NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9340 | 1nrb | 4043 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 463 H/Q atoms Start of MODEL 1 1 1H LYS 1 HT1 LYS 1 3.063 14.249 3.721 2 2H LYS 1 HT3 LYS 1 4.698 14.634 3.492 3 3H LYS 1 HT2 LYS 1 3.630 14.652 2.172 4 HA LYS 1 HA LYS 1 3.580 12.399 1.960 5 1HB LYS 1 HB2 LYS 1 6.234 12.759 3.388 6 2HB LYS 1 HB1 LYS 1 5.848 11.587 2.127 7 1HG LYS 1 HG2 LYS 1 5.598 13.338 0.480 8 2HG LYS 1 HG1 LYS 1 5.743 14.587 1.717 9 1HD LYS 1 HD2 LYS 1 7.937 14.608 1.122 10 2HD LYS 1 HD1 LYS 1 8.045 13.162 2.127 11 1HE LYS 1 HE2 LYS 1 7.357 11.871 -0.012 12 2HE LYS 1 HE1 LYS 1 7.785 13.349 -0.872 13 1HZ LYS 1 HZ3 LYS 1 9.960 13.213 0.394 14 2HZ LYS 1 HZ2 LYS 1 9.525 11.615 0.776 15 3HZ LYS 1 HZ1 LYS 1 9.727 12.080 -0.847 16 H LYS 2 HN LYS 2 3.805 10.216 3.012 17 HA LYS 2 HA LYS 2 4.028 9.998 5.881 18 1HB LYS 2 HB2 LYS 2 1.608 9.369 6.263 19 2HB LYS 2 HB1 LYS 2 1.875 11.082 5.935 20 1HG LYS 2 HG2 LYS 2 0.036 10.463 4.557 21 2HG LYS 2 HG1 LYS 2 1.428 10.521 3.473 22 1HD LYS 2 HD2 LYS 2 1.290 8.309 3.030 23 2HD LYS 2 HD1 LYS 2 1.135 7.908 4.741 24 1HE LYS 2 HE2 LYS 2 -0.928 7.224 3.851 25 2HE LYS 2 HE1 LYS 2 -1.289 8.821 4.505 26 1HZ LYS 2 HZ2 LYS 2 -0.556 8.275 1.681 27 2HZ LYS 2 HZ1 LYS 2 -2.144 8.499 2.241 28 3HZ LYS 2 HZ3 LYS 2 -1.026 9.772 2.333 29 H ASP 3 HN ASP 3 3.514 7.758 6.614 30 HA ASP 3 HA ASP 3 4.039 5.799 4.433 31 1HB ASP 3 HB2 ASP 3 3.946 5.034 7.314 32 2HB ASP 3 HB1 ASP 3 5.065 4.508 6.054 33 H GLY 4 HN GLY 4 2.769 3.631 4.743 34 1HA GLY 4 HA2 GLY 4 0.586 3.092 6.256 35 2HA GLY 4 HA1 GLY 4 -0.070 4.327 5.188 36 OH TYR 5 OH TYR 5 0.228 -2.612 8.246 37 H TYR 5 HN TYR 5 -1.479 2.307 4.759 38 HA TYR 5 HA TYR 5 -0.229 0.448 2.803 39 1HB TYR 5 HB2 TYR 5 -3.001 0.452 4.033 40 2HB TYR 5 HB1 TYR 5 -2.345 -0.805 2.989 41 HD1 TYR 5 HD2 TYR 5 -0.414 -2.184 3.763 42 HD2 TYR 5 HD1 TYR 5 -2.409 0.585 6.357 43 HE1 TYR 5 HE2 TYR 5 0.600 -3.306 5.722 44 HE2 TYR 5 HE1 TYR 5 -1.399 -0.534 8.322 45 HH TYR 5 HH TYR 5 1.060 -3.002 7.970 46 HA PRO 6 HA PRO 6 -1.952 3.367 -0.197 47 1HB PRO 6 HB2 PRO 6 -0.746 1.828 -2.283 48 2HB PRO 6 HB1 PRO 6 -0.192 3.375 -1.628 49 1HG PRO 6 HG2 PRO 6 1.004 0.770 -1.267 50 2HG PRO 6 HG1 PRO 6 1.570 2.325 -0.644 51 1HD PRO 6 HD2 PRO 6 0.328 0.176 0.831 52 2HD PRO 6 HD1 PRO 6 0.909 1.734 1.450 53 H VAL 7 HN VAL 7 -4.141 2.848 -0.312 54 HA VAL 7 HA VAL 7 -4.924 0.228 -1.483 55 HB VAL 7 HB VAL 7 -7.131 0.677 -0.644 56 1HG1 VAL 7 HG12 VAL 7 -5.431 -0.106 0.990 57 2HG1 VAL 7 HG11 VAL 7 -5.085 1.572 1.406 58 3HG1 VAL 7 HG13 VAL 7 -6.672 0.886 1.753 59 1HG2 VAL 7 HG23 VAL 7 -7.155 3.099 -1.226 60 2HG2 VAL 7 HG22 VAL 7 -7.703 2.811 0.425 61 3HG2 VAL 7 HG21 VAL 7 -6.073 3.416 0.130 62 H ASP 8 HN ASP 8 -5.968 0.105 -3.461 63 HA ASP 8 HA ASP 8 -5.550 2.193 -5.337 64 1HB ASP 8 HB2 ASP 8 -6.401 0.740 -6.894 65 2HB ASP 8 HB1 ASP 8 -6.138 -0.410 -5.589 66 H SER 9 HN SER 9 -8.058 2.399 -6.688 67 HA SER 9 HA SER 9 -9.162 4.661 -5.309 68 1HB SER 9 HB2 SER 9 -10.910 4.569 -7.101 69 2HB SER 9 HB1 SER 9 -9.265 4.518 -7.731 70 HG SER 9 HG SER 9 -11.172 2.455 -7.492 71 H GLY 10 HN GLY 10 -10.178 1.272 -5.535 72 1HA GLY 10 HA2 GLY 10 -12.619 1.864 -3.983 73 2HA GLY 10 HA1 GLY 10 -12.188 0.301 -4.671 74 H ASN 11 HN ASN 11 -9.604 1.810 -2.952 75 HA ASN 11 HA ASN 11 -8.755 1.433 -0.787 76 1HB ASN 11 HB2 ASN 11 -11.525 1.253 -0.409 77 2HB ASN 11 HB1 ASN 11 -10.888 -0.247 0.264 78 1HD2 ASN 11 HD22 ASN 11 -10.459 3.108 2.374 79 2HD2 ASN 11 HD21 ASN 11 -11.536 2.932 1.073 80 H CYS 12 HN CYS 12 -8.019 -0.154 -2.879 81 HA CYS 12 HA CYS 12 -8.184 -2.944 -1.892 82 1HB CYS 12 HB2 CYS 12 -7.419 -1.753 -4.565 83 2HB CYS 12 HB1 CYS 12 -7.271 -3.464 -4.184 84 H LYS 13 HN LYS 13 -6.639 -2.589 -0.204 85 HA LYS 13 HA LYS 13 -4.108 -1.463 -0.314 86 1HB LYS 13 HB2 LYS 13 -3.500 -3.565 1.201 87 2HB LYS 13 HB1 LYS 13 -4.604 -2.318 1.783 88 1HG LYS 13 HG2 LYS 13 -6.412 -3.699 1.693 89 2HG LYS 13 HG1 LYS 13 -5.887 -4.442 0.184 90 1HD LYS 13 HD2 LYS 13 -4.281 -5.836 1.378 91 2HD LYS 13 HD1 LYS 13 -4.679 -5.034 2.899 92 1HE LYS 13 HE2 LYS 13 -6.471 -6.359 3.210 93 2HE LYS 13 HE1 LYS 13 -7.082 -5.990 1.596 94 1HZ LYS 13 HZ1 LYS 13 -4.830 -7.672 1.394 95 2HZ LYS 13 HZ3 LYS 13 -5.937 -8.362 2.479 96 3HZ LYS 13 HZ2 LYS 13 -6.428 -7.969 0.900 97 OH TYR 14 OH TYR 14 -3.240 1.983 -5.666 98 H TYR 14 HN TYR 14 -2.502 -1.760 -1.816 99 HA TYR 14 HA TYR 14 -2.410 -3.940 -3.642 100 1HB TYR 14 HB2 TYR 14 -0.003 -2.336 -2.731 101 2HB TYR 14 HB1 TYR 14 -0.224 -3.165 -4.270 102 HD1 TYR 14 HD1 TYR 14 -2.904 -2.522 -5.086 103 HD2 TYR 14 HD2 TYR 14 -0.002 -0.015 -3.158 104 HE1 TYR 14 HE1 TYR 14 -4.008 -0.523 -6.039 105 HE2 TYR 14 HE2 TYR 14 -1.102 1.989 -4.113 106 HH TYR 14 HH TYR 14 -3.548 1.763 -6.548 107 H GLU 15 HN GLU 15 -2.525 -5.910 -2.662 108 HA GLU 15 HA GLU 15 -1.055 -6.702 -0.333 109 1HB GLU 15 HB2 GLU 15 -1.725 -8.964 -0.954 110 2HB GLU 15 HB1 GLU 15 -3.076 -7.854 -1.183 111 1HG GLU 15 HG2 GLU 15 -3.141 -8.252 -3.403 112 2HG GLU 15 HG1 GLU 15 -1.399 -8.018 -3.556 113 H CYS 16 HN CYS 16 0.539 -8.675 -0.512 114 HA CYS 16 HA CYS 16 2.256 -8.513 -2.906 115 1HB CYS 16 HB2 CYS 16 3.765 -7.131 -2.030 116 2HB CYS 16 HB1 CYS 16 2.803 -7.007 -0.563 117 H LEU 17 HN LEU 17 4.141 -10.020 -2.702 118 HA LEU 17 HA LEU 17 3.462 -12.406 -1.039 119 1HB LEU 17 HB2 LEU 17 4.526 -13.733 -2.946 120 2HB LEU 17 HB1 LEU 17 2.957 -13.011 -3.305 121 HG LEU 17 HG LEU 17 5.119 -11.149 -3.856 122 1HD1 LEU 17 HD12 LEU 17 5.795 -13.804 -4.410 123 2HD1 LEU 17 HD11 LEU 17 5.218 -13.166 -5.952 124 3HD1 LEU 17 HD13 LEU 17 6.544 -12.367 -5.107 125 1HD2 LEU 17 HD23 LEU 17 2.973 -12.453 -5.563 126 2HD2 LEU 17 HD22 LEU 17 2.824 -10.921 -4.701 127 3HD2 LEU 17 HD21 LEU 17 3.952 -11.067 -6.050 128 H LYS 18 HN LYS 18 5.809 -10.090 -2.066 129 HA LYS 18 HA LYS 18 7.814 -11.331 -0.278 130 1HB LYS 18 HB2 LYS 18 8.253 -10.671 -3.200 131 2HB LYS 18 HB1 LYS 18 9.586 -10.816 -2.054 132 1HG LYS 18 HG2 LYS 18 7.564 -13.019 -2.148 133 2HG LYS 18 HG1 LYS 18 8.750 -12.920 -3.450 134 1HD LYS 18 HD2 LYS 18 10.259 -13.898 -2.101 135 2HD LYS 18 HD1 LYS 18 10.169 -12.494 -1.036 136 1HE LYS 18 HE2 LYS 18 7.966 -13.669 -0.177 137 2HE LYS 18 HE1 LYS 18 8.729 -15.116 -0.836 138 1HZ LYS 18 HZ2 LYS 18 10.774 -14.125 0.475 139 2HZ LYS 18 HZ1 LYS 18 9.535 -13.448 1.420 140 3HZ LYS 18 HZ3 LYS 18 9.629 -15.130 1.228 141 H ASP 19 HN ASP 19 9.280 -9.766 0.585 142 HA ASP 19 HA ASP 19 8.284 -7.151 1.018 143 1HB ASP 19 HB2 ASP 19 9.922 -8.050 2.525 144 2HB ASP 19 HB1 ASP 19 11.086 -8.269 1.222 145 H ASP 20 HN ASP 20 10.487 -8.345 -1.503 146 HA ASP 20 HA ASP 20 11.356 -5.816 -2.476 147 1HB ASP 20 HB2 ASP 20 11.824 -7.109 -4.551 148 2HB ASP 20 HB1 ASP 20 12.439 -7.905 -3.113 149 OH TYR 21 OH TYR 21 1.409 -5.411 -6.600 150 H TYR 21 HN TYR 21 8.502 -7.797 -3.309 151 HA TYR 21 HA TYR 21 7.642 -6.182 -5.502 152 1HB TYR 21 HB2 TYR 21 6.616 -8.335 -5.180 153 2HB TYR 21 HB1 TYR 21 6.103 -7.907 -3.547 154 HD1 TYR 21 HD1 TYR 21 5.956 -5.499 -6.335 155 HD2 TYR 21 HD2 TYR 21 3.737 -8.311 -3.969 156 HE1 TYR 21 HE1 TYR 21 3.837 -4.581 -7.231 157 HE2 TYR 21 HE2 TYR 21 1.616 -7.391 -4.862 158 HH TYR 21 HH TYR 21 1.256 -5.799 -7.464 159 H CYS 22 HN CYS 22 7.094 -5.932 -2.013 160 HA CYS 22 HA CYS 22 5.196 -3.769 -2.192 161 1HB CYS 22 HB2 CYS 22 6.958 -4.830 0.009 162 2HB CYS 22 HB1 CYS 22 5.967 -3.394 0.239 163 H ASN 23 HN ASN 23 8.698 -3.901 -1.724 164 HA ASN 23 HA ASN 23 9.149 -1.127 -1.273 165 1HB ASN 23 HB2 ASN 23 10.825 -3.012 -1.056 166 2HB ASN 23 HB1 ASN 23 10.954 -3.036 -2.803 167 1HD2 ASN 23 HD22 ASN 23 13.135 -0.372 -0.796 168 2HD2 ASN 23 HD21 ASN 23 12.417 -1.740 -0.095 169 H ASP 24 HN ASP 24 9.355 -2.996 -4.271 170 HA ASP 24 HA ASP 24 9.797 -0.786 -6.014 171 1HB ASP 24 HB2 ASP 24 9.916 -3.350 -6.465 172 2HB ASP 24 HB1 ASP 24 8.199 -3.210 -6.817 173 H LEU 25 HN LEU 25 6.717 -2.612 -5.787 174 HA LEU 25 HA LEU 25 5.073 -0.757 -7.021 175 1HB LEU 25 HB2 LEU 25 4.054 -2.801 -6.384 176 2HB LEU 25 HB1 LEU 25 4.557 -2.626 -4.703 177 HG LEU 25 HG LEU 25 2.944 -0.355 -5.513 178 1HD1 LEU 25 HD11 LEU 25 2.141 -2.627 -6.854 179 2HD1 LEU 25 HD13 LEU 25 1.172 -2.700 -5.383 180 3HD1 LEU 25 HD12 LEU 25 1.085 -1.280 -6.426 181 1HD2 LEU 25 HD23 LEU 25 2.890 -2.511 -3.409 182 2HD2 LEU 25 HD22 LEU 25 3.134 -0.775 -3.210 183 3HD2 LEU 25 HD21 LEU 25 1.527 -1.404 -3.576 184 H CYS 26 HN CYS 26 6.499 -0.598 -3.831 185 HA CYS 26 HA CYS 26 4.898 1.508 -2.783 186 1HB CYS 26 HB2 CYS 26 7.449 0.155 -2.106 187 2HB CYS 26 HB1 CYS 26 7.242 1.758 -1.446 188 H LEU 27 HN LEU 27 8.045 1.482 -4.415 189 HA LEU 27 HA LEU 27 8.533 4.259 -4.292 190 1HB LEU 27 HB2 LEU 27 9.436 2.184 -6.308 191 2HB LEU 27 HB1 LEU 27 10.117 3.806 -6.171 192 HG LEU 27 HG LEU 27 9.959 2.155 -3.690 193 1HD1 LEU 27 HD13 LEU 27 11.928 1.712 -5.946 194 2HD1 LEU 27 HD12 LEU 27 12.220 1.187 -4.287 195 3HD1 LEU 27 HD11 LEU 27 10.867 0.518 -5.198 196 1HD2 LEU 27 HD23 LEU 27 10.832 4.595 -3.993 197 2HD2 LEU 27 HD22 LEU 27 11.791 3.475 -3.026 198 3HD2 LEU 27 HD21 LEU 27 12.260 3.828 -4.689 199 H GLU 28 HN GLU 28 6.707 2.289 -6.587 200 HA GLU 28 HA GLU 28 6.351 4.302 -8.558 201 1HB GLU 28 HB2 GLU 28 5.687 1.663 -8.376 202 2HB GLU 28 HB1 GLU 28 4.111 2.434 -8.203 203 1HG GLU 28 HG2 GLU 28 4.363 3.610 -10.287 204 2HG GLU 28 HG1 GLU 28 6.055 3.131 -10.415 205 NH1 ARG 29 NH2 ARG 29 -0.642 2.537 -7.823 206 NH2 ARG 29 NH1 ARG 29 1.096 2.698 -9.260 207 H ARG 29 HN ARG 29 4.437 3.404 -5.751 208 HA ARG 29 HA ARG 29 2.305 5.220 -6.219 209 1HB ARG 29 HB2 ARG 29 3.274 4.284 -3.511 210 2HB ARG 29 HB1 ARG 29 1.653 4.843 -3.924 211 1HG ARG 29 HG2 ARG 29 2.964 2.423 -5.176 212 2HG ARG 29 HG1 ARG 29 1.870 2.332 -3.803 213 1HD ARG 29 HD2 ARG 29 0.331 2.048 -5.489 214 2HD ARG 29 HD1 ARG 29 0.352 3.805 -5.455 215 HE ARG 29 HE ARG 29 2.398 3.093 -7.217 216 1HH1 ARG 29 HH21 ARG 29 -0.999 2.560 -6.889 217 2HH1 ARG 29 HH22 ARG 29 -1.262 2.376 -8.591 218 1HH2 ARG 29 HH11 ARG 29 2.071 2.845 -9.426 219 2HH2 ARG 29 HH12 ARG 29 0.477 2.532 -10.027 220 H LYS 30 HN LYS 30 5.515 5.785 -5.406 221 HA LYS 30 HA LYS 30 6.448 8.034 -5.430 222 1HB LYS 30 HB2 LYS 30 4.149 9.054 -5.619 223 2HB LYS 30 HB1 LYS 30 3.992 8.876 -3.870 224 1HG LYS 30 HG2 LYS 30 6.522 10.125 -4.648 225 2HG LYS 30 HG1 LYS 30 5.116 11.056 -5.167 226 1HD LYS 30 HD2 LYS 30 4.798 10.031 -2.449 227 2HD LYS 30 HD1 LYS 30 6.227 11.054 -2.605 228 1HE LYS 30 HE2 LYS 30 4.772 12.764 -3.765 229 2HE LYS 30 HE1 LYS 30 3.377 11.772 -3.338 230 1HZ LYS 30 HZ1 LYS 30 4.170 11.924 -0.988 231 2HZ LYS 30 HZ3 LYS 30 5.286 13.094 -1.500 232 3HZ LYS 30 HZ2 LYS 30 3.619 13.387 -1.655 233 H ALA 31 HN ALA 31 6.310 5.696 -3.446 234 HA ALA 31 HA ALA 31 6.913 7.173 -0.948 235 1HB ALA 31 HB2 ALA 31 6.379 4.302 -1.612 236 2HB ALA 31 HB1 ALA 31 7.241 4.709 -0.127 237 3HB ALA 31 HB3 ALA 31 5.613 5.329 -0.399 238 H ASP 32 HN ASP 32 8.915 7.140 0.012 239 HA ASP 32 HA ASP 32 11.225 6.933 -1.633 240 1HB ASP 32 HB2 ASP 32 10.723 8.202 0.639 241 2HB ASP 32 HB1 ASP 32 11.382 6.734 1.340 242 H LYS 33 HN LYS 33 9.895 4.893 0.949 243 HA LYS 33 HA LYS 33 11.112 2.517 -0.293 244 1HB LYS 33 HB2 LYS 33 12.173 1.890 1.963 245 2HB LYS 33 HB1 LYS 33 12.997 3.132 1.021 246 1HG LYS 33 HG2 LYS 33 12.635 4.706 2.598 247 2HG LYS 33 HG1 LYS 33 10.936 4.257 2.754 248 1HD LYS 33 HD2 LYS 33 11.915 3.785 4.877 249 2HD LYS 33 HD1 LYS 33 11.742 2.222 4.080 250 1HE LYS 33 HE2 LYS 33 14.252 3.262 3.272 251 2HE LYS 33 HE1 LYS 33 14.145 3.504 5.016 252 1HZ LYS 33 HZ1 LYS 33 13.361 0.928 3.821 253 2HZ LYS 33 HZ3 LYS 33 14.997 1.264 4.115 254 3HZ LYS 33 HZ2 LYS 33 13.888 1.259 5.401 255 H GLY 34 HN GLY 34 10.199 0.534 0.578 256 1HA GLY 34 HA2 GLY 34 8.231 0.650 2.726 257 2HA GLY 34 HA1 GLY 34 7.491 0.520 1.130 258 OH TYR 35 OH TYR 35 6.350 -1.561 8.543 259 H TYR 35 HN TYR 35 7.684 -1.449 3.434 260 HA TYR 35 HA TYR 35 9.000 -3.679 1.919 261 1HB TYR 35 HB2 TYR 35 9.058 -4.861 4.143 262 2HB TYR 35 HB1 TYR 35 10.084 -3.443 4.050 263 HD1 TYR 35 HD2 TYR 35 6.848 -4.743 5.326 264 HD2 TYR 35 HD1 TYR 35 9.659 -1.494 5.417 265 HE1 TYR 35 HE2 TYR 35 5.673 -3.779 7.281 266 HE2 TYR 35 HE1 TYR 35 8.485 -0.538 7.372 267 HH TYR 35 HH TYR 35 5.807 -2.250 8.932 268 H CYS 36 HN CYS 36 7.834 -5.814 3.159 269 HA CYS 36 HA CYS 36 4.966 -5.431 2.446 270 1HB CYS 36 HB2 CYS 36 6.349 -6.934 0.991 271 2HB CYS 36 HB1 CYS 36 6.564 -7.991 2.377 272 OH TYR 37 OH TYR 37 3.435 -5.914 12.397 273 H TYR 37 HN TYR 37 3.753 -5.332 4.238 274 HA TYR 37 HA TYR 37 4.586 -6.785 6.672 275 1HB TYR 37 HB2 TYR 37 3.542 -4.350 6.469 276 2HB TYR 37 HB1 TYR 37 2.021 -5.241 6.465 277 HD1 TYR 37 HD1 TYR 37 3.203 -7.591 8.168 278 HD2 TYR 37 HD2 TYR 37 3.128 -3.324 8.659 279 HE1 TYR 37 HE1 TYR 37 3.369 -7.871 10.626 280 HE2 TYR 37 HE2 TYR 37 3.293 -3.604 11.119 281 HH TYR 37 HH TYR 37 4.104 -6.581 12.573 282 CH2 TRP 38 CH2 TRP 38 1.488 -15.243 2.492 283 H TRP 38 HN TRP 38 4.164 -8.966 6.260 284 HA TRP 38 HA TRP 38 1.838 -9.901 4.864 285 1HB TRP 38 HB2 TRP 38 4.141 -11.079 6.205 286 2HB TRP 38 HB1 TRP 38 2.677 -11.998 6.528 287 HD1 TRP 38 HD1 TRP 38 4.553 -10.527 3.479 288 HE1 TRP 38 HE1 TRP 38 4.141 -12.093 1.472 289 HE3 TRP 38 HE3 TRP 38 1.350 -13.887 5.616 290 HZ2 TRP 38 HZ2 TRP 38 2.645 -14.456 0.854 291 HZ3 TRP 38 HZ3 TRP 38 0.448 -15.782 4.298 292 HH2 TRP 38 HH2 TRP 38 1.090 -16.071 1.922 293 H GLY 39 HN GLY 39 2.151 -11.412 7.989 294 1HA GLY 39 HA2 GLY 39 0.349 -11.840 9.482 295 2HA GLY 39 HA1 GLY 39 0.597 -10.120 9.779 296 H LYS 40 HN LYS 40 -0.884 -12.030 7.126 297 HA LYS 40 HA LYS 40 -2.806 -11.503 5.856 298 1HB LYS 40 HB2 LYS 40 -4.855 -11.368 7.294 299 2HB LYS 40 HB1 LYS 40 -3.805 -12.720 7.716 300 1HG LYS 40 HG2 LYS 40 -2.880 -11.495 9.589 301 2HG LYS 40 HG1 LYS 40 -3.740 -10.031 9.111 302 1HD LYS 40 HD2 LYS 40 -4.975 -11.081 10.916 303 2HD LYS 40 HD1 LYS 40 -5.900 -11.275 9.426 304 1HE LYS 40 HE2 LYS 40 -5.905 -13.495 9.804 305 2HE LYS 40 HE1 LYS 40 -4.166 -13.488 9.513 306 1HZ LYS 40 HZ3 LYS 40 -5.484 -13.010 12.132 307 2HZ LYS 40 HZ2 LYS 40 -4.701 -14.444 11.664 308 3HZ LYS 40 HZ1 LYS 40 -3.811 -13.009 11.852 309 H VAL 41 HN VAL 41 -1.344 -9.366 5.578 310 HA VAL 41 HA VAL 41 -3.205 -7.104 6.117 311 HB VAL 41 HB VAL 41 -0.197 -6.976 6.435 312 1HG1 VAL 41 HG11 VAL 41 -1.672 -4.927 5.666 313 2HG1 VAL 41 HG13 VAL 41 -2.135 -4.890 7.368 314 3HG1 VAL 41 HG12 VAL 41 -0.441 -4.715 6.912 315 1HG2 VAL 41 HG22 VAL 41 -2.365 -7.673 8.278 316 2HG2 VAL 41 HG21 VAL 41 -0.623 -7.875 8.467 317 3HG2 VAL 41 HG23 VAL 41 -1.379 -6.330 8.855 318 H SER 42 HN SER 42 -0.252 -6.056 4.799 319 HA SER 42 HA SER 42 -0.674 -6.750 2.020 320 1HB SER 42 HB2 SER 42 -1.218 -3.913 2.114 321 2HB SER 42 HB1 SER 42 -2.158 -5.193 1.349 322 HG SER 42 HG SER 42 -2.903 -3.831 3.368 323 H CYS 43 HN CYS 43 0.206 -4.346 0.887 324 HA CYS 43 HA CYS 43 3.043 -4.438 1.592 325 1HB CYS 43 HB2 CYS 43 1.380 -3.101 -0.513 326 2HB CYS 43 HB1 CYS 43 2.964 -2.421 -0.161 327 OH TYR 44 OH TYR 44 2.597 2.761 8.554 328 H TYR 44 HN TYR 44 4.248 -2.587 2.316 329 HA TYR 44 HA TYR 44 2.615 -0.411 3.530 330 1HB TYR 44 HB2 TYR 44 3.474 -2.258 5.157 331 2HB TYR 44 HB1 TYR 44 5.054 -1.514 4.916 332 HD1 TYR 44 HD2 TYR 44 1.554 -0.813 5.938 333 HD2 TYR 44 HD1 TYR 44 5.617 0.532 5.987 334 HE1 TYR 44 HE2 TYR 44 0.938 0.963 7.528 335 HE2 TYR 44 HE1 TYR 44 5.019 2.319 7.580 336 HH TYR 44 HH TYR 44 1.712 3.064 8.337 337 H CYS 45 HN CYS 45 3.299 1.497 2.681 338 HA CYS 45 HA CYS 45 6.113 1.639 1.693 339 1HB CYS 45 HB2 CYS 45 3.782 3.418 0.944 340 2HB CYS 45 HB1 CYS 45 5.370 3.390 0.193 341 OH TYR 46 OH TYR 46 7.053 0.812 8.049 342 H TYR 46 HN TYR 46 6.992 3.913 1.722 343 HA TYR 46 HA TYR 46 6.170 5.494 4.103 344 1HB TYR 46 HB2 TYR 46 8.950 4.462 3.515 345 2HB TYR 46 HB1 TYR 46 8.606 5.704 4.710 346 HD1 TYR 46 HD2 TYR 46 8.278 2.135 3.859 347 HD2 TYR 46 HD1 TYR 46 7.474 5.159 6.789 348 HE1 TYR 46 HE2 TYR 46 7.774 0.381 5.536 349 HE2 TYR 46 HE1 TYR 46 6.967 3.415 8.467 350 HH TYR 46 HH TYR 46 6.887 1.249 8.889 351 H GLY 47 HN GLY 47 5.650 7.368 3.007 352 1HA GLY 47 HA2 GLY 47 6.830 9.446 2.138 353 2HA GLY 47 HA1 GLY 47 7.642 8.366 1.003 354 H LEU 48 HN LEU 48 4.438 7.448 1.629 355 HA LEU 48 HA LEU 48 3.587 7.842 -1.068 356 1HB LEU 48 HB2 LEU 48 1.867 7.518 1.413 357 2HB LEU 48 HB1 LEU 48 1.383 7.178 -0.246 358 HG LEU 48 HG LEU 48 3.743 5.806 1.039 359 1HD1 LEU 48 HD11 LEU 48 1.335 5.541 2.138 360 2HD1 LEU 48 HD13 LEU 48 1.087 4.461 0.766 361 3HD1 LEU 48 HD12 LEU 48 2.390 4.146 1.912 362 1HD2 LEU 48 HD21 LEU 48 2.927 5.940 -1.570 363 2HD2 LEU 48 HD23 LEU 48 3.818 4.579 -0.888 364 3HD2 LEU 48 HD22 LEU 48 2.061 4.506 -1.020 365 HA PRO 49 HA PRO 49 2.269 11.983 -1.297 366 1HB PRO 49 HB2 PRO 49 -0.471 11.361 -2.052 367 2HB PRO 49 HB1 PRO 49 0.835 12.005 -3.057 368 1HG PRO 49 HG2 PRO 49 -0.229 9.367 -3.160 369 2HG PRO 49 HG1 PRO 49 1.213 9.957 -3.995 370 1HD PRO 49 HD2 PRO 49 1.060 8.159 -1.717 371 2HD PRO 49 HD1 PRO 49 2.495 8.636 -2.646 372 H ASP 50 HN ASP 50 1.095 13.545 -0.038 373 HA ASP 50 HA ASP 50 0.412 12.867 2.567 374 1HB ASP 50 HB2 ASP 50 0.199 15.198 0.873 375 2HB ASP 50 HB1 ASP 50 -1.167 15.074 1.974 376 H ASN 51 HN ASN 51 -1.956 13.751 0.095 377 HA ASN 51 HA ASN 51 -4.097 12.569 1.606 378 1HB ASN 51 HB2 ASN 51 -5.478 13.321 -0.282 379 2HB ASN 51 HB1 ASN 51 -4.449 14.611 0.312 380 1HD2 ASN 51 HD22 ASN 51 -3.943 14.811 -3.290 381 2HD2 ASN 51 HD21 ASN 51 -5.065 15.284 -2.106 382 H SER 52 HN SER 52 -1.786 10.992 0.082 383 HA SER 52 HA SER 52 -2.842 9.413 -1.951 384 1HB SER 52 HB2 SER 52 -0.805 8.492 -1.626 385 2HB SER 52 HB1 SER 52 -0.734 9.095 0.022 386 HG SER 52 HG SER 52 -1.711 6.660 -0.973 387 HA PRO 53 HA PRO 53 -6.372 7.549 -0.032 388 1HB PRO 53 HB2 PRO 53 -6.536 5.542 -2.051 389 2HB PRO 53 HB1 PRO 53 -7.447 7.057 -1.973 390 1HG PRO 53 HG2 PRO 53 -5.308 6.362 -3.793 391 2HG PRO 53 HG1 PRO 53 -6.256 7.854 -3.745 392 1HD PRO 53 HD2 PRO 53 -3.517 7.463 -2.909 393 2HD PRO 53 HD1 PRO 53 -4.459 8.967 -2.898 394 H THR 54 HN THR 54 -5.866 6.323 1.783 395 HA THR 54 HA THR 54 -4.490 3.712 1.300 396 HB THR 54 HB THR 54 -3.363 3.939 3.431 397 HG1 THR 54 HG1 THR 54 -3.707 5.801 4.682 398 1HG2 THR 54 HG23 THR 54 -3.223 6.410 1.693 399 2HG2 THR 54 HG22 THR 54 -2.087 6.088 3.001 400 3HG2 THR 54 HG21 THR 54 -2.180 4.988 1.627 401 H LYS 55 HN LYS 55 -4.954 2.146 3.172 402 HA LYS 55 HA LYS 55 -7.574 1.371 3.309 403 1HB LYS 55 HB2 LYS 55 -5.276 1.063 5.175 404 2HB LYS 55 HB1 LYS 55 -6.871 0.646 5.802 405 1HG LYS 55 HG2 LYS 55 -6.023 -0.378 3.107 406 2HG LYS 55 HG1 LYS 55 -5.455 -1.189 4.566 407 1HD LYS 55 HD2 LYS 55 -7.537 -1.980 5.104 408 2HD LYS 55 HD1 LYS 55 -8.358 -0.556 4.462 409 1HE LYS 55 HE2 LYS 55 -7.379 -1.555 2.161 410 2HE LYS 55 HE1 LYS 55 -7.534 -3.057 3.072 411 1HZ LYS 55 HZ2 LYS 55 -9.835 -1.507 3.493 412 2HZ LYS 55 HZ1 LYS 55 -9.551 -1.590 1.819 413 3HZ LYS 55 HZ3 LYS 55 -9.704 -3.016 2.724 414 H THR 56 HN THR 56 -9.428 2.161 4.165 415 HA THR 56 HA THR 56 -9.251 4.196 6.337 416 HB THR 56 HB THR 56 -10.809 4.311 3.761 417 HG1 THR 56 HG1 THR 56 -9.571 6.465 5.021 418 1HG2 THR 56 HG21 THR 56 -11.511 5.436 6.437 419 2HG2 THR 56 HG23 THR 56 -11.767 6.458 5.021 420 3HG2 THR 56 HG22 THR 56 -12.568 4.890 5.135 421 H SER 57 HN SER 57 -11.788 2.549 4.543 422 HA SER 57 HA SER 57 -12.562 0.889 6.755 423 1HB SER 57 HB2 SER 57 -14.738 1.916 7.214 424 2HB SER 57 HB1 SER 57 -13.456 3.083 7.521 425 HG SER 57 HG SER 57 -14.273 4.282 6.012 426 H GLY 58 HN GLY 58 -11.974 -0.107 4.453 427 1HA GLY 58 HA2 GLY 58 -14.569 -0.900 3.279 428 2HA GLY 58 HA1 GLY 58 -13.384 -0.198 2.175 429 H LYS 59 HN LYS 59 -13.851 -2.597 1.368 430 HA LYS 59 HA LYS 59 -11.594 -4.228 2.430 431 1HB LYS 59 HB2 LYS 59 -13.003 -6.271 2.158 432 2HB LYS 59 HB1 LYS 59 -13.607 -5.182 3.408 433 1HG LYS 59 HG2 LYS 59 -15.339 -4.353 1.990 434 2HG LYS 59 HG1 LYS 59 -14.613 -5.083 0.557 435 1HD LYS 59 HD2 LYS 59 -15.239 -7.258 1.191 436 2HD LYS 59 HD1 LYS 59 -15.469 -6.799 2.879 437 1HE LYS 59 HE2 LYS 59 -17.180 -5.281 1.046 438 2HE LYS 59 HE1 LYS 59 -17.485 -7.019 0.991 439 1HZ LYS 59 HZ2 LYS 59 -17.322 -5.449 3.504 440 2HZ LYS 59 HZ1 LYS 59 -18.780 -5.800 2.705 441 3HZ LYS 59 HZ3 LYS 59 -17.832 -7.060 3.329 442 H CYS 60 HN CYS 60 -12.036 -2.514 -0.001 443 HA CYS 60 HA CYS 60 -11.422 -2.625 -2.262 444 1HB CYS 60 HB2 CYS 60 -9.574 -4.039 -1.420 445 2HB CYS 60 HB1 CYS 60 -10.613 -5.455 -1.531 446 H ASN 61 HN ASN 61 -13.521 -2.474 -3.122 447 HA ASN 61 HA ASN 61 -14.643 -5.064 -4.073 448 1HB ASN 61 HB2 ASN 61 -15.859 -3.923 -2.021 449 2HB ASN 61 HB1 ASN 61 -16.514 -2.862 -3.265 450 1HD2 ASN 61 HD22 ASN 61 -18.887 -5.243 -4.265 451 2HD2 ASN 61 HD21 ASN 61 -18.418 -3.613 -4.168 452 HA PRO 62 HA PRO 62 -14.314 -2.805 -7.883 453 1HB PRO 62 HB2 PRO 62 -16.132 -4.664 -9.133 454 2HB PRO 62 HB1 PRO 62 -14.375 -4.567 -9.312 455 1HG PRO 62 HG2 PRO 62 -15.873 -6.569 -7.895 456 2HG PRO 62 HG1 PRO 62 -14.115 -6.432 -8.031 457 1HD PRO 62 HD2 PRO 62 -15.759 -5.903 -5.716 458 2HD PRO 62 HD1 PRO 62 -13.992 -5.799 -5.850 459 H ALA 63 HN ALA 63 -15.478 -0.928 -7.950 460 HA ALA 63 HA ALA 63 -18.210 -0.878 -8.802 461 1HB ALA 63 HB2 ALA 63 -18.597 -1.619 -6.458 462 2HB ALA 63 HB1 ALA 63 -17.764 -0.175 -5.884 463 3HB ALA 63 HB3 ALA 63 -19.281 -0.024 -6.770 Start of MODEL 2 Raw file had 463 H/Q atoms Start of MODEL 2 1 1H LYS 1 HT3 LYS 1 3.398 14.096 3.860 2 2H LYS 1 HT2 LYS 1 4.809 14.247 2.925 3 3H LYS 1 HT1 LYS 1 3.287 14.534 2.225 4 HA LYS 1 HA LYS 1 2.962 12.400 1.771 5 1HB LYS 1 HB2 LYS 1 5.793 12.063 2.801 6 2HB LYS 1 HB1 LYS 1 4.970 11.037 1.626 7 1HG LYS 1 HG2 LYS 1 5.367 12.477 -0.076 8 2HG LYS 1 HG1 LYS 1 4.939 13.881 0.901 9 1HD LYS 1 HD2 LYS 1 7.097 14.230 1.596 10 2HD LYS 1 HD1 LYS 1 7.487 12.510 1.590 11 1HE LYS 1 HE2 LYS 1 6.890 13.603 -1.077 12 2HE LYS 1 HE1 LYS 1 8.317 14.308 -0.317 13 1HZ LYS 1 HZ3 LYS 1 8.221 11.489 0.058 14 2HZ LYS 1 HZ2 LYS 1 8.169 11.886 -1.594 15 3HZ LYS 1 HZ1 LYS 1 9.449 12.442 -0.623 16 H LYS 2 HN LYS 2 3.277 10.003 2.727 17 HA LYS 2 HA LYS 2 3.372 9.828 5.629 18 1HB LYS 2 HB2 LYS 2 0.986 9.172 5.914 19 2HB LYS 2 HB1 LYS 2 1.159 10.849 5.395 20 1HG LYS 2 HG2 LYS 2 -0.366 10.247 3.811 21 2HG LYS 2 HG1 LYS 2 1.052 9.600 2.983 22 1HD LYS 2 HD2 LYS 2 0.438 7.442 3.357 23 2HD LYS 2 HD1 LYS 2 -0.109 7.788 5.000 24 1HE LYS 2 HE2 LYS 2 -1.970 7.125 3.445 25 2HE LYS 2 HE1 LYS 2 -2.192 8.712 4.178 26 1HZ LYS 2 HZ2 LYS 2 -0.694 8.960 1.803 27 2HZ LYS 2 HZ1 LYS 2 -2.120 8.098 1.477 28 3HZ LYS 2 HZ3 LYS 2 -2.205 9.636 2.185 29 H ASP 3 HN ASP 3 3.157 7.598 6.349 30 HA ASP 3 HA ASP 3 3.763 5.653 4.186 31 1HB ASP 3 HB2 ASP 3 3.805 4.899 7.063 32 2HB ASP 3 HB1 ASP 3 4.946 4.487 5.782 33 H GLY 4 HN GLY 4 2.606 3.548 4.225 34 1HA GLY 4 HA2 GLY 4 0.612 2.646 5.862 35 2HA GLY 4 HA1 GLY 4 -0.223 3.911 4.965 36 OH TYR 5 OH TYR 5 0.040 -2.931 7.924 37 H TYR 5 HN TYR 5 -1.379 1.650 4.527 38 HA TYR 5 HA TYR 5 -0.121 0.104 2.373 39 1HB TYR 5 HB2 TYR 5 -2.961 -0.045 3.424 40 2HB TYR 5 HB1 TYR 5 -2.137 -1.256 2.445 41 HD1 TYR 5 HD2 TYR 5 -2.353 0.304 5.782 42 HD2 TYR 5 HD1 TYR 5 -0.450 -2.721 3.399 43 HE1 TYR 5 HE2 TYR 5 -1.461 -0.757 7.840 44 HE2 TYR 5 HE1 TYR 5 0.440 -3.780 5.455 45 HH TYR 5 HH TYR 5 0.930 -2.602 8.068 46 HA PRO 6 HA PRO 6 -1.818 3.089 -0.545 47 1HB PRO 6 HB2 PRO 6 -0.674 1.600 -2.697 48 2HB PRO 6 HB1 PRO 6 -0.050 3.088 -1.972 49 1HG PRO 6 HG2 PRO 6 1.044 0.428 -1.750 50 2HG PRO 6 HG1 PRO 6 1.656 1.922 -1.031 51 1HD PRO 6 HD2 PRO 6 0.292 -0.267 0.291 52 2HD PRO 6 HD1 PRO 6 0.997 1.191 1.019 53 H VAL 7 HN VAL 7 -3.961 2.833 -1.113 54 HA VAL 7 HA VAL 7 -4.771 0.152 -2.177 55 HB VAL 7 HB VAL 7 -7.038 0.658 -1.387 56 1HG1 VAL 7 HG13 VAL 7 -4.847 1.027 0.671 57 2HG1 VAL 7 HG12 VAL 7 -6.531 0.690 1.075 58 3HG1 VAL 7 HG11 VAL 7 -5.586 -0.493 0.171 59 1HG2 VAL 7 HG22 VAL 7 -6.721 3.177 -1.663 60 2HG2 VAL 7 HG21 VAL 7 -7.572 2.669 -0.206 61 3HG2 VAL 7 HG23 VAL 7 -5.880 3.142 -0.118 62 H ASP 8 HN ASP 8 -5.692 0.077 -4.187 63 HA ASP 8 HA ASP 8 -5.376 2.199 -6.023 64 1HB ASP 8 HB2 ASP 8 -7.298 0.909 -7.285 65 2HB ASP 8 HB1 ASP 8 -5.728 0.138 -7.055 66 H SER 9 HN SER 9 -7.719 2.753 -7.310 67 HA SER 9 HA SER 9 -8.901 4.763 -5.616 68 1HB SER 9 HB2 SER 9 -10.653 4.629 -7.656 69 2HB SER 9 HB1 SER 9 -9.084 5.415 -7.814 70 HG SER 9 HG SER 9 -8.923 4.009 -9.401 71 H GLY 10 HN GLY 10 -9.411 1.434 -5.784 72 1HA GLY 10 HA2 GLY 10 -12.271 1.642 -4.994 73 2HA GLY 10 HA1 GLY 10 -11.435 0.149 -5.419 74 H ASN 11 HN ASN 11 -9.304 1.726 -3.494 75 HA ASN 11 HA ASN 11 -8.831 1.697 -1.185 76 1HB ASN 11 HB2 ASN 11 -11.583 1.831 -1.204 77 2HB ASN 11 HB1 ASN 11 -11.290 0.328 -0.330 78 1HD2 ASN 11 HD22 ASN 11 -10.600 2.134 2.601 79 2HD2 ASN 11 HD21 ASN 11 -11.350 0.798 1.868 80 H CYS 12 HN CYS 12 -8.044 -0.351 -2.924 81 HA CYS 12 HA CYS 12 -8.260 -2.755 -1.159 82 1HB CYS 12 HB2 CYS 12 -8.329 -2.426 -4.098 83 2HB CYS 12 HB1 CYS 12 -7.321 -3.750 -3.514 84 H LYS 13 HN LYS 13 -6.425 -3.126 -0.060 85 HA LYS 13 HA LYS 13 -3.990 -1.691 -0.516 86 1HB LYS 13 HB2 LYS 13 -4.372 -4.275 1.022 87 2HB LYS 13 HB1 LYS 13 -3.039 -3.136 1.205 88 1HG LYS 13 HG2 LYS 13 -4.815 -1.381 1.779 89 2HG LYS 13 HG1 LYS 13 -5.946 -2.727 1.923 90 1HD LYS 13 HD2 LYS 13 -3.341 -2.989 3.351 91 2HD LYS 13 HD1 LYS 13 -4.512 -1.850 4.018 92 1HE LYS 13 HE2 LYS 13 -4.860 -4.049 5.028 93 2HE LYS 13 HE1 LYS 13 -6.233 -3.664 3.993 94 1HZ LYS 13 HZ2 LYS 13 -4.028 -5.035 2.703 95 2HZ LYS 13 HZ1 LYS 13 -4.883 -5.947 3.855 96 3HZ LYS 13 HZ3 LYS 13 -5.703 -5.266 2.536 97 OH TYR 14 OH TYR 14 -3.372 0.768 -6.983 98 H TYR 14 HN TYR 14 -2.249 -2.172 -1.802 99 HA TYR 14 HA TYR 14 -2.409 -4.389 -3.678 100 1HB TYR 14 HB2 TYR 14 -0.109 -2.529 -2.971 101 2HB TYR 14 HB1 TYR 14 -0.091 -3.674 -4.311 102 HD1 TYR 14 HD1 TYR 14 -1.897 -3.458 -6.115 103 HD2 TYR 14 HD2 TYR 14 -1.105 -0.403 -3.204 104 HE1 TYR 14 HE1 TYR 14 -3.051 -1.795 -7.549 105 HE2 TYR 14 HE2 TYR 14 -2.259 1.262 -4.635 106 HH TYR 14 HH TYR 14 -3.917 0.292 -7.613 107 H GLU 15 HN GLU 15 -2.276 -6.408 -2.733 108 HA GLU 15 HA GLU 15 -1.107 -7.186 -0.354 109 1HB GLU 15 HB2 GLU 15 -1.196 -8.709 -2.961 110 2HB GLU 15 HB1 GLU 15 -0.754 -9.437 -1.417 111 1HG GLU 15 HG2 GLU 15 -3.176 -7.921 -1.085 112 2HG GLU 15 HG1 GLU 15 -3.367 -9.028 -2.446 113 H CYS 16 HN CYS 16 0.928 -8.756 -0.270 114 HA CYS 16 HA CYS 16 3.169 -7.700 -1.888 115 1HB CYS 16 HB2 CYS 16 4.477 -7.006 -0.008 116 2HB CYS 16 HB1 CYS 16 2.891 -6.263 0.192 117 H LEU 17 HN LEU 17 5.032 -9.082 -1.837 118 HA LEU 17 HA LEU 17 4.723 -11.657 -0.374 119 1HB LEU 17 HB2 LEU 17 5.728 -12.637 -2.649 120 2HB LEU 17 HB1 LEU 17 3.989 -12.484 -2.408 121 HG LEU 17 HG LEU 17 5.595 -10.228 -3.600 122 1HD1 LEU 17 HD13 LEU 17 5.713 -12.606 -4.794 123 2HD1 LEU 17 HD12 LEU 17 4.099 -12.150 -5.341 124 3HD1 LEU 17 HD11 LEU 17 5.483 -11.130 -5.732 125 1HD2 LEU 17 HD23 LEU 17 2.886 -10.653 -2.851 126 2HD2 LEU 17 HD22 LEU 17 3.561 -9.258 -3.693 127 3HD2 LEU 17 HD21 LEU 17 2.927 -10.624 -4.614 128 H LYS 18 HN LYS 18 6.785 -9.518 -2.309 129 HA LYS 18 HA LYS 18 9.128 -10.515 -0.736 130 1HB LYS 18 HB2 LYS 18 8.810 -9.934 -3.650 131 2HB LYS 18 HB1 LYS 18 10.348 -9.505 -2.899 132 1HG LYS 18 HG2 LYS 18 10.854 -11.686 -3.378 133 2HG LYS 18 HG1 LYS 18 10.011 -11.979 -1.857 134 1HD LYS 18 HD2 LYS 18 8.928 -13.462 -3.312 135 2HD LYS 18 HD1 LYS 18 7.867 -12.053 -3.359 136 1HE LYS 18 HE2 LYS 18 8.430 -11.534 -5.513 137 2HE LYS 18 HE1 LYS 18 10.106 -12.042 -5.302 138 1HZ LYS 18 HZ2 LYS 18 8.166 -14.175 -5.132 139 2HZ LYS 18 HZ1 LYS 18 8.258 -13.434 -6.659 140 3HZ LYS 18 HZ3 LYS 18 9.648 -14.115 -5.963 141 H ASP 19 HN ASP 19 10.643 -8.861 -0.099 142 HA ASP 19 HA ASP 19 9.441 -6.349 0.584 143 1HB ASP 19 HB2 ASP 19 11.657 -7.701 1.424 144 2HB ASP 19 HB1 ASP 19 12.392 -6.430 0.448 145 H ASP 20 HN ASP 20 11.018 -7.457 -2.278 146 HA ASP 20 HA ASP 20 11.744 -4.781 -3.223 147 1HB ASP 20 HB2 ASP 20 11.882 -6.247 -5.452 148 2HB ASP 20 HB1 ASP 20 13.159 -6.298 -4.247 149 OH TYR 21 OH TYR 21 1.538 -5.738 -6.625 150 H TYR 21 HN TYR 21 8.964 -6.865 -3.304 151 HA TYR 21 HA TYR 21 7.718 -5.613 -5.620 152 1HB TYR 21 HB2 TYR 21 7.037 -7.864 -4.911 153 2HB TYR 21 HB1 TYR 21 6.515 -7.230 -3.350 154 HD1 TYR 21 HD1 TYR 21 5.966 -6.748 -7.030 155 HD2 TYR 21 HD2 TYR 21 4.295 -6.510 -3.079 156 HE1 TYR 21 HE1 TYR 21 3.749 -6.196 -7.996 157 HE2 TYR 21 HE2 TYR 21 2.081 -5.956 -4.054 158 HH TYR 21 HH TYR 21 1.432 -4.784 -6.606 159 H CYS 22 HN CYS 22 7.751 -5.080 -2.139 160 HA CYS 22 HA CYS 22 5.648 -3.057 -2.213 161 1HB CYS 22 HB2 CYS 22 7.708 -3.788 -0.116 162 2HB CYS 22 HB1 CYS 22 6.480 -2.549 0.117 163 H ASN 23 HN ASN 23 9.188 -2.975 -1.770 164 HA ASN 23 HA ASN 23 9.507 -0.168 -1.709 165 1HB ASN 23 HB2 ASN 23 11.185 -2.160 -1.404 166 2HB ASN 23 HB1 ASN 23 11.447 -1.985 -3.128 167 1HD2 ASN 23 HD22 ASN 23 13.947 0.344 -1.974 168 2HD2 ASN 23 HD21 ASN 23 13.717 -1.273 -2.436 169 H ASP 24 HN ASP 24 9.508 -2.397 -4.468 170 HA ASP 24 HA ASP 24 9.945 -0.362 -6.462 171 1HB ASP 24 HB2 ASP 24 10.132 -2.914 -6.730 172 2HB ASP 24 HB1 ASP 24 8.383 -2.909 -6.910 173 H LEU 25 HN LEU 25 6.924 -2.211 -6.078 174 HA LEU 25 HA LEU 25 5.176 -0.528 -7.381 175 1HB LEU 25 HB2 LEU 25 4.335 -2.587 -6.536 176 2HB LEU 25 HB1 LEU 25 4.811 -2.196 -4.888 177 HG LEU 25 HG LEU 25 3.094 -0.118 -5.521 178 1HD1 LEU 25 HD11 LEU 25 2.649 -2.076 -7.470 179 2HD1 LEU 25 HD13 LEU 25 1.368 -2.331 -6.285 180 3HD1 LEU 25 HD12 LEU 25 1.561 -0.752 -7.049 181 1HD2 LEU 25 HD23 LEU 25 3.317 -1.811 -3.514 182 2HD2 LEU 25 HD22 LEU 25 1.765 -1.036 -3.826 183 3HD2 LEU 25 HD21 LEU 25 2.048 -2.691 -4.366 184 H CYS 26 HN CYS 26 6.687 -0.012 -4.286 185 HA CYS 26 HA CYS 26 5.009 2.097 -3.366 186 1HB CYS 26 HB2 CYS 26 7.668 0.943 -2.674 187 2HB CYS 26 HB1 CYS 26 7.306 2.533 -2.055 188 H LEU 27 HN LEU 27 8.197 2.056 -4.946 189 HA LEU 27 HA LEU 27 8.511 4.854 -5.141 190 1HB LEU 27 HB2 LEU 27 9.579 2.526 -6.731 191 2HB LEU 27 HB1 LEU 27 9.983 4.187 -7.169 192 HG LEU 27 HG LEU 27 10.264 3.482 -4.297 193 1HD1 LEU 27 HD13 LEU 27 11.169 1.516 -5.718 194 2HD1 LEU 27 HD12 LEU 27 12.423 2.645 -6.233 195 3HD1 LEU 27 HD11 LEU 27 12.254 2.232 -4.527 196 1HD2 LEU 27 HD21 LEU 27 11.043 5.544 -6.054 197 2HD2 LEU 27 HD23 LEU 27 11.496 5.369 -4.359 198 3HD2 LEU 27 HD22 LEU 27 12.533 4.705 -5.623 199 H GLU 28 HN GLU 28 6.859 2.521 -7.205 200 HA GLU 28 HA GLU 28 6.344 4.173 -9.417 201 1HB GLU 28 HB2 GLU 28 5.299 1.674 -8.328 202 2HB GLU 28 HB1 GLU 28 4.071 2.609 -9.184 203 1HG GLU 28 HG2 GLU 28 6.801 1.894 -10.297 204 2HG GLU 28 HG1 GLU 28 5.294 1.072 -10.706 205 NH1 ARG 29 NH2 ARG 29 0.470 2.999 -7.154 206 NH2 ARG 29 NH1 ARG 29 -0.133 0.823 -7.207 207 H ARG 29 HN ARG 29 4.538 3.732 -6.434 208 HA ARG 29 HA ARG 29 2.416 5.517 -7.110 209 1HB ARG 29 HB2 ARG 29 3.297 5.085 -4.276 210 2HB ARG 29 HB1 ARG 29 1.661 5.257 -4.913 211 1HG ARG 29 HG2 ARG 29 2.478 3.039 -6.259 212 2HG ARG 29 HG1 ARG 29 3.380 2.852 -4.755 213 1HD ARG 29 HD2 ARG 29 1.507 2.474 -3.533 214 2HD ARG 29 HD1 ARG 29 0.575 3.692 -4.394 215 HE ARG 29 HE ARG 29 0.441 0.879 -4.826 216 1HH1 ARG 29 HH21 ARG 29 0.795 3.796 -6.649 217 2HH1 ARG 29 HH22 ARG 29 0.241 3.082 -8.123 218 1HH2 ARG 29 HH11 ARG 29 -0.269 -0.051 -6.739 219 2HH2 ARG 29 HH12 ARG 29 -0.355 0.910 -8.179 220 H LYS 30 HN LYS 30 5.560 5.952 -5.762 221 HA LYS 30 HA LYS 30 6.666 8.170 -6.170 222 1HB LYS 30 HB2 LYS 30 5.584 10.204 -5.525 223 2HB LYS 30 HB1 LYS 30 4.404 9.321 -6.487 224 1HG LYS 30 HG2 LYS 30 2.973 9.461 -4.743 225 2HG LYS 30 HG1 LYS 30 4.065 8.423 -3.825 226 1HD LYS 30 HD2 LYS 30 3.768 10.418 -2.527 227 2HD LYS 30 HD1 LYS 30 5.381 10.522 -3.235 228 1HE LYS 30 HE2 LYS 30 4.030 11.723 -5.203 229 2HE LYS 30 HE1 LYS 30 2.911 12.076 -3.887 230 1HZ LYS 30 HZ3 LYS 30 5.039 12.798 -2.655 231 2HZ LYS 30 HZ2 LYS 30 5.717 12.906 -4.209 232 3HZ LYS 30 HZ1 LYS 30 4.360 13.843 -3.804 233 H ALA 31 HN ALA 31 5.831 6.089 -3.865 234 HA ALA 31 HA ALA 31 6.527 7.586 -1.467 235 1HB ALA 31 HB3 ALA 31 5.735 4.827 -2.139 236 2HB ALA 31 HB2 ALA 31 6.856 4.954 -0.785 237 3HB ALA 31 HB1 ALA 31 5.316 5.811 -0.736 238 H ASP 32 HN ASP 32 8.438 7.178 -0.177 239 HA ASP 32 HA ASP 32 10.862 7.091 -1.719 240 1HB ASP 32 HB2 ASP 32 10.356 8.355 0.502 241 2HB ASP 32 HB1 ASP 32 10.728 6.821 1.275 242 H LYS 33 HN LYS 33 9.619 5.065 0.938 243 HA LYS 33 HA LYS 33 10.804 2.686 -0.414 244 1HB LYS 33 HB2 LYS 33 11.809 1.931 1.733 245 2HB LYS 33 HB1 LYS 33 12.531 3.434 1.155 246 1HG LYS 33 HG2 LYS 33 12.078 4.229 3.233 247 2HG LYS 33 HG1 LYS 33 10.414 4.351 2.659 248 1HD LYS 33 HD2 LYS 33 10.188 3.093 4.630 249 2HD LYS 33 HD1 LYS 33 10.230 1.852 3.378 250 1HE LYS 33 HE2 LYS 33 12.905 2.207 3.921 251 2HE LYS 33 HE1 LYS 33 12.172 2.428 5.511 252 1HZ LYS 33 HZ1 LYS 33 11.154 0.210 3.938 253 2HZ LYS 33 HZ3 LYS 33 12.752 0.048 4.482 254 3HZ LYS 33 HZ2 LYS 33 11.497 0.299 5.600 255 H GLY 34 HN GLY 34 10.091 0.630 0.817 256 1HA GLY 34 HA2 GLY 34 7.816 0.722 2.560 257 2HA GLY 34 HA1 GLY 34 7.282 0.479 0.900 258 OH TYR 35 OH TYR 35 6.752 -0.780 8.513 259 H TYR 35 HN TYR 35 7.302 -1.392 3.289 260 HA TYR 35 HA TYR 35 8.832 -3.579 1.939 261 1HB TYR 35 HB2 TYR 35 8.932 -4.629 4.281 262 2HB TYR 35 HB1 TYR 35 10.010 -3.284 3.953 263 HD1 TYR 35 HD1 TYR 35 6.368 -3.528 4.910 264 HD2 TYR 35 HD2 TYR 35 10.251 -1.929 5.833 265 HE1 TYR 35 HE1 TYR 35 5.413 -2.321 6.840 266 HE2 TYR 35 HE2 TYR 35 9.288 -0.723 7.770 267 HH TYR 35 HH TYR 35 7.093 -1.191 9.311 268 H CYS 36 HN CYS 36 7.969 -5.777 2.748 269 HA CYS 36 HA CYS 36 5.055 -5.770 2.276 270 1HB CYS 36 HB2 CYS 36 6.281 -7.202 0.866 271 2HB CYS 36 HB1 CYS 36 7.238 -7.839 2.191 272 OH TYR 37 OH TYR 37 2.606 -6.369 12.225 273 H TYR 37 HN TYR 37 3.876 -5.557 4.095 274 HA TYR 37 HA TYR 37 4.752 -6.936 6.576 275 1HB TYR 37 HB2 TYR 37 3.989 -4.490 6.554 276 2HB TYR 37 HB1 TYR 37 2.367 -5.096 6.227 277 HD1 TYR 37 HD2 TYR 37 5.235 -5.845 8.538 278 HD2 TYR 37 HD1 TYR 37 0.986 -5.427 8.071 279 HE1 TYR 37 HE2 TYR 37 4.926 -6.298 10.957 280 HE2 TYR 37 HE1 TYR 37 0.676 -5.879 10.489 281 HH TYR 37 HH TYR 37 1.767 -6.820 12.337 282 CH2 TRP 38 CH2 TRP 38 1.134 -13.962 1.423 283 H TRP 38 HN TRP 38 4.184 -9.076 6.277 284 HA TRP 38 HA TRP 38 1.765 -9.879 4.926 285 1HB TRP 38 HB2 TRP 38 4.030 -11.226 6.258 286 2HB TRP 38 HB1 TRP 38 2.510 -12.119 6.279 287 HD1 TRP 38 HD1 TRP 38 5.143 -10.742 3.899 288 HE1 TRP 38 HE1 TRP 38 4.754 -11.757 1.558 289 HE3 TRP 38 HE3 TRP 38 0.703 -13.128 4.700 290 HZ2 TRP 38 HZ2 TRP 38 2.810 -13.367 0.207 291 HZ3 TRP 38 HZ3 TRP 38 -0.397 -14.392 2.875 292 HH2 TRP 38 HH2 TRP 38 0.651 -14.515 0.631 293 H GLY 39 HN GLY 39 2.142 -11.608 7.909 294 1HA GLY 39 HA2 GLY 39 0.506 -11.966 9.570 295 2HA GLY 39 HA1 GLY 39 0.517 -10.201 9.696 296 H LYS 40 HN LYS 40 -0.318 -11.856 6.735 297 HA LYS 40 HA LYS 40 -2.310 -11.931 5.510 298 1HB LYS 40 HB2 LYS 40 -3.187 -12.108 8.338 299 2HB LYS 40 HB1 LYS 40 -4.416 -11.549 7.203 300 1HG LYS 40 HG2 LYS 40 -2.816 -14.118 7.032 301 2HG LYS 40 HG1 LYS 40 -4.548 -13.967 7.325 302 1HD LYS 40 HD2 LYS 40 -4.499 -12.645 5.031 303 2HD LYS 40 HD1 LYS 40 -3.016 -13.568 4.780 304 1HE LYS 40 HE2 LYS 40 -4.751 -14.916 3.866 305 2HE LYS 40 HE1 LYS 40 -4.377 -15.640 5.430 306 1HZ LYS 40 HZ3 LYS 40 -6.242 -13.761 6.023 307 2HZ LYS 40 HZ2 LYS 40 -6.786 -14.373 4.534 308 3HZ LYS 40 HZ1 LYS 40 -6.538 -15.421 5.848 309 H VAL 41 HN VAL 41 -0.972 -9.603 5.435 310 HA VAL 41 HA VAL 41 -3.145 -7.567 5.585 311 HB VAL 41 HB VAL 41 -0.214 -7.124 6.216 312 1HG1 VAL 41 HG13 VAL 41 -1.662 -5.246 5.143 313 2HG1 VAL 41 HG12 VAL 41 -2.492 -5.211 6.699 314 3HG1 VAL 41 HG11 VAL 41 -0.763 -4.871 6.612 315 1HG2 VAL 41 HG23 VAL 41 -2.690 -7.388 7.935 316 2HG2 VAL 41 HG22 VAL 41 -1.194 -8.313 8.047 317 3HG2 VAL 41 HG21 VAL 41 -1.216 -6.614 8.515 318 H SER 42 HN SER 42 -0.165 -6.308 4.482 319 HA SER 42 HA SER 42 -0.284 -7.172 1.721 320 1HB SER 42 HB2 SER 42 -1.994 -4.911 2.573 321 2HB SER 42 HB1 SER 42 -1.013 -4.615 1.143 322 HG SER 42 HG SER 42 -3.240 -5.806 1.114 323 H CYS 43 HN CYS 43 0.648 -4.915 0.442 324 HA CYS 43 HA CYS 43 3.382 -4.745 1.351 325 1HB CYS 43 HB2 CYS 43 1.785 -3.770 -0.911 326 2HB CYS 43 HB1 CYS 43 2.993 -2.603 -0.386 327 OH TYR 44 OH TYR 44 1.832 2.383 8.116 328 H TYR 44 HN TYR 44 4.409 -2.506 1.701 329 HA TYR 44 HA TYR 44 2.578 -0.571 3.028 330 1HB TYR 44 HB2 TYR 44 3.728 -2.306 4.663 331 2HB TYR 44 HB1 TYR 44 5.134 -1.268 4.438 332 HD1 TYR 44 HD2 TYR 44 1.716 -1.497 5.738 333 HD2 TYR 44 HD1 TYR 44 5.118 1.090 5.234 334 HE1 TYR 44 HE2 TYR 44 0.742 0.101 7.351 335 HE2 TYR 44 HE1 TYR 44 4.141 2.681 6.856 336 HH TYR 44 HH TYR 44 1.696 3.220 7.666 337 H CYS 45 HN CYS 45 3.136 1.487 2.364 338 HA CYS 45 HA CYS 45 5.847 1.802 1.159 339 1HB CYS 45 HB2 CYS 45 3.276 3.303 0.680 340 2HB CYS 45 HB1 CYS 45 4.828 3.880 0.097 341 OH TYR 46 OH TYR 46 6.698 1.502 8.161 342 H TYR 46 HN TYR 46 6.529 4.180 1.216 343 HA TYR 46 HA TYR 46 5.941 5.551 3.762 344 1HB TYR 46 HB2 TYR 46 8.570 4.282 3.037 345 2HB TYR 46 HB1 TYR 46 8.520 5.691 4.091 346 HD1 TYR 46 HD1 TYR 46 7.384 5.574 6.268 347 HD2 TYR 46 HD2 TYR 46 7.797 2.114 3.781 348 HE1 TYR 46 HE1 TYR 46 6.834 4.135 8.203 349 HE2 TYR 46 HE2 TYR 46 7.247 0.660 5.714 350 HH TYR 46 HH TYR 46 5.819 1.144 8.022 351 H GLY 47 HN GLY 47 5.124 7.053 2.091 352 1HA GLY 47 HA2 GLY 47 6.388 9.352 1.583 353 2HA GLY 47 HA1 GLY 47 7.164 8.339 0.371 354 H LEU 48 HN LEU 48 3.786 7.942 1.309 355 HA LEU 48 HA LEU 48 2.991 8.464 -1.487 356 1HB LEU 48 HB2 LEU 48 1.294 7.615 0.886 357 2HB LEU 48 HB1 LEU 48 0.820 7.565 -0.811 358 HG LEU 48 HG LEU 48 3.073 5.960 0.447 359 1HD1 LEU 48 HD13 LEU 48 0.230 5.510 0.191 360 2HD1 LEU 48 HD12 LEU 48 1.115 4.323 -0.767 361 3HD1 LEU 48 HD11 LEU 48 1.447 4.490 0.957 362 1HD2 LEU 48 HD21 LEU 48 3.356 6.715 -1.980 363 2HD2 LEU 48 HD23 LEU 48 3.389 4.974 -1.711 364 3HD2 LEU 48 HD22 LEU 48 1.936 5.740 -2.353 365 HA PRO 49 HA PRO 49 1.549 12.539 -0.906 366 1HB PRO 49 HB2 PRO 49 -1.117 12.034 -1.936 367 2HB PRO 49 HB1 PRO 49 0.229 12.868 -2.725 368 1HG PRO 49 HG2 PRO 49 -0.779 10.265 -3.351 369 2HG PRO 49 HG1 PRO 49 0.645 11.054 -4.040 370 1HD PRO 49 HD2 PRO 49 0.565 8.834 -2.181 371 2HD PRO 49 HD1 PRO 49 1.989 9.588 -2.926 372 H ASP 50 HN ASP 50 0.204 13.759 0.577 373 HA ASP 50 HA ASP 50 -0.614 12.394 2.898 374 1HB ASP 50 HB2 ASP 50 -0.832 15.147 1.823 375 2HB ASP 50 HB1 ASP 50 -1.935 14.719 3.120 376 H ASN 51 HN ASN 51 -2.453 13.678 0.207 377 HA ASN 51 HA ASN 51 -4.960 12.711 1.271 378 1HB ASN 51 HB2 ASN 51 -5.760 13.548 -1.034 379 2HB ASN 51 HB1 ASN 51 -5.167 14.741 0.103 380 1HD2 ASN 51 HD22 ASN 51 -3.306 15.793 -2.750 381 2HD2 ASN 51 HD21 ASN 51 -4.733 16.056 -1.867 382 H SER 52 HN SER 52 -2.481 11.082 -0.045 383 HA SER 52 HA SER 52 -3.609 9.587 -2.188 384 1HB SER 52 HB2 SER 52 -1.365 9.121 -2.028 385 2HB SER 52 HB1 SER 52 -1.370 9.186 -0.269 386 HG SER 52 HG SER 52 -2.266 7.110 -1.972 387 HA PRO 53 HA PRO 53 -6.787 7.471 0.105 388 1HB PRO 53 HB2 PRO 53 -7.102 5.608 -2.058 389 2HB PRO 53 HB1 PRO 53 -8.137 6.981 -1.643 390 1HG PRO 53 HG2 PRO 53 -6.336 6.756 -3.880 391 2HG PRO 53 HG1 PRO 53 -7.357 8.134 -3.447 392 1HD PRO 53 HD2 PRO 53 -4.488 7.905 -3.199 393 2HD PRO 53 HD1 PRO 53 -5.513 9.297 -2.798 394 H THR 54 HN THR 54 -5.917 6.219 1.728 395 HA THR 54 HA THR 54 -4.518 3.704 0.921 396 HB THR 54 HB THR 54 -3.296 3.836 3.045 397 HG1 THR 54 HG1 THR 54 -4.749 4.948 4.301 398 1HG2 THR 54 HG23 THR 54 -2.528 5.005 0.915 399 2HG2 THR 54 HG22 THR 54 -3.118 6.501 1.639 400 3HG2 THR 54 HG21 THR 54 -1.818 5.596 2.416 401 H LYS 55 HN LYS 55 -4.971 1.851 2.337 402 HA LYS 55 HA LYS 55 -7.618 1.283 2.789 403 1HB LYS 55 HB2 LYS 55 -5.181 0.058 3.460 404 2HB LYS 55 HB1 LYS 55 -6.090 0.156 4.970 405 1HG LYS 55 HG2 LYS 55 -7.295 -0.862 2.388 406 2HG LYS 55 HG1 LYS 55 -6.544 -1.917 3.580 407 1HD LYS 55 HD2 LYS 55 -8.110 -1.015 5.307 408 2HD LYS 55 HD1 LYS 55 -8.918 -0.096 4.035 409 1HE LYS 55 HE2 LYS 55 -8.518 -3.013 3.574 410 2HE LYS 55 HE1 LYS 55 -9.747 -2.539 4.746 411 1HZ LYS 55 HZ1 LYS 55 -9.575 -1.425 2.000 412 2HZ LYS 55 HZ3 LYS 55 -10.555 -2.747 2.418 413 3HZ LYS 55 HZ2 LYS 55 -10.840 -1.226 3.120 414 H THR 56 HN THR 56 -9.165 1.986 4.164 415 HA THR 56 HA THR 56 -8.278 3.509 6.580 416 HB THR 56 HB THR 56 -10.956 4.003 5.346 417 HG1 THR 56 HG1 THR 56 -8.838 5.513 4.398 418 1HG2 THR 56 HG22 THR 56 -9.031 5.317 7.146 419 2HG2 THR 56 HG21 THR 56 -9.782 6.399 5.973 420 3HG2 THR 56 HG23 THR 56 -10.787 5.460 7.075 421 H SER 57 HN SER 57 -10.757 3.719 7.827 422 HA SER 57 HA SER 57 -11.023 1.089 8.956 423 1HB SER 57 HB2 SER 57 -12.561 2.088 10.486 424 2HB SER 57 HB1 SER 57 -11.331 3.307 10.169 425 HG SER 57 HG SER 57 -13.891 3.584 9.877 426 H GLY 58 HN GLY 58 -11.674 -0.097 6.969 427 1HA GLY 58 HA2 GLY 58 -14.428 -0.681 6.858 428 2HA GLY 58 HA1 GLY 58 -14.119 0.500 5.584 429 H LYS 59 HN LYS 59 -14.956 -2.071 4.914 430 HA LYS 59 HA LYS 59 -12.563 -3.631 4.175 431 1HB LYS 59 HB2 LYS 59 -15.355 -4.179 4.549 432 2HB LYS 59 HB1 LYS 59 -14.904 -4.644 2.909 433 1HG LYS 59 HG2 LYS 59 -13.286 -6.175 3.650 434 2HG LYS 59 HG1 LYS 59 -13.163 -5.416 5.238 435 1HD LYS 59 HD2 LYS 59 -15.327 -6.249 5.892 436 2HD LYS 59 HD1 LYS 59 -15.666 -6.808 4.254 437 1HE LYS 59 HE2 LYS 59 -14.922 -8.808 5.070 438 2HE LYS 59 HE1 LYS 59 -13.335 -8.117 4.731 439 1HZ LYS 59 HZ3 LYS 59 -14.673 -7.642 7.319 440 2HZ LYS 59 HZ2 LYS 59 -13.779 -9.061 7.052 441 3HZ LYS 59 HZ1 LYS 59 -13.022 -7.544 6.941 442 H CYS 60 HN CYS 60 -11.998 -4.057 1.961 443 HA CYS 60 HA CYS 60 -12.247 -1.796 0.210 444 1HB CYS 60 HB2 CYS 60 -10.365 -3.484 0.193 445 2HB CYS 60 HB1 CYS 60 -11.474 -4.618 -0.579 446 H ASN 61 HN ASN 61 -13.611 -1.449 -1.527 447 HA ASN 61 HA ASN 61 -15.785 -3.464 -1.907 448 1HB ASN 61 HB2 ASN 61 -16.820 -1.537 -0.983 449 2HB ASN 61 HB1 ASN 61 -15.830 -0.443 -1.948 450 1HD2 ASN 61 HD22 ASN 61 -18.872 -0.308 -3.885 451 2HD2 ASN 61 HD21 ASN 61 -18.050 0.459 -2.612 452 HA PRO 62 HA PRO 62 -14.079 -3.886 -5.975 453 1HB PRO 62 HB2 PRO 62 -16.681 -4.733 -6.940 454 2HB PRO 62 HB1 PRO 62 -15.231 -5.713 -6.679 455 1HG PRO 62 HG2 PRO 62 -17.613 -5.685 -5.080 456 2HG PRO 62 HG1 PRO 62 -16.126 -6.591 -4.775 457 1HD PRO 62 HD2 PRO 62 -17.117 -4.302 -3.335 458 2HD PRO 62 HD1 PRO 62 -15.622 -5.209 -3.041 459 H ALA 63 HN ALA 63 -13.851 -1.636 -6.468 460 HA ALA 63 HA ALA 63 -14.312 0.218 -7.853 461 1HB ALA 63 HB2 ALA 63 -15.859 -1.752 -8.978 462 2HB ALA 63 HB1 ALA 63 -17.077 -0.563 -8.516 463 3HB ALA 63 HB3 ALA 63 -15.752 -0.100 -9.585 Start of MODEL 3 Raw file had 463 H/Q atoms Start of MODEL 3 1 1H LYS 1 HT3 LYS 1 3.040 14.424 3.533 2 2H LYS 1 HT2 LYS 1 3.835 14.878 2.102 3 3H LYS 1 HT1 LYS 1 2.156 14.617 2.100 4 HA LYS 1 HA LYS 1 2.585 12.561 1.408 5 1HB LYS 1 HB2 LYS 1 5.406 13.166 2.340 6 2HB LYS 1 HB1 LYS 1 4.944 11.622 1.624 7 1HG LYS 1 HG2 LYS 1 4.208 12.759 -0.418 8 2HG LYS 1 HG1 LYS 1 4.592 14.325 0.298 9 1HD LYS 1 HD2 LYS 1 6.625 12.114 -0.090 10 2HD LYS 1 HD1 LYS 1 6.385 13.435 -1.235 11 1HE LYS 1 HE2 LYS 1 6.659 14.374 1.524 12 2HE LYS 1 HE1 LYS 1 8.082 13.498 0.959 13 1HZ LYS 1 HZ2 LYS 1 6.838 15.511 -0.786 14 2HZ LYS 1 HZ1 LYS 1 7.840 16.023 0.488 15 3HZ LYS 1 HZ3 LYS 1 8.456 14.997 -0.714 16 H LYS 2 HN LYS 2 3.086 10.326 2.404 17 HA LYS 2 HA LYS 2 3.568 10.129 5.235 18 1HB LYS 2 HB2 LYS 2 1.099 9.222 5.605 19 2HB LYS 2 HB1 LYS 2 1.471 10.935 5.794 20 1HG LYS 2 HG2 LYS 2 -0.446 10.923 4.414 21 2HG LYS 2 HG1 LYS 2 0.883 11.137 3.277 22 1HD LYS 2 HD2 LYS 2 0.457 9.162 2.267 23 2HD LYS 2 HD1 LYS 2 0.343 8.317 3.812 24 1HE LYS 2 HE2 LYS 2 -1.965 9.160 4.101 25 2HE LYS 2 HE1 LYS 2 -1.850 9.993 2.551 26 1HZ LYS 2 HZ3 LYS 2 -1.381 7.793 1.532 27 2HZ LYS 2 HZ2 LYS 2 -1.730 7.068 3.029 28 3HZ LYS 2 HZ1 LYS 2 -2.937 7.925 2.196 29 H ASP 3 HN ASP 3 3.759 7.939 5.881 30 HA ASP 3 HA ASP 3 3.954 6.002 3.689 31 1HB ASP 3 HB2 ASP 3 4.108 5.205 6.566 32 2HB ASP 3 HB1 ASP 3 5.115 4.693 5.211 33 H GLY 4 HN GLY 4 2.783 3.753 4.149 34 1HA GLY 4 HA2 GLY 4 0.663 3.281 5.795 35 2HA GLY 4 HA1 GLY 4 -0.042 4.424 4.660 36 OH TYR 5 OH TYR 5 0.945 -2.419 7.798 37 H TYR 5 HN TYR 5 -1.473 2.525 4.292 38 HA TYR 5 HA TYR 5 -0.266 0.515 2.446 39 1HB TYR 5 