3 TYR 43 HB1 TYR 43 -0.657 9.059 2.039 260 H PHE 44 HN PHE 44 1.521 5.919 2.539 261 HA PHE 44 HA PHE 44 1.054 6.403 5.291 262 HD1 PHE 44 HD2 PHE 44 -0.280 5.332 6.327 263 HD2 PHE 44 HD1 PHE 44 0.327 2.606 3.116 264 HE1 PHE 44 HE2 PHE 44 -2.630 4.622 6.491 265 HE2 PHE 44 HE1 PHE 44 -2.022 1.891 3.273 266 HZ PHE 44 HZ PHE 44 -3.504 2.899 4.963 267 HB2 PHE 44 HB2 PHE 44 2.017 4.065 3.688 268 HB3 PHE 44 HB1 PHE 44 2.153 4.020 5.442 269 H LEU 45 HN LEU 45 3.981 6.047 3.356 270 HA LEU 45 HA LEU 45 5.749 6.114 5.609 271 HG LEU 45 HG LEU 45 5.644 4.137 3.376 272 HB2 LEU 45 HB2 LEU 45 6.215 6.447 2.649 273 HB3 LEU 45 HB1 LEU 45 7.506 6.469 3.836 274 HD11 LEU 45 HD11 LEU 45 8.265 4.888 2.197 275 HD12 LEU 45 HD12 LEU 45 6.896 4.044 1.473 276 HD13 LEU 45 HD13 LEU 45 7.974 3.190 2.578 277 HD21 LEU 45 HD23 LEU 45 6.361 3.799 5.518 278 HD22 LEU 45 HD21 LEU 45 7.861 4.695 5.277 279 HD23 LEU 45 HD22 LEU 45 7.697 3.060 4.635 280 H HIS 46 HN HIS 46 4.345 8.470 3.451 281 HA HIS 46 HA HIS 46 6.082 10.622 3.969 282 HD1 HIS 46 HD1 HIS 46 5.838 12.746 1.680 283 HD2 HIS 46 HD2 HIS 46 2.711 13.231 4.373 284 HE1 HIS 46 HE1 HIS 46 5.572 15.231 1.960 285 HE2 HIS 46 HE2 HIS 46 3.731 15.499 3.660 286 HB2 HIS 46 HB2 HIS 46 4.468 10.599 2.106 287 HB3 HIS 46 HB1 HIS 46 3.141 10.698 3.259 288 H VAL 47 HN VAL 47 2.882 9.902 5.377 289 HA VAL 47 HA VAL 47 2.889 11.964 7.265 290 HB VAL 47 HB VAL 47 0.867 10.701 6.678 291 HG11 VAL 47 HG11 VAL 47 2.153 8.470 6.713 292 HG12 VAL 47 HG12 VAL 47 0.478 8.484 7.265 293 HG13 VAL 47 HG13 VAL 47 1.793 8.462 8.439 294 HG21 VAL 47 HG23 VAL 47 0.041 10.336 9.056 295 HG22 VAL 47 HG21 VAL 47 0.680 11.935 8.674 296 HG23 VAL 47 HG22 VAL 47 1.667 10.783 9.574 297 H VAL 48 HN VAL 48 4.005 8.607 7.523 298 HA VAL 48 HA VAL 48 4.703 8.770 10.273 299 HB VAL 48 HB VAL 48 5.820 6.865 8.211 300 HG11 VAL 48 HG11 VAL 48 5.406 6.002 10.989 301 HG12 VAL 48 HG12 VAL 48 6.655 7.227 10.764 302 HG13 VAL 48 HG13 VAL 48 6.753 5.697 9.893 303 HG21 VAL 48 HG23 VAL 48 3.992 5.494 8.444 304 HG22 VAL 48 HG21 VAL 48 3.227 7.080 8.544 305 HG23 VAL 48 HG22 VAL 48 3.552 6.164 10.015 306 H LYS 49 HN LYS 49 6.508 9.201 7.262 307 HA LYS 49 HA LYS 49 9.048 9.509 8.499 308 HB2 LYS 49 HB2 LYS 49 8.716 8.896 6.109 309 HB3 LYS 49 HB1 LYS 49 8.138 10.528 5.802 310 HG2 LYS 49 HG2 LYS 49 10.479 11.135 6.914 311 HG3 LYS 49 HG1 LYS 49 10.885 9.541 6.273 312 HD2 LYS 49 HD2 LYS 49 11.343 10.684 4.387 313 HD3 LYS 49 HD1 LYS 49 9.595 10.630 4.154 314 HE2 LYS 49 HE2 LYS 49 9.314 12.826 4.715 315 HE3 LYS 49 HE1 LYS 49 10.710 12.843 5.791 316 HZ1 LYS 49 HZ3 LYS 49 10.995 12.630 2.853 317 HZ2 LYS 49 HZ1 LYS 49 12.172 13.056 3.992 318 HZ3 LYS 49 HZ2 LYS 49 10.911 14.126 3.638 319 H TYR 50 HN TYR 50 6.579 11.792 7.391 320 HA TYR 50 HA TYR 50 8.098 14.118 8.047 321 HD1 TYR 50 HD2 TYR 50 7.219 12.927 5.361 322 HD2 TYR 50 HD1 TYR 50 6.029 16.849 6.501 323 HE1 TYR 50 HE2 TYR 50 8.040 13.794 3.211 324 HE2 TYR 50 HE1 TYR 50 6.845 17.727 4.354 325 HH TYR 50 HH TYR 50 8.802 15.909 2.249 326 HB2 TYR 50 HB2 TYR 50 5.296 13.560 7.194 327 HB3 TYR 50 HB1 TYR 50 5.631 15.112 7.954 328 H GLU 51 HN GLU 51 4.986 13.098 9.449 329 HA GLU 51 HA GLU 51 5.955 13.161 12.130 330 HB2 GLU 51 HB2 GLU 51 4.412 15.087 12.801 331 HB3 GLU 51 HB1 GLU 51 5.921 15.509 12.003 332 HG2 GLU 51 HG2 GLU 51 4.889 16.268 10.135 333 HG3 GLU 51 HG1 GLU 51 3.545 15.135 10.282 334 H ALA 52 HN ALA 52 4.947 11.175 12.304 335 HA ALA 52 HA ALA 52 2.332 10.574 11.513 336 HB1 ALA 52 HB3 ALA 52 3.396 9.213 13.918 337 HB2 ALA 52 HB1 ALA 52 4.350 9.097 12.439 338 HB3 ALA 52 HB2 ALA 52 2.677 8.539 12.455 339 H GLN 53 HN GLN 53 0.825 9.646 13.469 340 HA GLN 53 HA GLN 53 -0.081 12.048 14.802 341 HB2 GLN 53 HB2 GLN 53 -1.229 9.251 14.830 342 HB3 GLN 53 HB1 GLN 53 -2.016 10.690 15.463 343 HG2 GLN 53 HG2 GLN 53 -1.491 11.466 12.923 344 HG3 GLN 53 HG1 GLN 53 -1.754 9.736 12.704 345 HE21 GLN 53 HE21 GLN 53 -3.761 9.191 12.292 346 HE22 GLN 53 HE22 GLN 53 -5.178 10.043 12.794 347 H GLY 54 HN GLY 54 1.187 8.870 15.707 348 HA2 GLY 54 HA2 GLY 54 2.282 9.892 18.138 349 HA3 GLY 54 HA1 GLY 54 0.846 8.927 18.442 350 H ASP 55 HN ASP 55 2.773 7.842 19.659 351 HA ASP 55 HA ASP 55 4.657 6.310 18.262 352 HB2 ASP 55 HB2 ASP 55 4.649 6.803 20.737 353 HB3 ASP 55 HB1 ASP 55 3.402 5.572 20.911 354 H LYS 56 HN LYS 56 1.538 5.291 19.663 355 HA LYS 56 HA LYS 56 1.593 2.682 18.621 356 HB2 LYS 56 HB2 LYS 56 0.106 3.514 20.467 357 HB3 LYS 56 HB1 LYS 56 -0.870 4.316 19.245 358 HG2 LYS 56 HG2 LYS 56 -1.604 2.291 18.335 359 HG3 LYS 56 HG1 LYS 56 -0.330 1.370 19.136 360 HD2 LYS 56 HD2 LYS 56 -1.356 1.777 21.296 361 HD3 LYS 56 HD1 LYS 56 -2.591 2.788 20.544 362 HE2 LYS 56 HE2 LYS 56 -3.765 1.016 19.781 363 HE3 LYS 56 HE1 LYS 56 -2.316 0.072 19.436 364 HZ1 LYS 56 HZ3 LYS 56 -3.224 0.560 22.207 365 HZ2 LYS 56 HZ1 LYS 56 -2.167 -0.634 21.640 366 HZ3 LYS 56 HZ2 LYS 56 -3.820 -0.734 21.296 367 H ALA 57 HN ALA 57 0.523 5.728 17.270 368 HA ALA 57 HA ALA 57 -0.947 4.702 15.090 369 HB1 ALA 57 HB3 ALA 57 0.477 7.253 14.692 370 HB2 ALA 57 HB1 ALA 57 -0.584 7.170 16.097 371 HB3 ALA 57 HB2 ALA 57 -1.229 6.859 14.485 372 H LYS 58 HN LYS 58 2.443 5.725 15.384 373 HA LYS 58 HA LYS 58 3.182 5.302 12.716 374 HB2 LYS 58 HB2 LYS 58 4.851 5.100 15.229 375 HB3 LYS 58 HB1 LYS 58 5.502 5.161 13.597 376 HG2 LYS 58 HG2 LYS 58 4.930 7.380 13.308 377 HG3 LYS 58 HG1 LYS 58 3.694 7.330 14.567 378 HD2 LYS 58 HD2 LYS 58 5.395 7.196 16.283 379 HD3 LYS 58 HD1 LYS 58 6.663 7.113 15.058 380 HE2 LYS 58 HE2 LYS 58 5.705 9.370 14.246 381 HE3 LYS 58 HE1 LYS 58 4.929 9.432 15.828 382 HZ1 LYS 58 HZ3 LYS 58 7.779 8.820 15.782 383 HZ2 LYS 58 HZ1 LYS 58 6.889 9.751 16.879 384 HZ3 LYS 58 HZ2 LYS 58 7.338 10.404 15.385 385 H GLN 59 HN GLN 59 3.204 3.120 15.503 386 HA GLN 59 HA GLN 59 4.478 0.945 14.281 387 HB2 GLN 59 HB2 GLN 59 2.692 1.303 16.635 388 HB3 GLN 59 HB1 GLN 59 2.922 -0.332 16.032 389 HG2 GLN 59 HG2 GLN 59 5.481 0.560 16.117 390 HG3 GLN 59 HG1 GLN 59 4.766 1.426 17.476 391 HE21 GLN 59 HE21 GLN 59 4.928 -1.813 16.049 392 HE22 GLN 59 HE22 GLN 59 4.969 -2.663 17.552 393 H SER 60 HN SER 60 1.153 2.035 14.195 394 HA SER 60 HA SER 60 0.055 -0.330 13.065 395 HG SER 60 HG SER 60 -2.459 0.289 13.967 396 HB2 SER 60 HB2 SER 60 -1.049 1.859 14.176 397 HB3 SER 60 HB1 SER 60 -1.239 2.275 12.473 398 H ILE 61 HN ILE 61 1.240 2.711 11.688 399 HA ILE 61 HA ILE 61 0.584 2.064 9.000 400 HB ILE 61 HB ILE 61 2.713 3.991 9.929 401 HG12 ILE 61 HG12 ILE 61 -0.246 4.461 9.494 402 HG13 ILE 61 HG11 ILE 61 0.581 4.472 11.048 403 HG21 ILE 61 HG21 ILE 61 1.953 5.151 7.774 404 HG22 ILE 61 HG22 ILE 61 1.212 3.605 7.361 405 HG23 ILE 61 HG23 ILE 61 2.953 3.706 7.623 406 HD11 ILE 61 HD13 ILE 61 1.383 6.344 8.858 407 HD12 ILE 61 HD11 ILE 61 1.658 6.479 10.595 408 HD13 ILE 61 HD12 ILE 61 0.038 6.710 9.938 409 H ARG 62 HN ARG 62 3.400 1.535 11.024 410 HA ARG 62 HA ARG 62 5.250 0.853 9.034 411 HE ARG 62 HE ARG 62 8.986 2.703 12.624 412 HB2 ARG 62 HB2 ARG 62 4.987 0.324 11.951 413 HB3 ARG 62 HB1 ARG 62 6.133 -0.656 11.048 414 HG2 ARG 62 HG2 ARG 62 7.372 1.260 10.382 415 HG3 ARG 62 HG1 ARG 62 6.129 2.350 10.999 416 HD2 ARG 62 HD2 ARG 62 6.825 2.147 13.138 417 HD3 ARG 62 HD1 ARG 62 7.242 0.444 12.950 418 HH11 ARG 62 HH11 ARG 62 8.431 -0.626 11.735 419 HH12 ARG 62 HH12 ARG 62 10.097 -0.942 11.387 420 HH21 ARG 62 HH21 ARG 62 11.178 2.290 12.166 421 HH22 ARG 62 HH22 ARG 62 11.657 0.713 11.632 422 H ALA 63 HN ALA 63 3.005 -1.178 10.891 423 HA ALA 63 HA ALA 63 3.776 -3.626 9.706 424 HB1 ALA 63 HB3 ALA 63 1.332 -4.236 10.500 425 HB2 ALA 63 HB1 ALA 63 1.481 -2.700 11.353 426 HB3 ALA 63 HB2 ALA 63 2.643 -3.992 11.654 427 H LYS 64 HN LYS 64 1.466 -1.150 8.806 428 HA LYS 64 HA LYS 64 0.147 -2.699 6.802 429 HB2 LYS 64 HB2 LYS 64 0.246 0.261 7.374 430 HB3 LYS 64 HB1 LYS 64 -0.681 -0.417 6.043 431 HG2 LYS 64 HG2 LYS 64 -1.602 -1.938 8.050 432 HG3 LYS 64 HG1 LYS 64 -1.206 -0.468 8.942 433 HD2 LYS 64 HD2 LYS 64 -2.766 -0.316 6.392 434 HD3 LYS 64 HD1 LYS 64 -3.572 -0.733 7.905 435 HE2 LYS 64 HE2 LYS 64 -2.138 1.421 8.683 436 HE3 LYS 64 HE1 LYS 64 -2.444 1.833 6.997 437 HZ1 LYS 64 HZ3 LYS 64 -4.548 1.065 8.947 438 HZ2 LYS 64 HZ1 LYS 64 -4.789 1.608 7.362 439 HZ3 LYS 64 HZ2 LYS 64 -4.163 2.659 8.531 440 H CYS 65 HN CYS 65 2.735 -0.282 6.772 441 HA CYS 65 HA CYS 65 3.044 -0.080 3.997 442 HG CYS 65 HG CYS 65 3.880 2.321 3.981 443 HB2 CYS 65 HB2 CYS 65 4.727 0.522 6.370 444 HB3 CYS 65 HB1 CYS 65 5.554 0.394 4.822 445 H THR 66 HN THR 66 4.163 -2.473 6.279 446 HA THR 66 HA THR 66 5.940 -3.724 4.364 447 HB THR 66 HB THR 66 6.584 -3.738 6.704 448 HG1 THR 66 HG1 THR 66 7.242 -5.769 6.697 449 HG21 THR 66 HG23 THR 66 4.475 -3.693 7.835 450 HG22 THR 66 HG21 THR 66 5.365 -5.129 8.340 451 HG23 THR 66 HG22 THR 66 4.043 -5.273 7.182 452 H GLU 67 HN GLU 67 2.708 -4.156 5.617 453 HA GLU 67 HA GLU 67 2.303 -6.792 4.641 454 HB2 GLU 67 HB2 GLU 67 0.913 -5.821 6.414 455 HB3 GLU 67 HB1 GLU 67 0.285 -4.633 5.280 456 HG2 GLU 67 HG2 GLU 67 -1.038 -6.156 4.199 457 HG3 GLU 67 HG1 GLU 67 -0.014 -7.522 4.640 458 H TYR 68 HN TYR 68 1.428 -3.588 3.375 459 HA TYR 68 HA TYR 68 0.261 -4.607 0.985 460 HD1 TYR 68 HD2 TYR 68 -1.649 -4.060 1.764 461 HD2 TYR 68 HD1 TYR 68 0.107 -0.342 2.854 462 HE1 TYR 68 HE2 TYR 68 -3.527 -3.628 3.292 463 HE2 TYR 68 HE1 TYR 68 -1.765 0.101 4.386 464 HH TYR 68 HH TYR 68 -4.627 -1.790 4.384 465 HB2 TYR 68 HB2 TYR 68 1.315 -1.823 1.516 466 HB3 TYR 68 HB1 TYR 68 0.179 -2.291 0.255 467 H LEU 69 HN LEU 69 3.445 -3.343 1.836 468 HA LEU 69 HA LEU 69 4.532 -3.211 -0.742 469 HG LEU 69 HG LEU 69 5.064 -1.227 1.040 470 HB2 LEU 69 HB2 LEU 69 5.669 -3.478 2.005 471 HB3 LEU 69 HB1 LEU 69 6.731 -3.706 0.629 472 HD11 LEU 69 HD11 LEU 69 6.912 -1.825 2.792 473 HD12 LEU 69 HD12 LEU 69 6.790 -0.191 2.139 474 HD13 LEU 69 HD13 LEU 69 8.005 -1.304 1.509 475 HD21 LEU 69 HD23 LEU 69 6.048 -0.381 -0.816 476 HD22 LEU 69 HD21 LEU 69 6.151 -2.089 -1.245 477 HD23 LEU 69 HD22 LEU 69 7.551 -1.266 -0.558 478 H ASP 70 HN ASP 70 4.489 -5.862 1.614 479 HA ASP 70 HA ASP 70 6.038 -7.672 0.123 480 HB2 ASP 70 HB2 ASP 70 5.141 -7.732 2.615 481 HB3 ASP 70 HB1 ASP 70 3.845 -8.675 1.885 482 H ARG 71 HN ARG 71 2.569 -7.028 0.180 483 HA ARG 71 HA ARG 71 1.875 -9.184 -1.552 484 HE ARG 71 HE ARG 71 -2.904 -9.739 -1.865 485 HB2 ARG 71 HB2 ARG 71 0.341 -7.963 0.077 486 HB3 ARG 71 HB1 ARG 71 0.264 -6.674 -1.115 487 HG2 ARG 71 HG2 ARG 71 -1.616 -7.888 -1.618 488 HG3 ARG 71 HG1 ARG 71 -0.441 -8.581 -2.737 489 HD2 ARG 71 HD2 ARG 71 -0.249 -10.540 -1.532 490 HD3 ARG 71 HD1 ARG 71 -0.788 -9.790 -0.030 491 HH11 ARG 71 HH11 ARG 71 -1.056 -12.040 -0.003 492 HH12 ARG 71 HH12 ARG 71 -2.355 -13.180 0.110 493 HH21 ARG 71 HH21 ARG 71 -4.613 -11.230 -1.717 494 HH22 ARG 71 HH22 ARG 71 -4.374 -12.720 -0.864 495 H ALA 72 HN ALA 72 2.217 -5.676 -2.043 496 HA ALA 72 HA ALA 72 1.682 -5.719 -4.813 497 HB1 ALA 72 HB3 ALA 72 1.478 -3.592 -4.072 498 HB2 ALA 72 HB1 ALA 72 3.163 -3.499 -4.582 499 HB3 ALA 72 HB2 ALA 72 2.769 -3.764 -2.883 500 H GLU 73 HN GLU 73 4.667 -5.990 -2.953 501 HA GLU 73 HA GLU 73 6.492 -5.778 -5.066 502 HB2 GLU 73 HB2 GLU 73 6.586 -7.084 -2.367 503 HB3 GLU 73 HB1 GLU 73 7.923 -7.285 -3.491 504 HG2 GLU 73 HG2 GLU 73 7.049 -4.515 -3.145 505 HG3 GLU 73 HG1 GLU 73 7.682 -5.272 -1.684 506 H LYS 74 HN LYS 74 4.739 -8.560 -3.780 507 HA LYS 74 HA LYS 74 6.056 -10.480 -5.412 508 HB2 LYS 74 HB2 LYS 74 3.446 -10.560 -3.896 509 HB3 LYS 74 HB1 LYS 74 4.099 -11.940 -4.763 510 HG2 LYS 74 HG2 LYS 74 6.008 -12.020 -3.333 511 HG3 LYS 74 HG1 LYS 74 5.563 -10.500 -2.565 512 HD2 LYS 74 HD2 LYS 74 3.663 -11.480 -1.526 513 HD3 LYS 74 HD1 LYS 74 3.810 -12.950 -2.495 514 HE2 LYS 74 HE2 LYS 74 5.791 -13.600 -1.352 515 HE3 LYS 74 HE1 LYS 74 5.924 -12.030 -0.558 516 HZ1 LYS 74 HZ3 LYS 74 5.050 -13.460 1.050 517 HZ2 LYS 74 HZ1 LYS 74 3.976 -14.190 -0.032 518 HZ3 LYS 74 HZ2 LYS 74 3.700 -12.610 0.487 519 H LEU 75 HN LEU 75 3.037 -8.667 -5.696 520 HA LEU 75 HA LEU 75 2.005 -9.938 -7.960 521 HG LEU 75 HG LEU 75 -0.285 -9.404 -7.775 522 HB2 LEU 75 HB2 LEU 75 1.592 -7.364 -6.584 523 HB3 LEU 75 HB1 LEU 75 1.137 -7.381 -8.277 524 HD11 LEU 75 HD11 LEU 75 -0.109 -8.589 -4.904 525 HD12 LEU 75 HD12 LEU 75 1.013 -9.778 -5.568 526 HD13 LEU 75 HD13 LEU 75 -0.724 -10.080 -5.609 527 HD21 LEU 75 HD23 LEU 75 -0.793 -6.681 -6.650 528 HD22 LEU 75 HD21 LEU 75 -1.986 -7.963 -6.449 529 HD23 LEU 75 HD22 LEU 75 -1.500 -7.457 -8.067 530 H LYS 76 HN LYS 76 3.992 -6.990 -7.748 531 HA LYS 76 HA LYS 76 4.231 -6.588 -10.520 532 HB2 LYS 76 HB2 LYS 76 6.080 -5.093 -9.970 533 HB3 LYS 76 HB1 LYS 76 4.733 -4.844 -8.869 534 HG2 LYS 76 HG2 LYS 76 5.879 -6.198 -7.176 535 HG3 LYS 76 HG1 LYS 76 7.239 -6.406 -8.281 536 HD2 LYS 76 HD2 LYS 76 6.332 -3.636 -7.702 537 HD3 LYS 76 HD1 LYS 76 7.201 -4.500 -6.432 538 HE2 LYS 76 HE2 LYS 76 8.891 -5.049 -8.327 539 HE3 LYS 76 HE1 LYS 76 8.137 -3.687 -9.155 540 HZ1 LYS 76 HZ3 LYS 76 8.935 -3.242 -6.392 541 HZ2 LYS 76 HZ1 LYS 76 9.033 -2.208 -7.728 542 HZ3 LYS 76 HZ2 LYS 76 10.192 -3.421 -7.510 543 H GLU 77 HN GLU 77 5.906 -8.684 -8.312 544 HA GLU 77 HA GLU 77 8.249 -9.181 -9.742 545 HB2 GLU 77 HB2 GLU 77 7.451 -9.979 -7.376 546 HB3 GLU 77 HB1 GLU 77 6.863 -11.380 -8.258 547 HG2 GLU 77 HG2 GLU 77 9.344 -11.280 -9.234 548 HG3 GLU 77 HG1 GLU 77 9.627 -10.520 -7.666 549 H TYR 78 HN TYR 78 5.173 -10.990 -9.811 550 HA TYR 78 HA TYR 78 6.070 -12.540 -12.070 551 HD1 TYR 78 HD2 TYR 78 2.321 -12.630 -13.020 552 HD2 TYR 78 HD1 TYR 78 2.978 -12.170 -8.848 553 HE1 TYR 78 HE2 TYR 78 0.039 -11.760 -12.770 554 HE2 TYR 78 HE1 TYR 78 0.696 -11.290 -8.583 555 HH TYR 78 HH TYR 78 -1.647 -11.470 -11.070 556 HB2 TYR 78 HB2 TYR 78 4.164 -13.850 -11.780 557 HB3 TYR 78 HB1 TYR 78 4.553 -13.340 -10.140 558 H LEU 79 HN LEU 79 3.955 -9.821 -11.460 559 HA LEU 79 HA LEU 79 2.660 -9.769 -13.970 560 HG LEU 79 HG LEU 79 1.246 -9.431 -11.620 561 HB2 LEU 79 HB2 LEU 79 3.122 -7.753 -11.800 562 HB3 LEU 79 HB1 LEU 79 2.427 -7.247 -13.330 563 HD11 LEU 79 HD11 LEU 79 -0.483 -7.385 -11.380 564 HD12 LEU 79 HD12 LEU 79 1.042 -6.500 -11.430 565 HD13 LEU 79 HD13 LEU 79 0.784 -7.743 -10.200 566 HD21 LEU 79 HD23 LEU 79 -0.698 -9.165 -12.990 567 HD22 LEU 79 HD21 LEU 79 0.695 -9.410 -14.050 568 HD23 LEU 79 HD22 LEU 79 0.024 -7.792 -13.830 569 H LYS 80 HN LYS 80 5.678 -8.393 -12.800 570 HA LYS 80 HA LYS 80 6.157 -6.931 -15.240 571 HB2 LYS 80 HB2 LYS 80 6.946 -6.307 -12.860 572 HB3 LYS 80 HB1 LYS 80 8.218 -7.493 -13.120 573 HG2 LYS 80 HG2 LYS 80 9.255 -5.555 -13.770 574 HG3 LYS 80 HG1 LYS 80 8.638 -6.148 -15.310 575 HD2 LYS 80 HD2 LYS 80 7.826 -4.050 -15.490 576 HD3 LYS 80 HD1 LYS 80 6.529 -4.687 -14.480 577 HE2 LYS 80 HE2 LYS 80 8.922 -3.663 -13.080 578 HE3 LYS 80 HE1 LYS 80 7.911 -2.465 -13.890 579 HZ1 LYS 80 HZ3 LYS 80 6.794 -4.487 -12.030 580 HZ2 LYS 80 HZ1 LYS 80 6.066 -3.065 -12.590 581 HZ3 LYS 80 HZ2 LYS 80 7.353 -2.985 -11.500 582 H ASN 81 HN ASN 81 7.067 -9.997 -13.830 583 HA ASN 81 HA ASN 81 9.204 -10.580 -15.610 584 HB2 ASN 81 HB2 ASN 81 8.849 -11.710 -13.420 585 HB3 ASN 81 HB1 ASN 81 7.444 -12.520 -14.100 586 HD21 ASN 81 HD21 ASN 81 10.894 -12.000 -14.710 587 HD22 ASN 81 HD22 ASN 81 11.201 -13.590 -15.320 Start of MODEL 17 1 H ASN 10 HN ASN 10 -3.696 14.115 4.416 2 HA ASN 10 HA ASN 10 -3.403 12.594 1.939 3 HB2 ASN 10 HB2 ASN 10 -1.442 13.234 4.150 4 HB3 ASN 10 HB1 ASN 10 -1.055 12.249 2.742 5 HD21 ASN 10 HD21 ASN 10 -0.183 14.960 3.801 6 HD22 ASN 10 HD22 ASN 10 -0.296 15.996 2.423 7 H LEU 11 HN LEU 11 -3.788 12.157 