HB2 TYR 5 -2.880 0.483 3.985 40 2HB TYR 5 HB1 TYR 5 -2.333 -0.780 2.898 41 HD1 TYR 5 HD2 TYR 5 -1.748 0.865 6.139 42 HD2 TYR 5 HD1 TYR 5 -0.533 -2.281 3.490 43 HE1 TYR 5 HE2 TYR 5 -0.461 -0.192 7.979 44 HE2 TYR 5 HE1 TYR 5 0.752 -3.343 5.325 45 HH TYR 5 HH TYR 5 0.867 -1.857 8.572 46 HA PRO 6 HA PRO 6 -2.392 3.330 -0.466 47 1HB PRO 6 HB2 PRO 6 -0.979 1.983 -2.562 48 2HB PRO 6 HB1 PRO 6 -0.687 3.606 -1.922 49 1HG PRO 6 HG2 PRO 6 0.916 1.227 -1.536 50 2HG PRO 6 HG1 PRO 6 1.238 2.865 -0.958 51 1HD PRO 6 HD2 PRO 6 0.414 0.598 0.598 52 2HD PRO 6 HD1 PRO 6 0.666 2.262 1.162 53 H VAL 7 HN VAL 7 -4.251 2.905 -1.560 54 HA VAL 7 HA VAL 7 -4.840 0.075 -2.348 55 HB VAL 7 HB VAL 7 -7.211 0.531 -1.848 56 1HG1 VAL 7 HG13 VAL 7 -5.691 -0.369 -0.081 57 2HG1 VAL 7 HG12 VAL 7 -5.416 1.281 0.477 58 3HG1 VAL 7 HG11 VAL 7 -7.026 0.572 0.578 59 1HG2 VAL 7 HG23 VAL 7 -6.101 3.242 -1.109 60 2HG2 VAL 7 HG22 VAL 7 -7.418 2.873 -2.221 61 3HG2 VAL 7 HG21 VAL 7 -7.645 2.668 -0.484 62 H ASP 8 HN ASP 8 -5.875 -0.161 -4.400 63 HA ASP 8 HA ASP 8 -5.290 1.945 -6.281 64 1HB ASP 8 HB2 ASP 8 -6.292 0.521 -7.961 65 2HB ASP 8 HB1 ASP 8 -5.355 -0.496 -6.869 66 H SER 9 HN SER 9 -7.575 1.989 -7.934 67 HA SER 9 HA SER 9 -9.103 4.067 -6.629 68 1HB SER 9 HB2 SER 9 -10.529 3.873 -8.732 69 2HB SER 9 HB1 SER 9 -8.823 4.224 -8.999 70 HG SER 9 HG SER 9 -10.143 1.716 -9.187 71 H GLY 10 HN GLY 10 -9.279 0.757 -6.275 72 1HA GLY 10 HA2 GLY 10 -12.232 0.825 -5.850 73 2HA GLY 10 HA1 GLY 10 -11.291 -0.648 -6.084 74 H ASN 11 HN ASN 11 -9.455 1.294 -4.137 75 HA ASN 11 HA ASN 11 -9.128 1.410 -1.816 76 1HB ASN 11 HB2 ASN 11 -11.899 1.371 -2.051 77 2HB ASN 11 HB1 ASN 11 -11.561 0.000 -0.996 78 1HD2 ASN 11 HD22 ASN 11 -10.981 2.074 1.767 79 2HD2 ASN 11 HD21 ASN 11 -11.446 0.558 1.162 80 H CYS 12 HN CYS 12 -8.372 -0.727 -3.515 81 HA CYS 12 HA CYS 12 -8.511 -3.093 -1.709 82 1HB CYS 12 HB2 CYS 12 -8.352 -2.744 -4.640 83 2HB CYS 12 HB1 CYS 12 -7.294 -3.993 -3.987 84 H LYS 13 HN LYS 13 -6.818 -3.037 -0.334 85 HA LYS 13 HA LYS 13 -4.417 -1.575 -0.756 86 1HB LYS 13 HB2 LYS 13 -5.533 -2.712 1.389 87 2HB LYS 13 HB1 LYS 13 -4.361 -3.974 1.005 88 1HG LYS 13 HG2 LYS 13 -3.617 -1.052 1.192 89 2HG LYS 13 HG1 LYS 13 -3.535 -2.149 2.570 90 1HD LYS 13 HD2 LYS 13 -1.534 -2.889 1.863 91 2HD LYS 13 HD1 LYS 13 -2.269 -3.435 0.356 92 1HE LYS 13 HE2 LYS 13 -1.588 -1.574 -0.801 93 2HE LYS 13 HE1 LYS 13 -1.760 -0.518 0.596 94 1HZ LYS 13 HZ3 LYS 13 0.344 -2.573 0.558 95 2HZ LYS 13 HZ2 LYS 13 0.581 -1.107 -0.267 96 3HZ LYS 13 HZ1 LYS 13 0.296 -1.106 1.408 97 OH TYR 14 OH TYR 14 -3.499 0.972 -6.751 98 H TYR 14 HN TYR 14 -2.769 -2.026 -2.124 99 HA TYR 14 HA TYR 14 -2.560 -4.425 -3.645 100 1HB TYR 14 HB2 TYR 14 -0.281 -2.564 -2.902 101 2HB TYR 14 HB1 TYR 14 -0.348 -3.654 -4.284 102 HD1 TYR 14 HD1 TYR 14 -2.168 -3.319 -6.016 103 HD2 TYR 14 HD2 TYR 14 -1.205 -0.366 -3.050 104 HE1 TYR 14 HE1 TYR 14 -3.286 -1.584 -7.380 105 HE2 TYR 14 HE2 TYR 14 -2.326 1.372 -4.417 106 HH TYR 14 HH TYR 14 -3.857 0.545 -7.533 107 H GLU 15 HN GLU 15 -2.095 -6.423 -2.864 108 HA GLU 15 HA GLU 15 -0.780 -6.733 -0.257 109 1HB GLU 15 HB2 GLU 15 -2.612 -8.236 -1.654 110 2HB GLU 15 HB1 GLU 15 -1.119 -9.143 -1.901 111 1HG GLU 15 HG2 GLU 15 -0.837 -8.675 0.711 112 2HG GLU 15 HG1 GLU 15 -2.596 -8.576 0.635 113 H CYS 16 HN CYS 16 0.891 -8.847 -0.458 114 HA CYS 16 HA CYS 16 2.700 -8.515 -2.746 115 1HB CYS 16 HB2 CYS 16 4.624 -8.069 -0.994 116 2HB CYS 16 HB1 CYS 16 3.685 -6.741 -1.660 117 H LEU 17 HN LEU 17 4.733 -9.859 -2.401 118 HA LEU 17 HA LEU 17 4.092 -12.314 -0.815 119 1HB LEU 17 HB2 LEU 17 5.669 -12.173 -3.403 120 2HB LEU 17 HB1 LEU 17 5.148 -13.631 -2.558 121 HG LEU 17 HG LEU 17 3.036 -11.666 -3.308 122 1HD1 LEU 17 HD11 LEU 17 4.904 -12.715 -5.224 123 2HD1 LEU 17 HD13 LEU 17 3.330 -13.464 -5.490 124 3HD1 LEU 17 HD12 LEU 17 3.486 -11.708 -5.512 125 1HD2 LEU 17 HD21 LEU 17 3.026 -14.134 -2.177 126 2HD2 LEU 17 HD23 LEU 17 1.679 -13.504 -3.124 127 3HD2 LEU 17 HD22 LEU 17 2.859 -14.577 -3.876 128 H LYS 18 HN LYS 18 6.762 -10.474 -2.326 129 HA LYS 18 HA LYS 18 8.500 -11.311 -0.040 130 1HB LYS 18 HB2 LYS 18 8.951 -11.177 -2.918 131 2HB LYS 18 HB1 LYS 18 10.146 -10.231 -2.030 132 1HG LYS 18 HG2 LYS 18 10.751 -12.133 -0.673 133 2HG LYS 18 HG1 LYS 18 9.418 -13.086 -1.326 134 1HD LYS 18 HD2 LYS 18 11.480 -11.939 -3.189 135 2HD LYS 18 HD1 LYS 18 11.826 -13.426 -2.303 136 1HE LYS 18 HE2 LYS 18 9.159 -13.380 -3.541 137 2HE LYS 18 HE1 LYS 18 10.484 -13.312 -4.702 138 1HZ LYS 18 HZ1 LYS 18 11.211 -15.179 -2.801 139 2HZ LYS 18 HZ3 LYS 18 9.584 -15.502 -3.156 140 3HZ LYS 18 HZ2 LYS 18 10.736 -15.477 -4.405 141 H ASP 19 HN ASP 19 10.382 -9.479 0.113 142 HA ASP 19 HA ASP 19 8.976 -7.066 0.949 143 1HB ASP 19 HB2 ASP 19 11.230 -8.256 1.828 144 2HB ASP 19 HB1 ASP 19 11.947 -7.069 0.739 145 H ASP 20 HN ASP 20 11.021 -8.007 -1.771 146 HA ASP 20 HA ASP 20 11.512 -5.395 -2.793 147 1HB ASP 20 HB2 ASP 20 12.582 -6.520 -4.453 148 2HB ASP 20 HB1 ASP 20 12.324 -7.923 -3.431 149 OH TYR 21 OH TYR 21 1.243 -5.724 -5.856 150 H TYR 21 HN TYR 21 8.859 -7.713 -3.485 151 HA TYR 21 HA TYR 21 7.586 -6.305 -5.538 152 1HB TYR 21 HB2 TYR 21 6.671 -8.421 -4.857 153 2HB TYR 21 HB1 TYR 21 6.372 -7.833 -3.221 154 HD1 TYR 21 HD1 TYR 21 4.727 -5.874 -2.924 155 HD2 TYR 21 HD2 TYR 21 5.024 -8.166 -6.547 156 HE1 TYR 21 HE1 TYR 21 2.484 -5.078 -3.615 157 HE2 TYR 21 HE2 TYR 21 2.784 -7.365 -7.237 158 HH TYR 21 HH TYR 21 1.302 -5.436 -6.770 159 H CYS 22 HN CYS 22 7.604 -5.578 -2.073 160 HA CYS 22 HA CYS 22 5.614 -3.456 -2.337 161 1HB CYS 22 HB2 CYS 22 7.453 -4.329 -0.115 162 2HB CYS 22 HB1 CYS 22 6.468 -2.877 0.019 163 H ASN 23 HN ASN 23 9.141 -3.551 -1.902 164 HA ASN 23 HA ASN 23 9.584 -0.753 -1.738 165 1HB ASN 23 HB2 ASN 23 11.186 -2.799 -1.492 166 2HB ASN 23 HB1 ASN 23 11.418 -2.638 -3.221 167 1HD2 ASN 23 HD22 ASN 23 14.029 -0.388 -2.298 168 2HD2 ASN 23 HD21 ASN 23 13.677 -1.946 -2.872 169 H ASP 24 HN ASP 24 9.536 -2.883 -4.565 170 HA ASP 24 HA ASP 24 9.976 -0.833 -6.524 171 1HB ASP 24 HB2 ASP 24 10.087 -3.424 -6.761 172 2HB ASP 24 HB1 ASP 24 8.351 -3.319 -7.033 173 H LEU 25 HN LEU 25 6.935 -2.628 -5.927 174 HA LEU 25 HA LEU 25 5.173 -0.946 -7.264 175 1HB LEU 25 HB2 LEU 25 4.373 -3.009 -6.280 176 2HB LEU 25 HB1 LEU 25 4.780 -2.451 -4.658 177 HG LEU 25 HG LEU 25 3.130 -0.448 -5.391 178 1HD1 LEU 25 HD11 LEU 25 2.873 -2.134 -7.548 179 2HD1 LEU 25 HD13 LEU 25 1.524 -2.634 -6.527 180 3HD1 LEU 25 HD12 LEU 25 1.662 -0.954 -7.045 181 1HD2 LEU 25 HD21 LEU 25 2.991 -2.789 -3.766 182 2HD2 LEU 25 HD23 LEU 25 2.060 -1.300 -3.598 183 3HD2 LEU 25 HD22 LEU 25 1.438 -2.622 -4.585 184 H CYS 26 HN CYS 26 6.843 -0.404 -4.266 185 HA CYS 26 HA CYS 26 5.239 1.777 -3.351 186 1HB CYS 26 HB2 CYS 26 7.826 0.490 -2.632 187 2HB CYS 26 HB1 CYS 26 7.554 2.108 -2.036 188 H LEU 27 HN LEU 27 8.339 1.529 -5.086 189 HA LEU 27 HA LEU 27 8.952 4.261 -5.269 190 1HB LEU 27 HB2 LEU 27 9.430 1.982 -7.210 191 2HB LEU 27 HB1 LEU 27 10.085 3.599 -7.458 192 HG LEU 27 HG LEU 27 10.704 1.652 -5.232 193 1HD1 LEU 27 HD11 LEU 27 12.391 3.212 -7.215 194 2HD1 LEU 27 HD13 LEU 27 13.032 2.144 -5.965 195 3HD1 LEU 27 HD12 LEU 27 12.050 1.483 -7.272 196 1HD2 LEU 27 HD22 LEU 27 11.023 4.648 -5.324 197 2HD2 LEU 27 HD21 LEU 27 10.461 3.636 -3.993 198 3HD2 LEU 27 HD23 LEU 27 12.172 3.657 -4.424 199 H GLU 28 HN GLU 28 6.816 2.233 -7.232 200 HA GLU 28 HA GLU 28 6.166 4.216 -9.162 201 1HB GLU 28 HB2 GLU 28 4.542 1.847 -8.215 202 2HB GLU 28 HB1 GLU 28 4.221 2.775 -9.681 203 1HG GLU 28 HG2 GLU 28 6.863 1.394 -9.141 204 2HG GLU 28 HG1 GLU 28 5.548 0.646 -10.048 205 NH1 ARG 29 NH2 ARG 29 -0.927 2.931 -5.351 206 NH2 ARG 29 NH1 ARG 29 -0.838 2.369 -7.538 207 H ARG 29 HN ARG 29 4.811 3.370 -6.057 208 HA ARG 29 HA ARG 29 2.552 5.128 -6.229 209 1HB ARG 29 HB2 ARG 29 3.741 3.360 -4.238 210 2HB ARG 29 HB1 ARG 29 3.094 4.839 -3.523 211 1HG ARG 29 HG2 ARG 29 1.106 3.735 -3.592 212 2HG ARG 29 HG1 ARG 29 1.114 4.195 -5.295 213 1HD ARG 29 HD2 ARG 29 2.723 1.886 -5.097 214 2HD ARG 29 HD1 ARG 29 1.284 1.557 -4.135 215 HE ARG 29 HE ARG 29 1.386 1.516 -6.960 216 1HH1 ARG 29 HH21 ARG 29 -0.517 2.945 -4.442 217 2HH1 ARG 29 HH22 ARG 29 -1.849 3.293 -5.487 218 1HH2 ARG 29 HH11 ARG 29 -0.353 1.954 -8.307 219 2HH2 ARG 29 HH12 ARG 29 -1.761 2.732 -7.665 220 H LYS 30 HN LYS 30 5.789 5.819 -6.075 221 HA LYS 30 HA LYS 30 6.836 7.922 -5.898 222 1HB LYS 30 HB2 LYS 30 4.592 8.956 -6.384 223 2HB LYS 30 HB1 LYS 30 4.268 8.936 -4.650 224 1HG LYS 30 HG2 LYS 30 6.889 10.057 -5.269 225 2HG LYS 30 HG1 LYS 30 5.574 10.964 -6.017 226 1HD LYS 30 HD2 LYS 30 4.875 10.230 -3.298 227 2HD LYS 30 HD1 LYS 30 6.408 11.103 -3.325 228 1HE LYS 30 HE2 LYS 30 3.877 12.038 -4.712 229 2HE LYS 30 HE1 LYS 30 4.434 12.626 -3.144 230 1HZ LYS 30 HZ2 LYS 30 6.333 12.676 -5.364 231 2HZ LYS 30 HZ1 LYS 30 5.078 13.821 -5.386 232 3HZ LYS 30 HZ3 LYS 30 6.148 13.762 -4.071 233 H ALA 31 HN ALA 31 6.602 5.758 -3.794 234 HA ALA 31 HA ALA 31 7.048 7.457 -1.386 235 1HB ALA 31 HB1 ALA 31 5.654 5.068 -1.695 236 2HB ALA 31 HB3 ALA 31 7.173 4.586 -0.939 237 3HB ALA 31 HB2 ALA 31 6.149 5.797 -0.167 238 H ASP 32 HN ASP 32 8.995 7.348 -0.284 239 HA ASP 32 HA ASP 32 11.378 7.006 -1.679 240 1HB ASP 32 HB2 ASP 32 10.849 8.037 0.671 241 2HB ASP 32 HB1 ASP 32 11.204 6.421 1.255 242 H LYS 33 HN LYS 33 9.714 4.777 0.522 243 HA LYS 33 HA LYS 33 10.697 2.475 -1.007 244 1HB LYS 33 HB2 LYS 33 12.166 1.512 0.560 245 2HB LYS 33 HB1 LYS 33 12.627 3.212 0.544 246 1HG LYS 33 HG2 LYS 33 10.532 2.881 2.473 247 2HG LYS 33 HG1 LYS 33 11.756 1.647 2.769 248 1HD LYS 33 HD2 LYS 33 13.330 3.816 2.303 249 2HD LYS 33 HD1 LYS 33 11.926 4.585 3.043 250 1HE LYS 33 HE2 LYS 33 13.413 3.996 4.836 251 2HE LYS 33 HE1 LYS 33 12.076 2.847 4.886 252 1HZ LYS 33 HZ1 LYS 33 13.615 1.468 3.348 253 2HZ LYS 33 HZ3 LYS 33 14.848 2.434 3.999 254 3HZ LYS 33 HZ2 LYS 33 13.892 1.475 5.025 255 H GLY 34 HN GLY 34 10.258 0.390 0.628 256 1HA GLY 34 HA2 GLY 34 8.158 0.544 2.501 257 2HA GLY 34 HA1 GLY 34 7.408 0.361 0.925 258 OH TYR 35 OH TYR 35 6.534 -1.152 8.360 259 H TYR 35 HN TYR 35 7.542 -1.516 3.239 260 HA TYR 35 HA TYR 35 8.863 -3.800 1.822 261 1HB TYR 35 HB2 TYR 35 8.923 -4.866 4.133 262 2HB TYR 35 HB1 TYR 35 10.021 -3.517 3.893 263 HD1 TYR 35 HD1 TYR 35 6.575 -4.318 5.091 264 HD2 TYR 35 HD2 TYR 35 9.965 -1.698 5.401 265 HE1 TYR 35 HE1 TYR 35 5.510 -3.171 7.009 266 HE2 TYR 35 HE2 TYR 35 8.894 -0.545 7.321 267 HH TYR 35 HH TYR 35 7.227 -0.810 8.928 268 H CYS 36 HN CYS 36 7.744 -5.913 2.992 269 HA CYS 36 HA CYS 36 4.851 -5.561 2.377 270 1HB CYS 36 HB2 CYS 36 6.142 -7.143 0.991 271 2HB CYS 36 HB1 CYS 36 6.539 -8.072 2.433 272 OH TYR 37 OH TYR 37 1.808 -5.817 12.203 273 H TYR 37 HN TYR 37 3.783 -5.182 4.249 274 HA TYR 37 HA TYR 37 4.573 -6.439 6.766 275 1HB TYR 37 HB2 TYR 37 3.472 -4.153 6.541 276 2HB TYR 37 HB1 TYR 37 1.982 -4.994 6.124 277 HD1 TYR 37 HD2 TYR 37 4.575 -6.064 8.586 278 HD2 TYR 37 HD1 TYR 37 0.609 -4.529 7.998 279 HE1 TYR 37 HE2 TYR 37 4.093 -6.387 10.997 280 HE2 TYR 37 HE1 TYR 37 0.125 -4.848 10.408 281 HH TYR 37 HH TYR 37 2.534 -5.441 12.704 282 CH2 TRP 38 CH2 TRP 38 1.526 -14.704 2.495 283 H TRP 38 HN TRP 38 4.402 -8.682 6.404 284 HA TRP 38 HA TRP 38 2.091 -9.878 5.152 285 1HB TRP 38 HB2 TRP 38 4.654 -10.734 6.202 286 2HB TRP 38 HB1 TRP 38 3.393 -11.856 6.687 287 HD1 TRP 38 HD1 TRP 38 5.111 -10.410 3.622 288 HE1 TRP 38 HE1 TRP 38 4.504 -11.835 1.562 289 HE3 TRP 38 HE3 TRP 38 1.571 -13.468 5.675 290 HZ2 TRP 38 HZ2 TRP 38 2.748 -13.988 0.874 291 HZ3 TRP 38 HZ3 TRP 38 0.449 -15.194 4.294 292 HH2 TRP 38 HH2 TRP 38 1.032 -15.459 1.899 293 H GLY 39 HN GLY 39 2.088 -11.977 7.553 294 1HA GLY 39 HA2 GLY 39 0.786 -12.293 9.479 295 2HA GLY 39 HA1 GLY 39 0.789 -10.539 9.697 296 H LYS 40 HN LYS 40 -0.166 -11.736 6.619 297 HA LYS 40 HA LYS 40 -2.285 -11.989 5.610 298 1HB LYS 40 HB2 LYS 40 -2.879 -12.977 7.949 299 2HB LYS 40 HB1 LYS 40 -3.598 -11.396 8.257 300 1HG LYS 40 HG2 LYS 40 -5.197 -11.647 6.558 301 2HG LYS 40 HG1 LYS 40 -4.263 -12.898 5.735 302 1HD LYS 40 HD2 LYS 40 -5.320 -14.507 6.896 303 2HD LYS 40 HD1 LYS 40 -4.842 -13.757 8.420 304 1HE LYS 40 HE2 LYS 40 -7.224 -12.902 6.749 305 2HE LYS 40 HE1 LYS 40 -7.318 -13.921 8.184 306 1HZ LYS 40 HZ3 LYS 40 -6.005 -11.277 8.264 307 2HZ LYS 40 HZ2 LYS 40 -7.684 -11.432 8.471 308 3HZ LYS 40 HZ1 LYS 40 -6.618 -12.195 9.552 309 H VAL 41 HN VAL 41 -0.769 -9.439 6.138 310 HA VAL 41 HA VAL 41 -3.064 -7.535 6.115 311 HB VAL 41 HB VAL 41 -0.123 -6.955 6.532 312 1HG1 VAL 41 HG12 VAL 41 -2.509 -5.308 6.091 313 2HG1 VAL 41 HG11 VAL 41 -1.627 -4.878 7.557 314 3HG1 VAL 41 HG13 VAL 41 -0.805 -4.863 5.996 315 1HG2 VAL 41 HG22 VAL 41 -2.273 -7.836 8.320 316 2HG2 VAL 41 HG21 VAL 41 -0.533 -7.787 8.600 317 3HG2 VAL 41 HG23 VAL 41 -1.508 -6.338 8.849 318 H SER 42 HN SER 42 -0.177 -6.223 4.810 319 HA SER 42 HA SER 42 -0.525 -7.045 2.044 320 1HB SER 42 HB2 SER 42 -1.700 -4.387 2.913 321 2HB SER 42 HB1 SER 42 -1.413 -4.838 1.236 322 HG SER 42 HG SER 42 -3.428 -5.532 2.911 323 H CYS 43 HN CYS 43 0.350 -4.775 0.755 324 HA CYS 43 HA CYS 43 3.152 -4.702 1.406 325 1HB CYS 43 HB2 CYS 43 1.388 -3.701 -0.675 326 2HB CYS 43 HB1 CYS 43 2.539 -2.462 -0.201 327 OH TYR 44 OH TYR 44 2.635 2.957 7.938 328 H TYR 44 HN TYR 44 4.268 -2.466 1.654 329 HA TYR 44 HA TYR 44 2.659 -0.469 3.111 330 1HB TYR 44 HB2 TYR 44 3.600 -2.227 4.788 331 2HB TYR 44 HB1 TYR 44 5.155 -1.451 4.478 332 HD1 TYR 44 HD2 TYR 44 1.606 -0.593 5.283 333 HD2 TYR 44 HD1 TYR 44 5.737 0.483 5.707 334 HE1 TYR 44 HE2 TYR 44 0.964 1.257 6.789 335 HE2 TYR 44 HE1 TYR 44 5.103 2.338 7.208 336 HH TYR 44 HH TYR 44 2.874 2.708 8.834 337 H CYS 45 HN CYS 45 3.268 1.440 2.237 338 HA CYS 45 HA CYS 45 6.037 1.655 1.156 339 1HB CYS 45 HB2 CYS 45 3.525 3.211 0.527 340 2HB CYS 45 HB1 CYS 45 5.111 3.644 -0.089 341 OH TYR 46 OH TYR 46 7.279 0.844 7.476 342 H TYR 46 HN TYR 46 6.745 4.040 1.136 343 HA TYR 46 HA TYR 46 6.056 5.533 3.594 344 1HB TYR 46 HB2 TYR 46 8.824 4.557 2.867 345 2HB TYR 46 HB1 TYR 46 8.516 5.788 4.084 346 HD1 TYR 46 HD1 TYR 46 8.198 2.220 3.235 347 HD2 TYR 46 HD2 TYR 46 7.519 5.204 6.230 348 HE1 TYR 46 HE1 TYR 46 7.843 0.441 4.925 349 HE2 TYR 46 HE2 TYR 46 7.155 3.438 7.921 350 HH TYR 46 HH TYR 46 7.216 1.266 8.336 351 H GLY 47 HN GLY 47 5.350 7.276 2.351 352 1HA GLY 47 HA2 GLY 47 6.417 9.429 1.451 353 2HA GLY 47 HA1 GLY 47 7.256 8.369 0.320 354 H LEU 48 HN LEU 48 3.924 7.966 1.391 355 HA LEU 48 HA LEU 48 3.042 7.908 -1.402 356 1HB LEU 48 HB2 LEU 48 1.569 7.548 1.224 357 2HB LEU 48 HB1 LEU 48 0.811 7.387 -0.360 358 HG LEU 48 HG LEU 48 3.294 5.817 0.333 359 1HD1 LEU 48 HD12 LEU 48 1.058 5.586 1.857 360 2HD1 LEU 48 HD11 LEU 48 0.657 4.479 0.544 361 3HD1 LEU 48 HD13 LEU 48 2.125 4.231 1.488 362 1HD2 LEU 48 HD22 LEU 48 2.364 6.078 -2.043 363 2HD2 LEU 48 HD21 LEU 48 2.591 4.423 -1.477 364 3HD2 LEU 48 HD23 LEU 48 0.979 5.136 -1.493 365 HA PRO 49 HA PRO 49 1.575 11.982 -1.880 366 1HB PRO 49 HB2 PRO 49 -1.076 11.227 -2.747 367 2HB PRO 49 HB1 PRO 49 0.285 11.782 -3.731 368 1HG PRO 49 HG2 PRO 49 -0.766 9.118 -3.583 369 2HG PRO 49 HG1 PRO 49 0.657 9.658 -4.483 370 1HD PRO 49 HD2 PRO 49 0.574 8.068 -2.065 371 2HD PRO 49 HD1 PRO 49 1.996 8.553 -3.009 372 H ASP 50 HN ASP 50 0.297 13.549 -0.818 373 HA ASP 50 HA ASP 50 -0.575 13.084 1.775 374 1HB ASP 50 HB2 ASP 50 -0.716 15.233 -0.152 375 2HB ASP 50 HB1 ASP 50 -2.156 15.173 0.857 376 H ASN 51 HN ASN 51 -2.803 13.754 -0.884 377 HA ASN 51 HA ASN 51 -5.019 12.629 0.534 378 1HB ASN 51 HB2 ASN 51 -6.244 13.139 -1.537 379 2HB ASN 51 HB1 ASN 51 -5.286 14.511 -1.008 380 1HD2 ASN 51 HD22 ASN 51 -4.560 14.158 -4.608 381 2HD2 ASN 51 HD21 ASN 51 -5.877 14.624 -3.644 382 H SER 52 HN SER 52 -2.514 11.056 -0.805 383 HA SER 52 HA SER 52 -3.443 9.170 -2.626 384 1HB SER 52 HB2 SER 52 -1.111 9.377 -1.571 385 2HB SER 52 HB1 SER 52 -1.742 8.394 -0.253 386 HG SER 52 HG SER 52 -2.473 6.996 -2.141 387 HA PRO 53 HA PRO 53 -6.851 7.544 -0.153 388 1HB PRO 53 HB2 PRO 53 -7.459 5.751 -2.311 389 2HB PRO 53 HB1 PRO 53 -8.314 7.233 -1.862 390 1HG PRO 53 HG2 PRO 53 -6.608 6.803 -4.155 391 2HG PRO 53 HG1 PRO 53 -7.492 8.271 -3.716 392 1HD PRO 53 HD2 PRO 53 -4.652 7.807 -3.551 393 2HD PRO 53 HD1 PRO 53 -5.544 9.274 -3.099 394 H THR 54 HN THR 54 -6.678 5.839 1.275 395 HA THR 54 HA THR 54 -5.076 3.464 0.430 396 HB THR 54 HB THR 54 -4.026 3.395 2.618 397 HG1 THR 54 HG1 THR 54 -4.485 5.096 4.093 398 1HG2 THR 54 HG23 THR 54 -3.897 5.802 0.909 399 2HG2 THR 54 HG22 THR 54 -3.194 5.984 2.518 400 3HG2 THR 54 HG21 THR 54 -2.605 4.722 1.437 401 H LYS 55 HN LYS 55 -5.413 1.713 2.318 402 HA LYS 55 HA LYS 55 -7.968 0.667 2.119 403 1HB LYS 55 HB2 LYS 55 -5.650 0.236 3.841 404 2HB LYS 55 HB1 LYS 55 -7.172 -0.171 4.633 405 1HG LYS 55 HG2 LYS 55 -6.462 -1.138 1.852 406 2HG LYS 55 HG1 LYS 55 -6.099 -2.063 3.309 407 1HD LYS 55 HD2 LYS 55 -8.542 -1.913 3.917 408 2HD LYS 55 HD1 LYS 55 -8.832 -1.202 2.330 409 1HE LYS 55 HE2 LYS 55 -7.396 -3.378 1.600 410 2HE LYS 55 HE1 LYS 55 -8.171 -4.003 3.055 411 1HZ LYS 55 HZ1 LYS 55 -9.849 -2.512 1.188 412 2HZ LYS 55 HZ3 LYS 55 -9.342 -4.055 0.699 413 3HZ LYS 55 HZ2 LYS 55 -10.221 -3.872 2.139 414 H THR 56 HN THR 56 -9.907 0.946 3.135 415 HA THR 56 HA THR 56 -10.107 3.175 5.100 416 HB THR 56 HB THR 56 -12.117 1.853 3.272 417 HG1 THR 56 HG1 THR 56 -12.301 4.126 2.658 418 1HG2 THR 56 HG21 THR 56 -12.512 3.377 5.776 419 2HG2 THR 56 HG23 THR 56 -13.474 3.921 4.401 420 3HG2 THR 56 HG22 THR 56 -13.595 2.252 4.957 421 H SER 57 HN SER 57 -12.490 0.673 4.774 422 HA SER 57 HA SER 57 -11.861 -0.213 7.515 423 1HB SER 57 HB2 SER 57 -14.387 -1.109 7.163 424 2HB SER 57 HB1 SER 57 -14.021 0.487 7.810 425 HG SER 57 HG SER 57 -15.003 -0.269 5.332 426 H GLY 58 HN GLY 58 -10.449 -1.288 5.376 427 1HA GLY 58 HA2 GLY 58 -9.783 -3.376 4.541 428 2HA GLY 58 HA1 GLY 58 -10.836 -4.097 5.759 429 H LYS 59 HN LYS 59 -12.561 -1.928 3.813 430 HA LYS 59 HA LYS 59 -13.809 -4.221 2.404 431 1HB LYS 59 HB2 LYS 59 -15.694 -2.790 2.048 432 2HB LYS 59 HB1 LYS 59 -15.168 -2.503 3.707 433 1HG LYS 59 HG2 LYS 59 -13.883 -0.527 2.946 434 2HG LYS 59 HG1 LYS 59 -14.458 -0.800 1.301 435 1HD LYS 59 HD2 LYS 59 -16.694 -0.294 1.872 436 2HD LYS 59 HD1 LYS 59 -16.388 -0.489 3.598 437 1HE LYS 59 HE2 LYS 59 -16.450 1.847 3.323 438 2HE LYS 59 HE1 LYS 59 -14.725 1.482 3.306 439 1HZ LYS 59 HZ2 LYS 59 -15.948 1.284 0.718 440 2HZ LYS 59 HZ1 LYS 59 -16.070 2.842 1.385 441 3HZ LYS 59 HZ3 LYS 59 -14.547 2.121 1.195 442 H CYS 60 HN CYS 60 -14.285 -4.036 0.093 443 HA CYS 60 HA CYS 60 -12.966 -1.962 -1.485 444 1HB CYS 60 HB2 CYS 60 -11.053 -3.445 -0.922 445 2HB CYS 60 HB1 CYS 60 -11.922 -4.810 -1.623 446 H ASN 61 HN ASN 61 -15.129 -1.764 -2.307 447 HA ASN 61 HA ASN 61 -16.123 -4.081 -3.886 448 1HB ASN 61 HB2 ASN 61 -18.177 -2.347 -3.917 449 2HB ASN 61 HB1 ASN 61 -17.952 -3.511 -2.619 450 1HD2 ASN 61 HD22 ASN 61 -17.813 -0.895 -0.274 451 2HD2 ASN 61 HD21 ASN 61 -18.348 -2.458 -0.663 452 HA PRO 62 HA PRO 62 -15.448 -2.072 -7.716 453 1HB PRO 62 HB2 PRO 62 -18.025 -2.550 -8.841 454 2HB PRO 62 HB1 PRO 62 -16.576 -3.545 -9.033 455 1HG PRO 62 HG2 PRO 62 -18.960 -4.127 -7.474 456 2HG PRO 62 HG1 PRO 62 -17.567 -5.172 -7.777 457 1HD PRO 62 HD2 PRO 62 -18.238 -3.827 -5.331 458 2HD PRO 62 HD1 PRO 62 -16.797 -4.812 -5.662 459 H ALA 63 HN ALA 63 -16.678 -0.440 -9.302 460 HA ALA 63 HA ALA 63 -18.816 1.167 -8.580 461 1HB ALA 63 HB2 ALA 63 -16.349 1.791 -7.004 462 2HB ALA 63 HB1 ALA 63 -17.361 3.132 -7.541 463 3HB ALA 63 HB3 ALA 63 -18.041 1.870 -6.513 Start of MODEL 4 Raw file had 463 H/Q atoms Start of MODEL 4 1 1H LYS 1 HT3 LYS 1 3.351 13.667 3.643 2 2H LYS 1 HT2 LYS 1 4.169 14.264 2.279 3 3H LYS 1 HT1 LYS 1 2.617 13.591 2.115 4 HA LYS 1 HA LYS 1 3.592 11.682 1.612 5 1HB LYS 1 HB2 LYS 1 6.040 11.368 1.875 6 2HB LYS 1 HB1 LYS 1 5.661 12.895 1.076 7 1HG LYS 1 HG2 LYS 1 5.775 13.978 3.385 8 2HG LYS 1 HG1 LYS 1 6.473 12.463 3.958 9 1HD LYS 1 HD2 LYS 1 8.367 13.751 3.417 10 2HD LYS 1 HD1 LYS 1 8.144 12.741 1.988 11 1HE LYS 1 HE2 LYS 1 8.505 14.997 1.222 12 2HE LYS 1 HE1 LYS 1 6.800 14.622 0.973 13 1HZ LYS 1 HZ3 LYS 1 7.592 15.820 3.523 14 2HZ LYS 1 HZ2 LYS 1 7.552 16.822 2.151 15 3HZ LYS 1 HZ1 LYS 1 6.152 15.997 2.644 16 H LYS 2 HN LYS 2 3.796 9.659 2.696 17 HA LYS 2 HA LYS 2 4.572 9.464 5.470 18 1HB LYS 2 HB2 LYS 2 2.237 8.810 6.271 19 2HB LYS 2 HB1 LYS 2 2.499 10.531 5.986 20 1HG LYS 2 HG2 LYS 2 0.456 10.117 4.893 21 2HG LYS 2 HG1 LYS 2 1.635 10.035 3.583 22 1HD LYS 2 HD2 LYS 2 1.373 7.779 3.306 23 2HD LYS 2 HD1 LYS 2 1.134 7.493 5.029 24 1HE LYS 2 HE2 LYS 2 -0.968 7.043 3.955 25 2HE LYS 2 HE1 LYS 2 -1.141 8.583 4.792 26 1HZ LYS 2 HZ2 LYS 2 -0.229 8.585 2.004 27 2HZ LYS 2 HZ1 LYS 2 -1.877 8.325 2.320 28 3HZ LYS 2 HZ3 LYS 2 -1.129 9.752 2.850 29 H ASP 3 HN ASP 3 4.196 7.252 6.327 30 HA ASP 3 HA ASP 3 4.426 5.229 4.189 31 1HB ASP 3 HB2 ASP 3 4.359 4.503 7.076 32 2HB ASP 3 HB1 ASP 3 5.452 3.938 5.811 33 H GLY 4 HN GLY 4 2.926 3.308 4.217 34 1HA GLY 4 HA2 GLY 4 0.768 2.970 5.981 35 2HA GLY 4 HA1 GLY 4 0.197 4.115 4.772 36 OH TYR 5 OH TYR 5 0.185 -3.288 7.696 37 H TYR 5 HN TYR 5 -1.362 2.389 4.325 38 HA TYR 5 HA TYR 5 -0.269 0.135 2.699 39 1HB TYR 5 HB2 TYR 5 -2.915 0.580 4.098 40 2HB TYR 5 HB1 TYR 5 -2.682 -0.715 2.928 41 HD1 TYR 5 HD1 TYR 5 -0.348 -2.067 3.342 42 HD2 TYR 5 HD2 TYR 5 -2.627 0.018 6.321 43 HE1 TYR 5 HE1 TYR 5 0.683 -3.461 5.108 44 HE2 TYR 5 HE2 TYR 5 -1.594 -1.375 8.091 45 HH TYR 5 HH TYR 5 1.055 -3.556 7.390 46 HA PRO 6 HA PRO 6 -1.596 3.036 -0.558 47 1HB PRO 6 HB2 PRO 6 -0.303 1.223 -2.399 48 2HB PRO 6 HB1 PRO 6 0.192 2.856 -1.935 49 1HG PRO 6 HG2 PRO 6 1.439 0.391 -1.169 50 2HG PRO 6 HG1 PRO 6 1.864 2.019 -0.635 51 1HD PRO 6 HD2 PRO 6 0.558 -0.064 0.891 52 2HD PRO 6 HD1 PRO 6 1.043 1.555 1.431 53 H VAL 7 HN VAL 7 -3.784 2.647 -0.826 54 HA VAL 7 HA VAL 7 -4.609 0.014 -1.975 55 HB VAL 7 HB VAL 7 -6.820 0.466 -1.151 56 1HG1 VAL 7 HG12 VAL 7 -5.153 -0.273 0.541 57 2HG1 VAL 7 HG11 VAL 7 -4.821 1.414 0.925 58 3HG1 VAL 7 HG13 VAL 7 -6.413 0.734 1.255 59 1HG2 VAL 7 HG22 VAL 7 -5.800 3.241 -1.151 60 2HG2 VAL 7 HG21 VAL 7 -7.439 2.647 -1.412 61 3HG2 VAL 7 HG23 VAL 7 -6.820 2.835 0.228 62 H ASP 8 HN ASP 8 -5.156 0.008 -4.125 63 HA ASP 8 HA ASP 8 -4.865 2.259 -5.789 64 1HB ASP 8 HB2 ASP 8 -6.001 0.994 -7.522 65 2HB ASP 8 HB1 ASP 8 -4.987 -0.109 -6.591 66 H SER 9 HN SER 9 -7.044 2.811 -7.276 67 HA SER 9 HA SER 9 -8.542 4.592 -5.617 68 1HB SER 9 HB2 SER 9 -10.082 4.609 -7.738 69 2HB SER 9 HB1 SER 9 -8.448 5.255 -7.848 70 HG SER 9 HG SER 9 -8.799 2.523 -8.289 71 H GLY 10 HN GLY 10 -8.863 1.244 -5.897 72 1HA GLY 10 HA2 GLY 10 -11.791 1.340 -5.366 73 2HA GLY 10 HA1 GLY 10 -10.889 -0.107 -5.807 74 H ASN 11 HN ASN 11 -9.187 1.705 -3.477 75 HA ASN 11 HA ASN 11 -8.878 1.377 -1.169 76 1HB ASN 11 HB2 ASN 11 -11.550 1.552 -1.355 77 2HB ASN 11 HB1 ASN 11 -11.437 -0.153 -0.918 78 1HD2 ASN 11 HD22 ASN 11 -11.557 1.833 2.253 79 2HD2 ASN 11 HD21 ASN 11 -12.602 1.629 0.931 80 H CYS 12 HN CYS 12 -8.015 -0.428 -3.164 81 HA CYS 12 HA CYS 12 -8.116 -3.047 -1.769 82 1HB CYS 12 HB2 CYS 12 -7.177 -2.641 -4.602 83 2HB CYS 12 HB1 CYS 12 -7.840 -4.081 -3.849 84 H LYS 13 HN LYS 13 -6.392 -2.662 -0.335 85 HA LYS 13 HA LYS 13 -3.909 -1.446 -0.974 86 1HB LYS 13 HB2 LYS 13 -4.432 -1.818 1.329 87 2HB LYS 13 HB1 LYS 13 -4.706 -3.538 1.061 88 1HG LYS 13 HG2 LYS 13 -2.517 -3.104 2.139 89 2HG LYS 13 HG1 LYS 13 -2.339 -3.870 0.562 90 1HD LYS 13 HD2 LYS 13 -2.149 -1.436 -0.339 91 2HD LYS 13 HD1 LYS 13 -1.798 -1.016 1.337 92 1HE LYS 13 HE2 LYS 13 0.271 -1.923 1.241 93 2HE LYS 13 HE1 LYS 13 -0.319 -3.372 0.428 94 1HZ LYS 13 HZ1 LYS 13 0.057 -0.764 -0.912 95 2HZ LYS 13 HZ3 LYS 13 1.215 -2.000 -0.924 96 3HZ LYS 13 HZ2 LYS 13 -0.303 -2.246 -1.648 97 OH TYR 14 OH TYR 14 -2.743 1.202 -6.323 98 H TYR 14 HN TYR 14 -2.196 -2.188 -2.200 99 HA TYR 14 HA TYR 14 -2.454 -4.604 -3.720 100 1HB TYR 14 HB2 TYR 14 0.166 -3.195 -3.182 101 2HB TYR 14 HB1 TYR 14 -0.294 -4.138 -4.599 102 HD1 TYR 14 HD2 TYR 14 -2.005 -3.291 -6.180 103 HD2 TYR 14 HD1 TYR 14 -0.516 -0.896 -2.944 104 HE1 TYR 14 HE2 TYR 14 -2.922 -1.263 -7.262 105 HE2 TYR 14 HE1 TYR 14 -1.430 1.136 -4.025 106 HH TYR 14 HH TYR 14 -3.052 1.796 -5.635 107 H GLU 15 HN GLU 15 -2.397 -6.574 -2.827 108 HA GLU 15 HA GLU 15 -1.130 -7.192 -0.322 109 1HB GLU 15 HB2 GLU 15 -1.719 -9.189 -2.510 110 2HB GLU 15 HB1 GLU 15 -1.689 -9.463 -0.769 111 1HG GLU 15 HG2 GLU 15 -3.545 -7.436 -1.015 112 2HG GLU 15 HG1 GLU 15 -3.851 -8.408 -2.454 113 H CYS 16 HN CYS 16 0.527 -9.303 -0.542 114 HA CYS 16 HA CYS 16 2.568 -8.605 -2.591 115 1HB CYS 16 HB2 CYS 16 4.174 -7.920 -1.125 116 2HB CYS 16 HB1 CYS 16 2.783 -7.514 -0.127 117 H LEU 17 HN LEU 17 4.603 -10.116 -1.840 118 HA LEU 17 HA LEU 17 3.734 -12.857 -1.199 119 1HB LEU 17 HB2 LEU 17 5.227 -13.588 -3.244 120 2HB LEU 17 HB1 LEU 17 3.535 -13.175 -3.503 121 HG LEU 17 HG LEU 17 5.022 -10.751 -3.644 122 1HD1 LEU 17 HD11 LEU 17 6.816 -12.685 -4.143 123 2HD1 LEU 17 HD13 LEU 17 6.081 -12.584 -5.741 124 3HD1 LEU 17 HD12 LEU 17 6.822 -11.156 -5.020 125 1HD2 LEU 17 HD23 LEU 17 3.162 -12.371 -5.203 126 2HD2 LEU 17 HD22 LEU 17 3.311 -10.615 -5.123 127 3HD2 LEU 17 HD21 LEU 17 4.322 -11.537 -6.237 128 H LYS 18 HN LYS 18 6.322 -10.586 -2.039 129 HA LYS 18 HA LYS 18 8.030 -11.908 0.011 130 1HB LYS 18 HB2 LYS 18 8.667 -12.397 -2.469 131 2HB LYS 18 HB1 LYS 18 9.215 -10.720 -2.494 132 1HG LYS 18 HG2 LYS 18 11.041 -11.186 -1.234 133 2HG LYS 18 HG1 LYS 18 10.113 -12.189 -0.118 134 1HD LYS 18 HD2 LYS 18 10.088 -13.962 -1.966 135 2HD LYS 18 HD1 LYS 18 11.322 -12.990 -2.768 136 1HE LYS 18 HE2 LYS 18 12.301 -13.115 -0.208 137 2HE LYS 18 HE1 LYS 18 11.540 -14.696 -0.376 138 1HZ LYS 18 HZ1 LYS 18 12.759 -14.997 -2.458 139 2HZ LYS 18 HZ3 LYS 18 13.531 -13.505 -2.226 140 3HZ LYS 18 HZ2 LYS 18 13.808 -14.780 -1.139 141 H ASP 19 HN ASP 19 10.035 -10.204 0.327 142 HA ASP 19 HA ASP 19 8.704 -7.720 1.166 143 1HB ASP 19 HB2 ASP 19 10.414 -8.859 2.595 144 2HB ASP 19 HB1 ASP 19 11.631 -8.492 1.373 145 H ASP 20 HN ASP 20 10.948 -8.765 -1.353 146 HA ASP 20 HA ASP 20 11.760 -6.130 -2.169 147 1HB ASP 20 HB2 ASP 20 12.316 -7.408 -4.323 148 2HB ASP 20 HB1 ASP 20 13.141 -7.936 -2.865 149 OH TYR 21 OH TYR 21 2.094 -6.279 -6.912 150 H TYR 21 HN TYR 21 8.988 -8.179 -2.895 151 HA TYR 21 HA TYR 21 8.140 -6.756 -5.251 152 1HB TYR 21 HB2 TYR 21 7.191 -8.945 -4.757 153 2HB TYR 21 HB1 TYR 21 6.543 -8.358 -3.225 154 HD1 TYR 21 HD2 TYR 21 6.611 -6.365 -6.334 155 HD2 TYR 21 HD1 TYR 21 4.191 -8.760 -3.714 156 HE1 TYR 21 HE2 TYR 21 4.572 -5.575 -7.498 157 HE2 TYR 21 HE1 TYR 21 2.150 -7.972 -4.881 158 HH TYR 21 HH TYR 21 1.685 -7.034 -7.341 159 H CYS 22 HN CYS 22 7.360 -6.407 -1.796 160 HA CYS 22 HA CYS 22 5.487 -4.271 -2.102 161 1HB CYS 22 HB2 CYS 22 7.309 -5.084 0.168 162 2HB CYS 22 HB1 CYS 22 6.173 -3.748 0.300 163 H ASN 23 HN ASN 23 9.003 -4.239 -1.503 164 HA ASN 23 HA ASN 23 9.336 -1.423 -1.325 165 1HB ASN 23 HB2 ASN 23 11.112 -3.104 -0.839 166 2HB ASN 23 HB1 ASN 23 11.242 -3.448 -2.552 167 1HD2 ASN 23 HD22 ASN 23 13.203 -0.289 -1.062 168 2HD2 ASN 23 HD21 ASN 23 12.475 -1.477 -0.094 169 H ASP 24 HN ASP 24 9.901 -3.510 -4.112 170 HA ASP 24 HA ASP 24 10.282 -1.527 -6.073 171 1HB ASP 24 HB2 ASP 24 10.469 -3.993 -6.462 172 2HB ASP 24 HB1 ASP 24 8.717 -4.106 -6.437 173 H LEU 25 HN LEU 25 7.192 -3.255 -5.830 174 HA LEU 25 HA LEU 25 5.569 -1.477 -7.190 175 1HB LEU 25 HB2 LEU 25 4.611 -3.533 -6.491 176 2HB LEU 25 HB1 LEU 25 5.030 -3.251 -4.805 177 HG LEU 25 HG LEU 25 3.384 -1.080 -5.524 178 1HD1 LEU 25 HD12 LEU 25 2.760 -2.470 -7.528 179 2HD1 LEU 25 HD11 LEU 25 2.155 -3.699 -6.417 180 3HD1 LEU 25 HD13 LEU 25 1.407 -2.101 -6.460 181 1HD2 LEU 25 HD21 LEU 25 3.629 -2.797 -3.452 182 2HD2 LEU 25 HD23 LEU 25 2.208 -1.777 -3.676 183 3HD2 LEU 25 HD22 LEU 25 2.176 -3.459 -4.204 184 H CYS 26 HN CYS 26 6.917 -1.083 -3.998 185 HA CYS 26 HA CYS 26 5.191 1.030 -3.131 186 1HB CYS 26 HB2 CYS 26 7.709 -0.250 -2.216 187 2HB CYS 26 HB1 CYS 26 7.385 1.360 -1.615 188 H LEU 27 HN LEU 27 8.427 0.952 -4.596 189 HA LEU 27 HA LEU 27 8.916 3.730 -4.534 190 1HB LEU 27 HB2 LEU 27 9.978 1.430 -6.146 191 2HB LEU 27 HB1 LEU 27 10.443 3.081 -6.567 192 HG LEU 27 HG LEU 27 10.620 2.179 -3.706 193 1HD1 LEU 27 HD13 LEU 27 12.511 1.499 -5.958 194 2HD1 LEU 27 HD12 LEU 27 13.081 1.651 -4.295 195 3HD1 LEU 27 HD11 LEU 27 11.869 0.437 -4.706 196 1HD2 LEU 27 HD23 LEU 27 11.334 4.485 -5.264 197 2HD2 LEU 27 HD22 LEU 27 11.485 4.248 -3.523 198 3HD2 LEU 27 HD21 LEU 27 12.802 3.773 -4.595 199 H GLU 28 HN GLU 28 7.249 1.666 -6.878 200 HA GLU 28 HA GLU 28 6.938 3.663 -8.880 201 1HB GLU 28 HB2 GLU 28 5.710 1.030 -8.277 202 2HB GLU 28 HB1 GLU 28 4.757 2.121 -9.283 203 1HG GLU 28 HG2 GLU 28 7.666 1.686 -9.902 204 2HG GLU 28 HG1 GLU 28 6.471 0.498 -10.426 205 NH1 ARG 29 NH2 ARG 29 -0.875 4.061 -5.448 206 NH2 ARG 29 NH1 ARG 29 -0.888 3.621 -7.663 207 H ARG 29 HN ARG 29 5.059 2.719 -6.098 208 HA ARG 29 HA ARG 29 2.792 4.356 -6.523 209 1HB ARG 29 HB2 ARG 29 3.576 2.559 -4.594 210 2HB ARG 29 HB1 ARG 29 3.615 4.091 -3.720 211 1HG ARG 29 HG2 ARG 29 1.389 3.691 -3.441 212 2HG ARG 29 HG1 ARG 29 1.273 4.364 -5.067 213 1HD ARG 29 HD2 ARG 29 1.964 1.546 -5.133 214 2HD ARG 29 HD1 ARG 29 0.460 1.809 -4.257 215 HE ARG 29 HE ARG 29 0.721 1.876 -7.067 216 1HH1 ARG 29 HH21 ARG 29 -0.563 3.849 -4.524 217 2HH1 ARG 29 HH22 ARG 29 -1.540 4.794 -5.592 218 1HH2 ARG 29 HH11 ARG 29 -0.577 3.073 -8.440 219 2HH2 ARG 29 HH12 ARG 29 -1.559 4.349 -7.802 220 H LYS 30 HN LYS 30 5.990 5.173 -5.794 221 HA LYS 30 HA LYS 30 6.771 7.481 -5.958 222 1HB LYS 30 HB2 LYS 30 4.464 8.404 -6.137 223 2HB LYS 30 HB1 LYS 30 4.272 8.189 -4.395 224 1HG LYS 30 HG2 LYS 30 6.748 9.582 -5.083 225 2HG LYS 30 HG1 LYS 30 5.311 10.445 -5.628 226 1HD LYS 30 HD2 LYS 30 4.985 9.354 -2.932 227 2HD LYS 30 HD1 LYS 30 6.341 10.477 -3.039 228 1HE LYS 30 HE2 LYS 30 4.051 11.474 -4.523 229 2HE LYS 30 HE1 LYS 30 3.626 11.157 -2.841 230 1HZ LYS 30 HZ2 LYS 30 6.054 12.660 -3.624 231 2HZ LYS 30 HZ1 LYS 30 4.563 13.417 -3.327 232 3HZ LYS 30 HZ3 LYS 30 5.337 12.559 -2.086 233 H ALA 31 HN ALA 31 6.415 5.229 -3.692 234 HA ALA 31 HA ALA 31 7.289 6.841 -1.374 235 1HB ALA 31 HB3 ALA 31 6.003 4.322 -1.717 236 2HB ALA 31 HB2 ALA 31 7.546 4.019 -0.919 237 3HB ALA 31 HB1 ALA 31 6.388 5.140 -0.203 238 H ASP 32 HN ASP 32 9.341 6.383 -0.306 239 HA ASP 32 HA ASP 32 11.513 6.040 -2.159 240 1HB ASP 32 HB2 ASP 32 11.225 7.421 0.120 241 2HB ASP 32 HB1 ASP 32 11.952 5.963 0.771 242 H LYS 33 HN LYS 33 10.161 4.198 0.574 243 HA LYS 33 HA LYS 33 11.257 1.721 -0.612 244 1HB LYS 33 HB2 LYS 33 12.558 1.057 1.292 245 2HB LYS 33 HB1 LYS 33 13.064 2.697 0.890 246 1HG LYS 33 HG2 LYS 33 10.872 2.229 2.905 247 2HG LYS 33 HG1 LYS 33 12.566 2.135 3.381 248 1HD LYS 33 HD2 LYS 33 12.709 4.436 2.058 249 2HD LYS 33 HD1 LYS 33 10.990 4.501 2.450 250 1HE LYS 33 HE2 LYS 33 13.257 4.132 4.432 251 2HE LYS 33 HE1 LYS 33 12.292 5.594 4.219 252 1HZ LYS 33 HZ1 LYS 33 10.774 3.171 4.656 253 2HZ LYS 33 HZ3 LYS 33 11.722 3.659 5.975 254 3HZ LYS 33 HZ2 LYS 33 10.568 4.720 5.324 255 H GLY 34 HN GLY 34 10.366 -0.232 0.477 256 1HA GLY 34 HA2 GLY 34 8.330 0.036 2.510 257 2HA GLY 34 HA1 GLY 34 7.607 -0.108 0.913 258 OH TYR 35 OH TYR 35 6.752 -1.832 8.557 259 H TYR 35 HN TYR 35 7.855 -1.950 3.376 260 HA TYR 35 HA TYR 35 8.917 -4.329 1.899 261 1HB TYR 35 HB2 TYR 35 9.098 -5.405 4.163 262 2HB TYR 35 HB1 TYR 35 10.172 -4.031 3.952 263 HD1 TYR 35 HD1 TYR 35 6.718 -4.852 5.148 264 HD2 TYR 35 HD2 TYR 35 10.169 -2.329 5.574 265 HE1 TYR 35 HE1 TYR 35 5.677 -3.763 7.117 266 HE2 TYR 35 HE2 TYR 35 9.127 -1.240 7.546 267 HH TYR 35 HH TYR 35 7.402 -1.814 9.264 268 H CYS 36 HN CYS 36 7.706 -6.327 3.327 269 HA CYS 36 HA CYS 36 4.861 -5.797 2.652 270 1HB CYS 36 HB2 CYS 36 6.026 -7.658 1.489 271 2HB CYS 36 HB1 CYS 36 6.212 -8.461 3.044 272 OH TYR 37 OH TYR 37 3.313 -4.961 12.372 273 H TYR 37 HN TYR 37 3.384 -5.721 4.168 274 HA TYR 37 HA TYR 37 4.006 -6.819 6.869 275 1HB TYR 37 HB2 TYR 37 3.138 -4.301 6.277 276 2HB TYR 37 HB1 TYR 37 1.594 -5.122 6.481 277 HD1 TYR 37 HD1 TYR 37 2.910 -7.241 8.447 278 HD2 TYR 37 HD2 TYR 37 2.758 -2.950 8.323 279 HE1 TYR 37 HE1 TYR 37 3.200 -7.160 10.908 280 HE2 TYR 37 HE2 TYR 37 3.054 -2.869 10.784 281 HH TYR 37 HH TYR 37 3.031 -4.095 12.675 282 CH2 TRP 38 CH2 TRP 38 -1.151 -12.883 1.493 283 H TRP 38 HN TRP 38 3.551 -8.926 5.786 284 HA TRP 38 HA TRP 38 1.044 -9.603 4.621 285 1HB TRP 38 HB2 TRP 38 3.467 -10.935 5.368 286 2HB TRP 38 HB1 TRP 38 2.102 -11.889 5.941 287 HD1 TRP 38 HD1 TRP 38 4.180 -11.563 3.039 288 HE1 TRP 38 HE1 TRP 38 3.021 -12.422 0.906 289 HE3 TRP 38 HE3 TRP 38 -0.654 -11.784 4.684 290 HZ2 TRP 38 HZ2 TRP 38 0.396 -13.115 0.013 291 HZ3 TRP 38 HZ3 TRP 38 -2.459 -12.550 3.170 292 HH2 TRP 38 HH2 TRP 38 -1.943 -13.215 0.837 293 H GLY 39 HN GLY 39 2.115 -10.984 7.718 294 1HA GLY 39 HA2 GLY 39 -0.193 -11.906 8.776 295 2HA GLY 39 HA1 GLY 39 0.959 -11.052 9.799 296 H LYS 40 HN LYS 40 0.591 -8.488 8.453 297 HA LYS 40 HA LYS 40 -1.735 -7.592 9.944 298 1HB LYS 40 HB2 LYS 40 0.534 -6.369 8.610 299 2HB LYS 40 HB1 LYS 40 -0.963 -5.527 8.209 300 1HG LYS 40 HG2 LYS 40 -0.002 -6.177 11.012 301 2HG LYS 40 HG1 LYS 40 0.036 -4.584 10.256 302 1HD LYS 40 HD2 LYS 40 -2.488 -4.831 9.930 303 2HD LYS 40 HD1 LYS 40 -2.394 -6.216 11.017 304 1HE LYS 40 HE2 LYS 40 -2.965 -4.190 12.282 305 2HE LYS 40 HE1 LYS 40 -1.367 -4.771 12.750 306 1HZ LYS 40 HZ2 LYS 40 -1.399 -2.921 10.526 307 2HZ LYS 40 HZ1 LYS 40 -1.895 -2.256 12.009 308 3HZ LYS 40 HZ3 LYS 40 -0.368 -2.984 11.875 309 H VAL 41 HN VAL 41 -0.957 -7.475 6.415 310 HA VAL 41 HA VAL 41 -3.527 -8.411 5.628 311 HB VAL 41 HB VAL 41 -4.480 -6.463 6.591 312 1HG1 VAL 41 HG12 VAL 41 -2.093 -5.332 6.541 313 2HG1 VAL 41 HG11 VAL 41 -2.701 -4.611 5.051 314 3HG1 VAL 41 HG13 VAL 41 -3.548 -4.338 6.574 315 1HG2 VAL 41 HG22 VAL 41 -4.674 -6.965 3.878 316 2HG2 VAL 41 HG21 VAL 41 -5.711 -5.861 4.782 317 3HG2 VAL 41 HG23 VAL 41 -4.297 -5.244 3.927 318 H SER 42 HN SER 42 -0.879 -6.164 4.725 319 HA SER 42 HA SER 42 -0.547 -7.542 2.158 320 1HB SER 42 HB2 SER 42 -1.639 -4.732 2.144 321 2HB SER 42 HB1 SER 42 -1.229 -5.693 0.731 322 HG SER 42 HG SER 42 -2.854 -7.140 1.312 323 H CYS 43 HN CYS 43 0.488 -5.243 0.799 324 HA CYS 43 HA CYS 43 3.200 -5.257 1.724 325 1HB CYS 43 HB2 CYS 43 1.637 -3.863 -0.400 326 2HB CYS 43 HB1 CYS 43 3.167 -3.130 0.067 327 OH TYR 44 OH TYR 44 2.941 2.319 8.326 328 H TYR 44 HN TYR 44 4.279 -2.897 1.771 329 HA TYR 44 HA TYR 44 2.748 -0.916 3.291 330 1HB TYR 44 HB2 TYR 44 3.572 -2.743 4.934 331 2HB TYR 44 HB1 TYR 44 5.176 -2.068 4.662 332 HD1 TYR 44 HD2 TYR 44 1.729 -1.244 5.764 333 HD2 TYR 44 HD1 TYR 44 5.831 0.002 5.675 334 HE1 TYR 44 HE2 TYR 44 1.207 0.565 7.364 335 HE2 TYR 44 HE1 TYR 44 5.317 1.816 7.285 336 HH TYR 44 HH TYR 44 3.645 2.343 8.979 337 H CYS 45 HN CYS 45 3.420 0.943 2.337 338 HA CYS 45 HA CYS 45 6.216 1.083 1.301 339 1HB CYS 45 HB2 CYS 45 3.837 2.868 0.720 340 2HB CYS 45 HB1 CYS 45 5.420 2.981 -0.041 341 OH TYR 46 OH TYR 46 7.437 0.191 7.678 342 H TYR 46 HN TYR 46 7.126 3.326 1.344 343 HA TYR 46 HA TYR 46 6.459 4.911 3.766 344 1HB TYR 46 HB2 TYR 46 9.192 3.806 3.071 345 2HB TYR 46 HB1 TYR 46 8.921 5.059 4.274 346 HD1 TYR 46 HD2 TYR 46 8.461 1.515 3.443 347 HD2 TYR 46 HD1 TYR 46 7.892 4.537 6.416 348 HE1 TYR 46 HE2 TYR 46 8.006 -0.242 5.133 349 HE2 TYR 46 HE1 TYR 46 7.432 2.794 8.114 350 HH TYR 46 HH TYR 46 8.171 0.182 8.297 351 H GLY 47 HN GLY 47 5.816 6.644 2.455 352 1HA GLY 47 HA2 GLY 47 7.087 8.737 1.619 353 2HA GLY 47 HA1 GLY 47 7.801 7.630 0.451 354 H LEU 48 HN LEU 48 4.499 7.055 1.319 355 HA LEU 48 HA LEU 48 3.633 7.518 -1.408 356 1HB LEU 48 HB2 LEU 48 2.014 7.032 1.117 357 2HB LEU 48 HB1 LEU 48 1.398 6.932 -0.532 358 HG LEU 48 HG LEU 48 3.711 5.262 0.482 359 1HD1 LEU 48 HD13 LEU 48 1.039 5.021 1.251 360 2HD1 LEU 48 HD12 LEU 48 1.215 3.856 -0.062 361 3HD1 LEU 48 HD11 LEU 48 2.267 3.759 1.350 362 1HD2 LEU 48 HD22 LEU 48 2.000 5.288 -2.012 363 2HD2 LEU 48 HD21 LEU 48 3.755 5.421 -1.897 364 3HD2 LEU 48 HD23 LEU 48 2.963 3.884 -1.553 365 HA PRO 49 HA PRO 49 2.510 11.729 -1.284 366 1HB PRO 49 HB2 PRO 49 -0.194 11.345 -2.235 367 2HB PRO 49 HB1 PRO 49 1.215 11.916 -3.139 368 1HG PRO 49 HG2 PRO 49 -0.066 9.361 -3.370 369 2HG PRO 49 HG1 PRO 49 1.399 9.905 -4.196 370 1HD PRO 49 HD2 PRO 49 1.176 7.987 -2.040 371 2HD PRO 49 HD1 PRO 49 2.638 8.486 -2.916 372 H ASP 50 HN ASP 50 1.224 13.240 -0.023 373 HA ASP 50 HA ASP 50 0.378 12.351 2.501 374 1HB ASP 50 HB2 ASP 50 0.412 14.839 1.022 375 2HB ASP 50 HB1 ASP 50 -1.026 14.700 2.022 376 H ASN 51 HN ASN 51 -1.626 13.478 -0.169 377 HA ASN 51 HA ASN 51 -4.060 12.517 1.000 378 1HB ASN 51 HB2 ASN 51 -4.942 13.070 -1.325 379 2HB ASN 51 HB1 ASN 51 -4.229 14.406 -0.440 380 1HD2 ASN 51 HD22 ASN 51 -2.612 14.740 -3.666 381 2HD2 ASN 51 HD21 ASN 51 -4.056 15.148 -2.872 382 H SER 52 HN SER 52 -1.541 10.844 -0.297 383 HA SER 52 HA SER 52 -2.495 9.078 -2.205 384 1HB SER 52 HB2 SER 52 -0.196 9.095 -1.099 385 2HB SER 52 HB1 SER 52 -0.915 8.141 0.195 386 HG SER 52 HG SER 52 -1.355 6.529 -1.249 387 HA PRO 53 HA PRO 53 -6.098 7.513 -0.035 388 1HB PRO 53 HB2 PRO 53 -6.502 5.673 -2.212 389 2HB PRO 53 HB1 PRO 53 -7.399 7.157 -1.860 390 1HG PRO 53 HG2 PRO 53 -5.489 6.709 -3.980 391 2HG PRO 53 HG1 PRO 53 -6.408 8.181 -3.636 392 1HD PRO 53 HD2 PRO 53 -3.599 7.729 -3.219 393 2HD PRO 53 HD1 PRO 53 -4.533 9.190 -2.838 394 H THR 54 HN THR 54 -5.749 6.055 1.589 395 HA THR 54 HA THR 54 -4.423 3.466 0.890 396 HB THR 54 HB THR 54 -3.207 3.491 2.957 397 HG1 THR 54 HG1 THR 54 -3.578 5.028 4.510 398 1HG2 THR 54 HG23 THR 54 -2.939 5.573 1.021 399 2HG2 THR 54 HG22 THR 54 -2.572 6.250 2.607 400 3HG2 THR 54 HG21 THR 54 -1.682 4.845 2.021 401 H LYS 55 HN LYS 55 -4.900 1.806 2.727 402 HA LYS 55 HA LYS 55 -7.569 1.152 2.850 403 1HB LYS 55 HB2 LYS 55 -5.830 -0.350 3.689 404 2HB LYS 55 HB1 LYS 55 -5.518 0.735 5.043 405 1HG LYS 55 HG2 LYS 55 -7.016 -1.247 5.578 406 2HG LYS 55 HG1 LYS 55 -7.688 0.333 5.982 407 1HD LYS 55 HD2 LYS 55 -9.310 -1.190 4.802 408 2HD LYS 55 HD1 LYS 55 -9.039 0.343 3.972 409 1HE LYS 55 HE2 LYS 55 -7.507 -0.697 2.414 410 2HE LYS 55 HE1 LYS 55 -7.552 -2.214 3.313 411 1HZ LYS 55 HZ2 LYS 55 -10.145 -1.810 2.850 412 2HZ LYS 55 HZ1 LYS 55 -9.477 -1.106 1.455 413 3HZ LYS 55 HZ3 LYS 55 -9.140 -2.725 1.834 414 H THR 56 HN THR 56 -8.971 2.911 3.184 415 HA THR 56 HA THR 56 -8.665 4.685 5.467 416 HB THR 56 HB THR 56 -10.982 4.270 3.564 417 HG1 THR 56 HG1 THR 56 -10.143 6.045 2.552 418 1HG2 THR 56 HG21 THR 56 -11.368 5.303 5.945 419 2HG2 THR 56 HG23 THR 56 -10.546 6.708 5.266 420 3HG2 THR 56 HG22 THR 56 -12.037 6.116 4.530 421 H SER 57 HN SER 57 -11.729 3.156 4.821 422 HA SER 57 HA SER 57 -11.604 1.497 7.202 423 1HB SER 57 HB2 SER 57 -13.320 2.599 8.448 424 2HB SER 57 HB1 SER 57 -12.184 3.861 7.981 425 HG SER 57 HG SER 57 -14.348 4.456 7.547 426 H GLY 58 HN GLY 58 -11.903 0.407 4.841 427 1HA GLY 58 HA2 GLY 58 -14.614 -0.660 4.867 428 2HA GLY 58 HA1 GLY 58 -14.290 0.331 3.444 429 H LYS 59 HN LYS 59 -14.652 -1.806 2.323 430 HA LYS 59 HA LYS 59 -12.122 -3.406 2.318 431 1HB LYS 59 HB2 LYS 59 -14.875 -4.251 2.594 432 2HB LYS 59 HB1 LYS 59 -14.168 -4.947 1.134 433 1HG LYS 59 HG2 LYS 59 -12.519 -4.983 3.625 434 2HG LYS 59 HG1 LYS 59 -13.865 -6.119 3.513 435 1HD LYS 59 HD2 LYS 59 -12.613 -6.237 1.004 436 2HD LYS 59 HD1 LYS 59 -11.291 -6.196 2.172 437 1HE LYS 59 HE2 LYS 59 -13.015 -7.943 3.381 438 2HE LYS 59 HE1 LYS 59 -13.301 -8.301 1.678 439 1HZ LYS 59 HZ3 LYS 59 -10.907 -8.551 1.384 440 2HZ LYS 59 HZ2 LYS 59 -10.661 -8.254 3.038 441 3HZ LYS 59 HZ1 LYS 59 -11.504 -9.642 2.536 442 H CYS 60 HN CYS 60 -11.410 -4.137 0.229 443 HA CYS 60 HA CYS 60 -11.567 -2.262 -1.869 444 1HB CYS 60 HB2 CYS 60 -9.785 -3.878 -1.851 445 2HB CYS 60 HB1 CYS 60 -10.923 -5.222 -1.901 446 H ASN 61 HN ASN 61 -13.671 -1.682 -2.508 447 HA ASN 61 HA ASN 61 -15.296 -3.912 -3.663 448 1HB ASN 61 HB2 ASN 61 -16.362 -2.868 -1.660 449 2HB ASN 61 HB1 ASN 61 -16.354 -1.319 -2.509 450 1HD2 ASN 61 HD22 ASN 61 -19.650 -3.014 -3.156 451 2HD2 ASN 61 HD21 ASN 61 -18.835 -2.522 -1.750 452 HA PRO 62 HA PRO 62 -14.395 -1.669 -7.426 453 1HB PRO 62 HB2 PRO 62 -16.419 -3.240 -8.753 454 2HB PRO 62 HB1 PRO 62 -14.661 -3.392 -8.885 455 1HG PRO 62 HG2 PRO 62 -16.483 -5.160 -7.521 456 2HG PRO 62 HG1 PRO 62 -14.724 -5.305 -7.647 457 1HD PRO 62 HD2 PRO 62 -16.259 -4.591 -5.323 458 2HD PRO 62 HD1 PRO 62 -14.494 -4.690 -5.471 459 H ALA 63 HN ALA 63 -15.336 0.375 -7.077 460 HA ALA 63 HA ALA 63 -18.255 0.555 -7.693 461 1HB ALA 63 HB2 ALA 63 -17.134 1.085 -5.201 462 2HB ALA 63 HB1 ALA 63 -17.287 2.681 -5.936 463 3HB ALA 63 HB3 ALA 63 -18.707 1.649 -5.768 Start of MODEL 5 Raw file had 463 H/Q atoms Start of MODEL 5 1 1H LYS 1 HT3 LYS 1 3.171 13.715 2.959 2 2H LYS 1 HT2 LYS 1 4.804 14.183 2.912 3 3H LYS 1 HT1 LYS 1 3.873 14.191 1.491 4 HA LYS 1 HA LYS 1 3.856 11.905 1.302 5 1HB LYS 1 HB2 LYS 1 6.509 12.588 2.611 6 2HB LYS 1 HB1 LYS 1 6.205 11.224 1.533 7 1HG LYS 1 HG2 LYS 1 5.407 13.002 -0.169 8 2HG LYS 1 HG1 LYS 1 6.223 14.167 0.873 9 1HD LYS 1 HD2 LYS 1 7.614 11.680 -0.123 10 2HD LYS 1 HD1 LYS 1 7.605 13.179 -1.053 11 1HE LYS 1 HE2 LYS 1 8.257 13.881 1.616 12 2HE LYS 1 HE1 LYS 1 9.248 12.483 1.202 13 1HZ LYS 1 HZ3 LYS 1 9.541 13.842 -1.010 14 2HZ LYS 1 HZ2 LYS 1 9.206 15.154 0.015 15 3HZ LYS 1 HZ1 LYS 1 10.524 14.133 0.341 16 H LYS 2 HN LYS 2 4.031 9.767 2.332 17 HA LYS 2 HA LYS 2 4.503 9.500 5.159 18 1HB LYS 2 HB2 LYS 2 2.008 8.828 5.588 19 2HB LYS 2 HB1 LYS 2 2.463 10.531 5.640 20 1HG LYS 2 HG2 LYS 2 0.537 10.512 4.278 21 2HG LYS 2 HG1 LYS 2 1.862 10.557 3.117 22 1HD LYS 2 HD2 LYS 2 1.278 8.557 2.260 23 2HD LYS 2 HD1 LYS 2 1.227 7.822 3.863 24 1HE LYS 2 HE2 LYS 2 -1.022 7.883 3.872 25 2HE LYS 2 HE1 LYS 2 -1.012 9.615 3.539 26 1HZ LYS 2 HZ2 LYS 2 -0.658 7.507 1.480 27 2HZ LYS 2 HZ1 LYS 2 -2.129 8.292 1.805 28 3HZ LYS 2 HZ3 LYS 2 -0.811 9.178 1.211 29 H ASP 3 HN ASP 3 4.249 7.290 5.864 30 HA ASP 3 HA ASP 3 4.567 5.334 3.703 31 1HB ASP 3 HB2 ASP 3 4.235 4.619 6.602 32 2HB ASP 3 HB1 ASP 3 5.305 3.900 5.396 33 H GLY 4 HN GLY 4 3.168 3.207 3.931 34 1HA GLY 4 HA2 GLY 4 0.836 2.794 5.230 35 2HA GLY 4 HA1 GLY 4 0.340 4.083 4.141 36 OH TYR 5 OH TYR 5 0.595 -2.037 7.538 37 H TYR 5 HN TYR 5 -1.149 2.127 3.584 38 HA TYR 5 HA TYR 5 0.177 0.393 1.545 39 1HB TYR 5 HB2 TYR 5 -2.579 -0.026 2.701 40 2HB TYR 5 HB1 TYR 5 -1.555 -1.195 1.870 41 HD1 TYR 5 HD1 TYR 5 -1.686 0.943 4.945 42 HD2 TYR 5 HD2 TYR 5 -0.150 -2.604 3.081 43 HE1 TYR 5 HE1 TYR 5 -0.756 0.198 7.121 44 HE2 TYR 5 HE2 TYR 5 0.787 -3.347 5.248 45 HH TYR 5 HH TYR 5 -0.054 -1.847 8.220 46 HA PRO 6 HA PRO 6 -2.036 3.129 -1.268 47 1HB PRO 6 HB2 PRO 6 -0.962 1.708 -3.489 48 2HB PRO 6 HB1 PRO 6 -0.376 3.239 -2.821 49 1HG PRO 6 HG2 PRO 6 0.871 0.622 -2.657 50 2HG PRO 6 HG1 PRO 6 1.502 2.174 -2.091 51 1HD PRO 6 HD2 PRO 6 0.457 0.013 -0.497 52 2HD PRO 6 HD1 PRO 6 1.071 1.581 0.065 53 H VAL 7 HN VAL 7 -4.147 2.719 -1.864 54 HA VAL 7 HA VAL 7 -4.879 -0.108 -2.522 55 HB VAL 7 HB VAL 7 -7.157 0.488 -1.812 56 1HG1 VAL 7 HG11 VAL 7 -4.896 1.114 0.095 57 2HG1 VAL 7 HG13 VAL 7 -6.576 1.031 0.623 58 3HG1 VAL 7 HG12 VAL 7 -5.796 -0.395 -0.060 59 1HG2 VAL 7 HG21 VAL 7 -5.881 3.196 -1.334 60 2HG2 VAL 7 HG23 VAL 7 -7.222 2.827 -2.417 61 3HG2 VAL 7 HG22 VAL 7 -7.448 2.731 -0.670 62 H ASP 8 HN ASP 8 -5.936 -0.519 -4.452 63 HA ASP 8 HA ASP 8 -5.662 1.335 -6.603 64 1HB ASP 8 HB2 ASP 8 -7.004 -0.243 -7.901 65 2HB ASP 8 HB1 ASP 8 -5.880 -1.141 -6.880 66 H SER 9 HN SER 9 -8.141 1.361 -7.911 67 HA SER 9 HA SER 9 -9.440 3.566 -6.533 68 1HB SER 9 HB2 SER 9 -10.613 3.883 -8.509 69 2HB SER 9 HB1 SER 9 -9.209 3.007 -9.116 70 HG SER 9 HG SER 9 -10.617 1.073 -8.602 71 H GLY 10 HN GLY 10 -9.628 0.320 -5.961 72 1HA GLY 10 HA2 GLY 10 -12.543 0.419 -5.329 73 2HA GLY 10 HA1 GLY 10 -11.609 -1.065 -5.514 74 H ASN 11 HN ASN 11 -9.626 0.963 -3.848 75 HA ASN 11 HA ASN 11 -9.178 1.307 -1.560 76 1HB ASN 11 HB2 ASN 11 -11.997 1.005 -1.600 77 2HB ASN 11 HB1 ASN 11 -11.397 -0.064 -0.331 78 1HD2 ASN 11 HD22 ASN 11 -11.831 3.313 1.187 79 2HD2 