5.383 8 HA LEU 11 HA LEU 11 -3.133 9.387 5.438 9 HG LEU 11 HG LEU 11 -4.551 8.303 7.514 10 HB2 LEU 11 HB2 LEU 11 -3.110 10.911 7.418 11 HB3 LEU 11 HB1 LEU 11 -4.863 10.933 7.367 12 HD11 LEU 11 HD11 LEU 11 -2.626 7.526 8.426 13 HD12 LEU 11 HD12 LEU 11 -2.287 9.035 9.275 14 HD13 LEU 11 HD13 LEU 11 -1.959 8.902 7.547 15 HD21 LEU 11 HD23 LEU 11 -4.963 8.454 9.857 16 HD22 LEU 11 HD21 LEU 11 -5.735 9.843 9.092 17 HD23 LEU 11 HD22 LEU 11 -4.205 10.044 9.946 18 H GLN 12 HN GLN 12 -6.133 11.206 5.071 19 HA GLN 12 HA GLN 12 -7.936 9.075 5.286 20 HB2 GLN 12 HB2 GLN 12 -8.296 11.679 5.089 21 HB3 GLN 12 HB1 GLN 12 -8.462 11.314 3.377 22 HG2 GLN 12 HG2 GLN 12 -10.090 9.445 4.473 23 HG3 GLN 12 HG1 GLN 12 -10.280 10.781 5.608 24 HE21 GLN 12 HE21 GLN 12 -11.880 12.083 5.145 25 HE22 GLN 12 HE22 GLN 12 -12.490 12.442 3.569 26 H LYS 13 HN LYS 13 -5.987 10.207 2.601 27 HA LYS 13 HA LYS 13 -7.292 8.535 0.658 28 HB2 LYS 13 HB2 LYS 13 -5.810 10.771 0.430 29 HB3 LYS 13 HB1 LYS 13 -4.565 9.568 0.123 30 HG2 LYS 13 HG2 LYS 13 -6.488 8.638 -1.495 31 HG3 LYS 13 HG1 LYS 13 -6.888 10.357 -1.511 32 HD2 LYS 13 HD2 LYS 13 -4.198 10.454 -1.828 33 HD3 LYS 13 HD1 LYS 13 -4.575 8.938 -2.649 34 HE2 LYS 13 HE2 LYS 13 -6.521 10.525 -3.638 35 HE3 LYS 13 HE1 LYS 13 -5.244 11.714 -3.382 36 HZ1 LYS 13 HZ3 LYS 13 -4.815 9.177 -4.854 37 HZ2 LYS 13 HZ1 LYS 13 -3.792 10.524 -4.792 38 HZ3 LYS 13 HZ2 LYS 13 -5.266 10.619 -5.616 39 H ALA 14 HN ALA 14 -4.410 8.363 2.662 40 HA ALA 14 HA ALA 14 -3.162 6.169 1.453 41 HB1 ALA 14 HB3 ALA 14 -2.168 7.674 3.190 42 HB2 ALA 14 HB1 ALA 14 -1.889 5.953 3.458 43 HB3 ALA 14 HB2 ALA 14 -3.115 6.804 4.397 44 H ILE 15 HN ILE 15 -5.729 6.342 3.861 45 HA ILE 15 HA ILE 15 -5.766 3.513 4.347 46 HB ILE 15 HB ILE 15 -7.944 5.499 4.988 47 HG12 ILE 15 HG12 ILE 15 -5.724 4.652 6.845 48 HG13 ILE 15 HG11 ILE 15 -5.603 6.093 5.840 49 HG21 ILE 15 HG21 ILE 15 -8.670 3.221 5.200 50 HG22 ILE 15 HG22 ILE 15 -8.429 3.887 6.815 51 HG23 ILE 15 HG23 ILE 15 -7.226 2.801 6.121 52 HD11 ILE 15 HD13 ILE 15 -7.797 6.812 6.922 53 HD12 ILE 15 HD11 ILE 15 -6.337 6.868 7.909 54 HD13 ILE 15 HD12 ILE 15 -7.481 5.540 8.104 55 H ASP 16 HN ASP 16 -7.614 5.777 2.370 56 HA ASP 16 HA ASP 16 -9.617 3.966 1.547 57 HB2 ASP 16 HB2 ASP 16 -9.342 6.611 1.287 58 HB3 ASP 16 HB1 ASP 16 -8.757 6.134 -0.304 59 H LEU 17 HN LEU 17 -6.527 4.917 0.088 60 HA LEU 17 HA LEU 17 -6.775 3.397 -2.263 61 HG LEU 17 HG LEU 17 -5.950 6.027 -1.669 62 HB2 LEU 17 HB2 LEU 17 -4.250 4.164 -0.797 63 HB3 LEU 17 HB1 LEU 17 -4.353 3.651 -2.471 64 HD11 LEU 17 HD11 LEU 17 -3.400 6.000 -0.810 65 HD12 LEU 17 HD12 LEU 17 -4.237 7.455 -1.351 66 HD13 LEU 17 HD13 LEU 17 -3.168 6.590 -2.456 67 HD21 LEU 17 HD23 LEU 17 -5.775 6.598 -3.885 68 HD22 LEU 17 HD21 LEU 17 -5.715 4.839 -3.992 69 HD23 LEU 17 HD22 LEU 17 -4.226 5.780 -4.088 70 H ALA 18 HN ALA 18 -5.377 2.625 0.896 71 HA ALA 18 HA ALA 18 -4.314 0.117 0.255 72 HB1 ALA 18 HB3 ALA 18 -3.930 -0.146 2.497 73 HB2 ALA 18 HB1 ALA 18 -5.472 0.574 2.959 74 HB3 ALA 18 HB2 ALA 18 -4.144 1.602 2.420 75 H SER 19 HN SER 19 -7.510 0.992 1.536 76 HA SER 19 HA SER 19 -8.518 -1.615 1.768 77 HG SER 19 HG SER 19 -10.870 -1.595 2.045 78 HB2 SER 19 HB2 SER 19 -9.458 0.817 2.461 79 HB3 SER 19 HB1 SER 19 -10.420 0.528 1.016 80 H LYS 20 HN LYS 20 -8.792 0.736 -0.886 81 HA LYS 20 HA LYS 20 -10.330 -0.892 -2.590 82 HB2 LYS 20 HB2 LYS 20 -8.620 1.530 -2.956 83 HB3 LYS 20 HB1 LYS 20 -9.149 0.650 -4.384 84 HG2 LYS 20 HG2 LYS 20 -11.430 1.021 -3.867 85 HG3 LYS 20 HG1 LYS 20 -11.030 1.649 -2.267 86 HD2 LYS 20 HD2 LYS 20 -11.530 3.515 -3.669 87 HD3 LYS 20 HD1 LYS 20 -9.793 3.503 -3.404 88 HE2 LYS 20 HE2 LYS 20 -10.810 2.047 -5.773 89 HE3 LYS 20 HE1 LYS 20 -10.880 3.808 -5.820 90 HZ1 LYS 20 HZ3 LYS 20 -8.378 2.604 -4.947 91 HZ2 LYS 20 HZ1 LYS 20 -8.647 3.991 -5.879 92 HZ3 LYS 20 HZ2 LYS 20 -8.763 2.460 -6.587 93 H ALA 21 HN ALA 21 -6.832 -0.441 -2.281 94 HA ALA 21 HA ALA 21 -6.041 -1.992 -4.473 95 HB1 ALA 21 HB3 ALA 21 -4.602 -0.452 -3.087 96 HB2 ALA 21 HB1 ALA 21 -3.868 -1.993 -3.531 97 HB3 ALA 21 HB2 ALA 21 -4.498 -1.753 -1.901 98 H ALA 22 HN ALA 22 -6.589 -2.900 -1.086 99 HA ALA 22 HA ALA 22 -5.798 -5.579 -1.284 100 HB1 ALA 22 HB3 ALA 22 -6.676 -5.865 0.830 101 HB2 ALA 22 HB1 ALA 22 -8.023 -4.765 0.536 102 HB3 ALA 22 HB2 ALA 22 -6.400 -4.123 0.790 103 H GLN 23 HN GLN 23 -8.787 -3.979 -2.138 104 HA GLN 23 HA GLN 23 -10.270 -6.419 -2.475 105 HB2 GLN 23 HB2 GLN 23 -10.790 -3.520 -3.031 106 HB3 GLN 23 HB1 GLN 23 -11.850 -4.747 -3.716 107 HG2 GLN 23 HG2 GLN 23 -12.400 -5.563 -1.519 108 HG3 GLN 23 HG1 GLN 23 -11.250 -4.452 -0.782 109 HE21 GLN 23 HE21 GLN 23 -11.910 -2.474 -0.242 110 HE22 GLN 23 HE22 GLN 23 -13.450 -1.796 -0.639 111 H GLU 24 HN GLU 24 -8.494 -4.195 -4.539 112 HA GLU 24 HA GLU 24 -9.336 -5.162 -7.030 113 HB2 GLU 24 HB2 GLU 24 -6.796 -3.818 -6.128 114 HB3 GLU 24 HB1 GLU 24 -7.061 -4.274 -7.805 115 HG2 GLU 24 HG2 GLU 24 -8.881 -2.469 -6.232 116 HG3 GLU 24 HG1 GLU 24 -7.590 -1.907 -7.293 117 H ASP 25 HN ASP 25 -6.443 -6.017 -5.132 118 HA ASP 25 HA ASP 25 -5.556 -8.041 -6.886 119 HB2 ASP 25 HB2 ASP 25 -4.122 -6.945 -5.179 120 HB3 ASP 25 HB1 ASP 25 -5.024 -7.781 -3.918 121 H LYS 26 HN LYS 26 -7.512 -8.154 -3.930 122 HA LYS 26 HA LYS 26 -7.765 -10.950 -3.807 123 HB2 LYS 26 HB2 LYS 26 -9.240 -8.642 -2.634 124 HB3 LYS 26 HB1 LYS 26 -9.986 -10.230 -2.553 125 HG2 LYS 26 HG2 LYS 26 -7.633 -10.930 -1.618 126 HG3 LYS 26 HG1 LYS 26 -7.532 -9.215 -1.219 127 HD2 LYS 26 HD2 LYS 26 -10.030 -10.620 -0.506 128 HD3 LYS 26 HD1 LYS 26 -8.598 -11.010 0.435 129 HE2 LYS 26 HE2 LYS 26 -9.870 -9.214 1.475 130 HE3 LYS 26 HE1 LYS 26 -8.282 -8.657 0.952 131 HZ1 LYS 26 HZ3 LYS 26 -9.245 -7.593 -0.928 132 HZ2 LYS 26 HZ1 LYS 26 -10.130 -7.114 0.429 133 HZ3 LYS 26 HZ2 LYS 26 -10.760 -8.275 -0.629 134 H ALA 27 HN ALA 27 -9.494 -8.506 -5.601 135 HA ALA 27 HA ALA 27 -11.650 -10.220 -6.379 136 HB1 ALA 27 HB3 ALA 27 -11.780 -7.718 -6.216 137 HB2 ALA 27 HB1 ALA 27 -12.420 -8.417 -7.699 138 HB3 ALA 27 HB2 ALA 27 -10.840 -7.654 -7.707 139 H GLY 28 HN GLY 28 -8.690 -9.035 -7.917 140 HA2 GLY 28 HA2 GLY 28 -7.961 -11.210 -9.329 141 HA3 GLY 28 HA1 GLY 28 -9.214 -10.520 -10.340 142 H ASN 29 HN ASN 29 -8.499 -7.769 -9.540 143 HA ASN 29 HA ASN 29 -6.532 -7.301 -11.560 144 HB2 ASN 29 HB2 ASN 29 -7.633 -5.319 -9.563 145 HB3 ASN 29 HB1 ASN 29 -6.875 -4.957 -11.110 146 HD21 ASN 29 HD21 ASN 29 -9.322 -3.936 -10.510 147 HD22 ASN 29 HD22 ASN 29 -10.530 -4.686 -11.490 148 H TYR 30 HN TYR 30 -4.437 -7.633 -11.240 149 HA TYR 30 HA TYR 30 -3.308 -7.270 -8.569 150 HD1 TYR 30 HD1 TYR 30 -4.794 -9.416 -9.336 151 HD2 TYR 30 HD2 TYR 30 -0.686 -10.370 -8.778 152 HE1 TYR 30 HE1 TYR 30 -5.439 -11.380 -8.014 153 HE2 TYR 30 HE2 TYR 30 -1.319 -12.340 -7.455 154 HH TYR 30 HH TYR 30 -3.376 -13.870 -7.296 155 HB2 TYR 30 HB2 TYR 30 -2.440 -8.785 -11.000 156 HB3 TYR 30 HB1 TYR 30 -1.256 -8.343 -9.782 157 H GLU 31 HN GLU 31 -3.012 -6.141 -11.880 158 HA GLU 31 HA GLU 31 -0.688 -4.580 -11.540 159 HB2 GLU 31 HB2 GLU 31 -2.897 -4.686 -13.540 160 HB3 GLU 31 HB1 GLU 31 -1.846 -3.277 -13.540 161 HG2 GLU 31 HG2 GLU 31 0.033 -5.140 -13.510 162 HG3 GLU 31 HG1 GLU 31 -1.253 -6.091 -14.250 163 H GLU 32 HN GLU 32 -4.127 -3.641 -11.540 164 HA GLU 32 HA GLU 32 -3.712 -0.943 -10.900 165 HB2 GLU 32 HB2 GLU 32 -5.849 -2.174 -11.720 166 HB3 GLU 32 HB1 GLU 32 -6.154 -2.447 -10.010 167 HG2 GLU 32 HG2 GLU 32 -7.290 -0.513 -10.240 168 HG3 GLU 32 HG1 GLU 32 -5.697 0.169 -9.921 169 H ALA 33 HN ALA 33 -4.073 -3.807 -8.891 170 HA ALA 33 HA ALA 33 -4.373 -2.500 -6.412 171 HB1 ALA 33 HB3 ALA 33 -2.958 -5.100 -6.475 172 HB2 ALA 33 HB1 ALA 33 -4.580 -5.050 -7.167 173 HB3 ALA 33 HB2 ALA 33 -4.322 -4.572 -5.489 174 H LEU 34 HN LEU 34 -1.528 -3.513 -8.235 175 HA LEU 34 HA LEU 34 0.406 -3.086 -6.256 176 HG LEU 34 HG LEU 34 2.560 -1.774 -8.036 177 HB2 LEU 34 HB2 LEU 34 0.898 -4.276 -8.315 178 HB3 LEU 34 HB1 LEU 34 0.615 -2.824 -9.255 179 HD11 LEU 34 HD11 LEU 34 4.182 -3.506 -7.114 180 HD12 LEU 34 HD12 LEU 34 2.793 -4.589 -7.020 181 HD13 LEU 34 HD13 LEU 34 2.799 -3.082 -6.105 182 HD21 LEU 34 HD23 LEU 34 2.571 -2.917 -10.330 183 HD22 LEU 34 HD21 LEU 34 3.410 -4.235 -9.520 184 HD23 LEU 34 HD22 LEU 34 4.118 -2.620 -9.546 185 H GLN 35 HN GLN 35 -0.793 -0.895 -8.790 186 HA GLN 35 HA GLN 35 0.809 1.306 -8.095 187 HB2 GLN 35 HB2 GLN 35 -1.695 0.920 -9.666 188 HB3 GLN 35 HB1 GLN 35 -1.262 2.558 -9.194 189 HG2 GLN 35 HG2 GLN 35 0.875 0.930 -10.410 190 HG3 GLN 35 HG1 GLN 35 -0.453 1.416 -11.460 191 HE21 GLN 35 HE21 GLN 35 -0.854 3.644 -11.770 192 HE22 GLN 35 HE22 GLN 35 0.388 4.816 -11.510 193 H LEU 36 HN LEU 36 -2.281 0.173 -6.886 194 HA LEU 36 HA LEU 36 -2.859 2.533 -5.375 195 HG LEU 36 HG LEU 36 -4.416 1.189 -7.301 196 HB2 LEU 36 HB2 LEU 36 -3.968 -0.266 -5.155 197 HB3 LEU 36 HB1 LEU 36 -4.609 1.135 -4.319 198 HD11 LEU 36 HD11 LEU 36 -6.944 0.208 -6.141 199 HD12 LEU 36 HD12 LEU 36 -5.610 -0.944 -6.195 200 HD13 LEU 36 HD13 LEU 36 -6.172 -0.175 -7.680 201 HD21 LEU 36 HD23 LEU 36 -6.578 2.482 -6.895 202 HD22 LEU 36 HD21 LEU 36 -5.073 3.239 -6.375 203 HD23 LEU 36 HD22 LEU 36 -6.127 2.466 -5.191 204 H TYR 37 HN TYR 37 -1.410 -0.609 -4.667 205 HA TYR 37 HA TYR 37 -1.251 -0.360 -1.882 206 HD1 TYR 37 HD2 TYR 37 -2.100 -2.016 -1.150 207 HD2 TYR 37 HD1 TYR 37 -0.344 -3.973 -4.494 208 HE1 TYR 37 HE2 TYR 37 -3.831 -3.758 -1.032 209 HE2 TYR 37 HE1 TYR 37 -2.070 -5.721 -4.386 210 HH TYR 37 HH TYR 37 -4.684 -5.662 -3.316 211 HB2 TYR 37 HB2 TYR 37 0.450 -1.877 -3.860 212 HB3 TYR 37 HB1 TYR 37 0.684 -1.993 -2.119 213 H GLN 38 HN GLN 38 1.146 0.446 -4.386 214 HA GLN 38 HA GLN 38 3.134 1.400 -2.658 215 HB2 GLN 38 HB2 GLN 38 2.509 2.061 -5.535 216 HB3 GLN 38 HB1 GLN 38 3.930 2.671 -4.699 217 HG2 GLN 38 HG2 GLN 38 4.869 0.538 -4.496 218 HG3 GLN 38 HG1 GLN 38 3.341 -0.262 -4.865 219 HE21 GLN 38 HE21 GLN 38 4.378 -1.467 -6.489 220 HE22 GLN 38 HE22 GLN 38 4.771 -0.766 -8.018 221 H HIS 39 HN HIS 39 0.383 3.013 -4.161 222 HA HIS 39 HA HIS 39 1.042 5.654 -3.500 223 HD1 HIS 39 HD1 HIS 39 -2.713 6.102 -6.010 224 HD2 HIS 39 HD2 HIS 39 1.421 5.979 -5.610 225 HE1 HIS 39 HE1 HIS 39 -1.803 7.155 -8.105 226 HE2 HIS 39 HE2 HIS 39 0.701 6.991 -7.879 227 HB2 HIS 39 HB2 HIS 39 -1.457 4.205 -4.209 228 HB3 HIS 39 HB1 HIS 39 -1.632 5.785 -3.451 229 H ALA 40 HN ALA 40 -0.807 3.215 -1.708 230 HA ALA 40 HA ALA 40 -1.574 4.823 0.450 231 HB1 ALA 40 HB3 ALA 40 -2.202 2.356 -0.234 232 HB2 ALA 40 HB1 ALA 40 -2.328 2.903 1.438 233 HB3 ALA 40 HB2 ALA 40 -0.932 1.957 0.923 234 H VAL 41 HN VAL 41 1.290 2.760 0.033 235 HA VAL 41 HA VAL 41 2.416 3.202 2.563 236 HB VAL 41 HB VAL 41 3.962 2.708 0.018 237 HG11 VAL 41 HG11 VAL 41 5.168 3.328 2.167 238 HG12 VAL 41 HG12 VAL 41 5.661 1.825 1.387 239 HG13 VAL 41 HG13 VAL 41 4.610 1.780 2.802 240 HG21 VAL 41 HG23 VAL 41 3.707 0.260 1.092 241 HG22 VAL 41 HG21 VAL 41 2.613 0.899 -0.135 242 HG23 VAL 41 HG22 VAL 41 2.159 0.958 1.568 243 H GLN 42 HN GLN 42 2.589 5.045 -0.423 244 HA GLN 42 HA GLN 42 4.694 6.770 0.327 245 HB2 GLN 42 HB2 GLN 42 2.505 6.881 -1.713 246 HB3 GLN 42 HB1 GLN 42 3.474 8.316 -1.408 247 HG2 GLN 42 HG2 GLN 42 5.432 6.514 -1.708 248 HG3 GLN 42 HG1 GLN 42 4.195 5.783 -2.729 249 HE21 GLN 42 HE21 GLN 42 5.448 9.041 -2.064 250 HE22 GLN 42 HE22 GLN 42 5.583 9.511 -3.721 251 H TYR 43 HN TYR 43 1.161 7.171 0.474 252 HA TYR 43 HA TYR 43 1.303 9.712 1.764 253 HD1 TYR 43 HD1 TYR 43 -0.124 11.185 0.336 254 HD2 TYR 43 HD2 TYR 43 -1.488 7.275 -0.639 255 HE1 TYR 43 HE1 TYR 43 -0.446 11.886 -1.999 256 HE2 TYR 43 HE2 TYR 43 -1.812 7.965 -2.977 257 HH TYR 43 HH TYR 43 -1.786 11.201 -3.960 258 HB2 TYR 43 HB2 TYR 43 -1.005 7.765 1.562 259 HB3 TYR 43 HB1 TYR 43 -1.126 9.443 2.080 260 H PHE 44 HN PHE 44 0.959 6.387 2.856 261 HA PHE 44 HA PHE 44 0.262 6.894 5.524 262 HD1 PHE 44 HD2 PHE 44 -0.953 5.655 6.672 263 HD2 PHE 44 HD1 PHE 44 -0.107 3.110 3.369 264 HE1 PHE 44 HE2 PHE 44 -3.251 4.781 6.763 265 HE2 PHE 44 HE1 PHE 44 -2.404 2.231 3.452 266 HZ PHE 44 HZ PHE 44 -3.979 3.067 5.151 267 HB2 PHE 44 HB2 PHE 44 1.490 4.604 4.060 268 HB3 PHE 44 HB1 PHE 44 1.562 4.596 5.819 269 H LEU 45 HN LEU 45 3.474 6.159 4.156 270 HA LEU 45 HA LEU 45 4.918 6.599 6.516 271 HG LEU 45 HG LEU 45 5.066 4.592 4.175 272 HB2 LEU 45 HB2 LEU 45 5.800 6.889 3.644 273 HB3 LEU 45 HB1 LEU 45 6.884 6.849 5.022 274 HD11 LEU 45 HD11 LEU 45 6.702 4.566 2.559 275 HD12 LEU 45 HD12 LEU 45 7.422 3.542 3.801 276 HD13 LEU 45 HD13 LEU 45 7.932 5.222 3.639 277 HD21 LEU 45 HD23 LEU 45 6.735 3.396 5.800 278 HD22 LEU 45 HD21 LEU 45 5.317 4.235 6.429 279 HD23 LEU 45 HD22 LEU 45 6.900 5.012 6.487 280 H HIS 46 HN HIS 46 3.748 8.798 4.067 281 HA HIS 46 HA HIS 46 5.333 11.031 4.652 282 HD1 HIS 46 HD1 HIS 46 5.200 12.976 2.136 283 HD2 HIS 46 HD2 HIS 46 1.974 13.591 4.681 284 HE1 HIS 46 HE1 HIS 46 4.902 15.470 2.253 285 HE2 HIS 46 HE2 HIS 46 3.000 15.821 3.867 286 HB2 HIS 46 HB2 HIS 46 3.875 10.843 2.660 287 HB3 HIS 46 HB1 HIS 46 2.461 10.995 3.699 288 H VAL 47 HN VAL 47 2.365 9.835 6.122 289 HA VAL 47 HA VAL 47 1.976 12.119 7.800 290 HB VAL 47 HB VAL 47 0.850 9.349 8.212 291 HG11 VAL 47 HG11 VAL 47 -0.579 10.247 9.722 292 HG12 VAL 47 HG12 VAL 47 -0.653 11.802 8.893 293 HG13 VAL 47 HG13 VAL 47 0.732 11.411 9.913 294 HG21 VAL 47 HG23 VAL 47 -1.160 10.697 7.035 295 HG22 VAL 47 HG21 VAL 47 -0.023 9.676 6.153 296 HG23 VAL 47 HG22 VAL 47 0.220 11.422 6.210 297 H VAL 48 HN VAL 48 3.602 9.027 8.121 298 HA VAL 48 HA VAL 48 4.041 9.275 10.947 299 HB VAL 48 HB VAL 48 5.511 7.476 9.020 300 HG11 VAL 48 HG11 VAL 48 5.883 6.081 10.978 301 HG12 VAL 48 HG12 VAL 48 4.994 7.227 11.981 302 HG13 VAL 48 HG13 VAL 48 6.522 7.703 11.241 303 HG21 VAL 48 HG23 VAL 48 3.066 6.728 10.602 304 HG22 VAL 48 HG21 VAL 48 3.850 5.828 9.303 305 HG23 VAL 48 HG22 VAL 48 2.976 7.317 8.942 306 H LYS 49 HN LYS 49 5.861 9.985 8.022 307 HA LYS 49 HA LYS 49 8.307 10.574 9.389 308 HB2 LYS 49 HB2 LYS 49 7.744 9.990 6.827 309 HB3 LYS 49 HB1 LYS 49 7.798 11.744 6.711 310 HG2 LYS 49 HG2 LYS 49 10.058 11.322 8.086 311 HG3 LYS 49 HG1 LYS 49 9.966 9.805 7.188 312 HD2 LYS 49 HD2 LYS 49 11.015 10.986 5.580 313 HD3 LYS 49 HD1 LYS 49 9.391 11.580 5.230 314 HE2 LYS 49 HE2 LYS 49 9.945 13.392 6.998 315 HE3 LYS 49 HE1 LYS 49 11.619 12.921 6.713 316 HZ1 LYS 49 HZ3 LYS 49 11.421 14.521 5.145 317 HZ2 LYS 49 HZ1 LYS 49 9.753 14.309 4.952 318 HZ3 LYS 49 HZ2 LYS 49 10.833 13.231 4.223 319 H TYR 50 HN TYR 50 5.497 12.391 8.386 320 HA TYR 50 HA TYR 50 6.743 14.942 8.994 321 HD1 TYR 50 HD1 TYR 50 6.460 13.493 6.462 322 HD2 TYR 50 HD2 TYR 50 4.443 17.224 6.789 323 HE1 TYR 50 HE1 TYR 50 7.415 14.191 4.306 324 HE2 TYR 50 HE2 TYR 50 5.391 17.933 4.634 325 HH TYR 50 HH TYR 50 6.987 15.757 2.524 326 HB2 TYR 50 HB2 TYR 50 4.078 14.096 7.908 327 HB3 TYR 50 HB1 TYR 50 4.293 15.726 8.537 328 H GLU 51 HN GLU 51 3.600 13.614 10.010 329 HA GLU 51 HA GLU 51 4.231 13.817 12.796 330 HB2 GLU 51 HB2 GLU 51 2.364 15.507 13.218 331 HB3 GLU 51 HB1 GLU 51 3.877 16.134 12.580 332 HG2 GLU 51 HG2 GLU 51 2.976 16.471 10.452 333 HG3 GLU 51 HG1 GLU 51 1.591 15.429 10.777 334 H ALA 52 HN ALA 52 3.466 11.774 13.082 335 HA ALA 52 HA ALA 52 1.004 10.849 11.977 336 HB1 ALA 52 HB3 ALA 52 3.075 9.492 12.725 337 HB2 ALA 52 HB1 ALA 52 1.468 8.813 12.985 338 HB3 ALA 52 HB2 ALA 52 2.338 9.560 14.326 339 H GLN 53 HN GLN 53 -0.306 9.541 13.962 340 HA GLN 53 HA GLN 53 -1.604 11.744 15.347 341 HB2 GLN 53 HB2 GLN 53 -2.409 8.835 15.342 342 HB3 GLN 53 HB1 GLN 53 -3.406 10.219 15.767 343 HG2 GLN 53 HG2 GLN 53 -2.295 10.333 13.066 344 HG3 GLN 53 HG1 GLN 53 -3.384 8.976 13.348 345 HE21 GLN 53 HE21 GLN 53 -4.910 9.867 11.937 346 HE22 GLN 53 HE22 GLN 53 -5.893 11.212 12.394 347 H GLY 54 HN GLY 54 0.209 8.817 16.071 348 HA2 GLY 54 HA2 GLY 54 1.169 9.750 18.528 349 HA3 GLY 54 HA1 GLY 54 -0.245 8.758 18.852 350 H ASP 55 HN ASP 55 1.640 7.644 20.041 351 HA ASP 55 HA ASP 55 3.582 6.188 18.644 352 HB2 ASP 55 HB2 ASP 55 3.072 6.596 21.260 353 HB3 ASP 55 HB1 ASP 55 2.454 4.956 21.093 354 H LYS 56 HN LYS 56 0.457 5.056 19.942 355 HA LYS 56 HA LYS 56 0.567 2.489 18.833 356 HB2 LYS 56 HB2 LYS 56 -1.088 3.636 20.565 357 HB3 LYS 56 HB1 LYS 56 -2.072 3.847 19.124 358 HG2 LYS 56 HG2 LYS 56 -1.742 1.350 18.737 359 HG3 LYS 56 HG1 LYS 56 -1.148 1.295 20.398 360 HD2 LYS 56 HD2 LYS 56 -3.436 2.699 20.732 361 HD3 LYS 56 HD1 LYS 56 -3.884 1.669 19.372 362 HE2 LYS 56 HE2 LYS 56 -4.435 0.665 21.559 363 HE3 LYS 56 HE1 LYS 56 -3.305 -0.310 20.622 364 HZ1 LYS 56 HZ3 LYS 56 -1.573 0.190 22.023 365 HZ2 LYS 56 HZ1 LYS 56 -2.861 0.130 23.119 366 HZ3 LYS 56 HZ2 LYS 56 -2.274 1.623 22.584 367 H ALA 57 HN ALA 57 -0.397 5.554 17.469 368 HA ALA 57 HA ALA 57 -1.692 4.463 15.165 369 HB1 ALA 57 HB3 ALA 57 -1.126 6.949 14.370 370 HB2 ALA 57 HB1 ALA 57 -0.919 7.159 16.109 371 HB3 ALA 57 HB2 ALA 57 -2.455 6.576 15.468 372 H LYS 58 HN LYS 58 1.513 5.866 15.781 373 HA LYS 58 HA LYS 58 2.496 5.700 13.166 374 HB2 LYS 58 HB2 LYS 58 3.922 5.605 15.825 375 HB3 LYS 58 HB1 LYS 58 4.760 5.693 14.282 376 HG2 LYS 58 HG2 LYS 58 3.987 7.848 13.846 377 HG3 LYS 58 HG1 LYS 58 2.695 7.724 15.042 378 HD2 LYS 58 HD2 LYS 58 4.198 7.934 16.841 379 HD3 LYS 58 HD1 LYS 58 5.598 7.617 15.814 380 HE2 LYS 58 HE2 LYS 58 4.601 9.798 14.592 381 HE3 LYS 58 HE1 LYS 58 4.080 10.112 16.247 382 HZ1 LYS 58 HZ3 LYS 58 6.129 11.007 16.379 383 HZ2 LYS 58 HZ1 LYS 58 6.762 10.067 15.122 384 HZ3 LYS 58 HZ2 LYS 58 6.599 9.409 16.672 385 H GLN 59 HN GLN 59 2.913 3.429 15.881 386 HA GLN 59 HA GLN 59 4.358 1.488 14.479 387 HB2 GLN 59 HB2 GLN 59 3.415 -0.085 16.264 388 HB3 GLN 59 HB1 GLN 59 4.356 1.292 16.821 389 HG2 GLN 59 HG2 GLN 59 2.674 1.959 18.083 390 HG3 GLN 59 HG1 GLN 59 1.634 2.083 16.665 391 HE21 GLN 59 HE21 GLN 59 0.994 -0.254 15.868 392 HE22 GLN 59 HE22 GLN 59 0.328 -1.258 17.106 393 H SER 60 HN SER 60 0.919 2.105 14.688 394 HA SER 60 HA SER 60 -0.002 -0.338 13.636 395 HG SER 60 HG SER 60 -1.503 0.812 15.576 396 HB2 SER 60 HB2 SER 60 -1.127 2.379 14.029 397 HB3 SER 60 HB1 SER 60 -1.930 1.365 12.830 398 H ILE 61 HN ILE 61 0.849 2.729 12.072 399 HA ILE 61 HA ILE 61 0.187 1.858 9.443 400 HB ILE 61 HB ILE 61 2.076 4.085 10.213 401 HG12 ILE 61 HG12 ILE 61 -0.874 4.336 9.625 402 HG13 ILE 61 HG11 ILE 61 -0.245 4.175 11.261 403 HG21 ILE 61 HG21 ILE 61 0.415 3.721 7.724 404 HG22 ILE 61 HG22 ILE 61 2.132 3.340 7.849 405 HG23 ILE 61 HG23 ILE 61 1.582 5.004 8.047 406 HD11 ILE 61 HD13 ILE 61 0.506 6.368 9.345 407 HD12 ILE 61 HD11 ILE 61 0.983 6.230 11.037 408 HD13 ILE 61 HD12 ILE 61 -0.708 6.503 10.616 409 H ARG 62 HN ARG 62 3.099 1.790 11.399 410 HA ARG 62 HA ARG 62 4.974 1.230 9.399 411 HE ARG 62 HE ARG 62 8.813 2.880 13.005 412 HB2 ARG 62 HB2 ARG 62 4.830 0.805 12.341 413 HB3 ARG 62 HB1 ARG 62 6.067 -0.074 11.453 414 HG2 ARG 62 HG2 ARG 62 7.187 1.848 10.844 415 HG3 ARG 62 HG1 ARG 62 5.763 2.868 11.054 416 HD2 ARG 62 HD2 ARG 62 6.587 3.427 13.046 417 HD3 ARG 62 HD1 ARG 62 6.212 1.787 13.571 418 HH11 ARG 62 HH11 ARG 62 6.923 -0.043 13.260 419 HH12 ARG 62 HH12 ARG 62 8.296 -1.053 13.563 420 HH21 ARG 62 HH21 ARG 62 10.620 1.553 13.404 421 HH22 ARG 62 HH22 ARG 62 10.395 -0.147 13.646 422 H ALA 63 HN ALA 63 2.963 -0.944 11.347 423 HA ALA 63 HA ALA 63 4.013 -3.341 10.243 424 HB1 ALA 63 HB3 ALA 63 1.727 -2.617 11.983 425 HB2 ALA 63 HB1 ALA 63 3.002 -3.813 12.221 426 HB3 ALA 63 HB2 ALA 63 1.649 -4.168 11.147 427 H LYS 64 HN LYS 64 1.385 -1.196 9.361 428 HA LYS 64 HA LYS 64 0.238 -2.980 7.431 429 HB2 LYS 64 HB2 LYS 64 -0.135 -0.033 7.965 430 HB3 LYS 64 HB1 LYS 64 -1.008 -0.899 6.710 431 HG2 LYS 64 HG2 LYS 64 -1.541 -2.490 8.801 432 HG3 LYS 64 HG1 LYS 64 -1.347 -0.948 9.637 433 HD2 LYS 64 HD2 LYS 64 -3.139 -1.354 7.247 434 HD3 LYS 64 HD1 LYS 64 -3.690 -1.460 8.920 435 HE2 LYS 64 HE2 LYS 64 -2.813 0.868 9.252 436 HE3 LYS 64 HE1 LYS 64 -2.538 0.941 7.512 437 HZ1 LYS 64 HZ3 LYS 64 -4.833 0.763 7.089 438 HZ2 LYS 64 HZ1 LYS 64 -4.691 1.906 8.329 439 HZ3 LYS 64 HZ2 LYS 64 -5.188 0.329 8.685 440 H CYS 65 HN CYS 65 2.411 -0.190 7.315 441 HA CYS 65 HA CYS 65 2.571 0.054 4.527 442 HG CYS 65 HG CYS 65 2.398 2.569 5.808 443 HB2 CYS 65 HB2 CYS 65 4.231 0.927 6.834 444 HB3 CYS 65 HB1 CYS 65 4.992 0.944 5.247 445 H THR 66 HN THR 66 4.153 -2.108 6.765 446 HA THR 66 HA THR 66 6.076 -3.046 4.828 447 HB THR 66 HB THR 66 6.660 -3.015 7.199 448 HG1 THR 66 HG1 THR 66 7.609 -4.972 7.211 449 HG21 THR 66 HG23 THR 66 5.681 -4.795 8.681 450 HG22 THR 66 HG21 THR 66 4.373 -4.933 7.505 451 HG23 THR 66 HG22 THR 66 4.644 -3.408 8.349 452 H GLU 67 HN GLU 67 2.936 -4.000 6.024 453 HA GLU 67 HA GLU 67 2.941 -6.641 4.990 454 HB2 GLU 67 HB2 GLU 67 1.383 -5.913 6.742 455 HB3 GLU 67 HB1 GLU 67 0.612 -4.813 5.608 456 HG2 GLU 67 HG2 GLU 67 -0.298 -6.575 4.351 457 HG3 GLU 67 HG1 GLU 67 0.746 -7.769 5.122 458 H TYR 68 HN TYR 68 1.640 -3.576 3.747 459 HA TYR 68 HA TYR 68 0.655 -4.691 1.328 460 HD1 TYR 68 HD1 TYR 68 -1.413 -4.302 1.722 461 HD2 TYR 68 HD2 TYR 68 -0.047 -0.625 3.369 462 HE1 TYR 68 HE1 TYR 68 -3.464 -4.151 3.071 463 HE2 TYR 68 HE2 TYR 68 -2.094 -0.464 4.723 464 HH TYR 68 HH TYR 68 -4.068 -2.928 5.373 465 HB2 TYR 68 HB2 TYR 68 1.364 -1.822 1.977 466 HB3 TYR 68 HB1 TYR 68 0.414 -2.353 0.594 467 H LEU 69 HN LEU 69 3.696 -3.200 2.273 468 HA LEU 69 HA LEU 69 4.812 -2.849 -0.271 469 HG LEU 69 HG LEU 69 5.219 -0.911 1.684 470 HB2 LEU 69 HB2 LEU 69 5.905 -3.156 2.485 471 HB3 LEU 69 HB1 LEU 69 7.017 -3.273 1.134 472 HD11 LEU 69 HD11 LEU 69 8.204 -1.008 1.983 473 HD12 LEU 69 HD12 LEU 69 7.114 -1.362 3.324 474 HD13 LEU 69 HD13 LEU 69 7.077 0.224 2.552 475 HD21 LEU 69 HD23 LEU 69 7.334 -1.445 -0.388 476 HD22 LEU 69 HD21 LEU 69 6.755 0.174 0.007 477 HD23 LEU 69 HD22 LEU 69 5.639 -1.027 -0.644 478 H ASP 70 HN ASP 70 4.691 -5.657 1.848 479 HA ASP 70 HA ASP 70 6.478 -7.264 0.333 480 HB2 ASP 70 HB2 ASP 70 5.859 -7.664 2.730 481 HB3 ASP 70 HB1 ASP 70 4.275 -8.203 2.180 482 H ARG 71 HN ARG 71 2.953 -6.935 0.399 483 HA ARG 71 HA ARG 71 2.429 -8.992 -1.476 484 HE ARG 71 HE ARG 71 -2.434 -9.142 -2.586 485 HB2 ARG 71 HB2 ARG 71 0.788 -7.924 0.149 486 HB3 ARG 71 HB1 ARG 71 0.688 -6.580 -0.980 487 HG2 ARG 71 HG2 ARG 71 -0.517 -7.758 -2.495 488 HG3 ARG 71 HG1 ARG 71 0.249 -9.292 -2.078 489 HD2 ARG 71 HD2 ARG 71 -1.095 -9.546 -0.149 490 HD3 ARG 71 HD1 ARG 71 -1.656 -7.876 -0.231 491 HH11 ARG 71 HH11 ARG 71 -3.092 -9.356 0.835 492 HH12 ARG 71 HH12 ARG 71 -4.705 -9.947 0.614 493 HH21 ARG 71 HH21 ARG 71 -4.555 -9.918 -2.878 494 HH22 ARG 71 HH22 ARG 71 -5.536 -10.260 -1.493 495 H ALA 72 HN ALA 72 2.545 -5.449 -1.827 496 HA ALA 72 HA ALA 72 2.081 -5.363 -4.586 497 HB1 ALA 72 HB3 ALA 72 3.551 -3.153 -4.254 498 HB2 ALA 72 HB1 ALA 72 3.177 -3.503 -2.566 499 HB3 ALA 72 HB2 ALA 72 1.871 -3.277 -3.730 500 H GLU 73 HN GLU 73 5.099 -5.613 -2.753 501 HA GLU 73 HA GLU 73 6.882 -5.351 -4.896 502 HB2 GLU 73 HB2 GLU 73 7.026 -6.559 -2.171 503 HB3 GLU 73 HB1 GLU 73 8.320 -6.911 -3.307 504 HG2 GLU 73 HG2 GLU 73 7.631 -4.080 -3.158 505 HG3 GLU 73 HG1 GLU 73 8.210 -4.757 -1.636 506 H LYS 74 HN LYS 74 5.077 -8.111 -3.701 507 HA LYS 74 HA LYS 74 6.460 -10.060 -5.255 508 HB2 LYS 74 HB2 LYS 74 3.997 -10.000 -3.587 509 HB3 LYS 74 HB1 LYS 74 4.142 -11.290 -4.768 510 HG2 LYS 74 HG2 LYS 74 5.815 -12.320 -3.645 511 HG3 LYS 74 HG1 LYS 74 6.488 -10.800 -3.038 512 HD2 LYS 74 HD2 LYS 74 4.346 -10.690 -1.599 513 HD3 LYS 74 HD1 LYS 74 4.190 -12.410 -1.975 514 HE2 LYS 74 HE2 LYS 74 6.703 -12.470 -1.207 515 HE3 LYS 74 HE1 LYS 74 6.253 -11.000 -0.354 516 HZ1 LYS 74 HZ3 LYS 74 4.962 -12.120 1.090 517 HZ2 LYS 74 HZ1 LYS 74 5.956 -13.420 0.673 518 HZ3 LYS 74 HZ2 LYS 74 4.440 -13.250 -0.056 519 H LEU 75 HN LEU 75 3.461 -8.229 -5.678 520 HA LEU 75 HA LEU 75 2.551 -9.481 -8.006 521 HG LEU 75 HG LEU 75 0.117 -8.834 -7.798 522 HB2 LEU 75 HB2 LEU 75 2.110 -6.839 -6.716 523 HB3 LEU 75 HB1 LEU 75 1.607 -7.016 -8.387 524 HD11 LEU 75 HD11 LEU 75 1.625 -9.646 -5.917 525 HD12 LEU 75 HD12 LEU 75 -0.115 -9.724 -5.640 526 HD13 LEU 75 HD13 LEU 75 0.838 -8.430 -4.912 527 HD21 LEU 75 HD23 LEU 75 -0.546 -6.893 -5.669 528 HD22 LEU 75 HD21 LEU 75 -1.532 -7.505 -6.998 529 HD23 LEU 75 HD22 LEU 75 -0.334 -6.245 -7.295 530 H LYS 76 HN LYS 76 4.511 -6.527 -7.661 531 HA LYS 76 HA LYS 76 4.890 -6.100 -10.410 532 HB2 LYS 76 HB2 LYS 76 6.741 -4.625 -9.734 533 HB3 LYS 76 HB1 LYS 76 5.289 -4.340 -8.784 534 HG2 LYS 76 HG2 LYS 76 6.321 -5.887 -7.045 535 HG3 LYS 76 HG1 LYS 76 7.824 -5.710 -7.954 536 HD2 LYS 76 HD2 LYS 76 7.060 -3.121 -7.722 537 HD3 LYS 76 HD1 LYS 76 6.417 -3.790 -6.221 538 HE2 LYS 76 HE2 LYS 76 8.604 -4.652 -5.635 539 HE3 LYS 76 HE1 LYS 76 9.263 -4.093 -7.171 540 HZ1 LYS 76 HZ3 LYS 76 8.255 -2.420 -4.938 541 HZ2 LYS 76 HZ1 LYS 76 8.654 -1.805 -6.464 542 HZ3 LYS 76 HZ2 LYS 76 9.846 -2.525 -5.504 543 H GLU 77 HN GLU 77 6.464 -8.197 -8.134 544 HA GLU 77 HA GLU 77 8.889 -8.662 -9.425 545 HB2 GLU 77 HB2 GLU 77 8.069 -9.480 -7.127 546 HB3 GLU 77 HB1 GLU 77 7.353 -10.820 -8.005 547 HG2 GLU 77 HG2 GLU 77 9.329 -11.820 -8.348 548 HG3 GLU 77 HG1 GLU 77 10.171 -10.300 -8.628 549 H TYR 78 HN TYR 78 5.898 -10.600 -9.658 550 HA TYR 78 HA TYR 78 6.919 -12.110 -11.870 551 HD1 TYR 78 HD2 TYR 78 3.276 -12.060 -13.160 552 HD2 TYR 78 HD1 TYR 78 3.548 -11.650 -8.940 553 HE1 TYR 78 HE2 TYR 78 1.012 -11.100 -13.120 554 HE2 TYR 78 HE1 TYR 78 1.282 -10.690 -8.884 555 HH TYR 78 HH TYR 78 -0.211 -9.366 -11.140 556 HB2 TYR 78 HB2 TYR 78 4.946 -13.360 -11.760 557 HB3 TYR 78 HB1 TYR 78 5.202 -12.860 -10.090 558 H LEU 79 HN LEU 79 4.720 -9.395 -11.460 559 HA LEU 79 HA LEU 79 3.670 -9.287 -14.050 560 HG LEU 79 HG LEU 79 2.167 -8.833 -11.810 561 HB2 LEU 79 HB2 LEU 79 4.137 -7.230 -11.920 562 HB3 LEU 79 HB1 LEU 79 3.534 -6.748 -13.500 563 HD11 LEU 79 HD11 LEU 79 0.574 -6.663 -11.610 564 HD12 LEU 79 HD12 LEU 79 2.165 -5.904 -11.570 565 HD13 LEU 79 HD13 LEU 79 1.750 -7.146 -10.390 566 HD21 LEU 79 HD23 LEU 79 0.371 -8.616 -13.280 567 HD22 LEU 79 HD21 LEU 79 1.778 -8.577 -14.340 568 HD23 LEU 79 HD22 LEU 79 0.952 -7.078 -13.910 569 H LYS 80 HN LYS 80 6.751 -8.246 -12.780 570 HA LYS 80 HA LYS 80 7.460 -6.715 -15.110 571 HB2 LYS 80 HB2 LYS 80 8.749 -7.436 -12.540 572 HB3 LYS 80 HB1 LYS 80 9.822 -7.081 -13.890 573 HG2 LYS 80 HG2 LYS 80 9.205 -4.881 -13.980 574 HG3 LYS 80 HG1 LYS 80 7.608 -5.186 -13.300 575 HD2 LYS 80 HD2 LYS 80 8.465 -5.357 -11.110 576 HD3 LYS 80 HD1 LYS 80 10.125 -5.521 -11.690 577 HE2 LYS 80 HE2 LYS 80 9.815 -3.168 -12.650 578 HE3 LYS 80 HE1 LYS 80 8.392 -3.070 -11.620 579 HZ1 LYS 80 HZ3 LYS 80 9.641 -2.920 -9.772 580 HZ2 LYS 80 HZ1 LYS 80 10.820 -2.345 -10.840 581 HZ3 LYS 80 HZ2 LYS 80 10.845 -3.961 -10.340 582 H ASN 81 HN ASN 81 8.266 -9.901 -13.790 583 HA ASN 81 HA ASN 81 10.179 -10.630 -15.700 584 HB2 ASN 81 HB2 ASN 81 9.231 -11.790 -13.460 585 HB3 ASN 81 HB1 ASN 81 8.389 -12.760 -14.670 586 HD21 ASN 81 HD21 ASN 81 11.013 -12.720 -12.800 587 HD22 ASN 81 HD22 ASN 81 12.104 -13.650 -13.760 Start of MODEL 18 1 H ASN 10 HN ASN 10 -2.776 13.285 5.342 2 HA ASN 10 HA ASN 10 -2.683 11.882 2.796 3 HB2 ASN 10 HB2 ASN 10 -0.585 11.926 4.970 4 HB3 ASN 10 HB1 ASN 10 -0.367 11.464 3.285 5 HD21 ASN 10 HD21 ASN 10 -0.719 14.082 5.520 6 HD22 ASN 10 HD22 ASN 10 -0.289 15.348 4.426 7 H LEU 11 HN LEU 11 -2.924 11.198 6.230 8 HA LEU 11 HA LEU 11 -2.536 8.391 6.029 9 HG LEU 11 HG LEU 11 -4.143 7.348 8.119 10 HB2 LEU 11 HB2 LEU 11 -2.262 9.674 8.123 11 HB3 LEU 11 HB1 LEU 11 -3.990 9.967 8.154 12 HD11 LEU 11 HD11 LEU 11 -2.131 6.618 9.668 13 HD12 LEU 11 HD12 LEU 11 -1.300 7.894 8.778 14 HD13 LEU 11 HD13 LEU 11 -2.023 6.540 7.909 15 HD21 LEU 11 HD23 LEU 11 -4.647 9.134 9.967 16 HD22 LEU 11 HD21 LEU 11 -3.188 8.477 10.708 17 HD23 LEU 11 HD22 LEU 11 -4.562 7.421 10.376 18 H GLN 12 HN GLN 12 -5.350 10.489 5.856 19 HA GLN 12 HA GLN 12 -7.352 8.540 6.057 20 HB2 GLN 12 HB2 GLN 12 -7.657 11.045 6.126 21 HB3 GLN 12 HB1 GLN 12 -7.495 11.044 4.375 22 HG2 GLN 12 HG2 GLN 12 -9.415 9.175 4.692 23 HG3 GLN 12 HG1 GLN 12 -9.747 10.223 6.070 24 HE21 GLN 12 HE21 GLN 12 -11.330 11.550 5.590 25 HE22 GLN 12 HE22 GLN 12 -11.530 12.402 4.101 26 H LYS 13 HN LYS 13 -5.765 9.902 3.178 27 HA LYS 13 HA LYS 13 -7.162 8.321 1.304 28 HB2 LYS 13 HB2 LYS 13 -5.576 10.447 1.054 29 HB3 LYS 13 HB1 LYS 13 -4.379 9.204 0.714 30 HG2 LYS 13 HG2 LYS 13 -6.349 8.368 -0.897 31 HG3 LYS 13 HG1 LYS 13 -6.690 10.100 -0.881 32 HD2 LYS 13 HD2 LYS 13 -4.005 10.117 -1.229 33 HD3 LYS 13 HD1 LYS 13 -4.434 8.621 -2.062 34 HE2 LYS 13 HE2 LYS 13 -6.126 10.976 -2.630 35 HE3 LYS 13 HE1 LYS 13 -4.471 11.038 -3.236 36 HZ1 LYS 13 HZ3 LYS 13 -4.808 9.194 -4.576 37 HZ2 LYS 13 HZ1 LYS 13 -6.275 10.025 -4.718 38 HZ3 LYS 13 HZ2 LYS 13 -6.165 8.669 -3.713 39 H ALA 14 HN ALA 14 -4.220 7.797 3.146 40 HA ALA 14 HA ALA 14 -3.215 5.584 1.754 41 HB1 ALA 14 HB3 ALA 14 -2.973 5.998 4.725 42 HB2 ALA 14 HB1 ALA 14 -2.046 6.922 3.543 43 HB3 ALA 14 HB2 ALA 14 -1.849 5.173 3.646 44 H ILE 15 HN ILE 15 -5.492 5.770 4.467 45 HA ILE 15 HA ILE 15 -5.784 2.963 4.773 46 HB ILE 15 HB ILE 15 -7.781 5.086 5.557 47 HG12 ILE 15 HG12 ILE 15 -5.926 4.021 7.589 48 HG13 ILE 15 HG11 ILE 15 -5.178 5.049 6.371 49 HG21 ILE 15 HG21 ILE 15 -7.380 2.667 7.188 50 HG22 ILE 15 HG22 ILE 15 -8.116 2.415 5.606 51 HG23 ILE 15 HG23 ILE 15 -8.865 3.518 6.760 52 HD11 ILE 15 HD13 ILE 15 -6.743 6.833 6.905 53 HD12 ILE 15 HD11 ILE 15 -5.845 6.319 8.334 54 HD13 ILE 15 HD12 ILE 15 -7.516 5.801 8.109 55 H ASP 16 HN ASP 16 -7.401 5.377 2.812 56 HA ASP 16 HA ASP 16 -9.593 3.736 2.034 57 HB2 ASP 16 HB2 ASP 16 -9.200 6.357 1.870 58 HB3 ASP 16 HB1 ASP 16 -8.620 5.932 0.262 59 H LEU 17 HN LEU 17 -6.555 4.646 0.420 60 HA LEU 17 HA LEU 17 -6.960 3.151 -1.918 61 HG LEU 17 HG LEU 17 -6.080 5.719 -1.719 62 HB2 LEU 17 HB2 LEU 17 -4.434 4.044 -0.537 63 HB3 LEU 17 HB1 LEU 17 -4.440 3.250 -2.100 64 HD11 LEU 17 HD11 LEU 17 -3.121 5.543 -1.743 65 HD12 LEU 17 HD12 LEU 17 -4.182 6.724 -0.976 66 HD13 LEU 17 HD13 LEU 17 -3.875 6.810 -2.711 67 HD21 LEU 17 HD23 LEU 17 -4.476 5.144 -4.137 68 HD22 LEU 17 HD21 LEU 17 -6.107 5.799 -3.983 69 HD23 LEU 17 HD22 LEU 17 -5.831 4.066 -3.802 70 H ALA 18 HN ALA 18 -5.454 2.302 1.165 71 HA ALA 18 HA ALA 18 -4.512 -0.244 0.390 72 HB1 ALA 18 HB3 ALA 18 -3.495 0.348 2.324 73 HB2 ALA 18 HB1 ALA 18 -4.828 -0.567 3.028 74 HB3 ALA 18 HB2 ALA 18 -4.915 1.192 2.941 75 H SER 19 HN SER 19 -7.540 0.827 1.879 76 HA SER 19 HA SER 19 -8.641 -1.711 2.350 77 HG SER 19 HG SER 19 -10.400 0.626 4.161 78 HB2 SER 19 HB2 SER 19 -9.875 1.005 1.920 79 HB3 SER 19 HB1 SER 19 -10.860 -0.425 2.213 80 H LYS 20 HN LYS 20 -8.865 0.445 -0.454 81 HA LYS 20 HA LYS 20 -10.610 -1.243 -1.931 82 HB2 LYS 20 HB2 LYS 20 -9.878 1.330 -2.195 83 HB3 LYS 20 HB1 LYS 20 -8.811 0.605 -3.390 84 HG2 LYS 20 HG2 LYS 20 -11.010 -0.562 -4.192 85 HG3 LYS 20 HG1 LYS 20 -11.770 0.797 -3.362 86 HD2 LYS 20 HD2 LYS 20 -11.050 2.303 -4.889 87 HD3 LYS 20 HD1 LYS 20 -9.522 1.469 -5.139 88 HE2 LYS 20 HE2 LYS 20 -10.700 -0.248 -6.457 89 HE3 LYS 20 HE1 LYS 20 -12.200 0.659 -6.255 90 HZ1 LYS 20 HZ3 LYS 20 -11.570 2.202 -7.752 91 HZ2 LYS 20 HZ1 LYS 20 -10.600 0.954 -8.341 92 HZ3 LYS 20 HZ2 LYS 20 -9.942 