ASN 11 HD21 ASN 11 -12.860 2.159 0.487 80 H CYS 12 HN CYS 12 -8.251 -0.872 -3.027 81 HA CYS 12 HA CYS 12 -8.225 -3.052 -0.978 82 1HB CYS 12 HB2 CYS 12 -8.458 -3.100 -3.921 83 2HB CYS 12 HB1 CYS 12 -7.281 -4.232 -3.262 84 H LYS 13 HN LYS 13 -6.315 -3.030 0.099 85 HA LYS 13 HA LYS 13 -4.002 -1.578 -0.820 86 1HB LYS 13 HB2 LYS 13 -4.035 -3.760 1.279 87 2HB LYS 13 HB1 LYS 13 -2.904 -2.413 1.148 88 1HG LYS 13 HG2 LYS 13 -4.411 -0.886 1.992 89 2HG LYS 13 HG1 LYS 13 -5.805 -1.759 1.357 90 1HD LYS 13 HD2 LYS 13 -5.789 -1.974 3.783 91 2HD LYS 13 HD1 LYS 13 -5.409 -3.541 3.071 92 1HE LYS 13 HE2 LYS 13 -3.628 -3.510 4.481 93 2HE LYS 13 HE1 LYS 13 -2.914 -2.429 3.284 94 1HZ LYS 13 HZ1 LYS 13 -4.565 -1.512 5.574 95 2HZ LYS 13 HZ3 LYS 13 -2.869 -1.564 5.590 96 3HZ LYS 13 HZ2 LYS 13 -3.676 -0.543 4.497 97 OH TYR 14 OH TYR 14 -3.157 0.269 -7.327 98 H TYR 14 HN TYR 14 -2.507 -2.248 -2.294 99 HA TYR 14 HA TYR 14 -2.583 -4.708 -3.659 100 1HB TYR 14 HB2 TYR 14 -0.136 -2.995 -3.095 101 2HB TYR 14 HB1 TYR 14 -0.253 -4.234 -4.344 102 HD1 TYR 14 HD1 TYR 14 -1.849 -3.957 -6.246 103 HD2 TYR 14 HD2 TYR 14 -1.137 -0.827 -3.392 104 HE1 TYR 14 HE1 TYR 14 -2.874 -2.315 -7.793 105 HE2 TYR 14 HE2 TYR 14 -2.162 0.818 -4.940 106 HH TYR 14 HH TYR 14 -3.474 1.010 -6.805 107 H GLU 15 HN GLU 15 -2.222 -6.729 -2.896 108 HA GLU 15 HA GLU 15 -1.386 -7.333 -0.267 109 1HB GLU 15 HB2 GLU 15 -1.400 -8.929 -2.815 110 2HB GLU 15 HB1 GLU 15 -0.890 -9.628 -1.278 111 1HG GLU 15 HG2 GLU 15 -3.029 -9.296 -0.291 112 2HG GLU 15 HG1 GLU 15 -3.534 -8.196 -1.575 113 H CYS 16 HN CYS 16 0.581 -9.157 -0.246 114 HA CYS 16 HA CYS 16 2.969 -8.261 -1.655 115 1HB CYS 16 HB2 CYS 16 4.191 -7.436 0.231 116 2HB CYS 16 HB1 CYS 16 2.649 -6.586 0.206 117 H LEU 17 HN LEU 17 4.784 -9.681 -1.239 118 HA LEU 17 HA LEU 17 4.176 -12.099 0.396 119 1HB LEU 17 HB2 LEU 17 5.217 -12.133 -2.457 120 2HB LEU 17 HB1 LEU 17 4.988 -13.547 -1.426 121 HG LEU 17 HG LEU 17 2.572 -12.018 -1.411 122 1HD1 LEU 17 HD13 LEU 17 3.592 -11.217 -3.633 123 2HD1 LEU 17 HD12 LEU 17 3.366 -12.872 -4.200 124 3HD1 LEU 17 HD11 LEU 17 1.972 -11.909 -3.710 125 1HD2 LEU 17 HD21 LEU 17 2.886 -14.478 -1.014 126 2HD2 LEU 17 HD23 LEU 17 1.625 -14.125 -2.194 127 3HD2 LEU 17 HD22 LEU 17 3.211 -14.674 -2.736 128 H LYS 18 HN LYS 18 6.565 -10.258 -1.459 129 HA LYS 18 HA LYS 18 8.663 -11.232 0.439 130 1HB LYS 18 HB2 LYS 18 9.048 -10.148 -2.371 131 2HB LYS 18 HB1 LYS 18 10.301 -10.812 -1.324 132 1HG LYS 18 HG2 LYS 18 9.217 -13.004 -1.356 133 2HG LYS 18 HG1 LYS 18 7.896 -12.357 -2.328 134 1HD LYS 18 HD2 LYS 18 10.066 -11.602 -3.815 135 2HD LYS 18 HD1 LYS 18 10.621 -13.138 -3.148 136 1HE LYS 18 HE2 LYS 18 8.363 -14.101 -3.886 137 2HE LYS 18 HE1 LYS 18 8.159 -12.621 -4.823 138 1HZ LYS 18 HZ2 LYS 18 10.533 -14.387 -5.041 139 2HZ LYS 18 HZ1 LYS 18 9.181 -14.504 -6.062 140 3HZ LYS 18 HZ3 LYS 18 10.115 -13.089 -6.054 141 H ASP 19 HN ASP 19 10.494 -9.475 0.602 142 HA ASP 19 HA ASP 19 9.176 -6.976 1.412 143 1HB ASP 19 HB2 ASP 19 10.829 -7.756 2.935 144 2HB ASP 19 HB1 ASP 19 11.991 -8.055 1.643 145 H ASP 20 HN ASP 20 11.132 -8.158 -1.228 146 HA ASP 20 HA ASP 20 11.927 -5.533 -2.185 147 1HB ASP 20 HB2 ASP 20 13.218 -6.743 -3.596 148 2HB ASP 20 HB1 ASP 20 12.716 -8.141 -2.664 149 OH TYR 21 OH TYR 21 1.855 -5.644 -5.608 150 H TYR 21 HN TYR 21 9.235 -7.767 -2.895 151 HA TYR 21 HA TYR 21 8.238 -6.459 -5.200 152 1HB TYR 21 HB2 TYR 21 7.198 -8.513 -4.600 153 2HB TYR 21 HB1 TYR 21 6.879 -7.963 -2.957 154 HD1 TYR 21 HD2 TYR 21 6.372 -6.014 -6.077 155 HD2 TYR 21 HD1 TYR 21 4.490 -8.152 -2.863 156 HE1 TYR 21 HE2 TYR 21 4.168 -5.130 -6.782 157 HE2 TYR 21 HE1 TYR 21 2.284 -7.267 -3.568 158 HH TYR 21 HH TYR 21 1.406 -5.319 -4.824 159 H CYS 22 HN CYS 22 7.720 -5.811 -1.762 160 HA CYS 22 HA CYS 22 5.851 -3.663 -2.131 161 1HB CYS 22 HB2 CYS 22 7.711 -4.286 0.172 162 2HB CYS 22 HB1 CYS 22 6.386 -3.127 0.231 163 H ASN 23 HN ASN 23 9.343 -3.576 -1.329 164 HA ASN 23 HA ASN 23 9.664 -0.776 -1.338 165 1HB ASN 23 HB2 ASN 23 11.377 -2.605 -0.792 166 2HB ASN 23 HB1 ASN 23 11.672 -2.722 -2.510 167 1HD2 ASN 23 HD22 ASN 23 13.421 0.347 -2.703 168 2HD2 ASN 23 HD21 ASN 23 12.653 -0.899 -3.562 169 H ASP 24 HN ASP 24 10.074 -3.034 -4.010 170 HA ASP 24 HA ASP 24 10.652 -1.136 -6.047 171 1HB ASP 24 HB2 ASP 24 10.796 -3.706 -6.123 172 2HB ASP 24 HB1 ASP 24 9.079 -3.678 -6.498 173 H LEU 25 HN LEU 25 7.547 -2.881 -5.854 174 HA LEU 25 HA LEU 25 6.011 -1.225 -7.454 175 1HB LEU 25 HB2 LEU 25 4.983 -3.199 -6.640 176 2HB LEU 25 HB1 LEU 25 5.355 -2.806 -4.966 177 HG LEU 25 HG LEU 25 3.741 -0.685 -5.964 178 1HD1 LEU 25 HD12 LEU 25 3.239 -2.945 -7.491 179 2HD1 LEU 25 HD11 LEU 25 2.025 -3.047 -6.215 180 3HD1 LEU 25 HD13 LEU 25 2.111 -1.612 -7.237 181 1HD2 LEU 25 HD23 LEU 25 3.246 -3.019 -4.088 182 2HD2 LEU 25 HD22 LEU 25 3.738 -1.383 -3.646 183 3HD2 LEU 25 HD21 LEU 25 2.118 -1.676 -4.280 184 H CYS 26 HN CYS 26 7.102 -0.667 -4.193 185 HA CYS 26 HA CYS 26 5.439 1.543 -3.533 186 1HB CYS 26 HB2 CYS 26 7.960 0.312 -2.508 187 2HB CYS 26 HB1 CYS 26 7.542 1.908 -1.936 188 H LEU 27 HN LEU 27 8.719 1.314 -4.863 189 HA LEU 27 HA LEU 27 9.274 4.073 -4.947 190 1HB LEU 27 HB2 LEU 27 11.253 3.424 -5.867 191 2HB LEU 27 HB1 LEU 27 10.700 1.816 -5.421 192 HG LEU 27 HG LEU 27 9.510 2.207 -7.881 193 1HD1 LEU 27 HD13 LEU 27 10.854 4.267 -8.199 194 2HD1 LEU 27 HD12 LEU 27 12.324 3.324 -7.960 195 3HD1 LEU 27 HD11 LEU 27 11.296 3.015 -9.359 196 1HD2 LEU 27 HD23 LEU 27 12.013 0.830 -6.951 197 2HD2 LEU 27 HD22 LEU 27 10.465 0.121 -7.412 198 3HD2 LEU 27 HD21 LEU 27 11.542 0.766 -8.650 199 H GLU 28 HN GLU 28 7.498 1.997 -7.133 200 HA GLU 28 HA GLU 28 7.392 3.841 -9.309 201 1HB GLU 28 HB2 GLU 28 5.957 1.351 -8.540 202 2HB GLU 28 HB1 GLU 28 5.191 2.389 -9.742 203 1HG GLU 28 HG2 GLU 28 6.584 0.789 -10.915 204 2HG GLU 28 HG1 GLU 28 7.352 2.373 -11.031 205 NH1 ARG 29 NH2 ARG 29 1.201 3.766 -7.965 206 NH2 ARG 29 NH1 ARG 29 0.164 2.050 -8.997 207 H ARG 29 HN ARG 29 5.438 3.277 -6.481 208 HA ARG 29 HA ARG 29 3.422 5.214 -7.281 209 1HB ARG 29 HB2 ARG 29 3.773 4.026 -4.533 210 2HB ARG 29 HB1 ARG 29 2.292 4.649 -5.264 211 1HG ARG 29 HG2 ARG 29 2.988 2.756 -7.093 212 2HG ARG 29 HG1 ARG 29 3.611 2.023 -5.616 213 1HD ARG 29 HD2 ARG 29 1.542 1.516 -4.914 214 2HD ARG 29 HD1 ARG 29 0.990 3.168 -5.156 215 HE ARG 29 HE ARG 29 0.311 0.973 -6.803 216 1HH1 ARG 29 HH21 ARG 29 1.588 4.179 -7.144 217 2HH1 ARG 29 HH22 ARG 29 1.182 4.284 -8.820 218 1HH2 ARG 29 HH11 ARG 29 -0.239 1.136 -8.967 219 2HH2 ARG 29 HH12 ARG 29 0.133 2.584 -9.842 220 H LYS 30 HN LYS 30 6.490 5.623 -6.335 221 HA LYS 30 HA LYS 30 7.541 7.695 -5.808 222 1HB LYS 30 HB2 LYS 30 5.311 8.844 -6.230 223 2HB LYS 30 HB1 LYS 30 4.952 8.586 -4.522 224 1HG LYS 30 HG2 LYS 30 7.614 9.686 -4.853 225 2HG LYS 30 HG1 LYS 30 6.405 10.722 -5.612 226 1HD LYS 30 HD2 LYS 30 5.639 9.676 -2.950 227 2HD LYS 30 HD1 LYS 30 7.011 10.783 -2.943 228 1HE LYS 30 HE2 LYS 30 4.328 11.341 -4.247 229 2HE LYS 30 HE1 LYS 30 4.862 11.993 -2.697 230 1HZ LYS 30 HZ2 LYS 30 6.826 12.415 -4.697 231 2HZ LYS 30 HZ1 LYS 30 5.333 13.057 -5.196 232 3HZ LYS 30 HZ3 LYS 30 6.021 13.556 -3.727 233 H ALA 31 HN ALA 31 7.921 5.459 -4.303 234 HA ALA 31 HA ALA 31 7.827 6.569 -1.530 235 1HB ALA 31 HB3 ALA 31 7.448 3.722 -2.456 236 2HB ALA 31 HB2 ALA 31 7.855 4.130 -0.790 237 3HB ALA 31 HB1 ALA 31 6.346 4.709 -1.496 238 H ASP 32 HN ASP 32 9.690 6.395 -0.351 239 HA ASP 32 HA ASP 32 12.155 6.056 -1.788 240 1HB ASP 32 HB2 ASP 32 11.492 7.556 0.303 241 2HB ASP 32 HB1 ASP 32 12.039 6.141 1.189 242 H LYS 33 HN LYS 33 10.548 4.351 0.900 243 HA LYS 33 HA LYS 33 11.838 1.848 -0.049 244 1HB LYS 33 HB2 LYS 33 12.701 1.238 2.111 245 2HB LYS 33 HB1 LYS 33 13.298 2.857 1.755 246 1HG LYS 33 HG2 LYS 33 10.707 2.640 3.219 247 2HG LYS 33 HG1 LYS 33 12.175 2.251 4.108 248 1HD LYS 33 HD2 LYS 33 12.490 4.665 2.502 249 2HD LYS 33 HD1 LYS 33 11.169 4.811 3.663 250 1HE LYS 33 HE2 LYS 33 13.681 3.577 4.669 251 2HE LYS 33 HE1 LYS 33 13.737 5.306 4.322 252 1HZ LYS 33 HZ1 LYS 33 11.430 5.156 5.609 253 2HZ LYS 33 HZ3 LYS 33 12.238 3.865 6.356 254 3HZ LYS 33 HZ2 LYS 33 12.910 5.425 6.398 255 H GLY 34 HN GLY 34 10.790 -0.098 0.908 256 1HA GLY 34 HA2 GLY 34 8.347 0.165 2.439 257 2HA GLY 34 HA1 GLY 34 8.007 -0.073 0.727 258 OH TYR 35 OH TYR 35 6.092 -2.727 8.445 259 H TYR 35 HN TYR 35 7.317 -1.958 2.765 260 HA TYR 35 HA TYR 35 8.779 -4.284 1.690 261 1HB TYR 35 HB2 TYR 35 9.231 -5.276 3.846 262 2HB TYR 35 HB1 TYR 35 9.973 -3.691 3.797 263 HD1 TYR 35 HD2 TYR 35 8.029 -1.763 4.437 264 HD2 TYR 35 HD1 TYR 35 8.318 -5.786 5.905 265 HE1 TYR 35 HE2 TYR 35 6.741 -1.118 6.454 266 HE2 TYR 35 HE1 TYR 35 7.035 -5.141 7.925 267 HH TYR 35 HH TYR 35 6.706 -2.667 9.179 268 H CYS 36 HN CYS 36 7.725 -6.292 2.972 269 HA CYS 36 HA CYS 36 4.823 -6.004 2.448 270 1HB CYS 36 HB2 CYS 36 5.847 -7.701 1.173 271 2HB CYS 36 HB1 CYS 36 6.751 -8.316 2.544 272 OH TYR 37 OH TYR 37 1.098 -6.218 12.042 273 H TYR 37 HN TYR 37 3.486 -5.833 4.154 274 HA TYR 37 HA TYR 37 4.378 -6.911 6.789 275 1HB TYR 37 HB2 TYR 37 3.768 -4.515 6.789 276 2HB TYR 37 HB1 TYR 37 2.178 -4.915 6.141 277 HD1 TYR 37 HD1 TYR 37 4.070 -6.895 8.651 278 HD2 TYR 37 HD2 TYR 37 0.797 -4.201 7.968 279 HE1 TYR 37 HE1 TYR 37 3.246 -7.308 10.955 280 HE2 TYR 37 HE2 TYR 37 -0.028 -4.617 10.269 281 HH TYR 37 HH TYR 37 1.582 -6.966 12.400 282 CH2 TRP 38 CH2 TRP 38 2.126 -15.363 3.278 283 H TRP 38 HN TRP 38 3.720 -9.022 6.800 284 HA TRP 38 HA TRP 38 1.438 -10.050 5.443 285 1HB TRP 38 HB2 TRP 38 3.302 -11.065 7.541 286 2HB TRP 38 HB1 TRP 38 1.780 -11.926 7.317 287 HD1 TRP 38 HD1 TRP 38 4.710 -10.633 5.143 288 HE1 TRP 38 HE1 TRP 38 5.040 -12.286 3.191 289 HE3 TRP 38 HE3 TRP 38 0.861 -13.855 6.061 290 HZ2 TRP 38 HZ2 TRP 38 3.831 -14.667 2.161 291 HZ3 TRP 38 HZ3 TRP 38 0.473 -15.805 4.586 292 HH2 TRP 38 HH2 TRP 38 1.951 -16.216 2.637 293 H GLY 39 HN GLY 39 1.221 -11.008 8.749 294 1HA GLY 39 HA2 GLY 39 -0.669 -10.892 10.151 295 2HA GLY 39 HA1 GLY 39 -0.452 -9.150 9.951 296 H LYS 40 HN LYS 40 -1.201 -11.396 7.336 297 HA LYS 40 HA LYS 40 -2.963 -11.328 5.780 298 1HB LYS 40 HB2 LYS 40 -4.830 -10.559 8.002 299 2HB LYS 40 HB1 LYS 40 -5.066 -11.725 6.701 300 1HG LYS 40 HG2 LYS 40 -3.012 -12.924 7.960 301 2HG LYS 40 HG1 LYS 40 -3.721 -12.075 9.335 302 1HD LYS 40 HD2 LYS 40 -5.894 -13.165 7.902 303 2HD LYS 40 HD1 LYS 40 -4.681 -14.442 7.982 304 1HE LYS 40 HE2 LYS 40 -5.636 -14.819 10.029 305 2HE LYS 40 HE1 LYS 40 -4.546 -13.525 10.526 306 1HZ LYS 40 HZ3 LYS 40 -6.483 -12.010 9.794 307 2HZ LYS 40 HZ2 LYS 40 -7.433 -13.408 9.971 308 3HZ LYS 40 HZ1 LYS 40 -6.569 -12.791 11.297 309 H VAL 41 HN VAL 41 -1.592 -9.087 5.555 310 HA VAL 41 HA VAL 41 -3.672 -6.955 5.483 311 HB VAL 41 HB VAL 41 -0.792 -6.701 6.382 312 1HG1 VAL 41 HG13 VAL 41 -2.377 -4.822 4.959 313 2HG1 VAL 41 HG12 VAL 41 -2.343 -4.290 6.639 314 3HG1 VAL 41 HG11 VAL 41 -0.834 -4.536 5.762 315 1HG2 VAL 41 HG21 VAL 41 -2.943 -7.391 7.860 316 2HG2 VAL 41 HG23 VAL 41 -1.643 -6.383 8.498 317 3HG2 VAL 41 HG22 VAL 41 -3.124 -5.636 7.900 318 H SER 42 HN SER 42 -0.431 -6.140 4.497 319 HA SER 42 HA SER 42 -0.651 -6.993 1.731 320 1HB SER 42 HB2 SER 42 -1.689 -4.266 2.494 321 2HB SER 42 HB1 SER 42 -1.019 -4.557 0.894 322 HG SER 42 HG SER 42 -2.533 -6.467 0.967 323 H CYS 43 HN CYS 43 0.677 -4.986 0.437 324 HA CYS 43 HA CYS 43 3.399 -5.219 1.361 325 1HB CYS 43 HB2 CYS 43 1.966 -4.133 -0.945 326 2HB CYS 43 HB1 CYS 43 3.271 -3.066 -0.441 327 OH TYR 44 OH TYR 44 2.998 2.654 7.501 328 H TYR 44 HN TYR 44 4.563 -2.780 1.193 329 HA TYR 44 HA TYR 44 3.013 -0.786 2.680 330 1HB TYR 44 HB2 TYR 44 3.962 -2.528 4.364 331 2HB TYR 44 HB1 TYR 44 5.515 -1.755 4.047 332 HD1 TYR 44 HD2 TYR 44 1.966 -0.905 4.855 333 HD2 TYR 44 HD1 TYR 44 6.097 0.175 5.264 334 HE1 TYR 44 HE2 TYR 44 1.324 0.950 6.362 335 HE2 TYR 44 HE1 TYR 44 5.462 2.039 6.770 336 HH TYR 44 HH TYR 44 2.688 3.381 6.956 337 H CYS 45 HN CYS 45 3.838 1.267 2.372 338 HA CYS 45 HA CYS 45 6.483 1.423 0.979 339 1HB CYS 45 HB2 CYS 45 4.074 3.228 0.613 340 2HB CYS 45 HB1 CYS 45 5.631 3.437 -0.173 341 OH TYR 46 OH TYR 46 7.631 0.376 7.602 342 H TYR 46 HN TYR 46 7.407 3.652 1.175 343 HA TYR 46 HA TYR 46 6.793 5.069 3.712 344 1HB TYR 46 HB2 TYR 46 9.463 3.899 2.937 345 2HB TYR 46 HB1 TYR 46 9.302 5.157 4.148 346 HD1 TYR 46 HD2 TYR 46 8.062 4.702 6.258 347 HD2 TYR 46 HD1 TYR 46 8.874 1.619 3.399 348 HE1 TYR 46 HE2 TYR 46 7.542 2.987 7.970 349 HE2 TYR 46 HE1 TYR 46 8.362 -0.099 5.107 350 HH TYR 46 HH TYR 46 6.677 0.328 7.695 351 H GLY 47 HN GLY 47 6.149 6.867 2.449 352 1HA GLY 47 HA2 GLY 47 7.386 9.012 1.753 353 2HA GLY 47 HA1 GLY 47 8.224 7.974 0.601 354 H LEU 48 HN LEU 48 4.947 7.114 1.130 355 HA LEU 48 HA LEU 48 4.208 7.543 -1.587 356 1HB LEU 48 HB2 LEU 48 2.564 7.167 0.928 357 2HB LEU 48 HB1 LEU 48 1.840 7.281 -0.677 358 HG LEU 48 HG LEU 48 3.939 5.254 0.150 359 1HD1 LEU 48 HD13 LEU 48 1.353 5.199 0.930 360 2HD1 LEU 48 HD12 LEU 48 1.190 4.460 -0.663 361 3HD1 LEU 48 HD11 LEU 48 2.260 3.738 0.538 362 1HD2 LEU 48 HD23 LEU 48 3.083 6.211 -2.404 363 2HD2 LEU 48 HD22 LEU 48 4.199 4.890 -2.057 364 3HD2 LEU 48 HD21 LEU 48 2.472 4.568 -2.210 365 HA PRO 49 HA PRO 49 3.185 11.776 -1.849 366 1HB PRO 49 HB2 PRO 49 0.596 11.399 -3.039 367 2HB PRO 49 HB1 PRO 49 2.115 11.799 -3.851 368 1HG PRO 49 HG2 PRO 49 0.703 9.281 -3.901 369 2HG PRO 49 HG1 PRO 49 2.213 9.695 -4.724 370 1HD PRO 49 HD2 PRO 49 1.871 7.983 -2.432 371 2HD PRO 49 HD1 PRO 49 3.388 8.426 -3.243 372 H ASP 50 HN ASP 50 1.779 13.374 -0.861 373 HA ASP 50 HA ASP 50 0.698 12.725 1.631 374 1HB ASP 50 HB2 ASP 50 0.813 15.040 -0.100 375 2HB ASP 50 HB1 ASP 50 -0.710 14.961 0.776 376 H ASN 51 HN ASN 51 -1.145 13.582 -1.249 377 HA ASN 51 HA ASN 51 -3.618 12.641 -0.181 378 1HB ASN 51 HB2 ASN 51 -4.465 13.150 -2.424 379 2HB ASN 51 HB1 ASN 51 -3.474 14.467 -1.820 380 1HD2 ASN 51 HD22 ASN 51 -2.277 13.817 -5.262 381 2HD2 ASN 51 HD21 ASN 51 -3.679 14.439 -4.535 382 H SER 52 HN SER 52 -1.029 10.863 -1.132 383 HA SER 52 HA SER 52 -1.747 8.976 -2.996 384 1HB SER 52 HB2 SER 52 0.314 8.980 -1.467 385 2HB SER 52 HB1 SER 52 -0.686 8.114 -0.306 386 HG SER 52 HG SER 52 -1.138 6.787 -2.377 387 HA PRO 53 HA PRO 53 -5.782 7.862 -1.316 388 1HB PRO 53 HB2 PRO 53 -6.063 6.068 -3.549 389 2HB PRO 53 HB1 PRO 53 -6.874 7.617 -3.285 390 1HG PRO 53 HG2 PRO 53 -4.764 7.026 -5.160 391 2HG PRO 53 HG1 PRO 53 -5.587 8.570 -4.905 392 1HD PRO 53 HD2 PRO 53 -2.899 7.871 -4.161 393 2HD PRO 53 HD1 PRO 53 -3.745 9.404 -3.863 394 H THR 54 HN THR 54 -4.802 6.656 0.452 395 HA THR 54 HA THR 54 -4.203 3.804 -0.188 396 HB THR 54 HB THR 54 -3.110 3.773 2.056 397 HG1 THR 54 HG1 THR 54 -2.907 5.693 3.155 398 1HG2 THR 54 HG21 THR 54 -2.203 4.895 -0.322 399 2HG2 THR 54 HG23 THR 54 -1.763 6.088 0.900 400 3HG2 THR 54 HG22 THR 54 -1.201 4.423 1.049 401 H LYS 55 HN LYS 55 -4.956 2.252 1.581 402 HA LYS 55 HA LYS 55 -7.714 2.208 1.819 403 1HB LYS 55 HB2 LYS 55 -5.581 0.684 2.846 404 2HB LYS 55 HB1 LYS 55 -6.574 1.120 4.238 405 1HG LYS 55 HG2 LYS 55 -8.354 0.435 2.133 406 2HG LYS 55 HG1 LYS 55 -7.125 -0.826 2.202 407 1HD LYS 55 HD2 LYS 55 -7.596 -0.511 4.843 408 2HD LYS 55 HD1 LYS 55 -9.184 -0.087 4.205 409 1HE LYS 55 HE2 LYS 55 -7.656 -2.666 3.800 410 2HE LYS 55 HE1 LYS 55 -9.227 -2.455 4.569 411 1HZ LYS 55 HZ1 LYS 55 -9.310 -1.383 1.964 412 2HZ LYS 55 HZ3 LYS 55 -8.696 -2.963 1.887 413 3HZ LYS 55 HZ2 LYS 55 -10.204 -2.672 2.613 414 H THR 56 HN THR 56 -9.221 3.176 3.108 415 HA THR 56 HA THR 56 -8.228 5.150 5.102 416 HB THR 56 HB THR 56 -10.849 4.920 3.614 417 HG1 THR 56 HG1 THR 56 -9.678 6.073 2.310 418 1HG2 THR 56 HG21 THR 56 -10.433 5.974 6.191 419 2HG2 THR 56 HG23 THR 56 -10.496 7.367 5.113 420 3HG2 THR 56 HG22 THR 56 -11.838 6.224 5.156 421 H SER 57 HN SER 57 -11.369 3.627 4.918 422 HA SER 57 HA SER 57 -10.871 2.064 7.334 423 1HB SER 57 HB2 SER 57 -13.019 3.093 8.343 424 2HB SER 57 HB1 SER 57 -11.538 4.043 8.435 425 HG SER 57 HG SER 57 -13.816 4.722 7.318 426 H GLY 58 HN GLY 58 -11.306 0.916 4.953 427 1HA GLY 58 HA2 GLY 58 -14.025 -0.214 5.279 428 2HA GLY 58 HA1 GLY 58 -13.607 0.440 3.694 429 H LYS 59 HN LYS 59 -14.212 -2.335 4.179 430 HA LYS 59 HA LYS 59 -11.586 -3.702 4.109 431 1HB LYS 59 HB2 LYS 59 -14.119 -4.432 5.032 432 2HB LYS 59 HB1 LYS 59 -13.915 -5.371 3.553 433 1HG LYS 59 HG2 LYS 59 -11.449 -5.386 5.046 434 2HG LYS 59 HG1 LYS 59 -12.773 -5.897 6.092 435 1HD LYS 59 HD2 LYS 59 -12.886 -7.890 5.058 436 2HD LYS 59 HD1 LYS 59 -13.074 -7.104 3.490 437 1HE LYS 59 HE2 LYS 59 -10.908 -7.451 2.942 438 2HE LYS 59 HE1 LYS 59 -10.341 -6.923 4.526 439 1HZ LYS 59 HZ3 LYS 59 -11.706 -9.401 4.718 440 2HZ LYS 59 HZ2 LYS 59 -10.451 -9.509 3.578 441 3HZ LYS 59 HZ1 LYS 59 -10.117 -9.017 5.169 442 H CYS 60 HN CYS 60 -12.683 -1.875 1.926 443 HA CYS 60 HA CYS 60 -12.373 -1.838 -0.409 444 1HB CYS 60 HB2 CYS 60 -10.600 -3.630 0.164 445 2HB CYS 60 HB1 CYS 60 -11.817 -4.807 -0.319 446 H ASN 61 HN ASN 61 -14.457 -1.470 -1.087 447 HA ASN 61 HA ASN 61 -15.963 -3.645 -2.247 448 1HB ASN 61 HB2 ASN 61 -16.419 -3.727 0.331 449 2HB ASN 61 HB1 ASN 61 -17.426 -2.312 0.020 450 1HD2 ASN 61 HD22 ASN 61 -19.314 -5.622 -0.481 451 2HD2 ASN 61 HD21 ASN 61 -18.245 -5.149 0.750 452 HA PRO 62 HA PRO 62 -16.572 0.410 -4.232 453 1HB PRO 62 HB2 PRO 62 -17.449 -1.112 -6.528 454 2HB PRO 62 HB1 PRO 62 -15.976 -0.149 -6.349 455 1HG PRO 62 HG2 PRO 62 -16.182 -3.011 -6.407 456 2HG PRO 62 HG1 PRO 62 -14.725 -2.045 -6.143 457 1HD PRO 62 HD2 PRO 62 -16.186 -3.616 -4.208 458 2HD PRO 62 HD1 PRO 62 -14.702 -2.677 -3.958 459 H ALA 63 HN ALA 63 -18.683 0.427 -6.167 460 HA ALA 63 HA ALA 63 -21.030 0.455 -6.339 461 1HB ALA 63 HB2 ALA 63 -20.508 -1.926 -5.009 462 2HB ALA 63 HB1 ALA 63 -21.623 -1.093 -3.925 463 3HB ALA 63 HB3 ALA 63 -22.087 -1.404 -5.598 Start of MODEL 6 Raw file had 463 H/Q atoms Start of MODEL 6 1 1H LYS 1 HT1 LYS 1 3.876 14.118 3.964 2 2H LYS 1 HT3 LYS 1 5.572 14.117 4.020 3 3H LYS 1 HT2 LYS 1 4.772 14.468 2.563 4 HA LYS 1 HA LYS 1 4.063 12.273 2.262 5 1HB LYS 1 HB2 LYS 1 6.861 12.267 3.441 6 2HB LYS 1 HB1 LYS 1 6.185 10.981 2.442 7 1HG LYS 1 HG2 LYS 1 6.370 12.194 0.516 8 2HG LYS 1 HG1 LYS 1 5.981 13.716 1.318 9 1HD LYS 1 HD2 LYS 1 8.555 12.466 2.104 10 2HD LYS 1 HD1 LYS 1 8.476 13.095 0.458 11 1HE LYS 1 HE2 LYS 1 7.284 14.919 2.408 12 2HE LYS 1 HE1 LYS 1 8.986 14.594 2.739 13 1HZ LYS 1 HZ2 LYS 1 8.898 14.921 0.042 14 2HZ LYS 1 HZ1 LYS 1 7.797 16.087 0.604 15 3HZ LYS 1 HZ3 LYS 1 9.397 16.092 1.168 16 H LYS 2 HN LYS 2 4.145 9.965 3.202 17 HA LYS 2 HA LYS 2 4.309 9.669 6.085 18 1HB LYS 2 HB2 LYS 2 1.898 9.184 6.451 19 2HB LYS 2 HB1 LYS 2 2.170 10.864 5.988 20 1HG LYS 2 HG2 LYS 2 0.449 10.338 4.535 21 2HG LYS 2 HG1 LYS 2 1.827 9.869 3.540 22 1HD LYS 2 HD2 LYS 2 1.470 7.601 3.865 23 2HD LYS 2 HD1 LYS 2 0.672 7.844 5.419 24 1HE LYS 2 HE2 LYS 2 -1.139 7.307 4.051 25 2HE LYS 2 HE1 LYS 2 -1.150 9.070 3.972 26 1HZ LYS 2 HZ3 LYS 2 0.500 8.566 1.992 27 2HZ LYS 2 HZ2 LYS 2 -0.388 7.118 1.940 28 3HZ LYS 2 HZ1 LYS 2 -1.180 8.611 1.770 29 H ASP 3 HN ASP 3 3.760 7.429 6.747 30 HA ASP 3 HA ASP 3 4.266 5.509 4.538 31 1HB ASP 3 HB2 ASP 3 4.026 4.642 7.373 32 2HB ASP 3 HB1 ASP 3 5.208 4.160 6.157 33 H GLY 4 HN GLY 4 2.827 3.555 4.403 34 1HA GLY 4 HA2 GLY 4 0.606 2.962 5.936 35 2HA GLY 4 HA1 GLY 4 0.038 4.283 4.921 36 OH TYR 5 OH TYR 5 -0.311 -2.514 7.761 37 H TYR 5 HN TYR 5 -1.466 2.479 4.249 38 HA TYR 5 HA TYR 5 -0.247 0.605 2.282 39 1HB TYR 5 HB2 TYR 5 -3.083 0.721 3.349 40 2HB TYR 5 HB1 TYR 5 -2.403 -0.553 2.341 41 HD1 TYR 5 HD2 TYR 5 -0.792 -2.156 3.246 42 HD2 TYR 5 HD1 TYR 5 -2.459 0.940 5.704 43 HE1 TYR 5 HE2 TYR 5 0.016 -3.336 5.268 44 HE2 TYR 5 HE1 TYR 5 -1.649 -0.236 7.731 45 HH TYR 5 HH TYR 5 -0.889 -3.264 7.922 46 HA PRO 6 HA PRO 6 -1.647 3.789 -0.630 47 1HB PRO 6 HB2 PRO 6 -0.415 2.264 -2.724 48 2HB PRO 6 HB1 PRO 6 0.172 3.762 -1.990 49 1HG PRO 6 HG2 PRO 6 1.233 1.094 -1.658 50 2HG PRO 6 HG1 PRO 6 1.840 2.602 -0.962 51 1HD PRO 6 HD2 PRO 6 0.455 0.470 0.393 52 2HD PRO 6 HD1 PRO 6 1.042 1.997 1.085 53 H VAL 7 HN VAL 7 -3.846 3.461 -1.000 54 HA VAL 7 HA VAL 7 -4.661 0.881 -2.272 55 HB VAL 7 HB VAL 7 -6.967 1.514 -1.618 56 1HG1 VAL 7 HG11 VAL 7 -4.844 1.533 0.536 57 2HG1 VAL 7 HG13 VAL 7 -6.567 1.381 0.879 58 3HG1 VAL 7 HG12 VAL 7 -5.744 0.143 -0.070 59 1HG2 VAL 7 HG22 VAL 7 -5.556 3.906 -0.400 60 2HG2 VAL 7 HG21 VAL 7 -6.767 3.938 -1.680 61 3HG2 VAL 7 HG23 VAL 7 -7.222 3.452 -0.048 62 H ASP 8 HN ASP 8 -5.554 0.870 -4.316 63 HA ASP 8 HA ASP 8 -5.058 3.095 -6.045 64 1HB ASP 8 HB2 ASP 8 -6.598 1.794 -7.646 65 2HB ASP 8 HB1 ASP 8 -5.163 0.955 -7.068 66 H SER 9 HN SER 9 -7.471 3.372 -7.550 67 HA SER 9 HA SER 9 -8.829 5.344 -5.892 68 1HB SER 9 HB2 SER 9 -10.292 4.829 -8.296 69 2HB SER 9 HB1 SER 9 -9.291 6.223 -7.903 70 HG SER 9 HG SER 9 -8.272 5.357 -9.599 71 H GLY 10 HN GLY 10 -9.094 2.333 -5.281 72 1HA GLY 10 HA2 GLY 10 -12.056 2.392 -5.018 73 2HA GLY 10 HA1 GLY 10 -11.243 0.920 -5.557 74 H ASN 11 HN ASN 11 -9.274 2.612 -3.409 75 HA ASN 11 HA ASN 11 -8.742 2.285 -1.151 76 1HB ASN 11 HB2 ASN 11 -11.519 2.315 -1.173 77 2HB ASN 11 HB1 ASN 11 -11.142 0.773 -0.407 78 1HD2 ASN 11 HD22 ASN 11 -10.310 2.307 2.629 79 2HD2 ASN 11 HD21 ASN 11 -10.848 0.927 1.799 80 H CYS 12 HN CYS 12 -8.154 0.440 -3.236 81 HA CYS 12 HA CYS 12 -8.283 -2.194 -1.865 82 1HB CYS 12 HB2 CYS 12 -7.786 -1.330 -4.708 83 2HB CYS 12 HB1 CYS 12 -7.328 -2.935 -4.159 84 H LYS 13 HN LYS 13 -6.611 -2.101 -0.400 85 HA LYS 13 HA LYS 13 -4.104 -0.814 -0.785 86 1HB LYS 13 HB2 LYS 13 -3.383 -2.746 0.938 87 2HB LYS 13 HB1 LYS 13 -4.336 -1.353 1.438 88 1HG LYS 13 HG2 LYS 13 -6.256 -2.581 1.681 89 2HG LYS 13 HG1 LYS 13 -5.852 -3.671 0.355 90 1HD LYS 13 HD2 LYS 13 -3.893 -4.067 2.371 91 2HD LYS 13 HD1 LYS 13 -5.463 -4.064 3.174 92 1HE LYS 13 HE2 LYS 13 -5.260 -5.582 0.620 93 2HE LYS 13 HE1 LYS 13 -4.454 -6.273 2.028 94 1HZ LYS 13 HZ2 LYS 13 -6.539 -6.052 3.258 95 2HZ LYS 13 HZ1 LYS 13 -7.306 -5.461 1.863 96 3HZ LYS 13 HZ3 LYS 13 -6.718 -7.052 1.896 97 OH TYR 14 OH TYR 14 -2.605 1.911 -6.854 98 H TYR 14 HN TYR 14 -2.496 -1.317 -2.154 99 HA TYR 14 HA TYR 14 -2.470 -3.495 -3.921 100 1HB TYR 14 HB2 TYR 14 -0.117 -1.955 -2.783 101 2HB TYR 14 HB1 TYR 14 -0.045 -3.000 -4.204 102 HD1 TYR 14 HD2 TYR 14 -1.975 -2.521 -5.999 103 HD2 TYR 14 HD1 TYR 14 -0.499 0.323 -3.137 104 HE1 TYR 14 HE2 TYR 14 -2.816 -0.664 -7.410 105 HE2 TYR 14 HE1 TYR 14 -1.344 2.179 -4.550 106 HH TYR 14 HH TYR 14 -2.548 2.722 -6.342 107 H GLU 15 HN GLU 15 -2.819 -5.495 -3.023 108 HA GLU 15 HA GLU 15 -1.565 -6.441 -0.606 109 1HB GLU 15 HB2 GLU 15 -3.243 -7.554 -2.782 110 2HB GLU 15 HB1 GLU 15 -2.304 -8.705 -1.831 111 1HG GLU 15 HG2 GLU 15 -3.283 -7.836 0.241 112 2HG GLU 15 HG1 GLU 15 -4.169 -6.615 -0.671 113 H CYS 16 HN CYS 16 0.160 -7.923 -0.377 114 HA CYS 16 HA CYS 16 1.562 -8.970 -2.693 115 1HB CYS 16 HB2 CYS 16 3.045 -7.330 -3.026 116 2HB CYS 16 HB1 CYS 16 2.269 -6.376 -1.771 117 H LEU 17 HN LEU 17 3.673 -10.088 -1.893 118 HA LEU 17 HA LEU 17 3.291 -11.045 0.912 119 1HB LEU 17 HB2 LEU 17 4.203 -12.985 -1.169 120 2HB LEU 17 HB1 LEU 17 3.277 -13.271 0.304 121 HG LEU 17 HG LEU 17 1.533 -11.700 -1.061 122 1HD1 LEU 17 HD11 LEU 17 3.361 -12.995 -3.037 123 2HD1 LEU 17 HD13 LEU 17 1.636 -12.983 -3.404 124 3HD1 LEU 17 HD12 LEU 17 2.493 -11.463 -3.147 125 1HD2 LEU 17 HD23 LEU 17 1.215 -13.983 0.003 126 2HD2 LEU 17 HD22 LEU 17 0.296 -13.726 -1.481 127 3HD2 LEU 17 HD21 LEU 17 1.775 -14.687 -1.513 128 H LYS 18 HN LYS 18 5.423 -9.856 -1.467 129 HA LYS 18 HA LYS 18 7.771 -10.803 0.125 130 1HB LYS 18 HB2 LYS 18 7.278 -10.615 -2.760 131 2HB LYS 18 HB1 LYS 18 8.786 -9.846 -2.264 132 1HG LYS 18 HG2 LYS 18 9.691 -11.914 -2.260 133 2HG LYS 18 HG1 LYS 18 8.743 -12.214 -0.802 134 1HD LYS 18 HD2 LYS 18 7.543 -13.760 -1.909 135 2HD LYS 18 HD1 LYS 18 6.998 -12.516 -3.034 136 1HE LYS 18 HE2 LYS 18 9.333 -12.857 -4.154 137 2HE LYS 18 HE1 LYS 18 9.336 -14.392 -3.285 138 1HZ LYS 18 HZ1 LYS 18 6.830 -13.970 -4.521 139 2HZ LYS 18 HZ3 LYS 18 8.064 -13.817 -5.673 140 3HZ LYS 18 HZ2 LYS 18 7.935 -15.239 -4.753 141 H ASP 19 HN ASP 19 9.616 -9.164 0.096 142 HA ASP 19 HA ASP 19 8.501 -6.510 0.740 143 1HB ASP 19 HB2 ASP 19 10.105 -7.371 2.313 144 2HB ASP 19 HB1 ASP 19 11.261 -7.722 1.028 145 H ASP 20 HN ASP 20 10.105 -8.042 -1.916 146 HA ASP 20 HA ASP 20 11.309 -5.618 -2.984 147 1HB ASP 20 HB2 ASP 20 11.960 -6.998 -4.785 148 2HB ASP 20 HB1 ASP 20 11.998 -8.075 -3.403 149 OH TYR 21 OH TYR 21 1.392 -4.725 -7.068 150 H TYR 21 HN TYR 21 8.231 -7.337 -3.366 151 HA TYR 21 HA TYR 21 7.400 -5.785 -5.666 152 1HB TYR 21 HB2 TYR 21 6.288 -7.909 -5.167 153 2HB TYR 21 HB1 TYR 21 5.756 -7.290 -3.603 154 HD1 TYR 21 HD2 TYR 21 5.287 -7.080 -7.257 155 HD2 TYR 21 HD1 TYR 21 3.987 -5.627 -3.433 156 HE1 TYR 21 HE2 TYR 21 3.283 -6.067 -8.315 157 HE2 TYR 21 HE1 TYR 21 1.986 -4.620 -4.494 158 HH TYR 21 HH TYR 21 1.025 -5.372 -7.675 159 H CYS 22 HN CYS 22 7.333 -5.363 -2.195 160 HA CYS 22 HA CYS 22 5.503 -3.101 -2.231 161 1HB CYS 22 HB2 CYS 22 7.450 -4.150 -0.167 162 2HB CYS 22 HB1 CYS 22 6.468 -2.713 0.099 163 H ASN 23 HN ASN 23 9.037 -3.394 -1.788 164 HA ASN 23 HA ASN 23 9.637 -0.631 -1.732 165 1HB ASN 23 HB2 ASN 23 11.224 -2.616 -1.414 166 2HB ASN 23 HB1 ASN 23 11.279 -2.761 -3.160 167 1HD2 ASN 23 HD22 ASN 23 13.613 -0.169 -3.503 168 2HD2 ASN 23 HD21 ASN 23 12.822 -1.505 -4.186 169 H ASP 24 HN ASP 24 9.645 -2.840 -4.498 170 HA ASP 24 HA ASP 24 10.063 -0.905 -6.538 171 1HB ASP 24 HB2 ASP 24 10.100 -3.406 -6.842 172 2HB ASP 24 HB1 ASP 24 8.344 -3.395 -6.769 173 H LEU 25 HN LEU 25 6.927 -2.490 -6.002 174 HA LEU 25 HA LEU 25 5.293 -0.683 -7.318 175 1HB LEU 25 HB2 LEU 25 4.409 -2.748 -6.358 176 2HB LEU 25 HB1 LEU 25 4.728 -2.159 -4.728 177 HG LEU 25 HG LEU 25 3.202 -0.120 -5.748 178 1HD1 LEU 25 HD13 LEU 25 2.796 -2.416 -7.433 179 2HD1 LEU 25 HD12 LEU 25 1.316 -2.060 -6.542 180 3HD1 LEU 25 HD11 LEU 25 2.061 -0.817 -7.548 181 1HD2 LEU 25 HD21 LEU 25 2.721 -2.509 -4.052 182 2HD2 LEU 25 HD23 LEU 25 2.487 -0.800 -3.680 183 3HD2 LEU 25 HD22 LEU 25 1.287 -1.667 -4.637 184 H CYS 26 HN CYS 26 6.944 -0.234 -4.290 185 HA CYS 26 HA CYS 26 5.336 1.923 -3.354 186 1HB CYS 26 HB2 CYS 26 7.924 0.644 -2.623 187 2HB CYS 26 HB1 CYS 26 7.638 2.251 -2.006 188 H LEU 27 HN LEU 27 8.450 1.747 -5.066 189 HA LEU 27 HA LEU 27 8.992 4.513 -5.151 190 1HB LEU 27 HB2 LEU 27 9.920 2.096 -6.509 191 2HB LEU 27 HB1 LEU 27 9.943 3.509 -7.562 192 HG LEU 27 HG LEU 27 11.207 3.340 -4.810 193 1HD1 LEU 27 HD12 LEU 27 12.163 2.820 -7.555 194 2HD1 LEU 27 HD11 LEU 27 13.196 3.896 -6.614 195 3HD1 LEU 27 HD13 LEU 27 12.824 2.280 -6.012 196 1HD2 LEU 27 HD23 LEU 27 10.285 5.579 -6.232 197 2HD2 LEU 27 HD22 LEU 27 11.408 5.587 -4.873 198 3HD2 LEU 27 HD21 LEU 27 12.024 5.541 -6.524 199 H GLU 28 HN GLU 28 7.107 2.421 -7.314 200 HA GLU 28 HA GLU 28 6.485 4.428 -9.226 201 1HB GLU 28 HB2 GLU 28 6.179 1.868 -9.408 202 2HB GLU 28 HB1 GLU 28 4.655 2.135 -8.564 203 1HG GLU 28 HG2 GLU 28 3.667 2.924 -10.430 204 2HG GLU 28 HG1 GLU 28 5.003 4.034 -10.741 205 NH1 ARG 29 NH2 ARG 29 -0.840 3.425 -8.260 206 NH2 ARG 29 NH1 ARG 29 0.737 3.409 -9.880 207 H ARG 29 HN ARG 29 4.907 3.384 -6.281 208 HA ARG 29 HA ARG 29 2.665 5.185 -6.593 209 1HB ARG 29 HB2 ARG 29 3.629 3.680 -4.147 210 2HB ARG 29 HB1 ARG 29 2.075 4.500 -4.294 211 1HG ARG 29 HG2 ARG 29 2.972 2.293 -6.165 212 2HG ARG 29 HG1 ARG 29 1.996 2.003 -4.726 213 1HD ARG 29 HD2 ARG 29 0.242 2.340 -6.140 214 2HD ARG 29 HD1 ARG 29 0.614 4.042 -5.903 215 HE ARG 29 HE ARG 29 2.285 3.154 -7.988 216 1HH1 ARG 29 HH21 ARG 29 -1.088 3.383 -7.293 217 2HH1 ARG 29 HH22 ARG 29 -1.553 3.528 -8.954 218 1HH2 ARG 29 HH11 ARG 29 1.698 3.353 -10.153 219 2HH2 ARG 29 HH12 ARG 29 0.026 3.517 -10.574 220 H LYS 30 HN LYS 30 5.825 5.774 -6.014 221 HA LYS 30 HA LYS 30 6.866 7.803 -5.404 222 1HB LYS 30 HB2 LYS 30 4.483 8.785 -5.811 223 2HB LYS 30 HB1 LYS 30 4.339 8.722 -4.054 224 1HG LYS 30 HG2 LYS 30 6.712 10.005 -5.417 225 2HG LYS 30 HG1 LYS 30 5.246 10.910 -5.048 226 1HD LYS 30 HD2 LYS 30 5.498 10.128 -2.643 227 2HD LYS 30 HD1 LYS 30 7.098 9.530 -3.087 228 1HE LYS 30 HE2 LYS 30 6.337 12.354 -3.767 229 2HE LYS 30 HE1 LYS 30 6.846 11.966 -2.124 230 1HZ LYS 30 HZ2 LYS 30 8.389 11.383 -4.596 231 2HZ LYS 30 HZ1 LYS 30 8.715 12.641 -3.501 232 3HZ LYS 30 HZ3 LYS 30 8.883 11.026 -3.010 233 H ALA 31 HN ALA 31 7.660 5.887 -3.926 234 HA ALA 31 HA ALA 31 7.351 6.847 -1.129 235 1HB ALA 31 HB1 ALA 31 6.914 4.063 -2.173 236 2HB ALA 31 HB3 ALA 31 7.478 4.317 -0.521 237 3HB ALA 31 HB2 ALA 31 5.931 4.989 -1.038 238 H ASP 32 HN ASP 32 9.213 6.570 0.119 239 HA ASP 32 HA ASP 32 11.698 6.360 -1.313 240 1HB ASP 32 HB2 ASP 32 11.034 7.684 0.889 241 2HB ASP 32 HB1 ASP 32 11.540 6.190 1.665 242 H LYS 33 HN LYS 33 10.114 4.460 1.246 243 HA LYS 33 HA LYS 33 11.317 2.000 0.094 244 1HB LYS 33 HB2 LYS 33 11.851 1.313 2.560 245 2HB LYS 33 HB1 LYS 33 12.984 2.361 1.708 246 1HG LYS 33 HG2 LYS 33 12.517 4.158 3.029 247 2HG LYS 33 HG1 LYS 33 10.800 3.766 3.120 248 1HD LYS 33 HD2 LYS 33 11.163 2.981 5.200 249 2HD LYS 33 HD1 LYS 33 12.100 1.675 4.473 250 1HE LYS 33 HE2 LYS 33 13.844 3.856 4.453 251 2HE LYS 33 HE1 LYS 33 13.026 3.972 6.011 252 1HZ LYS 33 HZ1 LYS 33 13.504 1.422 6.053 253 2HZ LYS 33 HZ3 LYS 33 14.737 1.832 4.963 254 3HZ LYS 33 HZ2 LYS 33 14.705 2.533 6.511 255 H GLY 34 HN GLY 34 10.198 0.031 0.884 256 1HA GLY 34 HA2 GLY 34 7.889 0.281 2.613 257 2HA GLY 34 HA1 GLY 34 7.423 0.229 0.922 258 OH TYR 35 OH TYR 35 5.568 -2.864 8.598 259 H TYR 35 HN TYR 35 7.419 -1.730 3.408 260 HA TYR 35 HA TYR 35 8.451 -4.069 1.850 261 1HB TYR 35 HB2 TYR 35 8.753 -5.257 3.940 262 2HB TYR 35 HB1 TYR 35 9.589 -3.719 4.047 263 HD1 TYR 35 HD1 TYR 35 8.343 -1.740 5.164 264 HD2 TYR 35 HD2 TYR 35 7.087 -5.836 5.501 265 HE1 TYR 35 HE1 TYR 35 7.017 -1.176 7.175 266 HE2 TYR 35 HE2 TYR 35 5.760 -5.264 7.512 267 HH TYR 35 HH TYR 35 6.073 -3.136 9.370 268 H CYS 36 HN CYS 36 7.212 -6.094 3.089 269 HA CYS 36 HA CYS 36 4.306 -5.469 2.694 270 1HB CYS 36 HB2 CYS 36 5.886 -7.239 1.274 271 2HB CYS 36 HB1 CYS 36 5.079 -8.289 2.439 272 OH TYR 37 OH TYR 37 1.338 -7.447 12.342 273 H TYR 37 HN TYR 37 3.291 -5.464 4.633 274 HA TYR 37 HA TYR 37 4.419 -6.891 6.926 275 1HB TYR 37 HB2 TYR 37 3.380 -4.705 7.257 276 2HB TYR 37 HB1 TYR 37 1.854 -5.301 6.610 277 HD1 TYR 37 HD2 TYR 37 4.253 -7.049 8.864 278 HD2 TYR 37 HD1 TYR 37 0.397 -5.197 8.492 279 HE1 TYR 37 HE2 TYR 37 3.644 -7.867 11.124 280 HE2 TYR 37 HE1 TYR 37 -0.213 -6.013 10.753 281 HH TYR 37 HH TYR 37 0.730 -6.815 12.732 282 CH2 TRP 38 CH2 TRP 38 2.012 -15.891 4.779 283 H TRP 38 HN TRP 38 3.695 -8.813 7.776 284 HA TRP 38 HA TRP 38 1.851 -10.390 6.110 285 1HB TRP 38 HB2 TRP 38 3.990 -10.939 7.998 286 2HB TRP 38 HB1 TRP 38 2.566 -11.923 8.336 287 HD1 TRP 38 HD1 TRP 38 5.001 -11.086 5.480 288 HE1 TRP 38 HE1 TRP 38 4.962 -13.022 3.780 289 HE3 TRP 38 HE3 TRP 38 1.257 -13.933 7.468 290 HZ2 TRP 38 HZ2 TRP 38 3.535 -15.451 3.320 291 HZ3 TRP 38 HZ3 TRP 38 0.578 -16.053 6.378 292 HH2 TRP 38 HH2 TRP 38 1.713 -16.816 4.309 293 H GLY 39 HN GLY 39 2.035 -9.487 9.593 294 1HA GLY 39 HA2 GLY 39 -0.285 -10.561 10.609 295 2HA GLY 39 HA1 GLY 39 0.210 -8.914 11.018 296 H LYS 40 HN LYS 40 0.016 -8.009 8.277 297 HA LYS 40 HA LYS 40 -2.910 -8.151 7.751 298 1HB LYS 40 HB2 LYS 40 -1.603 -5.905 8.800 299 2HB LYS 40 HB1 LYS 40 -1.699 -5.572 7.071 300 1HG LYS 40 HG2 LYS 40 -4.196 -6.698 7.962 301 2HG LYS 40 HG1 LYS 40 -3.773 -5.328 8.988 302 1HD LYS 40 HD2 LYS 40 -3.349 -3.980 6.915 303 2HD LYS 40 HD1 LYS 40 -3.960 -5.333 5.963 304 1HE LYS 40 HE2 LYS 40 -5.833 -3.898 6.251 305 2HE LYS 40 HE1 LYS 40 -6.071 -5.195 7.422 306 1HZ LYS 40 HZ3 LYS 40 -4.534 -2.898 8.328 307 2HZ LYS 40 HZ2 LYS 40 -6.190 -2.629 8.058 308 3HZ LYS 40 HZ1 LYS 40 -5.689 -3.827 9.154 309 H VAL 41 HN VAL 41 -1.947 -9.781 6.236 310 HA VAL 41 HA VAL 41 -0.048 -9.542 4.319 311 HB VAL 41 HB VAL 41 -1.553 -10.813 2.754 312 1HG1 VAL 41 HG11 VAL 41 -0.838 -11.496 5.521 313 2HG1 VAL 41 HG13 VAL 41 -2.162 -12.470 4.883 314 3HG1 VAL 41 HG12 VAL 41 -0.613 -12.428 4.041 315 1HG2 VAL 41 HG22 VAL 41 -3.538 -9.977 4.857 316 2HG2 VAL 41 HG21 VAL 41 -3.712 -9.965 3.101 317 3HG2 VAL 41 HG23 VAL 41 -3.768 -11.491 3.982 318 H SER 42 HN SER 42 0.358 -7.428 3.710 319 HA SER 42 HA SER 42 -0.959 -6.510 1.313 320 1HB SER 42 HB2 SER 42 -1.235 -4.519 3.537 321 2HB SER 42 HB1 SER 42 -2.165 -4.666 2.048 322 HG SER 42 HG SER 42 -3.498 -5.450 3.576 323 H CYS 43 HN CYS 43 0.224 -4.624 0.434 324 HA CYS 43 HA CYS 43 3.004 -4.655 1.238 325 1HB CYS 43 HB2 CYS 43 1.446 -3.565 -0.965 326 2HB CYS 43 HB1 CYS 43 2.648 -2.413 -0.393 327 OH TYR 44 OH TYR 44 2.330 2.457 8.242 328 H TYR 44 HN TYR 44 4.136 -2.451 1.585 329 HA TYR 44 HA TYR 44 2.502 -0.480 3.042 330 1HB TYR 44 HB2 TYR 44 3.202 -2.406 4.634 331 2HB TYR 44 HB1 TYR 44 4.822 -1.727 4.512 332 HD1 TYR 44 HD2 TYR 44 1.348 -1.069 5.540 333 HD2 TYR 44 HD1 TYR 44 5.374 0.401 5.550 334 HE1 TYR 44 HE2 TYR 44 0.709 0.642 7.193 335 HE2 TYR 44 HE1 TYR 44 4.749 2.116 7.214 336 HH TYR 44 HH TYR 44 2.806 2.273 9.056 337 H CYS 45 HN CYS 45 3.233 1.341 2.039 338 HA CYS 45 HA CYS 45 6.083 1.502 1.256 339 1HB CYS 45 HB2 CYS 45 3.724 3.307 0.689 340 2HB CYS 45 HB1 CYS 45 5.362 3.662 0.170 341 OH TYR 46 OH TYR 46 6.838 0.647 8.124 342 H TYR 46 HN TYR 46 7.008 3.748 1.486 343 HA TYR 46 HA TYR 46 6.303 5.140 4.000 344 1HB TYR 46 HB2 TYR 46 8.975 3.878 3.381 345 2HB TYR 46 HB1 TYR 46 8.815 5.191 4.533 346 HD1 TYR 46 HD2 TYR 46 7.578 4.872 6.623 347 HD2 TYR 46 HD1 TYR 46 8.167 1.643 3.877 348 HE1 TYR 46 HE2 TYR 46 6.934 3.270 8.395 349 HE2 TYR 46 HE1 TYR 46 7.533 0.023 5.647 350 HH TYR 46 HH TYR 46 6.429 1.139 8.839 351 H GLY 47 HN GLY 47 5.661 6.801 2.505 352 1HA GLY 47 HA2 GLY 47 7.118 8.971 1.952 353 2HA GLY 47 HA1 GLY 47 7.747 7.899 0.704 354 H LEU 48 HN LEU 48 4.397 7.439 1.498 355 HA LEU 48 HA LEU 48 3.607 8.259 -1.182 356 1HB LEU 48 HB2 LEU 48 1.882 7.492 1.200 357 2HB LEU 48 HB1 LEU 48 1.364 7.550 -0.484 358 HG LEU 48 HG LEU 48 3.534 5.740 0.613 359 1HD1 LEU 48 HD11 LEU 48 0.860 5.443 1.004 360 2HD1 LEU 48 HD13 LEU 48 1.041 4.645 -0.558 361 3HD1 LEU 48 HD12 LEU 48 1.973 4.087 0.831 362 1HD2 LEU 48 HD21 LEU 48 2.260 6.008 -2.129 363 2HD2 LEU 48 HD23 LEU 48 3.945 6.323 -1.714 364 3HD2 LEU 48 HD22 LEU 48 3.315 4.677 -1.655 365 HA PRO 49 HA PRO 49 2.493 12.428 -0.542 366 1HB PRO 49 HB2 PRO 49 -0.247 12.130 -1.451 367 2HB PRO 49 HB1 PRO 49 1.120 12.867 -2.299 368 1HG PRO 49 HG2 PRO 49 -0.106 10.335 -2.862 369 2HG PRO 49 HG1 PRO 49 1.318 11.035 -3.641 370 1HD PRO 49 HD2 PRO 49 1.226 8.806 -1.816 371 2HD PRO 49 HD1 PRO 49 2.653 9.515 -2.598 372 H ASP 50 HN ASP 50 1.364 13.727 1.014 373 HA ASP 50 HA ASP 50 0.551 12.463 3.374 374 1HB ASP 50 HB2 ASP 50 0.516 15.191 2.277 375 2HB ASP 50 HB1 ASP 50 -0.668 14.883 3.539 376 H ASN 51 HN ASN 51 -1.450 13.971 0.893 377 HA ASN 51 HA ASN 51 -3.894 13.054 2.104 378 1HB ASN 51 HB2 ASN 51 -4.949 14.179 0.258 379 2HB ASN 51 HB1 ASN 51 -3.651 15.202 0.846 380 1HD2 ASN 51 HD22 ASN 51 -3.277 15.071 -2.836 381 2HD2 ASN 51 HD21 ASN 51 -4.412 15.689 -1.735 382 H SER 52 HN SER 52 -1.606 11.387 0.400 383 HA SER 52 HA SER 52 -3.053 10.047 -1.636 384 1HB SER 52 HB2 SER 52 -1.054 9.053 -1.881 385 2HB SER 52 HB1 SER 52 -0.520 9.772 -0.369 386 HG SER 52 HG SER 52 -0.833 7.260 -0.822 387 HA PRO 53 HA PRO 53 -6.094 8.054 0.970 388 1HB PRO 53 HB2 PRO 53 -6.918 6.487 -1.303 389 2HB PRO 53 HB1 PRO 53 -7.744 7.873 -0.579 390 1HG PRO 53 HG2 PRO 53 -6.347 7.789 -3.090 391 2HG PRO 53 HG1 PRO 53 -7.133 9.184 -2.340 392 1HD PRO 53 HD2 PRO 53 -4.301 8.672 -2.609 393 2HD PRO 53 HD1 PRO 53 -5.096 10.090 -1.895 394 H THR 54 HN THR 54 -5.789 6.225 2.200 395 HA THR 54 HA THR 54 -4.319 3.927 0.980 396 HB THR 54 HB THR 54 -3.042 3.656 3.024 397 HG1 THR 54 HG1 THR 54 -4.909 5.499 3.925 398 1HG2 THR 54 HG21 THR 54 -2.693 5.663 1.222 399 2HG2 THR 54 HG23 THR 54 -2.775 6.583 2.725 400 3HG2 THR 54 HG22 THR 54 -1.564 5.315 2.531 401 H LYS 55 HN LYS 55 -4.662 1.884 2.337 402 HA LYS 55 HA LYS 55 -7.422 1.355 2.620 403 1HB LYS 55 HB2 LYS 55 -5.714 -0.390 2.210 404 2HB LYS 55 HB1 LYS 55 -5.101 -0.158 3.847 405 1HG LYS 55 HG2 LYS 55 -6.626 -2.070 3.811 406 2HG LYS 55 HG1 LYS 55 -7.357 -0.756 4.734 407 1HD LYS 55 HD2 LYS 55 -9.034 -0.474 3.230 408 2HD LYS 55 HD1 LYS 55 -7.949 -0.663 1.853 409 1HE LYS 55 HE2 LYS 55 -8.016 -3.066 2.033 410 2HE LYS 55 HE1 LYS 55 -8.880 -2.980 3.568 411 1HZ LYS 55 HZ1 LYS 55 -9.930 -1.933 0.998 412 2HZ LYS 55 HZ3 LYS 55 -10.326 -3.451 1.643 413 3HZ LYS 55 HZ2 LYS 55 -10.761 -2.037 2.475 414 H THR 56 HN THR 56 -8.795 1.474 4.351 415 HA THR 56 HA THR 56 -7.705 1.936 7.060 416 HB THR 56 HB THR 56 -9.613 3.827 5.666 417 HG1 THR 56 HG1 THR 56 -7.015 3.820 5.871 418 1HG2 THR 56 HG22 THR 56 -9.733 3.060 8.313 419 2HG2 THR 56 HG21 THR 56 -8.701 4.489 8.376 420 3HG2 THR 56 HG23 THR 56 -10.316 4.599 7.676 421 H SER 57 HN SER 57 -10.906 2.411 5.704 422 HA SER 57 HA SER 57 -11.821 -0.028 7.079 423 1HB SER 57 HB2 SER 57 -13.793 1.136 7.928 424 2HB SER 57 HB1 SER 57 -12.338 1.951 8.494 425 HG SER 57 HG SER 57 -12.735 3.599 7.186 426 H GLY 58 HN GLY 58 -11.479 -0.507 4.603 427 1HA GLY 58 HA2 GLY 58 -14.133 -0.102 3.294 428 2HA GLY 58 HA1 GLY 58 -12.645 0.126 2.374 429 H LYS 59 HN LYS 59 -13.833 -1.689 1.096 430 HA LYS 59 HA LYS 59 -12.854 -4.304 2.163 431 1HB LYS 59 HB2 LYS 59 -15.566 -3.534 1.307 432 2HB LYS 59 HB1 LYS 59 -14.971 -5.017 0.560 433 1HG LYS 59 HG2 LYS 59 -14.198 -5.527 3.064 434 2HG LYS 59 HG1 LYS 59 -15.532 -4.435 3.435 435 1HD LYS 59 HD2 LYS 59 -16.831 -5.923 1.683 436 2HD LYS 59 HD1 LYS 59 -15.596 -7.115 2.093 437 1HE LYS 59 HE2 LYS 59 -16.891 -7.638 3.872 438 2HE LYS 59 HE1 LYS 59 -16.364 -6.104 4.566 439 1HZ LYS 59 HZ3 LYS 59 -18.246 -5.047 3.370 440 2HZ LYS 59 HZ2 LYS 59 -18.794 -6.596 2.935 441 3HZ LYS 59 HZ1 LYS 59 -18.727 -6.144 4.572 442 H CYS 60 HN CYS 60 -11.989 -2.160 0.077 443 HA CYS 60 HA CYS 60 -10.929 -2.199 -2.016 444 1HB CYS 60 HB2 CYS 60 -9.643 -4.030 -1.032 445 2HB CYS 60 HB1 CYS 60 -10.929 -5.174 -1.416 446 H ASN 61 HN ASN 61 -12.231 -1.650 -3.716 447 HA ASN 61 HA ASN 61 -14.419 -3.525 -4.463 448 1HB ASN 61 HB2 ASN 61 -15.099 -1.204 -4.041 449 2HB ASN 61 HB1 ASN 61 -13.950 -0.635 -5.252 450 1HD2 ASN 61 HD22 ASN 61 -17.554 -1.482 -6.550 451 2HD2 ASN 61 HD21 ASN 61 -17.139 -0.933 -4.998 452 HA PRO 62 HA PRO 62 -12.097 -4.843 -7.974 453 1HB PRO 62 HB2 PRO 62 -14.458 -5.554 -9.424 454 2HB PRO 62 HB1 PRO 62 -13.408 -6.624 -8.487 455 1HG PRO 62 HG2 PRO 62 -16.076 -5.736 -7.822 456 2HG PRO 62 HG1 PRO 62 -15.037 -6.840 -6.911 457 1HD PRO 62 HD2 PRO 62 -15.705 -4.105 -6.272 458 2HD PRO 62 HD1 PRO 62 -14.674 -5.222 -5.353 459 H ALA 63 HN ALA 63 -11.601 -4.029 -10.068 460 HA ALA 63 HA ALA 63 -11.448 -2.279 -11.641 461 1HB ALA 63 HB3 ALA 63 -13.437 -3.699 -12.394 462 2HB ALA 63 HB2 ALA 63 -14.468 -2.475 -11.652 463 3HB ALA 63 HB1 ALA 63 -13.406 -2.039 -12.991 Start of MODEL 7 Raw file had 463 H/Q atoms Start of MODEL 7 1 1H LYS 1 HT3 LYS 1 4.433 13.593 3.453 2 2H LYS 1 HT2 LYS 1 5.942 13.516 2.674 3 3H LYS 1 HT1 LYS 1 4.536 13.851 1.780 4 HA LYS 1 HA LYS 1 3.901 11.708 1.665 5 1HB LYS 1 HB2 LYS 1 6.853 11.536 2.347 6 2HB LYS 1 HB1 LYS 1 5.919 10.194 1.693 7 1HG LYS 1 HG2 LYS 1 6.649 11.059 -0.302 8 2HG LYS 1 HG1 LYS 1 5.238 12.098 -0.088 9 1HD LYS 1 HD2 LYS 1 6.526 13.915 0.654 10 2HD LYS 1 HD1 LYS 1 7.890 12.888 1.100 11 1HE LYS 1 HE2 LYS 1 7.039 12.969 -1.771 12 2HE LYS 1 HE1 LYS 1 7.965 14.325 -1.127 13 1HZ LYS 1 HZ3 LYS 1 9.233 12.087 -0.184 14 2HZ LYS 1 HZ2 LYS 1 8.836 11.696 -1.789 15 3HZ LYS 1 HZ1 LYS 1 9.758 13.083 -1.453 16 H LYS 2 HN LYS 2 4.190 9.397 2.799 17 HA LYS 2 HA LYS 2 4.674 9.385 5.640 18 1HB LYS 2 HB2 LYS 2 2.494 9.361 6.534 19 2HB LYS 2 HB1 LYS 2 2.446 10.673 5.360 20 1HG LYS 2 HG2 LYS 2 1.597 7.848 4.675 21 2HG LYS 2 HG1 LYS 2 0.476 9.058 5.293 22 1HD LYS 2 HD2 LYS 2 0.922 10.522 3.415 23 2HD LYS 2 HD1 LYS 2 2.197 9.450 2.832 24 1HE LYS 2 HE2 LYS 2 0.446 8.721 1.509 25 2HE LYS 2 HE1 LYS 2 0.231 7.657 2.900 26 1HZ LYS 2 HZ2 LYS 2 -1.062 10.096 3.405 27 2HZ LYS 2 HZ1 LYS 2 -1.561 9.531 1.882 28 3HZ LYS 2 HZ3 LYS 2 -1.745 8.548 3.252 29 H ASP 3 HN ASP 3 4.128 7.229 6.600 30 HA ASP 3 HA ASP 3 4.459 5.104 4.574 31 1HB ASP 3 HB2 ASP 3 4.200 4.435 7.444 32 2HB ASP 3 HB1 ASP 3 5.411 3.901 6.282 33 H GLY 4 HN GLY 4 3.035 3.101 4.818 34 1HA GLY 4 HA2 GLY 4 0.806 2.721 6.332 35 2HA GLY 4 HA1 GLY 4 0.243 3.987 5.247 36 OH TYR 5 OH TYR 5 0.439 -3.174 8.070 37 H TYR 5 HN TYR 5 -1.295 2.070 4.833 38 HA TYR 5 HA TYR 5 -0.159 0.118 2.907 39 1HB TYR 5 HB2 TYR 5 -2.871 0.293 4.244 40 2HB TYR 5 HB1 TYR 5 -2.400 -0.969 3.105 41 HD1 TYR 5 HD1 TYR 5 -0.418 -2.443 3.655 42 HD2 TYR 5 HD2 TYR 5 -2.200 0.204 6.525 43 HE1 TYR 5 HE1 TYR 5 0.660 -3.714 5.488 44 HE2 TYR 5 HE2 TYR 5 -1.117 -1.061 8.364 45 HH TYR 5 HH TYR 5 1.077 -3.777 7.682 46 HA PRO 6 HA PRO 6 -1.614 3.076 -0.176 47 1HB PRO 6 HB2 PRO 6 -0.635 1.244 -2.176 48 2HB PRO 6 HB1 PRO 6 0.056 2.797 -1.687 49 1HG PRO 6 HG2 PRO 6 1.096 0.180 -1.126 50 2HG PRO 6 HG1 PRO 6 1.736 1.735 -0.579 51 1HD PRO 6 HD2 PRO 6 0.348 -0.268 0.981 52 2HD PRO 6 HD1 PRO 6 1.056 1.261 1.538 53 H VAL 7 HN VAL 7 -3.838 2.887 -0.341 54 HA VAL 7 HA VAL 7 -4.941 0.283 -1.285 55 HB VAL 7 HB VAL 7 -7.116 1.147 -0.522 56 1HG1 VAL 7 HG12 VAL 7 -4.838 1.377 1.460 57 2HG1 VAL 7 HG11 VAL 7 -6.539 1.309 1.922 58 3HG1 VAL 7 HG13 VAL 7 -5.792 -0.063 1.102 59 1HG2 VAL 7 HG21 VAL 7 -6.041 3.627 -0.896 60 2HG2 VAL 7 HG23 VAL 7 -7.482 3.319 0.071 61 3HG2 VAL 7 HG22 VAL 7 -5.910 3.469 0.854 62 H ASP 8 HN ASP 8 -6.100 0.156 -3.210 63 HA ASP 8 HA ASP 8 -5.542 2.094 -5.243 64 1HB ASP 8 HB2 ASP 8 -7.374 0.825 -6.514 65 2HB ASP 8 HB1 ASP 8 -5.998 -0.133 -5.968 66 H SER 9 HN SER 9 -7.922 2.591 -6.564 67 HA SER 9 HA SER 9 -8.968 4.813 -5.050 68 1HB SER 9 HB2 SER 9 -10.257 5.291 -6.965 69 2HB SER 9 HB1 SER 9 -8.828 4.502 -7.624 70 HG SER 9 HG SER 9 -11.410 3.436 -7.175 71 H GLY 10 HN GLY 10 -9.583 1.526 -4.845 72 1HA GLY 10 HA2 GLY 10 -12.401 1.949 -3.972 73 2HA GLY 10 HA1 GLY 10 -11.702 0.385 -4.392 74 H ASN 11 HN ASN 11 -9.403 2.013 -2.641 75 HA ASN 11 HA ASN 11 -8.786 2.016 -0.363 76 1HB ASN 11 HB2 ASN 11 -11.578 2.102 -0.263 77 2HB ASN 11 HB1 ASN 11 -11.148 0.724 0.749 78 1HD2 ASN 11 HD22 ASN 11 -10.688 4.366 2.268 79 2HD2 ASN 11 HD21 ASN 11 -11.682 3.990 0.945 80 H CYS 12 HN CYS 12 -7.865 -0.003 -1.905 81 HA CYS 12 HA CYS 12 -8.142 -2.391 -0.128 82 1HB CYS 12 HB2 CYS 12 -8.512 -2.163 -3.022 83 2HB CYS 12 HB1 CYS 12 -7.329 -3.390 -2.575 84 H LYS 13 HN LYS 13 -6.233 -2.478 0.967 85 HA LYS 13 HA LYS 13 -3.788 -1.314 0.013 86 1HB LYS 13 HB2 LYS 13 -2.732 -2.574 1.897 87 2HB LYS 13 HB1 LYS 13 -4.146 -1.651 2.400 88 1HG LYS 13 HG2 LYS 13 -5.511 -3.767 2.073 89 2HG LYS 13 HG1 LYS 13 -3.985 -4.627 1.881 90 1HD LYS 13 HD2 LYS 13 -3.809 -4.757 4.122 91 2HD LYS 13 HD1 LYS 13 -3.724 -2.997 4.190 92 1HE LYS 13 HE2 LYS 13 -6.198 -4.732 4.338 93 2HE LYS 13 HE1 LYS 13 -5.576 -3.631 5.569 94 1HZ LYS 13 HZ1 LYS 13 -5.908 -2.186 3.203 95 2HZ LYS 13 HZ3 LYS 13 -7.334 -3.068 3.461 96 3HZ LYS 13 HZ2 LYS 13 -6.751 -2.021 4.665 97 OH TYR 14 OH TYR 14 -3.353 1.396 -5.518 98 H TYR 14 HN TYR 14 -2.723 -2.072 -1.731 99 HA TYR 14 HA TYR 14 -3.044 -4.469 -3.080 100 1HB TYR 14 HB2 TYR 14 -0.341 -3.159 -2.720 101 2HB TYR 14 HB1 TYR 14 -0.927 -4.060 -4.121 102 HD1 TYR 14 HD1 TYR 14 -3.421 -3.115 -4.873 103 HD2 TYR 14 HD2 TYR 14 -0.252 -0.855 -3.054 104 HE1 TYR 14 HE1 TYR 14 -4.359 -1.031 -5.832 105 HE2 TYR 14 HE2 TYR 14 -1.189 1.227 -4.013 106 HH TYR 14 HH TYR 14 -3.962 1.153 -6.219 107 H GLU 15 HN GLU 15 -2.549 -6.570 -2.692 108 HA GLU 15 HA GLU 15 -1.185 -7.257 -0.160 109 1HB GLU 15 HB2 GLU 15 -2.839 -8.719 -2.183 110 2HB GLU 15 HB1 GLU 15 -1.779 -9.642 -1.120 111 1HG GLU 15 HG2 GLU 15 -3.126 -7.754 0.511 112 2HG GLU 15 HG1 GLU 15 -4.347 -8.486 -0.529 113 H CYS 16 HN CYS 16 0.608 -8.826 -0.151 114 HA CYS 16 HA CYS 16 1.939 -9.497 -2.638 115 1HB CYS 16 HB2 CYS 16 3.349 -7.776 -2.843 116 2HB CYS 16 HB1 CYS 16 2.496 -6.980 -1.534 117 H LEU 17 HN LEU 17 4.190 -10.526 -2.073 