2.138 -7.328 93 H ALA 21 HN ALA 21 -7.114 -0.834 -1.808 94 HA ALA 21 HA ALA 21 -6.431 -2.418 -4.013 95 HB1 ALA 21 HB3 ALA 21 -4.229 -2.432 -3.168 96 HB2 ALA 21 HB1 ALA 21 -4.782 -2.216 -1.507 97 HB3 ALA 21 HB2 ALA 21 -4.923 -0.891 -2.663 98 H ALA 22 HN ALA 22 -6.797 -3.294 -0.587 99 HA ALA 22 HA ALA 22 -6.105 -5.995 -0.824 100 HB1 ALA 22 HB3 ALA 22 -7.660 -4.399 1.149 101 HB2 ALA 22 HB1 ALA 22 -6.171 -5.319 1.363 102 HB3 ALA 22 HB2 ALA 22 -7.717 -6.159 1.247 103 H GLN 23 HN GLN 23 -9.219 -4.363 -1.192 104 HA GLN 23 HA GLN 23 -10.700 -6.780 -1.559 105 HB2 GLN 23 HB2 GLN 23 -11.300 -3.863 -1.953 106 HB3 GLN 23 HB1 GLN 23 -12.440 -5.098 -2.487 107 HG2 GLN 23 HG2 GLN 23 -12.700 -5.918 -0.260 108 HG3 GLN 23 HG1 GLN 23 -11.410 -4.875 0.329 109 HE21 GLN 23 HE21 GLN 23 -14.460 -5.192 0.723 110 HE22 GLN 23 HE22 GLN 23 -15.020 -3.558 0.700 111 H GLU 24 HN GLU 24 -9.030 -4.536 -3.650 112 HA GLU 24 HA GLU 24 -10.180 -5.417 -6.094 113 HB2 GLU 24 HB2 GLU 24 -7.719 -3.855 -5.381 114 HB3 GLU 24 HB1 GLU 24 -8.007 -4.362 -7.040 115 HG2 GLU 24 HG2 GLU 24 -10.040 -2.822 -5.472 116 HG3 GLU 24 HG1 GLU 24 -8.757 -2.028 -6.375 117 H ASP 25 HN ASP 25 -7.326 -6.357 -4.255 118 HA ASP 25 HA ASP 25 -6.280 -8.110 -6.240 119 HB2 ASP 25 HB2 ASP 25 -4.894 -7.131 -4.438 120 HB3 ASP 25 HB1 ASP 25 -5.776 -8.092 -3.256 121 H LYS 26 HN LYS 26 -8.079 -8.679 -3.219 122 HA LYS 26 HA LYS 26 -8.279 -11.470 -3.540 123 HB2 LYS 26 HB2 LYS 26 -10.030 -11.340 -1.815 124 HB3 LYS 26 HB1 LYS 26 -8.602 -10.420 -1.372 125 HG2 LYS 26 HG2 LYS 26 -9.875 -8.656 -1.021 126 HG3 LYS 26 HG1 LYS 26 -10.290 -8.642 -2.734 127 HD2 LYS 26 HD2 LYS 26 -11.750 -10.600 -1.104 128 HD3 LYS 26 HD1 LYS 26 -12.080 -8.920 -0.716 129 HE2 LYS 26 HE2 LYS 26 -12.600 -8.492 -3.075 130 HE3 LYS 26 HE1 LYS 26 -12.280 -10.180 -3.447 131 HZ1 LYS 26 HZ3 LYS 26 -14.220 -9.676 -1.340 132 HZ2 LYS 26 HZ1 LYS 26 -14.240 -10.830 -2.575 133 HZ3 LYS 26 HZ2 LYS 26 -14.700 -9.238 -2.902 134 H ALA 27 HN ALA 27 -10.190 -8.804 -4.723 135 HA ALA 27 HA ALA 27 -12.460 -10.320 -5.493 136 HB1 ALA 27 HB3 ALA 27 -12.920 -8.293 -6.952 137 HB2 ALA 27 HB1 ALA 27 -11.460 -7.600 -6.260 138 HB3 ALA 27 HB2 ALA 27 -12.810 -8.018 -5.213 139 H GLY 28 HN GLY 28 -9.463 -9.420 -7.086 140 HA2 GLY 28 HA2 GLY 28 -8.987 -11.400 -8.737 141 HA3 GLY 28 HA1 GLY 28 -10.350 -10.670 -9.576 142 H ASN 29 HN ASN 29 -9.524 -7.957 -8.739 143 HA ASN 29 HA ASN 29 -7.810 -7.414 -10.960 144 HB2 ASN 29 HB2 ASN 29 -8.839 -5.586 -8.786 145 HB3 ASN 29 HB1 ASN 29 -8.014 -5.054 -10.240 146 HD21 ASN 29 HD21 ASN 29 -10.220 -3.868 -10.100 147 HD22 ASN 29 HD22 ASN 29 -11.480 -4.586 -11.040 148 H TYR 30 HN TYR 30 -5.683 -7.655 -10.930 149 HA TYR 30 HA TYR 30 -4.261 -7.356 -8.376 150 HD1 TYR 30 HD1 TYR 30 -5.844 -9.478 -8.915 151 HD2 TYR 30 HD2 TYR 30 -1.716 -10.500 -8.864 152 HE1 TYR 30 HE1 TYR 30 -6.351 -11.420 -7.497 153 HE2 TYR 30 HE2 TYR 30 -2.211 -12.450 -7.447 154 HH TYR 30 HH TYR 30 -4.967 -13.840 -7.131 155 HB2 TYR 30 HB2 TYR 30 -3.699 -8.911 -10.870 156 HB3 TYR 30 HB1 TYR 30 -2.374 -8.469 -9.806 157 H GLU 31 HN GLU 31 -4.338 -6.260 -11.710 158 HA GLU 31 HA GLU 31 -1.967 -4.737 -11.670 159 HB2 GLU 31 HB2 GLU 31 -4.474 -4.494 -13.330 160 HB3 GLU 31 HB1 GLU 31 -3.043 -3.507 -13.590 161 HG2 GLU 31 HG2 GLU 31 -2.441 -5.108 -15.020 162 HG3 GLU 31 HG1 GLU 31 -1.985 -6.013 -13.580 163 H GLU 32 HN GLU 32 -5.360 -3.689 -11.320 164 HA GLU 32 HA GLU 32 -4.765 -1.017 -10.680 165 HB2 GLU 32 HB2 GLU 32 -7.037 -2.314 -11.270 166 HB3 GLU 32 HB1 GLU 32 -7.210 -2.244 -9.529 167 HG2 GLU 32 HG2 GLU 32 -8.280 -0.326 -10.170 168 HG3 GLU 32 HG1 GLU 32 -6.655 0.275 -9.843 169 H ALA 33 HN ALA 33 -5.298 -3.863 -8.653 170 HA ALA 33 HA ALA 33 -5.256 -2.555 -6.167 171 HB1 ALA 33 HB3 ALA 33 -5.896 -4.998 -6.791 172 HB2 ALA 33 HB1 ALA 33 -5.204 -4.654 -5.206 173 HB3 ALA 33 HB2 ALA 33 -4.191 -5.329 -6.483 174 H LEU 34 HN LEU 34 -2.678 -3.784 -8.220 175 HA LEU 34 HA LEU 34 -0.564 -3.636 -6.389 176 HG LEU 34 HG LEU 34 1.574 -2.470 -8.312 177 HB2 LEU 34 HB2 LEU 34 -0.361 -4.777 -8.527 178 HB3 LEU 34 HB1 LEU 34 -0.555 -3.260 -9.383 179 HD11 LEU 34 HD11 LEU 34 2.229 -5.309 -7.711 180 HD12 LEU 34 HD12 LEU 34 1.310 -4.380 -6.526 181 HD13 LEU 34 HD13 LEU 34 2.904 -3.826 -7.038 182 HD21 LEU 34 HD23 LEU 34 2.861 -3.350 -9.994 183 HD22 LEU 34 HD21 LEU 34 1.244 -3.690 -10.610 184 HD23 LEU 34 HD22 LEU 34 2.175 -4.966 -9.824 185 H GLN 35 HN GLN 35 -1.699 -1.235 -8.759 186 HA GLN 35 HA GLN 35 0.158 0.766 -8.091 187 HB2 GLN 35 HB2 GLN 35 -2.526 0.785 -9.433 188 HB3 GLN 35 HB1 GLN 35 -1.707 2.297 -9.068 189 HG2 GLN 35 HG2 GLN 35 0.303 1.160 -10.290 190 HG3 GLN 35 HG1 GLN 35 -0.962 0.154 -10.990 191 HE21 GLN 35 HE21 GLN 35 -2.847 1.419 -11.890 192 HE22 GLN 35 HE22 GLN 35 -2.465 2.843 -12.790 193 H LEU 36 HN LEU 36 -2.902 -0.158 -6.683 194 HA LEU 36 HA LEU 36 -3.188 2.205 -5.085 195 HG LEU 36 HG LEU 36 -4.997 1.011 -6.935 196 HB2 LEU 36 HB2 LEU 36 -4.510 -0.501 -4.866 197 HB3 LEU 36 HB1 LEU 36 -4.970 0.916 -3.941 198 HD11 LEU 36 HD11 LEU 36 -7.039 -0.252 -5.133 199 HD12 LEU 36 HD12 LEU 36 -6.306 -0.905 -6.598 200 HD13 LEU 36 HD13 LEU 36 -7.462 0.421 -6.707 201 HD21 LEU 36 HD23 LEU 36 -6.509 2.428 -4.746 202 HD22 LEU 36 HD21 LEU 36 -6.825 2.628 -6.470 203 HD23 LEU 36 HD22 LEU 36 -5.267 3.108 -5.797 204 H TYR 37 HN TYR 37 -1.875 -1.026 -4.609 205 HA TYR 37 HA TYR 37 -1.546 -0.941 -1.829 206 HD1 TYR 37 HD1 TYR 37 -2.287 -2.604 -1.003 207 HD2 TYR 37 HD2 TYR 37 -1.044 -4.454 -4.627 208 HE1 TYR 37 HE1 TYR 37 -4.052 -4.296 -0.738 209 HE2 TYR 37 HE2 TYR 37 -2.806 -6.150 -4.372 210 HH TYR 37 HH TYR 37 -4.219 -6.963 -1.799 211 HB2 TYR 37 HB2 TYR 37 -0.088 -2.427 -4.006 212 HB3 TYR 37 HB1 TYR 37 0.343 -2.612 -2.310 213 H GLN 38 HN GLN 38 0.623 0.058 -4.449 214 HA GLN 38 HA GLN 38 2.779 0.801 -2.770 215 HB2 GLN 38 HB2 GLN 38 2.060 1.649 -5.580 216 HB3 GLN 38 HB1 GLN 38 3.568 2.075 -4.783 217 HG2 GLN 38 HG2 GLN 38 4.442 0.011 -5.025 218 HG3 GLN 38 HG1 GLN 38 2.886 -0.792 -4.826 219 HE21 GLN 38 HE21 GLN 38 3.838 -2.069 -6.632 220 HE22 GLN 38 HE22 GLN 38 3.535 -1.522 -8.243 221 H HIS 39 HN HIS 39 0.053 2.587 -4.135 222 HA HIS 39 HA HIS 39 0.840 5.163 -3.366 223 HD1 HIS 39 HD1 HIS 39 -2.895 6.125 -5.669 224 HD2 HIS 39 HD2 HIS 39 1.181 5.320 -5.603 225 HE1 HIS 39 HE1 HIS 39 -1.971 7.161 -7.765 226 HE2 HIS 39 HE2 HIS 39 0.482 6.587 -7.746 227 HB2 HIS 39 HB2 HIS 39 -1.733 3.862 -4.099 228 HB3 HIS 39 HB1 HIS 39 -1.822 5.415 -3.274 229 H ALA 40 HN ALA 40 -1.103 2.733 -1.662 230 HA ALA 40 HA ALA 40 -1.765 4.270 0.578 231 HB1 ALA 40 HB3 ALA 40 -1.299 1.293 0.528 232 HB2 ALA 40 HB1 ALA 40 -2.779 2.083 -0.014 233 HB3 ALA 40 HB2 ALA 40 -2.286 2.197 1.675 234 H VAL 41 HN VAL 41 1.045 2.210 -0.057 235 HA VAL 41 HA VAL 41 2.208 2.461 2.508 236 HB VAL 41 HB VAL 41 3.661 1.952 -0.091 237 HG11 VAL 41 HG11 VAL 41 4.740 2.414 2.341 238 HG12 VAL 41 HG12 VAL 41 5.472 1.375 1.118 239 HG13 VAL 41 HG13 VAL 41 4.512 0.666 2.416 240 HG21 VAL 41 HG23 VAL 41 2.916 -0.168 -0.152 241 HG22 VAL 41 HG21 VAL 41 1.581 0.456 0.817 242 HG23 VAL 41 HG22 VAL 41 2.946 -0.336 1.603 243 H GLN 42 HN GLN 42 2.443 4.371 -0.436 244 HA GLN 42 HA GLN 42 4.640 5.966 0.307 245 HB2 GLN 42 HB2 GLN 42 2.414 6.216 -1.666 246 HB3 GLN 42 HB1 GLN 42 3.383 7.641 -1.314 247 HG2 GLN 42 HG2 GLN 42 5.367 6.586 -2.065 248 HG3 GLN 42 HG1 GLN 42 4.575 5.013 -2.148 249 HE21 GLN 42 HE21 GLN 42 3.221 4.548 -3.866 250 HE22 GLN 42 HE22 GLN 42 3.175 5.511 -5.299 251 H TYR 43 HN TYR 43 1.143 6.501 0.647 252 HA TYR 43 HA TYR 43 1.444 9.003 1.985 253 HD1 TYR 43 HD2 TYR 43 -0.002 10.561 0.688 254 HD2 TYR 43 HD1 TYR 43 -1.568 6.734 -0.315 255 HE1 TYR 43 HE2 TYR 43 -0.433 11.344 -1.603 256 HE2 TYR 43 HE1 TYR 43 -2.002 7.506 -2.609 257 HH TYR 43 HH TYR 43 -0.699 9.778 -4.063 258 HB2 TYR 43 HB2 TYR 43 -0.935 7.137 1.865 259 HB3 TYR 43 HB1 TYR 43 -0.971 8.801 2.439 260 H PHE 44 HN PHE 44 0.987 5.668 3.025 261 HA PHE 44 HA PHE 44 0.489 6.141 5.739 262 HD1 PHE 44 HD2 PHE 44 -0.751 5.012 6.860 263 HD2 PHE 44 HD1 PHE 44 -0.156 2.353 3.591 264 HE1 PHE 44 HE2 PHE 44 -3.080 4.246 7.064 265 HE2 PHE 44 HE1 PHE 44 -2.484 1.583 3.788 266 HZ PHE 44 HZ PHE 44 -3.950 2.530 5.527 267 HB2 PHE 44 HB2 PHE 44 1.518 3.831 4.155 268 HB3 PHE 44 HB1 PHE 44 1.689 3.777 5.906 269 H LEU 45 HN LEU 45 3.573 5.324 4.144 270 HA LEU 45 HA LEU 45 5.185 5.607 6.418 271 HG LEU 45 HG LEU 45 5.105 3.697 3.998 272 HB2 LEU 45 HB2 LEU 45 5.885 5.987 3.506 273 HB3 LEU 45 HB1 LEU 45 7.057 5.855 4.803 274 HD11 LEU 45 HD11 LEU 45 7.478 2.626 3.491 275 HD12 LEU 45 HD12 LEU 45 7.897 4.318 3.217 276 HD13 LEU 45 HD13 LEU 45 6.598 3.569 2.289 277 HD21 LEU 45 HD23 LEU 45 5.542 3.421 6.294 278 HD22 LEU 45 HD21 LEU 45 7.243 3.847 6.104 279 HD23 LEU 45 HD22 LEU 45 6.642 2.314 5.472 280 H HIS 46 HN HIS 46 3.938 7.955 4.153 281 HA HIS 46 HA HIS 46 5.649 10.100 4.719 282 HD1 HIS 46 HD1 HIS 46 5.426 12.161 2.309 283 HD2 HIS 46 HD2 HIS 46 2.398 12.776 5.087 284 HE1 HIS 46 HE1 HIS 46 5.233 14.657 2.552 285 HE2 HIS 46 HE2 HIS 46 3.335 15.006 4.172 286 HB2 HIS 46 HB2 HIS 46 4.053 10.056 2.828 287 HB3 HIS 46 HB1 HIS 46 2.720 10.211 3.968 288 H VAL 47 HN VAL 47 2.724 8.967 6.329 289 HA VAL 47 HA VAL 47 2.605 11.182 8.149 290 HB VAL 47 HB VAL 47 1.249 8.501 8.440 291 HG11 VAL 47 HG11 VAL 47 -0.453 10.297 9.480 292 HG12 VAL 47 HG12 VAL 47 1.078 11.102 9.826 293 HG13 VAL 47 HG13 VAL 47 0.783 9.471 10.428 294 HG21 VAL 47 HG23 VAL 47 -0.558 9.272 7.156 295 HG22 VAL 47 HG21 VAL 47 0.873 9.713 6.224 296 HG23 VAL 47 HG22 VAL 47 0.028 10.935 7.173 297 H VAL 48 HN VAL 48 3.951 7.942 8.188 298 HA VAL 48 HA VAL 48 4.549 7.963 10.996 299 HB VAL 48 HB VAL 48 5.742 6.164 8.886 300 HG11 VAL 48 HG11 VAL 48 5.666 6.169 11.863 301 HG12 VAL 48 HG12 VAL 48 6.983 5.751 10.767 302 HG13 VAL 48 HG13 VAL 48 5.650 4.623 11.015 303 HG21 VAL 48 HG23 VAL 48 3.195 6.257 8.954 304 HG22 VAL 48 HG21 VAL 48 3.326 5.526 10.554 305 HG23 VAL 48 HG22 VAL 48 3.945 4.672 9.141 306 H LYS 49 HN LYS 49 6.282 8.690 8.022 307 HA LYS 49 HA LYS 49 8.842 8.947 9.268 308 HB2 LYS 49 HB2 LYS 49 8.547 8.424 6.862 309 HB3 LYS 49 HB1 LYS 49 7.894 10.038 6.613 310 HG2 LYS 49 HG2 LYS 49 10.543 9.892 7.901 311 HG3 LYS 49 HG1 LYS 49 10.462 9.399 6.209 312 HD2 LYS 49 HD2 LYS 49 9.614 11.507 5.539 313 HD3 LYS 49 HD1 LYS 49 9.292 11.986 7.207 314 HE2 LYS 49 HE2 LYS 49 11.241 13.120 6.856 315 HE3 LYS 49 HE1 LYS 49 11.892 11.592 7.449 316 HZ1 LYS 49 HZ3 LYS 49 12.754 12.708 5.240 317 HZ2 LYS 49 HZ1 LYS 49 11.458 11.851 4.570 318 HZ3 LYS 49 HZ2 LYS 49 12.673 11.027 5.410 319 H TYR 50 HN TYR 50 6.371 11.245 8.167 320 HA TYR 50 HA TYR 50 7.825 13.556 8.979 321 HD1 TYR 50 HD1 TYR 50 6.982 12.164 6.396 322 HD2 TYR 50 HD2 TYR 50 5.719 16.166 7.093 323 HE1 TYR 50 HE1 TYR 50 7.772 12.797 4.156 324 HE2 TYR 50 HE2 TYR 50 6.505 16.810 4.854 325 HH TYR 50 HH TYR 50 8.585 15.138 3.083 326 HB2 TYR 50 HB2 TYR 50 4.979 13.048 8.157 327 HB3 TYR 50 HB1 TYR 50 5.467 14.621 8.780 328 H GLU 51 HN GLU 51 4.657 12.523 10.227 329 HA GLU 51 HA GLU 51 5.512 12.384 12.935 330 HB2 GLU 51 HB2 GLU 51 4.077 14.367 13.674 331 HB3 GLU 51 HB1 GLU 51 5.640 14.733 12.957 332 HG2 GLU 51 HG2 GLU 51 4.718 15.587 11.039 333 HG3 GLU 51 HG1 GLU 51 3.231 14.656 11.211 334 H ALA 52 HN ALA 52 4.360 10.503 13.066 335 HA ALA 52 HA ALA 52 1.773 10.069 12.091 336 HB1 ALA 52 HB3 ALA 52 1.816 8.038 13.219 337 HB2 ALA 52 HB1 ALA 52 2.806 8.676 14.533 338 HB3 ALA 52 HB2 ALA 52 3.525 8.382 12.949 339 H GLN 53 HN GLN 53 0.172 9.144 14.056 340 HA GLN 53 HA GLN 53 -0.641 11.614 15.382 341 HB2 GLN 53 HB2 GLN 53 -2.760 10.374 15.826 342 HB3 GLN 53 HB1 GLN 53 -2.371 10.527 14.118 343 HG2 GLN 53 HG2 GLN 53 -1.669 8.263 13.988 344 HG3 GLN 53 HG1 GLN 53 -1.733 8.080 15.741 345 HE21 GLN 53 HE21 GLN 53 -3.650 8.496 12.838 346 HE22 GLN 53 HE22 GLN 53 -5.119 7.858 13.486 347 H GLY 54 HN GLY 54 0.484 8.384 16.102 348 HA2 GLY 54 HA2 GLY 54 1.136 9.147 18.791 349 HA3 GLY 54 HA1 GLY 54 -0.209 8.019 18.722 350 H ASP 55 HN ASP 55 1.954 7.216 20.071 351 HA ASP 55 HA ASP 55 3.971 5.932 18.599 352 HB2 ASP 55 HB2 ASP 55 2.860 5.448 21.362 353 HB3 ASP 55 HB1 ASP 55 4.210 4.521 20.713 354 H LYS 56 HN LYS 56 0.991 4.606 20.032 355 HA LYS 56 HA LYS 56 1.309 1.992 19.067 356 HB2 LYS 56 HB2 LYS 56 -1.279 3.449 19.636 357 HB3 LYS 56 HB1 LYS 56 -1.067 1.706 19.546 358 HG2 LYS 56 HG2 LYS 56 -0.152 1.570 21.607 359 HG3 LYS 56 HG1 LYS 56 0.643 3.140 21.478 360 HD2 LYS 56 HD2 LYS 56 -1.626 4.195 21.708 361 HD3 LYS 56 HD1 LYS 56 -2.258 2.590 22.079 362 HE2 LYS 56 HE2 LYS 56 -0.060 3.975 23.611 363 HE3 LYS 56 HE1 LYS 56 -1.755 3.941 24.095 364 HZ1 LYS 56 HZ3 LYS 56 -1.657 1.586 24.350 365 HZ2 LYS 56 HZ1 LYS 56 -0.350 2.246 25.199 366 HZ3 LYS 56 HZ2 LYS 56 -0.098 1.511 23.697 367 H ALA 57 HN ALA 57 0.035 4.885 17.579 368 HA ALA 57 HA ALA 57 -1.247 3.612 15.385 369 HB1 ALA 57 HB3 ALA 57 -1.485 6.040 16.309 370 HB2 ALA 57 HB1 ALA 57 -1.686 5.727 14.586 371 HB3 ALA 57 HB2 ALA 57 -0.166 6.388 15.190 372 H LYS 58 HN LYS 58 1.980 4.967 15.882 373 HA LYS 58 HA LYS 58 2.903 4.774 13.245 374 HB2 LYS 58 HB2 LYS 58 4.405 4.599 15.861 375 HB3 LYS 58 HB1 LYS 58 5.182 4.729 14.289 376 HG2 LYS 58 HG2 LYS 58 4.487 6.911 13.977 377 HG3 LYS 58 HG1 LYS 58 3.164 6.762 15.135 378 HD2 LYS 58 HD2 LYS 58 4.918 6.509 16.930 379 HD3 LYS 58 HD1 LYS 58 6.112 6.967 15.714 380 HE2 LYS 58 HE2 LYS 58 4.697 9.041 15.325 381 HE3 LYS 58 HE1 LYS 58 3.837 8.604 16.801 382 HZ1 LYS 58 HZ3 LYS 58 6.351 8.474 17.646 383 HZ2 LYS 58 HZ1 LYS 58 5.418 9.883 17.732 384 HZ3 LYS 58 HZ2 LYS 58 6.517 9.672 16.464 385 H GLN 59 HN GLN 59 3.203 2.473 15.944 386 HA GLN 59 HA GLN 59 4.605 0.490 14.551 387 HB2 GLN 59 HB2 GLN 59 3.749 -1.053 16.312 388 HB3 GLN 59 HB1 GLN 59 4.473 0.416 16.952 389 HG2 GLN 59 HG2 GLN 59 2.274 1.366 17.328 390 HG3 GLN 59 HG1 GLN 59 1.520 -0.064 16.626 391 HE21 GLN 59 HE21 GLN 59 1.758 -2.078 17.740 392 HE22 GLN 59 HE22 GLN 59 1.995 -2.100 19.452 393 H SER 60 HN SER 60 1.189 1.235 14.714 394 HA SER 60 HA SER 60 0.217 -1.173 13.603 395 HG SER 60 HG SER 60 -2.034 -1.146 13.656 396 HB2 SER 60 HB2 SER 60 -1.097 0.685 14.805 397 HB3 SER 60 HB1 SER 60 -1.115 1.506 13.244 398 H ILE 61 HN ILE 61 1.184 1.909 12.156 399 HA ILE 61 HA ILE 61 0.479 1.164 9.495 400 HB ILE 61 HB ILE 61 2.440 3.299 10.336 401 HG12 ILE 61 HG12 ILE 61 -0.485 3.727 9.757 402 HG13 ILE 61 HG11 ILE 61 0.088 3.376 11.384 403 HG21 ILE 61 HG21 ILE 61 1.659 4.348 8.189 404 HG22 ILE 61 HG22 ILE 61 0.866 2.818 7.817 405 HG23 ILE 61 HG23 ILE 61 2.618 2.879 8.006 406 HD11 ILE 61 HD13 ILE 61 -0.204 5.766 11.014 407 HD12 ILE 61 HD11 ILE 61 0.955 5.704 9.687 408 HD13 ILE 61 HD12 ILE 61 1.483 5.363 11.335 409 H ARG 62 HN ARG 62 3.388 0.934 11.443 410 HA ARG 62 HA ARG 62 5.246 0.395 9.421 411 HE ARG 62 HE ARG 62 6.578 1.158 14.088 412 HB2 ARG 62 HB2 ARG 62 5.087 -0.164 12.345 413 HB3 ARG 62 HB1 ARG 62 6.312 -1.012 11.410 414 HG2 ARG 62 HG2 ARG 62 6.931 1.338 10.532 415 HG3 ARG 62 HG1 ARG 62 6.029 1.916 11.934 416 HD2 ARG 62 HD2 ARG 62 8.242 -0.113 12.127 417 HD3 ARG 62 HD1 ARG 62 8.519 1.623 12.256 418 HH11 ARG 62 HH11 ARG 62 9.713 -0.259 13.501 419 HH12 ARG 62 HH12 ARG 62 9.987 -0.650 15.165 420 HH21 ARG 62 HH21 ARG 62 6.937 0.645 16.278 421 HH22 ARG 62 HH22 ARG 62 8.411 -0.137 16.742 422 H ALA 63 HN ALA 63 3.287 -1.844 11.372 423 HA ALA 63 HA ALA 63 4.227 -4.193 10.095 424 HB1 ALA 63 HB3 ALA 63 3.290 -4.491 12.224 425 HB2 ALA 63 HB1 ALA 63 2.117 -5.200 11.115 426 HB3 ALA 63 HB2 ALA 63 1.828 -3.601 11.801 427 H LYS 64 HN LYS 64 1.657 -1.932 9.397 428 HA LYS 64 HA LYS 64 0.334 -3.605 7.482 429 HB2 LYS 64 HB2 LYS 64 0.147 -0.651 8.076 430 HB3 LYS 64 HB1 LYS 64 -0.841 -1.459 6.866 431 HG2 LYS 64 HG2 LYS 64 -2.106 -2.551 8.422 432 HG3 LYS 64 HG1 LYS 64 -0.819 -2.551 9.629 433 HD2 LYS 64 HD2 LYS 64 -2.336 -1.009 10.480 434 HD3 LYS 64 HD1 LYS 64 -1.154 0.009 9.655 435 HE2 LYS 64 HE2 LYS 64 -2.630 0.672 8.084 436 HE3 LYS 64 HE1 LYS 64 -3.404 -0.909 7.997 437 HZ1 LYS 64 HZ3 LYS 64 -4.295 -0.237 10.327 438 HZ2 LYS 64 HZ1 LYS 64 -5.044 0.363 8.934 439 HZ3 LYS 64 HZ2 LYS 64 -3.969 1.337 9.803 440 H CYS 65 HN CYS 65 2.619 -0.905 7.317 441 HA CYS 65 HA CYS 65 2.678 -0.621 4.532 442 HG CYS 65 HG CYS 65 2.601 1.800 5.805 443 HB2 CYS 65 HB2 CYS 65 4.512 0.103 6.768 444 HB3 CYS 65 HB1 CYS 65 5.149 0.167 5.129 445 H THR 66 HN THR 66 4.252 -2.899 6.658 446 HA THR 66 HA THR 66 6.033 -3.889 4.611 447 HB THR 66 HB THR 66 6.771 -3.926 6.926 448 HG1 THR 66 HG1 THR 66 6.273 -6.578 6.065 449 HG21 THR 66 HG23 THR 66 5.778 -5.578 8.506 450 HG22 THR 66 HG21 THR 66 4.409 -5.719 7.404 451 HG23 THR 66 HG22 THR 66 4.767 -4.173 8.172 452 H GLU 67 HN GLU 67 2.924 -4.721 5.969 453 HA GLU 67 HA GLU 67 2.778 -7.337 4.840 454 HB2 GLU 67 HB2 GLU 67 1.429 -6.679 6.783 455 HB3 GLU 67 HB1 GLU 67 0.570 -5.506 5.796 456 HG2 GLU 67 HG2 GLU 67 -0.686 -7.084 4.758 457 HG3 GLU 67 HG1 GLU 67 0.567 -8.319 4.876 458 H TYR 68 HN TYR 68 1.405 -4.190 3.916 459 HA TYR 68 HA TYR 68 0.138 -5.134 1.565 460 HD1 TYR 68 HD2 TYR 68 -1.830 -4.724 2.177 461 HD2 TYR 68 HD1 TYR 68 -0.236 -1.141 3.826 462 HE1 TYR 68 HE2 TYR 68 -3.751 -4.580 3.706 463 HE2 TYR 68 HE1 TYR 68 -2.152 -0.987 5.360 464 HH TYR 68 HH TYR 68 -4.516 -1.808 5.442 465 HB2 TYR 68 HB2 TYR 68 1.031 -2.336 2.291 466 HB3 TYR 68 HB1 TYR 68 -0.055 -2.743 0.967 467 H LEU 69 HN LEU 69 3.319 -3.771 2.220 468 HA LEU 69 HA LEU 69 4.153 -3.363 -0.421 469 HG LEU 69 HG LEU 69 4.844 -1.496 1.531 470 HB2 LEU 69 HB2 LEU 69 5.533 -3.781 2.186 471 HB3 LEU 69 HB1 LEU 69 6.487 -3.896 0.720 472 HD11 LEU 69 HD11 LEU 69 7.804 -1.441 1.374 473 HD12 LEU 69 HD12 LEU 69 7.070 -2.215 2.778 474 HD13 LEU 69 HD13 LEU 69 6.704 -0.530 2.409 475 HD21 LEU 69 HD23 LEU 69 6.369 -2.226 -0.900 476 HD22 LEU 69 HD21 LEU 69 6.533 -0.571 -0.312 477 HD23 LEU 69 HD22 LEU 69 4.940 -1.209 -0.718 478 H ASP 70 HN ASP 70 4.426 -6.208 1.676 479 HA ASP 70 HA ASP 70 5.904 -7.805 -0.106 480 HB2 ASP 70 HB2 ASP 70 5.403 -8.178 2.401 481 HB3 ASP 70 HB1 ASP 70 3.908 -8.926 1.847 482 H ARG 71 HN ARG 71 2.448 -7.265 0.270 483 HA ARG 71 HA ARG 71 1.601 -9.333 -1.474 484 HE ARG 71 HE ARG 71 -3.341 -9.307 -1.905 485 HB2 ARG 71 HB2 ARG 71 0.151 -8.193 0.213 486 HB3 ARG 71 HB1 ARG 71 0.154 -6.764 -0.811 487 HG2 ARG 71 HG2 ARG 71 -1.749 -7.651 -1.600 488 HG3 ARG 71 HG1 ARG 71 -0.653 -8.618 -2.589 489 HD2 ARG 71 HD2 ARG 71 -0.985 -10.510 -1.351 490 HD3 ARG 71 HD1 ARG 71 -1.334 -9.614 0.126 491 HH11 ARG 71 HH11 ARG 71 -2.242 -11.290 0.744 492 HH12 ARG 71 HH12 ARG 71 -3.808 -11.960 1.054 493 HH21 ARG 71 HH21 ARG 71 -5.401 -10.180 -1.498 494 HH22 ARG 71 HH22 ARG 71 -5.602 -11.330 -0.219 495 H ALA 72 HN ALA 72 2.238 -5.879 -1.948 496 HA ALA 72 HA ALA 72 1.528 -5.928 -4.725 497 HB1 ALA 72 HB3 ALA 72 3.263 -3.756 -3.743 498 HB2 ALA 72 HB1 ALA 72 1.715 -3.944 -2.919 499 HB3 ALA 72 HB2 ALA 72 1.760 -3.684 -4.663 500 H GLU 73 HN GLU 73 4.464 -6.332 -2.874 501 HA GLU 73 HA GLU 73 6.348 -5.935 -4.911 502 HB2 GLU 73 HB2 GLU 73 6.321 -7.344 -2.291 503 HB3 GLU 73 HB1 GLU 73 7.624 -7.736 -3.405 504 HG2 GLU 73 HG2 GLU 73 7.670 -5.036 -3.508 505 HG3 GLU 73 HG1 GLU 73 7.131 -5.297 -1.850 506 H LYS 74 HN LYS 74 4.720 -8.898 -3.820 507 HA LYS 74 HA LYS 74 5.980 -10.550 -5.783 508 HB2 LYS 74 HB2 LYS 74 3.813 -10.900 -3.763 509 HB3 LYS 74 HB1 LYS 74 3.924 -12.070 -5.071 510 HG2 LYS 74 HG2 LYS 74 6.240 -12.540 -4.445 511 HG3 LYS 74 HG1 LYS 74 6.118 -11.380 -3.126 512 HD2 LYS 74 HD2 LYS 74 4.853 -12.760 -1.843 513 HD3 LYS 74 HD1 LYS 74 4.042 -13.480 -3.233 514 HE2 LYS 74 HE2 LYS 74 6.454 -14.470 -3.677 515 HE3 LYS 74 HE1 LYS 74 6.624 -14.210 -1.942 516 HZ1 LYS 74 HZ3 LYS 74 4.187 -15.530 -2.811 517 HZ2 LYS 74 HZ1 LYS 74 5.167 -15.840 -1.465 518 HZ3 LYS 74 HZ2 LYS 74 5.615 -16.420 -2.989 519 H LEU 75 HN LEU 75 2.915 -8.835 -5.552 520 HA LEU 75 HA LEU 75 1.604 -9.972 -7.739 521 HG LEU 75 HG LEU 75 -0.536 -9.456 -7.638 522 HB2 LEU 75 HB2 LEU 75 1.245 -7.722 -5.997 523 HB3 LEU 75 HB1 LEU 75 0.915 -7.229 -7.647 524 HD11 LEU 75 HD11 LEU 75 -0.648 -8.575 -4.759 525 HD12 LEU 75 HD12 LEU 75 0.158 -10.030 -5.332 526 HD13 LEU 75 HD13 LEU 75 -1.588 -9.861 -5.515 527 HD21 LEU 75 HD23 LEU 75 -1.178 -6.690 -6.720 528 HD22 LEU 75 HD21 LEU 75 -2.427 -7.935 -6.679 529 HD23 LEU 75 HD22 LEU 75 -1.645 -7.520 -8.205 530 H LYS 76 HN LYS 76 3.601 -7.026 -7.607 531 HA LYS 76 HA LYS 76 3.492 -6.532 -10.390 532 HB2 LYS 76 HB2 LYS 76 5.269 -4.916 -9.993 533 HB3 LYS 76 HB1 LYS 76 4.032 -4.785 -8.750 534 HG2 LYS 76 HG2 LYS 76 5.523 -6.276 -7.329 535 HG3 LYS 76 HG1 LYS 76 6.782 -5.962 -8.526 536 HD2 LYS 76 HD2 LYS 76 5.303 -3.649 -7.371 537 HD3 LYS 76 HD1 LYS 76 6.524 -4.451 -6.380 538 HE2 LYS 76 HE2 LYS 76 8.242 -3.737 -7.676 539 HE3 LYS 76 HE1 LYS 76 7.293 -3.808 -9.160 540 HZ1 LYS 76 HZ3 LYS 76 7.637 -1.618 -7.282 541 HZ2 LYS 76 HZ1 LYS 76 6.076 -1.810 -7.908 542 HZ3 LYS 76 HZ2 LYS 76 7.386 -1.582 -8.954 543 H GLU 77 HN GLU 77 5.502 -8.540 -8.393 544 HA GLU 77 HA GLU 77 7.755 -8.859 -9.971 545 HB2 GLU 77 HB2 GLU 77 7.253 -9.814 -7.647 546 HB3 GLU 77 HB1 GLU 77 6.464 -11.140 -8.489 547 HG2 GLU 77 HG2 GLU 77 8.429 -11.980 -9.304 548 HG3 GLU 77 HG1 GLU 77 9.242 -10.410 -9.259 549 H TYR 78 HN TYR 78 4.846 -10.930 -9.986 550 HA TYR 78 HA TYR 78 5.661 -12.400 -12.260 551 HD1 TYR 78 HD2 TYR 78 1.973 -11.990 -13.430 552 HD2 TYR 78 HD1 TYR 78 2.445 -11.790 -9.211 553 HE1 TYR 78 HE2 TYR 78 -0.197 -10.850 -13.250 554 HE2 TYR 78 HE1 TYR 78 0.273 -10.650 -9.020 555 HH TYR 78 HH TYR 78 -2.010 -10.700 -10.960 556 HB2 TYR 78 HB2 TYR 78 3.580 -13.490 -12.140 557 HB3 TYR 78 HB1 TYR 78 3.948 -13.070 -10.470 558 H LEU 79 HN LEU 79 3.708 -9.520 -11.820 559 HA LEU 79 HA LEU 79 2.642 -9.361 -14.420 560 HG LEU 79 HG LEU 79 1.305 -8.802 -11.890 561 HB2 LEU 79 HB2 LEU 79 3.222 -7.281 -12.330 562 HB3 LEU 79 HB1 LEU 79 2.501 -6.867 -13.870 563 HD11 LEU 79 HD11 LEU 79 1.472 -6.139 -11.510 564 HD12 LEU 79 HD12 LEU 79 0.131 -7.135 -10.940 565 HD13 LEU 79 HD13 LEU 79 -0.015 -6.235 -12.450 566 HD21 LEU 79 HD23 LEU 79 0.206 -7.583 -14.420 567 HD22 LEU 79 HD21 LEU 79 -0.699 -8.590 -13.290 568 HD23 LEU 79 HD22 LEU 79 0.660 -9.271 -14.180 569 H LYS 80 HN LYS 80 5.652 -8.143 -13.030 570 HA LYS 80 HA LYS 80 6.459 -6.795 -15.430 571 HB2 LYS 80 HB2 LYS 80 7.622 -7.301 -12.750 572 HB3 LYS 80 HB1 LYS 80 8.763 -7.016 -14.050 573 HG2 LYS 80 HG2 LYS 80 7.726 -4.883 -14.540 574 HG3 LYS 80 HG1 LYS 80 6.503 -5.174 -13.300 575 HD2 LYS 80 HD2 LYS 80 8.026 -4.920 -11.560 576 HD3 LYS 80 HD1 LYS 80 9.416 -5.223 -12.600 577 HE2 LYS 80 HE2 LYS 80 9.206 -3.087 -13.630 578 HE3 LYS 80 HE1 LYS 80 7.642 -2.805 -12.870 579 HZ1 LYS 80 HZ3 LYS 80 10.159 -3.133 -11.340 580 HZ2 LYS 80 HZ1 LYS 80 8.665 -2.587 -10.760 581 HZ3 LYS 80 HZ2 LYS 80 9.563 -1.628 -11.830 582 H ASN 81 HN ASN 81 6.943 -9.962 -14.030 583 HA ASN 81 HA ASN 81 9.106 -10.760 -15.670 584 HB2 ASN 81 HB2 ASN 81 7.109 -12.180 -13.950 585 HB3 ASN 81 HB1 ASN 81 8.092 -13.120 -15.070 586 HD21 ASN 81 HD21 ASN 81 10.497 -12.030 -15.000 587 HD22 ASN 81 HD22 ASN 81 11.166 -12.060 -13.410 Start of MODEL 19 1 H ASN 10 HN ASN 10 -2.746 13.030 4.747 2 HA ASN 10 HA ASN 10 -2.272 11.303 2.461 3 HB2 ASN 10 HB2 ASN 10 -0.629 12.338 4.727 4 HB3 ASN 10 HB1 ASN 10 -0.116 10.847 3.943 5 HD21 ASN 10 HD21 ASN 10 -1.399 14.004 2.939 6 HD22 ASN 10 HD22 ASN 10 -0.225 14.275 1.701 7 H LEU 11 HN LEU 11 -2.584 10.985 5.985 8 HA LEU 11 HA LEU 11 -2.316 8.168 6.035 9 HG LEU 11 HG LEU 11 -3.916 7.349 8.173 10 HB2 LEU 11 HB2 LEU 11 -1.975 9.598 8.006 11 HB3 LEU 11 HB1 LEU 11 -3.682 9.999 8.009 12 HD11 LEU 11 HD11 LEU 11 -1.479 6.994 8.064 13 HD12 LEU 11 HD12 LEU 11 -2.190 6.385 9.558 14 HD13 LEU 11 HD13 LEU 11 -1.300 7.908 9.561 15 HD21 LEU 11 HD23 LEU 11 -3.645 9.499 10.183 16 HD22 LEU 11 HD21 LEU 11 -3.605 7.842 10.784 17 HD23 LEU 11 HD22 LEU 11 -4.993 8.409 9.857 18 H GLN 12 HN GLN 12 -5.135 10.313 5.949 19 HA GLN 12 HA GLN 12 -7.121 8.362 6.202 20 HB2 GLN 12 HB2 GLN 12 -7.507 10.808 6.364 21 HB3 GLN 12 HB1 GLN 12 -7.269 10.938 4.627 22 HG2 GLN 12 HG2 GLN 12 -9.200 9.438 4.288 23 HG3 GLN 12 HG1 GLN 12 -9.462 9.429 6.031 24 HE21 GLN 12 HE21 GLN 12 -10.880 10.832 6.760 25 HE22 GLN 12 HE22 GLN 12 -11.350 12.302 5.986 26 H LYS 13 HN LYS 13 -5.394 9.549 3.365 27 HA LYS 13 HA LYS 13 -6.965 8.074 1.487 28 HB2 LYS 13 HB2 LYS 13 -5.292 10.167 1.236 29 HB3 LYS 13 HB1 LYS 13 -4.198 8.870 0.775 30 HG2 LYS 13 HG2 LYS 13 -6.324 8.211 -0.720 31 HG3 LYS 13 HG1 LYS 13 -6.549 9.960 -0.629 32 HD2 LYS 13 HD2 LYS 13 -3.895 9.809 -1.159 33 HD3 LYS 13 HD1 LYS 13 -4.487 8.382 -2.013 34 HE2 LYS 13 HE2 LYS 13 -4.713 9.975 -3.647 35 HE3 LYS 13 HE1 LYS 13 -6.306 10.054 -2.895 36 HZ1 LYS 13 HZ3 LYS 13 -4.243 11.797 -1.798 37 HZ2 LYS 13 HZ1 LYS 13 -5.895 12.084 -2.024 38 HZ3 LYS 13 HZ2 LYS 13 -4.830 12.193 -3.334 39 H ALA 14 HN ALA 14 -4.060 7.462 3.330 40 HA ALA 14 HA ALA 14 -3.112 5.237 1.882 41 HB1 ALA 14 HB3 ALA 14 -1.863 6.570 3.626 42 HB2 ALA 14 HB1 ALA 14 -1.682 4.818 3.719 43 HB3 ALA 14 HB2 ALA 14 -2.757 5.655 4.840 44 H ILE 15 HN ILE 15 -5.447 5.552 4.501 45 HA ILE 15 HA ILE 15 -5.744 2.725 4.883 46 HB ILE 15 HB ILE 15 -7.656 4.891 5.751 47 HG12 ILE 15 HG12 ILE 15 -5.426 3.740 7.421 48 HG13 ILE 15 HG11 ILE 15 -5.205 5.193 6.451 49 HG21 ILE 15 HG21 ILE 15 -8.049 2.240 5.821 50 HG22 ILE 15 HG22 ILE 15 -8.688 3.346 7.038 51 HG23 ILE 15 HG23 ILE 15 -7.199 2.453 7.351 52 HD11 ILE 15 HD13 ILE 15 -5.771 6.141 8.429 53 HD12 ILE 15 HD11 ILE 15 -6.776 4.779 8.924 54 HD13 ILE 15 HD12 ILE 15 -7.384 5.941 7.745 55 H ASP 16 HN ASP 16 -7.326 5.194 2.973 56 HA ASP 16 HA ASP 16 -9.606 3.627 2.277 57 HB2 ASP 16 HB2 ASP 16 -9.133 6.243 2.122 58 HB3 ASP 16 HB1 ASP 16 -8.655 5.811 0.484 59 H LEU 17 HN LEU 17 -6.536 4.373 0.666 60 HA LEU 17 HA LEU 17 -7.069 2.990 -1.727 61 HG LEU 17 HG LEU 17 -5.997 5.517 -1.107 62 HB2 LEU 17 HB2 LEU 17 -4.399 3.495 -0.409 63 HB3 LEU 17 HB1 LEU 17 -4.649 3.055 -2.088 64 HD11 LEU 17 HD11 LEU 17 -3.236 5.898 -2.054 65 HD12 LEU 17 HD12 LEU 17 -3.406 5.256 -0.420 66 HD13 LEU 17 HD13 LEU 17 -4.160 6.792 -0.847 67 HD21 LEU 17 HD23 LEU 17 -5.959 4.377 -3.487 68 HD22 LEU 17 HD21 LEU 17 -4.449 5.277 -3.633 69 HD23 LEU 17 HD22 LEU 17 -5.956 6.132 -3.306 70 H ALA 18 HN ALA 18 -5.441 1.976 1.259 71 HA ALA 18 HA ALA 18 -4.700 -0.593 0.431 72 HB1 ALA 18 HB3 ALA 18 -5.056 0.767 3.036 73 HB2 ALA 18 HB1 ALA 18 -3.660 -0.092 2.383 74 HB3 ALA 18 HB2 ALA 18 -5.020 -0.996 3.049 75 H SER 19 HN SER 19 -7.645 0.537 2.062 76 HA SER 19 HA SER 19 -8.868 -1.961 2.381 77 HG SER 19 HG SER 19 -9.504 -0.938 4.262 78 HB2 SER 19 HB2 SER 19 -10.010 0.817 2.105 79 HB3 SER 19 HB1 SER 19 -11.010 -0.598 2.431 80 H LYS 20 HN LYS 20 -9.022 0.369 -0.282 81 HA LYS 20 HA LYS 20 -10.870 -1.173 -1.819 82 HB2 LYS 20 HB2 LYS 20 -10.110 1.406 -1.910 83 HB3 LYS 20 HB1 LYS 20 -9.090 0.764 -3.187 84 HG2 LYS 20 HG2 LYS 20 -10.930 0.072 -4.466 85 HG3 LYS 20 HG1 LYS 20 -12.040 0.261 -3.108 86 HD2 LYS 20 HD2 LYS 20 -12.510 2.187 -4.236 87 HD3 LYS 20 HD1 LYS 20 -11.180 2.765 -3.237 88 HE2 LYS 20 HE2 LYS 20 -10.350 3.482 -5.203 89 HE3 LYS 20 HE1 LYS 20 -9.824 1.807 -5.364 90 HZ1 LYS 20 HZ3 LYS 20 -12.210 1.564 -6.385 91 HZ2 LYS 20 HZ1 LYS 20 -10.900 2.072 -7.327 92 HZ3 LYS 20 HZ2 LYS 20 -12.000 3.208 -6.720 93 H ALA 21 HN ALA 21 -7.392 -0.983 -1.576 94 HA ALA 21 HA ALA 21 -6.801 -2.383 -3.978 95 HB1 ALA 21 HB3 ALA 21 -5.251 -0.903 -2.566 96 HB2 ALA 21 HB1 ALA 21 -4.572 -2.363 -3.287 97 HB3 ALA 21 HB2 ALA 21 -5.004 -2.342 -1.577 98 H ALA 22 HN ALA 22 -7.004 -3.390 -0.575 99 HA ALA 22 HA ALA 22 -6.334 -6.084 -0.964 100 HB1 ALA 22 HB3 ALA 22 -6.763 -4.577 1.210 101 HB2 ALA 22 HB1 ALA 22 -6.759 -6.341 1.244 102 HB3 ALA 22 HB2 ALA 22 -8.287 -5.464 1.164 103 H GLN 23 HN GLN 23 -9.422 -4.397 -1.158 104 HA GLN 23 HA GLN 23 -11.020 -6.736 -1.405 105 HB2 GLN 23 HB2 GLN 23 -11.470 -3.822 -1.989 106 HB3 GLN 23 HB1 GLN 23 -12.680 -5.030 -2.403 107 HG2 GLN 23 HG2 GLN 23 -12.220 -5.707 0.151 108 HG3 GLN 23 HG1 GLN 23 -11.870 -3.981 0.226 109 HE21 GLN 23 HE21 GLN 23 -14.260 -6.003 -1.447 110 HE22 GLN 23 HE22 GLN 23 -15.640 -5.094 -0.934 111 H GLU 24 HN GLU 24 -9.270 -4.722 -3.661 112 HA GLU 24 HA GLU 24 -10.510 -5.670 -6.028 113 HB2 GLU 24 HB2 GLU 24 -7.822 -4.388 -5.544 114 HB3 GLU 24 HB1 GLU 24 -8.441 -4.765 -7.145 115 HG2 GLU 24 HG2 GLU 24 -10.240 -3.202 -5.437 116 HG3 GLU 24 HG1 GLU 24 -8.755 -2.392 -5.907 117 H ASP 25 HN ASP 25 -7.407 -6.497 -4.487 118 HA ASP 25 HA ASP 25 -6.683 -8.522 -6.284 119 HB2 ASP 25 HB2 ASP 25 -5.256 -7.375 -4.480 120 HB3 ASP 25 HB1 ASP 25 -5.946 -8.549 -3.363 121 H LYS 26 HN LYS 26 -8.349 -8.724 -3.148 122 HA LYS 26 HA LYS 26 -8.652 -11.500 -3.098 123 HB2 LYS 26 HB2 LYS 26 -9.969 -9.210 -1.741 124 HB3 LYS 26 HB1 LYS 26 -10.780 -10.760 -1.673 125 HG2 LYS 26 HG2 LYS 26 -8.458 -11.640 -0.904 126 HG3 LYS 26 HG1 LYS 26 -8.158 -9.950 -0.515 127 HD2 LYS 26 HD2 LYS 26 -10.460 -10.090 0.691 128 HD3 LYS 26 HD1 LYS 26 -10.160 -11.830 0.652 129 HE2 LYS 26 HE2 LYS 26 -7.875 -11.270 1.662 130 HE3 LYS 26 HE1 LYS 26 -8.572 -9.689 2.015 131 HZ1 LYS 26 HZ3 LYS 26 -9.158 -10.720 3.912 132 HZ2 LYS 26 HZ1 LYS 26 -9.114 -12.270 3.234 133 HZ3 LYS 26 HZ2 LYS 26 -10.460 -11.270 2.988 134 H ALA 27 HN ALA 27 -10.490 -9.001 -4.689 135 HA ALA 27 HA ALA 27 -12.730 -10.670 -5.332 136 HB1 ALA 27 HB3 ALA 27 -13.460 -8.812 -6.726 137 HB2 ALA 27 HB1 ALA 27 -11.890 -8.029 -6.523 138 HB3 ALA 27 HB2 ALA 27 -12.960 -8.243 -5.134 139 H GLY 28 HN GLY 28 -9.855 -9.533 -7.064 140 HA2 GLY 28 HA2 GLY 28 -9.264 -11.680 -8.553 141 HA3 GLY 28 HA1 GLY 28 -10.590 -10.990 -9.459 142 H ASN 29 HN ASN 29 -9.796 -8.243 -8.683 143 HA ASN 29 HA ASN 29 -8.033 -7.758 -10.870 144 HB2 ASN 29 HB2 ASN 29 -8.994 -5.844 -8.741 145 HB3 ASN 29 HB1 ASN 29 -8.256 -5.399 -10.270 146 HD21 ASN 29 HD21 ASN 29 -10.430 -4.182 -10.090 147 HD22 ASN 29 HD22 ASN 29 -11.760 -4.940 -10.900 148 H TYR 30 HN TYR 30 -5.923 -8.134 -10.770 149 HA TYR 30 HA TYR 30 -4.529 -7.796 -8.218 150 HD1 TYR 30 HD2 TYR 30 -6.123 -9.910 -8.809 151 HD2 TYR 30 HD1 TYR 30 -2.001 -10.950 -8.677 152 HE1 TYR 30 HE2 TYR 30 -6.667 -11.850 -7.412 153 HE2 TYR 30 HE1 TYR 30 -2.533 -12.900 -7.281 154 HH TYR 30 HH TYR 30 -5.436 -13.300 -5.713 155 HB2 TYR 30 HB2 TYR 30 -3.941 -9.339 -10.720 156 HB3 TYR 30 HB1 TYR 30 -2.630 -8.915 -9.626 157 H GLU 31 HN GLU 31 -4.400 -6.793 -11.600 158 HA GLU 31 HA GLU 31 -2.070 -5.249 -11.470 159 HB2 GLU 31 HB2 GLU 31 -3.876 -5.905 -13.430 160 HB3 GLU 31 HB1 GLU 31 -4.167 -4.183 -13.230 161 HG2 GLU 31 HG2 GLU 31 -1.356 -5.095 -13.470 162 HG3 GLU 31 HG1 GLU 31 -2.365 -5.122 -14.920 163 H GLU 32 HN GLU 32 -5.461 -4.154 -11.280 164 HA GLU 32 HA GLU 32 -4.879 -1.487 -10.640 165 HB2 GLU 32 HB2 GLU 32 -7.114 -2.586 -11.360 166 HB3 GLU 32 HB1 GLU 32 -7.342 -2.889 -9.649 167 HG2 GLU 32 HG2 GLU 32 -8.356 -0.895 -9.688 168 HG3 GLU 32 HG1 GLU 32 -6.709 -0.272 -9.593 169 H ALA 33 HN ALA 33 -5.206 -4.345 -8.637 170 HA ALA 33 HA ALA 33 -5.290 -2.989 -6.143 171 HB1 ALA 33 HB3 ALA 33 -6.003 -5.375 -6.610 172 HB2 ALA 33 HB1 ALA 33 -5.068 -5.112 -5.138 173 HB3 