118 HA LEU 17 HA LEU 17 3.902 -11.977 0.530 119 1HB LEU 17 HB2 LEU 17 5.042 -13.201 -1.985 120 2HB LEU 17 HB1 LEU 17 4.509 -14.023 -0.519 121 HG LEU 17 HG LEU 17 2.271 -12.566 -1.375 122 1HD1 LEU 17 HD11 LEU 17 3.575 -12.346 -3.559 123 2HD1 LEU 17 HD13 LEU 17 3.427 -14.097 -3.714 124 3HD1 LEU 17 HD12 LEU 17 1.981 -13.089 -3.692 125 1HD2 LEU 17 HD21 LEU 17 3.083 -15.471 -1.628 126 2HD2 LEU 17 HD23 LEU 17 2.105 -14.735 -0.359 127 3HD2 LEU 17 HD22 LEU 17 1.454 -14.899 -1.990 128 H LYS 18 HN LYS 18 6.156 -10.859 -1.992 129 HA LYS 18 HA LYS 18 8.397 -11.273 -0.073 130 1HB LYS 18 HB2 LYS 18 8.170 -11.697 -2.850 131 2HB LYS 18 HB1 LYS 18 9.217 -10.290 -2.668 132 1HG LYS 18 HG2 LYS 18 10.570 -12.331 -2.615 133 2HG LYS 18 HG1 LYS 18 10.597 -11.557 -1.030 134 1HD LYS 18 HD2 LYS 18 8.612 -13.095 -0.442 135 2HD LYS 18 HD1 LYS 18 9.050 -14.005 -1.888 136 1HE LYS 18 HE2 LYS 18 10.890 -14.903 -0.910 137 2HE LYS 18 HE1 LYS 18 11.341 -13.376 -0.152 138 1HZ LYS 18 HZ2 LYS 18 8.959 -14.409 0.994 139 2HZ LYS 18 HZ1 LYS 18 10.203 -15.564 1.075 140 3HZ LYS 18 HZ3 LYS 18 10.433 -14.024 1.748 141 H ASP 19 HN ASP 19 9.792 -9.546 0.446 142 HA ASP 19 HA ASP 19 8.556 -6.995 0.774 143 1HB ASP 19 HB2 ASP 19 10.243 -7.528 2.330 144 2HB ASP 19 HB1 ASP 19 11.375 -8.018 1.071 145 H ASP 20 HN ASP 20 10.468 -8.327 -1.843 146 HA ASP 20 HA ASP 20 11.315 -5.852 -3.007 147 1HB ASP 20 HB2 ASP 20 11.741 -7.219 -4.975 148 2HB ASP 20 HB1 ASP 20 12.261 -8.096 -3.549 149 OH TYR 21 OH TYR 21 1.482 -5.742 -7.487 150 H TYR 21 HN TYR 21 8.316 -7.762 -3.334 151 HA TYR 21 HA TYR 21 7.343 -6.223 -5.569 152 1HB TYR 21 HB2 TYR 21 6.372 -8.434 -4.906 153 2HB TYR 21 HB1 TYR 21 5.701 -7.668 -3.466 154 HD1 TYR 21 HD1 TYR 21 5.852 -5.417 -6.252 155 HD2 TYR 21 HD2 TYR 21 3.487 -8.558 -4.517 156 HE1 TYR 21 HE1 TYR 21 3.886 -4.653 -7.550 157 HE2 TYR 21 HE2 TYR 21 1.521 -7.783 -5.812 158 HH TYR 21 HH TYR 21 1.572 -6.068 -8.386 159 H CYS 22 HN CYS 22 7.347 -5.777 -2.098 160 HA CYS 22 HA CYS 22 5.410 -3.619 -2.076 161 1HB CYS 22 HB2 CYS 22 7.554 -4.489 -0.128 162 2HB CYS 22 HB1 CYS 22 6.518 -3.098 0.167 163 H ASN 23 HN ASN 23 8.966 -3.736 -2.005 164 HA ASN 23 HA ASN 23 9.450 -0.944 -1.952 165 1HB ASN 23 HB2 ASN 23 11.153 -2.817 -1.782 166 2HB ASN 23 HB1 ASN 23 11.036 -3.024 -3.518 167 1HD2 ASN 23 HD22 ASN 23 13.364 -0.447 -4.082 168 2HD2 ASN 23 HD21 ASN 23 12.686 -1.922 -4.581 169 H ASP 24 HN ASP 24 9.162 -3.123 -4.717 170 HA ASP 24 HA ASP 24 9.359 -1.138 -6.763 171 1HB ASP 24 HB2 ASP 24 9.453 -3.496 -7.333 172 2HB ASP 24 HB1 ASP 24 7.830 -3.757 -6.710 173 H LEU 25 HN LEU 25 6.316 -2.817 -6.150 174 HA LEU 25 HA LEU 25 4.508 -1.034 -7.177 175 1HB LEU 25 HB2 LEU 25 3.666 -3.056 -6.269 176 2HB LEU 25 HB1 LEU 25 4.376 -2.744 -4.691 177 HG LEU 25 HG LEU 25 2.649 -0.575 -5.113 178 1HD1 LEU 25 HD12 LEU 25 1.774 -2.915 -6.622 179 2HD1 LEU 25 HD11 LEU 25 0.604 -2.460 -5.383 180 3HD1 LEU 25 HD13 LEU 25 1.100 -1.286 -6.601 181 1HD2 LEU 25 HD23 LEU 25 3.132 -2.616 -3.241 182 2HD2 LEU 25 HD22 LEU 25 2.046 -1.242 -3.033 183 3HD2 LEU 25 HD21 LEU 25 1.423 -2.773 -3.647 184 H CYS 26 HN CYS 26 6.314 -0.642 -4.201 185 HA CYS 26 HA CYS 26 4.856 1.549 -3.136 186 1HB CYS 26 HB2 CYS 26 7.520 0.280 -2.726 187 2HB CYS 26 HB1 CYS 26 7.304 1.883 -2.081 188 H LEU 27 HN LEU 27 7.915 1.415 -4.947 189 HA LEU 27 HA LEU 27 8.351 4.157 -5.262 190 1HB LEU 27 HB2 LEU 27 9.013 1.777 -7.007 191 2HB LEU 27 HB1 LEU 27 9.520 3.412 -7.436 192 HG LEU 27 HG LEU 27 10.122 2.120 -4.764 193 1HD1 LEU 27 HD11 LEU 27 11.679 2.208 -7.349 194 2HD1 LEU 27 HD13 LEU 27 12.496 2.062 -5.793 195 3HD1 LEU 27 HD12 LEU 27 11.355 0.820 -6.309 196 1HD2 LEU 27 HD22 LEU 27 10.116 4.756 -5.418 197 2HD2 LEU 27 HD21 LEU 27 11.226 4.054 -4.242 198 3HD2 LEU 27 HD23 LEU 27 11.755 4.321 -5.902 199 H GLU 28 HN GLU 28 6.178 1.971 -6.950 200 HA GLU 28 HA GLU 28 5.517 3.606 -9.150 201 1HB GLU 28 HB2 GLU 28 4.746 1.326 -9.129 202 2HB GLU 28 HB1 GLU 28 3.880 1.585 -7.615 203 1HG GLU 28 HG2 GLU 28 2.206 1.688 -9.300 204 2HG GLU 28 HG1 GLU 28 2.529 3.370 -8.880 205 NH1 ARG 29 NH2 ARG 29 -0.914 2.656 -6.258 206 NH2 ARG 29 NH1 ARG 29 0.112 1.174 -7.621 207 H ARG 29 HN ARG 29 4.039 3.349 -5.969 208 HA ARG 29 HA ARG 29 2.179 5.487 -6.407 209 1HB ARG 29 HB2 ARG 29 3.076 3.886 -4.062 210 2HB ARG 29 HB1 ARG 29 2.252 5.413 -3.744 211 1HG ARG 29 HG2 ARG 29 0.272 4.453 -4.194 212 2HG ARG 29 HG1 ARG 29 0.830 4.044 -5.817 213 1HD ARG 29 HD2 ARG 29 2.056 2.285 -3.899 214 2HD ARG 29 HD1 ARG 29 0.310 2.262 -3.679 215 HE ARG 29 HE ARG 29 1.699 0.956 -5.770 216 1HH1 ARG 29 HH21 ARG 29 -0.974 3.133 -5.384 217 2HH1 ARG 29 HH22 ARG 29 -1.618 2.801 -6.955 218 1HH2 ARG 29 HH11 ARG 29 0.848 0.518 -7.792 219 2HH2 ARG 29 HH12 ARG 29 -0.597 1.321 -8.311 220 H LYS 30 HN LYS 30 5.489 5.411 -5.749 221 HA LYS 30 HA LYS 30 6.871 7.403 -5.941 222 1HB LYS 30 HB2 LYS 30 6.147 9.546 -5.368 223 2HB LYS 30 HB1 LYS 30 4.652 8.812 -5.936 224 1HG LYS 30 HG2 LYS 30 3.770 9.454 -3.942 225 2HG LYS 30 HG1 LYS 30 4.685 8.115 -3.255 226 1HD LYS 30 HD2 LYS 30 5.037 10.348 -2.102 227 2HD LYS 30 HD1 LYS 30 6.510 9.564 -2.653 228 1HE LYS 30 HE2 LYS 30 5.268 11.321 -4.666 229 2HE LYS 30 HE1 LYS 30 5.841 12.159 -3.224 230 1HZ LYS 30 HZ3 LYS 30 7.735 10.233 -4.012 231 2HZ LYS 30 HZ2 LYS 30 7.355 11.213 -5.347 232 3HZ LYS 30 HZ1 LYS 30 7.915 11.916 -3.906 233 H ALA 31 HN ALA 31 5.810 5.425 -3.579 234 HA ALA 31 HA ALA 31 6.899 6.652 -1.218 235 1HB ALA 31 HB1 ALA 31 5.460 4.367 -1.713 236 2HB ALA 31 HB3 ALA 31 7.054 3.719 -1.327 237 3HB ALA 31 HB2 ALA 31 6.224 4.762 -0.173 238 H ASP 32 HN ASP 32 8.906 6.394 -0.269 239 HA ASP 32 HA ASP 32 11.156 6.139 -2.007 240 1HB ASP 32 HB2 ASP 32 10.871 7.421 0.253 241 2HB ASP 32 HB1 ASP 32 11.321 5.884 0.978 242 H LYS 33 HN LYS 33 10.059 4.168 0.741 243 HA LYS 33 HA LYS 33 11.060 1.739 -0.658 244 1HB LYS 33 HB2 LYS 33 11.915 1.097 1.794 245 2HB LYS 33 HB1 LYS 33 12.952 1.962 0.660 246 1HG LYS 33 HG2 LYS 33 12.928 3.847 1.908 247 2HG LYS 33 HG1 LYS 33 11.190 3.738 2.188 248 1HD LYS 33 HD2 LYS 33 11.460 2.283 4.035 249 2HD LYS 33 HD1 LYS 33 13.124 1.896 3.593 250 1HE LYS 33 HE2 LYS 33 12.322 4.722 4.263 251 2HE LYS 33 HE1 LYS 33 12.746 3.574 5.534 252 1HZ LYS 33 HZ3 LYS 33 14.784 3.155 3.977 253 2HZ LYS 33 HZ2 LYS 33 14.428 4.722 3.424 254 3HZ LYS 33 HZ1 LYS 33 14.780 4.456 5.065 255 H GLY 34 HN GLY 34 10.240 -0.275 0.542 256 1HA GLY 34 HA2 GLY 34 8.151 0.010 2.496 257 2HA GLY 34 HA1 GLY 34 7.460 -0.136 0.887 258 OH TYR 35 OH TYR 35 7.291 -1.444 8.528 259 H TYR 35 HN TYR 35 7.709 -1.988 3.376 260 HA TYR 35 HA TYR 35 8.734 -4.346 1.848 261 1HB TYR 35 HB2 TYR 35 8.814 -5.451 4.162 262 2HB TYR 35 HB1 TYR 35 10.039 -4.241 3.821 263 HD1 TYR 35 HD1 TYR 35 6.505 -4.334 5.099 264 HD2 TYR 35 HD2 TYR 35 10.462 -2.713 5.513 265 HE1 TYR 35 HE1 TYR 35 5.772 -3.048 7.086 266 HE2 TYR 35 HE2 TYR 35 9.727 -1.425 7.500 267 HH TYR 35 HH TYR 35 7.290 -2.041 9.280 268 H CYS 36 HN CYS 36 7.521 -6.410 2.997 269 HA CYS 36 HA CYS 36 4.640 -5.774 2.576 270 1HB CYS 36 HB2 CYS 36 6.185 -7.690 1.397 271 2HB CYS 36 HB1 CYS 36 5.427 -8.613 2.693 272 OH TYR 37 OH TYR 37 2.464 -5.618 12.529 273 H TYR 37 HN TYR 37 3.646 -5.365 4.443 274 HA TYR 37 HA TYR 37 4.520 -6.514 6.955 275 1HB TYR 37 HB2 TYR 37 3.249 -4.295 6.594 276 2HB TYR 37 HB1 TYR 37 1.804 -5.289 6.436 277 HD1 TYR 37 HD2 TYR 37 4.752 -4.759 8.683 278 HD2 TYR 37 HD1 TYR 37 0.637 -5.940 8.371 279 HE1 TYR 37 HE2 TYR 37 4.611 -4.925 11.153 280 HE2 TYR 37 HE1 TYR 37 0.494 -6.106 10.838 281 HH TYR 37 HH TYR 37 3.357 -5.601 12.880 282 CH2 TRP 38 CH2 TRP 38 3.356 -15.611 3.726 283 H TRP 38 HN TRP 38 4.465 -8.737 6.766 284 HA TRP 38 HA TRP 38 2.453 -10.257 5.509 285 1HB TRP 38 HB2 TRP 38 4.654 -10.783 7.380 286 2HB TRP 38 HB1 TRP 38 3.306 -11.910 7.541 287 HD1 TRP 38 HD1 TRP 38 5.612 -10.481 4.793 288 HE1 TRP 38 HE1 TRP 38 5.831 -12.260 2.938 289 HE3 TRP 38 HE3 TRP 38 2.377 -14.003 6.570 290 HZ2 TRP 38 HZ2 TRP 38 4.769 -14.839 2.295 291 HZ3 TRP 38 HZ3 TRP 38 1.994 -16.107 5.320 292 HH2 TRP 38 HH2 TRP 38 3.184 -16.531 3.186 293 H GLY 39 HN GLY 39 2.604 -11.059 8.904 294 1HA GLY 39 HA2 GLY 39 0.738 -11.444 10.321 295 2HA GLY 39 HA1 GLY 39 0.533 -9.705 10.096 296 H LYS 40 HN LYS 40 0.293 -11.928 7.412 297 HA LYS 40 HA LYS 40 -1.461 -12.321 5.923 298 1HB LYS 40 HB2 LYS 40 -2.655 -12.639 8.651 299 2HB LYS 40 HB1 LYS 40 -3.717 -12.699 7.242 300 1HG LYS 40 HG2 LYS 40 -1.717 -14.302 6.373 301 2HG LYS 40 HG1 LYS 40 -1.615 -14.611 8.107 302 1HD LYS 40 HD2 LYS 40 -3.227 -16.162 7.590 303 2HD LYS 40 HD1 LYS 40 -4.280 -14.767 7.821 304 1HE LYS 40 HE2 LYS 40 -3.609 -14.414 5.221 305 2HE LYS 40 HE1 LYS 40 -3.528 -16.174 5.320 306 1HZ LYS 40 HZ3 LYS 40 -5.830 -14.696 6.425 307 2HZ LYS 40 HZ2 LYS 40 -5.765 -15.094 4.774 308 3HZ LYS 40 HZ1 LYS 40 -5.739 -16.321 5.949 309 H VAL 41 HN VAL 41 -0.923 -9.713 5.706 310 HA VAL 41 HA VAL 41 -3.633 -8.523 5.596 311 HB VAL 41 HB VAL 41 -2.891 -7.527 7.600 312 1HG1 VAL 41 HG12 VAL 41 -0.312 -7.936 6.445 313 2HG1 VAL 41 HG11 VAL 41 -0.447 -6.255 6.939 314 3HG1 VAL 41 HG13 VAL 41 -0.709 -7.544 8.116 315 1HG2 VAL 41 HG21 VAL 41 -3.537 -5.995 5.506 316 2HG2 VAL 41 HG23 VAL 41 -3.072 -5.292 7.055 317 3HG2 VAL 41 HG22 VAL 41 -1.892 -5.407 5.749 318 H SER 42 HN SER 42 -0.414 -6.966 4.875 319 HA SER 42 HA SER 42 -0.729 -7.389 2.026 320 1HB SER 42 HB2 SER 42 -2.239 -5.238 3.236 321 2HB SER 42 HB1 SER 42 -1.104 -4.630 2.039 322 HG SER 42 HG SER 42 -3.271 -6.368 1.756 323 H CYS 43 HN CYS 43 0.345 -5.115 0.984 324 HA CYS 43 HA CYS 43 3.165 -5.304 1.651 325 1HB CYS 43 HB2 CYS 43 1.502 -4.146 -0.431 326 2HB CYS 43 HB1 CYS 43 2.726 -2.995 0.091 327 OH TYR 44 OH TYR 44 2.878 2.317 8.246 328 H TYR 44 HN TYR 44 4.266 -2.903 1.714 329 HA TYR 44 HA TYR 44 2.765 -0.988 3.344 330 1HB TYR 44 HB2 TYR 44 3.700 -2.794 4.956 331 2HB TYR 44 HB1 TYR 44 5.267 -2.051 4.637 332 HD1 TYR 44 HD2 TYR 44 1.886 -1.502 5.982 333 HD2 TYR 44 HD1 TYR 44 5.789 0.215 5.444 334 HE1 TYR 44 HE2 TYR 44 1.294 0.317 7.540 335 HE2 TYR 44 HE1 TYR 44 5.195 2.036 7.009 336 HH TYR 44 HH TYR 44 2.924 1.971 9.140 337 H CYS 45 HN CYS 45 3.380 0.953 2.546 338 HA CYS 45 HA CYS 45 6.096 1.167 1.347 339 1HB CYS 45 HB2 CYS 45 3.641 2.898 1.020 340 2HB CYS 45 HB1 CYS 45 5.209 3.284 0.332 341 OH TYR 46 OH TYR 46 7.168 0.867 8.500 342 H TYR 46 HN TYR 46 6.992 3.416 1.480 343 HA TYR 46 HA TYR 46 6.548 4.790 4.063 344 1HB TYR 46 HB2 TYR 46 9.055 3.356 3.220 345 2HB TYR 46 HB1 TYR 46 9.170 4.787 4.240 346 HD1 TYR 46 HD2 TYR 46 7.727 4.836 6.356 347 HD2 TYR 46 HD1 TYR 46 8.564 1.249 4.175 348 HE1 TYR 46 HE2 TYR 46 7.121 3.500 8.350 349 HE2 TYR 46 HE1 TYR 46 7.963 -0.104 6.170 350 HH TYR 46 HH TYR 46 6.274 0.541 8.381 351 H GLY 47 HN GLY 47 5.977 6.700 3.043 352 1HA GLY 47 HA2 GLY 47 7.096 8.826 2.273 353 2HA GLY 47 HA1 GLY 47 7.950 7.828 1.092 354 H LEU 48 HN LEU 48 4.766 6.779 1.635 355 HA LEU 48 HA LEU 48 3.875 7.096 -0.999 356 1HB LEU 48 HB2 LEU 48 2.360 6.997 1.618 357 2HB LEU 48 HB1 LEU 48 1.533 7.061 0.061 358 HG LEU 48 HG LEU 48 3.669 5.006 0.634 359 1HD1 LEU 48 HD11 LEU 48 1.035 5.194 1.806 360 2HD1 LEU 48 HD13 LEU 48 1.121 3.790 0.742 361 3HD1 LEU 48 HD12 LEU 48 2.275 3.966 2.064 362 1HD2 LEU 48 HD21 LEU 48 1.600 5.530 -1.465 363 2HD2 LEU 48 HD23 LEU 48 3.259 4.963 -1.648 364 3HD2 LEU 48 HD22 LEU 48 2.002 3.853 -1.101 365 HA PRO 49 HA PRO 49 3.005 11.313 -1.662 366 1HB PRO 49 HB2 PRO 49 0.311 10.920 -2.627 367 2HB PRO 49 HB1 PRO 49 1.777 11.211 -3.572 368 1HG PRO 49 HG2 PRO 49 0.317 8.749 -3.344 369 2HG PRO 49 HG1 PRO 49 1.822 9.031 -4.230 370 1HD PRO 49 HD2 PRO 49 1.461 7.574 -1.758 371 2HD PRO 49 HD1 PRO 49 2.958 7.817 -2.677 372 H ASP 50 HN ASP 50 1.878 13.066 -0.640 373 HA ASP 50 HA ASP 50 0.850 12.606 1.928 374 1HB ASP 50 HB2 ASP 50 1.092 14.882 0.078 375 2HB ASP 50 HB1 ASP 50 -0.181 15.034 1.281 376 H ASN 51 HN ASN 51 -0.839 13.356 -1.062 377 HA ASN 51 HA ASN 51 -3.445 13.019 0.131 378 1HB ASN 51 HB2 ASN 51 -4.164 13.369 -2.267 379 2HB ASN 51 HB1 ASN 51 -3.220 14.679 -1.579 380 1HD2 ASN 51 HD22 ASN 51 -1.530 14.192 -4.745 381 2HD2 ASN 51 HD21 ASN 51 -2.872 14.988 -4.075 382 H SER 52 HN SER 52 -1.285 10.754 -0.412 383 HA SER 52 HA SER 52 -2.578 8.919 -2.215 384 1HB SER 52 HB2 SER 52 -0.157 8.840 -1.496 385 2HB SER 52 HB1 SER 52 -0.706 8.218 0.056 386 HG SER 52 HG SER 52 -1.748 6.963 -2.178 387 HA PRO 53 HA PRO 53 -5.856 7.827 0.640 388 1HB PRO 53 HB2 PRO 53 -6.815 5.836 -1.142 389 2HB PRO 53 HB1 PRO 53 -7.412 7.493 -0.986 390 1HG PRO 53 HG2 PRO 53 -5.858 6.336 -3.156 391 2HG PRO 53 HG1 PRO 53 -6.586 7.944 -3.062 392 1HD PRO 53 HD2 PRO 53 -3.803 7.262 -2.823 393 2HD PRO 53 HD1 PRO 53 -4.541 8.872 -2.689 394 H THR 54 HN THR 54 -5.337 6.483 2.353 395 HA THR 54 HA THR 54 -4.225 3.785 1.695 396 HB THR 54 HB THR 54 -3.035 3.871 3.844 397 HG1 THR 54 HG1 THR 54 -3.048 5.929 4.927 398 1HG2 THR 54 HG22 THR 54 -2.292 5.062 1.569 399 2HG2 THR 54 HG21 THR 54 -2.363 6.493 2.597 400 3HG2 THR 54 HG23 THR 54 -1.305 5.149 3.027 401 H LYS 55 HN LYS 55 -4.832 2.072 3.239 402 HA LYS 55 HA LYS 55 -7.533 1.725 3.641 403 1HB LYS 55 HB2 LYS 55 -6.113 -0.141 4.052 404 2HB LYS 55 HB1 LYS 55 -5.213 0.724 5.297 405 1HG LYS 55 HG2 LYS 55 -6.891 -0.959 6.184 406 2HG LYS 55 HG1 LYS 55 -7.094 0.681 6.799 407 1HD LYS 55 HD2 LYS 55 -9.279 -0.152 6.172 408 2HD LYS 55 HD1 LYS 55 -8.804 1.079 5.002 409 1HE LYS 55 HE2 LYS 55 -7.842 -0.919 3.634 410 2HE LYS 55 HE1 LYS 55 -8.875 -1.914 4.661 411 1HZ LYS 55 HZ2 LYS 55 -10.583 -0.012 3.964 412 2HZ LYS 55 HZ1 LYS 55 -9.598 -0.018 2.581 413 3HZ LYS 55 HZ3 LYS 55 -10.377 -1.442 3.071 414 H THR 56 HN THR 56 -8.867 3.245 4.551 415 HA THR 56 HA THR 56 -8.020 4.513 7.114 416 HB THR 56 HB THR 56 -10.572 5.409 5.993 417 HG1 THR 56 HG1 THR 56 -9.756 6.268 4.132 418 1HG2 THR 56 HG21 THR 56 -8.206 6.439 7.324 419 2HG2 THR 56 HG23 THR 56 -8.674 7.471 5.972 420 3HG2 THR 56 HG22 THR 56 -9.832 7.119 7.255 421 H SER 57 HN SER 57 -10.853 5.054 7.817 422 HA SER 57 HA SER 57 -11.388 2.482 9.079 423 1HB SER 57 HB2 SER 57 -13.307 3.829 10.136 424 2HB SER 57 HB1 SER 57 -11.666 4.311 10.555 425 HG SER 57 HG SER 57 -13.173 5.441 8.430 426 H GLY 58 HN GLY 58 -11.732 2.038 6.447 427 1HA GLY 58 HA2 GLY 58 -14.695 1.856 6.205 428 2HA GLY 58 HA1 GLY 58 -13.770 2.502 4.850 429 H LYS 59 HN LYS 59 -15.311 0.245 4.469 430 HA LYS 59 HA LYS 59 -13.389 -2.032 4.531 431 1HB LYS 59 HB2 LYS 59 -16.226 -2.353 3.629 432 2HB LYS 59 HB1 LYS 59 -15.207 -3.471 4.538 433 1HG LYS 59 HG2 LYS 59 -15.324 -1.545 6.368 434 2HG LYS 59 HG1 LYS 59 -16.819 -1.147 5.521 435 1HD LYS 59 HD2 LYS 59 -16.951 -3.907 5.761 436 2HD LYS 59 HD1 LYS 59 -16.231 -3.402 7.291 437 1HE LYS 59 HE2 LYS 59 -18.801 -2.331 6.092 438 2HE LYS 59 HE1 LYS 59 -18.670 -3.395 7.491 439 1HZ LYS 59 HZ2 LYS 59 -17.167 -0.887 7.532 440 2HZ LYS 59 HZ1 LYS 59 -18.848 -0.802 7.752 441 3HZ LYS 59 HZ3 LYS 59 -17.903 -1.732 8.808 442 H CYS 60 HN CYS 60 -12.438 -2.654 2.652 443 HA CYS 60 HA CYS 60 -12.708 -1.133 0.255 444 1HB CYS 60 HB2 CYS 60 -10.713 -2.519 0.895 445 2HB CYS 60 HB1 CYS 60 -11.650 -3.960 0.505 446 H ASN 61 HN ASN 61 -14.967 -1.116 -0.289 447 HA ASN 61 HA ASN 61 -16.190 -3.699 -1.034 448 1HB ASN 61 HB2 ASN 61 -18.220 -2.295 -1.285 449 2HB ASN 61 HB1 ASN 61 -17.539 -2.172 0.323 450 1HD2 ASN 61 HD22 ASN 61 -17.804 1.108 -2.002 451 2HD2 ASN 61 HD21 ASN 61 -18.446 -0.394 -2.461 452 HA PRO 62 HA PRO 62 -15.551 -3.164 -5.335 453 1HB PRO 62 HB2 PRO 62 -18.253 -3.805 -6.088 454 2HB PRO 62 HB1 PRO 62 -16.837 -4.863 -6.120 455 1HG PRO 62 HG2 PRO 62 -19.060 -4.953 -4.284 456 2HG PRO 62 HG1 PRO 62 -17.641 -6.010 -4.323 457 1HD PRO 62 HD2 PRO 62 -18.245 -3.942 -2.407 458 2HD PRO 62 HD1 PRO 62 -16.819 -4.997 -2.456 459 H ALA 63 HN ALA 63 -17.461 -2.303 -7.258 460 HA ALA 63 HA ALA 63 -18.039 0.465 -6.273 461 1HB ALA 63 HB3 ALA 63 -17.036 -0.565 -8.916 462 2HB ALA 63 HB2 ALA 63 -17.909 0.965 -8.837 463 3HB ALA 63 HB1 ALA 63 -16.409 0.759 -7.933 Start of MODEL 8 Raw file had 463 H/Q atoms Start of MODEL 8 1 1H LYS 1 HT3 LYS 1 4.709 13.909 2.689 2 2H LYS 1 HT2 LYS 1 6.082 13.934 1.691 3 3H LYS 1 HT1 LYS 1 4.547 14.248 1.037 4 HA LYS 1 HA LYS 1 4.262 12.111 0.592 5 1HB LYS 1 HB2 LYS 1 6.130 10.571 0.899 6 2HB LYS 1 HB1 LYS 1 6.768 12.142 0.409 7 1HG LYS 1 HG2 LYS 1 6.589 12.268 3.210 8 2HG LYS 1 HG1 LYS 1 7.239 10.665 2.860 9 1HD LYS 1 HD2 LYS 1 8.868 11.829 1.270 10 2HD LYS 1 HD1 LYS 1 8.354 13.343 2.015 11 1HE LYS 1 HE2 LYS 1 9.075 11.166 3.894 12 2HE LYS 1 HE1 LYS 1 10.409 11.847 2.962 13 1HZ LYS 1 HZ1 LYS 1 9.185 14.068 3.679 14 2HZ LYS 1 HZ3 LYS 1 8.728 13.094 4.990 15 3HZ LYS 1 HZ2 LYS 1 10.374 13.333 4.645 16 H LYS 2 HN LYS 2 4.289 9.775 1.807 17 HA LYS 2 HA LYS 2 3.947 9.835 4.668 18 1HB LYS 2 HB2 LYS 2 1.922 10.995 4.397 19 2HB LYS 2 HB1 LYS 2 1.521 10.136 2.912 20 1HG LYS 2 HG2 LYS 2 1.819 8.393 5.275 21 2HG LYS 2 HG1 LYS 2 0.473 9.531 5.373 22 1HD LYS 2 HD2 LYS 2 0.964 7.824 2.926 23 2HD LYS 2 HD1 LYS 2 -0.040 7.276 4.269 24 1HE LYS 2 HE2 LYS 2 -1.725 8.758 3.794 25 2HE LYS 2 HE1 LYS 2 -0.612 10.000 3.225 26 1HZ LYS 2 HZ2 LYS 2 -0.719 7.597 1.609 27 2HZ LYS 2 HZ1 LYS 2 -2.143 8.524 1.613 28 3HZ LYS 2 HZ3 LYS 2 -0.676 9.229 1.132 29 H ASP 3 HN ASP 3 4.050 7.771 5.424 30 HA ASP 3 HA ASP 3 4.311 5.562 3.512 31 1HB ASP 3 HB2 ASP 3 4.130 5.229 6.493 32 2HB ASP 3 HB1 ASP 3 5.144 4.359 5.339 33 H GLY 4 HN GLY 4 2.920 3.531 3.876 34 1HA GLY 4 HA2 GLY 4 0.691 3.172 5.388 35 2HA GLY 4 HA1 GLY 4 0.114 4.385 4.252 36 OH TYR 5 OH TYR 5 0.008 -2.372 7.700 37 H TYR 5 HN TYR 5 -1.369 2.378 3.933 38 HA TYR 5 HA TYR 5 -0.190 0.407 2.049 39 1HB TYR 5 HB2 TYR 5 -2.983 0.565 3.225 40 2HB TYR 5 HB1 TYR 5 -2.341 -0.767 2.268 41 HD1 TYR 5 HD2 TYR 5 0.086 -1.616 3.207 42 HD2 TYR 5 HD1 TYR 5 -3.015 0.248 5.520 43 HE1 TYR 5 HE2 TYR 5 0.992 -2.662 5.264 44 HE2 TYR 5 HE1 TYR 5 -2.104 -0.793 7.578 45 HH TYR 5 HH TYR 5 0.440 -1.684 8.212 46 HA PRO 6 HA PRO 6 -1.786 3.292 -1.062 47 1HB PRO 6 HB2 PRO 6 -0.558 1.740 -3.105 48 2HB PRO 6 HB1 PRO 6 0.050 3.240 -2.394 49 1HG PRO 6 HG2 PRO 6 1.071 0.548 -2.034 50 2HG PRO 6 HG1 PRO 6 1.737 2.065 -1.413 51 1HD PRO 6 HD2 PRO 6 0.338 0.020 0.059 52 2HD PRO 6 HD1 PRO 6 1.002 1.545 0.673 53 H VAL 7 HN VAL 7 -3.878 3.021 -1.748 54 HA VAL 7 HA VAL 7 -4.718 0.283 -2.625 55 HB VAL 7 HB VAL 7 -7.016 0.995 -2.135 56 1HG1 VAL 7 HG12 VAL 7 -5.533 0.032 -0.350 57 2HG1 VAL 7 HG11 VAL 7 -5.170 1.677 0.163 58 3HG1 VAL 7 HG13 VAL 7 -6.818 1.065 0.278 59 1HG2 VAL 7 HG23 VAL 7 -6.179 3.524 -2.558 60 2HG2 VAL 7 HG22 VAL 7 -7.613 3.152 -1.603 61 3HG2 VAL 7 HG21 VAL 7 -6.079 3.487 -0.800 62 H ASP 8 HN ASP 8 -5.591 0.026 -4.684 63 HA ASP 8 HA ASP 8 -4.937 1.996 -6.655 64 1HB ASP 8 HB2 ASP 8 -5.907 0.534 -8.243 65 2HB ASP 8 HB1 ASP 8 -5.320 -0.541 -6.975 66 H SER 9 HN SER 9 -7.191 2.313 -8.262 67 HA SER 9 HA SER 9 -8.501 4.509 -6.973 68 1HB SER 9 HB2 SER 9 -9.903 4.601 -8.968 69 2HB SER 9 HB1 SER 9 -8.238 4.272 -9.442 70 HG SER 9 HG SER 9 -10.491 2.706 -9.634 71 H GLY 10 HN GLY 10 -9.270 1.104 -7.143 72 1HA GLY 10 HA2 GLY 10 -12.041 1.509 -6.264 73 2HA GLY 10 HA1 GLY 10 -11.251 -0.046 -6.514 74 H ASN 11 HN ASN 11 -9.132 1.708 -4.652 75 HA ASN 11 HA ASN 11 -8.759 1.855 -2.325 76 1HB ASN 11 HB2 ASN 11 -11.514 2.015 -2.472 77 2HB ASN 11 HB1 ASN 11 -11.272 0.581 -1.476 78 1HD2 ASN 11 HD22 ASN 11 -11.246 3.414 0.891 79 2HD2 ASN 11 HD21 ASN 11 -12.383 2.630 -0.096 80 H CYS 12 HN CYS 12 -7.894 -0.274 -3.854 81 HA CYS 12 HA CYS 12 -8.316 -2.639 -2.077 82 1HB CYS 12 HB2 CYS 12 -7.975 -2.325 -4.995 83 2HB CYS 12 HB1 CYS 12 -7.026 -3.625 -4.275 84 H LYS 13 HN LYS 13 -6.687 -2.578 -0.587 85 HA LYS 13 HA LYS 13 -4.152 -1.332 -0.955 86 1HB LYS 13 HB2 LYS 13 -3.475 -2.628 1.058 87 2HB LYS 13 HB1 LYS 13 -5.044 -1.848 1.269 88 1HG LYS 13 HG2 LYS 13 -6.133 -4.005 0.557 89 2HG LYS 13 HG1 LYS 13 -4.536 -4.754 0.572 90 1HD LYS 13 HD2 LYS 13 -4.938 -5.202 2.750 91 2HD LYS 13 HD1 LYS 13 -4.637 -3.488 3.028 92 1HE LYS 13 HE2 LYS 13 -7.169 -3.215 2.396 93 2HE LYS 13 HE1 LYS 13 -7.263 -4.931 2.793 94 1HZ LYS 13 HZ1 LYS 13 -5.796 -3.363 4.712 95 2HZ LYS 13 HZ3 LYS 13 -7.426 -2.915 4.579 96 3HZ LYS 13 HZ2 LYS 13 -7.016 -4.519 4.959 97 OH TYR 14 OH TYR 14 -2.745 0.488 -7.529 98 H TYR 14 HN TYR 14 -2.536 -1.977 -2.300 99 HA TYR 14 HA TYR 14 -2.506 -4.398 -3.756 100 1HB TYR 14 HB2 TYR 14 -0.160 -2.655 -2.934 101 2HB TYR 14 HB1 TYR 14 -0.098 -3.910 -4.172 102 HD1 TYR 14 HD2 TYR 14 -2.779 -3.561 -5.437 103 HD2 TYR 14 HD1 TYR 14 0.125 -0.655 -4.181 104 HE1 TYR 14 HE2 TYR 14 -3.657 -1.961 -7.117 105 HE2 TYR 14 HE1 TYR 14 -0.753 0.945 -5.857 106 HH TYR 14 HH TYR 14 -3.698 0.533 -7.428 107 H GLU 15 HN GLU 15 -2.516 -6.370 -2.801 108 HA GLU 15 HA GLU 15 -1.229 -6.803 -0.207 109 1HB GLU 15 HB2 GLU 15 -3.404 -7.892 -1.336 110 2HB GLU 15 HB1 GLU 15 -2.208 -9.082 -1.850 111 1HG GLU 15 HG2 GLU 15 -1.469 -9.333 0.504 112 2HG GLU 15 HG1 GLU 15 -2.712 -8.181 1.002 113 H CYS 16 HN CYS 16 0.568 -8.181 0.152 114 HA CYS 16 HA CYS 16 1.913 -9.459 -2.096 115 1HB CYS 16 HB2 CYS 16 3.378 -7.835 -2.621 116 2HB CYS 16 HB1 CYS 16 2.540 -6.761 -1.514 117 H LEU 17 HN LEU 17 3.790 -10.717 -1.351 118 HA LEU 17 HA LEU 17 3.828 -11.118 1.605 119 1HB LEU 17 HB2 LEU 17 4.035 -13.408 -0.350 120 2HB LEU 17 HB1 LEU 17 3.709 -13.470 1.382 121 HG LEU 17 HG LEU 17 1.838 -12.109 -0.565 122 1HD1 LEU 17 HD11 LEU 17 1.889 -14.984 0.391 123 2HD1 LEU 17 HD13 LEU 17 0.469 -14.223 -0.329 124 3HD1 LEU 17 HD12 LEU 17 1.945 -14.410 -1.276 125 1HD2 LEU 17 HD22 LEU 17 1.608 -13.128 2.283 126 2HD2 LEU 17 HD21 LEU 17 1.519 -11.452 1.740 127 3HD2 LEU 17 HD23 LEU 17 0.230 -12.582 1.327 128 H LYS 18 HN LYS 18 5.551 -10.067 -0.890 129 HA LYS 18 HA LYS 18 8.092 -11.205 0.184 130 1HB LYS 18 HB2 LYS 18 7.414 -10.630 -2.719 131 2HB LYS 18 HB1 LYS 18 9.015 -11.082 -2.131 132 1HG LYS 18 HG2 LYS 18 8.412 -13.264 -1.744 133 2HG LYS 18 HG1 LYS 18 6.755 -12.838 -1.317 134 1HD LYS 18 HD2 LYS 18 7.767 -12.566 -4.148 135 2HD LYS 18 HD1 LYS 18 7.111 -14.089 -3.546 136 1HE LYS 18 HE2 LYS 18 5.474 -11.699 -2.949 137 2HE LYS 18 HE1 LYS 18 5.584 -12.125 -4.657 138 1HZ LYS 18 HZ2 LYS 18 5.149 -14.510 -3.702 139 2HZ LYS 18 HZ1 LYS 18 4.435 -13.637 -2.432 140 3HZ LYS 18 HZ3 LYS 18 3.862 -13.445 -4.015 141 H ASP 19 HN ASP 19 9.201 -9.564 1.110 142 HA ASP 19 HA ASP 19 8.576 -6.855 1.065 143 1HB ASP 19 HB2 ASP 19 10.671 -8.435 2.082 144 2HB ASP 19 HB1 ASP 19 11.447 -7.148 1.158 145 H ASP 20 HN ASP 20 10.178 -8.675 -1.438 146 HA ASP 20 HA ASP 20 11.402 -6.403 -2.748 147 1HB ASP 20 HB2 ASP 20 12.359 -8.086 -3.904 148 2HB ASP 20 HB1 ASP 20 11.306 -9.237 -3.095 149 OH TYR 21 OH TYR 21 1.323 -5.480 -6.486 150 H TYR 21 HN TYR 21 8.489 -8.319 -3.669 151 HA TYR 21 HA TYR 21 7.546 -6.599 -5.680 152 1HB TYR 21 HB2 TYR 21 6.410 -8.690 -5.289 153 2HB TYR 21 HB1 TYR 21 6.010 -8.226 -3.635 154 HD1 TYR 21 HD2 TYR 21 4.487 -6.188 -3.284 155 HD2 TYR 21 HD1 TYR 21 4.980 -8.130 -7.084 156 HE1 TYR 21 HE2 TYR 21 2.382 -5.154 -4.087 157 HE2 TYR 21 HE1 TYR 21 2.876 -7.092 -7.886 158 HH TYR 21 HH TYR 21 0.589 -5.999 -6.150 159 H CYS 22 HN CYS 22 7.552 -6.219 -2.222 160 HA CYS 22 HA CYS 22 5.680 -4.016 -2.140 161 1HB CYS 22 HB2 CYS 22 7.104 -5.609 -0.274 162 2HB CYS 22 HB1 CYS 22 7.522 -3.931 0.027 163 H ASN 23 HN ASN 23 9.222 -4.242 -2.223 164 HA ASN 23 HA ASN 23 9.659 -1.399 -2.008 165 1HB ASN 23 HB2 ASN 23 11.514 -2.929 -1.683 166 2HB ASN 23 HB1 ASN 23 11.278 -3.656 -3.257 167 1HD2 ASN 23 HD22 ASN 23 13.332 -1.314 -4.856 168 2HD2 ASN 23 HD21 ASN 23 12.575 -2.834 -4.874 169 H ASP 24 HN ASP 24 9.895 -3.545 -4.815 170 HA ASP 24 HA ASP 24 10.028 -1.625 -6.847 171 1HB ASP 24 HB2 ASP 24 10.089 -4.202 -6.989 172 2HB ASP 24 HB1 ASP 24 8.339 -4.110 -7.100 173 H LEU 25 HN LEU 25 6.972 -3.290 -5.998 174 HA LEU 25 HA LEU 25 5.198 -1.626 -7.340 175 1HB LEU 25 HB2 LEU 25 4.359 -3.587 -6.231 176 2HB LEU 25 HB1 LEU 25 4.907 -3.009 -4.661 177 HG LEU 25 HG LEU 25 3.274 -0.954 -5.379 178 1HD1 LEU 25 HD12 LEU 25 2.682 -2.313 -7.471 179 2HD1 LEU 25 HD11 LEU 25 1.852 -3.429 -6.384 180 3HD1 LEU 25 HD13 LEU 25 1.322 -1.751 -6.498 181 1HD2 LEU 25 HD23 LEU 25 3.167 -3.300 -3.665 182 2HD2 LEU 25 HD22 LEU 25 2.576 -1.668 -3.352 183 3HD2 LEU 25 HD21 LEU 25 1.553 -2.831 -4.195 184 H CYS 26 HN CYS 26 6.721 -1.087 -4.198 185 HA CYS 26 HA CYS 26 5.303 1.233 -3.448 186 1HB CYS 26 HB2 CYS 26 7.838 -0.124 -2.714 187 2HB CYS 26 HB1 CYS 26 7.673 1.534 -2.200 188 H LEU 27 HN LEU 27 8.263 0.824 -5.345 189 HA LEU 27 HA LEU 27 8.880 3.600 -5.547 190 1HB LEU 27 HB2 LEU 27 9.608 1.337 -7.433 191 2HB LEU 27 HB1 LEU 27 10.420 2.898 -7.327 192 HG LEU 27 HG LEU 27 10.368 0.680 -5.281 193 1HD1 LEU 27 HD13 LEU 27 12.223 1.632 -7.248 194 2HD1 LEU 27 HD12 LEU 27 12.905 1.917 -5.646 195 3HD1 LEU 27 HD11 LEU 27 12.415 0.290 -6.120 196 1HD2 LEU 27 HD22 LEU 27 11.201 3.575 -4.914 197 2HD2 LEU 27 HD21 LEU 27 9.891 2.746 -4.073 198 3HD2 LEU 27 HD23 LEU 27 11.565 2.279 -3.774 199 H GLU 28 HN GLU 28 6.895 1.389 -7.448 200 HA GLU 28 HA GLU 28 6.482 3.101 -9.674 201 1HB GLU 28 HB2 GLU 28 5.580 0.551 -8.831 202 2HB GLU 28 HB1 GLU 28 4.142 1.520 -9.158 203 1HG GLU 28 HG2 GLU 28 5.867 2.146 -11.258 204 2HG GLU 28 HG1 GLU 28 6.086 0.411 -11.029 205 NH1 ARG 29 NH2 ARG 29 0.320 4.119 -7.808 206 NH2 ARG 29 NH1 ARG 29 1.669 2.892 -9.139 207 H ARG 29 HN ARG 29 4.959 2.830 -6.562 208 HA ARG 29 HA ARG 29 2.804 4.647 -7.169 209 1HB ARG 29 HB2 ARG 29 3.360 2.845 -5.120 210 2HB ARG 29 HB1 ARG 29 3.457 4.426 -4.341 211 1HG ARG 29 HG2 ARG 29 1.194 4.233 -4.189 212 2HG ARG 29 HG1 ARG 29 1.219 4.729 -5.880 213 1HD ARG 29 HD2 ARG 29 1.342 1.858 -4.938 214 2HD ARG 29 HD1 ARG 29 -0.130 2.652 -5.488 215 HE ARG 29 HE ARG 29 1.912 1.490 -7.147 216 1HH1 ARG 29 HH21 ARG 29 -0.133 4.263 -6.929 217 2HH1 ARG 29 HH22 ARG 29 0.145 4.746 -8.568 218 1HH2 ARG 29 HH11 ARG 29 2.258 2.096 -9.278 219 2HH2 ARG 29 HH12 ARG 29 1.483 3.515 -9.899 220 H LYS 30 HN LYS 30 6.076 5.057 -6.537 221 HA LYS 30 HA LYS 30 7.197 7.181 -6.697 222 1HB LYS 30 HB2 LYS 30 6.129 9.212 -6.404 223 2HB LYS 30 HB1 LYS 30 4.752 8.215 -6.853 224 1HG LYS 30 HG2 LYS 30 3.791 8.956 -4.937 225 2HG LYS 30 HG1 LYS 30 4.889 7.863 -4.100 226 1HD LYS 30 HD2 LYS 30 4.996 10.176 -3.194 227 2HD LYS 30 HD1 LYS 30 6.542 9.661 -3.865 228 1HE LYS 30 HE2 LYS 30 4.732 10.962 -5.803 229 2HE LYS 30 HE1 LYS 30 5.296 12.012 -4.504 230 1HZ LYS 30 HZ3 LYS 30 7.428 10.430 -5.462 231 2HZ LYS 30 HZ2 LYS 30 6.690 11.232 -6.764 232 3HZ LYS 30 HZ1 LYS 30 7.281 12.119 -5.442 233 H ALA 31 HN ALA 31 6.218 5.224 -4.275 234 HA ALA 31 HA ALA 31 7.100 6.703 -1.954 235 1HB ALA 31 HB1 ALA 31 5.667 4.457 -2.225 236 2HB ALA 31 HB3 ALA 31 7.256 3.730 -1.985 237 3HB ALA 31 HB2 ALA 31 6.586 4.809 -0.761 238 H ASP 32 HN ASP 32 9.071 6.475 -0.832 239 HA ASP 32 HA ASP 32 11.413 6.214 -2.448 240 1HB ASP 32 HB2 ASP 32 10.930 7.523 -0.203 241 2HB ASP 32 HB1 ASP 32 11.485 6.027 0.533 242 H LYS 33 HN LYS 33 10.013 4.270 0.159 243 HA LYS 33 HA LYS 33 11.018 1.793 -1.052 244 1HB LYS 33 HB2 LYS 33 12.146 1.177 1.195 245 2HB LYS 33 HB1 LYS 33 13.025 2.254 0.111 246 1HG LYS 33 HG2 LYS 33 13.176 3.657 1.879 247 2HG LYS 33 HG1 LYS 33 11.471 4.005 1.600 248 1HD LYS 33 HD2 LYS 33 10.940 3.067 3.569 249 2HD LYS 33 HD1 LYS 33 11.659 1.542 3.049 250 1HE LYS 33 HE2 LYS 33 13.927 2.756 3.621 251 2HE LYS 33 HE1 LYS 33 12.894 3.779 4.621 252 1HZ LYS 33 HZ1 LYS 33 11.966 1.514 5.428 253 2HZ LYS 33 HZ3 LYS 33 13.441 0.901 4.857 254 3HZ LYS 33 HZ2 LYS 33 13.431 2.098 6.063 255 H GLY 34 HN GLY 34 10.233 -0.129 0.317 256 1HA GLY 34 HA2 GLY 34 8.305 0.368 2.404 257 2HA GLY 34 HA1 GLY 34 7.503 0.085 0.873 258 OH TYR 35 OH TYR 35 6.055 -1.064 8.480 259 H TYR 35 HN TYR 35 7.697 -1.515 3.429 260 HA TYR 35 HA TYR 35 8.769 -4.036 2.225 261 1HB TYR 35 HB2 TYR 35 8.767 -4.919 4.561 262 2HB TYR 35 HB1 TYR 35 9.854 -3.560 4.350 263 HD1 TYR 35 HD2 TYR 35 6.294 -4.299 5.284 264 HD2 TYR 35 HD1 TYR 35 9.712 -1.757 5.854 265 HE1 TYR 35 HE2 TYR 35 5.095 -3.084 7.073 266 HE2 TYR 35 HE1 TYR 35 8.511 -0.548 7.650 267 HH TYR 35 HH TYR 35 5.546 -1.706 8.982 268 H CYS 36 HN CYS 36 7.471 -5.952 3.341 269 HA CYS 36 HA CYS 36 4.581 -5.291 2.912 270 1HB CYS 36 HB2 CYS 36 6.151 -7.292 1.760 271 2HB CYS 36 HB1 CYS 36 5.200 -8.140 2.980 272 OH TYR 37 OH TYR 37 3.437 -5.382 12.975 273 H TYR 37 HN TYR 37 3.349 -5.279 4.718 274 HA TYR 37 HA TYR 37 4.478 -6.479 7.188 275 1HB TYR 37 HB2 TYR 37 3.463 -4.087 6.975 276 2HB TYR 37 HB1 TYR 37 1.909 -4.910 7.048 277 HD1 TYR 37 HD2 TYR 37 1.250 -6.179 9.062 278 HD2 TYR 37 HD1 TYR 37 4.944 -4.004 8.898 279 HE1 TYR 37 HE2 TYR 37 1.458 -6.361 11.524 280 HE2 TYR 37 HE1 TYR 37 5.156 -4.181 11.365 281 HH TYR 37 HH TYR 37 4.359 -5.555 13.183 282 CH2 TRP 38 CH2 TRP 38 -0.051 -14.665 5.436 283 H TRP 38 HN TRP 38 3.455 -8.191 8.294 284 HA TRP 38 HA TRP 38 1.437 -9.630 6.671 285 1HB TRP 38 HB2 TRP 38 3.624 -10.444 8.330 286 2HB TRP 38 HB1 TRP 38 2.138 -11.155 8.962 287 HD1 TRP 38 HD1 TRP 38 4.511 -11.294 6.040 288 HE1 TRP 38 HE1 TRP 38 3.774 -13.152 4.411 289 HE3 TRP 38 HE3 TRP 38 -0.046 -12.448 8.027 290 HZ2 TRP 38 HZ2 TRP 38 1.542 -14.893 4.001 291 HZ3 TRP 38 HZ3 TRP 38 -1.458 -14.206 7.002 292 HH2 TRP 38 HH2 TRP 38 -0.672 -15.430 4.994 293 H GLY 39 HN GLY 39 1.792 -8.329 9.998 294 1HA GLY 39 HA2 GLY 39 -0.496 -9.247 11.262 295 2HA GLY 39 HA1 GLY 39 0.014 -7.559 11.393 296 H LYS 40 HN LYS 40 -0.230 -7.103 8.563 297 HA LYS 40 HA LYS 40 -3.135 -7.357 8.023 298 1HB LYS 40 HB2 LYS 40 -1.835 -4.797 7.222 299 2HB LYS 40 HB1 LYS 40 -3.480 -5.086 7.781 300 1HG LYS 40 HG2 LYS 40 -2.038 -5.669 10.036 301 2HG LYS 40 HG1 LYS 40 -1.070 -4.377 9.326 302 1HD LYS 40 HD2 LYS 40 -3.453 -3.246 8.998 303 2HD LYS 40 HD1 LYS 40 -3.880 -4.298 10.348 304 1HE LYS 40 HE2 LYS 40 -1.755 -3.381 11.493 305 2HE LYS 40 HE1 LYS 40 -1.793 -2.119 10.261 306 1HZ LYS 40 HZ2 LYS 40 -4.299 -2.673 11.629 307 2HZ LYS 40 HZ1 LYS 40 -3.087 -1.926 12.558 308 3HZ LYS 40 HZ3 LYS 40 -3.635 -1.190 11.131 309 H VAL 41 HN VAL 41 -2.121 -9.084 6.691 310 HA VAL 41 HA VAL 41 -0.129 -9.010 4.862 311 HB VAL 41 HB VAL 41 -1.380 -10.523 3.425 312 1HG1 VAL 41 HG11 VAL 41 -1.135 -10.788 6.251 313 2HG1 VAL 41 HG13 VAL 41 -2.680 -11.500 5.787 314 3HG1 VAL 41 HG12 VAL 41 -1.187 -12.073 5.044 315 1HG2 VAL 41 HG22 VAL 41 -3.674 -9.060 4.620 316 2HG2 VAL 41 HG21 VAL 41 -3.497 -9.751 3.006 317 3HG2 VAL 41 HG23 VAL 41 -3.906 -10.791 4.371 318 H SER 42 HN SER 42 0.343 -6.984 4.066 319 HA SER 42 HA SER 42 -0.985 -6.233 1.602 320 1HB SER 42 HB2 SER 42 -1.674 -4.859 4.120 321 2HB SER 42 HB1 SER 42 -1.187 -3.785 2.812 322 HG SER 42 HG SER 42 -2.913 -4.330 1.715 323 H CYS 43 HN CYS 43 0.103 -4.063 0.825 324 HA CYS 43 HA CYS 43 2.975 -4.353 1.495 325 1HB CYS 43 HB2 CYS 43 1.500 -3.834 -0.928 326 2HB CYS 43 HB1 CYS 43 2.668 -2.542 -0.649 327 OH TYR 44 OH TYR 44 2.690 3.534 7.832 328 H TYR 44 HN TYR 44 3.863 -2.933 2.845 329 HA TYR 44 HA TYR 44 2.523 -0.325 3.315 330 1HB TYR 44 HB2 TYR 44 3.227 -1.963 5.196 331 2HB TYR 44 HB1 TYR 44 4.866 -1.396 4.886 332 HD1 TYR 44 HD2 TYR 44 1.413 -0.120 5.440 333 HD2 TYR 44 HD1 TYR 44 5.610 0.584 5.961 334 HE1 TYR 44 HE2 TYR 44 0.905 1.904 6.744 335 HE2 TYR 44 HE1 TYR 44 5.112 2.617 7.274 336 HH TYR 44 HH TYR 44 3.506 4.028 7.941 337 H CYS 45 HN CYS 45 3.276 1.298 2.027 338 HA CYS 45 HA CYS 45 6.099 1.248 1.120 339 1HB CYS 45 HB2 CYS 45 3.754 3.001 0.370 340 2HB CYS 45 HB1 CYS 45 5.385 3.267 -0.229 341 OH TYR 46 OH TYR 46 7.075 1.195 7.940 342 H TYR 46 HN TYR 46 7.061 3.545 0.999 343 HA TYR 46 HA TYR 46 6.506 5.203 3.396 344 1HB TYR 46 HB2 TYR 46 9.105 3.800 2.772 345 2HB TYR 46 HB1 TYR 46 9.065 5.246 3.772 346 HD1 TYR 46 HD1 TYR 46 7.874 5.213 5.955 347 HD2 TYR 46 HD2 TYR 46 8.306 1.686 3.582 348 HE1 TYR 46 HE1 TYR 46 7.248 3.839 7.913 349 HE2 TYR 46 HE2 TYR 46 7.689 0.291 5.532 350 HH TYR 46 HH TYR 46 7.486 1.571 8.722 351 H GLY 47 HN GLY 47 5.897 6.894 1.992 352 1HA GLY 47 HA2 GLY 47 7.235 8.933 1.104 353 2HA GLY 47 HA1 GLY 47 7.935 7.764 -0.013 354 H LEU 48 HN LEU 48 4.623 7.243 0.796 355 HA LEU 48 HA LEU 48 3.768 7.545 -1.932 356 1HB LEU 48 HB2 LEU 48 2.177 7.385 0.646 357 2HB LEU 48 HB1 LEU 48 1.488 7.228 -0.965 358 HG LEU 48 HG LEU 48 3.796 5.477 -0.210 359 1HD1 LEU 48 HD13 LEU 48 1.542 5.596 1.396 360 2HD1 LEU 48 HD12 LEU 48 1.165 4.289 0.271 361 3HD1 LEU 48 HD11 LEU 48 2.628 4.211 1.253 362 1HD2 LEU 48 HD23 LEU 48 1.910 5.735 -2.358 363 2HD2 LEU 48 HD22 LEU 48 3.261 4.611 -2.220 364 3HD2 LEU 48 HD21 LEU 48 1.676 4.167 -1.588 365 HA PRO 49 HA PRO 49 2.737 11.768 -2.288 366 1HB PRO 49 HB2 PRO 49 -0.019 11.325 -3.082 367 2HB PRO 49 HB1 PRO 49 1.355 11.793 -4.094 368 1HG PRO 49 HG2 PRO 49 0.059 9.256 -4.068 369 2HG PRO 49 HG1 PRO 49 1.555 9.672 -4.914 370 1HD PRO 49 HD2 PRO 49 1.220 8.035 -2.531 371 2HD PRO 49 HD1 PRO 49 2.693 8.307 -3.483 372 H ASP 50 HN ASP 50 1.680 13.432 -1.086 373 HA ASP 50 HA ASP 50 0.880 12.906 1.517 374 1HB ASP 50 HB2 ASP 50 0.887 15.171 -0.265 375 2HB ASP 50 HB1 ASP 50 -0.534 15.189 0.771 376 H ASN 51 HN ASN 51 -1.376 13.904 -1.006 377 HA ASN 51 HA ASN 51 -3.642 12.896 0.434 378 1HB ASN 51 HB2 ASN 51 -4.903 13.772 -1.399 379 2HB ASN 51 HB1 ASN 51 -3.603 14.909 -1.090 380 1HD2 ASN 51 HD22 ASN 51 -3.550 14.355 -4.739 381 2HD2 ASN 51 HD21 ASN 51 -4.570 15.106 -3.610 382 H SER 52 HN SER 52 -1.329 11.208 -1.093 383 HA SER 52 HA SER 52 -2.313 9.558 -3.036 384 1HB SER 52 HB2 SER 52 -0.094 9.349 -1.805 385 2HB SER 52 HB1 SER 52 -0.960 8.423 -0.583 386 HG SER 52 HG SER 52 -1.288 7.741 -3.278 387 HA PRO 53 HA PRO 53 -6.118 8.034 -1.270 388 1HB PRO 53 HB2 PRO 53 -6.312 6.103 -3.387 389 2HB PRO 53 HB1 PRO 53 -7.190 7.630 -3.229 390 1HG PRO 53 HG2 PRO 53 -5.060 7.007 -5.071 391 2HG PRO 53 HG1 PRO 53 -5.947 8.528 -4.911 392 1HD PRO 53 HD2 PRO 53 -3.231 7.974 -4.115 393 2HD PRO 53 HD1 PRO 53 -4.122 9.502 -3.966 394 H THR 54 HN THR 54 -5.419 6.874 0.569 395 HA THR 54 HA THR 54 -4.318 4.148 0.058 396 HB THR 54 HB THR 54 -3.470 4.277 2.395 397 HG1 THR 54 HG1 THR 54 -4.556 5.712 3.506 398 1HG2 THR 54 HG23 THR 54 -2.252 5.107 0.272 399 2HG2 THR 54 HG22 THR 54 -2.611 6.728 0.868 400 3HG2 THR 54 HG21 THR 54 -1.620 5.633 1.832 401 H LYS 55 HN LYS 55 -4.999 2.517 1.773 402 HA LYS 55 HA LYS 55 -7.709 1.995 1.698 403 1HB LYS 55 HB2 LYS 55 -6.050 0.366 2.510 404 2HB LYS 55 HB1 LYS 55 -5.822 1.321 3.975 405 1HG LYS 55 HG2 LYS 55 -7.396 -0.616 4.276 406 2HG LYS 55 HG1 LYS 55 -8.123 0.948 4.649 407 1HD LYS 55 HD2 LYS 55 -9.628 0.758 2.972 408 2HD LYS 55 HD1 LYS 55 -8.396 0.230 1.825 409 1HE LYS 55 HE2 LYS 55 -8.463 -2.027 3.063 410 2HE LYS 55 HE1 LYS 55 -9.962 -1.447 3.789 411 1HZ LYS 55 HZ1 LYS 55 -9.822 -1.071 0.937 412 2HZ LYS 55 HZ3 LYS 55 -9.771 -2.701 1.406 413 3HZ LYS 55 HZ2 LYS 55 -11.072 -1.720 1.889 414 H THR 56 HN THR 56 -9.349 3.290 2.334 415 HA THR 56 HA THR 56 -8.984 5.168 4.566 416 HB THR 56 HB THR 56 -11.250 4.653 2.638 417 HG1 THR 56 HG1 THR 56 -10.385 7.148 2.693 418 1HG2 THR 56 HG22 THR 56 -11.122 6.343 5.123 419 2HG2 THR 56 HG21 THR 56 -12.109 6.861 3.757 420 3HG2 THR 56 HG23 THR 56 -12.434 5.317 4.545 421 H SER 57 HN SER 57 -11.728 3.108 3.815 422 HA SER 57 HA SER 57 -11.571 1.417 6.074 423 1HB SER 57 HB2 SER 57 -13.748 2.757 7.065 424 2HB SER 57 HB1 SER 57 -12.116 2.889 7.710 425 HG SER 57 HG SER 57 -12.018 4.847 6.958 426 H GLY 58 HN GLY 58 -12.171 0.510 3.768 427 1HA GLY 58 HA2 GLY 58 -15.070 -0.058 3.866 428 2HA GLY 58 HA1 GLY 58 -14.458 0.648 2.368 429 H LYS 59 HN LYS 59 -15.269 -1.503 1.503 430 HA LYS 59 HA LYS 59 -13.244 -3.654 1.965 431 1HB LYS 59 HB2 LYS 59 -16.132 -3.687 1.770 432 2HB LYS 59 HB1 LYS 59 -15.421 -4.719 0.528 433 1HG LYS 59 HG2 LYS 59 -13.906 -5.229 2.829 434 2HG LYS 59 HG1 LYS 59 -15.574 -5.150 3.397 435 1HD LYS 59 HD2 LYS 59 -16.252 -6.777 1.678 436 2HD LYS 59 HD1 LYS 59 -14.594 -6.845 1.080 437 1HE LYS 59 HE2 LYS 59 -14.149 -7.360 3.696 438 2HE LYS 59 HE1 LYS 59 -15.769 -8.037 3.533 439 1HZ LYS 59 HZ1 LYS 59 -14.662 -9.009 1.348 440 2HZ LYS 59 HZ3 LYS 59 -13.266 -8.885 2.303 441 3HZ LYS 59 HZ2 LYS 59 -14.582 -9.815 2.842 442 H CYS 60 HN CYS 60 -12.920 -1.352 0.152 443 HA CYS 60 HA CYS 60 -12.148 -0.964 -2.030 444 1HB CYS 60 HB2 CYS 60 -10.821 -3.052 -1.503 445 2HB CYS 60 HB1 CYS 60 -12.106 -3.985 -2.272 446 H ASN 61 HN ASN 61 -13.989 -0.074 -2.985 447 HA ASN 61 HA ASN 61 -16.226 -1.757 -3.819 448 1HB ASN 61 HB2 ASN 61 -15.652 1.079 -3.551 449 2HB ASN 61 HB1 ASN 61 -16.458 0.729 -5.080 450 1HD2 ASN 61 HD22 ASN 61 -19.569 0.437 -3.480 451 2HD2 ASN 61 HD21 ASN 61 -18.686 0.901 -4.853 452 HA PRO 62 HA PRO 62 -14.040 -2.717 -7.635 453 1HB PRO 62 HB2 PRO 62 -16.229 -4.341 -8.467 454 2HB PRO 62 HB1 PRO 62 -14.709 -4.886 -7.747 455 1HG PRO 62 HG2 PRO 62 -17.340 -4.861 -6.537 456 2HG PRO 62 HG1 PRO 62 -15.827 -5.470 -5.851 457 1HD PRO 62 HD2 PRO 62 -17.236 -3.047 -5.159 458 2HD PRO 62 HD1 PRO 62 -15.735 -3.676 -4.459 459 H ALA 63 HN ALA 63 -14.917 -2.748 -10.031 460 HA ALA 63 HA ALA 63 -16.855 -0.489 -10.315 461 1HB ALA 63 HB1 ALA 63 -14.582 -1.366 -12.120 462 2HB ALA 63 HB3 ALA 63 -15.726 -0.080 -12.506 463 3HB ALA 63 HB2 ALA 63 -14.632 0.095 -11.134 Start of MODEL 9 Raw file had 463 H/Q atoms Start of MODEL 9 1 1H LYS 1 HT3 LYS 1 5.217 13.795 3.612 2 2H LYS 1 HT2 LYS 1 6.427 14.011 2.439 3 3H LYS 1 HT1 LYS 1 4.790 14.172 2.014 4 HA LYS 1 HA LYS 1 4.617 12.025 1.569 5 1HB LYS 1 HB2 LYS 1 7.534 11.928 2.407 6 2HB LYS 1 HB1 LYS 1 6.702 10.718 1.426 7 1HG LYS 1 HG2 LYS 1 6.124 12.636 -0.173 8 2HG LYS 1 HG1 LYS 1 7.312 13.590 0.715 9 1HD LYS 1 HD2 LYS 1 8.872 11.513 0.291 10 2HD LYS 1 HD1 LYS 1 7.737 11.179 -1.019 11 1HE LYS 1 HE2 LYS 1 8.103 13.803 -1.456 12 2HE LYS 1 HE1 LYS 1 9.655 13.438 -0.705 13 1HZ LYS 1 HZ3 LYS 1 9.323 11.381 -2.417 14 2HZ LYS 1 HZ2 LYS 1 8.636 12.670 -3.284 15 3HZ LYS 1 HZ1 LYS 1 10.241 12.771 -2.735 16 H LYS 2 HN LYS 2 4.840 9.721 2.549 17 HA LYS 2 HA LYS 2 5.347 9.487 5.382 18 1HB LYS 2 HB2 LYS 2 2.978 9.111 6.073 19 2HB LYS 2 HB1 LYS 2 3.279 10.774 5.569 20 1HG LYS 2 HG2 LYS 2 1.400 10.405 4.304 21 2HG LYS 2 HG1 LYS 2 2.578 9.717 3.186 22 1HD LYS 2 HD2 LYS 2 2.204 7.485 4.342 23 2HD LYS 2 HD1 LYS 2 0.844 8.236 5.175 24 1HE LYS 2 HE2 LYS 2 1.063 8.399 2.178 25 2HE LYS 2 HE1 LYS 2 0.387 6.962 2.945 26 1HZ LYS 2 HZ2 LYS 2 -0.576 9.617 3.760 27 2HZ LYS 2 HZ1 LYS 2 -1.145 8.942 2.308 28 3HZ LYS 2 HZ3 LYS 2 -1.387 8.124 3.775 29 H ASP 3 HN ASP 3 4.775 7.319 6.176 30 HA ASP 3 HA ASP 3 4.882 5.309 3.997 31 1HB ASP 3 HB2 ASP 3 4.992 4.653 6.922 32 2HB ASP 3 HB1 ASP 3 5.841 3.882 5.581 33 H GLY 4 HN GLY 4 3.188 3.719 3.803 34 1HA GLY 4 HA2 GLY 4 1.163 3.315 5.766 35 2HA GLY 4 HA1 GLY 4 0.590 4.555 4.656 36 OH TYR 5 OH TYR 5 0.877 -3.131 6.991 37 H TYR 5 HN TYR 5 -1.084 2.847 4.289 38 HA TYR 5 HA TYR 5 -0.164 0.711 2.415 39 1HB TYR 5 HB2 TYR 5 -2.623 1.024 4.144 40 2HB TYR 5 HB1 TYR 5 -2.536 -0.174 2.855 41 HD1 TYR 5 HD2 TYR 5 -0.471 -1.742 2.868 42 HD2 TYR 5 HD1 TYR 5 -1.774 0.507 6.275 43 HE1 TYR 5 HE2 TYR 5 0.767 -3.292 4.355 44 HE2 TYR 5 HE1 TYR 5 -0.541 -1.043 7.771 45 HH TYR 5 HH TYR 5 1.409 -3.712 6.441 46 HA PRO 6 HA PRO 6 -1.977 3.708 -0.505 47 1HB PRO 6 HB2 PRO 6 -0.857 2.133 -2.620 48 2HB PRO 6 HB1 PRO 6 -0.288 3.700 -2.024 49 1HG PRO 6 HG2 PRO 6 0.939 1.103 -1.652 50 2HG PRO 6 HG1 PRO 6 1.535 2.679 -1.114 51 1HD PRO 6 HD2 PRO 6 0.415 0.584 0.505 52 2HD PRO 6 HD1 PRO 6 0.968 2.186 1.035 53 H VAL 7 HN VAL 7 -4.139 3.342 -0.926 54 HA VAL 7 HA VAL 7 -4.976 0.574 -1.678 55 HB VAL 7 HB VAL 7 -7.297 1.443 -1.207 56 1HG1 VAL 7 HG12 VAL 7 -5.151 1.494 0.922 57 2HG1 VAL 7 HG11 VAL 7 -6.867 1.628 1.311 58 3HG1 VAL 7 HG13 VAL 7 -6.252 0.176 0.520 59 1HG2 VAL 7 HG23 VAL 7 -6.609 3.863 -1.574 60 2HG2 VAL 7 HG22 VAL 7 -7.567 3.570 -0.124 61 3HG2 VAL 7 HG21 VAL 7 -5.823 3.798 0.004 62 H ASP 8 HN ASP 8 -6.293 0.247 -3.548 63 HA ASP 8 HA ASP 8 -5.619 1.910 -5.791 64 1HB ASP 8 HB2 ASP 8 -7.527 0.535 -6.898 65 2HB ASP 8 HB1 ASP 8 -6.098 -0.331 -6.339 66 H SER 9 HN SER 9 -7.957 2.306 -7.210 67 HA SER 9 HA SER 9 -9.001 4.696 -5.949 68 1HB SER 9 HB2 SER 9 -10.716 3.879 -8.075 69 2HB SER 9 HB1 SER 9 -9.500 5.153 -8.094 70 HG SER 9 HG SER 9 -9.010 3.624 -9.665 71 H GLY 10 HN GLY 10 -9.647 1.509 -5.336 72 1HA GLY 10 HA2 GLY 10 -12.503 2.052 -4.669 73 2HA GLY 10 HA1 GLY 10 -11.838 0.442 -4.944 74 H ASN 11 HN ASN 11 -9.542 2.136 -3.215 75 HA ASN 11 HA ASN 11 -9.038 2.290 -0.914 76 1HB ASN 11 HB2 ASN 11 -11.684 2.689 -0.833 77 2HB ASN 11 HB1 ASN 11 -11.649 1.084 -0.101 78 1HD2 ASN 11 HD22 ASN 11 -11.019 2.744 2.965 79 2HD2 ASN 11 HD21 ASN 11 -12.109 1.801 2.069 80 H CYS 12 HN CYS 12 -8.160 0.180 -2.379 81 HA CYS 12 HA CYS 12 -8.436 -2.111 -0.481 82 1HB CYS 12 HB2 CYS 12 -8.905 -2.030 -3.345 83 2HB CYS 12 HB1 CYS 12 -7.625 -3.170 -2.934 84 H LYS 13 HN LYS 13 -6.532 -2.236 0.586 85 HA LYS 13 HA LYS 13 -4.100 -1.022 -0.219 86 1HB LYS 13 HB2 LYS 13 -4.421 -3.460 1.558 87 2HB LYS 13 HB1 LYS 13 -3.047 -2.355 1.533 88 1HG LYS 13 HG2 LYS 13 -4.493 -0.510 2.268 89 2HG LYS 13 HG1 LYS 13 -5.891 -1.588 2.254 90 1HD LYS 13 HD2 LYS 13 -3.417 -1.943 3.977 91 2HD LYS 13 HD1 LYS 13 -4.977 -1.340 4.541 92 1HE LYS 13 HE2 LYS 13 -5.672 -3.685 3.256 93 2HE LYS 13 HE1 LYS 13 -4.125 -4.098 3.995 94 1HZ LYS 13 HZ2 LYS 13 -6.326 -2.771 5.476 95 2HZ LYS 13 HZ1 LYS 13 -6.128 -4.458 5.425 96 3HZ LYS 13 HZ3 LYS 13 -4.923 -3.484 6.116 97 OH TYR 14 OH TYR 14 -3.558 1.737 -6.135 98 H TYR 14 HN TYR 14 -2.605 -1.624 -1.731 99 HA TYR 14 HA TYR 14 -2.975 -3.894 -3.431 100 1HB TYR 14 HB2 TYR 14 -0.394 -2.392 -2.878 101 2HB TYR 14 HB1 TYR 14 -0.741 -3.389 -4.291 102 HD1 TYR 14 HD1 TYR 14 -3.109 -2.747 -5.456 103 HD2 TYR 14 HD2 TYR 14 -0.632 -0.093 -3.160 104 HE1 TYR 14 HE1 TYR 14 -4.152 -0.799 -6.584 105 HE2 TYR 14 HE2 TYR 14 -1.673 1.853 -4.288 106 HH TYR 14 HH TYR 14 -3.439 2.504 -5.571 107 H GLU 15 HN GLU 15 -2.628 -6.003 -2.940 108 HA GLU 15 HA GLU 15 -1.668 -6.954 -0.472 109 1HB GLU 15 HB2 GLU 15 -1.549 -9.133 -1.524 110 2HB GLU 15 HB1 GLU 15 -2.959 -8.279 -2.151 111 1HG GLU 15 HG2 GLU 15 -2.138 -8.288 -4.253 112 2HG GLU 15 HG1 GLU 15 -0.566 -7.702 -3.710 113 H CYS 16 HN CYS 16 0.289 -8.716 -0.622 114 HA CYS 16 HA CYS 16 2.632 -7.695 -2.044 115 1HB CYS 16 HB2 CYS 16 3.913 -7.028 -0.152 116 2HB CYS 16 HB1 CYS 16 2.350 -6.236 0.036 117 H LEU 17 HN LEU 17 3.914 -9.424 -2.504 118 HA LEU 17 HA LEU 17 3.432 -11.939 -0.974 119 1HB LEU 17 HB2 LEU 17 4.912 -11.666 -3.600 120 2HB LEU 17 HB1 LEU 17 4.208 -13.123 -2.896 121 HG LEU 17 HG LEU 17 2.401 -10.798 -3.427 122 1HD1 LEU 17 HD12 LEU 17 4.052 -11.667 -5.449 123 2HD1 LEU 17 HD11 LEU 17 2.642 -12.704 -5.658 124 3HD1 LEU 17 HD13 LEU 17 2.459 -10.950 -5.689 125 1HD2 LEU 17 HD22 LEU 17 2.254 -13.712 -2.976 126 2HD2 LEU 17 HD21 LEU 17 1.070 -12.456 -2.613 127 3HD2 LEU 17 HD23 LEU 17 1.180 -13.118 -4.243 128 H LYS 18 HN LYS 18 6.136 -10.125 -2.471 129 HA LYS 18 HA LYS 18 7.853 -11.122 -0.235 130 1HB LYS 18 HB2 LYS 18 8.332 -11.087 -3.185 131 2HB LYS 18 HB1 LYS 18 9.702 -10.740 -2.129 132 1HG LYS 18 HG2 LYS 18 9.934 -12.975 -1.903 133 2HG LYS 18 HG1 LYS 18 8.472 -12.926 -0.918 134 1HD LYS 18 HD2 LYS 18 7.335 -14.071 -2.486 135 2HD LYS 18 HD1 LYS 18 7.740 -12.855 -3.699 136 1HE LYS 18 HE2 LYS 18 9.851 -13.953 -4.178 137 2HE LYS 18 HE1 LYS 18 9.599 -15.097 -2.859 138 1HZ LYS 18 HZ1 LYS 18 7.368 -15.468 -4.228 139 2HZ LYS 18 HZ3 LYS 18 8.388 -15.011 -5.503 140 3HZ LYS 18 HZ2 LYS 18 8.790 -16.346 -4.534 141 H ASP 19 HN ASP 19 9.900 -9.634 -0.102 142 HA ASP 19 HA ASP 19 8.987 -6.958 0.415 143 1HB ASP 19 HB2 ASP 19 10.942 -8.199 1.524 144 2HB ASP 19 HB1 ASP 19 11.877 -7.777 0.090 145 H ASP 20 HN ASP 20 10.537 -8.475 -2.346 146 HA ASP 20 HA ASP 20 11.396 -6.071 -3.652 147 1HB ASP 20 HB2 ASP 20 10.937 -7.702 -5.738 148 2HB ASP 20 HB1 ASP 20 12.362 -7.858 -4.723 149 OH TYR 21 OH TYR 21 0.954 -5.124 -5.610 150 H TYR 21 HN TYR 21 8.469 -8.087 -4.252 151 HA TYR 21 HA TYR 21 7.223 -6.426 -6.117 152 1HB TYR 21 HB2 TYR 21 6.108 -8.461 -5.546 153 2HB TYR 21 HB1 TYR 21 6.054 -8.036 -3.835 154 HD1 TYR 21 HD1 TYR 21 4.474 -6.356 -2.994 155 HD2 TYR 21 HD2 TYR 21 4.548 -7.471 -7.142 