ALA 33 HB2 ALA 33 -4.290 -5.793 -6.567 174 H LEU 34 HN LEU 34 -2.691 -4.234 -8.161 175 HA LEU 34 HA LEU 34 -0.592 -4.052 -6.316 176 HG LEU 34 HG LEU 34 1.560 -2.921 -8.168 177 HB2 LEU 34 HB2 LEU 34 -0.370 -5.221 -8.438 178 HB3 LEU 34 HB1 LEU 34 -0.559 -3.715 -9.315 179 HD11 LEU 34 HD11 LEU 34 2.165 -5.806 -7.700 180 HD12 LEU 34 HD12 LEU 34 1.324 -4.874 -6.461 181 HD13 LEU 34 HD13 LEU 34 2.923 -4.371 -7.010 182 HD21 LEU 34 HD23 LEU 34 1.932 -5.346 -9.909 183 HD22 LEU 34 HD21 LEU 34 2.959 -3.918 -9.796 184 HD23 LEU 34 HD22 LEU 34 1.358 -3.797 -10.520 185 H GLN 35 HN GLN 35 -1.660 -1.697 -8.768 186 HA GLN 35 HA GLN 35 0.165 0.320 -8.095 187 HB2 GLN 35 HB2 GLN 35 -1.413 1.849 -9.255 188 HB3 GLN 35 HB1 GLN 35 -1.043 0.402 -10.180 189 HG2 GLN 35 HG2 GLN 35 -3.149 -0.507 -9.849 190 HG3 GLN 35 HG1 GLN 35 -3.477 0.517 -8.452 191 HE21 GLN 35 HE21 GLN 35 -3.421 2.931 -9.015 192 HE22 GLN 35 HE22 GLN 35 -4.278 3.386 -10.440 193 H LEU 36 HN LEU 36 -2.955 -0.540 -6.753 194 HA LEU 36 HA LEU 36 -3.275 1.830 -5.198 195 HG LEU 36 HG LEU 36 -5.101 0.611 -6.992 196 HB2 LEU 36 HB2 LEU 36 -4.537 -0.900 -4.965 197 HB3 LEU 36 HB1 LEU 36 -5.007 0.483 -3.995 198 HD11 LEU 36 HD11 LEU 36 -7.564 0.055 -6.691 199 HD12 LEU 36 HD12 LEU 36 -7.107 -0.614 -5.125 200 HD13 LEU 36 HD13 LEU 36 -6.424 -1.288 -6.605 201 HD21 LEU 36 HD23 LEU 36 -5.489 2.728 -6.266 202 HD22 LEU 36 HD21 LEU 36 -6.102 2.198 -4.699 203 HD23 LEU 36 HD22 LEU 36 -7.131 2.099 -6.128 204 H TYR 37 HN TYR 37 -1.959 -1.386 -4.577 205 HA TYR 37 HA TYR 37 -1.614 -1.155 -1.808 206 HD1 TYR 37 HD2 TYR 37 -2.532 -2.777 -1.058 207 HD2 TYR 37 HD1 TYR 37 -1.043 -4.786 -4.500 208 HE1 TYR 37 HE2 TYR 37 -4.350 -4.423 -0.876 209 HE2 TYR 37 HE1 TYR 37 -2.857 -6.437 -4.328 210 HH TYR 37 HH TYR 37 -4.357 -7.323 -2.333 211 HB2 TYR 37 HB2 TYR 37 -0.103 -2.747 -3.881 212 HB3 TYR 37 HB1 TYR 37 0.200 -2.893 -2.153 213 H GLN 38 HN GLN 38 0.603 -0.386 -4.475 214 HA GLN 38 HA GLN 38 2.781 0.412 -2.897 215 HB2 GLN 38 HB2 GLN 38 2.027 1.451 -5.634 216 HB3 GLN 38 HB1 GLN 38 3.623 1.507 -4.898 217 HG2 GLN 38 HG2 GLN 38 3.070 -1.151 -4.785 218 HG3 GLN 38 HG1 GLN 38 2.255 -0.681 -6.276 219 HE21 GLN 38 HE21 GLN 38 3.491 -1.137 -7.942 220 HE22 GLN 38 HE22 GLN 38 5.193 -0.868 -8.056 221 H HIS 39 HN HIS 39 -0.004 2.201 -4.117 222 HA HIS 39 HA HIS 39 0.838 4.782 -3.418 223 HD1 HIS 39 HD1 HIS 39 -3.054 5.549 -5.611 224 HD2 HIS 39 HD2 HIS 39 1.083 5.163 -5.544 225 HE1 HIS 39 HE1 HIS 39 -2.242 6.650 -7.721 226 HE2 HIS 39 HE2 HIS 39 0.257 6.327 -7.700 227 HB2 HIS 39 HB2 HIS 39 -1.771 3.485 -4.005 228 HB3 HIS 39 HB1 HIS 39 -1.820 5.033 -3.169 229 H ALA 40 HN ALA 40 -1.068 2.403 -1.595 230 HA ALA 40 HA ALA 40 -1.543 3.970 0.674 231 HB1 ALA 40 HB3 ALA 40 -1.518 1.527 1.755 232 HB2 ALA 40 HB1 ALA 40 -1.601 1.078 0.051 233 HB3 ALA 40 HB2 ALA 40 -2.844 2.115 0.752 234 H VAL 41 HN VAL 41 1.142 1.801 -0.116 235 HA VAL 41 HA VAL 41 2.460 1.967 2.369 236 HB VAL 41 HB VAL 41 3.755 1.513 -0.321 237 HG11 VAL 41 HG11 VAL 41 5.461 0.344 0.906 238 HG12 VAL 41 HG12 VAL 41 4.579 0.559 2.418 239 HG13 VAL 41 HG13 VAL 41 5.271 1.957 1.594 240 HG21 VAL 41 HG23 VAL 41 2.961 -0.588 -0.406 241 HG22 VAL 41 HG21 VAL 41 1.695 0.032 0.653 242 HG23 VAL 41 HG22 VAL 41 3.083 -0.813 1.339 243 H GLN 42 HN GLN 42 2.494 4.014 -0.473 244 HA GLN 42 HA GLN 42 4.790 5.530 0.205 245 HB2 GLN 42 HB2 GLN 42 2.516 5.835 -1.696 246 HB3 GLN 42 HB1 GLN 42 3.473 7.262 -1.326 247 HG2 GLN 42 HG2 GLN 42 5.496 5.754 -1.888 248 HG3 GLN 42 HG1 GLN 42 4.299 4.736 -2.686 249 HE21 GLN 42 HE21 GLN 42 5.587 8.015 -2.560 250 HE22 GLN 42 HE22 GLN 42 5.248 8.406 -4.208 251 H TYR 43 HN TYR 43 1.314 6.123 0.660 252 HA TYR 43 HA TYR 43 1.716 8.575 2.069 253 HD1 TYR 43 HD2 TYR 43 0.215 10.220 0.816 254 HD2 TYR 43 HD1 TYR 43 -1.327 6.398 -0.240 255 HE1 TYR 43 HE2 TYR 43 -0.234 11.036 -1.460 256 HE2 TYR 43 HE1 TYR 43 -1.779 7.203 -2.519 257 HH TYR 43 HH TYR 43 -0.634 9.258 -4.006 258 HB2 TYR 43 HB2 TYR 43 -0.727 6.792 1.959 259 HB3 TYR 43 HB1 TYR 43 -0.691 8.451 2.544 260 H PHE 44 HN PHE 44 1.219 5.217 2.997 261 HA PHE 44 HA PHE 44 0.759 5.596 5.733 262 HD1 PHE 44 HD1 PHE 44 -0.462 4.410 6.861 263 HD2 PHE 44 HD2 PHE 44 0.019 1.932 3.435 264 HE1 PHE 44 HE1 PHE 44 -2.798 3.666 7.076 265 HE2 PHE 44 HE2 PHE 44 -2.316 1.183 3.644 266 HZ PHE 44 HZ PHE 44 -3.727 2.051 5.466 267 HB2 PHE 44 HB2 PHE 44 1.734 3.334 4.051 268 HB3 PHE 44 HB1 PHE 44 1.932 3.213 5.796 269 H LEU 45 HN LEU 45 3.791 5.064 3.961 270 HA LEU 45 HA LEU 45 5.430 5.219 6.293 271 HG LEU 45 HG LEU 45 5.278 3.236 3.974 272 HB2 LEU 45 HB2 LEU 45 6.131 5.493 3.369 273 HB3 LEU 45 HB1 LEU 45 7.301 5.366 4.669 274 HD11 LEU 45 HD11 LEU 45 6.736 3.190 2.175 275 HD12 LEU 45 HD12 LEU 45 7.463 2.036 3.293 276 HD13 LEU 45 HD13 LEU 45 8.122 3.666 3.156 277 HD21 LEU 45 HD23 LEU 45 7.498 3.415 5.985 278 HD22 LEU 45 HD21 LEU 45 6.886 1.866 5.406 279 HD23 LEU 45 HD22 LEU 45 5.808 2.984 6.242 280 H HIS 46 HN HIS 46 4.238 7.518 3.947 281 HA HIS 46 HA HIS 46 5.997 9.641 4.445 282 HD1 HIS 46 HD1 HIS 46 5.976 11.677 2.216 283 HD2 HIS 46 HD2 HIS 46 2.588 12.361 4.522 284 HE1 HIS 46 HE1 HIS 46 5.750 14.178 2.354 285 HE2 HIS 46 HE2 HIS 46 3.743 14.568 3.826 286 HB2 HIS 46 HB2 HIS 46 4.423 9.589 2.548 287 HB3 HIS 46 HB1 HIS 46 3.075 9.773 3.667 288 H VAL 47 HN VAL 47 3.086 8.587 6.115 289 HA VAL 47 HA VAL 47 2.931 10.878 7.825 290 HB VAL 47 HB VAL 47 1.687 8.161 8.269 291 HG11 VAL 47 HG11 VAL 47 0.493 9.063 9.953 292 HG12 VAL 47 HG12 VAL 47 0.339 10.625 9.149 293 HG13 VAL 47 HG13 VAL 47 1.823 10.220 10.012 294 HG21 VAL 47 HG23 VAL 47 0.026 10.316 7.168 295 HG22 VAL 47 HG21 VAL 47 0.071 8.599 6.770 296 HG23 VAL 47 HG22 VAL 47 1.258 9.698 6.069 297 H VAL 48 HN VAL 48 4.124 7.557 8.199 298 HA VAL 48 HA VAL 48 4.849 7.790 10.919 299 HB VAL 48 HB VAL 48 6.106 5.962 8.869 300 HG11 VAL 48 HG11 VAL 48 6.120 6.107 11.840 301 HG12 VAL 48 HG12 VAL 48 7.416 5.681 10.723 302 HG13 VAL 48 HG13 VAL 48 6.138 4.518 11.075 303 HG21 VAL 48 HG23 VAL 48 3.442 6.071 9.390 304 HG22 VAL 48 HG21 VAL 48 3.982 4.904 10.597 305 HG23 VAL 48 HG22 VAL 48 4.305 4.618 8.887 306 H LYS 49 HN LYS 49 6.554 8.475 7.919 307 HA LYS 49 HA LYS 49 9.092 8.913 9.165 308 HB2 LYS 49 HB2 LYS 49 8.519 8.339 6.678 309 HB3 LYS 49 HB1 LYS 49 8.346 10.081 6.508 310 HG2 LYS 49 HG2 LYS 49 10.690 10.191 7.577 311 HG3 LYS 49 HG1 LYS 49 10.791 8.483 7.146 312 HD2 LYS 49 HD2 LYS 49 11.626 9.334 5.219 313 HD3 LYS 49 HD1 LYS 49 9.913 9.471 4.815 314 HE2 LYS 49 HE2 LYS 49 10.547 11.599 4.335 315 HE3 LYS 49 HE1 LYS 49 10.214 11.805 6.054 316 HZ1 LYS 49 HZ3 LYS 49 12.747 11.079 6.176 317 HZ2 LYS 49 HZ1 LYS 49 12.276 12.694 5.991 318 HZ3 LYS 49 HZ2 LYS 49 12.764 11.795 4.644 319 H TYR 50 HN TYR 50 6.393 10.948 8.178 320 HA TYR 50 HA TYR 50 7.770 13.397 8.827 321 HD1 TYR 50 HD1 TYR 50 7.107 12.051 6.155 322 HD2 TYR 50 HD2 TYR 50 5.623 15.943 7.023 323 HE1 TYR 50 HE1 TYR 50 7.975 12.857 4.000 324 HE2 TYR 50 HE2 TYR 50 6.485 16.759 4.870 325 HH TYR 50 HH TYR 50 8.648 15.672 3.223 326 HB2 TYR 50 HB2 TYR 50 5.031 12.683 7.860 327 HB3 TYR 50 HB1 TYR 50 5.298 14.272 8.568 328 H GLU 51 HN GLU 51 4.704 12.057 10.063 329 HA GLU 51 HA GLU 51 5.475 12.151 12.781 330 HB2 GLU 51 HB2 GLU 51 3.851 14.026 13.406 331 HB3 GLU 51 HB1 GLU 51 5.396 14.500 12.714 332 HG2 GLU 51 HG2 GLU 51 4.361 14.867 10.563 333 HG3 GLU 51 HG1 GLU 51 2.814 14.291 11.182 334 H ALA 52 HN ALA 52 4.475 10.221 13.063 335 HA ALA 52 HA ALA 52 1.846 9.670 12.077 336 HB1 ALA 52 HB3 ALA 52 2.956 7.701 12.234 337 HB2 ALA 52 HB1 ALA 52 2.222 7.694 13.838 338 HB3 ALA 52 HB2 ALA 52 3.895 8.215 13.636 339 H GLN 53 HN GLN 53 0.395 8.500 13.939 340 HA GLN 53 HA GLN 53 -0.612 10.676 15.483 341 HB2 GLN 53 HB2 GLN 53 -1.382 7.778 15.796 342 HB3 GLN 53 HB1 GLN 53 -2.355 9.199 16.149 343 HG2 GLN 53 HG2 GLN 53 -1.989 9.645 13.571 344 HG3 GLN 53 HG1 GLN 53 -1.763 7.897 13.553 345 HE21 GLN 53 HE21 GLN 53 -3.566 7.056 12.776 346 HE22 GLN 53 HE22 GLN 53 -5.167 7.428 13.308 347 H GLY 54 HN GLY 54 1.033 7.633 16.298 348 HA2 GLY 54 HA2 GLY 54 2.315 8.794 18.562 349 HA3 GLY 54 HA1 GLY 54 0.966 7.784 19.057 350 H ASP 55 HN ASP 55 2.636 6.526 20.150 351 HA ASP 55 HA ASP 55 4.653 5.155 18.711 352 HB2 ASP 55 HB2 ASP 55 3.463 4.954 21.436 353 HB3 ASP 55 HB1 ASP 55 4.390 3.578 20.844 354 H LYS 56 HN LYS 56 1.575 3.968 20.074 355 HA LYS 56 HA LYS 56 1.693 1.419 18.921 356 HB2 LYS 56 HB2 LYS 56 -0.449 3.110 20.105 357 HB3 LYS 56 HB1 LYS 56 -0.949 1.726 19.144 358 HG2 LYS 56 HG2 LYS 56 0.812 0.481 20.667 359 HG3 LYS 56 HG1 LYS 56 0.448 1.819 21.759 360 HD2 LYS 56 HD2 LYS 56 -1.715 1.149 22.078 361 HD3 LYS 56 HD1 LYS 56 -1.831 0.398 20.486 362 HE2 LYS 56 HE2 LYS 56 -0.029 -1.234 21.529 363 HE3 LYS 56 HE1 LYS 56 -0.765 -0.696 23.038 364 HZ1 LYS 56 HZ3 LYS 56 -2.103 -2.049 20.763 365 HZ2 LYS 56 HZ1 LYS 56 -2.947 -1.335 22.045 366 HZ3 LYS 56 HZ2 LYS 56 -1.903 -2.634 22.337 367 H ALA 57 HN ALA 57 0.610 4.489 17.651 368 HA ALA 57 HA ALA 57 -0.835 3.532 15.428 369 HB1 ALA 57 HB3 ALA 57 0.608 6.083 15.109 370 HB2 ALA 57 HB1 ALA 57 -0.464 5.970 16.505 371 HB3 ALA 57 HB2 ALA 57 -1.100 5.705 14.881 372 H LYS 58 HN LYS 58 2.561 4.498 15.796 373 HA LYS 58 HA LYS 58 3.331 4.163 13.125 374 HB2 LYS 58 HB2 LYS 58 4.970 3.824 15.643 375 HB3 LYS 58 HB1 LYS 58 5.634 3.964 14.020 376 HG2 LYS 58 HG2 LYS 58 5.169 6.199 13.871 377 HG3 LYS 58 HG1 LYS 58 3.822 6.106 15.007 378 HD2 LYS 58 HD2 LYS 58 5.540 5.626 16.802 379 HD3 LYS 58 HD1 LYS 58 6.770 6.070 15.617 380 HE2 LYS 58 HE2 LYS 58 4.476 7.897 16.246 381 HE3 LYS 58 HE1 LYS 58 5.929 7.877 17.244 382 HZ1 LYS 58 HZ3 LYS 58 5.544 8.888 14.548 383 HZ2 LYS 58 HZ1 LYS 58 7.005 8.079 14.825 384 HZ3 LYS 58 HZ2 LYS 58 6.589 9.421 15.766 385 H GLN 59 HN GLN 59 3.308 1.879 15.832 386 HA GLN 59 HA GLN 59 4.539 -0.269 14.509 387 HB2 GLN 59 HB2 GLN 59 2.800 0.023 16.911 388 HB3 GLN 59 HB1 GLN 59 3.021 -1.591 16.249 389 HG2 GLN 59 HG2 GLN 59 5.326 0.206 16.932 390 HG3 GLN 59 HG1 GLN 59 4.592 -0.894 18.098 391 HE21 GLN 59 HE21 GLN 59 6.054 -2.442 18.372 392 HE22 GLN 59 HE22 GLN 59 6.774 -3.376 17.109 393 H SER 60 HN SER 60 1.229 0.871 14.540 394 HA SER 60 HA SER 60 0.049 -1.430 13.381 395 HG SER 60 HG SER 60 -2.856 -0.133 14.058 396 HB2 SER 60 HB2 SER 60 -0.975 0.768 14.532 397 HB3 SER 60 HB1 SER 60 -1.152 1.235 12.840 398 H ILE 61 HN ILE 61 1.424 1.529 12.033 399 HA ILE 61 HA ILE 61 0.686 0.934 9.336 400 HB ILE 61 HB ILE 61 2.866 2.807 10.255 401 HG12 ILE 61 HG12 ILE 61 -0.057 3.431 9.787 402 HG13 ILE 61 HG11 ILE 61 0.682 3.257 11.376 403 HG21 ILE 61 HG21 ILE 61 2.363 3.974 8.145 404 HG22 ILE 61 HG22 ILE 61 1.212 2.701 7.736 405 HG23 ILE 61 HG23 ILE 61 2.929 2.324 7.885 406 HD11 ILE 61 HD13 ILE 61 2.042 5.180 11.028 407 HD12 ILE 61 HD11 ILE 61 0.381 5.604 10.617 408 HD13 ILE 61 HD12 ILE 61 1.552 5.286 9.338 409 H ARG 62 HN ARG 62 3.499 0.335 11.345 410 HA ARG 62 HA ARG 62 5.329 -0.376 9.348 411 HE ARG 62 HE ARG 62 7.550 1.619 14.092 412 HB2 ARG 62 HB2 ARG 62 5.052 -0.960 12.259 413 HB3 ARG 62 HB1 ARG 62 6.204 -1.909 11.329 414 HG2 ARG 62 HG2 ARG 62 7.340 0.128 10.631 415 HG3 ARG 62 HG1 ARG 62 6.170 1.096 11.532 416 HD2 ARG 62 HD2 ARG 62 6.952 -0.500 13.505 417 HD3 ARG 62 HD1 ARG 62 8.406 -0.593 12.513 418 HH11 ARG 62 HH11 ARG 62 9.254 0.768 11.168 419 HH12 ARG 62 HH12 ARG 62 10.206 2.215 11.153 420 HH21 ARG 62 HH21 ARG 62 8.800 3.523 14.074 421 HH22 ARG 62 HH22 ARG 62 9.948 3.779 12.802 422 H ALA 63 HN ALA 63 3.012 -2.357 11.164 423 HA ALA 63 HA ALA 63 3.736 -4.809 9.931 424 HB1 ALA 63 HB3 ALA 63 2.647 -5.243 11.877 425 HB2 ALA 63 HB1 ALA 63 1.273 -5.355 10.777 426 HB3 ALA 63 HB2 ALA 63 1.548 -3.876 11.697 427 H LYS 64 HN LYS 64 1.391 -2.303 9.183 428 HA LYS 64 HA LYS 64 0.040 -3.795 7.154 429 HB2 LYS 64 HB2 LYS 64 0.105 -0.840 7.777 430 HB3 LYS 64 HB1 LYS 64 -0.917 -1.556 6.539 431 HG2 LYS 64 HG2 LYS 64 -2.341 -2.483 8.048 432 HG3 LYS 64 HG1 LYS 64 -1.087 -2.683 9.274 433 HD2 LYS 64 HD2 LYS 64 -2.383 -0.988 10.171 434 HD3 LYS 64 HD1 LYS 64 -1.110 -0.086 9.347 435 HE2 LYS 64 HE2 LYS 64 -2.954 1.041 8.596 436 HE3 LYS 64 HE1 LYS 64 -2.801 -0.183 7.335 437 HZ1 LYS 64 HZ3 LYS 64 -4.635 -0.270 9.669 438 HZ2 LYS 64 HZ1 LYS 64 -4.439 -1.530 8.556 439 HZ3 LYS 64 HZ2 LYS 64 -5.072 -0.045 8.050 440 H CYS 65 HN CYS 65 2.570 -1.316 7.159 441 HA CYS 65 HA CYS 65 2.795 -0.990 4.387 442 HG CYS 65 HG CYS 65 2.910 1.345 5.136 443 HB2 CYS 65 HB2 CYS 65 4.543 -0.456 6.734 444 HB3 CYS 65 HB1 CYS 65 5.310 -0.476 5.149 445 H THR 66 HN THR 66 4.053 -3.438 6.537 446 HA THR 66 HA THR 66 5.802 -4.564 4.525 447 HB THR 66 HB THR 66 6.448 -4.632 6.892 448 HG1 THR 66 HG1 THR 66 5.909 -7.234 5.906 449 HG21 THR 66 HG23 THR 66 4.028 -6.382 7.223 450 HG22 THR 66 HG21 THR 66 4.376 -4.857 8.037 451 HG23 THR 66 HG22 THR 66 5.349 -6.285 8.387 452 H GLU 67 HN GLU 67 2.613 -5.132 5.835 453 HA GLU 67 HA GLU 67 2.254 -7.732 4.741 454 HB2 GLU 67 HB2 GLU 67 0.898 -6.896 6.608 455 HB3 GLU 67 HB1 GLU 67 0.197 -5.672 5.558 456 HG2 GLU 67 HG2 GLU 67 -1.153 -7.156 4.490 457 HG3 GLU 67 HG1 GLU 67 -0.041 -8.504 4.720 458 H TYR 68 HN TYR 68 1.235 -4.495 3.680 459 HA TYR 68 HA TYR 68 -0.008 -5.397 1.293 460 HD1 TYR 68 HD1 TYR 68 -1.998 -4.782 1.796 461 HD2 TYR 68 HD2 TYR 68 -0.120 -1.371 3.511 462 HE1 TYR 68 HE1 TYR 68 -3.946 -4.453 3.260 463 HE2 TYR 68 HE2 TYR 68 -2.062 -1.033 4.980 464 HH TYR 68 HH TYR 68 -3.911 -2.313 5.914 465 HB2 TYR 68 HB2 TYR 68 1.065 -2.655 1.993 466 HB3 TYR 68 HB1 TYR 68 -0.010 -3.018 0.647 467 H LEU 69 HN LEU 69 3.200 -4.086 2.019 468 HA LEU 69 HA LEU 69 4.155 -3.929 -0.609 469 HG LEU 69 HG LEU 69 4.740 -1.919 1.171 470 HB2 LEU 69 HB2 LEU 69 5.427 -4.149 2.080 471 HB3 LEU 69 HB1 LEU 69 6.431 -4.366 0.659 472 HD11 LEU 69 HD11 LEU 69 7.249 -1.029 1.399 473 HD12 LEU 69 HD12 LEU 69 7.466 -2.658 2.039 474 HD13 LEU 69 HD13 LEU 69 6.292 -1.569 2.779 475 HD21 LEU 69 HD23 LEU 69 6.130 -0.938 -0.602 476 HD22 LEU 69 HD21 LEU 69 5.190 -2.313 -1.180 477 HD23 LEU 69 HD22 LEU 69 6.911 -2.501 -0.841 478 H ASP 70 HN ASP 70 3.885 -6.623 1.602 479 HA ASP 70 HA ASP 70 5.589 -8.411 0.216 480 HB2 ASP 70 HB2 ASP 70 4.625 -8.578 2.618 481 HB3 ASP 70 HB1 ASP 70 3.223 -9.306 1.840 482 H ARG 71 HN ARG 71 2.052 -8.013 0.207 483 HA ARG 71 HA ARG 71 1.544 -10.000 -1.727 484 HE ARG 71 HE ARG 71 -3.260 -9.780 -1.918 485 HB2 ARG 71 HB2 ARG 71 0.009 -7.721 -0.571 486 HB3 ARG 71 HB1 ARG 71 -0.598 -8.466 -2.044 487 HG2 ARG 71 HG2 ARG 71 0.146 -10.310 0.127 488 HG3 ARG 71 HG1 ARG 71 -1.257 -9.286 0.421 489 HD2 ARG 71 HD2 ARG 71 -1.138 -10.580 -2.225 490 HD3 ARG 71 HD1 ARG 71 -1.371 -11.660 -0.850 491 HH11 ARG 71 HH11 ARG 71 -2.301 -11.560 0.924 492 HH12 ARG 71 HH12 ARG 71 -3.877 -11.510 1.640 493 HH21 ARG 71 HH21 ARG 71 -5.334 -9.713 -0.979 494 HH22 ARG 71 HH22 ARG 71 -5.599 -10.460 0.560 495 H ALA 72 HN ALA 72 1.774 -6.461 -2.024 496 HA ALA 72 HA ALA 72 1.366 -6.318 -4.789 497 HB1 ALA 72 HB3 ALA 72 2.713 -4.130 -4.535 498 HB2 ALA 72 HB1 ALA 72 2.708 -4.512 -2.813 499 HB3 ALA 72 HB2 ALA 72 1.183 -4.290 -3.672 500 H GLU 73 HN GLU 73 4.300 -6.823 -2.901 501 HA GLU 73 HA GLU 73 6.173 -6.528 -4.964 502 HB2 GLU 73 HB2 GLU 73 6.145 -7.893 -2.314 503 HB3 GLU 73 HB1 GLU 73 7.448 -8.284 -3.428 504 HG2 GLU 73 HG2 GLU 73 6.951 -5.419 -3.130 505 HG3 GLU 73 HG1 GLU 73 7.462 -6.228 -1.649 506 H LYS 74 HN LYS 74 4.536 -9.443 -3.751 507 HA LYS 74 HA LYS 74 5.734 -11.160 -5.680 508 HB2 LYS 74 HB2 LYS 74 4.533 -11.640 -3.345 509 HB3 LYS 74 HB1 LYS 74 3.149 -11.890 -4.399 510 HG2 LYS 74 HG2 LYS 74 4.969 -13.370 -5.694 511 HG3 LYS 74 HG1 LYS 74 5.592 -13.510 -4.048 512 HD2 LYS 74 HD2 LYS 74 4.125 -15.210 -3.899 513 HD3 LYS 74 HD1 LYS 74 2.953 -13.920 -3.618 514 HE2 LYS 74 HE2 LYS 74 1.938 -15.170 -5.282 515 HE3 LYS 74 HE1 LYS 74 2.732 -13.890 -6.195 516 HZ1 LYS 74 HZ3 LYS 74 3.474 -15.640 -7.379 517 HZ2 LYS 74 HZ1 LYS 74 3.316 -16.740 -6.101 518 HZ3 LYS 74 HZ2 LYS 74 4.656 -15.710 -6.171 519 H LEU 75 HN LEU 75 2.745 -9.337 -5.507 520 HA LEU 75 HA LEU 75 1.355 -10.520 -7.616 521 HG LEU 75 HG LEU 75 -0.760 -9.906 -7.511 522 HB2 LEU 75 HB2 LEU 75 1.128 -8.164 -6.000 523 HB3 LEU 75 HB1 LEU 75 0.791 -7.757 -7.672 524 HD11 LEU 75 HD11 LEU 75 -1.785 -10.140 -5.351 525 HD12 LEU 75 HD12 LEU 75 -0.769 -8.871 -4.681 526 HD13 LEU 75 HD13 LEU 75 -0.046 -10.390 -5.192 527 HD21 LEU 75 HD23 LEU 75 -2.593 -8.311 -6.709 528 HD22 LEU 75 HD21 LEU 75 -1.698 -7.865 -8.161 529 HD23 LEU 75 HD22 LEU 75 -1.318 -7.096 -6.620 530 H LYS 76 HN LYS 76 3.490 -7.676 -7.665 531 HA LYS 76 HA LYS 76 3.370 -7.328 -10.470 532 HB2 LYS 76 HB2 LYS 76 5.280 -5.812 -10.160 533 HB3 LYS 76 HB1 LYS 76 4.008 -5.503 -8.990 534 HG2 LYS 76 HG2 LYS 76 5.333 -6.949 -7.385 535 HG3 LYS 76 HG1 LYS 76 6.654 -6.850 -8.551 536 HD2 LYS 76 HD2 LYS 76 5.399 -4.284 -7.832 537 HD3 LYS 76 HD1 LYS 76 6.278 -5.091 -6.531 538 HE2 LYS 76 HE2 LYS 76 7.618 -4.966 -9.164 539 HE3 LYS 76 HE1 LYS 76 7.444 -3.442 -8.294 540 HZ1 LYS 76 HZ3 LYS 76 8.958 -5.847 -7.538 541 HZ2 LYS 76 HZ1 LYS 76 8.381 -4.815 -6.327 542 HZ3 LYS 76 HZ2 LYS 76 9.439 -4.226 -7.508 543 H GLU 77 HN GLU 77 5.306 -9.321 -8.387 544 HA GLU 77 HA GLU 77 7.521 -9.834 -9.968 545 HB2 GLU 77 HB2 GLU 77 6.726 -10.700 -7.569 546 HB3 GLU 77 HB1 GLU 77 6.313 -12.120 -8.517 547 HG2 GLU 77 HG2 GLU 77 8.417 -12.750 -8.142 548 HG3 GLU 77 HG1 GLU 77 8.828 -11.590 -9.404 549 H TYR 78 HN TYR 78 4.516 -11.760 -9.841 550 HA TYR 78 HA TYR 78 5.231 -13.390 -12.040 551 HD1 TYR 78 HD2 TYR 78 1.553 -12.860 -13.190 552 HD2 TYR 78 HD1 TYR 78 2.087 -12.450 -8.996 553 HE1 TYR 78 HE2 TYR 78 -0.556 -11.610 -13.050 554 HE2 TYR 78 HE1 TYR 78 -0.024 -11.200 -8.844 555 HH TYR 78 HH TYR 78 -1.444 -9.714 -11.090 556 HB2 TYR 78 HB2 TYR 78 3.100 -14.370 -11.840 557 HB3 TYR 78 HB1 TYR 78 3.509 -13.880 -10.200 558 H LEU 79 HN LEU 79 3.422 -10.390 -11.740 559 HA LEU 79 HA LEU 79 2.333 -10.320 -14.330 560 HG LEU 79 HG LEU 79 1.063 -9.565 -11.820 561 HB2 LEU 79 HB2 LEU 79 3.046 -8.166 -12.370 562 HB3 LEU 79 HB1 LEU 79 2.324 -7.805 -13.920 563 HD11 LEU 79 HD11 LEU 79 1.369 -6.897 -11.590 564 HD12 LEU 79 HD12 LEU 79 -0.010 -7.792 -10.950 565 HD13 LEU 79 HD13 LEU 79 -0.137 -6.969 -12.510 566 HD21 LEU 79 HD23 LEU 79 -0.948 -9.330 -13.210 567 HD22 LEU 79 HD21 LEU 79 0.362 -10.120 -14.080 568 HD23 LEU 79 HD22 LEU 79 -0.015 -8.426 -14.400 569 H LYS 80 HN LYS 80 5.484 -9.460 -13.080 570 HA LYS 80 HA LYS 80 6.306 -8.229 -15.580 571 HB2 LYS 80 HB2 LYS 80 7.450 -8.533 -12.860 572 HB3 LYS 80 HB1 LYS 80 8.603 -8.432 -14.180 573 HG2 LYS 80 HG2 LYS 80 7.832 -6.292 -14.820 574 HG3 LYS 80 HG1 LYS 80 6.407 -6.422 -13.790 575 HD2 LYS 80 HD2 LYS 80 7.691 -5.153 -12.410 576 HD3 LYS 80 HD1 LYS 80 8.299 -6.739 -11.930 577 HE2 LYS 80 HE2 LYS 80 10.193 -6.515 -13.390 578 HE3 LYS 80 HE1 LYS 80 9.548 -5.018 -14.060 579 HZ1 LYS 80 HZ3 LYS 80 10.800 -5.494 -11.450 580 HZ2 LYS 80 HZ1 LYS 80 9.648 -4.262 -11.590 581 HZ3 LYS 80 HZ2 LYS 80 11.043 -4.227 -12.550 582 H ASN 81 HN ASN 81 6.646 -11.270 -13.900 583 HA ASN 81 HA ASN 81 8.729 -12.290 -15.580 584 HB2 ASN 81 HB2 ASN 81 6.932 -13.440 -13.480 585 HB3 ASN 81 HB1 ASN 81 7.817 -14.530 -14.540 586 HD21 ASN 81 HD21 ASN 81 10.162 -14.220 -14.660 587 HD22 ASN 81 HD22 ASN 81 10.998 -13.720 -13.230 Start of MODEL 20 1 H ASN 10 HN ASN 10 -3.382 13.247 4.499 2 HA ASN 10 HA ASN 10 -2.786 11.863 1.985 3 HB2 ASN 10 HB2 ASN 10 -1.092 12.307 4.453 4 HB3 ASN 10 HB1 ASN 10 -0.565 11.425 3.022 5 HD21 ASN 10 HD21 ASN 10 -0.767 14.419 4.518 6 HD22 ASN 10 HD22 ASN 10 -0.308 15.407 3.178 7 H LEU 11 HN LEU 11 -3.613 11.307 5.334 8 HA LEU 11 HA LEU 11 -3.067 8.505 5.323 9 HG LEU 11 HG LEU 11 -4.658 7.382 7.248 10 HB2 LEU 11 HB2 LEU 11 -3.210 10.001 7.356 11 HB3 LEU 11 HB1 LEU 11 -4.952 9.983 7.153 12 HD11 LEU 11 HD11 LEU 11 -2.059 8.430 8.260 13 HD12 LEU 11 HD12 LEU 11 -2.400 6.989 7.301 14 HD13 LEU 11 HD13 LEU 11 -2.770 7.009 9.025 15 HD21 LEU 11 HD23 LEU 11 -4.713 7.573 9.799 16 HD22 LEU 11 HD21 LEU 11 -5.961 8.423 8.887 17 HD23 LEU 11 HD22 LEU 11 -4.587 9.314 9.543 18 H GLN 12 HN GLN 12 -5.914 10.490 4.718 19 HA GLN 12 HA GLN 12 -7.839 8.457 4.669 20 HB2 GLN 12 HB2 GLN 12 -8.266 10.940 4.664 21 HB3 GLN 12 HB1 GLN 12 -7.849 10.944 2.956 22 HG2 GLN 12 HG2 GLN 12 -9.684 9.143 2.740 23 HG3 GLN 12 HG1 GLN 12 -10.210 9.730 4.315 24 HE21 GLN 12 HE21 GLN 12 -11.790 9.869 2.033 25 HE22 GLN 12 HE22 GLN 12 -12.020 11.529 1.611 26 H LYS 13 HN LYS 13 -5.553 9.548 2.249 27 HA LYS 13 HA LYS 13 -6.721 8.077 0.090 28 HB2 LYS 13 HB2 LYS 13 -5.337 10.070 -0.299 29 HB3 LYS 13 HB1 LYS 13 -3.944 9.238 0.378 30 HG2 LYS 13 HG2 LYS 13 -3.575 8.968 -1.863 31 HG3 LYS 13 HG1 LYS 13 -4.452 7.484 -1.489 32 HD2 LYS 13 HD2 LYS 13 -6.260 8.098 -2.693 33 HD3 LYS 13 HD1 LYS 13 -6.128 9.792 -2.218 34 HE2 LYS 13 HE2 LYS 13 -3.961 9.628 -3.763 35 HE3 LYS 13 HE1 LYS 13 -4.922 8.354 -4.514 36 HZ1 LYS 13 HZ3 LYS 13 -5.607 10.176 -5.684 37 HZ2 LYS 13 HZ1 LYS 13 -5.442 11.239 -4.377 38 HZ3 LYS 13 HZ2 LYS 13 -6.761 10.182 -4.448 39 H ALA 14 HN ALA 14 -4.091 7.519 2.377 40 HA ALA 14 HA ALA 14 -3.042 5.188 1.233 41 HB1 ALA 14 HB3 ALA 14 -2.030 6.572 3.082 42 HB2 ALA 14 HB1 ALA 14 -1.933 4.824 3.295 43 HB3 ALA 14 HB2 ALA 14 -3.136 5.756 4.186 44 H ILE 15 HN ILE 15 -5.711 5.671 3.492 45 HA ILE 15 HA ILE 15 -6.157 2.862 3.891 46 HB ILE 15 HB ILE 15 -8.077 5.112 4.484 47 HG12 ILE 15 HG12 ILE 15 -6.087 3.927 6.417 48 HG13 ILE 15 HG11 ILE 15 -5.728 5.366 5.468 49 HG21 ILE 15 HG21 ILE 15 -9.312 3.628 5.654 50 HG22 ILE 15 HG22 ILE 15 -7.905 2.706 6.181 51 HG23 ILE 15 HG23 ILE 15 -8.557 2.470 4.559 52 HD11 ILE 15 HD13 ILE 15 -7.372 6.625 6.556 53 HD12 ILE 15 HD11 ILE 15 -6.575 5.707 7.833 54 HD13 ILE 15 HD12 ILE 15 -8.148 5.190 7.226 55 H ASP 16 HN ASP 16 -7.504 5.386 1.843 56 HA ASP 16 HA ASP 16 -9.757 4.015 0.902 57 HB2 ASP 16 HB2 ASP 16 -9.034 6.492 0.574 58 HB3 ASP 16 HB1 ASP 16 -8.186 5.887 -0.845 59 H LEU 17 HN LEU 17 -6.408 4.029 -0.216 60 HA LEU 17 HA LEU 17 -6.917 2.406 -2.513 61 HG LEU 17 HG LEU 17 -5.662 4.944 -2.110 62 HB2 LEU 17 HB2 LEU 17 -4.301 2.897 -1.089 63 HB3 LEU 17 HB1 LEU 17 -4.498 2.272 -2.715 64 HD11 LEU 17 HD11 LEU 17 -3.626 5.442 -1.156 65 HD12 LEU 17 HD12 LEU 17 -3.327 5.826 -2.851 66 HD13 LEU 17 HD13 LEU 17 -2.748 4.303 -2.176 67 HD21 LEU 17 HD23 LEU 17 -4.058 4.309 -4.519 68 HD22 LEU 17 HD21 LEU 17 -5.542 5.248 -4.357 69 HD23 LEU 17 HD22 LEU 17 -5.606 3.486 -4.335 70 H ALA 18 HN ALA 18 -5.828 1.805 0.785 71 HA ALA 18 HA ALA 18 -5.074 -0.876 0.496 72 HB1 ALA 18 HB3 ALA 18 -4.396 0.062 2.493 73 HB2 ALA 18 HB1 ALA 18 -5.746 -0.950 3.008 74 HB3 ALA 18 HB2 ALA 18 -5.972 0.788 2.808 75 H SER 19 HN SER 19 -8.218 0.601 1.101 76 HA SER 19 HA SER 19 -9.574 -1.879 1.537 77 HG SER 19 HG SER 19 -11.290 -0.860 3.110 78 HB2 SER 19 HB2 SER 19 -10.410 0.970 1.157 79 HB3 SER 19 HB1 SER 19 -11.620 -0.308 1.023 80 H LYS 20 HN LYS 20 -9.380 0.388 -1.195 81 HA LYS 20 HA LYS 20 -11.020 -1.113 -2.934 82 HB2 LYS 20 HB2 LYS 20 -9.074 1.124 -3.253 83 HB3 LYS 20 HB1 LYS 20 -9.581 0.253 -4.694 84 HG2 LYS 20 HG2 LYS 20 -11.670 1.090 -4.633 85 HG3 LYS 20 HG1 LYS 20 -11.720 1.140 -2.870 86 HD2 LYS 20 HD2 LYS 20 -11.660 3.386 -3.400 87 HD3 LYS 20 HD1 LYS 20 -9.955 3.032 -3.153 88 HE2 LYS 20 HE2 LYS 20 -9.622 2.816 -5.542 89 HE3 LYS 20 HE1 LYS 20 -11.340 3.049 -5.829 90 HZ1 LYS 20 HZ3 LYS 20 -10.680 5.165 -6.142 91 HZ2 LYS 20 HZ1 LYS 20 -9.289 5.004 -5.201 92 HZ3 LYS 20 HZ2 LYS 20 -10.780 5.249 -4.456 93 H ALA 21 HN ALA 21 -7.501 -0.964 -2.527 94 HA ALA 21 HA ALA 21 -6.803 -2.687 -4.618 95 HB1 ALA 21 HB3 ALA 21 -5.310 -2.429 -2.016 96 HB2 ALA 21 HB1 ALA 21 -5.254 -1.216 -3.295 97 HB3 ALA 21 HB2 ALA 21 -4.660 -2.848 -3.601 98 H ALA 22 HN ALA 22 -7.430 -3.383 -1.189 99 HA ALA 22 HA ALA 22 -6.907 -6.131 -1.271 100 HB1 ALA 22 HB3 ALA 22 -7.284 -4.606 0.757 101 HB2 ALA 22 HB1 ALA 22 -7.888 -6.261 0.844 102 HB3 ALA 22 HB2 ALA 22 -9.000 -4.932 0.513 103 H GLN 23 HN GLN 23 -9.758 -4.291 -2.140 104 HA GLN 23 HA GLN 23 -11.450 -6.604 -2.394 105 HB2 GLN 23 HB2 GLN 23 -11.730 -3.679 -2.897 106 HB3 GLN 23 HB1 GLN 23 -12.840 -4.767 -3.710 107 HG2 GLN 23 HG2 GLN 23 -13.140 -5.754 -1.301 108 HG3 GLN 23 HG1 GLN 23 -12.540 -4.170 -0.812 109 HE21 GLN 23 HE21 GLN 23 -14.410 -3.398 0.049 110 HE22 GLN 23 HE22 GLN 23 -15.840 -3.086 -0.870 111 H GLU 24 HN GLU 24 -9.423 -4.678 -4.493 112 HA GLU 24 HA GLU 24 -10.420 -5.622 -6.963 113 HB2 GLU 24 HB2 GLU 24 -7.751 -4.459 -6.185 114 HB3 GLU 24 HB1 GLU 24 -8.178 -4.861 -7.842 115 HG2 GLU 24 HG2 GLU 24 -9.975 -3.082 -6.271 116 HG3 GLU 24 HG1 GLU 24 -8.475 -2.433 -6.932 117 H ASP 25 HN ASP 25 -7.555 -6.583 -5.081 118 HA ASP 25 HA ASP 25 -6.758 -8.680 -6.762 119 HB2 ASP 25 HB2 ASP 25 -5.321 -7.690 -5.008 120 HB3 ASP 25 HB1 ASP 25 -6.339 -8.429 -3.775 121 H LYS 26 HN LYS 26 -8.838 -8.676 -3.888 122 HA LYS 26 HA LYS 26 -9.276 -11.460 -3.827 123 HB2 LYS 26 HB2 LYS 26 -9.803 -9.514 -2.093 124 HB3 LYS 26 HB1 LYS 26 -11.380 -9.612 -2.845 125 HG2 LYS 26 HG2 LYS 26 -11.670 -11.850 -2.174 126 HG3 LYS 26 HG1 LYS 26 -9.979 -12.010 -1.727 127 HD2 LYS 26 HD2 LYS 26 -10.230 -10.760 0.211 128 HD3 LYS 26 HD1 LYS 26 -11.700 -9.973 -0.378 129 HE2 LYS 26 HE2 LYS 26 -12.990 -11.940 -0.063 130 HE3 LYS 26 HE1 LYS 26 -11.550 -12.910 0.252 131 HZ1 LYS 26 HZ3 LYS 26 -12.580 -12.450 2.322 132 HZ2 LYS 26 HZ1 LYS 26 -12.710 -10.790 1.979 133 HZ3 LYS 26 HZ2 LYS 26 -11.190 -11.490 2.247 134 H ALA 27 HN ALA 27 -10.790 -8.850 -5.577 135 HA ALA 27 HA ALA 27 -13.080 -10.350 -6.413 136 HB1 ALA 27 HB3 ALA 27 -13.300 -8.439 -8.078 137 HB2 ALA 27 HB1 ALA 27 -11.890 -7.733 -7.286 138 HB3 ALA 27 HB2 ALA 27 -13.370 -8.021 -6.366 139 H GLY 28 HN GLY 28 -10.000 -9.440 -7.926 140 HA2 GLY 28 HA2 GLY 28 -9.465 -11.690 -9.316 141 HA3 GLY 28 HA1 GLY 28 -10.620 -10.880 -10.350 142 H ASN 29 HN ASN 29 -9.666 -8.213 -9.558 143 HA ASN 29 HA ASN 29 -7.619 -7.958 -11.530 144 HB2 ASN 29 HB2 ASN 29 -8.702 -5.906 -9.596 145 HB3 ASN 29 HB1 ASN 29 -7.695 -5.560 -10.990 146 HD21 ASN 29 HD21 ASN 29 -9.900 -4.211 -10.990 147 HD22 ASN 29 HD22 ASN 29 -11.090 -4.859 -12.060 148 H TYR 30 HN TYR 30 -5.561 -8.437 -11.180 149 HA TYR 30 HA TYR 30 -4.467 -8.141 -8.479 150 HD1 TYR 30 HD1 TYR 30 -6.147 -10.160 -9.253 151 HD2 TYR 30 HD2 TYR 30 -2.168 -11.470 -8.512 152 HE1 TYR 30 HE1 TYR 30 -7.018 -12.020 -7.895 153 HE2 TYR 30 HE2 TYR 30 -3.027 -13.330 -7.153 154 HH TYR 30 HH TYR 30 -5.419 -13.640 -5.751 155 HB2 TYR 30 HB2 TYR 30 -3.702 -9.806 -10.850 156 HB3 TYR 30 HB1 TYR 30 -2.508 -9.450 -9.610 157 H GLU 31 HN GLU 31 -3.863 -7.257 -11.840 158 HA GLU 31 HA GLU 31 -1.449 -5.883 -11.450 159 HB2 GLU 31 HB2 GLU 31 -3.592 -5.786 -13.540 160 HB3 GLU 31 HB1 GLU 31 -2.302 -4.592 -13.570 161 HG2 GLU 31 HG2 GLU 31 -1.221 -6.083 -14.820 162 HG3 GLU 31 HG1 GLU 31 -0.895 -6.900 -13.290 163 H GLU 32 HN GLU 32 -4.771 -4.609 -11.670 164 HA GLU 32 HA GLU 32 -4.115 -1.939 -11.110 165 HB2 GLU 32 HB2 GLU 32 -6.304 -2.879 -12.040 166 HB3 GLU 32 HB1 GLU 32 -6.729 -3.240 -10.370 167 HG2 GLU 32 HG2 GLU 32 -7.659 -1.209 -10.410 168 HG3 GLU 32 HG1 GLU 32 -6.010 -0.644 -10.150 169 H ALA 33 HN ALA 33 -4.989 -4.624 -8.997 170 HA ALA 33 HA ALA 33 -5.179 -3.144 -6.607 171 HB1 ALA 33 HB3 ALA 33 -4.952 -5.305 -5.473 172 HB2 ALA 33 HB1 ALA 33 -4.465 -6.049 -6.996 173 HB3 ALA 33 HB2 ALA 33 -6.091 -5.391 -6.817 174 H LEU 34 HN LEU 34 -2.462 -4.648 -8.260 175 HA LEU 34 HA LEU 34 -0.566 -4.486 -6.206 176 HG LEU 34 HG LEU 34 1.854 -3.557 -8.070 177 HB2 LEU 34 HB2 LEU 34 -0.184 -5.782 -8.224 178 HB3 LEU 34 HB1 LEU 34 -0.197 -4.323 -9.196 179 HD11 LEU 34 HD11 LEU 34 1.618 -4.609 -5.927 180 HD12 LEU 34 HD12 LEU 34 3.105 -5.186 -6.678 181 HD13 LEU 34 HD13 LEU 34 1.671 -6.212 -6.659 182 HD21 LEU 34 HD23 LEU 34 2.435 -6.331 -8.999 183 HD22 LEU 34 HD21 LEU 34 3.277 -4.823 -9.357 184 HD23 LEU 34 HD22 LEU 34 1.727 -5.170 -10.120 185 H GLN 35 HN GLN 35 -1.318 -2.187 -8.813 186 HA GLN 35 HA GLN 35 0.585 -0.248 -8.100 187 HB2 GLN 35 HB2 GLN 35 -1.898 -0.279 -9.745 188 HB3 GLN 35 HB1 GLN 35 -1.252 1.286 -9.271 189 HG2 GLN 35 HG2 GLN 35 0.983 0.029 -10.170 190 HG3 GLN 35 HG1 GLN 35 -0.258 -0.652 -11.220 191 HE21 GLN 35 HE21 GLN 35 1.702 2.031 -10.550 192 HE22 GLN 35 HE22 GLN 35 1.064 3.101 -11.740 193 H LEU 36 HN LEU 36 -2.655 -0.890 -6.938 194 HA LEU 36 HA LEU 36 -2.920 1.566 -5.494 195 HG LEU 36 HG LEU 36 -4.583 0.310 -7.440 196 HB2 LEU 36 HB2 LEU 36 -4.420 -1.036 -5.182 197 HB3 LEU 36 HB1 LEU 36 -4.884 0.499 -4.474 198 HD11 LEU 36 HD11 LEU 36 -6.677 -0.993 -5.788 199 HD12 LEU 36 HD12 LEU 36 -5.996 -1.473 -7.343 200 HD13 LEU 36 HD13 LEU 36 -7.177 -0.165 -7.263 201 HD21 LEU 36 HD23 LEU 36 -6.221 2.052 -7.433 202 HD22 LEU 36 HD21 LEU 36 -4.977 2.467 -6.253 203 HD23 LEU 36 HD22 LEU 36 -6.528 1.826 -5.711 204 H TYR 37 HN TYR 37 -1.918 -1.723 -4.698 205 HA TYR 37 HA TYR 37 -1.790 -1.448 -1.914 206 HD1 TYR 37 HD1 TYR 37 -2.869 -2.982 -1.189 207 HD2 TYR 37 HD2 TYR 37 -1.294 -5.177 -4.476 208 HE1 TYR 37 HE1 TYR 37 -4.815 -4.483 -1.112 209 HE2 TYR 37 HE2 TYR 37 -3.236 -6.683 -4.408 210 HH TYR 37 HH TYR 37 -5.871 -6.244 -3.376 211 HB2 TYR 37 HB2 TYR 37 -0.245 -3.203 -3.825 212 HB3 TYR 37 HB1 TYR 37 -0.085 -3.323 -2.076 213 H GLN 38 HN GLN 38 0.488 -0.584 -4.445 214 HA GLN 38 HA GLN 38 2.672 -0.025 -2.706 215 HB2 GLN 38 HB2 GLN 38 2.075 0.809 -5.545 216 HB3 GLN 38 HB1 GLN 38 3.569 1.221 -4.714 217 HG2 GLN 38 HG2 GLN 38 3.727 -1.345 -4.309 218 HG3 GLN 38 HG1 GLN 38 2.598 -1.433 -5.660 219 HE21 GLN 38 HE21 GLN 38 4.021 -2.383 -7.065 220 HE22 GLN 38 HE22 GLN 38 5.398 -1.567 -7.714 221 H HIS 39 HN HIS 39 0.194 1.986 -4.254 222 HA HIS 39 HA HIS 39 1.129 4.474 -3.372 223 HD1 HIS 39 HD1 HIS 39 -2.287 5.643 -6.085 224 HD2 HIS 39 HD2 HIS 39 1.692 4.562 -5.568 225 HE1 HIS 39 HE1 HIS 39 -1.087 6.502 -8.121 226 HE2 HIS 39 HE2 HIS 39 1.303 5.761 -7.827 227 HB2 HIS 39 HB2 HIS 39 -1.504 3.422 -4.306 228 HB3 HIS 39 HB1 HIS 39 -1.463 5.007 -3.539 229 H ALA 40 HN ALA 40 -1.077 2.157 -1.864 230 HA ALA 40 HA ALA 40 -1.877 3.721 0.314 231 HB1 ALA 40 HB3 ALA 40 -2.523 1.638 1.375 232 HB2 ALA 40 HB1 ALA 40 -1.539 0.725 0.232 233 HB3 ALA 40 HB2 ALA 40 -2.956 1.608 -0.334 234 H VAL 41 HN VAL 41 0.873 1.512 -0.052 235 HA VAL 41 HA VAL 41 1.816 1.792 2.608 236 HB VAL 41 HB VAL 41 3.443 1.044 0.176 237 HG11 VAL 41 HG11 VAL 41 4.341 1.554 2.671 238 HG12 VAL 41 HG12 VAL 41 5.096 0.405 1.566 239 HG13 VAL 41 HG13 VAL 41 3.978 -0.167 2.804 240 HG21 VAL 41 HG23 VAL 41 2.416 -1.096 1.902 241 HG22 VAL 41 HG21 VAL 41 2.545 -1.016 0.145 242 HG23 VAL 41 HG22 VAL 41 1.185 -0.249 0.965 243 H GLN 42 HN GLN 42 2.382 3.563 -0.365 244 HA GLN 42 HA GLN 42 4.640 5.028 0.505 245 HB2 GLN 42 HB2 GLN 42 2.640 5.323 -1.695 246 HB3 GLN 42 HB1 GLN 42 3.697 6.679 -1.326 247 HG2 GLN 42 HG2 GLN 42 5.054 4.093 -1.587 248 HG3 GLN 42 HG1 GLN 42 4.285 4.686 -3.058 249 HE21 GLN 42 HE21 GLN 42 7.148 4.427 -2.015 250 HE22 GLN 42 HE22 GLN 42 7.849 5.964 -2.375 251 H TYR 43 HN TYR 43 1.171 5.794 0.465 252 HA TYR 43 HA TYR 43 1.483 8.362 1.647 253 HD1 TYR 43 HD1 TYR 43 0.244 9.942 0.335 254 HD2 TYR 43 HD2 TYR 43 -1.514 6.235 -0.791 