156 HE1 TYR 21 HE1 TYR 21 2.282 -5.251 -3.329 157 HE2 TYR 21 HE2 TYR 21 2.352 -6.368 -7.476 158 HH TYR 21 HH TYR 21 1.115 -4.195 -5.796 159 H CYS 22 HN CYS 22 7.524 -6.032 -2.639 160 HA CYS 22 HA CYS 22 5.768 -3.762 -2.420 161 1HB CYS 22 HB2 CYS 22 7.346 -5.366 -0.683 162 2HB CYS 22 HB1 CYS 22 7.795 -3.683 -0.437 163 H ASN 23 HN ASN 23 9.275 -4.073 -2.891 164 HA ASN 23 HA ASN 23 9.809 -1.243 -2.689 165 1HB ASN 23 HB2 ASN 23 11.527 -3.086 -2.569 166 2HB ASN 23 HB1 ASN 23 11.311 -3.359 -4.289 167 1HD2 ASN 23 HD22 ASN 23 14.137 -1.063 -4.257 168 2HD2 ASN 23 HD21 ASN 23 13.795 -2.714 -4.055 169 H ASP 24 HN ASP 24 9.773 -3.334 -5.571 170 HA ASP 24 HA ASP 24 9.755 -1.342 -7.541 171 1HB ASP 24 HB2 ASP 24 9.770 -3.822 -7.954 172 2HB ASP 24 HB1 ASP 24 8.044 -3.840 -7.626 173 H LEU 25 HN LEU 25 6.754 -2.992 -6.576 174 HA LEU 25 HA LEU 25 4.898 -1.231 -7.601 175 1HB LEU 25 HB2 LEU 25 4.216 -3.272 -6.432 176 2HB LEU 25 HB1 LEU 25 4.771 -2.603 -4.897 177 HG LEU 25 HG LEU 25 3.106 -0.615 -5.721 178 1HD1 LEU 25 HD11 LEU 25 2.323 -3.116 -7.116 179 2HD1 LEU 25 HD13 LEU 25 1.020 -2.226 -6.327 180 3HD1 LEU 25 HD12 LEU 25 2.010 -1.437 -7.555 181 1HD2 LEU 25 HD21 LEU 25 3.161 -1.853 -3.523 182 2HD2 LEU 25 HD23 LEU 25 1.532 -1.479 -4.089 183 3HD2 LEU 25 HD22 LEU 25 2.175 -3.111 -4.270 184 H CYS 26 HN CYS 26 6.644 -0.865 -4.515 185 HA CYS 26 HA CYS 26 5.339 1.419 -3.570 186 1HB CYS 26 HB2 CYS 26 7.961 0.086 -3.189 187 2HB CYS 26 HB1 CYS 26 7.871 1.737 -2.645 188 H LEU 27 HN LEU 27 8.175 1.155 -5.681 189 HA LEU 27 HA LEU 27 8.803 3.870 -5.918 190 1HB LEU 27 HB2 LEU 27 9.100 1.493 -7.718 191 2HB LEU 27 HB1 LEU 27 9.426 3.095 -8.378 192 HG LEU 27 HG LEU 27 10.720 3.100 -5.903 193 1HD1 LEU 27 HD12 LEU 27 10.282 0.440 -6.457 194 2HD1 LEU 27 HD11 LEU 27 11.869 0.706 -7.176 195 3HD1 LEU 27 HD13 LEU 27 11.607 1.053 -5.467 196 1HD2 LEU 27 HD21 LEU 27 11.453 4.064 -8.108 197 2HD2 LEU 27 HD23 LEU 27 12.738 3.210 -7.254 198 3HD2 LEU 27 HD22 LEU 27 11.916 2.438 -8.611 199 H GLU 28 HN GLU 28 6.363 1.934 -7.594 200 HA GLU 28 HA GLU 28 5.542 4.038 -9.354 201 1HB GLU 28 HB2 GLU 28 5.028 1.362 -9.220 202 2HB GLU 28 HB1 GLU 28 3.505 2.039 -8.638 203 1HG GLU 28 HG2 GLU 28 4.897 2.646 -11.258 204 2HG GLU 28 HG1 GLU 28 3.335 1.856 -11.035 205 NH1 ARG 29 NH2 ARG 29 -1.069 2.076 -6.914 206 NH2 ARG 29 NH1 ARG 29 0.109 1.007 -8.519 207 H ARG 29 HN ARG 29 4.710 3.143 -6.118 208 HA ARG 29 HA ARG 29 2.351 4.819 -5.984 209 1HB ARG 29 HB2 ARG 29 3.940 3.610 -3.709 210 2HB ARG 29 HB1 ARG 29 2.293 4.234 -3.625 211 1HG ARG 29 HG2 ARG 29 3.179 1.913 -5.360 212 2HG ARG 29 HG1 ARG 29 2.334 1.758 -3.822 213 1HD ARG 29 HD2 ARG 29 0.343 2.160 -4.799 214 2HD ARG 29 HD1 ARG 29 0.960 3.618 -5.572 215 HE ARG 29 HE ARG 29 2.028 1.532 -7.072 216 1HH1 ARG 29 HH21 ARG 29 -1.100 2.568 -6.043 217 2HH1 ARG 29 HH22 ARG 29 -1.912 1.920 -7.429 218 1HH2 ARG 29 HH11 ARG 29 0.982 0.680 -8.880 219 2HH2 ARG 29 HH12 ARG 29 -0.735 0.845 -9.030 220 H LYS 30 HN LYS 30 5.467 5.638 -6.311 221 HA LYS 30 HA LYS 30 6.483 7.759 -6.057 222 1HB LYS 30 HB2 LYS 30 3.994 8.538 -5.841 223 2HB LYS 30 HB1 LYS 30 4.343 8.586 -4.112 224 1HG LYS 30 HG2 LYS 30 6.348 9.852 -5.913 225 2HG LYS 30 HG1 LYS 30 4.807 10.689 -5.733 226 1HD LYS 30 HD2 LYS 30 5.342 10.055 -3.133 227 2HD LYS 30 HD1 LYS 30 6.975 10.287 -3.756 228 1HE LYS 30 HE2 LYS 30 4.683 12.262 -3.817 229 2HE LYS 30 HE1 LYS 30 6.233 12.433 -2.994 230 1HZ LYS 30 HZ2 LYS 30 7.290 12.287 -5.229 231 2HZ LYS 30 HZ1 LYS 30 5.740 12.399 -5.916 232 3HZ LYS 30 HZ3 LYS 30 6.348 13.680 -4.986 233 H ALA 31 HN ALA 31 6.451 5.332 -4.097 234 HA ALA 31 HA ALA 31 7.557 6.778 -1.738 235 1HB ALA 31 HB3 ALA 31 6.404 4.033 -2.116 236 2HB ALA 31 HB2 ALA 31 7.527 4.336 -0.791 237 3HB ALA 31 HB1 ALA 31 6.017 5.243 -0.892 238 H ASP 32 HN ASP 32 9.654 6.341 -1.050 239 HA ASP 32 HA ASP 32 11.556 5.658 -3.039 240 1HB ASP 32 HB2 ASP 32 11.646 7.018 -0.734 241 2HB ASP 32 HB1 ASP 32 12.266 5.484 -0.168 242 H LYS 33 HN LYS 33 10.224 3.898 -0.242 243 HA LYS 33 HA LYS 33 10.783 1.350 -1.586 244 1HB LYS 33 HB2 LYS 33 12.328 0.435 0.027 245 2HB LYS 33 HB1 LYS 33 12.995 1.962 -0.548 246 1HG LYS 33 HG2 LYS 33 11.238 2.036 1.871 247 2HG LYS 33 HG1 LYS 33 12.873 1.405 2.057 248 1HD LYS 33 HD2 LYS 33 12.735 3.860 0.460 249 2HD LYS 33 HD1 LYS 33 12.202 4.073 2.127 250 1HE LYS 33 HE2 LYS 33 14.277 3.410 3.005 251 2HE LYS 33 HE1 LYS 33 14.744 2.579 1.522 252 1HZ LYS 33 HZ2 LYS 33 14.245 5.282 0.949 253 2HZ LYS 33 HZ1 LYS 33 15.316 5.198 2.265 254 3HZ LYS 33 HZ3 LYS 33 15.703 4.422 0.807 255 H GLY 34 HN GLY 34 10.148 -0.549 -0.082 256 1HA GLY 34 HA2 GLY 34 8.488 0.008 2.214 257 2HA GLY 34 HA1 GLY 34 7.505 -0.283 0.788 258 OH TYR 35 OH TYR 35 6.724 -1.345 8.302 259 H TYR 35 HN TYR 35 7.533 -2.002 3.107 260 HA TYR 35 HA TYR 35 8.757 -4.430 1.858 261 1HB TYR 35 HB2 TYR 35 8.797 -5.384 4.202 262 2HB TYR 35 HB1 TYR 35 9.954 -4.111 3.871 263 HD1 TYR 35 HD1 TYR 35 6.424 -4.527 5.064 264 HD2 TYR 35 HD2 TYR 35 10.104 -2.342 5.411 265 HE1 TYR 35 HE1 TYR 35 5.477 -3.237 6.949 266 HE2 TYR 35 HE2 TYR 35 9.156 -1.050 7.297 267 HH TYR 35 HH TYR 35 6.378 -1.972 8.942 268 H CYS 36 HN CYS 36 7.651 -6.435 2.427 269 HA CYS 36 HA CYS 36 4.740 -6.076 2.151 270 1HB CYS 36 HB2 CYS 36 5.728 -7.585 0.622 271 2HB CYS 36 HB1 CYS 36 6.630 -8.405 1.884 272 OH TYR 37 OH TYR 37 1.779 -7.330 11.943 273 H TYR 37 HN TYR 37 3.562 -5.960 3.983 274 HA TYR 37 HA TYR 37 4.433 -7.535 6.363 275 1HB TYR 37 HB2 TYR 37 4.025 -5.091 6.690 276 2HB TYR 37 HB1 TYR 37 2.357 -5.323 6.167 277 HD1 TYR 37 HD1 TYR 37 4.845 -6.136 8.789 278 HD2 TYR 37 HD2 TYR 37 0.718 -6.348 7.616 279 HE1 TYR 37 HE1 TYR 37 4.226 -6.806 11.094 280 HE2 TYR 37 HE2 TYR 37 0.098 -7.020 9.924 281 HH TYR 37 HH TYR 37 2.481 -7.886 12.290 282 CH2 TRP 38 CH2 TRP 38 -0.149 -13.155 0.750 283 H TRP 38 HN TRP 38 3.618 -9.571 5.868 284 HA TRP 38 HA TRP 38 1.061 -10.018 4.654 285 1HB TRP 38 HB2 TRP 38 3.155 -11.696 5.926 286 2HB TRP 38 HB1 TRP 38 1.529 -12.376 5.886 287 HD1 TRP 38 HD1 TRP 38 4.505 -11.756 3.742 288 HE1 TRP 38 HE1 TRP 38 3.994 -12.434 1.306 289 HE3 TRP 38 HE3 TRP 38 -0.550 -12.393 4.050 290 HZ2 TRP 38 HZ2 TRP 38 1.733 -13.151 -0.299 291 HZ3 TRP 38 HZ3 TRP 38 -1.857 -13.071 2.058 292 HH2 TRP 38 HH2 TRP 38 -0.724 -13.451 -0.115 293 H GLY 39 HN GLY 39 1.357 -11.850 7.588 294 1HA GLY 39 HA2 GLY 39 -0.245 -12.059 9.310 295 2HA GLY 39 HA1 GLY 39 0.051 -10.328 9.509 296 H LYS 40 HN LYS 40 -1.291 -11.835 6.626 297 HA LYS 40 HA LYS 40 -3.335 -11.497 5.536 298 1HB LYS 40 HB2 LYS 40 -3.958 -12.179 8.176 299 2HB LYS 40 HB1 LYS 40 -4.902 -10.719 7.875 300 1HG LYS 40 HG2 LYS 40 -6.294 -11.796 6.453 301 2HG LYS 40 HG1 LYS 40 -4.950 -12.561 5.605 302 1HD LYS 40 HD2 LYS 40 -5.837 -13.501 8.335 303 2HD LYS 40 HD1 LYS 40 -6.575 -14.120 6.857 304 1HE LYS 40 HE2 LYS 40 -3.665 -14.104 6.687 305 2HE LYS 40 HE1 LYS 40 -4.237 -15.069 8.045 306 1HZ LYS 40 HZ2 LYS 40 -5.526 -15.349 5.418 307 2HZ LYS 40 HZ1 LYS 40 -4.047 -16.131 5.711 308 3HZ LYS 40 HZ3 LYS 40 -5.396 -16.482 6.678 309 H VAL 41 HN VAL 41 -1.675 -9.378 5.383 310 HA VAL 41 HA VAL 41 -3.520 -7.063 5.747 311 HB VAL 41 HB VAL 41 -0.536 -7.045 6.253 312 1HG1 VAL 41 HG12 VAL 41 -2.276 -4.968 5.509 313 2HG1 VAL 41 HG11 VAL 41 -2.067 -4.796 7.252 314 3HG1 VAL 41 HG13 VAL 41 -0.659 -4.797 6.192 315 1HG2 VAL 41 HG23 VAL 41 -2.743 -7.789 7.914 316 2HG2 VAL 41 HG22 VAL 41 -1.041 -7.658 8.358 317 3HG2 VAL 41 HG21 VAL 41 -2.101 -6.256 8.503 318 H SER 42 HN SER 42 -0.447 -6.153 4.570 319 HA SER 42 HA SER 42 -0.770 -6.887 1.800 320 1HB SER 42 HB2 SER 42 -2.290 -4.594 2.768 321 2HB SER 42 HB1 SER 42 -1.195 -4.169 1.457 322 HG SER 42 HG SER 42 -2.725 -6.508 1.264 323 H CYS 43 HN CYS 43 0.340 -4.709 0.559 324 HA CYS 43 HA CYS 43 3.117 -4.824 1.429 325 1HB CYS 43 HB2 CYS 43 1.673 -4.135 -0.950 326 2HB CYS 43 HB1 CYS 43 2.682 -2.761 -0.512 327 OH TYR 44 OH TYR 44 2.757 2.904 7.784 328 H TYR 44 HN TYR 44 4.372 -2.908 1.967 329 HA TYR 44 HA TYR 44 2.784 -0.608 3.003 330 1HB TYR 44 HB2 TYR 44 3.684 -2.336 4.760 331 2HB TYR 44 HB1 TYR 44 5.246 -1.585 4.432 332 HD1 TYR 44 HD2 TYR 44 1.712 -0.748 5.273 333 HD2 TYR 44 HD1 TYR 44 5.825 0.426 5.519 334 HE1 TYR 44 HE2 TYR 44 1.084 1.131 6.740 335 HE2 TYR 44 HE1 TYR 44 5.215 2.311 6.978 336 HH TYR 44 HH TYR 44 1.799 2.965 7.798 337 H CYS 45 HN CYS 45 3.566 1.294 2.167 338 HA CYS 45 HA CYS 45 6.301 1.199 0.980 339 1HB CYS 45 HB2 CYS 45 3.895 2.881 0.296 340 2HB CYS 45 HB1 CYS 45 5.503 3.252 -0.300 341 OH TYR 46 OH TYR 46 7.612 0.501 7.245 342 H TYR 46 HN TYR 46 7.293 3.387 0.844 343 HA TYR 46 HA TYR 46 6.845 5.130 3.202 344 1HB TYR 46 HB2 TYR 46 9.471 3.811 2.456 345 2HB TYR 46 HB1 TYR 46 9.321 5.120 3.626 346 HD1 TYR 46 HD1 TYR 46 8.146 1.663 2.876 347 HD2 TYR 46 HD2 TYR 46 8.757 4.660 5.860 348 HE1 TYR 46 HE1 TYR 46 7.634 0.007 4.643 349 HE2 TYR 46 HE2 TYR 46 8.239 3.026 7.634 350 HH TYR 46 HH TYR 46 7.756 0.927 8.094 351 H GLY 47 HN GLY 47 6.531 7.045 2.144 352 1HA GLY 47 HA2 GLY 47 7.916 8.861 0.996 353 2HA GLY 47 HA1 GLY 47 8.274 7.630 -0.215 354 H LEU 48 HN LEU 48 5.141 7.206 0.945 355 HA LEU 48 HA LEU 48 3.957 7.949 -1.575 356 1HB LEU 48 HB2 LEU 48 2.592 7.473 1.093 357 2HB LEU 48 HB1 LEU 48 1.825 7.431 -0.494 358 HG LEU 48 HG LEU 48 4.067 5.590 0.388 359 1HD1 LEU 48 HD12 LEU 48 1.327 5.536 1.061 360 2HD1 LEU 48 HD11 LEU 48 1.534 4.322 -0.202 361 3HD1 LEU 48 HD13 LEU 48 2.499 4.236 1.273 362 1HD2 LEU 48 HD21 LEU 48 2.427 5.900 -2.126 363 2HD2 LEU 48 HD23 LEU 48 4.178 5.756 -1.964 364 3HD2 LEU 48 HD22 LEU 48 3.150 4.346 -1.707 365 HA PRO 49 HA PRO 49 3.105 12.200 -1.075 366 1HB PRO 49 HB2 PRO 49 0.360 12.054 -1.910 367 2HB PRO 49 HB1 PRO 49 1.764 12.521 -2.882 368 1HG PRO 49 HG2 PRO 49 0.239 10.067 -3.035 369 2HG PRO 49 HG1 PRO 49 1.614 10.559 -4.033 370 1HD PRO 49 HD2 PRO 49 1.575 8.549 -1.975 371 2HD PRO 49 HD1 PRO 49 2.964 9.083 -2.943 372 H ASP 50 HN ASP 50 2.041 13.622 0.428 373 HA ASP 50 HA ASP 50 1.215 12.528 2.869 374 1HB ASP 50 HB2 ASP 50 1.324 15.174 1.634 375 2HB ASP 50 HB1 ASP 50 0.041 15.008 2.824 376 H ASN 51 HN ASN 51 -0.771 13.992 0.352 377 HA ASN 51 HA ASN 51 -3.248 13.284 1.586 378 1HB ASN 51 HB2 ASN 51 -4.169 13.983 -0.642 379 2HB ASN 51 HB1 ASN 51 -3.145 15.192 0.117 380 1HD2 ASN 51 HD22 ASN 51 -1.890 15.003 -3.333 381 2HD2 ASN 51 HD21 ASN 51 -3.239 15.624 -2.510 382 H SER 52 HN SER 52 -0.971 11.427 0.013 383 HA SER 52 HA SER 52 -2.233 9.745 -1.772 384 1HB SER 52 HB2 SER 52 0.076 9.375 -1.228 385 2HB SER 52 HB1 SER 52 -0.314 9.035 0.455 386 HG SER 52 HG SER 52 -1.577 7.506 -1.504 387 HA PRO 53 HA PRO 53 -5.690 8.372 0.764 388 1HB PRO 53 HB2 PRO 53 -6.628 6.781 -1.408 389 2HB PRO 53 HB1 PRO 53 -7.220 8.374 -0.915 390 1HG PRO 53 HG2 PRO 53 -5.631 7.692 -3.250 391 2HG PRO 53 HG1 PRO 53 -6.334 9.256 -2.821 392 1HD PRO 53 HD2 PRO 53 -3.569 8.496 -2.701 393 2HD PRO 53 HD1 PRO 53 -4.289 10.039 -2.200 394 H THR 54 HN THR 54 -5.020 6.818 2.226 395 HA THR 54 HA THR 54 -4.240 4.151 1.123 396 HB THR 54 HB THR 54 -2.803 3.884 3.107 397 HG1 THR 54 HG1 THR 54 -4.137 5.332 4.400 398 1HG2 THR 54 HG23 THR 54 -2.397 5.602 0.928 399 2HG2 THR 54 HG22 THR 54 -1.810 6.495 2.330 400 3HG2 THR 54 HG21 THR 54 -1.153 4.901 1.964 401 H LYS 55 HN LYS 55 -4.843 2.321 2.556 402 HA LYS 55 HA LYS 55 -7.503 2.158 3.229 403 1HB LYS 55 HB2 LYS 55 -6.196 0.160 3.271 404 2HB LYS 55 HB1 LYS 55 -5.123 0.805 4.512 405 1HG LYS 55 HG2 LYS 55 -6.740 -0.801 5.475 406 2HG LYS 55 HG1 LYS 55 -6.979 0.820 6.127 407 1HD LYS 55 HD2 LYS 55 -9.162 0.042 5.585 408 2HD LYS 55 HD1 LYS 55 -8.725 1.139 4.275 409 1HE LYS 55 HE2 LYS 55 -8.037 -0.771 2.887 410 2HE LYS 55 HE1 LYS 55 -8.440 -1.880 4.198 411 1HZ LYS 55 HZ2 LYS 55 -10.659 -0.283 3.838 412 2HZ LYS 55 HZ1 LYS 55 -10.148 -0.699 2.272 413 3HZ LYS 55 HZ3 LYS 55 -10.492 -1.917 3.402 414 H THR 56 HN THR 56 -8.719 3.365 4.594 415 HA THR 56 HA THR 56 -7.494 4.917 6.737 416 HB THR 56 HB THR 56 -10.352 4.514 5.848 417 HG1 THR 56 HG1 THR 56 -8.914 5.843 4.605 418 1HG2 THR 56 HG21 THR 56 -9.330 5.449 8.392 419 2HG2 THR 56 HG23 THR 56 -10.200 6.735 7.558 420 3HG2 THR 56 HG22 THR 56 -11.003 5.199 7.890 421 H SER 57 HN SER 57 -10.439 3.104 7.176 422 HA SER 57 HA SER 57 -9.289 1.130 8.921 423 1HB SER 57 HB2 SER 57 -10.445 1.971 11.000 424 2HB SER 57 HB1 SER 57 -9.099 2.977 10.472 425 HG SER 57 HG SER 57 -11.194 4.034 11.002 426 H GLY 58 HN GLY 58 -10.866 0.653 6.803 427 1HA GLY 58 HA2 GLY 58 -13.298 -0.444 8.058 428 2HA GLY 58 HA1 GLY 58 -13.572 0.705 6.748 429 H LYS 59 HN LYS 59 -14.525 -1.768 6.271 430 HA LYS 59 HA LYS 59 -12.613 -3.584 5.094 431 1HB LYS 59 HB2 LYS 59 -14.580 -4.725 4.173 432 2HB LYS 59 HB1 LYS 59 -14.879 -4.284 5.854 433 1HG LYS 59 HG2 LYS 59 -15.663 -2.064 4.262 434 2HG LYS 59 HG1 LYS 59 -16.359 -3.505 3.520 435 1HD LYS 59 HD2 LYS 59 -16.799 -3.985 6.189 436 2HD LYS 59 HD1 LYS 59 -16.989 -2.232 6.101 437 1HE LYS 59 HE2 LYS 59 -18.307 -3.301 3.832 438 2HE LYS 59 HE1 LYS 59 -18.803 -4.284 5.210 439 1HZ LYS 59 HZ2 LYS 59 -19.315 -2.222 6.408 440 2HZ LYS 59 HZ1 LYS 59 -18.933 -1.324 5.018 441 3HZ LYS 59 HZ3 LYS 59 -20.249 -2.394 4.999 442 H CYS 60 HN CYS 60 -12.579 -4.089 2.708 443 HA CYS 60 HA CYS 60 -12.527 -1.542 1.181 444 1HB CYS 60 HB2 CYS 60 -10.489 -2.875 1.085 445 2HB CYS 60 HB1 CYS 60 -11.401 -4.288 0.553 446 H ASN 61 HN ASN 61 -13.617 -1.319 -0.812 447 HA ASN 61 HA ASN 61 -15.700 -3.393 -1.357 448 1HB ASN 61 HB2 ASN 61 -16.735 -1.397 -0.378 449 2HB ASN 61 HB1 ASN 61 -15.948 -0.379 -1.582 450 1HD2 ASN 61 HD22 ASN 61 -19.440 -2.082 -2.504 451 2HD2 ASN 61 HD21 ASN 61 -18.824 -1.986 -0.925 452 HA PRO 62 HA PRO 62 -13.196 -3.352 -5.124 453 1HB PRO 62 HB2 PRO 62 -14.994 -5.368 -6.126 454 2HB PRO 62 HB1 PRO 62 -13.310 -5.557 -5.623 455 1HG PRO 62 HG2 PRO 62 -15.673 -6.428 -4.218 456 2HG PRO 62 HG1 PRO 62 -13.985 -6.614 -3.721 457 1HD PRO 62 HD2 PRO 62 -15.955 -4.861 -2.584 458 2HD PRO 62 HD1 PRO 62 -14.239 -4.989 -2.144 459 H ALA 63 HN ALA 63 -16.489 -4.296 -5.898 460 HA ALA 63 HA ALA 63 -16.678 -1.900 -7.666 461 1HB ALA 63 HB3 ALA 63 -16.923 -4.331 -8.557 462 2HB ALA 63 HB2 ALA 63 -18.513 -4.287 -7.793 463 3HB ALA 63 HB1 ALA 63 -18.115 -3.134 -9.067 Start of MODEL 10 Raw file had 463 H/Q atoms Start of MODEL 10 1 1H LYS 1 HT3 LYS 1 4.668 13.651 4.096 2 2H LYS 1 HT2 LYS 1 5.005 14.100 2.493 3 3H LYS 1 HT1 LYS 1 3.398 14.037 3.039 4 HA LYS 1 HA LYS 1 3.463 12.054 1.961 5 1HB LYS 1 HB2 LYS 1 5.558 10.686 1.855 6 2HB LYS 1 HB1 LYS 1 5.759 12.299 1.167 7 1HG LYS 1 HG2 LYS 1 6.317 12.519 3.941 8 2HG LYS 1 HG1 LYS 1 7.183 11.097 3.357 9 1HD LYS 1 HD2 LYS 1 7.360 13.927 2.294 10 2HD LYS 1 HD1 LYS 1 8.650 12.974 3.025 11 1HE LYS 1 HE2 LYS 1 7.412 12.706 0.300 12 2HE LYS 1 HE1 LYS 1 9.117 12.726 0.750 13 1HZ LYS 1 HZ2 LYS 1 8.411 10.572 2.038 14 2HZ LYS 1 HZ1 LYS 1 7.188 10.527 0.860 15 3HZ LYS 1 HZ3 LYS 1 8.817 10.513 0.389 16 H LYS 2 HN LYS 2 3.661 9.675 2.809 17 HA LYS 2 HA LYS 2 4.093 9.370 5.664 18 1HB LYS 2 HB2 LYS 2 1.869 9.020 6.395 19 2HB LYS 2 HB1 LYS 2 1.818 10.511 5.457 20 1HG LYS 2 HG2 LYS 2 1.424 8.317 3.661 21 2HG LYS 2 HG1 LYS 2 0.327 8.120 5.028 22 1HD LYS 2 HD2 LYS 2 -0.436 10.445 4.741 23 2HD LYS 2 HD1 LYS 2 0.644 10.623 3.357 24 1HE LYS 2 HE2 LYS 2 -1.068 9.866 2.080 25 2HE LYS 2 HE1 LYS 2 -0.765 8.285 2.798 26 1HZ LYS 2 HZ2 LYS 2 -2.526 10.324 4.037 27 2HZ LYS 2 HZ1 LYS 2 -3.096 9.105 2.997 28 3HZ LYS 2 HZ3 LYS 2 -2.366 8.689 4.472 29 H ASP 3 HN ASP 3 4.033 7.157 6.315 30 HA ASP 3 HA ASP 3 4.235 5.236 4.071 31 1HB ASP 3 HB2 ASP 3 4.485 4.455 6.948 32 2HB ASP 3 HB1 ASP 3 5.417 3.896 5.558 33 H GLY 4 HN GLY 4 2.729 3.429 3.916 34 1HA GLY 4 HA2 GLY 4 0.806 2.785 5.908 35 2HA GLY 4 HA1 GLY 4 0.082 3.989 4.850 36 OH TYR 5 OH TYR 5 -0.038 -3.096 7.765 37 H TYR 5 HN TYR 5 -1.446 2.334 4.314 38 HA TYR 5 HA TYR 5 -0.428 0.155 2.560 39 1HB TYR 5 HB2 TYR 5 -3.083 0.599 3.955 40 2HB TYR 5 HB1 TYR 5 -2.785 -0.727 2.849 41 HD1 TYR 5 HD2 TYR 5 -0.799 -2.299 3.349 42 HD2 TYR 5 HD1 TYR 5 -2.482 0.416 6.213 43 HE1 TYR 5 HE2 TYR 5 0.191 -3.629 5.188 44 HE2 TYR 5 HE1 TYR 5 -1.493 -0.913 8.055 45 HH TYR 5 HH TYR 5 -0.149 -2.600 8.580 46 HA PRO 6 HA PRO 6 -1.759 3.176 -0.616 47 1HB PRO 6 HB2 PRO 6 -0.543 1.431 -2.551 48 2HB PRO 6 HB1 PRO 6 0.036 3.001 -1.978 49 1HG PRO 6 HG2 PRO 6 1.115 0.396 -1.366 50 2HG PRO 6 HG1 PRO 6 1.694 1.970 -0.810 51 1HD PRO 6 HD2 PRO 6 0.322 -0.036 0.729 52 2HD PRO 6 HD1 PRO 6 0.882 1.558 1.267 53 H VAL 7 HN VAL 7 -3.979 2.846 -0.843 54 HA VAL 7 HA VAL 7 -4.869 0.334 -2.213 55 HB VAL 7 HB VAL 7 -7.081 0.770 -1.305 56 1HG1 VAL 7 HG13 VAL 7 -4.722 0.832 0.543 57 2HG1 VAL 7 HG12 VAL 7 -6.338 0.997 1.229 58 3HG1 VAL 7 HG11 VAL 7 -5.918 -0.442 0.300 59 1HG2 VAL 7 HG21 VAL 7 -5.805 3.386 -0.551 60 2HG2 VAL 7 HG23 VAL 7 -7.367 3.096 -1.316 61 3HG2 VAL 7 HG22 VAL 7 -7.150 2.766 0.404 62 H ASP 8 HN ASP 8 -6.309 0.561 -4.038 63 HA ASP 8 HA ASP 8 -5.729 2.900 -5.655 64 1HB ASP 8 HB2 ASP 8 -7.004 1.818 -7.383 65 2HB ASP 8 HB1 ASP 8 -6.085 0.563 -6.554 66 H SER 9 HN SER 9 -8.271 3.246 -6.941 67 HA SER 9 HA SER 9 -9.419 5.211 -5.145 68 1HB SER 9 HB2 SER 9 -10.467 6.005 -7.011 69 2HB SER 9 HB1 SER 9 -9.333 4.951 -7.852 70 HG SER 9 HG SER 9 -11.423 4.501 -8.540 71 H GLY 10 HN GLY 10 -9.761 1.934 -5.116 72 1HA GLY 10 HA2 GLY 10 -12.631 2.101 -4.294 73 2HA GLY 10 HA1 GLY 10 -11.860 0.627 -4.882 74 H ASN 11 HN ASN 11 -9.581 2.075 -3.010 75 HA ASN 11 HA ASN 11 -8.939 1.874 -0.766 76 1HB ASN 11 HB2 ASN 11 -11.742 1.828 -0.581 77 2HB ASN 11 HB1 ASN 11 -11.201 0.392 0.292 78 1HD2 ASN 11 HD22 ASN 11 -11.103 3.538 2.469 79 2HD2 ASN 11 HD21 ASN 11 -12.301 2.959 1.414 80 H CYS 12 HN CYS 12 -8.753 -0.070 -2.932 81 HA CYS 12 HA CYS 12 -8.531 -2.627 -1.439 82 1HB CYS 12 HB2 CYS 12 -8.235 -2.088 -4.411 83 2HB CYS 12 HB1 CYS 12 -8.345 -3.658 -3.629 84 H LYS 13 HN LYS 13 -6.548 -2.766 -0.475 85 HA LYS 13 HA LYS 13 -4.279 -1.271 -1.512 86 1HB LYS 13 HB2 LYS 13 -4.978 -2.292 0.961 87 2HB LYS 13 HB1 LYS 13 -3.632 -3.319 0.455 88 1HG LYS 13 HG2 LYS 13 -2.980 -0.673 -0.294 89 2HG LYS 13 HG1 LYS 13 -3.559 -0.598 1.358 90 1HD LYS 13 HD2 LYS 13 -1.145 -1.022 1.335 91 2HD LYS 13 HD1 LYS 13 -1.994 -2.438 1.954 92 1HE LYS 13 HE2 LYS 13 -0.472 -3.336 0.405 93 2HE LYS 13 HE1 LYS 13 -1.980 -3.265 -0.499 94 1HZ LYS 13 HZ3 LYS 13 -1.232 -1.100 -1.375 95 2HZ LYS 13 HZ2 LYS 13 0.262 -1.324 -0.605 96 3HZ LYS 13 HZ1 LYS 13 -0.230 -2.384 -1.835 97 OH TYR 14 OH TYR 14 -3.124 1.575 -6.274 98 H TYR 14 HN TYR 14 -2.452 -2.041 -2.509 99 HA TYR 14 HA TYR 14 -2.744 -4.433 -4.107 100 1HB TYR 14 HB2 TYR 14 -0.125 -3.034 -3.555 101 2HB TYR 14 HB1 TYR 14 -0.628 -3.882 -5.017 102 HD1 TYR 14 HD1 TYR 14 -2.523 -2.940 -6.399 103 HD2 TYR 14 HD2 TYR 14 -0.640 -0.734 -3.234 104 HE1 TYR 14 HE1 TYR 14 -3.473 -0.841 -7.300 105 HE2 TYR 14 HE2 TYR 14 -1.587 1.367 -4.134 106 HH TYR 14 HH TYR 14 -3.973 1.718 -5.850 107 H GLU 15 HN GLU 15 -2.274 -6.485 -3.540 108 HA GLU 15 HA GLU 15 -1.170 -7.017 -0.872 109 1HB GLU 15 HB2 GLU 15 -1.725 -9.156 -2.896 110 2HB GLU 15 HB1 GLU 15 -1.932 -9.197 -1.145 111 1HG GLU 15 HG2 GLU 15 -3.604 -7.116 -2.066 112 2HG GLU 15 HG1 GLU 15 -3.856 -8.466 -3.174 113 H CYS 16 HN CYS 16 0.465 -9.052 -0.887 114 HA CYS 16 HA CYS 16 2.387 -8.984 -3.096 115 1HB CYS 16 HB2 CYS 16 4.252 -8.305 -1.426 116 2HB CYS 16 HB1 CYS 16 3.230 -7.039 -2.100 117 H LEU 17 HN LEU 17 4.430 -10.267 -2.398 118 HA LEU 17 HA LEU 17 3.813 -12.347 -0.367 119 1HB LEU 17 HB2 LEU 17 4.925 -13.220 -3.012 120 2HB LEU 17 HB1 LEU 17 4.000 -14.146 -1.831 121 HG LEU 17 HG LEU 17 2.843 -11.874 -3.467 122 1HD1 LEU 17 HD12 LEU 17 3.027 -14.835 -3.960 123 2HD1 LEU 17 HD11 LEU 17 1.628 -13.935 -4.544 124 3HD1 LEU 17 HD13 LEU 17 3.246 -13.505 -5.096 125 1HD2 LEU 17 HD22 LEU 17 1.952 -13.148 -1.135 126 2HD2 LEU 17 HD21 LEU 17 0.976 -12.164 -2.225 127 3HD2 LEU 17 HD23 LEU 17 1.037 -13.914 -2.433 128 H LYS 18 HN LYS 18 5.879 -10.049 -1.305 129 HA LYS 18 HA LYS 18 8.154 -11.305 0.039 130 1HB LYS 18 HB2 LYS 18 7.991 -11.397 -2.820 131 2HB LYS 18 HB1 LYS 18 9.277 -10.273 -2.376 132 1HG LYS 18 HG2 LYS 18 10.620 -11.980 -1.790 133 2HG LYS 18 HG1 LYS 18 9.405 -12.583 -0.662 134 1HD LYS 18 HD2 LYS 18 8.338 -13.302 -3.098 135 2HD LYS 18 HD1 LYS 18 10.068 -13.514 -3.371 136 1HE LYS 18 HE2 LYS 18 9.501 -14.547 -0.785 137 2HE LYS 18 HE1 LYS 18 8.280 -15.195 -1.880 138 1HZ LYS 18 HZ1 LYS 18 11.180 -15.219 -2.489 139 2HZ LYS 18 HZ3 LYS 18 10.386 -16.508 -1.726 140 3HZ LYS 18 HZ2 LYS 18 9.941 -16.052 -3.300 141 H ASP 19 HN ASP 19 10.117 -9.587 -0.202 142 HA ASP 19 HA ASP 19 8.932 -7.010 0.628 143 1HB ASP 19 HB2 ASP 19 11.115 -8.487 1.510 144 2HB ASP 19 HB1 ASP 19 11.849 -7.156 0.617 145 H ASP 20 HN ASP 20 10.461 -8.353 -2.159 146 HA ASP 20 HA ASP 20 11.415 -5.759 -3.157 147 1HB ASP 20 HB2 ASP 20 11.303 -7.601 -5.305 148 2HB ASP 20 HB1 ASP 20 12.721 -7.096 -4.401 149 OH TYR 21 OH TYR 21 1.109 -5.893 -6.104 150 H TYR 21 HN TYR 21 8.597 -7.844 -3.563 151 HA TYR 21 HA TYR 21 7.508 -6.500 -5.852 152 1HB TYR 21 HB2 TYR 21 6.555 -8.610 -5.262 153 2HB TYR 21 HB1 TYR 21 6.260 -8.096 -3.604 154 HD1 TYR 21 HD2 TYR 21 4.598 -6.205 -3.189 155 HD2 TYR 21 HD1 TYR 21 4.918 -8.247 -6.954 156 HE1 TYR 21 HE2 TYR 21 2.348 -5.382 -3.826 157 HE2 TYR 21 HE1 TYR 21 2.665 -7.421 -7.588 158 HH TYR 21 HH TYR 21 0.501 -6.107 -5.392 159 H CYS 22 HN CYS 22 7.332 -5.917 -2.372 160 HA CYS 22 HA CYS 22 5.382 -3.776 -2.588 161 1HB CYS 22 HB2 CYS 22 7.250 -4.690 -0.402 162 2HB CYS 22 HB1 CYS 22 6.210 -3.281 -0.217 163 H ASN 23 HN ASN 23 8.909 -3.879 -2.137 164 HA ASN 23 HA ASN 23 9.346 -1.094 -1.897 165 1HB ASN 23 HB2 ASN 23 11.017 -3.043 -1.680 166 2HB ASN 23 HB1 ASN 23 11.163 -2.976 -3.429 167 1HD2 ASN 23 HD22 ASN 23 13.768 -0.624 -2.707 168 2HD2 ASN 23 HD21 ASN 23 13.451 -2.237 -3.133 169 H ASP 24 HN ASP 24 9.468 -3.131 -4.794 170 HA ASP 24 HA ASP 24 9.833 -1.037 -6.694 171 1HB ASP 24 HB2 ASP 24 9.971 -3.535 -7.134 172 2HB ASP 24 HB1 ASP 24 8.213 -3.555 -7.159 173 H LEU 25 HN LEU 25 6.769 -2.795 -6.274 174 HA LEU 25 HA LEU 25 5.056 -0.995 -7.504 175 1HB LEU 25 HB2 LEU 25 4.156 -3.081 -6.783 176 2HB LEU 25 HB1 LEU 25 4.662 -2.813 -5.119 177 HG LEU 25 HG LEU 25 2.980 -0.651 -5.629 178 1HD1 LEU 25 HD13 LEU 25 2.105 -3.103 -7.131 179 2HD1 LEU 25 HD12 LEU 25 0.901 -2.040 -6.401 180 3HD1 LEU 25 HD11 LEU 25 2.012 -1.411 -7.619 181 1HD2 LEU 25 HD22 LEU 25 3.193 -2.272 -3.634 182 2HD2 LEU 25 HD21 LEU 25 1.577 -1.672 -4.000 183 3HD2 LEU 25 HD23 LEU 25 2.049 -3.296 -4.499 184 H CYS 26 HN CYS 26 6.656 -0.659 -4.438 185 HA CYS 26 HA CYS 26 4.995 1.419 -3.380 186 1HB CYS 26 HB2 CYS 26 7.581 0.121 -2.708 187 2HB CYS 26 HB1 CYS 26 7.313 1.711 -2.040 188 H LEU 27 HN LEU 27 8.094 1.359 -5.098 189 HA LEU 27 HA LEU 27 8.538 4.164 -5.039 190 1HB LEU 27 HB2 LEU 27 9.591 1.870 -6.658 191 2HB LEU 27 HB1 LEU 27 9.966 3.521 -7.158 192 HG LEU 27 HG LEU 27 10.322 3.255 -4.307 193 1HD1 LEU 27 HD12 LEU 27 11.082 0.941 -5.866 194 2HD1 LEU 27 HD11 LEU 27 12.517 1.724 -5.204 195 3HD1 LEU 27 HD13 LEU 27 11.224 1.200 -4.127 196 1HD2 LEU 27 HD23 LEU 27 11.336 4.803 -6.221 197 2HD2 LEU 27 HD22 LEU 27 12.259 4.446 -4.761 198 3HD2 LEU 27 HD21 LEU 27 12.582 3.555 -6.248 199 H GLU 28 HN GLU 28 6.789 2.035 -7.247 200 HA GLU 28 HA GLU 28 6.382 3.910 -9.331 201 1HB GLU 28 HB2 GLU 28 5.825 1.320 -9.145 202 2HB GLU 28 HB1 GLU 28 4.241 1.941 -8.679 203 1HG GLU 28 HG2 GLU 28 5.195 3.430 -10.945 204 2HG GLU 28 HG1 GLU 28 5.302 1.706 -11.305 205 NH1 ARG 29 NH2 ARG 29 -1.455 3.332 -7.168 206 NH2 ARG 29 NH1 ARG 29 -1.052 2.104 -9.021 207 H ARG 29 HN ARG 29 4.469 3.130 -6.486 208 HA ARG 29 HA ARG 29 2.481 5.158 -7.044 209 1HB ARG 29 HB2 ARG 29 2.860 3.032 -5.097 210 2HB ARG 29 HB1 ARG 29 2.273 4.514 -4.340 211 1HG ARG 29 HG2 ARG 29 0.219 4.203 -5.204 212 2HG ARG 29 HG1 ARG 29 0.885 4.076 -6.833 213 1HD ARG 29 HD2 ARG 29 1.589 1.670 -5.600 214 2HD ARG 29 HD1 ARG 29 -0.059 1.969 -5.055 215 HE ARG 29 HE ARG 29 0.650 1.027 -7.625 216 1HH1 ARG 29 HH21 ARG 29 -1.272 3.542 -6.209 217 2HH1 ARG 29 HH22 ARG 29 -2.175 3.825 -7.656 218 1HH2 ARG 29 HH11 ARG 29 -0.549 1.376 -9.486 219 2HH2 ARG 29 HH12 ARG 29 -1.784 2.589 -9.498 220 H LYS 30 HN LYS 30 5.589 5.496 -6.224 221 HA LYS 30 HA LYS 30 6.707 7.475 -5.580 222 1HB LYS 30 HB2 LYS 30 4.394 8.597 -5.952 223 2HB LYS 30 HB1 LYS 30 4.216 8.454 -4.203 224 1HG LYS 30 HG2 LYS 30 6.685 9.672 -5.445 225 2HG LYS 30 HG1 LYS 30 5.253 10.641 -5.099 226 1HD LYS 30 HD2 LYS 30 5.366 9.785 -2.716 227 2HD LYS 30 HD1 LYS 30 6.932 9.079 -3.116 228 1HE LYS 30 HE2 LYS 30 7.168 11.666 -4.070 229 2HE LYS 30 HE1 LYS 30 6.231 11.877 -2.590 230 1HZ LYS 30 HZ2 LYS 30 8.149 10.073 -1.904 231 2HZ LYS 30 HZ1 LYS 30 8.980 11.154 -2.917 232 3HZ LYS 30 HZ3 LYS 30 8.173 11.733 -1.542 233 H ALA 31 HN ALA 31 7.448 5.488 -4.182 234 HA ALA 31 HA ALA 31 7.165 6.358 -1.348 235 1HB ALA 31 HB1 ALA 31 7.005 3.520 -2.359 236 2HB ALA 31 HB3 ALA 31 7.198 3.959 -0.664 237 3HB ALA 31 HB2 ALA 31 5.735 4.421 -1.533 238 H ASP 32 HN ASP 32 9.048 6.292 -0.221 239 HA ASP 32 HA ASP 32 11.525 6.049 -1.646 240 1HB ASP 32 HB2 ASP 32 10.870 7.451 0.488 241 2HB ASP 32 HB1 ASP 32 11.360 5.995 1.339 242 H LYS 33 HN LYS 33 10.038 4.200 1.009 243 HA LYS 33 HA LYS 33 11.322 1.749 -0.071 244 1HB LYS 33 HB2 LYS 33 12.588 1.252 1.780 245 2HB LYS 33 HB1 LYS 33 12.608 3.005 1.944 246 1HG LYS 33 HG2 LYS 33 10.338 2.520 3.278 247 2HG LYS 33 HG1 LYS 33 11.120 0.965 3.540 248 1HD LYS 33 HD2 LYS 33 12.291 3.684 4.190 249 2HD LYS 33 HD1 LYS 33 11.697 2.501 5.355 250 1HE LYS 33 HE2 LYS 33 13.418 0.929 4.029 251 2HE LYS 33 HE1 LYS 33 14.207 2.483 3.753 252 1HZ LYS 33 HZ2 LYS 33 13.279 1.791 6.453 253 2HZ LYS 33 HZ1 LYS 33 14.730 1.119 5.878 254 3HZ LYS 33 HZ3 LYS 33 14.560 2.803 5.981 255 H GLY 34 HN GLY 34 10.175 -0.193 0.549 256 1HA GLY 34 HA2 GLY 34 7.888 -0.022 2.341 257 2HA GLY 34 HA1 GLY 34 7.416 -0.067 0.647 258 OH TYR 35 OH TYR 35 6.006 -2.009 8.133 259 H TYR 35 HN TYR 35 7.516 -2.034 3.132 260 HA TYR 35 HA TYR 35 8.658 -4.336 1.602 261 1HB TYR 35 HB2 TYR 35 8.627 -5.508 3.836 262 2HB TYR 35 HB1 TYR 35 9.732 -4.144 3.750 263 HD1 TYR 35 HD1 TYR 35 6.229 -5.025 4.727 264 HD2 TYR 35 HD2 TYR 35 9.578 -2.403 5.330 265 HE1 TYR 35 HE1 TYR 35 5.059 -3.973 6.642 266 HE2 TYR 35 HE2 TYR 35 8.408 -1.351 7.243 267 HH TYR 35 HH TYR 35 5.777 -2.701 8.758 268 H CYS 36 HN CYS 36 7.380 -6.419 2.763 269 HA CYS 36 HA CYS 36 4.535 -5.904 2.038 270 1HB CYS 36 HB2 CYS 36 5.752 -7.478 0.622 271 2HB CYS 36 HB1 CYS 36 6.123 -8.475 2.022 272 OH TYR 37 OH TYR 37 3.310 -5.296 12.026 273 H TYR 37 HN TYR 37 3.618 -5.389 3.990 274 HA TYR 37 HA TYR 37 4.212 -6.845 6.426 275 1HB TYR 37 HB2 TYR 37 3.123 -4.429 5.959 276 2HB TYR 37 HB1 TYR 37 1.639 -5.363 6.120 277 HD1 TYR 37 HD2 TYR 37 1.925 -7.248 8.142 278 HD2 TYR 37 HD1 TYR 37 3.807 -3.392 7.916 279 HE1 TYR 37 HE2 TYR 37 2.198 -7.234 10.609 280 HE2 TYR 37 HE1 TYR 37 4.080 -3.378 10.380 281 HH TYR 37 HH TYR 37 2.875 -6.076 12.379 282 CH2 TRP 38 CH2 TRP 38 2.375 -15.124 1.927 283 H TRP 38 HN TRP 38 3.784 -9.042 6.195 284 HA TRP 38 HA TRP 38 1.492 -10.064 4.782 285 1HB TRP 38 HB2 TRP 38 3.657 -11.211 6.474 286 2HB TRP 38 HB1 TRP 38 2.181 -12.163 6.323 287 HD1 TRP 38 HD1 TRP 38 4.566 -10.255 3.936 288 HE1 TRP 38 HE1 TRP 38 4.790 -11.645 1.775 289 HE3 TRP 38 HE3 TRP 38 1.400 -14.106 5.033 290 HZ2 TRP 38 HZ2 TRP 38 3.759 -14.067 0.659 291 HZ3 TRP 38 HZ3 TRP 38 1.038 -15.940 3.407 292 HH2 TRP 38 HH2 TRP 38 2.213 -15.927 1.223 293 H GLY 39 HN GLY 39 1.707 -11.527 7.904 294 1HA GLY 39 HA2 GLY 39 -0.056 -11.844 9.443 295 2HA GLY 39 HA1 GLY 39 0.080 -10.090 9.588 296 H LYS 40 HN LYS 40 -1.012 -12.009 6.792 297 HA LYS 40 HA LYS 40 -2.990 -11.812 5.536 298 1HB LYS 40 HB2 LYS 40 -4.276 -11.215 8.220 299 2HB LYS 40 HB1 LYS 40 -5.045 -11.916 6.795 300 1HG LYS 40 HG2 LYS 40 -2.670 -13.396 7.698 301 2HG LYS 40 HG1 LYS 40 -3.980 -13.371 8.879 302 1HD LYS 40 HD2 LYS 40 -5.408 -13.874 6.641 303 2HD LYS 40 HD1 LYS 40 -3.880 -14.633 6.190 304 1HE LYS 40 HE2 LYS 40 -4.227 -15.461 8.808 305 2HE LYS 40 HE1 LYS 40 -5.870 -15.484 8.170 306 1HZ LYS 40 HZ3 LYS 40 -3.517 -16.791 6.915 307 2HZ LYS 40 HZ2 LYS 40 -4.736 -17.586 7.791 308 3HZ LYS 40 HZ1 LYS 40 -5.104 -16.825 6.318 309 H VAL 41 HN VAL 41 -1.518 -9.599 5.309 310 HA VAL 41 HA VAL 41 -3.526 -7.406 5.489 311 HB VAL 41 HB VAL 41 -0.569 -7.104 6.078 312 1HG1 VAL 41 HG12 VAL 41 -2.217 -5.192 5.140 313 2HG1 VAL 41 HG11 VAL 41 -2.607 -5.082 6.856 314 3HG1 VAL 41 HG13 VAL 41 -0.945 -4.853 6.314 315 1HG2 VAL 41 HG21 VAL 41 -2.646 -8.115 7.721 316 2HG2 VAL 41 HG23 VAL 41 -1.014 -7.664 8.210 317 3HG2 VAL 41 HG22 VAL 41 -2.314 -6.475 8.277 318 H SER 42 HN SER 42 -0.551 -6.246 4.394 319 HA SER 42 HA SER 42 -0.613 -7.197 1.659 320 1HB SER 42 HB2 SER 42 -1.545 -4.351 1.954 321 2HB SER 42 HB1 SER 42 -1.631 -5.397 0.541 322 HG SER 42 HG SER 42 -3.412 -5.053 2.525 323 H CYS 43 HN CYS 43 0.342 -4.887 0.414 324 HA CYS 43 HA CYS 43 3.088 -4.861 1.257 325 1HB CYS 43 HB2 CYS 43 1.444 -3.438 -0.776 326 2HB CYS 43 HB1 CYS 43 2.919 -2.625 -0.268 327 OH TYR 44 OH TYR 44 2.366 2.068 8.436 328 H TYR 44 HN TYR 44 4.192 -2.662 1.641 329 HA TYR 44 HA TYR 44 2.584 -0.726 3.178 330 1HB TYR 44 HB2 TYR 44 3.421 -2.682 4.708 331 2HB TYR 44 HB1 TYR 44 4.990 -1.899 4.557 332 HD1 TYR 44 HD2 TYR 44 1.525 -1.508 5.745 333 HD2 TYR 44 HD1 TYR 44 5.417 0.268 5.578 334 HE1 TYR 44 HE2 TYR 44 0.835 0.143 7.447 335 HE2 TYR 44 HE1 TYR 44 4.745 1.924 7.288 336 HH TYR 44 HH TYR 44 1.713 1.657 9.008 337 H CYS 45 HN CYS 45 3.242 1.042 1.994 338 HA CYS 45 HA CYS 45 6.083 1.241 1.184 339 1HB CYS 45 HB2 CYS 45 3.760 3.090 0.603 340 2HB CYS 45 HB1 CYS 45 5.370 3.229 -0.083 341 OH TYR 46 OH TYR 46 7.163 0.230 7.819 342 H TYR 46 HN TYR 46 7.056 3.453 1.369 343 HA TYR 46 HA TYR 46 6.334 4.917 3.857 344 1HB TYR 46 HB2 TYR 46 9.044 3.765 3.176 345 2HB TYR 46 HB1 TYR 46 8.822 5.025 4.377 346 HD1 TYR 46 HD1 TYR 46 8.014 1.493 3.526 347 HD2 TYR 46 HD2 TYR 46 7.976 4.525 6.560 348 HE1 TYR 46 HE1 TYR 46 7.508 -0.223 5.238 349 HE2 TYR 46 HE2 TYR 46 7.459 2.815 8.272 350 HH TYR 46 HH TYR 46 6.246 0.340 8.082 351 H GLY 47 HN GLY 47 5.723 6.725 2.569 352 1HA GLY 47 HA2 GLY 47 7.043 8.862 1.926 353 2HA GLY 47 HA1 GLY 47 7.832 7.815 0.750 354 H LEU 48 HN LEU 48 4.432 7.437 1.508 355 HA LEU 48 HA LEU 48 3.732 7.899 -1.298 356 1HB LEU 48 HB2 LEU 48 1.984 7.330 1.118 357 2HB LEU 48 HB1 LEU 48 1.469 7.243 -0.563 358 HG LEU 48 HG LEU 48 3.824 5.640 0.412 359 1HD1 LEU 48 HD12 LEU 48 1.079 5.353 1.226 360 2HD1 LEU 48 HD11 LEU 48 1.533 3.984 0.213 361 3HD1 LEU 48 HD13 LEU 48 2.466 4.356 1.663 362 1HD2 LEU 48 HD21 LEU 48 2.004 5.722 -1.964 363 2HD2 LEU 48 HD23 LEU 48 3.750 5.492 -1.901 364 3HD2 LEU 48 HD22 LEU 48 2.671 4.162 -1.481 365 HA PRO 49 HA PRO 49 2.434 12.062 -1.229 366 1HB PRO 49 HB2 PRO 49 -0.333 11.447 -1.973 367 2HB PRO 49 HB1 PRO 49 0.922 12.268 -2.915 368 1HG PRO 49 HG2 PRO 49 -0.015 9.647 -3.371 369 2HG PRO 49 HG1 PRO 49 1.459 10.352 -4.048 370 1HD PRO 49 HD2 PRO 49 1.203 8.311 -1.972 371 2HD PRO 49 HD1 PRO 49 2.667 8.847 -2.819 372 H ASP 50 HN ASP 50 1.190 13.561 0.060 373 HA ASP 50 HA ASP 50 0.604 12.759 2.666 374 1HB ASP 50 HB2 ASP 50 0.404 15.175 1.110 375 2HB ASP 50 HB1 ASP 50 -0.966 15.010 2.200 376 H ASN 51 HN ASN 51 -1.840 13.857 0.368 377 HA ASN 51 HA ASN 51 -3.904 12.562 1.883 378 1HB ASN 51 HB2 ASN 51 -5.351 13.853 0.685 379 2HB ASN 51 HB1 ASN 51 -3.903 14.787 0.414 380 1HD2 ASN 51 HD22 ASN 51 -5.620 14.132 -2.853 381 2HD2 ASN 51 HD21 ASN 51 -6.104 14.820 -1.377 382 H SER 52 HN SER 52 -1.707 11.127 0.098 383 HA SER 52 HA SER 52 -2.916 9.689 -1.963 384 1HB SER 52 HB2 SER 52 -0.613 9.287 -1.607 385 2HB SER 52 HB1 SER 52 -0.858 8.872 0.086 386 HG SER 52 HG SER 52 -1.556 6.925 -0.480 387 HA PRO 53 HA PRO 53 -6.279 7.744 0.231 388 1HB PRO 53 HB2 PRO 53 -6.720 6.017 -2.023 389 2HB PRO 53 HB1 PRO 53 -7.652 7.443 -1.543 390 1HG PRO 53 HG2 PRO 53 -5.847 7.188 -3.778 391 2HG PRO 53 HG1 PRO 53 -6.779 8.611 -3.294 392 1HD PRO 53 HD2 PRO 53 -3.938 8.188 -3.044 393 2HD PRO 53 HD1 PRO 53 -4.874 9.616 -2.561 394 H THR 54 HN THR 54 -5.650 6.298 1.792 395 HA THR 54 HA THR 54 -4.431 3.723 0.882 396 HB THR 54 HB THR 54 -3.094 3.660 2.901 397 HG1 THR 54 HG1 THR 54 -4.936 5.394 3.754 398 1HG2 THR 54 HG22 THR 54 -2.557 5.263 0.850 399 2HG2 THR 54 HG21 THR 54 -2.731 6.510 2.085 400 3HG2 THR 54 HG23 THR 54 -1.529 5.234 2.281 401 H LYS 55 HN LYS 55 -4.869 1.929 2.545 402 HA LYS 55 HA LYS 55 -7.539 1.390 2.895 403 1HB LYS 55 HB2 LYS 55 -5.071 0.491 4.229 404 2HB LYS 55 HB1 LYS 55 -6.530 0.287 5.199 405 1HG LYS 55 HG2 LYS 55 -7.017 -0.493 2.448 406 2HG LYS 55 HG1 LYS 55 -5.652 -1.389 3.119 407 1HD LYS 55 HD2 LYS 55 -7.024 -2.006 5.081 408 2HD LYS 55 HD1 LYS 55 -8.391 -1.127 4.395 409 1HE LYS 55 HE2 LYS 55 -6.995 -3.369 2.918 410 2HE LYS 55 HE1 LYS 55 -8.379 -3.644 3.975 411 1HZ LYS 55 HZ1 LYS 55 -8.627 -1.524 1.993 412 2HZ LYS 55 HZ3 LYS 55 -8.640 -3.115 1.409 413 3HZ LYS 55 HZ2 LYS 55 -9.791 -2.625 2.559 414 H THR 56 HN THR 56 -8.927 2.990 3.613 415 HA THR 56 HA THR 56 -8.268 4.478 6.076 416 HB THR 56 HB THR 56 -10.501 4.704 4.059 417 HG1 THR 56 HG1 THR 56 -9.299 6.244 3.306 418 1HG2 THR 56 HG21 THR 56 -10.124 6.066 6.726 419 2HG2 THR 56 HG23 THR 56 -11.069 6.800 5.431 420 3HG2 THR 56 HG22 THR 56 -11.560 5.250 6.110 421 H SER 57 HN SER 57 -11.335 3.118 5.017 422 HA SER 57 HA SER 57 -11.495 1.393 7.351 423 1HB SER 57 HB2 SER 57 -13.333 2.446 8.422 424 2HB SER 57 HB1 SER 57 -12.219 3.761 8.058 425 HG SER 57 HG SER 57 -13.545 3.751 5.959 426 H GLY 58 HN GLY 58 -11.465 0.552 4.788 427 1HA GLY 58 HA2 GLY 58 -14.245 -0.424 4.427 428 2HA GLY 58 HA1 GLY 58 -13.458 0.348 3.049 429 H LYS 59 HN LYS 59 -14.298 -2.379 3.046 430 HA LYS 59 HA LYS 59 -11.716 -3.862 3.227 431 1HB LYS 59 HB2 LYS 59 -14.606 -4.677 3.323 432 2HB LYS 59 HB1 LYS 59 -13.390 -5.850 2.815 433 1HG LYS 59 HG2 LYS 59 -12.163 -5.560 4.888 434 2HG LYS 59 HG1 LYS 59 -13.231 -4.248 5.381 435 1HD LYS 59 HD2 LYS 59 -14.870 -5.671 6.063 436 2HD LYS 59 HD1 LYS 59 -14.614 -6.769 4.706 437 1HE LYS 59 HE2 LYS 59 -12.732 -6.552 7.068 438 2HE LYS 59 HE1 LYS 59 -14.015 -7.754 6.948 439 1HZ LYS 59 HZ1 LYS 59 -12.205 -7.500 4.674 440 2HZ LYS 59 HZ3 LYS 59 -11.573 -8.206 6.080 441 3HZ LYS 59 HZ2 LYS 59 -12.939 -8.886 5.329 442 H CYS 60 HN CYS 60 -11.824 -2.147 1.089 443 HA CYS 60 HA CYS 60 -11.571 -2.121 -1.244 444 1HB CYS 60 HB2 CYS 60 -10.151 -4.084 -0.861 445 2HB CYS 60 HB1 CYS 60 -11.571 -5.128 -0.827 446 H ASN 61 HN ASN 61 -13.612 -1.243 -1.785 447 HA ASN 61 HA ASN 61 -15.742 -3.240 -2.410 448 1HB ASN 61 HB2 ASN 61 -15.779 -0.660 -1.047 449 2HB ASN 61 HB1 ASN 61 -16.909 -0.719 -2.387 450 1HD2 ASN 61 HD22 ASN 61 -17.516 -3.862 0.116 451 2HD2 ASN 61 HD21 ASN 61 -16.016 -3.618 -0.637 452 HA PRO 62 HA PRO 62 -15.031 -2.183 -6.642 453 1HB PRO 62 HB2 PRO 62 -17.706 -2.934 -7.373 454 2HB PRO 62 HB1 PRO 62 -16.223 -3.877 -7.575 455 1HG PRO 62 HG2 PRO 62 -18.361 -4.355 -5.708 456 2HG PRO 62 HG1 PRO 62 -16.860 -5.273 -5.889 457 1HD PRO 62 HD2 PRO 62 -17.588 -3.445 -3.765 458 2HD PRO 62 HD1 PRO 62 -16.113 -4.423 -3.915 459 H ALA 63 HN ALA 63 -15.038 0.149 -6.183 460 HA ALA 63 HA ALA 63 -17.140 1.567 -7.534 461 1HB ALA 63 HB1 ALA 63 -17.735 0.956 -4.861 462 2HB ALA 63 HB3 ALA 63 -17.207 2.639 -4.834 463 3HB ALA 63 HB2 ALA 63 -18.547 2.151 -5.871 Start of MODEL 11 Raw file had 463 H/Q atoms Start of MODEL 11 1 1H LYS 1 HT3 LYS 1 5.391 14.288 3.209 2 2H LYS 1 HT2 LYS 1 5.198 14.545 1.541 3 3H LYS 1 HT1 LYS 1 3.838 14.303 2.528 4 HA LYS 1 HA LYS 1 4.248 12.290 1.331 5 1HB LYS 1 HB2 LYS 1 7.025 12.466 2.550 6 2HB LYS 1 HB1 LYS 1 6.419 11.142 1.554 7 1HG LYS 1 HG2 LYS 1 7.437 12.367 -0.106 8 2HG LYS 1 HG1 LYS 1 5.873 13.185 -0.107 9 1HD LYS 1 HD2 LYS 1 6.829 15.114 0.551 10 2HD LYS 1 HD1 LYS 1 7.565 14.317 1.941 11 1HE LYS 1 HE2 LYS 1 8.906 13.562 -0.521 12 2HE LYS 1 HE1 LYS 1 8.903 15.313 -0.313 13 1HZ LYS 1 HZ2 LYS 1 9.594 13.546 1.941 14 2HZ LYS 1 HZ1 LYS 1 10.763 13.935 0.771 15 3HZ LYS 1 HZ3 LYS 1 10.030 15.166 1.679 16 H LYS 2 HN LYS 2 4.270 10.113 2.424 17 HA LYS 2 HA LYS 2 4.561 9.900 5.280 18 1HB LYS 2 HB2 LYS 2 2.175 9.683 5.857 19 2HB LYS 2 HB1 LYS 2 2.538 11.299 5.248 20 1HG LYS 2 HG2 LYS 2 1.005 11.028 3.628 21 2HG LYS 2 HG1 LYS 2 1.914 9.648 3.006 22 1HD LYS 2 HD2 LYS 2 0.807 8.293 4.885 23 2HD LYS 2 HD1 LYS 2 -0.301 9.655 5.050 24 1HE LYS 2 HE2 LYS 2 0.012 8.904 2.261 25 2HE LYS 2 HE1 LYS 2 -0.525 7.531 3.230 26 1HZ LYS 2 HZ2 LYS 2 -1.788 10.197 3.452 27 2HZ LYS 2 HZ1 LYS 2 -2.306 9.050 2.311 28 3HZ LYS 2 HZ3 LYS 2 -2.395 8.697 3.967 29 H ASP 3 HN ASP 3 4.164 7.705 5.997 30 HA ASP 3 HA ASP 3 4.285 5.750 3.804 31 1HB ASP 3 HB2 ASP 3 4.121 4.951 6.677 32 2HB ASP 3 HB1 ASP 3 5.126 4.284 5.391 33 H GLY 4 HN GLY 4 2.883 3.654 4.241 34 1HA GLY 4 HA2 GLY 4 0.611 3.329 5.642 35 2HA GLY 4 HA1 GLY 4 0.085 4.579 4.518 36 OH TYR 5 OH TYR 5 -0.240 -2.698 7.469 37 H TYR 5 HN TYR 5 -1.424 2.591 4.088 38 HA TYR 5 HA TYR 5 -0.190 0.610 2.263 39 1HB TYR 5 HB2 TYR 5 -3.006 0.898 3.347 40 2HB TYR 5 HB1 TYR 5 -2.490 -0.389 2.258 41 HD1 TYR 5 HD1 TYR 5 -0.778 -2.046 2.997 42 HD2 TYR 5 HD2 TYR 5 -2.414 0.885 5.672 43 HE1 TYR 5 HE1 TYR 5 0.056 -3.353 4.927 44 HE2 TYR 5 HE2 TYR 5 -1.576 -0.420 7.607 45 HH TYR 5 HH TYR 5 -0.501 -2.239 8.272 46 HA PRO 6 HA PRO 6 -1.388 3.384 -1.061 47 1HB PRO 6 HB2 PRO 6 -0.451 1.518 -2.991 48 2HB PRO 6 HB1 PRO 6 0.409 2.936 -2.380 49 1HG PRO 6 HG2 PRO 6 0.968 0.141 -1.835 50 2HG PRO 6 HG1 PRO 6 1.877 1.563 -1.315 51 1HD PRO 6 HD2 PRO 6 0.167 -0.115 0.288 52 2HD PRO 6 HD1 PRO 6 1.082 1.316 0.804 53 H VAL 7 HN VAL 7 -3.684 3.141 -0.989 54 HA VAL 7 HA VAL 7 -4.785 0.643 -2.202 55 HB VAL 7 HB VAL 7 -6.844 1.140 -1.115 56 1HG1 VAL 7 HG13 VAL 7 -4.545 1.900 0.710 57 2HG1 VAL 7 HG12 VAL 7 -6.148 1.403 1.254 58 3HG1 VAL 7 HG11 VAL 7 -5.119 0.264 0.388 59 1HG2 VAL 7 HG23 VAL 7 -5.631 3.884 -0.805 60 2HG2 VAL 7 HG22 VAL 7 -7.196 3.442 -1.486 61 3HG2 VAL 7 HG21 VAL 7 -6.937 3.355 0.256 62 H ASP 8 HN ASP 8 -5.589 0.749 -4.249 63 HA ASP 8 HA ASP 8 -5.367 3.084 -5.838 64 1HB ASP 8 HB2 ASP 8 -6.756 1.916 -7.489 65 2HB ASP 8 HB1 ASP 8 -5.584 0.804 -6.785 66 H SER 9 HN SER 9 -7.843 3.486 -7.089 67 HA SER 9 HA SER 9 -9.083 5.310 -5.229 68 1HB SER 9 HB2 SER 9 -10.383 6.003 -7.037 69 2HB SER 9 HB1 SER 9 -8.967 5.345 -7.855 70 HG SER 9 HG SER 9 -11.557 4.317 -7.608 71 H GLY 10 HN GLY 10 -9.610 1.969 -5.982 72 1HA GLY 10 HA2 GLY 10 -12.354 1.991 -4.904 73 2HA GLY 10 HA1 GLY 10 -11.504 0.584 -5.537 74 H ASN 11 HN ASN 11 -9.479 2.239 -3.371 75 HA ASN 11 HA ASN 11 -8.919 1.835 -1.117 76 1HB ASN 11 HB2 ASN 11 -11.557 1.971 -0.953 77 2HB ASN 11 HB1 ASN 11 -11.425 0.234 -0.710 78 1HD2 ASN 11 HD22 ASN 11 -9.032 1.492 2.138 79 2HD2 ASN 11 HD21 ASN 11 -8.593 1.122 0.543 80 H CYS 12 HN CYS 12 -8.053 0.186 -3.172 81 HA CYS 12 HA CYS 12 -8.061 -2.523 -1.920 82 1HB CYS 12 HB2 CYS 12 -8.259 -1.608 -4.703 83 2HB CYS 12 HB1 CYS 12 -7.043 -2.859 -4.455 84 H LYS 13 HN LYS 13 -6.286 -2.245 -0.555 85 HA LYS 13 HA LYS 13 -3.863 -0.914 -1.252 86 1HB LYS 13 HB2 LYS 13 -2.890 -2.439 0.569 87 2HB LYS 13 HB1 LYS 13 -4.244 -1.414 1.055 88 1HG LYS 13 HG2 LYS 13 -5.335 -3.806 -0.041 89 2HG LYS 13 HG1 LYS 13 -4.088 -4.273 1.113 90 1HD LYS 13 HD2 LYS 13 -5.177 -2.537 2.692 91 2HD LYS 13 HD1 LYS 13 -6.556 -2.610 1.593 92 1HE LYS 13 HE2 LYS 13 -7.108 -4.284 3.122 93 2HE LYS 13 HE1 LYS 13 -6.272 -5.212 1.878 94 1HZ LYS 13 HZ1 LYS 13 -4.804 -4.047 4.158 95 2HZ LYS 13 HZ3 LYS 13 -5.574 -5.552 4.294 96 3HZ LYS 13 HZ2 LYS 13 -4.347 -5.328 3.141 97 OH TYR 14 OH TYR 14 -3.247 2.038 -6.581 98 H TYR 14 HN TYR 14 -2.435 -1.517 -2.825 99 HA TYR 14 HA TYR 14 -2.648 -3.891 -4.335 100 1HB TYR 14 HB2 TYR 14 -0.043 -2.431 -3.877 101 2HB TYR 14 HB1 TYR 14 -0.555 -3.318 -5.314 102 HD1 TYR 14 HD1 TYR 14 -2.720 -2.485 -6.494 103 HD2 TYR 14 HD2 TYR 14 -0.431 -0.140 -3.734 104 HE1 TYR 14 HE1 TYR 14 -3.752 -0.425 -7.398 105 HE2 TYR 14 HE2 TYR 14 -1.459 1.928 -4.633 106 HH TYR 14 HH TYR 14 -3.410 2.634 -5.847 107 H GLU 15 HN GLU 15 -2.635 -5.830 -3.359 108 HA GLU 15 HA GLU 15 -1.227 -6.555 -1.002 109 1HB GLU 15 HB2 GLU 15 -2.061 -8.316 -3.322 110 2HB GLU 15 HB1 GLU 15 -1.650 -8.879 -1.703 111 1HG GLU 15 HG2 GLU 15 -3.674 -8.297 -0.866 112 2HG GLU 15 HG1 GLU 15 -3.669 -6.747 -1.710 113 H CYS 16 HN CYS 16 0.412 -8.633 -1.301 114 HA CYS 16 HA CYS 16 2.326 -8.199 -3.480 115 1HB CYS 16 HB2 CYS 16 4.184 -7.909 -1.634 116 2HB CYS 16 HB1 CYS 16 3.292 -6.519 -2.228 117 H LEU 17 HN LEU 17 4.507 -9.445 -2.608 118 HA LEU 17 HA LEU 17 3.697 -12.005 -1.342 119 1HB LEU 17 HB2 LEU 17 5.265 -11.865 -3.933 120 2HB LEU 17 HB1 LEU 17 4.690 -13.319 -3.114 121 HG LEU 17 HG LEU 17 2.802 -11.156 -4.055 122 1HD1 LEU 17 HD12 LEU 17 4.110 -12.030 -5.984 123 2HD1 LEU 17 HD11 LEU 17 3.623 -13.667 -5.545 124 3HD1 LEU 17 HD13 LEU 17 2.412 -12.497 -6.063 125 1HD2 LEU 17 HD23 LEU 17 2.489 -14.089 -3.342 126 2HD2 LEU 17 HD22 LEU 17 1.911 -12.716 -2.399 127 3HD2 LEU 17 HD21 LEU 17 1.195 -13.069 -3.971 128 H LYS 18 HN LYS 18 6.294 -9.885 -2.530 129 HA LYS 18 HA LYS 18 7.999 -10.925 -0.311 130 1HB LYS 18 HB2 LYS 18 8.570 -11.564 -2.851 131 2HB LYS 18 HB1 LYS 18 9.325 -9.969 -2.808 132 1HG LYS 18 HG2 LYS 18 10.864 -10.592 -1.173 133 2HG LYS 18 HG1 LYS 18 9.836 -11.886 -0.556 134 1HD LYS 18 HD2 LYS 18 11.238 -11.906 -3.245 135 2HD LYS 18 HD1 LYS 18 11.785 -12.773 -1.810 136 1HE LYS 18 HE2 LYS 18 10.353 -14.459 -2.215 137 2HE LYS 18 HE1 LYS 18 8.994 -13.337 -2.304 138 1HZ LYS 18 HZ2 LYS 18 10.515 -12.997 -4.609 139 2HZ LYS 18 HZ1 LYS 18 10.308 -14.669 -4.401 140 3HZ LYS 18 HZ3 LYS 18 8.954 -13.652 -4.480 141 H ASP 19 HN ASP 19 10.039 -9.210 -0.291 142 HA ASP 19 HA ASP 19 8.756 -6.662 0.393 143 1HB ASP 19 HB2 ASP 19 10.800 -8.025 1.520 144 2HB ASP 19 HB1 ASP 19 11.715 -6.926 0.487 145 H ASP 20 HN ASP 20 10.390 -7.956 -2.336 146 HA ASP 20 HA ASP 20 11.367 -5.350 -3.278 147 1HB ASP 20 HB2 ASP 20 11.372 -7.141 -5.449 148 2HB ASP 20 HB1 ASP 20 12.742 -6.687 -4.447 149 OH TYR 21 OH TYR 21 1.544 -5.708 -7.712 150 H TYR 21 HN TYR 21 8.533 -7.387 -3.735 151 HA TYR 21 HA TYR 21 7.592 -5.991 -6.094 152 1HB TYR 21 HB2 TYR 21 6.714 -8.214 -5.544 153 2HB TYR 21 HB1 TYR 21 6.067 -7.603 -4.021 154 HD1 TYR 21 HD2 TYR 21 6.041 -5.482 -7.011 155 HD2 TYR 21 HD1 TYR 21 3.765 -8.252 -4.649 156 HE1 TYR 21 HE2 TYR 21 3.971 -4.767 -8.172 157 HE2 TYR 21 HE1 TYR 21 1.691 -7.537 -5.808 158 HH TYR 21 HH TYR 21 1.054 -6.498 -7.959 159 H CYS 22 HN CYS 22 7.410 -5.454 -2.645 160 HA CYS 22 HA CYS 22 5.361 -3.364 -2.867 161 1HB CYS 22 HB2 CYS 22 7.070 -4.432 -0.628 162 2HB CYS 22 HB1 CYS 22 6.111 -2.970 -0.422 163 H ASN 23 HN ASN 23 8.854 -3.528 -2.266 164 HA ASN 23 HA ASN 23 9.320 -0.743 -1.899 165 1HB ASN 23 HB2 ASN 23 10.897 -2.814 -1.672 166 2HB ASN 23 HB1 ASN 23 11.212 -2.573 -3.380 167 1HD2 ASN 23 HD22 ASN 23 13.685 -0.215 -2.507 168 2HD2 ASN 23 HD21 ASN 23 13.285 -1.621 -3.370 169 H ASP 24 HN ASP 24 9.421 -2.760 -4.828 170 HA ASP 24 HA ASP 24 9.998 -0.628 -6.662 171 1HB ASP 24 HB2 ASP 24 10.126 -3.095 -7.181 172 2HB ASP 24 HB1 ASP 24 8.369 -3.114 -7.250 173 H LEU 25 HN LEU 25 6.889 -2.337 -6.352 174 HA LEU 25 HA LEU 25 5.230 -0.552 -7.667 175 1HB LEU 25 HB2 LEU 25 4.301 -2.589 -6.810 176 2HB LEU 25 HB1 LEU 25 4.771 -2.190 -5.162 177 HG LEU 25 HG LEU 25 3.151 -0.052 -5.875 178 1HD1 LEU 25 HD13 LEU 25 2.259 -2.592 -7.221 179 2HD1 LEU 25 HD12 LEU 25 1.064 -1.437 -6.626 180 3HD1 LEU 25 HD11 LEU 25 2.240 -0.944 -7.846 181 1HD2 LEU 25 HD21 LEU 25 2.698 -2.631 -4.374 182 2HD2 LEU 25 HD23 LEU 25 2.944 -1.009 -3.722 183 3HD2 LEU 25 HD22 LEU 25 1.417 -1.427 -4.500 184 H CYS 26 HN CYS 26 6.735 -0.202 -4.554 185 HA CYS 26 HA CYS 26 5.197 2.011 -3.617 186 1HB CYS 26 HB2 CYS 26 7.682 0.573 -2.845 187 2HB CYS 26 HB1 CYS 26 7.488 2.192 -2.213 188 H LEU 27 HN LEU 27 8.382 1.745 -5.192 189 HA LEU 27 HA LEU 27 9.049 4.480 -5.199 190 1HB LEU 27 HB2 LEU 27 9.738 2.201 -7.054 191 2HB LEU 27 HB1 LEU 27 10.352 3.830 -7.332 192 HG LEU 27 HG LEU 27 10.730 2.242 -4.777 193 1HD1 LEU 27 HD12 LEU 27 12.097 2.149 -7.293 194 2HD1 LEU 27 HD11 LEU 27 13.169 2.888 -6.105 195 3HD1 LEU 27 HD13 LEU 27 12.491 1.289 -5.804 196 1HD2 LEU 27 HD23 LEU 27 11.193 5.047 -5.571 197 2HD2 LEU 27 HD22 LEU 27 11.061 4.343 -3.960 198 3HD2 LEU 27 HD21 LEU 27 12.591 4.266 -4.833 199 H GLU 28 HN GLU 28 7.267 2.515 -7.570 200 HA GLU 28 HA GLU 28 6.810 4.465 -9.511 201 1HB GLU 28 HB2 GLU 28 6.058 2.011 -9.533 202 2HB GLU 28 HB1 GLU 28 4.663 2.552 -8.599 203 1HG GLU 28 HG2 GLU 28 3.661 3.345 -10.450 204 2HG GLU 28 HG1 GLU 28 5.084 4.306 -10.855 205 NH1 ARG 29 NH2 ARG 29 -0.711 4.324 -4.600 206 NH2 ARG 29 NH1 ARG 29 -1.552 4.065 -6.677 207 H ARG 29 HN ARG 29 5.101 3.817 -6.528 208 HA ARG 29 HA ARG 29 3.110 5.811 -6.767 209 1HB ARG 29 HB2 ARG 29 4.084 4.042 -4.726 210 2HB ARG 29 HB1 ARG 29 3.840 5.649 -4.042 211 1HG ARG 29 HG2 ARG 29 1.701 4.850 -3.816 212 2HG ARG 29 HG1 ARG 29 1.574 5.479 -5.460 213 1HD ARG 29 HD2 ARG 29 2.591 2.997 -5.933 214 2HD ARG 29 HD1 ARG 29 1.612 2.674 -4.505 215 HE ARG 29 HE ARG 29 0.617 3.025 -7.143 216 1HH1 ARG 29 HH21 ARG 29 0.022 4.189 -3.938 217 2HH1 ARG 29 HH22 ARG 29 -1.566 4.756 -4.314 218 1HH2 ARG 29 HH11 ARG 29 -1.457 3.736 -7.617 219 2HH2 ARG 29 HH12 ARG 29 -2.406 4.490 -6.380 220 H LYS 30 HN LYS 30 6.356 5.894 -5.508 221 HA LYS 30 HA LYS 30 7.713 7.969 -5.948 222 1HB LYS 30 HB2 LYS 30 6.866 10.115 -5.297 223 2HB LYS 30 HB1 LYS 30 5.611 9.371 -6.283 224 1HG LYS 30 HG2 LYS 30 4.198 9.743 -4.559 225 2HG LYS 30 HG1 LYS 30 5.068 8.480 -3.687 226 1HD LYS 30 HD2 LYS 30 5.007 10.527 -2.338 227 2HD LYS 30 HD1 LYS 30 6.664 10.195 -2.843 228 1HE LYS 30 HE2 LYS 30 5.619 12.622 -3.127 229 2HE LYS 30 HE1 LYS 30 6.709 11.962 -4.344 230 1HZ LYS 30 HZ2 LYS 30 3.749 11.730 -4.454 231 2HZ LYS 30 HZ1 LYS 30 4.646 12.918 -5.276 232 3HZ LYS 30 HZ3 LYS 30 4.855 11.281 -5.664 233 H ALA 31 HN ALA 31 6.624 6.006 -3.632 234 HA ALA 31 HA ALA 31 7.475 7.401 -1.230 235 1HB ALA 31 HB3 ALA 31 6.781 4.549 -1.896 236 2HB ALA 31 HB2 ALA 31 7.510 4.950 -0.340 237 3HB ALA 31 HB1 ALA 31 5.962 5.660 -0.798 238 H ASP 32 HN ASP 32 9.381 6.890 0.007 239 HA ASP 32 HA ASP 32 11.737 6.525 -1.614 240 1HB ASP 32 HB2 ASP 32 11.273 7.948 0.586 241 2HB ASP 32 HB1 ASP 32 11.825 6.471 1.360 242 H LYS 33 HN LYS 33 10.196 4.752 1.070 243 HA LYS 33 HA LYS 33 11.449 2.258 0.006 244 1HB LYS 33 HB2 LYS 33 12.951 2.939 1.774 245 2HB LYS 33 HB1 LYS 33 11.606 3.258 2.866 246 1HG LYS 33 HG2 LYS 33 11.271 0.591 2.013 247 2HG LYS 33 HG1 LYS 33 12.987 0.767 2.360 248 1HD LYS 33 HD2 LYS 33 12.425 1.730 4.577 249 2HD LYS 33 HD1 LYS 33 10.712 1.486 4.232 250 1HE LYS 33 HE2 LYS 33 10.898 -0.607 5.034 251 2HE LYS 33 HE1 LYS 33 11.978 -0.983 3.692 252 1HZ LYS 33 HZ3 LYS 33 13.144 0.473 5.923 253 2HZ LYS 33 HZ2 LYS 33 12.713 -1.141 6.229 254 3HZ LYS 33 HZ1 LYS 33 13.801 -0.773 4.979 255 H GLY 34 HN GLY 34 10.196 0.351 0.468 256 1HA GLY 34 HA2 GLY 34 7.832 0.556 2.171 257 2HA GLY 34 HA1 GLY 34 7.455 0.494 0.455 258 OH TYR 35 OH TYR 35 5.833 -1.543 7.984 259 H TYR 35 HN TYR 35 7.248 -1.479 2.866 260 HA TYR 35 HA TYR 35 8.497 -3.771 1.409 261 1HB TYR 35 HB2 TYR 35 8.506 -4.937 3.631 262 2HB TYR 35 HB1 TYR 35 9.573 -3.546 3.548 263 HD1 TYR 35 HD2 TYR 35 6.127 -4.562 4.581 264 HD2 TYR 35 HD1 TYR 35 9.359 -1.780 5.103 265 HE1 TYR 35 HE2 TYR 35 4.950 -3.558 6.519 266 HE2 TYR 35 HE1 TYR 35 8.181 -0.775 7.038 267 HH TYR 35 HH TYR 35 5.111 -2.127 8.228 268 H CYS 36 HN CYS 36 7.294 -5.873 2.425 269 HA CYS 36 HA CYS 36 4.423 -5.440 1.767 270 1HB CYS 36 HB2 CYS 36 5.670 -6.971 0.322 271 2HB CYS 36 HB1 CYS 36 6.131 -7.938 1.714 272 OH TYR 37 OH TYR 37 3.376 -5.653 11.888 273 H TYR 37 HN TYR 37 3.445 -5.039 3.750 274 HA TYR 37 HA TYR 37 4.173 -6.636 6.105 275 1HB TYR 37 HB2 TYR 37 3.268 -4.136 5.939 276 2HB TYR 37 HB1 TYR 37 1.703 -4.942 6.018 277 HD1 TYR 37 HD2 TYR 37 2.745 -7.345 7.700 278 HD2 TYR 37 HD1 TYR 37 3.125 -3.087 8.128 279 HE1 TYR 37 HE2 TYR 37 3.017 -7.616 10.148 280 HE2 TYR 37 HE1 TYR 37 3.395 -3.358 10.579 281 HH TYR 37 HH TYR 37 3.974 -4.969 12.198 282 CH2 TRP 38 CH2 TRP 38 0.201 -14.612 1.793 283 H TRP 38 HN TRP 38 3.605 -8.774 5.703 284 HA TRP 38 HA TRP 38 1.151 -9.518 4.393 285 1HB TRP 38 HB2 TRP 38 3.460 -10.888 5.508 286 2HB TRP 38 HB1 TRP 38 1.964 -11.730 5.904 287 HD1 TRP 38 HD1 TRP 38 3.738 -10.251 2.806 288 HE1 TRP 38 HE1 TRP 38 3.055 -11.655 0.754 289 HE3 TRP 38 HE3 TRP 38 0.391 -13.430 4.987 290 HZ2 TRP 38 HZ2 TRP 38 1.317 -13.838 0.121 291 HZ3 TRP 38 HZ3 TRP 38 -0.765 -15.160 3.638 292 HH2 TRP 38 HH2 TRP 38 -0.306 -15.367 1.211 293 H GLY 39 HN GLY 39 1.691 -11.087 7.487 294 1HA GLY 39 HA2 GLY 39 0.054 -11.497 9.147 295 2HA GLY 39 HA1 GLY 39 0.116 -9.737 9.288 296 H LYS 40 HN LYS 40 -0.937 -11.362 6.370 297 HA LYS 40 HA LYS 40 -3.023 -11.431 5.299 298 1HB LYS 40 HB2 LYS 40 -3.683 -12.249 7.728 299 2HB LYS 40 HB1 LYS 40 -4.409 -10.645 7.846 300 1HG LYS 40 HG2 LYS 40 -5.047 -11.870 5.295 301 2HG LYS 40 HG1 LYS 40 -5.542 -12.912 6.631 302 1HD LYS 40 HD2 LYS 40 -6.687 -10.960 7.680 303 2HD LYS 40 HD1 LYS 40 -6.269 -9.991 6.268 304 1HE LYS 40 HE2 LYS 40 -7.646 -11.282 4.833 305 2HE LYS 40 HE1 LYS 40 -7.782 -12.592 6.007 306 1HZ LYS 40 HZ1 LYS 40 -8.719 -9.935 6.799 307 2HZ LYS 40 HZ3 LYS 40 -9.676 -10.812 5.707 308 3HZ LYS 40 HZ2 LYS 40 -9.312 -11.468 7.231 309 H VAL 41 HN VAL 41 -1.629 -9.192 4.884 310 HA VAL 41 HA VAL 41 -3.711 -7.079 5.032 311 HB VAL 41 HB VAL 41 -0.798 -6.595 5.709 312 1HG1 VAL 41 HG11 VAL 41 -3.260 -4.827 5.796 313 2HG1 VAL 41 HG13 VAL 41 -1.668 -4.370 6.403 314 3HG1 VAL 41 HG12 VAL 41 -1.904 -4.666 4.681 315 1HG2 VAL 41 HG21 VAL 41 -3.265 -6.945 7.423 316 2HG2 VAL 41 HG23 VAL 41 -1.720 -7.788 7.555 317 3HG2 VAL 41 HG22 VAL 41 -1.838 -6.087 8.001 318 H SER 42 HN SER 42 -0.676 -5.885 3.998 319 HA SER 42 HA SER 42 -0.726 -6.784 1.250 320 1HB SER 42 HB2 SER 42 -2.472 -4.549 2.038 321 2HB SER 42 HB1 SER 42 -1.440 -4.206 0.660 322 HG SER 42 HG SER 42 -2.868 -5.316 -0.406 323 H CYS 43 HN CYS 43 0.193 -4.413 0.029 324 HA CYS 43 HA CYS 43 2.938 -4.395 0.852 325 1HB CYS 43 HB2 CYS 43 1.274 -2.984 -1.157 326 2HB CYS 43 HB1 CYS 43 2.714 -2.121 -0.634 327 OH TYR 44 OH TYR 44 2.019 2.593 7.887 328 H TYR 44 HN TYR 44 4.051 -2.167 1.173 329 HA TYR 44 HA TYR 44 2.507 -0.208 2.712 330 1HB TYR 44 HB2 TYR 44 3.243 -2.196 4.265 331 2HB TYR 44 HB1 TYR 44 4.825 -1.419 4.185 332 HD1 TYR 44 HD1 TYR 44 5.031 1.034 4.846 333 HD2 TYR 44 HD2 TYR 44 1.487 -1.282 5.557 334 HE1 TYR 44 HE1 TYR 44 4.271 2.706 6.502 335 HE2 TYR 44 HE2 TYR 44 0.717 0.387 7.199 336 HH TYR 44 HH TYR 44 2.770 2.825 8.440 337 H CYS 45 HN CYS 45 3.279 1.635 1.800 338 HA CYS 45 HA CYS 45 6.137 1.748 0.975 339 1HB CYS 45 HB2 CYS 45 3.847 3.660 0.445 340 2HB CYS 45 HB1 CYS 45 5.475 3.840 -0.177 341 OH TYR 46 OH TYR 46 6.619 0.686 7.787 342 H TYR 46 HN TYR 46 7.130 3.974 1.296 343 HA TYR 46 HA TYR 46 6.342 5.303 3.826 344 1HB TYR 46 HB2 TYR 46 9.033 4.046 3.257 345 2HB TYR 46 HB1 TYR 46 8.832 5.320 4.449 346 HD1 TYR 46 HD1 TYR 46 7.773 1.867 3.536 347 HD2 TYR 46 HD2 TYR 46 7.884 4.885 6.577 348 HE1 TYR 46 HE1 TYR 46 7.027 0.205 5.217 349 HE2 TYR 46 HE2 TYR 46 7.138 3.233 8.261 350 HH TYR 46 HH TYR 46 5.958 1.103 8.345 351 H GLY 47 HN GLY 47 5.782 7.112 2.579 352 1HA GLY 47 HA2 GLY 47 7.094 9.302 2.100 353 2HA GLY 47 HA1 GLY 47 7.942 8.320 0.907 354 H LEU 48 HN LEU 48 4.749 7.291 1.128 355 HA LEU 48 HA LEU 48 4.034 7.971 -1.504 356 1HB LEU 48 HB2 LEU 48 2.279 7.519 0.927 357 2HB LEU 48 HB1 LEU 48 1.670 7.599 -0.726 358 HG LEU 48 HG LEU 48 3.657 5.598 0.378 359 1HD1 LEU 48 HD12 LEU 48 0.894 5.596 0.428 360 2HD1 LEU 48 HD11 LEU 48 1.255 4.680 -1.034 361 3HD1 LEU 48 HD13 LEU 48 1.913 4.160 0.518 362 1HD2 LEU 48 HD21 LEU 48 2.825 6.320 -2.421 363 2HD2 LEU 48 HD23 LEU 48 4.430 5.933 -1.806 364 3HD2 LEU 48 HD22 LEU 48 3.246 4.650 -2.041 365 HA PRO 49 HA PRO 49 2.993 12.209 -1.530 366 1HB PRO 49 HB2 PRO 49 0.419 11.904 -2.781 367 2HB PRO 49 HB1 PRO 49 1.948 12.366 -3.541 368 1HG PRO 49 HG2 PRO 49 0.552 9.867 -3.810 369 2HG PRO 49 HG1 PRO 49 2.102 10.322 -4.530 370 1HD PRO 49 HD2 PRO 49 1.627 8.486 -2.346 371 2HD PRO 49 HD1 PRO 49 3.174 8.907 -3.103 372 H ASP 50 HN ASP 50 1.706 13.714 -0.341 373 HA ASP 50 HA ASP 50 0.493 12.841 2.015 374 1HB ASP 50 HB2 ASP 50 0.755 15.353 0.553 375 2HB ASP 50 HB1 ASP 50 -0.710 15.256 1.519 376 H ASN 51 HN ASN 51 -1.139 14.083 -0.864 377 HA ASN 51 HA ASN 51 -3.742 13.354 0.035 378 1HB ASN 51 HB2 ASN 51 -4.477 14.177 -2.061 379 2HB ASN 51 HB1 ASN 51 -3.112 15.182 -1.615 380 1HD2 ASN 51 HD22 ASN 51 -2.511 14.220 -5.132 381 2HD2 ASN 51 HD21 ASN 51 -3.610 15.196 -4.281 382 H SER 52 HN SER 52 -1.274 11.394 -0.973 383 HA SER 52 HA SER 52 -2.435 9.617 -2.839 384 1HB SER 52 HB2 SER 52 -0.036 9.678 -1.804 385 2HB SER 52 HB1 SER 52 -0.718 8.607 -0.585 386 HG SER 52 HG SER 52 -1.476 7.334 -2.444 387 HA PRO 53 HA PRO 53 -5.798 8.126 -0.280 388 1HB PRO 53 HB2 PRO 53 -6.434 6.167 -2.268 389 2HB PRO 53 HB1 PRO 53 -7.253 7.706 -1.970 390 1HG PRO 53 HG2 PRO 53 -5.556 7.013 -4.198 391 2HG PRO 53 HG1 PRO 53 -6.388 8.545 -3.904 392 1HD PRO 53 HD2 PRO 53 -3.563 7.983 -3.660 393 2HD PRO 53 HD1 PRO 53 -4.395 9.529 -3.403 394 H THR 54 HN THR 54 -5.478 6.662 1.344 395 HA THR 54 HA THR 54 -4.122 4.086 0.672 396 HB THR 54 HB THR 54 -2.840 4.202 2.713 397 HG1 THR 54 HG1 THR 54 -4.423 6.501 3.171 398 1HG2 THR 54 HG21 THR 54 -2.793 6.870 1.278 399 2HG2 THR 54 HG23 THR 54 -1.499 6.235 2.293 400 3HG2 THR 54 HG22 THR 54 -1.918 5.419 0.787 401 H LYS 55 HN LYS 55 -4.523 2.437 2.494 402 HA LYS 55 HA LYS 55 -7.167 1.763 2.770 403 1HB LYS 55 HB2 LYS 55 -4.717 1.119 4.230 404 2HB LYS 55 HB1 LYS 55 -6.154 1.006 5.246 405 1HG LYS 55 HG2 LYS 55 -5.682 -0.394 2.600 406 2HG LYS 55 HG1 LYS 55 -5.821 -1.147 4.190 407 1HD LYS 55 HD2 LYS 55 -8.158 0.128 4.200 408 2HD LYS 55 HD1 LYS 55 -7.954 0.020 2.451 409 1HE LYS 55 HE2 LYS 55 -7.257 -2.504 3.624 410 2HE LYS 55 HE1 LYS 55 -8.843 -2.012 4.218 411 1HZ LYS 55 HZ1 LYS 55 -8.476 -1.523 1.409 412 2HZ LYS 55 HZ3 LYS 55 -8.356 -3.166 1.817 413 3HZ LYS 55 HZ2 LYS 55 -9.756 -2.293 2.221 414 H THR 56 HN THR 56 -8.902 2.747 3.659 415 HA THR 56 HA THR 56 -8.510 4.990 5.524 416 HB THR 56 HB THR 56 -10.926 3.835 4.130 417 HG1 THR 56 HG1 THR 56 -10.156 6.501 4.026 418 1HG2 THR 56 HG22 THR 56 -10.821 6.097 6.147 419 2HG2 THR 56 HG21 THR 56 -12.224 5.671 5.169 420 3HG2 THR 56 HG23 THR 56 -11.617 4.541 6.377 421 H SER 57 HN SER 57 -10.796 2.320 5.539 422 HA SER 57 HA SER 57 -9.973 1.127 7.962 423 1HB SER 57 HB2 SER 57 -11.824 1.987 9.451 424 2HB SER 57 HB1 SER 57 -10.583 3.181 9.078 425 HG SER 57 HG SER 57 -13.221 3.214 8.521 426 H GLY 58 HN GLY 58 -10.703 -0.094 5.742 427 1HA GLY 58 HA2 GLY 58 -12.929 -1.746 6.495 428 2HA GLY 58 HA1 GLY 58 -13.415 -0.636 5.212 429 H LYS 59 HN LYS 59 -13.194 -3.531 4.965 430 HA LYS 59 HA LYS 59 -10.729 -4.107 3.513 431 1HB LYS 59 HB2 LYS 59 -11.722 -6.282 3.082 432 2HB LYS 59 HB1 LYS 59 -12.036 -5.848 4.763 433 1HG LYS 59 HG2 LYS 59 -14.261 -4.866 3.898 434 2HG LYS 59 HG1 LYS 59 -13.942 -5.783 2.425 435 1HD LYS 59 HD2 LYS 59 -13.567 -7.795 4.042 436 2HD LYS 59 HD1 LYS 59 -14.446 -6.808 5.210 437 1HE LYS 59 HE2 LYS 59 -16.346 -6.630 3.686 438 2HE LYS 59 HE1 LYS 59 -15.465 -7.522 2.446 439 1HZ LYS 59 HZ2 LYS 59 -15.327 -9.397 4.029 440 2HZ LYS 59 HZ1 LYS 59 -16.332 -8.538 5.097 441 3HZ LYS 59 HZ3 LYS 59 -16.920 -9.017 3.580 442 H CYS 60 HN CYS 60 -10.404 -3.985 1.319 443 HA CYS 60 HA CYS 60 -11.812 -2.309 -0.368 444 1HB CYS 60 HB2 CYS 60 -9.627 -3.721 -0.772 445 2HB CYS 60 HB1 CYS 60 -10.740 -4.872 -1.511 446 H ASN 61 HN ASN 61 -13.537 -2.539 -1.844 447 HA ASN 61 HA ASN 61 -15.613 -4.401 -1.075 448 1HB ASN 61 HB2 ASN 61 -15.344 -2.070 -2.764 449 2HB ASN 61 HB1 ASN 61 -16.229 -3.336 -3.613 450 1HD2 ASN 61 HD22 ASN 61 -18.223 -1.228 -0.936 451 2HD2 ASN 61 HD21 ASN 61 -16.832 -0.711 -1.760 452 HA PRO 62 HA PRO 62 -13.928 -7.752 -3.519 453 1HB PRO 62 HB2 PRO 62 -16.461 -9.117 -3.195 454 2HB PRO 62 HB1 PRO 62 -14.907 -9.493 -2.438 455 1HG PRO 62 HG2 PRO 62 -17.208 -8.341 -1.178 456 2HG PRO 62 HG1 PRO 62 -15.617 -8.619 -0.456 457 1HD PRO 62 HD2 PRO 62 -16.811 -6.094 -1.217 458 2HD PRO 62 HD1 PRO 62 -15.238 -6.373 -0.441 459 H ALA 63 HN ALA 63 -14.018 -7.909 -5.734 460 HA ALA 63 HA ALA 63 -16.204 -6.576 -7.164 461 1HB ALA 63 HB1 ALA 63 -13.607 -7.870 -7.969 462 2HB ALA 63 HB3 ALA 63 -14.821 -7.487 -9.188 463 3HB ALA 63 HB2 ALA 63 -14.130 -6.201 -8.197 Start of MODEL 12 Raw file had 463 H/Q atoms Start of MODEL 12 1 1H LYS 1 HT3 LYS 1 2.618 14.267 2.779 2 2H LYS 1 HT2 LYS 1 4.255 14.523 2.406 3 3H LYS 1 HT1 LYS 1 3.081 14.581 1.179 4 HA LYS 1 HA LYS 1 2.700 12.279 1.262 5 1HB LYS 1 HB2 LYS 1 5.675 12.637 1.700 6 2HB LYS 1 HB1 LYS 1 4.878 11.395 0.734 7 1HG LYS 1 HG2 LYS 1 5.116 12.767 -1.041 8 2HG LYS 1 HG1 LYS 1 3.900 13.803 -0.294 9 1HD LYS 1 HD2 LYS 1 5.685 15.289 -0.560 10 2HD LYS 1 HD1 LYS 1 5.929 14.723 1.093 11 1HE LYS 1 HE2 LYS 1 7.673 13.263 0.463 12 2HE LYS 1 HE1 LYS 1 7.217 13.316 -1.241 13 1HZ LYS 1 HZ1 LYS 1 7.689 15.871 -0.844 14 2HZ LYS 1 HZ3 LYS 1 8.729 15.246 0.342 15 3HZ LYS 1 HZ2 LYS 1 8.920 14.784 -1.282 16 H LYS 2 HN LYS 2 3.362 10.154 2.326 17 HA LYS 2 HA LYS 2 4.407 10.207 5.020 18 1HB LYS 2 HB2 LYS 2 2.007 9.289 5.842 19 2HB LYS 2 HB1 LYS 2 2.464 10.989 5.955 20 1HG LYS 2 HG2 LYS 2 0.242 10.775 4.925 21 2HG LYS 2 HG1 LYS 2 1.398 11.410 3.755 22 1HD LYS 2 HD2 LYS 2 1.714 9.112 2.857 23 2HD LYS 2 HD1 LYS 2 0.489 8.525 3.982 24 1HE LYS 2 HE2 LYS 2 -0.396 10.849 2.426 25 2HE LYS 2 HE1 LYS 2 -0.006 9.451 1.423 26 1HZ LYS 2 HZ2 LYS 2 -1.716 9.266 3.836 27 2HZ LYS 2 HZ1 LYS 2 -2.347 9.568 2.287 28 3HZ LYS 2 HZ3 LYS 2 -1.526 8.117 2.599 29 H ASP 3 HN ASP 3 3.826 7.968 6.111 30 HA ASP 3 HA ASP 3 4.274 5.898 4.027 31 1HB ASP 3 HB2 ASP 3 4.339 5.286 6.936 32 2HB ASP 3 HB1 ASP 3 5.419 4.735 5.655 33 H GLY 4 HN GLY 4 3.021 3.839 4.229 34 1HA GLY 4 HA2 GLY 4 1.042 3.075 5.902 35 2HA GLY 4 HA1 GLY 4 0.235 4.398 5.065 36 OH TYR 5 OH TYR 5 0.361 -2.336 8.238 37 H TYR 5 HN TYR 5 -0.914 1.978 4.807 38 HA TYR 5 HA TYR 5 0.079 0.495 2.507 39 1HB TYR 5 HB2 TYR 5 -2.704 0.410 3.688 40 2HB TYR 5 HB1 TYR 5 -1.904 -0.841 2.740 41 HD1 TYR 5 HD1 TYR 5 -1.970 0.892 6.015 42 HD2 TYR 5 HD2 TYR 5 -0.279 -2.322 3.729 43 HE1 TYR 5 HE1 TYR 5 -1.053 -0.109 8.092 44 HE2 TYR 5 HE2 TYR 5 0.638 -3.324 5.800 45 HH TYR 5 HH TYR 5 0.026 -3.232 8.310 46 HA PRO 6 HA PRO 6 -1.750 3.520 -0.280 47 1HB PRO 6 HB2 PRO 6 -0.724 2.114 -2.519 48 2HB PRO 6 HB1 PRO 6 -0.004 3.527 -1.735 49 1HG PRO 6 HG2 PRO 6 0.939 0.785 -1.688 50 2HG PRO 6 HG1 PRO 6 1.696 2.221 -0.992 51 1HD PRO 6 HD2 PRO 6 0.312 0.096 0.395 52 2HD PRO 6 HD1 PRO 6 1.124 1.511 1.093 53 H VAL 7 HN VAL 7 -3.888 3.314 -0.838 54 HA VAL 7 HA VAL 7 -4.784 0.674 -1.943 55 HB VAL 7 HB VAL 7 -6.985 1.130 -1.061 56 1HG1 VAL 7 HG13 VAL 7 -4.775 1.686 0.936 57 2HG1 VAL 7 HG12 VAL 7 -6.435 1.305 1.391 58 3HG1 VAL 7 HG11 VAL 7 -5.463 0.117 0.524 59 1HG2 VAL 7 HG21 VAL 7 -5.834 3.853 -0.747 60 2HG2 VAL 7 HG23 VAL 7 -7.483 3.370 -1.143 61 3HG2 VAL 7 HG22 VAL 7 -6.927 3.323 0.531 62 H ASP 8 HN ASP 8 -5.551 0.721 -4.024 63 HA ASP 8 HA ASP 8 -5.214 2.982 -5.666 64 1HB ASP 8 HB2 ASP 8 -6.619 1.838 -7.325 65 2HB ASP 8 HB1 ASP 8 -5.521 0.690 -6.559 66 H SER 9 HN SER 9 -7.462 3.721 -6.975 67 HA SER 9 HA SER 9 -8.704 5.529 -5.140 68 1HB SER 9 HB2 SER 9 -9.738 6.408 -6.988 69 2HB SER 9 HB1 SER 9 -8.522 5.447 -7.825 70 HG SER 9 HG SER 9 -10.197 4.519 -8.695 71 H GLY 10 HN GLY 10 -9.241 2.222 -5.484 72 1HA GLY 10 HA2 GLY 10 -12.104 2.451 -4.707 73 2HA GLY 10 HA1 GLY 10 -11.327 0.979 -5.286 74 H ASN 11 HN ASN 11 -9.365 2.625 -3.038 75 HA ASN 11 HA ASN 11 -8.840 2.177 -0.801 76 1HB ASN 11 HB2 ASN 11 -11.417 2.613 -0.609 77 2HB ASN 11 HB1 ASN 11 -11.516 0.861 -0.420 78 1HD2 ASN 11 HD22 ASN 11 -11.040 2.356 2.982 79 2HD2 ASN 11 HD21 ASN 11 -12.224 2.496 1.774 80 H CYS 12 HN CYS 12 -8.193 0.381 -2.848 81 HA CYS 12 HA CYS 12 -8.425 -2.272 -1.531 82 1HB CYS 12 HB2 CYS 12 -7.716 -1.534 -4.388 83 2HB CYS 12 HB1 CYS 12 -7.826 -3.168 -3.754 84 H LYS 13 HN LYS 13 -6.683 -2.194 -0.116 85 HA LYS 13 HA LYS 13 -4.162 -0.972 -0.683 86 1HB LYS 13 HB2 LYS 13 -3.367 -2.453 1.230 87 2HB LYS 13 HB1 LYS 13 -4.735 -1.402 1.599 88 1HG LYS 13 HG2 LYS 13 -5.906 -3.228 2.205 89 2HG LYS 13 HG1 LYS 13 -5.846 -3.766 0.526 90 1HD LYS 13 HD2 LYS 13 -4.291 -5.345 0.973 91 2HD LYS 13 HD1 LYS 13 -3.343 -4.241 1.967 92 1HE LYS 13 HE2 LYS 13 -4.165 -6.041 3.378 93 2HE LYS 13 HE1 LYS 13 -5.007 -4.552 3.811 94 1HZ LYS 13 HZ3 LYS 13 -6.467 -5.703 1.769 95 2HZ LYS 13 HZ2 LYS 13 -6.073 -6.979 2.820 96 3HZ LYS 13 HZ1 LYS 13 -6.892 -5.612 3.408 97 OH TYR 14 OH TYR 14 -3.219 0.907 -7.027 98 H TYR 14 HN TYR 14 -2.446 -1.702 -1.853 99 HA TYR 14 HA TYR 14 -2.643 -4.126 -3.407 100 1HB TYR 14 HB2 TYR 14 -0.222 -2.392 -2.808 101 2HB TYR 14 HB1 TYR 14 -0.314 -3.616 -4.073 102 HD1 TYR 14 HD2 TYR 14 -1.716 -3.284 -6.059 103 HD2 TYR 14 HD1 TYR 14 -1.428 -0.274 -3.007 104 HE1 TYR 14 HE2 TYR 14 -2.730 -1.626 -7.597 105 HE2 TYR 14 HE1 TYR 14 -2.443 1.383 -4.544 106 HH TYR 14 HH TYR 14 -2.962 0.677 -7.923 107 H GLU 15 HN GLU 15 -2.390 -6.145 -2.564 108 HA GLU 15 HA GLU 15 -1.378 -6.676 0.047 109 1HB GLU 15 HB2 GLU 15 -1.460 -8.602 -2.290 110 2HB GLU 15 HB1 GLU 15 -1.443 -9.020 -0.575 111 1HG GLU 15 HG2 GLU 15 -3.608 -7.250 -1.700 112 2HG GLU 15 HG1 GLU 15 -3.734 -9.007 -1.810 113 H CYS 16 HN CYS 16 0.509 -8.706 -0.147 114 HA CYS 16 HA CYS 16 2.738 -7.820 -1.816 115 1HB CYS 16 HB2 CYS 16 4.142 -6.920 -0.167 116 2HB CYS 16 HB1 CYS 16 2.567 -6.249 0.243 117 H LEU 17 HN LEU 17 4.370 -9.378 -1.952 118 HA LEU 17 HA LEU 17 3.953 -11.843 -0.306 119 1HB LEU 17 HB2 LEU 17 5.117 -11.888 -3.089 120 2HB LEU 17 HB1 LEU 17 4.384 -13.208 -2.180 121 HG LEU 17 HG LEU 17 2.756 -10.790 -2.931 122 1HD1 LEU 17 HD13 LEU 17 3.848 -11.724 -4.992 123 2HD1 LEU 17 HD12 LEU 17 3.106 -13.281 -4.624 124 3HD1 LEU 17 HD11 LEU 17 2.091 -11.887 -4.994 125 1HD2 LEU 17 HD21 LEU 17 2.346 -13.426 -1.728 126 2HD2 LEU 17 HD23 LEU 17 1.295 -12.010 -1.703 127 3HD2 LEU 17 HD22 LEU 17 1.246 -13.121 -3.072 128 H LYS 18 HN LYS 18 6.246 -9.719 -1.954 129 HA LYS 18 HA LYS 18 8.389 -10.821 -0.187 130 1HB LYS 18 HB2 LYS 18 8.950 -9.823 -2.977 131 2HB LYS 18 HB1 LYS 18 9.940 -10.874 -1.962 132 1HG LYS 18 HG2 LYS 18 8.370 -12.700 -2.208 133 2HG LYS 18 HG1 LYS 18 7.218 -11.657 -3.043 134 1HD LYS 18 HD2 LYS 18 8.212 -12.091 -5.012 135 2HD LYS 18 HD1 LYS 18 9.749 -11.496 -4.386 136 1HE LYS 18 HE2 LYS 18 10.270 -13.714 -4.912 137 2HE LYS 18 HE1 LYS 18 9.870 -13.829 -3.199 138 1HZ LYS 18 HZ3 LYS 18 7.527 -14.311 -3.982 139 2HZ LYS 18 HZ2 LYS 18 8.193 -14.553 -5.526 140 3HZ LYS 18 HZ1 LYS 18 8.675 -15.534 -4.226 141 H ASP 19 HN ASP 19 10.272 -9.179 -0.058 142 HA ASP 19 HA ASP 19 9.161 -6.607 0.702 143 1HB ASP 19 HB2 ASP 19 11.283 -7.955 1.595 144 2HB ASP 19 HB1 ASP 19 12.109 -6.980 0.378 145 H ASP 20 HN ASP 20 10.802 -7.854 -2.128 146 HA ASP 20 HA ASP 20 11.525 -5.284 -3.233 147 1HB ASP 20 HB2 ASP 20 11.034 -7.115 -5.369 148 2HB ASP 20 HB1 ASP 20 12.582 -6.586 -4.727 149 OH TYR 21 OH TYR 21 1.198 -5.315 -6.171 150 H TYR 21 HN TYR 21 8.842 -7.523 -4.114 151 HA TYR 21 HA TYR 21 7.466 -5.939 -5.916 152 1HB TYR 21 HB2 TYR 21 6.588 -8.112 -5.277 153 2HB TYR 21 HB1 TYR 21 6.310 -7.556 -3.626 154 HD1 TYR 21 HD1 TYR 21 5.346 -6.910 -7.174 155 HD2 TYR 21 HD2 TYR 21 4.292 -6.480 -3.032 156 HE1 TYR 21 HE1 TYR 21 3.113 -6.059 -7.832 157 HE2 TYR 21 HE2 TYR 21 2.056 -5.631 -3.691 158 HH TYR 21 HH TYR 21 1.327 -4.612 -6.813 159 H CYS 22 HN CYS 22 7.589 -5.593 -2.416 160 HA CYS 22 HA CYS 22 5.673 -3.464 -2.225 161 1HB CYS 22 HB2 CYS 22 7.309 -4.971 -0.468 162 2HB CYS 22 HB1 CYS 22 7.654 -3.268 -0.192 163 H ASN 23 HN ASN 23 9.231 -3.451 -2.444 164 HA ASN 23 HA ASN 23 9.506 -0.602 -2.222 165 1HB ASN 23 HB2 ASN 23 11.369 -2.284 -2.022 166 2HB ASN 23 HB1 ASN 23 11.269 -2.562 -3.748 167 1HD2 ASN 23 HD22 ASN 23 13.238 0.232 -4.517 168 2HD2 ASN 23 HD21 ASN 23 12.565 -1.247 -5.007 169 H ASP 24 HN ASP 24 9.771 -2.649 -5.111 170 HA ASP 24 HA ASP 24 9.787 -0.606 -7.042 171 1HB ASP 24 HB2 ASP 24 10.020 -3.152 -7.347 172 2HB ASP 24 HB1 ASP 24 8.265 -3.183 -7.419 173 H LEU 25 HN LEU 25 6.874 -2.513 -6.242 174 HA LEU 25 HA LEU 25 4.980 -0.908 -7.486 175 1HB LEU 25 HB2 LEU 25 4.277 -2.974 -6.488 176 2HB LEU 25 HB1 LEU 25 4.794 -2.450 -4.887 177 HG LEU 25 HG LEU 25 3.017 -0.458 -5.695 178 1HD1 LEU 25 HD12 LEU 25 2.523 -2.650 -7.344 179 2HD1 LEU 25 HD11 LEU 25 1.320 -2.799 -6.064 180 3HD1 LEU 25 HD13 LEU 25 1.410 -1.320 -7.022 181 1HD2 LEU 25 HD22 LEU 25 3.062 -2.743 -3.801 182 2HD2 LEU 25 HD21 LEU 25 2.748 -1.034 -3.496 183 3HD2 LEU 25 HD23 LEU 25 1.470 -2.063 -4.141 184 H CYS 26 HN CYS 26 6.521 -0.413 -4.348 185 HA CYS 26 HA CYS 26 4.927 1.748 -3.472 186 1HB CYS 26 HB2 CYS 26 7.583 0.578 -2.828 187 2HB CYS 26 HB1 CYS 26 7.282 2.194 -2.240 188 H LEU 27 HN LEU 27 7.891 1.642 -5.398 189 HA LEU 27 HA LEU 27 8.256 4.449 -5.528 190 1HB LEU 27 HB2 LEU 27 10.110 3.932 -6.745 191 2HB LEU 27 HB1 LEU 27 9.744 2.281 -6.259 192 HG LEU 27 HG LEU 27 8.146 2.508 -8.431 193 1HD1 LEU 27 HD12 LEU 27 10.096 4.670 -8.569 194 2HD1 LEU 27 HD11 LEU 27 10.234 3.578 -9.947 195 3HD1 LEU 27 HD13 LEU 27 8.695 4.367 -9.596 196 1HD2 LEU 27 HD22 LEU 27 10.366 1.061 -7.673 197 2HD2 LEU 27 HD21 LEU 27 9.490 0.835 -9.186 198 3HD2 LEU 27 HD23 LEU 27 10.927 1.856 -9.144 199 H GLU 28 HN GLU 28 6.212 2.226 -7.218 200 HA GLU 28 HA GLU 28 5.572 3.940 -9.424 201 1HB GLU 28 HB2 GLU 28 5.220 1.364 -9.151 202 2HB GLU 28 HB1 GLU 28 3.711 1.834 -8.369 203 1HG GLU 28 HG2 GLU 28 2.874 2.856 -10.320 204 2HG GLU 28 HG1 GLU 28 4.473 2.971 -11.054 205 NH1 ARG 29 NH2 ARG 29 -1.485 4.067 -6.136 206 NH2 ARG 29 NH1 ARG 29 -1.035 3.724 -8.321 207 H ARG 29 HN ARG 29 4.331 3.454 -6.219 208 HA ARG 29 HA ARG 29 1.986 5.106 -6.597 209 1HB ARG 29 HB2 ARG 29 2.978 3.332 -4.589 210 2HB ARG 29 HB1 ARG 29 2.639 4.890 -3.836 211 1HG ARG 29 HG2 ARG 29 0.523 3.986 -3.729 212 2HG ARG 29 HG1 ARG 29 0.435 4.699 -5.338 213 1HD ARG 29 HD2 ARG 29 1.630 2.030 -5.339 214 2HD ARG 29 HD1 ARG 29 -0.024 2.030 -4.734 215 HE ARG 29 HE ARG 29 0.710 2.230 -7.461 216 1HH1 ARG 29 HH21 ARG 29 -1.307 3.874 -5.173 217 2HH1 ARG 29 HH22 ARG 29 -2.228 4.686 -6.391 218 1HH2 ARG 29 HH11 ARG 29 -0.504 3.271 -9.037 219 2HH2 ARG 29 HH12 ARG 29 -1.785 4.338 -8.568 220 H LYS 30 HN LYS 30 5.184 5.837 -6.454 221 HA LYS 30 HA LYS 30 6.148 8.011 -6.445 222 1HB LYS 30 HB2 LYS 30 3.893 9.064 -6.630 223 2HB LYS 30 HB1 LYS 30 3.704 8.906 -4.884 224 1HG LYS 30 HG2 LYS 30 6.234 10.160 -5.716 225 2HG LYS 30 HG1 LYS 30 4.788 11.093 -6.106 226 1HD LYS 30 HD2 LYS 30 4.631 9.951 -3.428 227 2HD LYS 30 HD1 LYS 30 6.052 10.981 -3.611 228 1HE LYS 30 HE2 LYS 30 3.450 11.973 -4.704 229 2HE LYS 30 HE1 LYS 30 3.687 12.014 -2.956 230 1HZ LYS 30 HZ1 LYS 30 5.924 12.972 -4.521 231 2HZ LYS 30 HZ3 LYS 30 4.523 13.922 -4.636 232 3HZ LYS 30 HZ2 LYS 30 5.221 13.619 -3.116 233 H ALA 31 HN ALA 31 5.596 5.843 -4.113 234 HA ALA 31 HA ALA 31 6.583 7.403 -1.832 235 1HB ALA 31 HB2 ALA 31 5.946 4.482 -2.245 236 2HB ALA 31 HB1 ALA 31 6.702 5.077 -0.766 237 3HB ALA 31 HB3 ALA 31 5.099 5.648 -1.228 238 H ASP 32 HN ASP 32 8.650 7.158 -0.920 239 HA ASP 32 HA ASP 32 10.809 6.789 -2.722 240 1HB ASP 32 HB2 ASP 32 10.572 8.032 -0.387 241 2HB ASP 32 HB1 ASP 32 11.172 6.501 0.224 242 H LYS 33 HN LYS 33 9.619 4.798 -0.014 243 HA LYS 33 HA LYS 33 10.458 2.357 -1.443 244 1HB LYS 33 HB2 LYS 33 11.804 1.578 0.557 245 2HB LYS 33 HB1 LYS 33 12.543 2.892 -0.361 246 1HG LYS 33 HG2 LYS 33 12.742 3.804 1.739 247 2HG LYS 33 HG1 LYS 33 11.109 4.360 1.372 248 1HD LYS 33 HD2 LYS 33 10.204 2.309 2.469 249 2HD LYS 33 HD1 LYS 33 11.850 1.864 2.925 250 1HE LYS 33 HE2 LYS 33 10.783 4.581 3.645 251 2HE LYS 33 HE1 LYS 33 10.371 3.182 4.637 252 1HZ LYS 33 HZ2 LYS 33 13.136 3.193 4.012 253 2HZ LYS 33 HZ1 LYS 33 12.692 4.664 4.738 254 3HZ LYS 33 HZ3 LYS 33 12.380 3.199 5.533 255 H GLY 34 HN GLY 34 10.016 0.393 0.199 256 1HA GLY 34 HA2 GLY 34 8.096 0.739 2.290 257 2HA GLY 34 HA1 GLY 34 7.248 0.378 0.794 258 OH TYR 35 OH TYR 35 6.895 -0.331 8.244 259 H TYR 35 HN TYR 35 7.458 -1.341 3.194 260 HA TYR 35 HA TYR 35 8.914 -3.625 1.920 261 1HB TYR 35 HB2 TYR 35 8.956 -4.555 4.323 262 2HB TYR 35 HB1 TYR 35 10.088 -3.284 3.905 263 HD1 TYR 35 HD1 TYR 35 6.497 -3.502 5.009 264 HD2 TYR 35 HD2 TYR 35 10.323 -1.620 5.534 265 HE1 TYR 35 HE1 TYR 35 5.566 -2.123 6.837 266 HE2 TYR 35 HE2 TYR 35 9.387 -0.239 7.367 267 HH TYR 35 HH TYR 35 6.164 0.180 7.891 268 H CYS 36 HN CYS 36 8.034 -5.723 2.363 269 HA CYS 36 HA CYS 36 5.090 -5.707 2.239 270 1HB CYS 36 HB2 CYS 36 6.152 -7.024 0.581 271 2HB CYS 36 HB1 CYS 36 7.250 -7.744 1.740 272 OH TYR 37 OH TYR 37 3.008 -7.591 12.162 273 H TYR 37 HN TYR 37 4.140 -5.679 4.242 274 HA TYR 37 HA TYR 37 5.397 -7.217 6.441 275 1HB TYR 37 HB2 TYR 37 4.646 -4.909 6.900 276 2HB TYR 37 HB1 TYR 37 3.001 -5.351 6.446 277 HD1 TYR 37 HD1 TYR 37 5.759 -6.593 8.670 278 HD2 TYR 37 HD2 TYR 37 1.544 -5.937 8.174 279 HE1 TYR 37 HE1 TYR 37 5.362 -7.411 10.976 280 HE2 TYR 37 HE2 TYR 37 1.147 -6.755 10.481 281 HH TYR 37 HH TYR 37 3.648 -7.171 12.741 282 CH2 TRP 38 CH2 TRP 38 3.129 -15.364 2.039 283 H TRP 38 HN TRP 38 4.877 -9.348 6.331 284 HA TRP 38 HA TRP 38 2.413 -10.322 5.172 285 1HB TRP 38 HB2 TRP 38 4.804 -11.526 6.475 286 2HB TRP 38 HB1 TRP 38 3.326 -12.488 6.491 287 HD1 TRP 38 HD1 TRP 38 5.164 -10.341 3.828 288 HE1 TRP 38 HE1 TRP 38 5.134 -11.653 1.609 289 HE3 TRP 38 HE3 TRP 38 2.618 -14.519 5.303 290 HZ2 TRP 38 HZ2 TRP 38 4.162 -14.146 0.594 291 HZ3 TRP 38 HZ3 TRP 38 2.158 -16.344 3.692 292 HH2 TRP 38 HH2 TRP 38 2.926 -16.164 1.342 293 H GLY 39 HN GLY 39 3.076 -11.951 8.147 294 1HA GLY 39 HA2 GLY 39 1.562 -12.358 9.911 295 2HA GLY 39 HA1 GLY 39 1.669 -10.604 10.101 296 H LYS 40 HN LYS 40 0.400 -12.093 7.196 297 HA LYS 40 HA LYS 40 -1.743 -12.005 6.242 298 1HB LYS 40 HB2 LYS 40 -2.133 -12.652 9.017 299 2HB LYS 40 HB1 LYS 40 -3.408 -11.543 8.509 300 1HG LYS 40 HG2 LYS 40 -2.827 -13.619 6.517 301 2HG LYS 40 HG1 LYS 40 -3.395 -14.273 8.054 302 1HD LYS 40 HD2 LYS 40 -5.474 -13.333 7.842 303 2HD LYS 40 HD1 LYS 40 -4.856 -11.903 7.016 304 1HE LYS 40 HE2 LYS 40 -4.419 -13.377 5.003 305 2HE LYS 40 HE1 LYS 40 -5.312 -14.652 5.833 306 1HZ LYS 40 HZ2 LYS 40 -6.397 -11.943 5.289 307 2HZ LYS 40 HZ1 LYS 40 -6.683 -13.297 4.303 308 3HZ LYS 40 HZ3 LYS 40 -7.244 -13.281 5.903 309 H VAL 41 HN VAL 41 -0.411 -9.726 6.006 310 HA VAL 41 HA VAL 41 -2.427 -7.637 6.689 311 HB VAL 41 HB VAL 41 0.578 -7.243 6.734 312 1HG1 VAL 41 HG13 VAL 41 -1.335 -5.374 6.300 313 2HG1 VAL 41 HG12 VAL 41 -1.328 -5.394 8.063 314 3HG1 VAL 41 HG11 VAL 41 0.156 -5.036 7.181 315 1HG2 VAL 41 HG21 VAL 41 -1.207 -8.388 8.687 316 2HG2 VAL 41 HG23 VAL 41 0.531 -8.113 8.811 317 3HG2 VAL 41 HG22 VAL 41 -0.598 -6.844 9.284 318 H SER 42 HN SER 42 0.344 -6.391 5.115 319 HA SER 42 HA SER 42 -0.305 -7.102 2.400 320 1HB SER 42 HB2 SER 42 -1.032 -4.321 2.486 321 2HB SER 42 HB1 SER 42 -1.963 -5.687 1.877 322 HG SER 42 HG SER 42 -1.790 -4.743 4.550 323 H CYS 43 HN CYS 43 0.374 -4.764 1.093 324 HA CYS 43 HA CYS 43 3.256 -4.599 1.658 325 1HB CYS 43 HB2 CYS 43 1.554 -4.230 -0.613 326 2HB CYS 43 HB1 CYS 43 2.408 -2.713 -0.335 327 OH TYR 44 OH TYR 44 2.408 3.187 7.939 328 H TYR 44 HN TYR 44 4.332 -2.626 2.214 329 HA TYR 44 HA TYR 44 2.588 -0.405 3.189 330 1HB TYR 44 HB2 TYR 44 3.672 -2.003 4.959 331 2HB TYR 44 HB1 TYR 44 5.161 -1.148 4.570 332 HD1 TYR 44 HD2 TYR 44 1.720 -0.783 5.836 333 HD2 TYR 44 HD1 TYR 44 5.510 1.170 5.280 334 HE1 TYR 44 HE2 TYR 44 0.980 1.059 7.296 335 HE2 TYR 44 HE1 TYR 44 4.766 3.012 6.749 336 HH TYR 44 HH TYR 44 1.709 2.850 8.505 337 H CYS 45 HN CYS 45 3.201 1.558 2.318 338 HA CYS 45 HA CYS 45 5.870 1.643 1.000 339 1HB CYS 45 HB2 CYS 45 3.349 3.216 0.505 340 2HB CYS 45 HB1 CYS 45 4.902 3.695 -0.168 341 OH TYR 46 OH TYR 46 7.417 1.900 7.978 342 H TYR 46 HN TYR 46 6.606 4.046 0.812 343 HA TYR 46 HA TYR 46 6.289 5.552 3.335 344 1HB TYR 46 HB2 TYR 46 8.782 4.132 2.437 345 2HB TYR 46 HB1 TYR 46 8.916 5.627 3.357 346 HD1 TYR 46 HD2 TYR 46 7.809 5.760 5.617 347 HD2 TYR 46 HD1 TYR 46 8.240 2.073 3.499 348 HE1 TYR 46 HE2 TYR 46 7.431 4.524 7.725 349 HE2 TYR 46 HE1 TYR 46 7.866 0.815 5.606 350 HH TYR 46 HH TYR 46 8.261 1.543 8.265 351 H GLY 47 HN GLY 47 5.481 7.254 1.983 352 1HA GLY 47 HA2 GLY 47 6.670 9.394 1.140 353 2HA GLY 47 HA1 GLY 47 7.402 8.319 -0.046 354 H LEU 48 HN LEU 48 4.116 7.686 0.884 355 HA LEU 48 HA LEU 48 3.196 8.036 -1.835 356 1HB LEU 48 HB2 LEU 48 1.553 7.746 0.698 357 2HB LEU 48 HB1 LEU 48 1.010 7.427 -0.949 358 HG LEU 48 HG LEU 48 3.263 5.947 0.451 359 1HD1 LEU 48 HD13 LEU 48 0.331 5.406 0.092 360 2HD1 LEU 48 HD12 LEU 48 1.462 4.053 0.112 361 3HD1 LEU 48 HD11 LEU 48 1.351 5.131 1.504 362 1HD2 LEU 48 HD23 LEU 48 3.352 6.188 -2.082 363 2HD2 LEU 48 HD22 LEU 48 3.285 4.528 -1.489 364 3HD2 LEU 48 HD21 LEU 48 1.833 5.290 -2.140 365 HA PRO 49 HA PRO 49 2.029 12.236 -2.041 366 1HB PRO 49 HB2 PRO 49 -0.722 11.658 -2.797 367 2HB PRO 49 HB1 PRO 49 0.591 12.292 -3.799 368 1HG PRO 49 HG2 PRO 49 -0.506 9.663 -3.896 369 2HG PRO 49 HG1 PRO 49 0.928 10.246 -4.754 370 1HD PRO 49 HD2 PRO 49 0.812 8.418 -2.508 371 2HD PRO 49 HD1 PRO 49 2.239 8.945 -3.422 372 H ASP 50 HN ASP 50 0.811 13.842 -0.882 373 HA ASP 50 HA ASP 50 0.115 13.248 1.757 374 1HB ASP 50 HB2 ASP 50 0.006 15.537 0.004 375 2HB ASP 50 HB1 ASP 50 -1.394 15.482 1.068 376 H ASN 51 HN ASN 51 -2.186 14.155 -0.765 377 HA ASN 51 HA ASN 51 -4.429 13.198 0.703 378 1HB ASN 51 HB2 ASN 51 -5.577 13.535 -1.543 379 2HB ASN 51 HB1 ASN 51 -4.803 14.954 -0.856 380 1HD2 ASN 51 HD22 ASN 51 -3.565 15.023 -4.267 381 2HD2 ASN 51 HD21 ASN 51 -4.927 15.468 -3.359 382 H SER 52 HN SER 52 -2.028 11.503 -0.843 383 HA SER 52 HA SER 52 -3.238 9.520 -2.382 384 1HB SER 52 HB2 SER 52 -0.783 9.706 -1.853 385 2HB SER 52 HB1 SER 52 -1.121 8.993 -0.280 386 HG SER 52 HG SER 52 -2.268 7.351 -1.779 387 HA PRO 53 HA PRO 53 -6.181 8.100 0.728 388 1HB PRO 53 HB2 PRO 53 -7.180 6.235 -1.218 389 2HB PRO 53 HB1 PRO 53 -7.934 7.737 -0.663 390 1HG PRO 53 HG2 PRO 53 -6.715 7.231 -3.221 391 2HG PRO 53 HG1 PRO 53 -7.438 8.738 -2.648 392 1HD PRO 53 HD2 PRO 53 -4.632 8.137 -3.013 393 2HD PRO 53 HD1 PRO 53 -5.367 9.666 -2.494 394 H THR 54 HN THR 54 -5.881 6.414 2.150 395 HA THR 54 HA THR 54 -4.438 3.994 1.159 396 HB THR 54 HB THR 54 -3.110 3.954 3.185 397 HG1 THR 54 HG1 THR 54 -3.432 5.438 4.792 398 1HG2 THR 54 HG21 THR 54 -2.685 5.641 1.184 399 2HG2 THR 54 HG23 THR 54 -2.990 6.846 2.434 400 3HG2 THR 54 HG22 THR 54 -1.676 5.686 2.630 401 H LYS 55 HN LYS 55 -4.694 2.149 2.828 402 HA LYS 55 HA LYS 55 -7.308 1.330 3.079 403 1HB LYS 55 HB2 LYS 55 -5.500 -0.190 3.590 404 2HB LYS 55 HB1 LYS 55 -5.009 0.788 4.972 405 1HG LYS 55 HG2 LYS 55 -6.374 -1.259 5.563 406 2HG LYS 55 HG1 LYS 55 -7.033 0.263 6.162 407 1HD LYS 55 HD2 LYS 55 -8.829 -1.072 5.173 408 2HD LYS 55 HD1 LYS 55 -8.540 0.358 4.179 409 1HE LYS 55 HE2 LYS 55 -7.155 -0.971 2.642 410 2HE LYS 55 HE1 LYS 55 -7.396 -2.401 3.646 411 1HZ LYS 55 HZ2 LYS 55 -9.904 -1.725 3.270 412 2HZ LYS 55 HZ1 LYS 55 -9.260 -1.058 1.847 413 3HZ LYS 55 HZ3 LYS 55 -9.065 -2.711 2.171 414 H THR 56 HN THR 56 -9.039 2.209 4.109 415 HA THR 56 HA THR 56 -8.527 3.773 6.603 416 HB THR 56 HB THR 56 -10.660 4.151 4.491 417 HG1 THR 56 HG1 THR 56 -9.016 6.184 5.407 418 1HG2 THR 56 HG21 THR 56 -10.736 4.713 7.303 419 2HG2 THR 56 HG23 THR 56 -10.663 6.239 6.423 420 3HG2 THR 56 HG22 THR 56 -11.950 5.082 6.079 421 H SER 57 HN SER 57 -11.704 2.931 5.492 422 HA SER 57 HA SER 57 -11.871 0.748 7.451 423 1HB SER 57 HB2 SER 57 -14.196 1.814 8.059 424 2HB SER 57 HB1 SER 57 -12.732 2.413 8.833 425 HG SER 57 HG SER 57 -14.448 3.664 7.151 426 H GLY 58 HN GLY 58 -11.763 0.217 4.801 427 1HA GLY 58 HA2 GLY 58 -14.580 -0.548 4.192 428 2HA GLY 58 HA1 GLY 58 -13.596 0.206 2.937 429 H LYS 59 HN LYS 59 -14.419 -2.149 2.150 430 HA LYS 59 HA LYS 59 -12.181 -4.046 2.742 431 1HB LYS 59 HB2 LYS 59 -13.859 -5.819 1.978 432 2HB LYS 59 HB1 LYS 59 -14.196 -5.056 3.532 433 1HG LYS 59 HG2 LYS 59 -16.053 -3.979 2.752 434 2HG LYS 59 HG1 LYS 59 -15.339 -3.689 1.164 435 1HD LYS 59 HD2 LYS 59 -17.162 -5.266 0.896 436 2HD LYS 59 HD1 LYS 59 -15.642 -6.130 0.654 437 1HE LYS 59 HE2 LYS 59 -17.001 -7.496 2.096 438 2HE LYS 59 HE1 LYS 59 -15.740 -6.782 3.102 439 1HZ LYS 59 HZ3 LYS 59 -17.597 -4.914 3.297 440 2HZ LYS 59 HZ2 LYS 59 -18.603 -6.264 3.061 441 3HZ LYS 59 HZ1 LYS 59 -17.509 -6.232 4.361 442 H CYS 60 HN CYS 60 -12.041 -1.987 0.729 443 HA CYS 60 HA CYS 60 -11.462 -1.767 -1.539 444 1HB CYS 60 HB2 CYS 60 -9.894 -3.554 -1.125 445 2HB CYS 60 HB1 CYS 60 -11.177 -4.763 -1.171 446 H ASN 61 HN ASN 61 -13.655 -1.072 -2.052 447 HA ASN 61 HA ASN 61 -15.006 -2.958 -3.882 448 1HB ASN 61 HB2 ASN 61 -15.947 -2.995 -1.384 449 2HB ASN 61 HB1 ASN 61 -16.782 -1.543 -1.935 450 1HD2 ASN 61 HD22 ASN 61 -19.249 -3.484 -3.508 451 2HD2 ASN 61 HD21 ASN 61 -18.855 -2.104 -2.602 452 HA PRO 62 HA PRO 62 -14.693 1.370 -5.434 453 1HB PRO 62 HB2 PRO 62 -14.704 0.215 -8.072 454 2HB PRO 62 HB1 PRO 62 -13.362 1.012 -7.240 455 1HG PRO 62 HG2 PRO 62 -13.673 -1.803 -7.779 456 2HG PRO 62 HG1 PRO 62 -12.336 -1.001 -6.943 457 1HD PRO 62 HD2 PRO 62 -14.395 -2.658 -5.792 458 2HD PRO 62 HD1 PRO 62 -13.055 -1.846 -4.957 459 H ALA 63 HN ALA 63 -16.385 2.580 -6.436 460 HA ALA 63 HA ALA 63 -19.031 1.640 -6.194 461 1HB ALA 63 HB2 ALA 63 -17.835 3.862 -7.859 462 2HB ALA 63 HB1 ALA 63 -19.571 3.554 -7.824 463 3HB ALA 63 HB3 ALA 63 -18.724 3.995 -6.342 Start of MODEL 13 Raw file had 463 H/Q atoms Start of MODEL 13 1 1H LYS 1 HT1 LYS 1 3.944 13.813 2.966 2 2H LYS 1 HT3 LYS 1 5.598 13.489 3.160 3 3H LYS 1 HT2 LYS 1 5.009 14.023 1.659 4 HA LYS 1 HA LYS 1 3.951 12.011 1.198 5 1HB LYS 1 HB2 LYS 1 6.584 11.525 2.612 6 2HB LYS 1 HB1 LYS 1 5.757 10.307 1.640 7 1HG LYS 1 HG2 LYS 1 7.023 11.197 -0.044 8 2HG LYS 1 HG1 LYS 1 5.719 12.384 -0.096 9 1HD LYS 1 HD2 LYS 1 7.880 13.535 -0.010 10 2HD LYS 1 HD1 LYS 1 6.994 13.815 1.490 11 1HE LYS 1 HE2 LYS 1 8.651 11.398 1.575 12 2HE LYS 1 HE1 LYS 1 9.589 12.870 1.322 13 1HZ LYS 1 HZ1 LYS 1 7.504 13.061 3.321 14 2HZ LYS 1 HZ3 LYS 1 8.774 12.009 3.714 15 3HZ LYS 1 HZ2 LYS 1 9.103 13.637 3.355 16 H LYS 2 HN LYS 2 4.118 9.523 2.303 17 HA LYS 2 HA LYS 2 3.508 9.458 5.117 18 1HB LYS 2 HB2 LYS 2 1.458 10.556 4.531 19 2HB LYS 2 HB1 LYS 2 1.196 9.469 3.166 20 1HG LYS 2 HG2 LYS 2 1.555 8.012 5.670 21 2HG LYS 2 HG1 LYS 2 0.190 9.128 5.743 22 1HD LYS 2 HD2 LYS 2 0.633 7.173 3.472 23 2HD LYS 2 HD1 LYS 2 -0.397 6.835 4.864 24 1HE LYS 2 HE2 LYS 2 -2.081 8.028 3.967 25 2HE LYS 2 HE1 LYS 2 -1.034 9.436 3.789 26 1HZ LYS 2 HZ2 LYS 2 -0.759 7.205 1.904 27 2HZ LYS 2 HZ1 LYS 2 -2.054 8.289 1.709 28 3HZ LYS 2 HZ3 LYS 2 -0.457 8.860 1.669 29 H ASP 3 HN ASP 3 3.317 7.327 5.865 30 HA ASP 3 HA ASP 3 3.994 5.223 3.885 31 1HB ASP 3 HB2 ASP 3 3.723 4.753 6.835 32 2HB ASP 3 HB1 ASP 3 4.863 4.033 5.697 33 H GLY 4 HN GLY 4 2.534 3.462 3.490 34 1HA GLY 4 HA2 GLY 4 0.392 2.677 5.129 35 2HA GLY 4 HA1 GLY 4 -0.248 3.954 4.103 36 OH TYR 5 OH TYR 5 0.230 -3.411 6.722 37 H TYR 5 HN TYR 5 -1.553 1.795 3.662 38 HA TYR 5 HA TYR 5 -0.253 0.118 1.596 39 1HB TYR 5 HB2 TYR 5 -3.031 0.008 2.814 40 2HB TYR 5 HB1 TYR 5 -2.385 -1.157 1.662 41 HD1 TYR 5 HD2 TYR 5 0.105 -2.020 2.387 42 HD2 TYR 5 HD1 TYR 5 -2.963 -0.624 5.046 43 HE1 TYR 5 HE2 TYR 5 1.129 -3.310 4.239 44 HE2 TYR 5 HE1 TYR 5 -1.937 -1.910 6.901 45 HH TYR 5 HH TYR 5 0.578 -2.786 7.362 46 HA PRO 6 HA PRO 6 -1.880 3.158 -1.314 47 1HB PRO 6 HB2 PRO 6 -0.954 1.422 -3.432 48 2HB PRO 6 HB1 PRO 6 -0.286 2.978 -2.917 49 1HG PRO 6 HG2 PRO 6 0.839 0.368 -2.487 50 2HG PRO 6 HG1 PRO 6 1.477 1.921 -1.932 51 1HD PRO 6 HD2 PRO 6 0.243 -0.150 -0.348 52 2HD PRO 6 HD1 PRO 6 0.887 1.410 0.207 53 H VAL 7 HN VAL 7 -4.064 3.077 -1.734 54 HA VAL 7 HA VAL 7 -5.200 0.446 -2.590 55 HB VAL 7 HB VAL 7 -7.350 1.252 -1.708 56 1HG1 VAL 7 HG11 VAL 7 -4.975 0.680 -0.186 57 2HG1 VAL 7 HG13 VAL 7 -6.006 1.786 0.723 58 3HG1 VAL 7 HG12 VAL 7 -6.645 0.239 0.168 59 1HG2 VAL 7 HG21 VAL 7 -6.767 3.705 -2.098 60 2HG2 VAL 7 HG23 VAL 7 -7.556 3.346 -0.562 61 3HG2 VAL 7 HG22 VAL 7 -5.816 3.620 -0.616 62 H ASP 8 HN ASP 8 -6.400 0.377 -4.492 63 HA ASP 8 HA ASP 8 -5.954 2.377 -6.469 64 1HB ASP 8 HB2 ASP 8 -7.497 1.141 -7.857 65 2HB ASP 8 HB1 ASP 8 -6.577 -0.028 -6.910 66 H SER 9 HN SER 9 -8.515 2.808 -7.620 67 HA SER 9 HA SER 9 -9.392 5.078 -6.018 68 1HB SER 9 HB2 SER 9 -11.248 5.006 -7.923 69 2HB SER 9 HB1 SER 9 -9.616 5.572 -8.261 70 HG SER 9 HG SER 9 -10.927 3.429 -9.231 71 H GLY 10 HN GLY 10 -9.959 1.932 -5.492 72 1HA GLY 10 HA2 GLY 10 -12.805 2.381 -4.702 73 2HA GLY 10 HA1 GLY 10 -12.146 0.795 -5.109 74 H ASN 11 HN ASN 11 -9.750 2.371 -3.478 75 HA ASN 11 HA ASN 11 -9.047 2.410 -1.236 76 1HB ASN 11 HB2 ASN 11 -11.852 2.550 -1.021 77 2HB ASN 11 HB1 ASN 11 -11.365 1.235 0.048 78 1HD2 ASN 11 HD22 ASN 11 -10.229 3.471 2.497 79 2HD2 ASN 11 HD21 ASN 11 -10.879 1.951 2.111 80 H CYS 12 HN CYS 12 -8.648 0.239 -2.990 81 HA CYS 12 HA CYS 12 -8.754 -2.083 -1.129 82 1HB CYS 12 HB2 CYS 12 -8.687 -1.950 -4.154 83 2HB CYS 12 HB1 CYS 12 -8.538 -3.436 -3.230 84 H LYS 13 HN LYS 13 -6.792 -2.188 -0.154 85 HA LYS 13 HA LYS 13 -4.357 -1.109 -1.207 86 1HB LYS 13 HB2 LYS 13 -3.288 -2.443 0.626 87 2HB LYS 13 HB1 LYS 13 -4.647 -1.467 1.183 88 1HG LYS 13 HG2 LYS 13 -5.440 -4.135 0.243 89 2HG LYS 13 HG1 LYS 13 -4.356 -4.178 1.633 90 1HD LYS 13 HD2 LYS 13 -6.022 -2.217 2.445 91 2HD LYS 13 HD1 LYS 13 -7.135 -3.134 1.429 92 1HE LYS 13 HE2 LYS 13 -5.715 -5.063 2.908 93 2HE LYS 13 HE1 LYS 13 -6.115 -3.789 4.060 94 1HZ LYS 13 HZ2 LYS 13 -8.427 -3.922 2.929 95 2HZ LYS 13 HZ1 LYS 13 -7.914 -5.469 2.451 96 3HZ LYS 13 HZ3 LYS 13 -7.999 -5.078 4.099 97 OH TYR 14 OH TYR 14 -3.907 0.911 -6.976 98 H TYR 14 HN TYR 14 -2.644 -2.103 -2.323 99 HA TYR 14 HA TYR 14 -3.320 -4.552 -3.786 100 1HB TYR 14 HB2 TYR 14 -0.623 -3.156 -3.735 101 2HB TYR 14 HB1 TYR 14 -1.254 -4.239 -4.975 102 HD1 TYR 14 HD2 TYR 14 -4.116 -3.182 -4.982 103 HD2 TYR 14 HD1 TYR 14 -0.314 -1.186 -5.115 104 HE1 TYR 14 HE2 TYR 14 -5.160 -1.272 -6.170 105 HE2 TYR 14 HE1 TYR 14 -1.360 0.723 -6.303 106 HH TYR 14 HH TYR 14 -3.937 0.696 -7.911 107 H GLU 15 HN GLU 15 -2.609 -6.597 -3.314 108 HA GLU 15 HA GLU 15 -1.696 -7.232 -0.694 109 1HB GLU 15 HB2 GLU 15 -1.097 -9.482 -1.855 110 2HB GLU 15 HB1 GLU 15 -2.786 -8.975 -1.807 111 1HG GLU 15 HG2 GLU 15 -2.777 -8.302 -4.062 112 2HG GLU 15 HG1 GLU 15 -1.016 -8.220 -4.123 113 H CYS 16 HN CYS 16 0.375 -8.841 -0.611 114 HA CYS 16 HA CYS 16 2.645 -7.824 -2.153 115 1HB CYS 16 HB2 CYS 16 3.902 -6.944 -0.324 116 2HB CYS 16 HB1 CYS 16 2.314 -6.187 -0.229 117 H LEU 17 HN LEU 17 4.704 -9.006 -1.437 118 HA LEU 17 HA LEU 17 4.226 -11.522 0.037 119 1HB LEU 17 HB2 LEU 17 5.148 -11.487 -2.857 120 2HB LEU 17 HB1 LEU 17 5.091 -12.914 -1.822 121 HG LEU 17 HG LEU 17 2.685 -11.201 -2.498 122 1HD1 LEU 17 HD12 LEU 17 4.052 -13.021 -4.143 123 2HD1 LEU 17 HD11 LEU 17 2.670 -13.919 -3.515 124 3HD1 LEU 17 HD13 LEU 17 2.416 -12.406 -4.384 125 1HD2 LEU 17 HD23 LEU 17 2.604 -12.447 -0.342 126 2HD2 LEU 17 HD22 LEU 17 1.426 -13.052 -1.506 127 3HD2 LEU 17 HD21 LEU 17 2.921 -13.943 -1.219 128 H LYS 18 HN LYS 18 6.596 -9.968 -2.154 129 HA LYS 18 HA LYS 18 8.713 -10.663 -0.169 130 1HB LYS 18 HB2 LYS 18 8.581 -10.891 -3.007 131 2HB LYS 18 HB1 LYS 18 9.789 -9.662 -2.631 132 1HG LYS 18 HG2 LYS 18 11.221 -11.341 -2.182 133 2HG LYS 18 HG1 LYS 18 10.243 -11.693 -0.757 134 1HD LYS 18 HD2 LYS 18 8.755 -13.094 -2.276 135 2HD LYS 18 HD1 LYS 18 10.000 -12.920 -3.514 136 1HE LYS 18 HE2 LYS 18 10.619 -14.926 -2.471 137 2HE LYS 18 HE1 LYS 18 11.622 -13.741 -1.633 138 1HZ LYS 18 HZ3 LYS 18 9.208 -13.785 -0.298 139 2HZ LYS 18 HZ2 LYS 18 9.592 -15.415 -0.589 140 3HZ LYS 18 HZ1 LYS 18 10.687 -14.417 0.241 141 H ASP 19 HN ASP 19 10.122 -9.023 0.551 142 HA ASP 19 HA ASP 19 9.087 -6.432 0.928 143 1HB ASP 19 HB2 ASP 19 10.954 -7.306 2.259 144 2HB ASP 19 HB1 ASP 19 11.988 -7.319 0.831 145 H ASP 20 HN ASP 20 11.061 -7.730 -1.703 146 HA ASP 20 HA ASP 20 11.595 -5.193 -2.952 147 1HB ASP 20 HB2 ASP 20 12.666 -6.470 -4.564 148 2HB ASP 20 HB1 ASP 20 12.698 -7.585 -3.213 149 OH TYR 21 OH TYR 21 1.439 -6.207 -6.149 150 H TYR 21 HN TYR 21 8.996 -7.623 -3.304 151 HA TYR 21 HA TYR 21 7.802 -6.567 -5.652 152 1HB TYR 21 HB2 TYR 21 6.926 -8.632 -4.787 153 2HB TYR 21 HB1 TYR 21 6.568 -7.899 -3.224 154 HD1 TYR 21 HD1 TYR 21 5.955 -6.488 -6.630 155 HD2 TYR 21 HD2 TYR 21 4.205 -8.080 -3.049 156 HE1 TYR 21 HE1 TYR 21 3.712 -5.827 -7.437 157 HE2 TYR 21 HE2 TYR 21 1.956 -7.420 -3.857 158 HH TYR 21 HH TYR 21 1.441 -5.254 -6.274 159 H CYS 22 HN CYS 22 7.773 -5.464 -2.326 160 HA CYS 22 HA CYS 22 5.684 -3.473 -2.826 161 1HB CYS 22 HB2 CYS 22 7.555 -3.840 -0.472 162 2HB CYS 22 HB1 CYS 22 6.188 -2.723 -0.524 163 H ASN 23 HN ASN 23 9.132 -3.154 -1.849 164 HA ASN 23 HA ASN 23 9.521 -0.448 -2.202 165 1HB ASN 23 HB2 ASN 23 11.211 -2.353 -1.757 166 2HB ASN 23 HB1 ASN 23 11.347 -2.479 -3.485 167 1HD2 ASN 23 HD22 ASN 23 12.474 1.109 -1.870 168 2HD2 ASN 23 HD21 ASN 23 11.118 0.287 -1.270 169 H ASP 24 HN ASP 24 9.084 -2.907 -4.612 170 HA ASP 24 HA ASP 24 9.535 -1.220 -6.940 171 1HB ASP 24 HB2 ASP 24 9.656 -3.725 -6.976 172 2HB ASP 24 HB1 ASP 24 7.915 -3.781 -6.747 173 H LEU 25 HN LEU 25 6.466 -2.839 -6.124 174 HA LEU 25 HA LEU 25 4.700 -1.157 -7.454 175 1HB LEU 25 HB2 LEU 25 3.871 -3.140 -6.359 176 2HB LEU 25 HB1 LEU 25 4.399 -2.560 -4.782 177 HG LEU 25 HG LEU 25 2.676 -0.566 -5.854 178 1HD1 LEU 25 HD11 LEU 25 2.009 -3.226 -6.785 179 2HD1 LEU 25 HD13 LEU 25 0.763 -2.646 -5.679 180 3HD1 LEU 25 HD12 LEU 25 1.180 -1.703 -7.110 181 1HD2 LEU 25 HD23 LEU 25 2.639 -2.572 -3.612 182 2HD2 LEU 25 HD22 LEU 25 2.693 -0.811 -3.527 183 3HD2 LEU 25 HD21 LEU 25 1.186 -1.629 -3.938 184 H CYS 26 HN CYS 26 5.620 -0.826 -4.056 185 HA CYS 26 HA CYS 26 4.510 1.567 -3.317 186 1HB CYS 26 HB2 CYS 26 7.153 0.245 -2.708 187 2HB CYS 26 HB1 CYS 26 6.703 1.730 -1.922 188 H LEU 27 HN LEU 27 7.561 1.045 -5.053 189 HA LEU 27 HA LEU 27 8.337 3.770 -5.198 190 1HB LEU 27 HB2 LEU 27 9.076 1.275 -6.612 191 2HB LEU 27 HB1 LEU 27 9.422 2.778 -7.471 192 HG LEU 27 HG LEU 27 10.184 2.408 -4.575 193 1HD1 LEU 27 HD12 LEU 27 11.577 1.466 -7.067 194 2HD1 LEU 27 HD11 LEU 27 12.527 1.998 -5.679 195 3HD1 LEU 27 HD13 LEU 27 11.403 0.649 -5.514 196 1HD2 LEU 27 HD21 LEU 27 10.130 4.694 -5.644 197 2HD2 LEU 27 HD23 LEU 27 11.722 4.219 -5.053 198 3HD2 LEU 27 HD22 LEU 27 11.361 4.134 -6.777 199 H GLU 28 HN GLU 28 6.294 1.818 -7.337 200 HA GLU 28 HA GLU 28 5.984 3.819 -9.345 201 1HB GLU 28 HB2 GLU 28 4.617 1.277 -8.628 202 2HB GLU 28 HB1 GLU 28 3.715 2.408 -9.636 203 1HG GLU 28 HG2 GLU 28 6.564 1.739 -10.328 204 2HG GLU 28 HG1 GLU 28 5.269 0.632 -10.782 205 NH1 ARG 29 NH2 ARG 29 -1.099 3.484 -7.146 206 NH2 ARG 29 NH1 ARG 29 -0.273 2.886 -9.160 207 H ARG 29 HN ARG 29 4.542 3.313 -6.259 208 HA ARG 29 HA ARG 29 2.343 5.162 -6.767 209 1HB ARG 29 HB2 ARG 29 3.005 3.171 -4.745 210 2HB ARG 29 HB1 ARG 29 2.402 4.669 -4.035 211 1HG ARG 29 HG2 ARG 29 0.347 3.819 -4.492 212 2HG ARG 29 HG1 ARG 29 0.683 4.329 -6.147 213 1HD ARG 29 HD2 ARG 29 1.912 1.764 -5.575 214 2HD ARG 29 HD1 ARG 29 0.178 1.709 -5.270 215 HE ARG 29 HE ARG 29 1.369 1.645 -7.831 216 1HH1 ARG 29 HH21 ARG 29 -1.081 3.431 -6.150 217 2HH1 ARG 29 HH22 ARG 29 -1.812 4.014 -7.603 218 1HH2 ARG 29 HH11 ARG 29 0.389 2.377 -9.710 219 2HH2 ARG 29 HH12 ARG 29 -0.997 3.411 -9.607 220 H LYS 30 HN LYS 30 5.510 5.594 -6.292 221 HA LYS 30 HA LYS 30 6.651 7.636 -5.897 222 1HB LYS 30 HB2 LYS 30 4.256 8.682 -6.075 223 2HB LYS 30 HB1 LYS 30 4.324 8.691 -4.313 224 1HG LYS 30 HG2 LYS 30 6.695 9.742 -5.798 225 2HG LYS 30 HG1 LYS 30 5.245 10.747 -5.750 226 1HD LYS 30 HD2 LYS 30 5.329 10.108 -3.157 227 2HD LYS 30 HD1 LYS 30 7.044 9.905 -3.513 228 1HE LYS 30 HE2 LYS 30 7.357 12.142 -3.988 229 2HE LYS 30 HE1 LYS 30 5.699 12.365 -4.543 230 1HZ LYS 30 HZ3 LYS 30 5.696 11.630 -1.824 231 2HZ LYS 30 HZ2 LYS 30 6.744 12.950 -2.038 232 3HZ LYS 30 HZ1 LYS 30 5.123 13.058 -2.537 233 H ALA 31 HN ALA 31 7.053 5.404 -4.354 234 HA ALA 31 HA ALA 31 7.200 6.549 -1.594 235 1HB ALA 31 HB2 ALA 31 5.827 4.370 -2.062 236 2HB ALA 31 HB1 ALA 31 7.415 3.606 -2.148 237 3HB ALA 31 HB3 ALA 31 6.910 4.427 -0.671 238 H ASP 32 HN ASP 32 9.173 6.423 -0.556 239 HA ASP 32 HA ASP 32 11.502 6.120 -2.252 240 1HB ASP 32 HB2 ASP 32 10.909 7.753 -0.186 241 2HB ASP 32 HB1 ASP 32 11.764 6.480 0.670 242 H LYS 33 HN LYS 33 9.955 4.538 0.468 243 HA LYS 33 HA LYS 33 11.440 2.055 -0.126 244 1HB LYS 33 HB2 LYS 33 11.692 1.986 2.568 245 2HB LYS 33 HB1 LYS 33 12.962 2.581 1.505 246 1HG LYS 33 HG2 LYS 33 12.823 4.623 2.442 247 2HG LYS 33 HG1 LYS 33 11.114 4.729 2.033 248 1HD LYS 33 HD2 LYS 33 10.508 4.366 4.162 249 2HD LYS 33 HD1 LYS 33 11.497 2.907 4.244 250 1HE LYS 33 HE2 LYS 33 13.215 3.985 5.274 251 2HE LYS 33 HE1 LYS 33 13.038 5.423 4.269 252 1HZ LYS 33 HZ1 LYS 33 10.778 5.391 5.789 253 2HZ LYS 33 HZ3 LYS 33 11.978 4.880 6.872 254 3HZ LYS 33 HZ2 LYS 33 12.146 6.363 6.060 255 H GLY 34 HN GLY 34 10.209 0.237 0.372 256 1HA GLY 34 HA2 GLY 34 7.952 0.418 2.229 257 2HA GLY 34 HA1 GLY 34 7.467 0.293 0.539 258 OH TYR 35 OH TYR 35 5.244 -2.978 8.009 259 H TYR 35 HN TYR 35 7.251 -1.678 2.858 260 HA TYR 35 HA TYR 35 8.631 -3.937 1.462 261 1HB TYR 35 HB2 TYR 35 8.928 -5.066 3.575 262 2HB TYR 35 HB1 TYR 35 9.604 -3.456 3.717 263 HD1 TYR 35 HD2 TYR 35 7.979 -1.593 4.633 264 HD2 TYR 35 HD1 TYR 35 7.369 -5.811 5.150 265 HE1 TYR 35 HE2 TYR 35 6.479 -1.148 6.557 266 HE2 TYR 35 HE1 TYR 35 5.872 -5.364 7.072 267 HH TYR 35 HH TYR 35 4.338 -3.002 7.693 268 H CYS 36 HN CYS 36 7.516 -6.048 2.599 269 HA CYS 36 HA CYS 36 4.660 -5.823 1.815 270 1HB CYS 36 HB2 CYS 36 5.873 -7.471 0.603 271 2HB CYS 36 HB1 CYS 36 6.609 -8.113 2.058 272 OH TYR 37 OH TYR 37 2.572 -5.728 11.879 273 H TYR 37 HN TYR 37 3.520 -5.249 3.690 274 HA TYR 37 HA TYR 37 4.185 -6.632 6.208 275 1HB TYR 37 HB2 TYR 37 3.366 -4.159 5.986 276 2HB TYR 37 HB1 TYR 37 1.762 -4.882 5.844 277 HD1 TYR 37 HD1 TYR 37 3.105 -7.331 7.649 278 HD2 TYR 37 HD2 TYR 37 2.308 -3.136 8.136 279 HE1 TYR 37 HE1 TYR 37 3.020 -7.634 10.106 280 HE2 TYR 37 HE2 TYR 37 2.224 -3.443 10.596 281 HH TYR 37 HH TYR 37 3.447 -5.547 12.229 282 CH2 TRP 38 CH2 TRP 38 0.876 -13.588 1.508 283 H TRP 38 HN TRP 38 3.589 -8.737 6.107 284 HA TRP 38 HA TRP 38 1.371 -9.767 4.646 285 1HB TRP 38 HB2 TRP 38 3.295 -10.798 6.642 286 2HB TRP 38 HB1 TRP 38 1.743 -11.635 6.610 287 HD1 TRP 38 HD1 TRP 38 4.988 -11.699 4.985 288 HE1 TRP 38 HE1 TRP 38 4.886 -12.993 2.757 289 HE3 TRP 38 HE3 TRP 38 -0.071 -11.920 4.327 290 HZ2 TRP 38 HZ2 TRP 38 2.913 -13.987 0.937 291 HZ3 TRP 38 HZ3 TRP 38 -1.035 -13.042 2.338 292 HH2 TRP 38 HH2 TRP 38 0.451 -14.075 0.644 293 H GLY 39 HN GLY 39 1.185 -10.708 7.987 294 1HA GLY 39 HA2 GLY 39 -0.767 -10.716 9.327 295 2HA GLY 39 HA1 GLY 39 -0.496 -8.975 9.247 296 H LYS 40 HN LYS 40 -1.299 -10.849 6.391 297 HA LYS 40 HA LYS 40 -3.148 -10.730 4.960 298 1HB LYS 40 HB2 LYS 40 -4.774 -10.059 7.417 299 2HB LYS 40 HB1 LYS 40 -5.294 -10.914 5.965 300 1HG LYS 40 HG2 LYS 40 -3.488 -12.659 6.585 301 2HG LYS 40 HG1 LYS 40 -3.496 -11.898 8.177 302 1HD LYS 40 HD2 LYS 40 -5.249 -13.236 8.669 303 2HD LYS 40 HD1 LYS 40 -6.199 -12.219 7.585 304 1HE LYS 40 HE2 LYS 40 -6.326 -13.843 6.019 305 2HE LYS 40 HE1 LYS 40 -4.600 -14.189 6.135 306 1HZ LYS 40 HZ2 LYS 40 -5.025 -15.474 8.134 307 2HZ LYS 40 HZ1 LYS 40 -6.688 -15.144 8.019 308 3HZ LYS 40 HZ3 LYS 40 -5.927 -16.082 6.829 309 H VAL 41 HN VAL 41 -1.729 -8.422 4.787 310 HA VAL 41 HA VAL 41 -3.903 -6.405 4.664 311 HB VAL 41 HB VAL 41 -1.568 -4.906 5.177 312 1HG1 VAL 41 HG13 VAL 41 -4.243 -5.015 5.908 313 2HG1 VAL 41 HG12 VAL 41 -3.390 -5.246 7.434 314 3HG1 VAL 41 HG11 VAL 41 -3.072 -3.815 6.454 315 1HG2 VAL 41 HG22 VAL 41 -1.845 -7.338 6.931 316 2HG2 VAL 41 HG21 VAL 41 -0.380 -6.587 6.299 317 3HG2 VAL 41 HG23 VAL 41 -1.267 -5.820 7.613 318 H SER 42 HN SER 42 -0.520 -5.572 3.866 319 HA SER 42 HA SER 42 -0.743 -6.344 1.100 320 1HB SER 42 HB2 SER 42 -2.017 -3.805 1.898 321 2HB SER 42 HB1 SER 42 -0.990 -3.715 0.473 322 HG SER 42 HG SER 42 -3.149 -4.321 -0.030 323 H CYS 43 HN CYS 43 0.554 -4.361 -0.226 324 HA CYS 43 HA CYS 43 3.284 -4.602 0.738 325 1HB CYS 43 HB2 CYS 43 1.900 -3.755 -1.698 326 2HB CYS 43 HB1 CYS 43 3.258 -2.702 -1.307 327 OH TYR 44 OH TYR 44 2.297 2.624 7.790 328 H TYR 44 HN TYR 44 3.722 -3.354 2.550 329 HA TYR 44 HA TYR 44 2.548 -0.745 2.978 330 1HB TYR 44 HB2 TYR 44 3.620 -2.474 4.667 331 2HB TYR 44 HB1 TYR 44 5.095 -1.569 4.315 332 HD1 TYR 44 HD2 TYR 44 1.475 -0.840 4.952 333 HD2 TYR 44 HD1 TYR 44 5.556 0.221 5.714 334 HE1 TYR 44 HE2 TYR 44 0.720 0.962 6.454 335 HE2 TYR 44 HE1 TYR 44 4.819 2.029 7.221 336 HH TYR 44 HH TYR 44 2.088 2.228 8.640 337 H CYS 45 HN CYS 45 3.395 1.278 2.535 338 HA CYS 45 HA CYS 45 6.068 1.358 1.182 339 1HB CYS 45 HB2 CYS 45 3.758 3.169 0.464 340 2HB CYS 45 HB1 CYS 45 5.270 2.942 -0.410 341 OH TYR 46 OH TYR 46 6.964 0.586 7.612 342 H TYR 46 HN TYR 46 7.006 3.561 1.235 343 HA TYR 46 HA TYR 46 6.109 5.242 3.520 344 1HB TYR 46 HB2 TYR 46 8.919 4.200 3.076 345 2HB TYR 46 HB1 TYR 46 8.504 5.457 4.231 346 HD1 TYR 46 HD1 TYR 46 8.132 1.866 3.408 347 HD2 TYR 46 HD2 TYR 46 7.429 4.921 6.327 348 HE1 TYR 46 HE1 TYR 46 7.637 0.138 5.096 349 HE2 TYR 46 HE2 TYR 46 6.918 3.191 8.019 350 HH TYR 46 HH TYR 46 7.781 0.366 8.064 351 H GLY 47 HN GLY 47 5.649 7.089 2.308 352 1HA GLY 47 HA2 GLY 47 7.102 9.062 1.441 353 2HA GLY 47 HA1 GLY 47 7.662 7.893 0.251 354 H LEU 48 HN LEU 48 4.458 7.209 0.912 355 HA LEU 48 HA LEU 48 3.587 8.050 -1.693 356 1HB LEU 48 HB2 LEU 48 1.904 7.272 0.709 357 2HB LEU 48 HB1 LEU 48 1.368 7.304 -0.971 358 HG LEU 48 HG LEU 48 3.556 5.540 0.169 359 1HD1 LEU 48 HD13 LEU 48 0.751 5.233 0.122 360 2HD1 LEU 48 HD12 LEU 48 1.367 4.205 -1.172 361 3HD1 LEU 48 HD11 LEU 48 1.950 3.991 0.479 362 1HD2 LEU 48 HD22 LEU 48 2.490 5.930 -2.640 363 2HD2 LEU 48 HD21 LEU 48 4.152 6.128 -2.086 364 3HD2 LEU 48 HD23 LEU 48 3.432 4.519 -2.159 365 HA PRO 49 HA PRO 49 2.412 12.213 -1.172 366 1HB PRO 49 HB2 PRO 49 -0.150 11.887 -2.466 367 2HB PRO 49 HB1 PRO 49 1.334 12.581 -3.134 368 1HG PRO 49 HG2 PRO 49 0.163 10.028 -3.764 369 2HG PRO 49 HG1 PRO 49 1.664 10.715 -4.398 370 1HD PRO 49 HD2 PRO 49 1.374 8.541 -2.527 371 2HD PRO 49 HD1 PRO 49 2.879 9.244 -3.158 372 H ASP 50 HN ASP 50 1.142 13.462 0.257 373 HA ASP 50 HA ASP 50 -0.060 12.219 2.447 374 1HB ASP 50 HB2 ASP 50 0.119 14.940 1.357 375 2HB ASP 50 HB1 ASP 50 -1.273 14.654 2.393 376 H ASN 51 HN ASN 51 -1.746 13.960 -0.126 377 HA ASN 51 HA ASN 51 -4.312 13.003 0.616 378 1HB ASN 51 HB2 ASN 51 -5.087 14.170 -1.286 379 2HB ASN 51 HB1 ASN 51 -3.717 15.101 -0.715 380 1HD2 ASN 51 HD22 ASN 51 -3.245 14.691 -4.368 381 2HD2 ASN 51 HD21 ASN 51 -4.352 15.481 -3.350 382 H SER 52 HN SER 52 -1.788 11.348 -0.801 383 HA SER 52 HA SER 52 -2.949 9.873 -2.901 384 1HB SER 52 HB2 SER 52 -0.543 9.797 -1.676 385 2HB SER 52 HB1 SER 52 -1.265 8.342 -0.995 386 HG SER 52 HG SER 52 -0.322 7.760 -2.909 387 HA PRO 53 HA PRO 53 -6.338 8.022 -0.646 388 1HB PRO 53 HB2 PRO 53 -6.688 6.241 -2.909 389 2HB PRO 53 HB1 PRO 53 -7.726 7.572 -2.379 390 1HG PRO 53 HG2 PRO 53 -6.003 7.538 -4.663 391 2HG PRO 53 HG1 PRO 53 -6.945 8.905 -4.053 392 1HD PRO 53 HD2 PRO 53 -4.079 8.538 -3.950 393 2HD PRO 53 HD1 PRO 53 -5.027 9.926 -3.377 394 H THR 54 HN THR 54 -5.076 6.915 0.932 395 HA THR 54 HA THR 54 -4.216 4.162 0.152 396 HB THR 54 HB THR 54 -2.636 4.284 2.050 397 HG1 THR 54 HG1 THR 54 -3.777 5.748 3.327 398 1HG2 THR 54 HG21 THR 54 -2.284 5.340 -0.381 399 2HG2 THR 54 HG23 THR 54 -2.111 6.813 0.572 400 3HG2 THR 54 HG22 THR 54 -1.044 5.441 0.869 401 H LYS 55 HN LYS 55 -4.461 2.572 1.964 402 HA LYS 55 HA LYS 55 -7.000 2.168 2.875 403 1HB LYS 55 HB2 LYS 55 -4.329 1.350 3.801 404 2HB LYS 55 HB1 LYS 55 -5.571 1.281 5.051 405 1HG LYS 55 HG2 LYS 55 -5.800 0.019 2.304 406 2HG LYS 55 HG1 LYS 55 -5.413 -0.851 3.790 407 1HD LYS 55 HD2 LYS 55 -7.594 -0.998 4.308 408 2HD LYS 55 HD1 LYS 55 -7.750 0.758 4.233 409 1HE LYS 55 HE2 LYS 55 -8.671 0.707 2.157 410 2HE LYS 55 HE1 LYS 55 -7.559 -0.543 1.599 411 1HZ LYS 55 HZ2 LYS 55 -9.595 -1.282 3.559 412 2HZ LYS 55 HZ1 LYS 55 -10.093 -1.038 1.953 413 3HZ LYS 55 HZ3 LYS 55 -8.913 -2.206 2.309 414 H THR 56 HN THR 56 -8.182 3.931 3.652 415 HA THR 56 HA THR 56 -7.075 5.668 5.738 416 HB THR 56 HB THR 56 -9.821 5.530 4.473 417 HG1 THR 56 HG1 THR 56 -7.703 6.324 3.422 418 1HG2 THR 56 HG21 THR 56 -9.125 6.668 6.927 419 2HG2 THR 56 HG23 THR 56 -9.090 8.018 5.793 420 3HG2 THR 56 HG22 THR 56 -10.555 7.051 5.967 421 H SER 57 HN SER 57 -10.318 4.379 5.848 422 HA SER 57 HA SER 57 -9.701 2.800 8.235 423 1HB SER 57 HB2 SER 57 -11.337 3.910 9.626 424 2HB SER 57 HB1 SER 57 -10.254 5.144 8.987 425 HG SER 57 HG SER 57 -12.558 5.600 8.811 426 H GLY 58 HN GLY 58 -10.264 1.251 6.378 427 1HA GLY 58 HA2 GLY 58 -12.903 0.210 6.782 428 2HA GLY 58 HA1 GLY 58 -12.847 1.076 5.246 429 H LYS 59 HN LYS 59 -13.309 -1.210 4.453 430 HA LYS 59 HA LYS 59 -10.720 -2.658 4.048 431 1HB LYS 59 HB2 LYS 59 -12.521 -4.638 3.680 432 2HB LYS 59 HB1 LYS 59 -11.790 -4.295 5.247 433 1HG LYS 59 HG2 LYS 59 -14.282 -2.827 4.438 434 2HG LYS 59 HG1 LYS 59 -14.409 -4.479 5.045 435 1HD LYS 59 HD2 LYS 59 -12.665 -3.324 6.844 436 2HD LYS 59 HD1 LYS 59 -13.776 -2.000 6.492 437 1HE LYS 59 HE2 LYS 59 -14.849 -3.116 8.255 438 2HE LYS 59 HE1 LYS 59 -15.639 -3.794 6.832 439 1HZ LYS 59 HZ1 LYS 59 -13.477 -5.384 7.144 440 2HZ LYS 59 HZ3 LYS 59 -13.915 -5.064 8.751 441 3HZ LYS 59 HZ2 LYS 59 -15.046 -5.750 7.685 442 H CYS 60 HN CYS 60 -10.607 -3.816 1.950 443 HA CYS 60 HA CYS 60 -11.356 -2.237 -0.266 444 1HB CYS 60 HB2 CYS 60 -9.641 -3.943 -0.497 445 2HB CYS 60 HB1 CYS 60 -10.797 -5.217 -0.112 446 H ASN 61 HN ASN 61 -13.474 -1.689 -0.638 447 HA ASN 61 HA ASN 61 -15.493 -3.895 -0.530 448 1HB ASN 61 HB2 ASN 61 -15.587 -1.696 0.977 449 2HB ASN 61 HB1 ASN 61 -16.315 -1.023 -0.483 450 1HD2 ASN 61 HD22 ASN 61 -19.202 -2.371 1.306 451 2HD2 ASN 61 HD21 ASN 61 -18.171 -1.023 1.359 452 HA PRO 62 HA PRO 62 -15.028 -2.812 -4.975 453 1HB PRO 62 HB2 PRO 62 -16.047 -5.444 -5.526 454 2HB PRO 62 HB1 PRO 62 -14.400 -4.847 -5.769 455 1HG PRO 62 HG2 PRO 62 -15.320 -6.694 -3.753 456 2HG PRO 62 HG1 PRO 62 -13.676 -6.090 -3.999 457 1HD PRO 62 HD2 PRO 62 -15.514 -5.398 -1.886 458 2HD PRO 62 HD1 PRO 62 -13.862 -4.797 -2.136 459 H ALA 63 HN ALA 63 -16.841 -3.107 -6.725 460 HA ALA 63 HA ALA 63 -19.357 -2.215 -5.549 461 1HB ALA 63 HB3 ALA 63 -18.108 -1.994 -8.063 462 2HB ALA 63 HB2 ALA 63 -19.562 -2.951 -8.346 463 3HB ALA 63 HB1 ALA 63 -19.687 -1.355 -7.607 Start of MODEL 14 Raw file had 463 H/Q atoms Start of MODEL 14 1 1H LYS 1 HT1 LYS 1 4.174 11.224 9.298 2 2H LYS 1 HT3 LYS 1 5.420 12.105 8.558 3 3H LYS 1 HT2 LYS 1 3.820 12.273 8.011 4 HA LYS 1 HA LYS 1 4.002 10.563 6.641 5 1HB LYS 1 HB2 LYS 1 6.265 9.834 6.077 6 2HB LYS 1 HB1 LYS 1 6.269 11.570 6.384 7 1HG LYS 1 HG2 LYS 1 6.865 10.930 8.821 8 2HG LYS 1 HG1 LYS 1 7.282 9.351 8.152 9 1HD LYS 1 HD2 LYS 1 8.780 10.511 6.505 10 2HD LYS 1 HD1 LYS 1 8.453 12.026 7.346 11 1HE LYS 1 HE2 LYS 1 9.325 9.743 9.039 12 2HE LYS 1 HE1 LYS 1 10.543 10.443 7.974 13 1HZ LYS 1 HZ3 LYS 1 9.870 12.651 8.875 14 2HZ LYS 1 HZ2 LYS 1 8.934 11.837 10.036 15 3HZ LYS 1 HZ1 LYS 1 10.620 11.629 9.999 16 H LYS 2 HN LYS 2 4.440 8.145 6.452 17 HA LYS 2 HA LYS 2 5.087 6.629 8.810 18 1HB LYS 2 HB2 LYS 2 2.759 5.674 9.130 19 2HB LYS 2 HB1 LYS 2 2.964 7.336 9.678 20 1HG LYS 2 HG2 LYS 2 1.207 7.874 8.369 21 2HG LYS 2 HG1 LYS 2 2.258 7.582 6.982 22 1HD LYS 2 HD2 LYS 2 1.368 5.495 6.569 23 2HD LYS 2 HD1 LYS 2 0.997 5.204 8.269 24 1HE LYS 2 HE2 LYS 2 -1.138 5.539 7.375 25 2HE LYS 2 HE1 LYS 2 -0.729 7.158 7.941 26 1HZ LYS 2 HZ2 LYS 2 0.014 6.381 5.210 27 2HZ LYS 2 HZ1 LYS 2 -1.608 6.786 5.531 28 3HZ LYS 2 HZ3 LYS 2 -0.375 7.913 5.830 29 H ASP 3 HN ASP 3 5.113 4.371 8.376 30 HA ASP 3 HA ASP 3 5.065 3.695 5.496 31 1HB ASP 3 HB2 ASP 3 5.657 1.661 7.580 32 2HB ASP 3 HB1 ASP 3 6.507 1.992 6.073 33 H GLY 4 HN GLY 4 3.587 1.976 4.726 34 1HA GLY 4 HA2 GLY 4 1.927 0.417 6.405 35 2HA GLY 4 HA1 GLY 4 1.061 1.918 6.111 36 OH TYR 5 OH TYR 5 2.172 -5.766 5.268 37 H TYR 5 HN TYR 5 -0.439 0.198 5.131 38 HA TYR 5 HA TYR 5 0.386 -0.532 2.362 39 1HB TYR 5 HB2 TYR 5 -1.982 -1.426 4.036 40 2HB TYR 5 HB1 TYR 5 -1.661 -1.954 2.388 41 HD1 TYR 5 HD2 TYR 5 -0.549 -2.158 5.899 42 HD2 TYR 5 HD1 TYR 5 0.136 -3.492 1.886 43 HE1 TYR 5 HE2 TYR 5 0.917 -3.971 6.750 44 HE2 TYR 5 HE1 TYR 5 1.599 -5.308 2.722 45 HH TYR 5 HH TYR 5 3.079 -5.460 5.215 46 HA PRO 6 HA PRO 6 -2.077 3.168 1.430 47 1HB PRO 6 HB2 PRO 6 -1.301 2.843 -1.317 48 2HB PRO 6 HB1 PRO 6 -0.714 4.047 -0.162 49 1HG PRO 6 HG2 PRO 6 0.708 1.762 -1.198 50 2HG PRO 6 HG1 PRO 6 1.290 2.971 -0.045 51 1HD PRO 6 HD2 PRO 6 0.556 0.230 0.487 52 2HD PRO 6 HD1 PRO 6 1.148 1.447 1.636 53 H VAL 7 HN VAL 7 -4.260 2.899 1.095 54 HA VAL 7 HA VAL 7 -5.130 0.578 -0.580 55 HB VAL 7 HB VAL 7 -7.320 0.840 0.524 56 1HG1 VAL 7 HG12 VAL 7 -4.978 0.796 2.452 57 2HG1 VAL 7 HG11 VAL 7 -6.597 0.190 2.796 58 3HG1 VAL 7 HG13 VAL 7 -5.605 -0.594 1.567 59 1HG2 VAL 7 HG21 VAL 7 -6.123 3.389 1.268 60 2HG2 VAL 7 HG23 VAL 7 -7.815 2.899 1.310 61 3HG2 VAL 7 HG22 VAL 7 -6.758 2.538 2.676 62 H ASP 8 HN ASP 8 -6.442 0.875 -2.361 63 HA ASP 8 HA ASP 8 -6.331 3.397 -3.713 64 1HB ASP 8 HB2 ASP 8 -7.851 2.344 -5.342 65 2HB ASP 8 HB1 ASP 8 -6.572 1.220 -4.881 66 H SER 9 HN SER 9 -8.995 3.702 -4.678 67 HA SER 9 HA SER 9 -10.130 5.220 -2.464 68 1HB SER 9 HB2 SER 9 -12.033 4.992 -4.559 69 2HB SER 9 HB1 SER 9 -10.996 6.368 -4.193 70 HG SER 9 HG SER 9 -10.738 5.493 -6.338 71 H GLY 10 HN GLY 10 -10.102 2.004 -2.960 72 1HA GLY 10 HA2 GLY 10 -12.941 1.569 -2.183 73 2HA GLY 10 HA1 GLY 10 -11.855 0.320 -2.794 74 H ASN 11 HN ASN 11 -9.971 2.036 -0.751 75 HA ASN 11 HA ASN 11 -9.364 1.829 1.503 76 1HB ASN 11 HB2 ASN 11 -12.167 1.242 1.523 77 2HB ASN 11 HB1 ASN 11 -11.347 0.080 2.561 78 1HD2 ASN 11 HD22 ASN 11 -11.113 2.430 5.144 79 2HD2 ASN 11 HD21 ASN 11 -11.376 0.823 4.667 80 H CYS 12 HN CYS 12 -8.954 -0.127 -0.703 81 HA CYS 12 HA CYS 12 -8.222 -2.481 0.964 82 1HB CYS 12 HB2 CYS 12 -8.593 -2.520 -2.029 83 2HB CYS 12 HB1 CYS 12 -8.652 -3.856 -0.892 84 H LYS 13 HN LYS 13 -6.066 -3.072 0.927 85 HA LYS 13 HA LYS 13 -4.077 -1.235 0.040 86 1HB LYS 13 HB2 LYS 13 -3.645 -4.188 0.527 87 2HB LYS 13 HB1 LYS 13 -2.485 -2.880 0.750 88 1HG LYS 13 HG2 LYS 13 -3.150 -2.922 2.922 89 2HG LYS 13 HG1 LYS 13 -4.584 -2.072 2.344 90 1HD LYS 13 HD2 LYS 13 -5.778 -3.818 3.131 91 2HD LYS 13 HD1 LYS 13 -5.130 -4.736 1.772 92 1HE LYS 13 HE2 LYS 13 -3.084 -5.164 3.305 93 2HE LYS 13 HE1 LYS 13 -4.143 -4.647 4.618 94 1HZ LYS 13 HZ2 LYS 13 -4.861 -6.763 2.668 95 2HZ LYS 13 HZ1 LYS 13 -4.152 -7.083 4.177 96 3HZ LYS 13 HZ3 LYS 13 -5.682 -6.356 4.098 97 OH TYR 14 OH TYR 14 -4.386 3.858 -4.346 98 H TYR 14 HN TYR 14 -2.695 -1.231 -1.790 99 HA TYR 14 HA TYR 14 -3.733 -2.435 -4.219 100 1HB TYR 14 HB2 TYR 14 -0.991 -1.217 -3.721 101 2HB TYR 14 HB1 TYR 14 -1.701 -1.559 -5.292 102 HD1 TYR 14 HD2 TYR 14 -4.009 -0.443 -5.807 103 HD2 TYR 14 HD1 TYR 14 -1.314 0.896 -2.740 104 HE1 TYR 14 HE2 TYR 14 -5.075 1.796 -5.844 105 HE2 TYR 14 HE1 TYR 14 -2.379 3.136 -2.785 106 HH TYR 14 HH TYR 14 -4.740 3.998 -5.228 107 H GLU 15 HN GLU 15 -2.978 -4.290 -5.296 108 HA GLU 15 HA GLU 15 -1.331 -6.126 -3.655 109 1HB GLU 15 HB2 GLU 15 -3.167 -7.268 -4.487 110 2HB GLU 15 HB1 GLU 15 -3.142 -6.403 -6.021 111 1HG GLU 15 HG2 GLU 15 -1.075 -7.622 -6.654 112 2HG GLU 15 HG1 GLU 15 -1.150 -8.511 -5.132 113 H CYS 16 HN CYS 16 0.357 -7.457 -4.949 114 HA CYS 16 HA CYS 16 1.632 -5.844 -7.087 115 1HB CYS 16 HB2 CYS 16 3.269 -5.081 -5.789 116 2HB CYS 16 HB1 CYS 16 2.472 -5.804 -4.396 117 H LEU 17 HN LEU 17 3.610 -7.015 -7.941 118 HA LEU 17 HA LEU 17 3.108 -9.948 -8.051 119 1HB LEU 17 HB2 LEU 17 4.820 -8.887 -10.165 120 2HB LEU 17 HB1 LEU 17 3.373 -9.878 -10.306 121 HG LEU 17 HG LEU 17 2.903 -7.839 -11.423 122 1HD1 LEU 17 HD11 LEU 17 1.433 -8.617 -9.174 123 2HD1 LEU 17 HD13 LEU 17 1.517 -6.857 -9.102 124 3HD1 LEU 17 HD12 LEU 17 0.860 -7.651 -10.532 125 1HD2 LEU 17 HD21 LEU 17 4.677 -6.708 -9.527 126 2HD2 LEU 17 HD23 LEU 17 3.993 -5.949 -10.963 127 3HD2 LEU 17 HD22 LEU 17 3.147 -5.837 -9.420 128 H LYS 18 HN LYS 18 5.545 -7.367 -7.982 129 HA LYS 18 HA LYS 18 7.406 -9.253 -6.615 130 1HB LYS 18 HB2 LYS 18 8.221 -7.398 -8.873 131 2HB LYS 18 HB1 LYS 18 9.289 -8.472 -7.971 132 1HG LYS 18 HG2 LYS 18 6.874 -9.554 -9.415 133 2HG LYS 18 HG1 LYS 18 8.396 -9.291 -10.267 134 1HD LYS 18 HD2 LYS 18 9.557 -10.715 -8.597 135 2HD LYS 18 HD1 LYS 18 8.012 -11.017 -7.802 136 1HE LYS 18 HE2 LYS 18 7.633 -12.707 -9.236 137 2HE LYS 18 HE1 LYS 18 7.632 -11.549 -10.566 138 1HZ LYS 18 HZ3 LYS 18 10.071 -11.745 -10.635 139 2HZ LYS 18 HZ2 LYS 18 9.997 -12.950 -9.437 140 3HZ LYS 18 HZ1 LYS 18 9.293 -13.217 -10.960 141 H ASP 19 HN ASP 19 9.500 -7.669 -6.038 142 HA ASP 19 HA ASP 19 8.372 -5.719 -4.172 143 1HB ASP 19 HB2 ASP 19 10.243 -6.939 -3.360 144 2HB ASP 19 HB1 ASP 19 11.182 -6.627 -4.819 145 H ASP 20 HN ASP 20 9.532 -5.591 -7.399 146 HA ASP 20 HA ASP 20 10.454 -2.831 -7.335 147 1HB ASP 20 HB2 ASP 20 9.626 -3.402 -9.966 148 2HB ASP 20 HB1 ASP 20 11.266 -3.464 -9.338 149 OH TYR 21 OH TYR 21 0.012 -0.934 -8.905 150 H TYR 21 HN TYR 21 7.518 -4.290 -8.830 151 HA TYR 21 HA TYR 21 6.149 -1.956 -9.446 152 1HB TYR 21 HB2 TYR 21 5.156 -4.142 -9.903 153 2HB TYR 21 HB1 TYR 21 4.987 -4.452 -8.173 154 HD1 TYR 21 HD2 TYR 21 4.397 -1.297 -10.069 155 HD2 TYR 21 HD1 TYR 21 2.649 -4.480 -7.783 156 HE1 TYR 21 HE2 TYR 21 2.234 -0.096 -10.061 157 HE2 TYR 21 HE1 TYR 21 0.480 -3.278 -7.771 158 HH TYR 21 HH TYR 21 0.201 0.004 -8.829 159 H CYS 22 HN CYS 22 6.135 -3.593 -6.263 160 HA CYS 22 HA CYS 22 4.510 -1.760 -4.884 161 1HB CYS 22 HB2 CYS 22 6.878 -3.410 -4.001 162 2HB CYS 22 HB1 CYS 22 6.002 -2.384 -2.871 163 H ASN 23 HN ASN 23 8.015 -1.613 -5.465 164 HA ASN 23 HA ASN 23 8.547 0.798 -4.027 165 1HB ASN 23 HB2 ASN 23 10.265 -0.724 -5.034 166 2HB ASN 23 HB1 ASN 23 9.825 -0.157 -6.622 167 1HD2 ASN 23 HD22 ASN 23 12.126 2.171 -4.214 168 2HD2 ASN 23 HD21 ASN 23 11.463 0.710 -3.661 169 H ASP 24 HN ASP 24 7.870 0.319 -7.472 170 HA ASP 24 HA ASP 24 7.775 3.024 -8.279 171 1HB ASP 24 HB2 ASP 24 7.643 0.870 -9.696 172 2HB ASP 24 HB1 ASP 24 5.916 0.917 -9.375 173 H LEU 25 HN LEU 25 4.801 1.071 -7.895 174 HA LEU 25 HA LEU 25 2.953 3.119 -7.748 175 1HB LEU 25 HB2 LEU 25 2.072 0.928 -7.689 176 2HB LEU 25 HB1 LEU 25 3.109 0.452 -6.349 177 HG LEU 25 HG LEU 25 1.415 2.677 -5.576 178 1HD1 LEU 25 HD13 LEU 25 0.004 1.482 -7.390 179 2HD1 LEU 25 HD12 LEU 25 -0.102 0.153 -6.234 180 3HD1 LEU 25 HD11 LEU 25 -0.740 1.743 -5.813 181 1HD2 LEU 25 HD21 LEU 25 2.388 0.100 -4.605 182 2HD2 LEU 25 HD23 LEU 25 1.957 1.547 -3.691 183 3HD2 LEU 25 HD22 LEU 25 0.710 0.386 -4.145 184 H CYS 26 HN CYS 26 5.103 1.989 -5.205 185 HA CYS 26 HA CYS 26 4.033 3.435 -3.032 186 1HB CYS 26 HB2 CYS 26 6.596 2.087 -3.709 187 2HB CYS 26 HB1 CYS 26 6.606 3.165 -2.336 188 H LEU 27 HN LEU 27 6.552 4.285 -5.387 189 HA LEU 27 HA LEU 27 7.360 6.730 -4.241 190 1HB LEU 27 HB2 LEU 27 7.351 5.689 -7.075 191 2HB LEU 27 HB1 LEU 27 7.929 7.312 -6.702 192 HG LEU 27 HG LEU 27 8.968 4.823 -5.321 193 1HD1 LEU 27 HD11 LEU 27 9.942 6.294 -7.781 194 2HD1 LEU 27 HD13 LEU 27 11.001 5.266 -6.815 195 3HD1 LEU 27 HD12 LEU 27 9.591 4.573 -7.617 196 1HD2 LEU 27 HD23 LEU 27 9.824 7.727 -5.450 197 2HD2 LEU 27 HD22 LEU 27 9.386 6.793 -4.020 198 3HD2 LEU 27 HD21 LEU 27 10.892 6.448 -4.871 199 H GLU 28 HN GLU 28 4.706 5.940 -6.459 200 HA GLU 28 HA GLU 28 3.900 8.628 -6.925 201 1HB GLU 28 HB2 GLU 28 2.772 5.953 -7.401 202 2HB GLU 28 HB1 GLU 28 1.571 7.227 -7.183 203 1HG GLU 28 HG2 GLU 28 1.936 7.555 -9.418 204 2HG GLU 28 HG1 GLU 28 3.295 8.508 -8.823 205 NH1 ARG 29 NH2 ARG 29 -2.438 6.090 -5.206 206 NH2 ARG 29 NH1 ARG 29 -1.179 7.230 -6.697 207 H ARG 29 HN ARG 29 3.035 6.291 -4.467 208 HA ARG 29 HA ARG 29 0.978 7.882 -3.274 209 1HB ARG 29 HB2 ARG 29 2.664 5.787 -1.890 210 2HB ARG 29 HB1 ARG 29 1.049 6.324 -1.431 211 1HG ARG 29 HG2 ARG 29 1.724 4.946 -4.043 212 2HG ARG 29 HG1 ARG 29 1.035 4.140 -2.641 213 1HD ARG 29 HD2 ARG 29 -0.897 4.614 -3.818 214 2HD ARG 29 HD1 ARG 29 -0.772 6.080 -2.852 215 HE ARG 29 HE ARG 29 0.666 6.640 -5.171 216 1HH1 ARG 29 HH21 ARG 29 -2.516 5.564 -4.359 217 2HH1 ARG 29 HH22 ARG 29 -3.253 6.271 -5.758 218 1HH2 ARG 29 HH11 ARG 29 -0.290 7.576 -6.997 219 2HH2 ARG 29 HH12 ARG 29 -1.997 7.416 -7.242 220 H LYS 30 HN LYS 30 4.254 8.409 -3.476 221 HA LYS 30 HA LYS 30 5.456 10.246 -2.573 222 1HB LYS 30 HB2 LYS 30 3.250 11.212 -1.785 223 2HB LYS 30 HB1 LYS 30 3.464 10.292 -0.299 224 1HG LYS 30 HG2 LYS 30 5.863 11.795 -1.034 225 2HG LYS 30 HG1 LYS 30 4.465 12.835 -0.766 226 1HD LYS 30 HD2 LYS 30 4.645 10.745 1.264 227 2HD LYS 30 HD1 LYS 30 6.106 11.731 1.218 228 1HE LYS 30 HE2 LYS 30 4.207 13.667 1.010 229 2HE LYS 30 HE1 LYS 30 3.345 12.480 1.989 230 1HZ LYS 30 HZ3 LYS 30 5.620 12.435 3.260 231 2HZ LYS 30 HZ2 LYS 30 5.771 13.998 2.609 232 3HZ LYS 30 HZ1 LYS 30 4.449 13.613 3.605 233 H ALA 31 HN ALA 31 5.965 7.444 -2.108 234 HA ALA 31 HA ALA 31 6.982 7.574 0.701 235 1HB ALA 31 HB1 ALA 31 5.420 5.623 -0.373 236 2HB ALA 31 HB3 ALA 31 7.028 4.968 -0.678 237 3HB ALA 31 HB2 ALA 31 6.538 5.368 0.969 238 H ASP 32 HN ASP 32 9.122 7.139 1.086 239 HA ASP 32 HA ASP 32 11.014 7.696 -0.978 240 1HB ASP 32 HB2 ASP 32 11.123 7.934 1.644 241 2HB ASP 32 HB1 ASP 32 11.745 6.295 1.563 242 H LYS 33 HN LYS 33 10.067 4.769 0.772 243 HA LYS 33 HA LYS 33 10.933 3.132 -1.548 244 1HB LYS 33 HB2 LYS 33 12.371 1.691 -0.264 245 2HB LYS 33 HB1 LYS 33 12.907 3.347 0.032 246 1HG LYS 33 HG2 LYS 33 11.086 3.137 1.995 247 2HG LYS 33 HG1 LYS 33 11.545 1.440 1.868 248 1HD LYS 33 HD2 LYS 33 13.692 3.523 1.940 249 2HD LYS 33 HD1 LYS 33 12.888 3.072 3.444 250 1HE LYS 33 HE2 LYS 33 14.404 1.260 1.550 251 2HE LYS 33 HE1 LYS 33 14.794 1.623 3.230 252 1HZ LYS 33 HZ1 LYS 33 12.408 0.677 3.615 253 2HZ LYS 33 HZ3 LYS 33 12.693 -0.105 2.139 254 3HZ LYS 33 HZ2 LYS 33 13.736 -0.371 3.453 255 H GLY 34 HN GLY 34 9.891 1.101 -1.621 256 1HA GLY 34 HA2 GLY 34 8.206 0.256 0.632 257 2HA GLY 34 HA1 GLY 34 7.326 0.758 -0.810 258 OH TYR 35 OH TYR 35 7.404 -4.608 5.257 259 H TYR 35 HN TYR 35 8.075 -1.969 0.607 260 HA TYR 35 HA TYR 35 9.020 -3.305 -1.893 261 1HB TYR 35 HB2 TYR 35 9.591 -5.236 -0.436 262 2HB TYR 35 HB1 TYR 35 10.474 -3.783 -0.002 263 HD1 TYR 35 HD2 TYR 35 7.282 -5.578 0.811 264 HD2 TYR 35 HD1 TYR 35 10.483 -3.100 2.249 265 HE1 TYR 35 HE2 TYR 35 6.374 -5.740 3.108 266 HE2 TYR 35 HE1 TYR 35 9.573 -3.265 4.550 267 HH TYR 35 HH TYR 35 7.978 -4.109 5.842 268 H CYS 36 HN CYS 36 8.177 -5.820 -1.525 269 HA CYS 36 HA CYS 36 5.212 -5.507 -1.439 270 1HB CYS 36 HB2 CYS 36 6.311 -6.077 -3.643 271 2HB CYS 36 HB1 CYS 36 6.770 -7.616 -2.928 272 OH TYR 37 OH TYR 37 2.904 -11.896 6.269 273 H TYR 37 HN TYR 37 4.341 -6.452 0.321 274 HA TYR 37 HA TYR 37 5.780 -8.647 1.665 275 1HB TYR 37 HB2 TYR 37 4.751 -6.979 3.105 276 2HB TYR 37 HB1 TYR 37 3.191 -7.197 2.317 277 HD1 TYR 37 HD2 TYR 37 5.349 -10.104 2.867 278 HD2 TYR 37 HD1 TYR 37 2.139 -7.766 4.503 279 HE1 TYR 37 HE2 TYR 37 4.828 -11.932 4.459 280 HE2 TYR 37 HE1 TYR 37 1.619 -9.593 6.096 281 HH TYR 37 HH TYR 37 3.342 -11.693 7.099 282 CH2 TRP 38 CH2 TRP 38 3.816 -15.480 -5.544 283 H TRP 38 HN TRP 38 5.620 -10.256 0.066 284 HA TRP 38 HA TRP 38 3.281 -11.005 -1.339 285 1HB TRP 38 HB2 TRP 38 5.955 -11.907 -1.103 286 2HB TRP 38 HB1 TRP 38 4.941 -13.311 -0.812 287 HD1 TRP 38 HD1 TRP 38 4.814 -10.332 -3.304 288 HE1 TRP 38 HE1 TRP 38 4.269 -11.271 -5.638 289 HE3 TRP 38 HE3 TRP 38 4.459 -15.306 -2.197 290 HZ2 TRP 38 HZ2 TRP 38 3.755 -13.789 -6.880 291 HZ3 TRP 38 HZ3 TRP 38 3.944 -16.953 -3.977 292 HH2 TRP 38 HH2 TRP 38 3.593 -16.202 -6.316 293 H GLY 39 HN GLY 39 3.444 -13.953 -0.416 294 1HA GLY 39 HA2 GLY 39 2.323 -15.321 1.129 295 2HA GLY 39 HA1 GLY 39 2.364 -13.970 2.270 296 H LYS 40 HN LYS 40 1.139 -13.449 -0.909 297 HA LYS 40 HA LYS 40 -0.998 -12.976 -1.717 298 1HB LYS 40 HB2 LYS 40 -1.718 -14.773 0.608 299 2HB LYS 40 HB1 LYS 40 -2.933 -14.074 -0.461 300 1HG LYS 40 HG2 LYS 40 -2.477 -16.158 -1.456 301 2HG LYS 40 HG1 LYS 40 -1.481 -15.036 -2.386 302 1HD LYS 40 HD2 LYS 40 0.499 -15.715 -1.331 303 2HD LYS 40 HD1 LYS 40 -0.357 -16.385 0.059 304 1HE LYS 40 HE2 LYS 40 -1.400 -18.031 -1.661 305 2HE LYS 40 HE1 LYS 40 -0.069 -17.539 -2.708 306 1HZ LYS 40 HZ1 LYS 40 0.352 -18.476 0.070 307 2HZ LYS 40 HZ3 LYS 40 0.341 -19.534 -1.256 308 3HZ LYS 40 HZ2 LYS 40 1.508 -18.301 -1.164 309 H VAL 41 HN VAL 41 0.381 -11.202 0.192 310 HA VAL 41 HA VAL 41 -1.945 -10.044 1.652 311 HB VAL 41 HB VAL 41 1.026 -9.527 1.882 312 1HG1 VAL 41 HG12 VAL 41 -1.352 -8.006 2.834 313 2HG1 VAL 41 HG11 VAL 41 -0.023 -8.211 3.976 314 3HG1 VAL 41 HG13 VAL 41 0.261 -7.424 2.422 315 1HG2 VAL 41 HG23 VAL 41 -0.806 -11.356 3.116 316 2HG2 VAL 41 HG22 VAL 41 0.914 -11.149 3.442 317 3HG2 VAL 41 HG21 VAL 41 -0.271 -10.193 4.331 318 H SER 42 HN SER 42 0.741 -7.995 0.706 319 HA SER 42 HA SER 42 -0.468 -6.943 -1.719 320 1HB SER 42 HB2 SER 42 -1.514 -6.003 0.820 321 2HB SER 42 HB1 SER 42 -0.795 -4.689 -0.102 322 HG SER 42 HG SER 42 -2.557 -4.762 -1.235 323 H CYS 43 HN CYS 43 0.313 -4.282 -1.506 324 HA CYS 43 HA CYS 43 3.247 -4.528 -1.609 325 1HB CYS 43 HB2 CYS 43 1.196 -2.576 -2.543 326 2HB CYS 43 HB1 CYS 43 2.771 -1.910 -2.129 327 OH TYR 44 OH TYR 44 4.006 -0.456 7.533 328 H TYR 44 HN TYR 44 4.420 -2.447 -0.671 329 HA TYR 44 HA TYR 44 3.152 -1.400 1.761 330 1HB TYR 44 HB2 TYR 44 4.245 -3.679 2.325 331 2HB TYR 44 HB1 TYR 44 5.778 -2.823 2.151 332 HD1 TYR 44 HD2 TYR 44 2.589 -2.939 3.999 333 HD2 TYR 44 HD1 TYR 44 6.475 -1.159 3.774 334 HE1 TYR 44 HE2 TYR 44 2.259 -1.962 6.237 335 HE2 TYR 44 HE1 TYR 44 6.161 -0.174 6.023 336 HH TYR 44 HH TYR 44 3.067 -0.481 7.732 337 H CYS 45 HN CYS 45 3.767 0.690 1.944 338 HA CYS 45 HA CYS 45 6.291 1.505 0.570 339 1HB CYS 45 HB2 CYS 45 3.936 3.261 1.282 340 2HB CYS 45 HB1 CYS 45 5.298 3.676 0.252 341 OH TYR 46 OH TYR 46 8.452 -2.079 5.892 342 H TYR 46 HN TYR 46 7.286 3.505 1.525 343 HA TYR 46 HA TYR 46 6.989 3.744 4.478 344 1HB TYR 46 HB2 TYR 46 9.537 3.175 2.958 345 2HB TYR 46 HB1 TYR 46 9.535 3.804 4.595 346 HD1 TYR 46 HD1 TYR 46 8.808 0.896 2.457 347 HD2 TYR 46 HD2 TYR 46 8.838 2.417 6.465 348 HE1 TYR 46 HE1 TYR 46 8.584 -1.409 3.339 349 HE2 TYR 46 HE2 TYR 46 8.603 0.116 7.350 350 HH TYR 46 HH TYR 46 7.627 -2.130 6.381 351 H GLY 47 HN GLY 47 6.365 5.896 4.509 352 1HA GLY 47 HA2 GLY 47 7.532 8.177 4.519 353 2HA GLY 47 HA1 GLY 47 7.953 7.812 2.849 354 H LEU 48 HN LEU 48 4.853 6.770 3.973 355 HA LEU 48 HA LEU 48 3.548 8.491 2.017 356 1HB LEU 48 HB2 LEU 48 2.412 6.592 4.092 357 2HB LEU 48 HB1 LEU 48 1.488 7.358 2.795 358 HG LEU 48 HG LEU 48 3.850 5.487 2.434 359 1HD1 LEU 48 HD11 LEU 48 0.892 5.190 2.392 360 2HD1 LEU 48 HD13 LEU 48 1.787 4.352 1.123 361 3HD1 LEU 48 HD12 LEU 48 2.136 4.013 2.819 362 1HD2 LEU 48 HD21 LEU 48 2.479 7.408 0.665 363 2HD2 LEU 48 HD23 LEU 48 4.066 6.658 0.493 364 3HD2 LEU 48 HD22 LEU 48 2.618 5.781 -0.004 365 HA PRO 49 HA PRO 49 2.641 11.948 4.508 366 1HB PRO 49 HB2 PRO 49 -0.066 12.158 3.508 367 2HB PRO 49 HB1 PRO 49 1.340 13.145 3.083 368 1HG PRO 49 HG2 PRO 49 0.066 11.162 1.453 369 2HG PRO 49 HG1 PRO 49 1.534 12.075 1.081 370 1HD PRO 49 HD2 PRO 49 1.308 9.273 1.784 371 2HD PRO 49 HD1 PRO 49 2.771 10.180 1.355 372 H ASP 50 HN ASP 50 1.411 12.474 6.414 373 HA ASP 50 HA ASP 50 0.487 10.306 7.952 374 1HB ASP 50 HB2 ASP 50 0.570 13.238 8.174 375 2HB ASP 50 HB1 ASP 50 -0.698 12.462 9.112 376 H ASN 51 HN ASN 51 -1.232 12.753 6.152 377 HA ASN 51 HA ASN 51 -3.815 11.602 6.757 378 1HB ASN 51 HB2 ASN 51 -4.505 13.467 5.056 379 2HB ASN 51 HB1 ASN 51 -3.961 13.918 6.657 380 1HD2 ASN 51 HD22 ASN 51 -1.856 16.142 4.886 381 2HD2 ASN 51 HD21 ASN 51 -3.293 15.989 5.780 382 H SER 52 HN SER 52 -1.659 10.238 5.023 383 HA SER 52 HA SER 52 -2.836 10.069 2.368 384 1HB SER 52 HB2 SER 52 -0.395 9.506 3.161 385 2HB SER 52 HB1 SER 52 -1.074 7.920 3.517 386 HG SER 52 HG SER 52 -0.200 8.255 1.333 387 HA PRO 53 HA PRO 53 -6.196 7.390 3.506 388 1HB PRO 53 HB2 PRO 53 -6.456 6.490 0.793 389 2HB PRO 53 HB1 PRO 53 -7.446 7.678 1.650 390 1HG PRO 53 HG2 PRO 53 -5.492 8.169 -0.418 391 2HG PRO 53 HG1 PRO 53 -6.513 9.347 0.418 392 1HD PRO 53 HD2 PRO 53 -3.683 8.942 0.734 393 2HD PRO 53 HD1 PRO 53 -4.719 10.094 1.600 394 H THR 54 HN THR 54 -4.799 5.820 4.644 395 HA THR 54 HA THR 54 -4.024 3.479 2.952 396 HB THR 54 HB THR 54 -2.593 2.813 4.878 397 HG1 THR 54 HG1 THR 54 -3.888 3.962 6.439 398 1HG2 THR 54 HG23 THR 54 -2.285 5.446 3.493 399 2HG2 THR 54 HG22 THR 54 -1.120 5.001 4.738 400 3HG2 THR 54 HG21 THR 54 -1.332 3.972 3.325 401 H LYS 55 HN LYS 55 -4.383 1.316 4.191 402 HA LYS 55 HA LYS 55 -7.125 1.035 4.793 403 1HB LYS 55 HB2 LYS 55 -5.787 -0.882 4.115 404 2HB LYS 55 HB1 LYS 55 -4.807 -0.749 5.575 405 1HG LYS 55 HG2 LYS 55 -6.340 -2.409 6.181 406 2HG LYS 55 HG1 LYS 55 -7.106 -0.956 6.824 407 1HD LYS 55 HD2 LYS 55 -7.933 -1.181 4.115 408 2HD LYS 55 HD1 LYS 55 -8.108 -2.781 4.835 409 1HE LYS 55 HE2 LYS 55 -9.305 -1.675 6.773 410 2HE LYS 55 HE1 LYS 55 -9.300 -0.183 5.836 411 1HZ LYS 55 HZ1 LYS 55 -10.448 -1.405 4.048 412 2HZ LYS 55 HZ3 LYS 55 -10.551 -2.761 5.060 413 3HZ LYS 55 HZ2 LYS 55 -11.360 -1.327 5.483 414 H THR 56 HN THR 56 -8.058 2.136 6.446 415 HA THR 56 HA THR 56 -6.679 2.187 9.094 416 HB THR 56 HB THR 56 -8.869 3.885 7.882 417 HG1 THR 56 HG1 THR 56 -6.188 4.174 8.541 418 1HG2 THR 56 HG22 THR 56 -8.575 3.169 10.618 419 2HG2 THR 56 HG21 THR 56 -8.031 4.835 10.450 420 3HG2 THR 56 HG23 THR 56 -9.651 4.381 9.926 421 H SER 57 HN SER 57 -10.002 2.252 8.021 422 HA SER 57 HA SER 57 -10.778 -0.291 8.990 423 1HB SER 57 HB2 SER 57 -12.241 0.926 10.904 424 2HB SER 57 HB1 SER 57 -10.661 0.220 11.227 425 HG SER 57 HG SER 57 -10.569 2.291 11.969 426 H GLY 58 HN GLY 58 -11.373 0.742 6.662 427 1HA GLY 58 HA2 GLY 58 -14.072 1.978 6.928 428 2HA GLY 58 HA1 GLY 58 -13.040 2.165 5.515 429 H LYS 59 HN LYS 59 -15.314 1.414 4.710 430 HA LYS 59 HA LYS 59 -15.818 -1.466 4.883 431 1HB LYS 59 HB2 LYS 59 -17.605 -0.828 3.121 432 2HB LYS 59 HB1 LYS 59 -17.788 -0.191 4.754 433 1HG LYS 59 HG2 LYS 59 -17.518 1.948 4.057 434 2HG LYS 59 HG1 LYS 59 -16.119 1.525 3.070 435 1HD LYS 59 HD2 LYS 59 -17.349 1.432 1.183 436 2HD LYS 59 HD1 LYS 59 -18.615 0.482 1.961 437 1HE LYS 59 HE2 LYS 59 -19.921 2.311 2.088 438 2HE LYS 59 HE1 LYS 59 -18.690 3.130 3.049 439 1HZ LYS 59 HZ3 LYS 59 -18.237 2.937 0.172 440 2HZ LYS 59 HZ2 LYS 59 -19.450 4.008 0.692 441 3HZ LYS 59 HZ1 LYS 59 -17.855 4.190 1.249 442 H CYS 60 HN CYS 60 -13.498 -1.852 3.844 443 HA CYS 60 HA CYS 60 -13.332 -1.400 0.967 444 1HB CYS 60 HB2 CYS 60 -11.206 -1.656 1.932 445 2HB CYS 60 HB1 CYS 60 -11.714 -2.985 2.962 446 H ASN 61 HN ASN 61 -13.294 -3.316 -0.575 447 HA ASN 61 HA ASN 61 -15.424 -5.249 0.263 448 1HB ASN 61 HB2 ASN 61 -16.068 -3.748 -1.592 449 2HB ASN 61 HB1 ASN 61 -14.695 -4.332 -2.532 450 1HD2 ASN 61 HD22 ASN 61 -17.726 -6.348 -3.460 451 2HD2 ASN 61 HD21 ASN 61 -17.351 -4.693 -3.501 452 HA PRO 62 HA PRO 62 -11.645 -7.799 -0.426 453 1HB PRO 62 HB2 PRO 62 -12.299 -9.425 1.782 454 2HB PRO 62 HB1 PRO 62 -11.068 -8.155 1.746 455 1HG PRO 62 HG2 PRO 62 -13.652 -8.126 3.102 456 2HG PRO 62 HG1 PRO 62 -12.332 -6.954 3.216 457 1HD PRO 62 HD2 PRO 62 -14.826 -6.645 1.822 458 2HD PRO 62 HD1 PRO 62 -13.469 -5.504 1.898 459 H ALA 63 HN ALA 63 -14.393 -9.334 1.147 460 HA ALA 63 HA ALA 63 -15.148 -10.751 -1.327 461 1HB ALA 63 HB3 ALA 63 -14.111 -12.155 1.149 462 2HB ALA 63 HB2 ALA 63 -15.042 -12.970 -0.108 463 3HB ALA 63 HB1 ALA 63 -13.473 -12.266 -0.492 Start of MODEL 15 Raw file had 463 H/Q atoms Start of MODEL 15 1 1H LYS 1 HT3 LYS 1 4.222 13.876 4.009 2 2H LYS 1 HT2 LYS 1 4.760 14.287 2.450 3 3H LYS 1 HT1 LYS 1 3.097 14.143 2.768 4 HA LYS 1 HA LYS 1 3.322 12.099 1.907 5 1HB LYS 1 HB2 LYS 1 5.631 10.933 2.062 6 2HB LYS 1 HB1 LYS 1 5.493 12.335 1.000 7 1HG LYS 1 HG2 LYS 1 6.573 13.761 2.548 8 2HG LYS 1 HG1 LYS 1 6.336 12.631 3.882 9 1HD LYS 1 HD2 LYS 1 7.807 11.004 2.521 10 2HD LYS 1 HD1 LYS 1 8.263 12.417 1.570 11 1HE LYS 1 HE2 LYS 1 8.378 12.792 4.500 12 2HE LYS 1 HE1 LYS 1 9.550 11.648 3.846 13 1HZ LYS 1 HZ2 LYS 1 9.370 13.946 2.201 14 2HZ LYS 1 HZ1 LYS 1 9.705 14.402 3.803 15 3HZ LYS 1 HZ3 LYS 1 10.725 13.308 3.003 16 H LYS 2 HN LYS 2 3.637 9.805 2.815 17 HA LYS 2 HA LYS 2 4.211 9.528 5.645 18 1HB LYS 2 HB2 LYS 2 1.804 8.760 6.168 19 2HB LYS 2 HB1 LYS 2 2.094 10.496 6.073 20 1HG LYS 2 HG2 LYS 2 0.318 10.468 4.646 21 2HG LYS 2 HG1 LYS 2 1.513 9.934 3.465 22 1HD LYS 2 HD2 LYS 2 0.749 7.775 3.462 23 2HD LYS 2 HD1 LYS 2 0.329 7.811 5.175 24 1HE LYS 2 HE2 LYS 2 -1.606 7.731 3.429 25 2HE LYS 2 HE1 LYS 2 -1.738 8.857 4.777 26 1HZ LYS 2 HZ2 LYS 2 -0.477 9.706 2.255 27 2HZ LYS 2 HZ1 LYS 2 -2.171 9.695 2.399 28 3HZ LYS 2 HZ3 LYS 2 -1.238 10.649 3.445 29 H ASP 3 HN ASP 3 4.062 7.323 6.353 30 HA ASP 3 HA ASP 3 4.346 5.361 4.160 31 1HB ASP 3 HB2 ASP 3 4.473 4.698 7.090 32 2HB ASP 3 HB1 ASP 3 5.413 4.024 5.756 33 H GLY 4 HN GLY 4 3.113 3.197 4.480 34 1HA GLY 4 HA2 GLY 4 1.053 2.538 6.087 35 2HA GLY 4 HA1 GLY 4 0.308 3.852 5.186 36 OH TYR 5 OH TYR 5 0.588 -3.159 7.982 37 H TYR 5 HN TYR 5 -1.075 1.740 4.779 38 HA TYR 5 HA TYR 5 0.002 0.120 2.540 39 1HB TYR 5 HB2 TYR 5 -2.716 -0.005 3.885 40 2HB TYR 5 HB1 TYR 5 -2.033 -1.204 2.791 41 HD1 TYR 5 HD1 TYR 5 -0.020 -2.537 3.511 42 HD2 TYR 5 HD2 TYR 5 -2.145 0.035 6.211 43 HE1 TYR 5 HE1 TYR 5 1.008 -3.716 5.431 44 HE2 TYR 5 HE2 TYR 5 -1.110 -1.134 8.138 45 HH TYR 5 HH TYR 5 0.977 -2.498 8.561 46 HA PRO 6 HA PRO 6 -1.912 3.280 -0.082 47 1HB PRO 6 HB2 PRO 6 -1.028 1.800 -2.377 48 2HB PRO 6 HB1 PRO 6 -0.346 3.296 -1.724 49 1HG PRO 6 HG2 PRO 6 0.799 0.652 -1.627 50 2HG PRO 6 HG1 PRO 6 1.473 2.150 -0.974 51 1HD PRO 6 HD2 PRO 6 0.321 -0.058 0.488 52 2HD PRO 6 HD1 PRO 6 1.025 1.435 1.137 53 H VAL 7 HN VAL 7 -4.069 3.170 -0.641 54 HA VAL 7 HA VAL 7 -5.118 0.556 -1.663 55 HB VAL 7 HB VAL 7 -7.206 0.964 -0.512 56 1HG1 VAL 7 HG13 VAL 7 -5.327 -0.059 0.773 57 2HG1 VAL 7 HG12 VAL 7 -4.902 1.540 1.376 58 3HG1 VAL 7 HG11 VAL 7 -6.454 0.819 1.802 59 1HG2 VAL 7 HG23 VAL 7 -5.943 3.646 0.006 60 2HG2 VAL 7 HG22 VAL 7 -7.565 3.277 -0.581 61 3HG2 VAL 7 HG21 VAL 7 -7.162 3.021 1.118 62 H ASP 8 HN ASP 8 -6.499 0.682 -3.445 63 HA ASP 8 HA ASP 8 -6.271 3.002 -5.116 64 1HB ASP 8 HB2 ASP 8 -7.826 1.882 -6.609 65 2HB ASP 8 HB1 ASP 8 -6.719 0.677 -5.952 66 H SER 9 HN SER 9 -8.838 3.530 -6.076 67 HA SER 9 HA SER 9 -9.801 5.389 -4.093 68 1HB SER 9 HB2 SER 9 -11.871 4.938 -5.968 69 2HB SER 9 HB1 SER 9 -10.709 6.259 -5.958 70 HG SER 9 HG SER 9 -10.650 3.810 -7.340 71 H GLY 10 HN GLY 10 -10.620 2.093 -4.935 72 1HA GLY 10 HA2 GLY 10 -13.146 2.040 -3.515 73 2HA GLY 10 HA1 GLY 10 -12.237 0.628 -4.052 74 H ASN 11 HN ASN 11 -9.898 2.115 -2.489 75 HA ASN 11 HA ASN 11 -9.103 2.164 -0.269 76 1HB ASN 11 HB2 ASN 11 -11.841 2.309 0.131 77 2HB ASN 11 HB1 ASN 11 -11.392 0.847 1.008 78 1HD2 ASN 11 HD22 ASN 11 -10.552 3.003 3.688 79 2HD2 ASN 11 HD21 ASN 11 -11.594 1.785 3.131 80 H CYS 12 HN CYS 12 -8.798 0.084 -2.157 81 HA CYS 12 HA CYS 12 -8.655 -2.328 -0.406 82 1HB CYS 12 HB2 CYS 12 -8.975 -1.949 -3.378 83 2HB CYS 12 HB1 CYS 12 -8.293 -3.441 -2.743 84 H LYS 13 HN LYS 13 -6.621 -2.295 0.476 85 HA LYS 13 HA LYS 13 -4.384 -0.985 -0.711 86 1HB LYS 13 HB2 LYS 13 -3.030 -2.258 0.974 87 2HB LYS 13 HB1 LYS 13 -4.403 -1.400 1.672 88 1HG LYS 13 HG2 LYS 13 -5.714 -3.584 1.406 89 2HG LYS 13 HG1 LYS 13 -4.158 -4.355 1.095 90 1HD LYS 13 HD2 LYS 13 -3.334 -3.813 3.253 91 2HD LYS 13 HD1 LYS 13 -4.615 -2.631 3.533 92 1HE LYS 13 HE2 LYS 13 -5.235 -4.569 4.785 93 2HE LYS 13 HE1 LYS 13 -6.259 -4.575 3.349 94 1HZ LYS 13 HZ1 LYS 13 -4.028 -5.899 2.555 95 2HZ LYS 13 HZ3 LYS 13 -4.234 -6.435 4.150 96 3HZ LYS 13 HZ2 LYS 13 -5.493 -6.622 3.025 97 OH TYR 14 OH TYR 14 -3.952 1.637 -6.049 98 H TYR 14 HN TYR 14 -2.557 -1.833 -1.790 99 HA TYR 14 HA TYR 14 -3.134 -4.122 -3.513 100 1HB TYR 14 HB2 TYR 14 -0.522 -2.605 -3.254 101 2HB TYR 14 HB1 TYR 14 -1.063 -3.580 -4.622 102 HD1 TYR 14 HD1 TYR 14 -1.693 -0.468 -2.701 103 HD2 TYR 14 HD2 TYR 14 -2.568 -2.700 -6.267 104 HE1 TYR 14 HE1 TYR 14 -2.816 1.517 -3.666 105 HE2 TYR 14 HE2 TYR 14 -3.692 -0.713 -7.235 106 HH TYR 14 HH TYR 14 -4.641 1.328 -6.642 107 H GLU 15 HN GLU 15 -2.616 -6.180 -3.030 108 HA GLU 15 HA GLU 15 -1.172 -6.794 -0.577 109 1HB GLU 15 HB2 GLU 15 -3.077 -8.089 -2.035 110 2HB GLU 15 HB1 GLU 15 -1.624 -8.971 -2.506 111 1HG GLU 15 HG2 GLU 15 -1.137 -8.931 0.092 112 2HG GLU 15 HG1 GLU 15 -2.884 -8.708 0.201 113 H CYS 16 HN CYS 16 0.658 -8.418 -0.625 114 HA CYS 16 HA CYS 16 2.315 -8.519 -3.028 115 1HB CYS 16 HB2 CYS 16 4.258 -7.377 -1.859 116 2HB CYS 16 HB1 CYS 16 2.943 -6.305 -2.340 117 H LEU 17 HN LEU 17 4.508 -9.582 -2.411 118 HA LEU 17 HA LEU 17 4.352 -11.203 0.061 119 1HB LEU 17 HB2 LEU 17 4.953 -13.258 -1.384 120 2HB LEU 17 HB1 LEU 17 3.269 -12.737 -1.370 121 HG LEU 17 HG LEU 17 4.476 -11.236 -3.411 122 1HD1 LEU 17 HD12 LEU 17 6.107 -13.445 -2.966 123 2HD1 LEU 17 HD11 LEU 17 5.057 -13.966 -4.285 124 3HD1 LEU 17 HD13 LEU 17 6.030 -12.504 -4.456 125 1HD2 LEU 17 HD21 LEU 17 2.173 -12.371 -3.185 126 2HD2 LEU 17 HD23 LEU 17 2.899 -12.362 -4.792 127 3HD2 LEU 17 HD22 LEU 17 2.960 -13.822 -3.805 128 H LYS 18 HN LYS 18 6.093 -9.151 -1.621 129 HA LYS 18 HA LYS 18 8.645 -10.233 -0.644 130 1HB LYS 18 HB2 LYS 18 8.085 -9.769 -3.583 131 2HB LYS 18 HB1 LYS 18 9.720 -9.815 -2.919 132 1HG LYS 18 HG2 LYS 18 7.669 -12.035 -2.672 133 2HG LYS 18 HG1 LYS 18 9.038 -12.031 -3.784 134 1HD LYS 18 HD2 LYS 18 10.215 -11.452 -1.343 135 2HD LYS 18 HD1 LYS 18 8.973 -12.630 -0.920 136 1HE LYS 18 HE2 LYS 18 9.816 -14.158 -2.658 137 2HE LYS 18 HE1 LYS 18 11.054 -12.982 -3.097 138 1HZ LYS 18 HZ2 LYS 18 10.754 -14.241 -0.424 139 2HZ LYS 18 HZ1 LYS 18 11.905 -14.683 -1.593 140 3HZ LYS 18 HZ3 LYS 18 11.969 -13.145 -0.881 141 H ASP 19 HN ASP 19 10.283 -8.564 -0.531 142 HA ASP 19 HA ASP 19 9.175 -5.916 -0.134 143 1HB ASP 19 HB2 ASP 19 11.272 -7.140 0.962 144 2HB ASP 19 HB1 ASP 19 12.123 -6.336 -0.358 145 H ASP 20 HN ASP 20 10.622 -7.571 -2.818 146 HA ASP 20 HA ASP 20 11.513 -5.229 -4.251 147 1HB ASP 20 HB2 ASP 20 11.922 -6.752 -6.016 148 2HB ASP 20 HB1 ASP 20 12.189 -7.706 -4.570 149 OH TYR 21 OH TYR 21 0.908 -5.368 -6.308 150 H TYR 21 HN TYR 21 8.590 -7.283 -4.404 151 HA TYR 21 HA TYR 21 7.291 -5.841 -6.492 152 1HB TYR 21 HB2 TYR 21 6.440 -7.999 -5.905 153 2HB TYR 21 HB1 TYR 21 6.251 -7.538 -4.213 154 HD1 TYR 21 HD1 TYR 21 4.481 -5.931 -3.537 155 HD2 TYR 21 HD2 TYR 21 4.799 -7.391 -7.565 156 HE1 TYR 21 HE1 TYR 21 2.180 -5.135 -4.004 157 HE2 TYR 21 HE2 TYR 21 2.496 -6.593 -8.033 158 HH TYR 21 HH TYR 21 0.924 -4.408 -6.326 159 H CYS 22 HN CYS 22 7.405 -5.372 -2.999 160 HA CYS 22 HA CYS 22 5.411 -3.285 -2.918 161 1HB CYS 22 HB2 CYS 22 6.966 -4.755 -1.069 162 2HB CYS 22 HB1 CYS 22 7.300 -3.053 -0.800 163 H ASN 23 HN ASN 23 8.944 -3.286 -3.162 164 HA ASN 23 HA ASN 23 9.335 -0.467 -2.828 165 1HB ASN 23 HB2 ASN 23 11.235 -2.009 -2.854 166 2HB ASN 23 HB1 ASN 23 10.847 -2.541 -4.481 167 1HD2 ASN 23 HD22 ASN 23 13.353 0.473 -4.178 168 2HD2 ASN 23 HD21 ASN 23 13.117 -0.755 -3.032 169 H ASP 24 HN ASP 24 9.350 -2.375 -5.805 170 HA ASP 24 HA ASP 24 9.206 -0.313 -7.689 171 1HB ASP 24 HB2 ASP 24 9.356 -2.777 -8.182 172 2HB ASP 24 HB1 ASP 24 7.633 -2.897 -7.861 173 H LEU 25 HN LEU 25 6.290 -2.157 -6.819 174 HA LEU 25 HA LEU 25 4.361 -0.414 -7.765 175 1HB LEU 25 HB2 LEU 25 3.751 -2.572 -6.844 176 2HB LEU 25 HB1 LEU 25 4.314 -2.099 -5.243 177 HG LEU 25 HG LEU 25 2.546 -0.130 -5.603 178 1HD1 LEU 25 HD13 LEU 25 1.997 -2.063 -7.733 179 2HD1 LEU 25 HD12 LEU 25 0.596 -1.781 -6.700 180 3HD1 LEU 25 HD11 LEU 25 1.374 -0.427 -7.519 181 1HD2 LEU 25 HD21 LEU 25 2.626 -2.621 -4.244 182 2HD2 LEU 25 HD23 LEU 25 1.624 -1.222 -3.855 183 3HD2 LEU 25 HD22 LEU 25 1.008 -2.476 -4.931 184 H CYS 26 HN CYS 26 6.335 -0.037 -4.895 185 HA CYS 26 HA CYS 26 4.779 2.061 -3.717 186 1HB CYS 26 HB2 CYS 26 7.391 0.744 -3.251 187 2HB CYS 26 HB1 CYS 26 7.214 2.345 -2.587 188 H LEU 27 HN LEU 27 7.680 2.015 -5.787 189 HA LEU 27 HA LEU 27 8.200 4.791 -5.733 190 1HB LEU 27 HB2 LEU 27 8.806 2.580 -7.688 191 2HB LEU 27 HB1 LEU 27 9.198 4.251 -8.092 192 HG LEU 27 HG LEU 27 10.098 2.868 -5.549 193 1HD1 LEU 27 HD12 LEU 27 11.077 2.608 -8.234 194 2HD1 LEU 27 HD11 LEU 27 12.265 3.506 -7.288 195 3HD1 LEU 27 HD13 LEU 27 11.739 1.910 -6.754 196 1HD2 LEU 27 HD22 LEU 27 10.708 5.534 -6.850 197 2HD2 LEU 27 HD21 LEU 27 10.037 5.244 -5.245 198 3HD2 LEU 27 HD23 LEU 27 11.720 4.840 -5.583 199 H GLU 28 HN GLU 28 5.994 2.799 -7.609 200 HA GLU 28 HA GLU 28 5.203 4.783 -9.480 201 1HB GLU 28 HB2 GLU 28 4.674 2.465 -9.909 202 2HB GLU 28 HB1 GLU 28 3.758 2.358 -8.406 203 1HG GLU 28 HG2 GLU 28 1.916 3.271 -9.341 204 2HG GLU 28 HG1 GLU 28 2.850 4.537 -10.140 205 NH1 ARG 29 NH2 ARG 29 -1.628 3.352 -6.442 206 NH2 ARG 29 NH1 ARG 29 -1.231 1.353 -7.410 207 H ARG 29 HN ARG 29 3.968 3.848 -6.333 208 HA ARG 29 HA ARG 29 1.888 5.874 -6.380 209 1HB ARG 29 HB2 ARG 29 2.671 3.649 -4.635 210 2HB ARG 29 HB1 ARG 29 2.058 5.057 -3.765 211 1HG ARG 29 HG2 ARG 29 -0.025 4.968 -4.819 212 2HG ARG 29 HG1 ARG 29 0.600 4.058 -6.193 213 1HD ARG 29 HD2 ARG 29 1.087 2.471 -3.914 214 2HD ARG 29 HD1 ARG 29 -0.563 3.062 -3.745 215 HE ARG 29 HE ARG 29 0.208 0.978 -5.467 216 1HH1 ARG 29 HH21 ARG 29 -1.502 3.993 -5.690 217 2HH1 ARG 29 HH22 ARG 29 -2.241 3.587 -7.196 218 1HH2 ARG 29 HH11 ARG 29 -0.788 0.457 -7.402 219 2HH2 ARG 29 HH12 ARG 29 -1.855 1.595 -8.152 220 H LYS 30 HN LYS 30 5.020 6.340 -6.290 221 HA LYS 30 HA LYS 30 6.307 8.172 -5.583 222 1HB LYS 30 HB2 LYS 30 3.996 9.351 -5.665 223 2HB LYS 30 HB1 LYS 30 3.991 9.135 -3.914 224 1HG LYS 30 HG2 LYS 30 6.476 10.237 -5.137 225 2HG LYS 30 HG1 LYS 30 5.073 11.302 -5.073 226 1HD LYS 30 HD2 LYS 30 5.054 10.225 -2.543 227 2HD LYS 30 HD1 LYS 30 6.785 10.318 -2.879 228 1HE LYS 30 HE2 LYS 30 5.356 12.713 -3.759 229 2HE LYS 30 HE1 LYS 30 5.185 12.428 -2.026 230 1HZ LYS 30 HZ2 LYS 30 7.609 12.188 -1.897 231 2HZ LYS 30 HZ1 LYS 30 7.733 12.565 -3.549 232 3HZ LYS 30 HZ3 LYS 30 7.150 13.725 -2.457 233 H ALA 31 HN ALA 31 7.086 6.082 -4.335 234 HA ALA 31 HA ALA 31 7.105 6.854 -1.459 235 1HB ALA 31 HB1 ALA 31 6.512 4.177 -2.664 236 2HB ALA 31 HB3 ALA 31 7.302 4.272 -1.089 237 3HB ALA 31 HB2 ALA 31 5.714 5.004 -1.326 238 H ASP 32 HN ASP 32 9.064 6.601 -0.458 239 HA ASP 32 HA ASP 32 11.397 6.350 -2.148 240 1HB ASP 32 HB2 ASP 32 10.902 7.821 0.029 241 2HB ASP 32 HB1 ASP 32 11.591 6.413 0.819 242 H LYS 33 HN LYS 33 9.987 4.593 0.603 243 HA LYS 33 HA LYS 33 11.562 2.197 -0.271 244 1HB LYS 33 HB2 LYS 33 12.613 3.042 1.748 245 2HB LYS 33 HB1 LYS 33 11.052 3.168 2.557 246 1HG LYS 33 HG2 LYS 33 11.015 0.546 1.815 247 2HG LYS 33 HG1 LYS 33 12.741 0.786 2.080 248 1HD LYS 33 HD2 LYS 33 11.633 2.083 4.247 249 2HD LYS 33 HD1 LYS 33 10.542 0.714 4.030 250 1HE LYS 33 HE2 LYS 33 12.075 -0.535 5.118 251 2HE LYS 33 HE1 LYS 33 13.087 -0.381 3.681 252 1HZ LYS 33 HZ1 LYS 33 13.730 1.867 4.743 253 2HZ LYS 33 HZ3 LYS 33 13.164 1.168 6.181 254 3HZ LYS 33 HZ2 LYS 33 14.440 0.439 5.329 255 H GLY 34 HN GLY 34 10.381 0.259 -0.303 256 1HA GLY 34 HA2 GLY 34 7.644 0.334 0.866 257 2HA GLY 34 HA1 GLY 34 7.847 -0.085 -0.830 258 OH TYR 35 OH TYR 35 5.721 -2.966 7.931 259 H TYR 35 HN TYR 35 7.540 -1.414 2.210 260 HA TYR 35 HA TYR 35 8.816 -3.928 1.232 261 1HB TYR 35 HB2 TYR 35 9.478 -4.586 3.360 262 2HB TYR 35 HB1 TYR 35 9.822 -2.883 3.358 263 HD1 TYR 35 HD1 TYR 35 7.452 -1.463 3.995 264 HD2 TYR 35 HD2 TYR 35 8.636 -5.353 5.372 265 HE1 TYR 35 HE1 TYR 35 6.020 -1.195 5.995 266 HE2 TYR 35 HE2 TYR 35 7.200 -5.082 7.373 267 HH TYR 35 HH TYR 35 4.819 -2.821 7.636 268 H CYS 36 HN CYS 36 7.817 -5.848 2.172 269 HA CYS 36 HA CYS 36 4.843 -5.511 2.154 270 1HB CYS 36 HB2 CYS 36 6.009 -6.870 0.341 271 2HB CYS 36 HB1 CYS 36 6.371 -8.047 1.593 