255 HE1 TYR 43 HE1 TYR 43 0.001 10.764 -1.970 256 HE2 TYR 43 HE2 TYR 43 -1.762 7.046 -3.099 257 HH TYR 43 HH TYR 43 -1.965 9.459 -4.190 258 HB2 TYR 43 HB2 TYR 43 -0.931 6.556 1.411 259 HB3 TYR 43 HB1 TYR 43 -0.990 8.212 2.005 260 H PHE 44 HN PHE 44 0.839 5.138 2.908 261 HA PHE 44 HA PHE 44 0.199 5.880 5.545 262 HD1 PHE 44 HD1 PHE 44 -1.227 4.964 6.617 263 HD2 PHE 44 HD2 PHE 44 -0.604 1.969 3.659 264 HE1 PHE 44 HE1 PHE 44 -3.620 4.397 6.693 265 HE2 PHE 44 HE2 PHE 44 -2.996 1.397 3.728 266 HZ PHE 44 HZ PHE 44 -4.508 2.612 5.246 267 HB2 PHE 44 HB2 PHE 44 1.136 3.370 4.224 268 HB3 PHE 44 HB1 PHE 44 1.170 3.458 5.982 269 H LEU 45 HN LEU 45 3.283 4.698 4.197 270 HA LEU 45 HA LEU 45 4.792 5.055 6.535 271 HG LEU 45 HG LEU 45 4.673 2.933 4.319 272 HB2 LEU 45 HB2 LEU 45 5.669 5.096 3.647 273 HB3 LEU 45 HB1 LEU 45 6.759 5.002 5.016 274 HD11 LEU 45 HD11 LEU 45 6.872 3.327 2.884 275 HD12 LEU 45 HD12 LEU 45 6.255 1.713 3.240 276 HD13 LEU 45 HD13 LEU 45 7.581 2.380 4.192 277 HD21 LEU 45 HD23 LEU 45 6.631 3.233 6.554 278 HD22 LEU 45 HD21 LEU 45 6.204 1.623 5.972 279 HD23 LEU 45 HD22 LEU 45 4.951 2.696 6.595 280 H HIS 46 HN HIS 46 3.890 7.267 3.982 281 HA HIS 46 HA HIS 46 5.744 9.313 4.510 282 HD1 HIS 46 HD1 HIS 46 5.863 11.167 1.830 283 HD2 HIS 46 HD2 HIS 46 2.759 12.233 4.378 284 HE1 HIS 46 HE1 HIS 46 5.853 13.681 1.861 285 HE2 HIS 46 HE2 HIS 46 3.911 14.303 3.341 286 HB2 HIS 46 HB2 HIS 46 4.366 9.213 2.465 287 HB3 HIS 46 HB1 HIS 46 2.930 9.560 3.424 288 H VAL 47 HN VAL 47 2.641 8.516 5.948 289 HA VAL 47 HA VAL 47 2.436 10.931 7.473 290 HB VAL 47 HB VAL 47 1.016 8.313 7.971 291 HG11 VAL 47 HG11 VAL 47 -0.282 10.891 8.546 292 HG12 VAL 47 HG12 VAL 47 1.089 10.483 9.577 293 HG13 VAL 47 HG13 VAL 47 -0.287 9.385 9.464 294 HG21 VAL 47 HG23 VAL 47 -0.417 10.456 6.568 295 HG22 VAL 47 HG21 VAL 47 -0.422 8.714 6.291 296 HG23 VAL 47 HG22 VAL 47 0.882 9.706 5.641 297 H VAL 48 HN VAL 48 3.368 7.583 8.212 298 HA VAL 48 HA VAL 48 3.873 8.020 10.960 299 HB VAL 48 HB VAL 48 5.160 5.913 9.223 300 HG11 VAL 48 HG11 VAL 48 5.136 4.616 11.347 301 HG12 VAL 48 HG12 VAL 48 4.585 6.072 12.177 302 HG13 VAL 48 HG13 VAL 48 6.166 6.047 11.395 303 HG21 VAL 48 HG23 VAL 48 3.104 4.620 10.367 304 HG22 VAL 48 HG21 VAL 48 3.013 5.362 8.769 305 HG23 VAL 48 HG22 VAL 48 2.381 6.217 10.176 306 H LYS 49 HN LYS 49 5.873 8.275 8.077 307 HA LYS 49 HA LYS 49 8.339 8.601 9.470 308 HB2 LYS 49 HB2 LYS 49 8.249 7.830 7.141 309 HB3 LYS 49 HB1 LYS 49 7.583 9.381 6.648 310 HG2 LYS 49 HG2 LYS 49 9.720 10.395 7.628 311 HG3 LYS 49 HG1 LYS 49 10.349 8.746 7.604 312 HD2 LYS 49 HD2 LYS 49 10.532 8.712 5.352 313 HD3 LYS 49 HD1 LYS 49 9.059 9.654 5.115 314 HE2 LYS 49 HE2 LYS 49 10.161 11.626 5.117 315 HE3 LYS 49 HE1 LYS 49 11.321 11.096 6.335 316 HZ1 LYS 49 HZ3 LYS 49 12.051 11.494 3.875 317 HZ2 LYS 49 HZ1 LYS 49 11.469 9.921 3.653 318 HZ3 LYS 49 HZ2 LYS 49 12.706 10.216 4.768 319 H TYR 50 HN TYR 50 6.031 10.849 7.988 320 HA TYR 50 HA TYR 50 7.533 13.181 8.669 321 HD1 TYR 50 HD2 TYR 50 7.090 11.723 6.205 322 HD2 TYR 50 HD1 TYR 50 5.533 15.679 6.378 323 HE1 TYR 50 HE2 TYR 50 8.138 12.224 4.038 324 HE2 TYR 50 HE1 TYR 50 6.575 16.190 4.210 325 HH TYR 50 HH TYR 50 8.533 15.318 2.857 326 HB2 TYR 50 HB2 TYR 50 4.780 12.669 7.601 327 HB3 TYR 50 HB1 TYR 50 5.203 14.276 8.182 328 H GLU 51 HN GLU 51 4.262 12.277 9.760 329 HA GLU 51 HA GLU 51 4.888 12.469 12.522 330 HB2 GLU 51 HB2 GLU 51 3.450 14.510 12.949 331 HB3 GLU 51 HB1 GLU 51 5.025 14.817 12.229 332 HG2 GLU 51 HG2 GLU 51 3.875 14.878 9.997 333 HG3 GLU 51 HG1 GLU 51 2.345 14.844 10.872 334 H ALA 52 HN ALA 52 3.736 10.578 12.711 335 HA ALA 52 HA ALA 52 1.125 10.209 11.645 336 HB1 ALA 52 HB3 ALA 52 1.206 8.309 13.503 337 HB2 ALA 52 HB1 ALA 52 2.926 8.696 13.451 338 HB3 ALA 52 HB2 ALA 52 2.093 8.179 11.984 339 H GLN 53 HN GLN 53 -0.617 9.379 13.343 340 HA GLN 53 HA GLN 53 -1.460 11.694 14.760 341 HB2 GLN 53 HB2 GLN 53 -2.571 8.893 14.981 342 HB3 GLN 53 HB1 GLN 53 -3.393 10.391 15.396 343 HG2 GLN 53 HG2 GLN 53 -2.906 10.951 12.866 344 HG3 GLN 53 HG1 GLN 53 -2.851 9.194 12.736 345 HE21 GLN 53 HE21 GLN 53 -4.702 8.247 12.304 346 HE22 GLN 53 HE22 GLN 53 -6.276 8.874 12.644 347 H GLY 54 HN GLY 54 -0.946 8.399 16.037 348 HA2 GLY 54 HA2 GLY 54 0.407 9.573 18.361 349 HA3 GLY 54 HA1 GLY 54 -1.014 8.578 18.638 350 H ASP 55 HN ASP 55 0.891 7.561 19.940 351 HA ASP 55 HA ASP 55 2.859 6.051 18.634 352 HB2 ASP 55 HB2 ASP 55 2.347 6.603 21.218 353 HB3 ASP 55 HB1 ASP 55 1.720 4.959 21.148 354 H LYS 56 HN LYS 56 -0.333 5.058 19.863 355 HA LYS 56 HA LYS 56 -0.206 2.395 19.002 356 HB2 LYS 56 HB2 LYS 56 -2.384 4.266 19.786 357 HB3 LYS 56 HB1 LYS 56 -2.843 2.799 18.933 358 HG2 LYS 56 HG2 LYS 56 -1.217 1.740 20.778 359 HG3 LYS 56 HG1 LYS 56 -1.789 3.156 21.663 360 HD2 LYS 56 HD2 LYS 56 -4.137 2.395 20.877 361 HD3 LYS 56 HD1 LYS 56 -3.353 0.842 20.578 362 HE2 LYS 56 HE2 LYS 56 -4.440 1.068 22.827 363 HE3 LYS 56 HE1 LYS 56 -2.735 0.621 22.862 364 HZ1 LYS 56 HZ3 LYS 56 -2.143 2.589 23.774 365 HZ2 LYS 56 HZ1 LYS 56 -3.729 2.543 24.362 366 HZ3 LYS 56 HZ2 LYS 56 -3.360 3.467 22.993 367 H ALA 57 HN ALA 57 -1.041 5.339 17.318 368 HA ALA 57 HA ALA 57 -2.292 4.168 15.071 369 HB1 ALA 57 HB3 ALA 57 -2.401 6.275 14.217 370 HB2 ALA 57 HB1 ALA 57 -0.769 6.693 14.740 371 HB3 ALA 57 HB2 ALA 57 -2.092 6.678 15.906 372 H LYS 58 HN LYS 58 1.067 5.069 15.741 373 HA LYS 58 HA LYS 58 2.122 4.532 13.202 374 HB2 LYS 58 HB2 LYS 58 3.491 4.246 15.883 375 HB3 LYS 58 HB1 LYS 58 4.294 4.386 14.325 376 HG2 LYS 58 HG2 LYS 58 3.769 6.625 14.105 377 HG3 LYS 58 HG1 LYS 58 2.423 6.525 15.242 378 HD2 LYS 58 HD2 LYS 58 4.089 6.107 17.057 379 HD3 LYS 58 HD1 LYS 58 5.367 6.427 15.884 380 HE2 LYS 58 HE2 LYS 58 3.818 8.609 15.530 381 HE3 LYS 58 HE1 LYS 58 3.521 8.283 17.237 382 HZ1 LYS 58 HZ3 LYS 58 5.394 9.781 16.919 383 HZ2 LYS 58 HZ1 LYS 58 6.197 8.617 15.990 384 HZ3 LYS 58 HZ2 LYS 58 5.899 8.333 17.630 385 H GLN 59 HN GLN 59 1.851 2.444 16.066 386 HA GLN 59 HA GLN 59 3.069 0.175 14.965 387 HB2 GLN 59 HB2 GLN 59 1.164 0.653 17.217 388 HB3 GLN 59 HB1 GLN 59 1.460 -1.001 16.698 389 HG2 GLN 59 HG2 GLN 59 3.886 0.585 17.085 390 HG3 GLN 59 HG1 GLN 59 2.924 0.356 18.545 391 HE21 GLN 59 HE21 GLN 59 3.337 -1.814 15.794 392 HE22 GLN 59 HE22 GLN 59 4.057 -3.105 16.689 393 H SER 60 HN SER 60 -0.249 1.335 14.823 394 HA SER 60 HA SER 60 -1.401 -0.990 13.714 395 HG SER 60 HG SER 60 -4.034 -0.302 13.879 396 HB2 SER 60 HB2 SER 60 -2.603 1.015 14.752 397 HB3 SER 60 HB1 SER 60 -2.372 1.821 13.200 398 H ILE 61 HN ILE 61 -0.079 1.945 12.221 399 HA ILE 61 HA ILE 61 -0.641 1.158 9.551 400 HB ILE 61 HB ILE 61 1.481 3.098 10.473 401 HG12 ILE 61 HG12 ILE 61 -1.290 3.867 9.599 402 HG13 ILE 61 HG11 ILE 61 -0.971 3.440 11.277 403 HG21 ILE 61 HG21 ILE 61 0.157 2.545 7.845 404 HG22 ILE 61 HG22 ILE 61 1.874 2.700 8.217 405 HG23 ILE 61 HG23 ILE 61 0.842 4.131 8.200 406 HD11 ILE 61 HD13 ILE 61 -0.912 5.879 10.775 407 HD12 ILE 61 HD11 ILE 61 0.522 5.583 9.793 408 HD13 ILE 61 HD12 ILE 61 0.554 5.245 11.524 409 H ARG 62 HN ARG 62 2.082 0.684 11.711 410 HA ARG 62 HA ARG 62 4.009 -0.133 9.860 411 HE ARG 62 HE ARG 62 6.374 2.471 13.254 412 HB2 ARG 62 HB2 ARG 62 3.555 -0.682 12.769 413 HB3 ARG 62 HB1 ARG 62 4.819 -1.552 11.911 414 HG2 ARG 62 HG2 ARG 62 5.863 0.562 11.289 415 HG3 ARG 62 HG1 ARG 62 4.588 1.443 12.133 416 HD2 ARG 62 HD2 ARG 62 5.268 0.158 14.208 417 HD3 ARG 62 HD1 ARG 62 6.691 -0.361 13.305 418 HH11 ARG 62 HH11 ARG 62 7.495 -0.180 15.227 419 HH12 ARG 62 HH12 ARG 62 8.611 0.794 16.123 420 HH21 ARG 62 HH21 ARG 62 7.842 3.754 14.431 421 HH22 ARG 62 HH22 ARG 62 8.808 3.028 15.671 422 H ALA 63 HN ALA 63 1.457 -1.953 11.487 423 HA ALA 63 HA ALA 63 2.269 -4.486 10.431 424 HB1 ALA 63 HB3 ALA 63 0.891 -4.032 12.544 425 HB2 ALA 63 HB1 ALA 63 0.411 -5.388 11.524 426 HB3 ALA 63 HB2 ALA 63 -0.484 -3.870 11.452 427 H LYS 64 HN LYS 64 0.112 -1.930 9.417 428 HA LYS 64 HA LYS 64 -1.216 -3.465 7.398 429 HB2 LYS 64 HB2 LYS 64 -1.005 -0.466 7.720 430 HB3 LYS 64 HB1 LYS 64 -2.127 -1.309 6.660 431 HG2 LYS 64 HG2 LYS 64 -3.442 -2.035 8.402 432 HG3 LYS 64 HG1 LYS 64 -2.135 -1.910 9.581 433 HD2 LYS 64 HD2 LYS 64 -2.539 0.274 9.987 434 HD3 LYS 64 HD1 LYS 64 -2.929 0.620 8.301 435 HE2 LYS 64 HE2 LYS 64 -4.941 0.940 9.465 436 HE3 LYS 64 HE1 LYS 64 -5.099 -0.647 8.712 437 HZ1 LYS 64 HZ3 LYS 64 -4.667 -1.709 10.763 438 HZ2 LYS 64 HZ1 LYS 64 -5.815 -0.509 11.089 439 HZ3 LYS 64 HZ2 LYS 64 -4.195 -0.267 11.510 440 H CYS 65 HN CYS 65 1.454 -1.141 7.435 441 HA CYS 65 HA CYS 65 1.843 -1.025 4.647 442 HG CYS 65 HG CYS 65 2.779 1.453 4.577 443 HB2 CYS 65 HB2 CYS 65 3.446 -0.311 7.052 444 HB3 CYS 65 HB1 CYS 65 4.303 -0.460 5.522 445 H THR 66 HN THR 66 3.007 -3.231 7.115 446 HA THR 66 HA THR 66 4.836 -4.566 5.325 447 HB THR 66 HB THR 66 5.318 -4.407 7.732 448 HG1 THR 66 HG1 THR 66 5.991 -6.262 6.408 449 HG21 THR 66 HG23 THR 66 3.027 -6.311 8.140 450 HG22 THR 66 HG21 THR 66 3.011 -4.603 8.579 451 HG23 THR 66 HG22 THR 66 4.140 -5.705 9.366 452 H GLU 67 HN GLU 67 1.563 -4.995 6.469 453 HA GLU 67 HA GLU 67 1.260 -7.685 5.583 454 HB2 GLU 67 HB2 GLU 67 -0.188 -6.708 7.308 455 HB3 GLU 67 HB1 GLU 67 -0.833 -5.572 6.131 456 HG2 GLU 67 HG2 GLU 67 -2.106 -7.153 5.090 457 HG3 GLU 67 HG1 GLU 67 -1.033 -8.476 5.543 458 H TYR 68 HN TYR 68 0.306 -4.544 4.220 459 HA TYR 68 HA TYR 68 -0.831 -5.622 1.857 460 HD1 TYR 68 HD1 TYR 68 -2.840 -4.927 1.975 461 HD2 TYR 68 HD2 TYR 68 -1.088 -1.494 3.776 462 HE1 TYR 68 HE1 TYR 68 -4.942 -4.492 3.176 463 HE2 TYR 68 HE2 TYR 68 -3.184 -1.050 4.982 464 HH TYR 68 HH TYR 68 -5.167 -2.222 5.723 465 HB2 TYR 68 HB2 TYR 68 0.229 -2.851 2.450 466 HB3 TYR 68 HB1 TYR 68 -0.685 -3.281 1.008 467 H LEU 69 HN LEU 69 2.390 -4.471 2.697 468 HA LEU 69 HA LEU 69 3.501 -4.416 0.127 469 HG LEU 69 HG LEU 69 4.157 -2.424 1.867 470 HB2 LEU 69 HB2 LEU 69 4.587 -4.673 2.889 471 HB3 LEU 69 HB1 LEU 69 5.658 -5.022 1.545 472 HD11 LEU 69 HD11 LEU 69 6.604 -1.641 2.322 473 HD12 LEU 69 HD12 LEU 69 6.834 -3.312 2.837 474 HD13 LEU 69 HD13 LEU 69 5.626 -2.303 3.631 475 HD21 LEU 69 HD23 LEU 69 6.604 -2.646 0.235 476 HD22 LEU 69 HD21 LEU 69 5.127 -1.724 -0.047 477 HD23 LEU 69 HD22 LEU 69 5.170 -3.451 -0.402 478 H ASP 70 HN ASP 70 3.217 -7.044 2.477 479 HA ASP 70 HA ASP 70 4.734 -8.945 1.054 480 HB2 ASP 70 HB2 ASP 70 3.704 -8.923 3.515 481 HB3 ASP 70 HB1 ASP 70 2.439 -9.856 2.720 482 H ARG 71 HN ARG 71 1.290 -8.149 1.021 483 HA ARG 71 HA ARG 71 0.509 -10.260 -0.700 484 HE ARG 71 HE ARG 71 -4.745 -9.673 -2.145 485 HB2 ARG 71 HB2 ARG 71 -0.894 -8.624 0.830 486 HB3 ARG 71 HB1 ARG 71 -0.988 -7.679 -0.650 487 HG2 ARG 71 HG2 ARG 71 -1.687 -10.050 -1.634 488 HG3 ARG 71 HG1 ARG 71 -2.227 -10.270 0.032 489 HD2 ARG 71 HD2 ARG 71 -3.418 -8.057 -0.202 490 HD3 ARG 71 HD1 ARG 71 -3.063 -8.146 -1.927 491 HH11 ARG 71 HH11 ARG 71 -3.838 -9.501 1.220 492 HH12 ARG 71 HH12 ARG 71 -5.127 -10.530 1.749 493 HH21 ARG 71 HH21 ARG 71 -6.440 -11.020 -1.452 494 HH22 ARG 71 HH22 ARG 71 -6.604 -11.390 0.232 495 H ALA 72 HN ALA 72 1.527 -6.931 -1.254 496 HA ALA 72 HA ALA 72 1.015 -7.016 -4.076 497 HB1 ALA 72 HB3 ALA 72 2.177 -5.060 -2.174 498 HB2 ALA 72 HB1 ALA 72 0.914 -4.851 -3.387 499 HB3 ALA 72 HB2 ALA 72 2.608 -4.899 -3.877 500 H GLU 73 HN GLU 73 3.776 -7.572 -1.985 501 HA GLU 73 HA GLU 73 5.809 -7.521 -3.910 502 HB2 GLU 73 HB2 GLU 73 5.482 -8.732 -1.211 503 HB3 GLU 73 HB1 GLU 73 6.815 -9.305 -2.204 504 HG2 GLU 73 HG2 GLU 73 7.077 -6.615 -2.461 505 HG3 GLU 73 HG1 GLU 73 6.454 -6.754 -0.817 506 H LYS 74 HN LYS 74 3.790 -10.200 -2.758 507 HA LYS 74 HA LYS 74 5.011 -12.150 -4.436 508 HB2 LYS 74 HB2 LYS 74 2.619 -12.040 -2.669 509 HB3 LYS 74 HB1 LYS 74 2.664 -13.300 -3.892 510 HG2 LYS 74 HG2 LYS 74 5.103 -12.980 -2.266 511 HG3 LYS 74 HG1 LYS 74 3.672 -13.580 -1.427 512 HD2 LYS 74 HD2 LYS 74 4.325 -14.800 -4.051 513 HD3 LYS 74 HD1 LYS 74 5.379 -15.190 -2.691 514 HE2 LYS 74 HE2 LYS 74 3.789 -16.400 -1.637 515 HE3 LYS 74 HE1 LYS 74 2.487 -15.320 -2.147 516 HZ1 LYS 74 HZ3 LYS 74 3.824 -17.180 -4.025 517 HZ2 LYS 74 HZ1 LYS 74 2.347 -16.380 -4.220 518 HZ3 LYS 74 HZ2 LYS 74 2.483 -17.640 -3.106 519 H LEU 75 HN LEU 75 2.175 -10.080 -4.719 520 HA LEU 75 HA LEU 75 1.022 -11.220 -6.989 521 HG LEU 75 HG LEU 75 -1.038 -10.470 -7.202 522 HB2 LEU 75 HB2 LEU 75 0.713 -8.830 -5.447 523 HB3 LEU 75 HB1 LEU 75 0.652 -8.428 -7.152 524 HD11 LEU 75 HD11 LEU 75 -2.385 -10.610 -5.221 525 HD12 LEU 75 HD12 LEU 75 -1.416 -9.373 -4.426 526 HD13 LEU 75 HD13 LEU 75 -0.708 -10.940 -4.789 527 HD21 LEU 75 HD23 LEU 75 -2.866 -8.851 -6.945 528 HD22 LEU 75 HD21 LEU 75 -1.556 -8.235 -7.952 529 HD23 LEU 75 HD22 LEU 75 -1.717 -7.689 -6.283 530 H LYS 76 HN LYS 76 3.318 -8.513 -6.769 531 HA LYS 76 HA LYS 76 3.617 -8.218 -9.570 532 HB2 LYS 76 HB2 LYS 76 5.506 -6.778 -9.032 533 HB3 LYS 76 HB1 LYS 76 4.148 -6.424 -7.972 534 HG2 LYS 76 HG2 LYS 76 5.224 -7.845 -6.233 535 HG3 LYS 76 HG1 LYS 76 6.629 -7.985 -7.292 536 HD2 LYS 76 HD2 LYS 76 5.673 -5.241 -6.818 537 HD3 LYS 76 HD1 LYS 76 6.327 -6.068 -5.403 538 HE2 LYS 76 HE2 LYS 76 8.120 -4.897 -6.460 539 HE3 LYS 76 HE1 LYS 76 8.351 -6.620 -6.756 540 HZ1 LYS 76 HZ3 LYS 76 7.465 -6.353 -8.963 541 HZ2 LYS 76 HZ1 LYS 76 8.733 -5.254 -8.739 542 HZ3 LYS 76 HZ2 LYS 76 7.129 -4.719 -8.683 543 H GLU 77 HN GLU 77 5.112 -10.270 -7.205 544 HA GLU 77 HA GLU 77 7.492 -10.950 -8.450 545 HB2 GLU 77 HB2 GLU 77 6.428 -11.690 -6.164 546 HB3 GLU 77 HB1 GLU 77 5.871 -13.070 -7.103 547 HG2 GLU 77 HG2 GLU 77 7.846 -13.880 -6.295 548 HG3 GLU 77 HG1 GLU 77 8.376 -13.200 -7.836 549 H TYR 78 HN TYR 78 4.384 -12.700 -8.723 550 HA TYR 78 HA TYR 78 5.301 -14.410 -10.780 551 HD1 TYR 78 HD1 TYR 78 1.847 -13.740 -12.440 552 HD2 TYR 78 HD2 TYR 78 1.831 -13.210 -8.225 553 HE1 TYR 78 HE1 TYR 78 -0.189 -12.370 -12.630 554 HE2 TYR 78 HE2 TYR 78 -0.206 -11.840 -8.398 555 HH TYR 78 HH TYR 78 -2.081 -11.690 -11.220 556 HB2 TYR 78 HB2 TYR 78 3.114 -15.270 -10.860 557 HB3 TYR 78 HB1 TYR 78 3.316 -14.760 -9.195 558 H LEU 79 HN LEU 79 3.698 -11.290 -10.760 559 HA LEU 79 HA LEU 79 2.980 -11.220 -13.500 560 HG LEU 79 HG LEU 79 1.370 -10.380 -11.210 561 HB2 LEU 79 HB2 LEU 79 3.466 -9.075 -11.450 562 HB3 LEU 79 HB1 LEU 79 3.010 -8.700 -13.100 563 HD11 LEU 79 HD11 LEU 79 0.956 -8.384 -10.270 564 HD12 LEU 79 HD12 LEU 79 -0.102 -8.172 -11.660 565 HD13 LEU 79 HD13 LEU 79 1.521 -7.482 -11.670 566 HD21 LEU 79 HD23 LEU 79 -0.393 -10.090 -12.890 567 HD22 LEU 79 HD21 LEU 79 1.003 -10.950 -13.540 568 HD23 LEU 79 HD22 LEU 79 0.756 -9.254 -13.940 569 H LYS 80 HN LYS 80 5.919 -10.390 -11.770 570 HA LYS 80 HA LYS 80 7.174 -9.166 -14.040 571 HB2 LYS 80 HB2 LYS 80 7.926 -9.779 -11.240 572 HB3 LYS 80 HB1 LYS 80 9.245 -9.665 -12.400 573 HG2 LYS 80 HG2 LYS 80 8.920 -7.532 -11.350 574 HG3 LYS 80 HG1 LYS 80 8.440 -7.423 -13.050 575 HD2 LYS 80 HD2 LYS 80 6.066 -7.978 -12.120 576 HD3 LYS 80 HD1 LYS 80 6.741 -7.414 -10.590 577 HE2 LYS 80 HE2 LYS 80 7.094 -5.258 -11.400 578 HE3 LYS 80 HE1 LYS 80 7.008 -5.776 -13.080 579 HZ1 LYS 80 HZ3 LYS 80 4.868 -5.103 -11.240 580 HZ2 LYS 80 HZ1 LYS 80 4.572 -6.426 -12.250 581 HZ3 LYS 80 HZ2 LYS 80 4.948 -4.918 -12.920 582 H ASN 81 HN ASN 81 7.120 -12.340 -12.560 583 HA ASN 81 HA ASN 81 9.320 -13.430 -13.970 584 HB2 ASN 81 HB2 ASN 81 8.276 -14.400 -11.900 585 HB3 ASN 81 HB1 ASN 81 6.921 -14.930 -12.900 586 HD21 ASN 81 HD21 ASN 81 7.120 -17.070 -12.900 587 HD22 ASN 81 HD22 ASN 81 8.522 -17.940 -13.410
Contact the webmaster for help, if required. Monday, May 13, 2024 9:31:12 PM GMT (wattos1)