272 OH TYR 37 OH TYR 37 1.580 -8.479 11.381 273 H TYR 37 HN TYR 37 3.684 -6.157 3.895 274 HA TYR 37 HA TYR 37 5.166 -7.454 6.135 275 1HB TYR 37 HB2 TYR 37 4.226 -5.367 6.818 276 2HB TYR 37 HB1 TYR 37 2.693 -5.710 6.024 277 HD1 TYR 37 HD2 TYR 37 4.426 -8.384 7.827 278 HD2 TYR 37 HD1 TYR 37 1.471 -5.282 8.136 279 HE1 TYR 37 HE2 TYR 37 3.577 -9.400 9.923 280 HE2 TYR 37 HE1 TYR 37 0.627 -6.297 10.235 281 HH TYR 37 HH TYR 37 2.072 -8.099 12.111 282 CH2 TRP 38 CH2 TRP 38 3.576 -16.379 3.170 283 H TRP 38 HN TRP 38 4.769 -9.592 6.384 284 HA TRP 38 HA TRP 38 2.839 -11.029 4.867 285 1HB TRP 38 HB2 TRP 38 4.754 -11.633 7.011 286 2HB TRP 38 HB1 TRP 38 3.329 -12.673 7.018 287 HD1 TRP 38 HD1 TRP 38 6.118 -11.488 4.638 288 HE1 TRP 38 HE1 TRP 38 6.447 -13.281 2.814 289 HE3 TRP 38 HE3 TRP 38 2.327 -14.685 5.853 290 HZ2 TRP 38 HZ2 TRP 38 5.256 -15.743 1.981 291 HZ3 TRP 38 HZ3 TRP 38 1.947 -16.745 4.530 292 HH2 TRP 38 HH2 TRP 38 3.405 -17.279 2.597 293 H GLY 39 HN GLY 39 2.773 -10.523 8.442 294 1HA GLY 39 HA2 GLY 39 0.217 -11.436 8.995 295 2HA GLY 39 HA1 GLY 39 0.882 -10.004 9.795 296 H LYS 40 HN LYS 40 -1.636 -11.042 7.841 297 HA LYS 40 HA LYS 40 -3.250 -9.831 6.616 298 1HB LYS 40 HB2 LYS 40 -2.787 -8.191 8.654 299 2HB LYS 40 HB1 LYS 40 -1.933 -7.248 7.433 300 1HG LYS 40 HG2 LYS 40 -3.902 -6.427 6.722 301 2HG LYS 40 HG1 LYS 40 -4.397 -8.062 6.275 302 1HD LYS 40 HD2 LYS 40 -4.725 -8.099 9.005 303 2HD LYS 40 HD1 LYS 40 -5.177 -6.440 8.606 304 1HE LYS 40 HE2 LYS 40 -6.273 -8.384 6.713 305 2HE LYS 40 HE1 LYS 40 -6.820 -8.669 8.366 306 1HZ LYS 40 HZ2 LYS 40 -6.939 -5.954 8.044 307 2HZ LYS 40 HZ1 LYS 40 -7.516 -6.570 6.570 308 3HZ LYS 40 HZ3 LYS 40 -8.254 -7.029 8.026 309 H VAL 41 HN VAL 41 -1.421 -10.873 5.129 310 HA VAL 41 HA VAL 41 0.631 -9.661 3.855 311 HB VAL 41 HB VAL 41 -0.173 -10.749 1.701 312 1HG1 VAL 41 HG12 VAL 41 1.033 -11.818 3.824 313 2HG1 VAL 41 HG11 VAL 41 -0.483 -12.712 3.939 314 3HG1 VAL 41 HG13 VAL 41 0.499 -12.826 2.479 315 1HG2 VAL 41 HG21 VAL 41 -2.647 -10.409 2.601 316 2HG2 VAL 41 HG23 VAL 41 -2.242 -11.808 1.606 317 3HG2 VAL 41 HG22 VAL 41 -2.353 -11.973 3.358 318 H SER 42 HN SER 42 0.814 -7.568 3.363 319 HA SER 42 HA SER 42 -0.893 -6.443 1.253 320 1HB SER 42 HB2 SER 42 -0.691 -4.820 3.782 321 2HB SER 42 HB1 SER 42 -1.846 -4.672 2.461 322 HG SER 42 HG SER 42 -2.448 -5.765 4.587 323 H CYS 43 HN CYS 43 -0.002 -4.243 0.602 324 HA CYS 43 HA CYS 43 2.952 -4.304 0.894 325 1HB CYS 43 HB2 CYS 43 1.163 -3.636 -1.243 326 2HB CYS 43 HB1 CYS 43 2.095 -2.195 -0.838 327 OH TYR 44 OH TYR 44 2.728 2.524 8.205 328 H TYR 44 HN TYR 44 4.100 -2.600 1.755 329 HA TYR 44 HA TYR 44 2.528 -0.384 2.987 330 1HB TYR 44 HB2 TYR 44 3.408 -2.298 4.515 331 2HB TYR 44 HB1 TYR 44 4.992 -1.576 4.250 332 HD1 TYR 44 HD2 TYR 44 1.633 -1.058 5.633 333 HD2 TYR 44 HD1 TYR 44 5.557 0.596 5.197 334 HE1 TYR 44 HE2 TYR 44 1.094 0.624 7.343 335 HE2 TYR 44 HE1 TYR 44 5.030 2.299 6.919 336 HH TYR 44 HH TYR 44 3.544 2.757 8.654 337 H CYS 45 HN CYS 45 3.170 1.411 1.825 338 HA CYS 45 HA CYS 45 5.932 1.572 0.792 339 1HB CYS 45 HB2 CYS 45 3.536 3.392 0.543 340 2HB CYS 45 HB1 CYS 45 5.114 3.800 -0.101 341 OH TYR 46 OH TYR 46 7.388 0.613 7.621 342 H TYR 46 HN TYR 46 6.867 3.883 0.992 343 HA TYR 46 HA TYR 46 6.496 5.067 3.686 344 1HB TYR 46 HB2 TYR 46 9.005 3.779 2.634 345 2HB TYR 46 HB1 TYR 46 9.099 5.088 3.807 346 HD1 TYR 46 HD2 TYR 46 8.090 4.828 6.050 347 HD2 TYR 46 HD1 TYR 46 8.244 1.580 3.251 348 HE1 TYR 46 HE2 TYR 46 7.607 3.233 7.884 349 HE2 TYR 46 HE1 TYR 46 7.768 -0.012 5.087 350 HH TYR 46 HH TYR 46 7.014 1.105 8.356 351 H GLY 47 HN GLY 47 5.781 6.972 2.639 352 1HA GLY 47 HA2 GLY 47 6.963 9.176 2.046 353 2HA GLY 47 HA1 GLY 47 7.734 8.247 0.763 354 H LEU 48 HN LEU 48 4.531 7.269 1.395 355 HA LEU 48 HA LEU 48 3.562 7.821 -1.186 356 1HB LEU 48 HB2 LEU 48 2.025 7.638 1.424 357 2HB LEU 48 HB1 LEU 48 1.302 7.536 -0.180 358 HG LEU 48 HG LEU 48 3.545 5.699 0.647 359 1HD1 LEU 48 HD13 LEU 48 0.572 5.421 1.124 360 2HD1 LEU 48 HD12 LEU 48 1.662 4.036 1.086 361 3HD1 LEU 48 HD11 LEU 48 1.873 5.291 2.308 362 1HD2 LEU 48 HD22 LEU 48 1.329 5.590 -1.424 363 2HD2 LEU 48 HD21 LEU 48 3.051 5.805 -1.738 364 3HD2 LEU 48 HD23 LEU 48 2.455 4.269 -1.105 365 HA PRO 49 HA PRO 49 2.693 12.078 -1.404 366 1HB PRO 49 HB2 PRO 49 -0.055 11.753 -2.270 367 2HB PRO 49 HB1 PRO 49 1.359 12.183 -3.243 368 1HG PRO 49 HG2 PRO 49 -0.046 9.690 -3.259 369 2HG PRO 49 HG1 PRO 49 1.444 10.082 -4.127 370 1HD PRO 49 HD2 PRO 49 1.119 8.376 -1.804 371 2HD PRO 49 HD1 PRO 49 2.597 8.691 -2.737 372 H ASP 50 HN ASP 50 1.467 13.765 -0.282 373 HA ASP 50 HA ASP 50 0.706 13.190 2.340 374 1HB ASP 50 HB2 ASP 50 0.647 15.469 0.564 375 2HB ASP 50 HB1 ASP 50 -0.765 15.440 1.612 376 H ASN 51 HN ASN 51 -1.485 14.039 -0.289 377 HA ASN 51 HA ASN 51 -3.818 13.125 1.085 378 1HB ASN 51 HB2 ASN 51 -4.815 13.410 -1.267 379 2HB ASN 51 HB1 ASN 51 -4.179 14.845 -0.487 380 1HD2 ASN 51 HD22 ASN 51 -2.650 15.127 -3.746 381 2HD2 ASN 51 HD21 ASN 51 -4.074 15.512 -2.903 382 H SER 52 HN SER 52 -1.371 11.369 -0.236 383 HA SER 52 HA SER 52 -2.287 9.430 -1.927 384 1HB SER 52 HB2 SER 52 -0.040 9.493 -0.768 385 2HB SER 52 HB1 SER 52 -0.812 8.727 0.618 386 HG SER 52 HG SER 52 -0.871 6.906 -0.440 387 HA PRO 53 HA PRO 53 -5.996 8.174 0.354 388 1HB PRO 53 HB2 PRO 53 -6.679 6.520 -1.887 389 2HB PRO 53 HB1 PRO 53 -7.398 8.070 -1.428 390 1HG PRO 53 HG2 PRO 53 -5.604 7.519 -3.641 391 2HG PRO 53 HG1 PRO 53 -6.406 9.041 -3.234 392 1HD PRO 53 HD2 PRO 53 -3.627 8.413 -2.937 393 2HD PRO 53 HD1 PRO 53 -4.457 9.899 -2.431 394 H THR 54 HN THR 54 -5.000 6.806 1.894 395 HA THR 54 HA THR 54 -4.201 4.094 0.935 396 HB THR 54 HB THR 54 -2.922 3.915 3.031 397 HG1 THR 54 HG1 THR 54 -3.804 6.574 3.468 398 1HG2 THR 54 HG21 THR 54 -2.144 5.238 0.874 399 2HG2 THR 54 HG23 THR 54 -2.196 6.618 1.971 400 3HG2 THR 54 HG22 THR 54 -1.156 5.241 2.334 401 H LYS 55 HN LYS 55 -4.541 2.471 2.970 402 HA LYS 55 HA LYS 55 -7.202 1.815 3.156 403 1HB LYS 55 HB2 LYS 55 -4.873 0.937 4.406 404 2HB LYS 55 HB1 LYS 55 -5.917 1.412 5.745 405 1HG LYS 55 HG2 LYS 55 -6.833 -0.367 3.470 406 2HG LYS 55 HG1 LYS 55 -6.205 -0.988 4.996 407 1HD LYS 55 HD2 LYS 55 -7.982 0.115 6.238 408 2HD LYS 55 HD1 LYS 55 -8.569 0.899 4.771 409 1HE LYS 55 HE2 LYS 55 -8.339 -2.073 4.710 410 2HE LYS 55 HE1 LYS 55 -9.637 -1.392 5.690 411 1HZ LYS 55 HZ1 LYS 55 -9.127 -0.732 2.842 412 2HZ LYS 55 HZ3 LYS 55 -10.318 -1.805 3.393 413 3HZ LYS 55 HZ2 LYS 55 -10.412 -0.156 3.792 414 H THR 56 HN THR 56 -8.634 3.539 3.402 415 HA THR 56 HA THR 56 -8.361 5.458 5.580 416 HB THR 56 HB THR 56 -11.029 5.149 4.368 417 HG1 THR 56 HG1 THR 56 -10.409 5.632 2.325 418 1HG2 THR 56 HG22 THR 56 -10.072 7.112 5.690 419 2HG2 THR 56 HG21 THR 56 -9.100 7.472 4.264 420 3HG2 THR 56 HG23 THR 56 -10.861 7.521 4.168 421 H SER 57 HN SER 57 -11.105 5.501 6.459 422 HA SER 57 HA SER 57 -10.980 3.294 8.359 423 1HB SER 57 HB2 SER 57 -13.302 4.635 8.927 424 2HB SER 57 HB1 SER 57 -11.732 5.013 9.626 425 HG SER 57 HG SER 57 -11.747 6.801 8.540 426 H GLY 58 HN GLY 58 -11.397 2.212 5.905 427 1HA GLY 58 HA2 GLY 58 -14.207 1.267 6.131 428 2HA GLY 58 HA1 GLY 58 -13.637 1.837 4.561 429 H LYS 59 HN LYS 59 -14.267 -0.536 4.091 430 HA LYS 59 HA LYS 59 -11.919 -2.295 4.671 431 1HB LYS 59 HB2 LYS 59 -14.829 -2.993 4.196 432 2HB LYS 59 HB1 LYS 59 -13.536 -4.192 4.200 433 1HG LYS 59 HG2 LYS 59 -13.869 -4.319 6.435 434 2HG LYS 59 HG1 LYS 59 -13.053 -2.756 6.519 435 1HD LYS 59 HD2 LYS 59 -14.966 -1.926 7.386 436 2HD LYS 59 HD1 LYS 59 -15.679 -2.127 5.786 437 1HE LYS 59 HE2 LYS 59 -17.062 -3.258 7.467 438 2HE LYS 59 HE1 LYS 59 -16.331 -4.444 6.383 439 1HZ LYS 59 HZ1 LYS 59 -15.139 -3.665 8.983 440 2HZ LYS 59 HZ3 LYS 59 -16.193 -4.980 8.804 441 3HZ LYS 59 HZ2 LYS 59 -14.702 -4.972 7.991 442 H CYS 60 HN CYS 60 -11.479 -3.886 2.876 443 HA CYS 60 HA CYS 60 -11.245 -2.485 0.358 444 1HB CYS 60 HB2 CYS 60 -9.516 -4.039 0.954 445 2HB CYS 60 HB1 CYS 60 -10.683 -5.338 1.199 446 H ASN 61 HN ASN 61 -13.552 -2.066 -0.126 447 HA ASN 61 HA ASN 61 -15.357 -4.282 -0.563 448 1HB ASN 61 HB2 ASN 61 -16.923 -2.625 -1.111 449 2HB ASN 61 HB1 ASN 61 -15.888 -1.819 0.050 450 1HD2 ASN 61 HD22 ASN 61 -16.360 0.007 -3.385 451 2HD2 ASN 61 HD21 ASN 61 -17.482 -1.004 -2.608 452 HA PRO 62 HA PRO 62 -13.670 -5.282 -4.570 453 1HB PRO 62 HB2 PRO 62 -16.046 -6.792 -5.166 454 2HB PRO 62 HB1 PRO 62 -14.454 -7.411 -4.707 455 1HG PRO 62 HG2 PRO 62 -16.849 -7.383 -3.113 456 2HG PRO 62 HG1 PRO 62 -15.245 -7.960 -2.641 457 1HD PRO 62 HD2 PRO 62 -16.594 -5.553 -1.780 458 2HD PRO 62 HD1 PRO 62 -15.003 -6.156 -1.274 459 H ALA 63 HN ALA 63 -15.504 -5.760 -6.740 460 HA ALA 63 HA ALA 63 -16.684 -4.557 -8.371 461 1HB ALA 63 HB1 ALA 63 -18.012 -4.116 -5.901 462 2HB ALA 63 HB3 ALA 63 -17.938 -2.558 -6.723 463 3HB ALA 63 HB2 ALA 63 -18.678 -3.944 -7.525 Start of MODEL 16 Raw file had 463 H/Q atoms Start of MODEL 16 1 1H LYS 1 HT1 LYS 1 3.310 14.308 4.207 2 2H LYS 1 HT3 LYS 1 4.769 14.737 3.453 3 3H LYS 1 HT2 LYS 1 3.326 14.709 2.556 4 HA LYS 1 HA LYS 1 3.559 12.570 2.078 5 1HB LYS 1 HB2 LYS 1 6.155 13.289 3.371 6 2HB LYS 1 HB1 LYS 1 5.852 11.585 3.037 7 1HG LYS 1 HG2 LYS 1 5.763 11.911 0.733 8 2HG LYS 1 HG1 LYS 1 5.329 13.614 0.887 9 1HD LYS 1 HD2 LYS 1 7.528 13.976 0.415 10 2HD LYS 1 HD1 LYS 1 7.771 13.579 2.116 11 1HE LYS 1 HE2 LYS 1 9.071 11.869 1.439 12 2HE LYS 1 HE1 LYS 1 7.610 11.100 0.815 13 1HZ LYS 1 HZ2 LYS 1 7.976 12.546 -1.220 14 2HZ LYS 1 HZ1 LYS 1 9.545 12.808 -0.624 15 3HZ LYS 1 HZ3 LYS 1 9.036 11.235 -1.005 16 H LYS 2 HN LYS 2 3.803 10.277 3.053 17 HA LYS 2 HA LYS 2 3.666 9.959 5.908 18 1HB LYS 2 HB2 LYS 2 1.270 9.357 6.073 19 2HB LYS 2 HB1 LYS 2 1.486 11.046 5.608 20 1HG LYS 2 HG2 LYS 2 -0.149 10.280 4.097 21 2HG LYS 2 HG1 LYS 2 1.345 10.162 3.168 22 1HD LYS 2 HD2 LYS 2 1.072 7.942 2.938 23 2HD LYS 2 HD1 LYS 2 0.980 7.745 4.688 24 1HE LYS 2 HE2 LYS 2 -1.073 6.971 3.410 25 2HE LYS 2 HE1 LYS 2 -1.387 8.139 4.693 26 1HZ LYS 2 HZ2 LYS 2 -0.787 9.289 2.109 27 2HZ LYS 2 HZ1 LYS 2 -2.241 8.408 2.170 28 3HZ LYS 2 HZ3 LYS 2 -1.989 9.707 3.233 29 H ASP 3 HN ASP 3 3.650 7.753 6.494 30 HA ASP 3 HA ASP 3 4.038 5.843 4.250 31 1HB ASP 3 HB2 ASP 3 4.272 5.027 7.107 32 2HB ASP 3 HB1 ASP 3 5.300 4.606 5.738 33 H GLY 4 HN GLY 4 2.688 3.832 4.253 34 1HA GLY 4 HA2 GLY 4 0.742 3.187 6.163 35 2HA GLY 4 HA1 GLY 4 -0.022 4.386 5.133 36 OH TYR 5 OH TYR 5 0.442 -3.520 7.146 37 H TYR 5 HN TYR 5 -1.516 2.662 4.669 38 HA TYR 5 HA TYR 5 -0.516 0.548 2.821 39 1HB TYR 5 HB2 TYR 5 -2.966 0.877 4.548 40 2HB TYR 5 HB1 TYR 5 -2.967 -0.264 3.214 41 HD1 TYR 5 HD1 TYR 5 -0.159 -1.225 3.254 42 HD2 TYR 5 HD2 TYR 5 -2.891 -0.483 6.484 43 HE1 TYR 5 HE1 TYR 5 1.053 -2.870 4.659 44 HE2 TYR 5 HE2 TYR 5 -1.675 -2.127 7.890 45 HH TYR 5 HH TYR 5 -0.132 -3.773 7.872 46 HA PRO 6 HA PRO 6 -2.290 3.476 -0.177 47 1HB PRO 6 HB2 PRO 6 -0.914 2.184 -2.275 48 2HB PRO 6 HB1 PRO 6 -0.408 3.652 -1.430 49 1HG PRO 6 HG2 PRO 6 0.745 0.979 -1.259 50 2HG PRO 6 HG1 PRO 6 1.351 2.487 -0.562 51 1HD PRO 6 HD2 PRO 6 0.055 0.311 0.809 52 2HD PRO 6 HD1 PRO 6 0.648 1.834 1.501 53 H VAL 7 HN VAL 7 -4.309 3.071 -0.973 54 HA VAL 7 HA VAL 7 -4.901 0.332 -2.043 55 HB VAL 7 HB VAL 7 -7.268 0.820 -1.595 56 1HG1 VAL 7 HG12 VAL 7 -5.736 -0.183 0.148 57 2HG1 VAL 7 HG11 VAL 7 -5.588 1.426 0.848 58 3HG1 VAL 7 HG13 VAL 7 -7.159 0.627 0.802 59 1HG2 VAL 7 HG23 VAL 7 -6.129 3.502 -1.090 60 2HG2 VAL 7 HG22 VAL 7 -7.744 3.051 -1.633 61 3HG2 VAL 7 HG21 VAL 7 -7.339 2.979 0.082 62 H ASP 8 HN ASP 8 -5.858 0.187 -4.108 63 HA ASP 8 HA ASP 8 -5.210 2.277 -5.944 64 1HB ASP 8 HB2 ASP 8 -6.212 0.930 -7.620 65 2HB ASP 8 HB1 ASP 8 -5.586 -0.219 -6.442 66 H SER 9 HN SER 9 -7.378 2.788 -7.532 67 HA SER 9 HA SER 9 -8.740 4.842 -6.074 68 1HB SER 9 HB2 SER 9 -10.311 4.568 -8.241 69 2HB SER 9 HB1 SER 9 -8.737 5.356 -8.308 70 HG SER 9 HG SER 9 -9.567 2.922 -9.310 71 H GLY 10 HN GLY 10 -9.466 1.475 -6.563 72 1HA GLY 10 HA2 GLY 10 -12.295 1.760 -5.864 73 2HA GLY 10 HA1 GLY 10 -11.442 0.241 -6.120 74 H ASN 11 HN ASN 11 -9.414 1.725 -4.072 75 HA ASN 11 HA ASN 11 -9.206 1.849 -1.720 76 1HB ASN 11 HB2 ASN 11 -11.743 2.377 -1.763 77 2HB ASN 11 HB1 ASN 11 -11.967 0.660 -1.422 78 1HD2 ASN 11 HD22 ASN 11 -11.744 2.465 1.848 79 2HD2 ASN 11 HD21 ASN 11 -12.781 2.552 0.506 80 H CYS 12 HN CYS 12 -8.221 -0.195 -3.239 81 HA CYS 12 HA CYS 12 -8.638 -2.574 -1.481 82 1HB CYS 12 HB2 CYS 12 -8.740 -2.344 -4.376 83 2HB CYS 12 HB1 CYS 12 -7.503 -3.489 -3.860 84 H LYS 13 HN LYS 13 -6.898 -2.678 -0.184 85 HA LYS 13 HA LYS 13 -4.441 -1.353 -0.640 86 1HB LYS 13 HB2 LYS 13 -5.590 -2.977 1.383 87 2HB LYS 13 HB1 LYS 13 -4.013 -3.667 0.998 88 1HG LYS 13 HG2 LYS 13 -4.583 -0.786 1.729 89 2HG LYS 13 HG1 LYS 13 -3.743 -1.975 2.726 90 1HD LYS 13 HD2 LYS 13 -2.798 -1.012 0.011 91 2HD LYS 13 HD1 LYS 13 -2.151 -0.475 1.555 92 1HE LYS 13 HE2 LYS 13 -1.380 -2.693 2.080 93 2HE LYS 13 HE1 LYS 13 -2.192 -3.366 0.665 94 1HZ LYS 13 HZ3 LYS 13 -0.758 -1.765 -0.655 95 2HZ LYS 13 HZ2 LYS 13 0.162 -1.578 0.762 96 3HZ LYS 13 HZ1 LYS 13 0.025 -3.104 0.030 97 OH TYR 14 OH TYR 14 -3.030 1.616 -6.145 98 H TYR 14 HN TYR 14 -2.663 -1.882 -1.851 99 HA TYR 14 HA TYR 14 -2.715 -4.158 -3.605 100 1HB TYR 14 HB2 TYR 14 -0.236 -2.644 -2.710 101 2HB TYR 14 HB1 TYR 14 -0.437 -3.583 -4.188 102 HD1 TYR 14 HD2 TYR 14 -2.328 -2.873 -5.805 103 HD2 TYR 14 HD1 TYR 14 -0.770 -0.338 -2.709 104 HE1 TYR 14 HE2 TYR 14 -3.242 -0.883 -6.972 105 HE2 TYR 14 HE1 TYR 14 -1.685 1.648 -3.876 106 HH TYR 14 HH TYR 14 -3.692 1.314 -6.771 107 H GLU 15 HN GLU 15 -1.715 -6.194 -3.374 108 HA GLU 15 HA GLU 15 -1.343 -7.066 -0.611 109 1HB GLU 15 HB2 GLU 15 -0.701 -8.680 -3.066 110 2HB GLU 15 HB1 GLU 15 -1.224 -9.252 -1.482 111 1HG GLU 15 HG2 GLU 15 -2.917 -7.612 -3.390 112 2HG GLU 15 HG1 GLU 15 -3.067 -9.350 -3.138 113 H CYS 16 HN CYS 16 0.663 -8.843 -0.596 114 HA CYS 16 HA CYS 16 3.088 -7.751 -1.783 115 1HB CYS 16 HB2 CYS 16 4.178 -7.024 0.189 116 2HB CYS 16 HB1 CYS 16 2.579 -6.296 0.252 117 H LEU 17 HN LEU 17 4.778 -9.225 -1.734 118 HA LEU 17 HA LEU 17 4.266 -11.783 -0.275 119 1HB LEU 17 HB2 LEU 17 5.734 -11.759 -2.894 120 2HB LEU 17 HB1 LEU 17 4.805 -13.060 -2.148 121 HG LEU 17 HG LEU 17 2.839 -11.232 -2.466 122 1HD1 LEU 17 HD13 LEU 17 4.760 -9.858 -3.690 123 2HD1 LEU 17 HD12 LEU 17 4.321 -10.900 -5.045 124 3HD1 LEU 17 HD11 LEU 17 3.108 -9.854 -4.307 125 1HD2 LEU 17 HD23 LEU 17 3.909 -13.285 -4.415 126 2HD2 LEU 17 HD22 LEU 17 2.599 -13.477 -3.250 127 3HD2 LEU 17 HD21 LEU 17 2.375 -12.455 -4.669 128 H LYS 18 HN LYS 18 6.745 -9.787 -1.901 129 HA LYS 18 HA LYS 18 8.651 -10.637 0.242 130 1HB LYS 18 HB2 LYS 18 9.165 -10.279 -2.721 131 2HB LYS 18 HB1 LYS 18 10.456 -10.372 -1.524 132 1HG LYS 18 HG2 LYS 18 10.221 -12.613 -1.281 133 2HG LYS 18 HG1 LYS 18 8.460 -12.509 -1.252 134 1HD LYS 18 HD2 LYS 18 8.332 -13.126 -3.414 135 2HD LYS 18 HD1 LYS 18 9.452 -11.849 -3.887 136 1HE LYS 18 HE2 LYS 18 10.095 -14.667 -3.015 137 2HE LYS 18 HE1 LYS 18 10.551 -13.853 -4.511 138 1HZ LYS 18 HZ3 LYS 18 11.627 -12.231 -2.687 139 2HZ LYS 18 HZ2 LYS 18 11.768 -13.724 -1.887 140 3HZ LYS 18 HZ1 LYS 18 12.465 -13.511 -3.421 141 H ASP 19 HN ASP 19 10.255 -8.982 0.789 142 HA ASP 19 HA ASP 19 9.180 -6.364 1.019 143 1HB ASP 19 HB2 ASP 19 10.919 -7.113 2.527 144 2HB ASP 19 HB1 ASP 19 12.049 -7.315 1.188 145 H ASP 20 HN ASP 20 11.255 -7.758 -1.483 146 HA ASP 20 HA ASP 20 12.003 -5.277 -2.703 147 1HB ASP 20 HB2 ASP 20 11.983 -6.983 -4.812 148 2HB ASP 20 HB1 ASP 20 13.304 -6.891 -3.659 149 OH TYR 21 OH TYR 21 1.862 -5.243 -6.307 150 H TYR 21 HN TYR 21 9.077 -7.243 -2.962 151 HA TYR 21 HA TYR 21 8.078 -5.938 -5.337 152 1HB TYR 21 HB2 TYR 21 7.077 -8.034 -4.633 153 2HB TYR 21 HB1 TYR 21 6.638 -7.345 -3.070 154 HD1 TYR 21 HD2 TYR 21 6.402 -5.623 -6.362 155 HD2 TYR 21 HD1 TYR 21 4.250 -7.523 -3.168 156 HE1 TYR 21 HE2 TYR 21 4.266 -4.805 -7.315 157 HE2 TYR 21 HE1 TYR 21 2.114 -6.701 -4.118 158 HH TYR 21 HH TYR 21 1.532 -5.909 -6.915 159 H CYS 22 HN CYS 22 7.189 -5.528 -1.900 160 HA CYS 22 HA CYS 22 5.561 -3.267 -2.174 161 1HB CYS 22 HB2 CYS 22 7.497 -3.972 0.036 162 2HB CYS 22 HB1 CYS 22 6.316 -2.672 0.146 163 H ASN 23 HN ASN 23 9.091 -3.328 -1.697 164 HA ASN 23 HA ASN 23 9.496 -0.521 -1.665 165 1HB ASN 23 HB2 ASN 23 11.186 -2.397 -1.236 166 2HB ASN 23 HB1 ASN 23 11.358 -2.533 -2.976 167 1HD2 ASN 23 HD22 ASN 23 13.911 -0.083 -2.625 168 2HD2 ASN 23 HD21 ASN 23 13.574 -1.715 -2.943 169 H ASP 24 HN ASP 24 9.602 -2.778 -4.387 170 HA ASP 24 HA ASP 24 10.115 -0.868 -6.437 171 1HB ASP 24 HB2 ASP 24 10.130 -3.376 -6.708 172 2HB ASP 24 HB1 ASP 24 8.374 -3.337 -6.714 173 H LEU 25 HN LEU 25 6.937 -2.405 -6.048 174 HA LEU 25 HA LEU 25 5.371 -0.604 -7.438 175 1HB LEU 25 HB2 LEU 25 4.389 -2.609 -6.556 176 2HB LEU 25 HB1 LEU 25 4.781 -2.148 -4.902 177 HG LEU 25 HG LEU 25 3.188 -0.084 -6.155 178 1HD1 LEU 25 HD13 LEU 25 2.301 -2.941 -6.427 179 2HD1 LEU 25 HD12 LEU 25 1.096 -1.704 -6.068 180 3HD1 LEU 25 HD11 LEU 25 2.065 -1.592 -7.538 181 1HD2 LEU 25 HD21 LEU 25 3.615 -1.071 -3.651 182 2HD2 LEU 25 HD23 LEU 25 2.225 -0.070 -4.073 183 3HD2 LEU 25 HD22 LEU 25 2.066 -1.826 -4.028 184 H CYS 26 HN CYS 26 6.455 -0.321 -4.103 185 HA CYS 26 HA CYS 26 5.022 1.949 -3.295 186 1HB CYS 26 HB2 CYS 26 7.566 0.610 -2.481 187 2HB CYS 26 HB1 CYS 26 7.217 2.173 -1.807 188 H LEU 27 HN LEU 27 8.175 1.659 -4.855 189 HA LEU 27 HA LEU 27 8.899 4.393 -4.748 190 1HB LEU 27 HB2 LEU 27 9.718 2.079 -6.496 191 2HB LEU 27 HB1 LEU 27 10.369 3.695 -6.770 192 HG LEU 27 HG LEU 27 10.440 2.393 -4.045 193 1HD1 LEU 27 HD11 LEU 27 12.026 1.794 -6.445 194 2HD1 LEU 27 HD13 LEU 27 13.007 2.237 -5.049 195 3HD1 LEU 27 HD12 LEU 27 11.878 0.886 -4.941 196 1HD2 LEU 27 HD23 LEU 27 10.802 4.912 -4.434 197 2HD2 LEU 27 HD22 LEU 27 12.072 4.061 -3.556 198 3HD2 LEU 27 HD21 LEU 27 12.291 4.455 -5.261 199 H GLU 28 HN GLU 28 7.241 2.506 -7.281 200 HA GLU 28 HA GLU 28 7.084 4.600 -9.165 201 1HB GLU 28 HB2 GLU 28 6.309 2.007 -9.183 202 2HB GLU 28 HB1 GLU 28 4.742 2.802 -9.006 203 1HG GLU 28 HG2 GLU 28 6.034 4.339 -10.929 204 2HG GLU 28 HG1 GLU 28 6.512 2.691 -11.332 205 NH1 ARG 29 NH2 ARG 29 0.644 2.610 -4.580 206 NH2 ARG 29 NH1 ARG 29 -0.569 4.085 -5.784 207 H ARG 29 HN ARG 29 5.186 3.909 -6.335 208 HA ARG 29 HA ARG 29 3.072 5.762 -6.933 209 1HB ARG 29 HB2 ARG 29 3.649 5.328 -4.071 210 2HB ARG 29 HB1 ARG 29 2.134 5.151 -4.947 211 1HG ARG 29 HG2 ARG 29 4.427 3.170 -4.907 212 2HG ARG 29 HG1 ARG 29 2.863 2.976 -4.133 213 1HD ARG 29 HD2 ARG 29 3.438 3.093 -7.096 214 2HD ARG 29 HD1 ARG 29 2.751 1.746 -6.197 215 HE ARG 29 HE ARG 29 1.297 3.913 -7.361 216 1HH1 ARG 29 HH21 ARG 29 1.446 2.025 -4.485 217 2HH1 ARG 29 HH22 ARG 29 -0.068 2.598 -3.880 218 1HH2 ARG 29 HH11 ARG 29 -0.689 4.638 -6.608 219 2HH2 ARG 29 HH12 ARG 29 -1.285 4.064 -5.086 220 H LYS 30 HN LYS 30 6.217 6.026 -5.656 221 HA LYS 30 HA LYS 30 7.373 8.217 -5.806 222 1HB LYS 30 HB2 LYS 30 5.348 9.566 -6.143 223 2HB LYS 30 HB1 LYS 30 4.832 9.229 -4.489 224 1HG LYS 30 HG2 LYS 30 7.573 10.309 -4.749 225 2HG LYS 30 HG1 LYS 30 6.282 11.424 -5.196 226 1HD LYS 30 HD2 LYS 30 5.650 9.958 -2.750 227 2HD LYS 30 HD1 LYS 30 7.149 10.875 -2.600 228 1HE LYS 30 HE2 LYS 30 5.953 12.890 -3.471 229 2HE LYS 30 HE1 LYS 30 4.453 11.962 -3.461 230 1HZ LYS 30 HZ3 LYS 30 5.061 11.507 -1.027 231 2HZ LYS 30 HZ2 LYS 30 6.102 12.840 -1.180 232 3HZ LYS 30 HZ1 LYS 30 4.433 13.030 -1.428 233 H ALA 31 HN ALA 31 6.255 6.065 -3.588 234 HA ALA 31 HA ALA 31 7.059 7.348 -1.124 235 1HB ALA 31 HB2 ALA 31 5.770 4.977 -1.788 236 2HB ALA 31 HB1 ALA 31 7.315 4.446 -1.123 237 3HB ALA 31 HB3 ALA 31 6.253 5.479 -0.168 238 H ASP 32 HN ASP 32 9.003 7.184 -0.028 239 HA ASP 32 HA ASP 32 11.396 6.992 -1.527 240 1HB ASP 32 HB2 ASP 32 10.801 8.034 0.846 241 2HB ASP 32 HB1 ASP 32 11.366 6.471 1.410 242 H LYS 33 HN LYS 33 9.788 4.778 0.725 243 HA LYS 33 HA LYS 33 10.853 2.454 -0.706 244 1HB LYS 33 HB2 LYS 33 12.041 1.500 1.230 245 2HB LYS 33 HB1 LYS 33 12.766 3.036 0.750 246 1HG LYS 33 HG2 LYS 33 12.571 3.473 2.992 247 2HG LYS 33 HG1 LYS 33 10.943 3.953 2.512 248 1HD LYS 33 HD2 LYS 33 10.239 2.443 4.047 249 2HD LYS 33 HD1 LYS 33 10.677 1.228 2.845 250 1HE LYS 33 HE2 LYS 33 12.552 0.591 3.980 251 2HE LYS 33 HE1 LYS 33 12.915 2.239 4.500 252 1HZ LYS 33 HZ1 LYS 33 10.659 0.673 5.607 253 2HZ LYS 33 HZ3 LYS 33 12.210 0.647 6.292 254 3HZ LYS 33 HZ2 LYS 33 11.341 2.105 6.220 255 H GLY 34 HN GLY 34 10.080 0.380 0.483 256 1HA GLY 34 HA2 GLY 34 7.963 0.609 2.433 257 2HA GLY 34 HA1 GLY 34 7.298 0.418 0.814 258 OH TYR 35 OH TYR 35 5.984 -2.006 8.463 259 H TYR 35 HN TYR 35 7.310 -1.471 3.174 260 HA TYR 35 HA TYR 35 8.623 -3.750 1.748 261 1HB TYR 35 HB2 TYR 35 8.988 -4.829 3.929 262 2HB TYR 35 HB1 TYR 35 9.815 -3.285 3.839 263 HD1 TYR 35 HD2 TYR 35 6.610 -4.838 4.953 264 HD2 TYR 35 HD1 TYR 35 9.419 -1.635 5.491 265 HE1 TYR 35 HE2 TYR 35 5.358 -4.078 6.953 266 HE2 TYR 35 HE1 TYR 35 8.166 -0.875 7.493 267 HH TYR 35 HH TYR 35 5.264 -2.624 8.613 268 H CYS 36 HN CYS 36 7.669 -5.868 2.802 269 HA CYS 36 HA CYS 36 4.757 -5.723 2.331 270 1HB CYS 36 HB2 CYS 36 5.839 -7.298 0.984 271 2HB CYS 36 HB1 CYS 36 6.831 -7.892 2.301 272 OH TYR 37 OH TYR 37 2.091 -4.999 12.138 273 H TYR 37 HN TYR 37 3.702 -5.224 4.164 274 HA TYR 37 HA TYR 37 4.469 -6.222 6.776 275 1HB TYR 37 HB2 TYR 37 2.990 -4.156 6.138 276 2HB TYR 37 HB1 TYR 37 1.683 -5.330 6.021 277 HD1 TYR 37 HD2 TYR 37 2.131 -7.211 8.149 278 HD2 TYR 37 HD1 TYR 37 2.815 -2.970 8.120 279 HE1 TYR 37 HE2 TYR 37 1.895 -7.156 10.619 280 HE2 TYR 37 HE1 TYR 37 2.579 -2.913 10.588 281 HH TYR 37 HH TYR 37 1.446 -4.324 12.360 282 CH2 TRP 38 CH2 TRP 38 3.254 -15.591 3.691 283 H TRP 38 HN TRP 38 4.681 -8.478 6.456 284 HA TRP 38 HA TRP 38 2.895 -10.158 5.091 285 1HB TRP 38 HB2 TRP 38 5.189 -10.468 6.755 286 2HB TRP 38 HB1 TRP 38 3.975 -11.620 7.300 287 HD1 TRP 38 HD1 TRP 38 6.041 -10.643 4.245 288 HE1 TRP 38 HE1 TRP 38 5.978 -12.564 2.528 289 HE3 TRP 38 HE3 TRP 38 2.591 -13.708 6.455 290 HZ2 TRP 38 HZ2 TRP 38 4.646 -15.059 2.139 291 HZ3 TRP 38 HZ3 TRP 38 1.946 -15.845 5.383 292 HH2 TRP 38 HH2 TRP 38 2.970 -16.524 3.229 293 H GLY 39 HN GLY 39 2.318 -12.105 7.306 294 1HA GLY 39 HA2 GLY 39 0.553 -12.557 8.794 295 2HA GLY 39 HA1 GLY 39 0.441 -10.816 9.095 296 H LYS 40 HN LYS 40 0.192 -12.653 6.069 297 HA LYS 40 HA LYS 40 -1.326 -12.330 4.305 298 1HB LYS 40 HB2 LYS 40 -3.720 -12.879 5.070 299 2HB LYS 40 HB1 LYS 40 -2.490 -14.106 5.349 300 1HG LYS 40 HG2 LYS 40 -2.225 -13.144 7.687 301 2HG LYS 40 HG1 LYS 40 -3.671 -12.189 7.370 302 1HD LYS 40 HD2 LYS 40 -3.378 -15.165 7.666 303 2HD LYS 40 HD1 LYS 40 -4.563 -14.089 8.400 304 1HE LYS 40 HE2 LYS 40 -4.461 -14.791 5.449 305 2HE LYS 40 HE1 LYS 40 -5.555 -15.523 6.622 306 1HZ LYS 40 HZ2 LYS 40 -5.600 -12.665 6.717 307 2HZ LYS 40 HZ1 LYS 40 -6.027 -13.259 5.184 308 3HZ LYS 40 HZ3 LYS 40 -6.886 -13.764 6.556 309 H VAL 41 HN VAL 41 -0.535 -9.887 5.709 310 HA VAL 41 HA VAL 41 -3.015 -8.279 5.736 311 HB VAL 41 HB VAL 41 -0.130 -7.559 6.315 312 1HG1 VAL 41 HG13 VAL 41 -1.928 -5.788 5.362 313 2HG1 VAL 41 HG12 VAL 41 -2.378 -5.763 7.067 314 3HG1 VAL 41 HG11 VAL 41 -0.731 -5.359 6.584 315 1HG2 VAL 41 HG23 VAL 41 -2.233 -8.745 7.856 316 2HG2 VAL 41 HG22 VAL 41 -0.611 -8.301 8.384 317 3HG2 VAL 41 HG21 VAL 41 -1.923 -7.127 8.486 318 H SER 42 HN SER 42 -0.132 -6.706 4.567 319 HA SER 42 HA SER 42 -0.643 -7.109 1.731 320 1HB SER 42 HB2 SER 42 -1.432 -4.378 2.716 321 2HB SER 42 HB1 SER 42 -1.782 -5.128 1.163 322 HG SER 42 HG SER 42 -3.629 -5.432 2.205 323 H CYS 43 HN CYS 43 0.319 -4.854 0.603 324 HA CYS 43 HA CYS 43 3.121 -4.817 1.409 325 1HB CYS 43 HB2 CYS 43 1.523 -3.910 -0.857 326 2HB CYS 43 HB1 CYS 43 2.678 -2.681 -0.362 327 OH TYR 44 OH TYR 44 2.921 3.237 7.661 328 H TYR 44 HN TYR 44 4.174 -2.511 1.599 329 HA TYR 44 HA TYR 44 2.422 -0.519 2.889 330 1HB TYR 44 HB2 TYR 44 3.113 -2.136 4.710 331 2HB TYR 44 HB1 TYR 44 4.780 -1.641 4.431 332 HD1 TYR 44 HD1 TYR 44 5.364 0.846 4.655 333 HD2 TYR 44 HD2 TYR 44 1.648 -0.812 6.015 334 HE1 TYR 44 HE1 TYR 44 5.009 2.824 6.096 335 HE2 TYR 44 HE2 TYR 44 1.284 1.170 7.445 336 HH TYR 44 HH TYR 44 2.239 3.022 8.300 337 H CYS 45 HN CYS 45 3.124 1.477 2.255 338 HA CYS 45 HA CYS 45 5.904 1.652 1.181 339 1HB CYS 45 HB2 CYS 45 3.492 3.405 0.650 340 2HB CYS 45 HB1 CYS 45 5.095 3.672 -0.025 341 OH TYR 46 OH TYR 46 6.832 0.760 7.875 342 H TYR 46 HN TYR 46 6.759 3.972 1.337 343 HA TYR 46 HA TYR 46 6.074 5.369 3.860 344 1HB TYR 46 HB2 TYR 46 8.766 4.177 3.184 345 2HB TYR 46 HB1 TYR 46 8.584 5.467 4.363 346 HD1 TYR 46 HD1 TYR 46 7.878 1.941 3.600 347 HD2 TYR 46 HD2 TYR 46 7.550 5.044 6.523 348 HE1 TYR 46 HE1 TYR 46 7.340 0.247 5.330 349 HE2 TYR 46 HE2 TYR 46 7.000 3.369 8.261 350 HH TYR 46 HH TYR 46 6.251 1.173 8.519 351 H GLY 47 HN GLY 47 5.556 7.282 2.749 352 1HA GLY 47 HA2 GLY 47 6.901 9.374 2.096 353 2HA GLY 47 HA1 GLY 47 7.633 8.341 0.871 354 H LEU 48 HN LEU 48 4.283 7.836 1.578 355 HA LEU 48 HA LEU 48 3.552 8.584 -1.153 356 1HB LEU 48 HB2 LEU 48 1.862 7.670 1.195 357 2HB LEU 48 HB1 LEU 48 1.303 7.801 -0.473 358 HG LEU 48 HG LEU 48 3.443 5.953 0.604 359 1HD1 LEU 48 HD13 LEU 48 0.802 5.464 -0.807 360 2HD1 LEU 48 HD12 LEU 48 1.932 4.215 -0.288 361 3HD1 LEU 48 HD11 LEU 48 1.113 5.214 0.911 362 1HD2 LEU 48 HD21 LEU 48 2.655 6.652 -2.236 363 2HD2 LEU 48 HD23 LEU 48 4.259 6.746 -1.510 364 3HD2 LEU 48 HD22 LEU 48 3.524 5.174 -1.824 365 HA PRO 49 HA PRO 49 2.141 12.670 -0.555 366 1HB PRO 49 HB2 PRO 49 -0.499 12.201 -1.662 367 2HB PRO 49 HB1 PRO 49 0.877 13.016 -2.418 368 1HG PRO 49 HG2 PRO 49 -0.155 10.416 -3.052 369 2HG PRO 49 HG1 PRO 49 1.278 11.198 -3.733 370 1HD PRO 49 HD2 PRO 49 1.181 8.976 -1.894 371 2HD PRO 49 HD1 PRO 49 2.614 9.750 -2.596 372 H ASP 50 HN ASP 50 0.749 13.882 0.895 373 HA ASP 50 HA ASP 50 -0.131 12.536 3.198 374 1HB ASP 50 HB2 ASP 50 -0.218 15.248 2.133 375 2HB ASP 50 HB1 ASP 50 -1.579 14.868 3.176 376 H ASN 51 HN ASN 51 -2.047 13.911 0.582 377 HA ASN 51 HA ASN 51 -4.503 12.769 1.561 378 1HB ASN 51 HB2 ASN 51 -5.472 13.824 -0.395 379 2HB ASN 51 HB1 ASN 51 -4.372 14.952 0.377 380 1HD2 ASN 51 HD22 ASN 51 -3.384 15.178 -3.125 381 2HD2 ASN 51 HD21 ASN 51 -4.588 15.758 -2.079 382 H SER 52 HN SER 52 -2.024 11.171 0.368 383 HA SER 52 HA SER 52 -2.864 9.843 -1.974 384 1HB SER 52 HB2 SER 52 -0.737 9.167 -1.486 385 2HB SER 52 HB1 SER 52 -1.007 9.244 0.251 386 HG SER 52 HG SER 52 -1.867 7.232 -1.556 387 HA PRO 53 HA PRO 53 -6.509 7.754 -0.544 388 1HB PRO 53 HB2 PRO 53 -6.378 5.893 -2.713 389 2HB PRO 53 HB1 PRO 53 -7.382 7.343 -2.598 390 1HG PRO 53 HG2 PRO 53 -5.043 6.923 -4.252 391 2HG PRO 53 HG1 PRO 53 -6.096 8.342 -4.191 392 1HD PRO 53 HD2 PRO 53 -3.423 8.096 -3.161 393 2HD PRO 53 HD1 PRO 53 -4.498 9.505 -3.060 394 H THR 54 HN THR 54 -6.083 6.479 1.251 395 HA THR 54 HA THR 54 -4.625 3.918 0.754 396 HB THR 54 HB THR 54 -3.815 4.029 3.063 397 HG1 THR 54 HG1 THR 54 -4.247 6.407 3.850 398 1HG2 THR 54 HG23 THR 54 -3.277 6.110 1.047 399 2HG2 THR 54 HG22 THR 54 -2.726 6.500 2.676 400 3HG2 THR 54 HG21 THR 54 -2.157 5.032 1.879 401 H LYS 55 HN LYS 55 -5.197 2.301 2.580 402 HA LYS 55 HA LYS 55 -7.818 1.447 2.334 403 1HB LYS 55 HB2 LYS 55 -5.860 0.166 3.292 404 2HB LYS 55 HB1 LYS 55 -6.131 1.025 4.808 405 1HG LYS 55 HG2 LYS 55 -7.412 -0.873 5.174 406 2HG LYS 55 HG1 LYS 55 -8.618 0.192 4.454 407 1HD LYS 55 HD2 LYS 55 -7.145 -1.167 2.377 408 2HD LYS 55 HD1 LYS 55 -7.813 -2.342 3.512 409 1HE LYS 55 HE2 LYS 55 -10.018 -1.058 3.317 410 2HE LYS 55 HE1 LYS 55 -9.297 -0.228 1.940 411 1HZ LYS 55 HZ3 LYS 55 -8.824 -2.491 1.014 412 2HZ LYS 55 HZ2 LYS 55 -9.810 -3.131 2.243 413 3HZ LYS 55 HZ1 LYS 55 -10.467 -2.071 1.086 414 H THR 56 HN THR 56 -9.724 1.755 3.456 415 HA THR 56 HA THR 56 -9.810 4.117 5.250 416 HB THR 56 HB THR 56 -11.988 2.563 3.834 417 HG1 THR 56 HG1 THR 56 -12.097 4.362 2.568 418 1HG2 THR 56 HG23 THR 56 -12.543 3.574 6.149 419 2HG2 THR 56 HG22 THR 56 -12.359 5.140 5.358 420 3HG2 THR 56 HG21 THR 56 -13.590 4.006 4.799 421 H SER 57 HN SER 57 -11.864 1.271 5.232 422 HA SER 57 HA SER 57 -11.198 0.869 8.073 423 1HB SER 57 HB2 SER 57 -13.568 -0.460 7.745 424 2HB SER 57 HB1 SER 57 -13.433 1.183 8.364 425 HG SER 57 HG SER 57 -14.827 1.237 6.642 426 H GLY 58 HN GLY 58 -9.957 -0.188 5.641 427 1HA GLY 58 HA2 GLY 58 -8.869 -2.205 5.097 428 2HA GLY 58 HA1 GLY 58 -9.608 -2.921 6.526 429 H LYS 59 HN LYS 59 -12.221 -1.729 4.974 430 HA LYS 59 HA LYS 59 -12.736 -4.358 3.715 431 1HB LYS 59 HB2 LYS 59 -14.360 -2.310 5.002 432 2HB LYS 59 HB1 LYS 59 -15.042 -2.812 3.455 433 1HG LYS 59 HG2 LYS 59 -14.682 -5.218 4.216 434 2HG LYS 59 HG1 LYS 59 -14.343 -4.565 5.820 435 1HD LYS 59 HD2 LYS 59 -16.834 -3.647 4.448 436 2HD LYS 59 HD1 LYS 59 -16.812 -5.284 5.104 437 1HE LYS 59 HE2 LYS 59 -16.220 -4.448 7.310 438 2HE LYS 59 HE1 LYS 59 -16.069 -2.806 6.684 439 1HZ LYS 59 HZ2 LYS 59 -18.569 -3.706 5.921 440 2HZ LYS 59 HZ1 LYS 59 -18.390 -4.171 7.546 441 3HZ LYS 59 HZ3 LYS 59 -18.212 -2.543 7.106 442 H CYS 60 HN CYS 60 -12.693 -4.631 1.549 443 HA CYS 60 HA CYS 60 -12.574 -2.186 -0.169 444 1HB CYS 60 HB2 CYS 60 -10.657 -3.911 -0.180 445 2HB CYS 60 HB1 CYS 60 -11.790 -4.985 -1.001 446 H ASN 61 HN ASN 61 -14.398 -1.783 -1.334 447 HA ASN 61 HA ASN 61 -16.044 -4.108 -2.211 448 1HB ASN 61 HB2 ASN 61 -16.759 -2.405 -0.107 449 2HB ASN 61 HB1 ASN 61 -17.686 -1.819 -1.487 450 1HD2 ASN 61 HD22 ASN 61 -19.917 -4.395 -0.292 451 2HD2 ASN 61 HD21 ASN 61 -19.542 -2.753 -0.081 452 HA PRO 62 HA PRO 62 -16.176 -2.062 -6.082 453 1HB PRO 62 HB2 PRO 62 -18.857 -2.868 -6.683 454 2HB PRO 62 HB1 PRO 62 -17.357 -3.650 -7.201 455 1HG PRO 62 HG2 PRO 62 -19.262 -4.587 -5.231 456 2HG PRO 62 HG1 PRO 62 -17.800 -5.396 -5.806 457 1HD PRO 62 HD2 PRO 62 -18.218 -4.139 -3.254 458 2HD PRO 62 HD1 PRO 62 -16.741 -4.920 -3.851 459 H ALA 63 HN ALA 63 -16.375 0.162 -5.986 460 HA ALA 63 HA ALA 63 -17.342 2.275 -5.547 461 1HB ALA 63 HB1 ALA 63 -18.476 1.376 -7.668 462 2HB ALA 63 HB3 ALA 63 -19.844 0.969 -6.631 463 3HB ALA 63 HB2 ALA 63 -19.335 2.649 -6.800 Start of MODEL 17 Raw file had 463 H/Q atoms Start of MODEL 17 1 1H LYS 1 HT3 LYS 1 4.560 14.410 2.900 2 2H LYS 1 HT2 LYS 1 5.341 14.700 1.418 3 3H LYS 1 HT1 LYS 1 3.666 14.406 1.459 4 HA LYS 1 HA LYS 1 4.333 12.345 0.850 5 1HB LYS 1 HB2 LYS 1 6.870 13.116 2.289 6 2HB LYS 1 HB1 LYS 1 6.562 11.433 1.857 7 1HG LYS 1 HG2 LYS 1 6.748 11.830 -0.401 8 2HG LYS 1 HG1 LYS 1 6.123 13.475 -0.270 9 1HD LYS 1 HD2 LYS 1 8.875 12.569 0.636 10 2HD LYS 1 HD1 LYS 1 8.533 13.475 -0.839 11 1HE LYS 1 HE2 LYS 1 7.272 14.836 1.332 12 2HE LYS 1 HE1 LYS 1 8.938 14.495 1.801 13 1HZ LYS 1 HZ2 LYS 1 8.733 15.373 -0.909 14 2HZ LYS 1 HZ1 LYS 1 8.106 16.522 0.175 15 3HZ LYS 1 HZ3 LYS 1 9.701 15.975 0.352 16 H LYS 2 HN LYS 2 4.330 10.202 2.047 17 HA LYS 2 HA LYS 2 4.167 10.148 4.920 18 1HB LYS 2 HB2 LYS 2 1.766 9.840 5.187 19 2HB LYS 2 HB1 LYS 2 2.061 11.385 4.390 20 1HG LYS 2 HG2 LYS 2 0.499 10.604 2.914 21 2HG LYS 2 HG1 LYS 2 1.891 9.772 2.220 22 1HD LYS 2 HD2 LYS 2 1.387 7.762 3.507 23 2HD LYS 2 HD1 LYS 2 0.062 8.586 4.331 24 1HE LYS 2 HE2 LYS 2 0.235 8.004 1.360 25 2HE LYS 2 HE1 LYS 2 -0.829 7.206 2.517 26 1HZ LYS 2 HZ3 LYS 2 -1.693 9.521 3.010 27 2HZ LYS 2 HZ2 LYS 2 -0.904 10.011 1.588 28 3HZ LYS 2 HZ1 LYS 2 -2.135 8.844 1.519 29 H ASP 3 HN ASP 3 3.679 7.990 5.718 30 HA ASP 3 HA ASP 3 4.100 5.882 3.654 31 1HB ASP 3 HB2 ASP 3 4.080 5.364 6.605 32 2HB ASP 3 HB1 ASP 3 5.056 4.601 5.351 33 H GLY 4 HN GLY 4 2.609 3.995 3.688 34 1HA GLY 4 HA2 GLY 4 0.467 3.645 5.474 35 2HA GLY 4 HA1 GLY 4 -0.123 4.768 4.254 36 OH TYR 5 OH TYR 5 0.241 -2.477 7.343 37 H TYR 5 HN TYR 5 -1.664 2.994 3.878 38 HA TYR 5 HA TYR 5 -0.544 0.765 2.241 39 1HB TYR 5 HB2 TYR 5 -3.165 1.104 3.721 40 2HB TYR 5 HB1 TYR 5 -2.884 -0.205 2.575 41 HD1 TYR 5 HD2 TYR 5 -0.546 -1.485 2.964 42 HD2 TYR 5 HD1 TYR 5 -2.720 0.691 5.953 43 HE1 TYR 5 HE2 TYR 5 0.610 -2.772 4.741 44 HE2 TYR 5 HE1 TYR 5 -1.565 -0.590 7.730 45 HH TYR 5 HH TYR 5 -0.407 -2.701 8.015 46 HA PRO 6 HA PRO 6 -2.170 3.569 -0.977 47 1HB PRO 6 HB2 PRO 6 -0.812 1.864 -2.863 48 2HB PRO 6 HB1 PRO 6 -0.401 3.518 -2.388 49 1HG PRO 6 HG2 PRO 6 0.985 1.091 -1.671 50 2HG PRO 6 HG1 PRO 6 1.381 2.745 -1.196 51 1HD PRO 6 HD2 PRO 6 0.270 0.672 0.466 52 2HD PRO 6 HD1 PRO 6 0.641 2.344 0.916 53 H VAL 7 HN VAL 7 -4.257 3.163 -1.600 54 HA VAL 7 HA VAL 7 -4.994 0.358 -2.361 55 HB VAL 7 HB VAL 7 -7.221 0.823 -1.660 56 1HG1 VAL 7 HG11 VAL 7 -5.164 1.977 0.239 57 2HG1 VAL 7 HG13 VAL 7 -6.840 1.685 0.704 58 3HG1 VAL 7 HG12 VAL 7 -5.812 0.336 0.221 59 1HG2 VAL 7 HG21 VAL 7 -6.290 3.703 -1.458 60 2HG2 VAL 7 HG23 VAL 7 -7.493 3.055 -2.572 61 3HG2 VAL 7 HG22 VAL 7 -7.838 3.123 -0.844 62 H ASP 8 HN ASP 8 -6.247 0.039 -4.256 63 HA ASP 8 HA ASP 8 -5.752 2.008 -6.361 64 1HB ASP 8 HB2 ASP 8 -7.039 0.321 -7.769 65 2HB ASP 8 HB1 ASP 8 -5.588 -0.300 -6.989 66 H SER 9 HN SER 9 -8.089 1.822 -7.908 67 HA SER 9 HA SER 9 -9.733 3.832 -6.666 68 1HB SER 9 HB2 SER 9 -11.264 2.787 -8.725 69 2HB SER 9 HB1 SER 9 -10.098 4.100 -8.882 70 HG SER 9 HG SER 9 -9.760 2.305 -10.337 71 H GLY 10 HN GLY 10 -9.662 0.448 -6.352 72 1HA GLY 10 HA2 GLY 10 -12.531 0.236 -5.668 73 2HA GLY 10 HA1 GLY 10 -11.382 -1.100 -5.721 74 H ASN 11 HN ASN 11 -9.761 1.233 -4.078 75 HA ASN 11 HA ASN 11 -9.436 1.701 -1.797 76 1HB ASN 11 HB2 ASN 11 -12.246 1.130 -1.948 77 2HB ASN 11 HB1 ASN 11 -11.591 0.337 -0.527 78 1HD2 ASN 11 HD22 ASN 11 -10.765 3.369 1.124 79 2HD2 ASN 11 HD21 ASN 11 -10.429 1.709 1.017 80 H CYS 12 HN CYS 12 -8.613 -0.643 -3.236 81 HA CYS 12 HA CYS 12 -8.453 -2.638 -1.042 82 1HB CYS 12 HB2 CYS 12 -8.100 -2.968 -4.035 83 2HB CYS 12 HB1 CYS 12 -7.953 -4.252 -2.846 84 H LYS 13 HN LYS 13 -6.554 -2.311 0.031 85 HA LYS 13 HA LYS 13 -4.262 -1.022 -1.098 86 1HB LYS 13 HB2 LYS 13 -4.256 -0.970 1.229 87 2HB LYS 13 HB1 LYS 13 -4.804 -2.637 1.371 88 1HG LYS 13 HG2 LYS 13 -2.476 -2.514 2.060 89 2HG LYS 13 HG1 LYS 13 -2.566 -3.392 0.534 90 1HD LYS 13 HD2 LYS 13 -2.278 -0.874 -0.404 91 2HD LYS 13 HD1 LYS 13 -1.404 -0.724 1.119 92 1HE LYS 13 HE2 LYS 13 -0.101 -2.783 0.500 93 2HE LYS 13 HE1 LYS 13 -0.889 -2.750 -1.075 94 1HZ LYS 13 HZ3 LYS 13 -0.047 -0.301 -1.057 95 2HZ LYS 13 HZ2 LYS 13 1.090 -0.908 0.052 96 3HZ LYS 13 HZ1 LYS 13 0.989 -1.561 -1.512 97 OH TYR 14 OH TYR 14 -2.727 1.020 -6.802 98 H TYR 14 HN TYR 14 -2.484 -1.884 -2.161 99 HA TYR 14 HA TYR 14 -2.777 -4.336 -3.569 100 1HB TYR 14 HB2 TYR 14 -0.166 -2.951 -2.882 101 2HB TYR 14 HB1 TYR 14 -0.457 -4.058 -4.226 102 HD1 TYR 14 HD2 TYR 14 -3.167 -3.174 -5.078 103 HD2 TYR 14 HD1 TYR 14 0.302 -0.887 -3.987 104 HE1 TYR 14 HE2 TYR 14 -3.963 -1.292 -6.481 105 HE2 TYR 14 HE1 TYR 14 -0.499 0.996 -5.390 106 HH TYR 14 HH TYR 14 -3.066 1.701 -6.214 107 H GLU 15 HN GLU 15 -1.598 -6.363 -3.297 108 HA GLU 15 HA GLU 15 -1.441 -7.149 -0.461 109 1HB GLU 15 HB2 GLU 15 -0.877 -8.872 -2.876 110 2HB GLU 15 HB1 GLU 15 -1.389 -9.387 -1.269 111 1HG GLU 15 HG2 GLU 15 -3.511 -9.332 -2.040 112 2HG GLU 15 HG1 GLU 15 -3.357 -7.575 -2.084 113 H CYS 16 HN CYS 16 0.474 -8.852 -0.054 114 HA CYS 16 HA CYS 16 2.969 -8.159 -1.390 115 1HB CYS 16 HB2 CYS 16 4.069 -7.024 0.320 116 2HB CYS 16 HB1 CYS 16 2.464 -6.306 0.351 117 H LEU 17 HN LEU 17 4.293 -9.878 -1.339 118 HA LEU 17 HA LEU 17 4.001 -11.850 0.885 119 1HB LEU 17 HB2 LEU 17 4.518 -12.574 -2.015 120 2HB LEU 17 HB1 LEU 17 4.209 -13.681 -0.676 121 HG LEU 17 HG LEU 17 2.249 -11.622 -1.726 122 1HD1 LEU 17 HD13 LEU 17 2.928 -14.222 -2.687 123 2HD1 LEU 17 HD12 LEU 17 1.346 -14.337 -1.919 124 3HD1 LEU 17 HD11 LEU 17 1.610 -13.180 -3.223 125 1HD2 LEU 17 HD22 LEU 17 2.331 -13.436 0.631 126 2HD2 LEU 17 HD21 LEU 17 1.502 -11.892 0.430 127 3HD2 LEU 17 HD23 LEU 17 0.800 -13.363 -0.243 128 H LYS 18 HN LYS 18 5.969 -9.681 -0.610 129 HA LYS 18 HA LYS 18 8.390 -10.927 0.514 130 1HB LYS 18 HB2 LYS 18 7.913 -10.474 -2.415 131 2HB LYS 18 HB1 LYS 18 9.537 -10.234 -1.771 132 1HG LYS 18 HG2 LYS 18 8.508 -12.666 -0.679 133 2HG LYS 18 HG1 LYS 18 8.249 -12.697 -2.423 134 1HD LYS 18 HD2 LYS 18 10.899 -11.928 -1.182 135 2HD LYS 18 HD1 LYS 18 10.508 -13.584 -1.644 136 1HE LYS 18 HE2 LYS 18 10.068 -12.817 -3.962 137 2HE LYS 18 HE1 LYS 18 10.517 -11.178 -3.493 138 1HZ LYS 18 HZ3 LYS 18 12.302 -13.539 -3.251 139 2HZ LYS 18 HZ2 LYS 18 12.341 -12.436 -4.541 140 3HZ LYS 18 HZ1 LYS 18 12.717 -11.919 -2.968 141 H ASP 19 HN ASP 19 9.801 -9.319 1.242 142 HA ASP 19 HA ASP 19 8.813 -6.657 1.500 143 1HB ASP 19 HB2 ASP 19 10.693 -7.988 2.813 144 2HB ASP 19 HB1 ASP 19 11.754 -7.172 1.663 145 H ASP 20 HN ASP 20 10.741 -8.158 -1.016 146 HA ASP 20 HA ASP 20 11.673 -5.641 -2.152 147 1HB ASP 20 HB2 ASP 20 12.995 -7.056 -3.310 148 2HB ASP 20 HB1 ASP 20 12.188 -8.410 -2.537 149 OH TYR 21 OH TYR 21 1.782 -6.198 -6.429 150 H TYR 21 HN TYR 21 8.806 -7.631 -2.443 151 HA TYR 21 HA TYR 21 7.865 -6.454 -4.912 152 1HB TYR 21 HB2 TYR 21 6.944 -8.585 -4.125 153 2HB TYR 21 HB1 TYR 21 6.346 -7.808 -2.659 154 HD1 TYR 21 HD1 TYR 21 6.327 -6.349 -6.078 155 HD2 TYR 21 HD2 TYR 21 3.994 -8.114 -2.936 156 HE1 TYR 21 HE1 TYR 21 4.245 -5.710 -7.266 157 HE2 TYR 21 HE2 TYR 21 1.910 -7.479 -4.120 158 HH TYR 21 HH TYR 21 1.037 -6.534 -5.924 159 H CYS 22 HN CYS 22 7.690 -5.598 -1.513 160 HA CYS 22 HA CYS 22 5.710 -3.497 -1.942 161 1HB CYS 22 HB2 CYS 22 7.522 -4.155 0.389 162 2HB CYS 22 HB1 CYS 22 6.403 -2.795 0.395 163 H ASN 23 HN ASN 23 9.212 -3.495 -1.191 164 HA ASN 23 HA ASN 23 9.626 -0.703 -1.389 165 1HB ASN 23 HB2 ASN 23 11.332 -2.482 -0.769 166 2HB ASN 23 HB1 ASN 23 11.497 -2.844 -2.471 167 1HD2 ASN 23 HD22 ASN 23 13.442 -0.005 -3.189 168 2HD2 ASN 23 HD21 ASN 23 12.643 -1.381 -3.779 169 H ASP 24 HN ASP 24 9.712 -3.180 -3.883 170 HA ASP 24 HA ASP 24 10.367 -1.496 -6.089 171 1HB ASP 24 HB2 ASP 24 10.362 -4.021 -6.073 172 2HB ASP 24 HB1 ASP 24 8.610 -3.964 -6.198 173 H LEU 25 HN LEU 25 7.139 -2.961 -5.719 174 HA LEU 25 HA LEU 25 5.731 -1.234 -7.380 175 1HB LEU 25 HB2 LEU 25 4.567 -3.118 -6.551 176 2HB LEU 25 HB1 LEU 25 4.941 -2.723 -4.878 177 HG LEU 25 HG LEU 25 3.481 -0.537 -6.048 178 1HD1 LEU 25 HD11 LEU 25 2.784 -2.707 -7.448 179 2HD1 LEU 25 HD13 LEU 25 1.800 -3.012 -6.018 180 3HD1 LEU 25 HD12 LEU 25 1.580 -1.523 -6.938 181 1HD2 LEU 25 HD23 LEU 25 3.584 -2.165 -3.675 182 2HD2 LEU 25 HD22 LEU 25 2.835 -0.582 -3.881 183 3HD2 LEU 25 HD21 LEU 25 1.908 -2.045 -4.211 184 H CYS 26 HN CYS 26 6.512 -0.786 -3.986 185 HA CYS 26 HA CYS 26 5.136 1.570 -3.387 186 1HB CYS 26 HB2 CYS 26 7.682 0.297 -2.440 187 2HB CYS 26 HB1 CYS 26 7.254 1.874 -1.849 188 H LEU 27 HN LEU 27 8.334 1.081 -4.785 189 HA LEU 27 HA LEU 27 9.015 3.828 -4.966 190 1HB LEU 27 HB2 LEU 27 11.018 3.002 -5.573 191 2HB LEU 27 HB1 LEU 27 10.314 1.405 -5.346 192 HG LEU 27 HG LEU 27 9.446 1.817 -7.809 193 1HD1 LEU 27 HD13 LEU 27 10.909 4.133 -7.418 194 2HD1 LEU 27 HD12 LEU 27 12.029 3.101 -8.307 195 3HD1 LEU 27 HD11 LEU 27 10.444 3.474 -8.986 196 1HD2 LEU 27 HD22 LEU 27 11.882 0.684 -6.639 197 2HD2 LEU 27 HD21 LEU 27 10.774 -0.020 -7.818 198 3HD2 LEU 27 HD23 LEU 27 12.052 1.073 -8.351 199 H GLU 28 HN GLU 28 7.397 1.616 -7.191 200 HA GLU 28 HA GLU 28 7.425 3.284 -9.464 201 1HB GLU 28 HB2 GLU 28 5.376 1.258 -8.546 202 2HB GLU 28 HB1 GLU 28 5.358 2.014 -10.140 203 1HG GLU 28 HG2 GLU 28 7.726 1.170 -10.459 204 2HG GLU 28 HG1 GLU 28 7.516 0.233 -8.978 205 NH1 ARG 29 NH2 ARG 29 -0.596 4.977 -6.813 206 NH2 ARG 29 NH1 ARG 29 -0.731 3.758 -8.708 207 H ARG 29 HN ARG 29 5.462 3.303 -6.602 208 HA ARG 29 HA ARG 29 3.522 5.173 -7.617 209 1HB ARG 29 HB2 ARG 29 3.738 3.559 -5.347 210 2HB ARG 29 HB1 ARG 29 3.779 5.213 -4.734 211 1HG ARG 29 HG2 ARG 29 1.548 5.317 -4.998 212 2HG ARG 29 HG1 ARG 29 1.788 5.170 -6.740 213 1HD ARG 29 HD2 ARG 29 2.122 2.579 -5.658 214 2HD ARG 29 HD1 ARG 29 0.674 3.241 -4.906 215 HE ARG 29 HE ARG 29 0.824 2.261 -7.554 216 1HH1 ARG 29 HH21 ARG 29 -0.247 5.105 -5.886 217 2HH1 ARG 29 HH22 ARG 29 -1.238 5.639 -7.198 218 1HH2 ARG 29 HH11 ARG 29 -0.477 2.948 -9.238 219 2HH2 ARG 29 HH12 ARG 29 -1.376 4.420 -9.086 220 H LYS 30 HN LYS 30 6.507 5.363 -5.882 221 HA LYS 30 HA LYS 30 7.858 7.471 -6.384 222 1HB LYS 30 HB2 LYS 30 6.923 9.601 -5.693 223 2HB LYS 30 HB1 LYS 30 5.823 8.858 -6.848 224 1HG LYS 30 HG2 LYS 30 4.194 9.123 -5.305 225 2HG LYS 30 HG1 LYS 30 4.998 7.873 -4.355 226 1HD LYS 30 HD2 LYS 30 4.827 9.729 -2.878 227 2HD LYS 30 HD1 LYS 30 6.496 9.769 -3.447 228 1HE LYS 30 HE2 LYS 30 4.847 11.212 -5.308 229 2HE LYS 30 HE1 LYS 30 4.532 11.815 -3.681 230 1HZ LYS 30 HZ1 LYS 30 7.281 11.410 -4.692 231 2HZ LYS 30 HZ3 LYS 30 6.438 12.858 -4.951 232 3HZ LYS 30 HZ2 LYS 30 6.769 12.343 -3.367 233 H ALA 31 HN ALA 31 6.633 5.571 -4.032 234 HA ALA 31 HA ALA 31 7.400 7.004 -1.647 235 1HB ALA 31 HB1 ALA 31 5.847 5.057 -1.636 236 2HB ALA 31 HB3 ALA 31 7.199 4.012 -2.076 237 3HB ALA 31 HB2 ALA 31 7.200 4.848 -0.524 238 H ASP 32 HN ASP 32 9.306 6.796 -0.439 239 HA ASP 32 HA ASP 32 11.718 6.378 -1.931 240 1HB ASP 32 HB2 ASP 32 11.171 7.891 0.174 241 2HB ASP 32 HB1 ASP 32 11.672 6.454 1.052 242 H LYS 33 HN LYS 33 10.157 4.697 0.789 243 HA LYS 33 HA LYS 33 11.449 2.174 -0.133 244 1HB LYS 33 HB2 LYS 33 11.345 2.351 2.790 245 2HB LYS 33 HB1 LYS 33 12.658 1.813 1.750 246 1HG LYS 33 HG2 LYS 33 13.749 3.743 2.108 247 2HG LYS 33 HG1 LYS 33 12.395 4.668 1.481 248 1HD LYS 33 HD2 LYS 33 12.793 5.389 3.752 249 2HD LYS 33 HD1 LYS 33 11.296 4.457 3.735 250 1HE LYS 33 HE2 LYS 33 12.157 2.950 5.168 251 2HE LYS 33 HE1 LYS 33 13.552 2.694 4.121 252 1HZ LYS 33 HZ3 LYS 33 13.736 5.209 5.401 253 2HZ LYS 33 HZ2 LYS 33 13.500 3.994 6.565 254 3HZ LYS 33 HZ1 LYS 33 14.805 3.894 5.479 255 H GLY 34 HN GLY 34 10.355 0.245 0.994 256 1HA GLY 34 HA2 GLY 34 7.837 0.660 2.345 257 2HA GLY 34 HA1 GLY 34 7.574 0.308 0.638 258 OH TYR 35 OH TYR 35 5.724 -1.218 8.791 259 H TYR 35 HN TYR 35 7.382 -1.226 3.426 260 HA TYR 35 HA TYR 35 8.714 -3.674 2.357 261 1HB TYR 35 HB2 TYR 35 8.771 -4.548 4.657 262 2HB TYR 35 HB1 TYR 35 9.685 -3.067 4.486 263 HD1 TYR 35 HD1 TYR 35 6.222 -2.234 4.382 264 HD2 TYR 35 HD2 TYR 35 9.363 -3.358 7.092 265 HE1 TYR 35 HE1 TYR 35 4.948 -1.262 6.267 266 HE2 TYR 35 HE2 TYR 35 8.083 -2.384 8.972 267 HH TYR 35 HH TYR 35 6.357 -0.870 9.426 268 H CYS 36 HN CYS 36 7.608 -5.680 3.530 269 HA CYS 36 HA CYS 36 4.756 -5.547 2.726 270 1HB CYS 36 HB2 CYS 36 5.997 -7.100 1.459 271 2HB CYS 36 HB1 CYS 36 6.818 -7.729 2.873 272 OH TYR 37 OH TYR 37 0.772 -5.827 12.089 273 H TYR 37 HN TYR 37 3.275 -5.573 4.249 274 HA TYR 37 HA TYR 37 3.995 -6.456 6.976 275 1HB TYR 37 HB2 TYR 37 2.737 -4.295 6.502 276 2HB TYR 37 HB1 TYR 37 1.371 -5.284 6.006 277 HD1 TYR 37 HD1 TYR 37 3.610 -4.414 8.821 278 HD2 TYR 37 HD2 TYR 37 0.008 -6.434 7.639 279 HE1 TYR 37 HE1 TYR 37 2.969 -4.662 11.201 280 HE2 TYR 37 HE2 TYR 37 -0.633 -6.684 10.021 281 HH TYR 37 HH TYR 37 1.302 -5.212 12.602 282 CH2 TRP 38 CH2 TRP 38 4.289 -16.181 4.667 283 H TRP 38 HN TRP 38 4.143 -8.672 6.602 284 HA TRP 38 HA TRP 38 2.458 -10.368 5.159 285 1HB TRP 38 HB2 TRP 38 4.525 -10.611 7.144 286 2HB TRP 38 HB1 TRP 38 3.253 -11.773 7.500 287 HD1 TRP 38 HD1 TRP 38 4.981 -10.533 4.258 288 HE1 TRP 38 HE1 TRP 38 5.529 -12.586 2.802 289 HE3 TRP 38 HE3 TRP 38 3.162 -14.259 7.251 290 HZ2 TRP 38 HZ2 TRP 38 5.242 -15.426 2.890 291 HZ3 TRP 38 HZ3 TRP 38 3.318 -16.627 6.536 292 HH2 TRP 38 HH2 TRP 38 4.354 -17.216 4.362 293 H GLY 39 HN GLY 39 1.580 -12.274 7.166 294 1HA GLY 39 HA2 GLY 39 -0.231 -12.687 8.620 295 2HA GLY 39 HA1 GLY 39 -0.370 -10.945 8.876 296 H LYS 40 HN LYS 40 -0.250 -12.156 5.635 297 HA LYS 40 HA LYS 40 -1.868 -12.180 3.935 298 1HB LYS 40 HB2 LYS 40 -2.952 -13.736 5.732 299 2HB LYS 40 HB1 LYS 40 -3.993 -12.352 6.068 300 1HG LYS 40 HG2 LYS 40 -5.263 -13.313 4.415 301 2HG LYS 40 HG1 LYS 40 -4.180 -12.378 3.383 302 1HD LYS 40 HD2 LYS 40 -2.659 -14.390 3.294 303 2HD LYS 40 HD1 LYS 40 -3.917 -15.301 4.131 304 1HE LYS 40 HE2 LYS 40 -4.166 -13.933 1.438 305 2HE LYS 40 HE1 LYS 40 -4.151 -15.670 1.740 306 1HZ LYS 40 HZ1 LYS 40 -6.185 -13.794 2.820 307 2HZ LYS 40 HZ3 LYS 40 -6.401 -14.751 1.435 308 3HZ LYS 40 HZ2 LYS 40 -6.193 -15.488 2.951 309 H VAL 41 HN VAL 41 -1.109 -9.723 5.620 310 HA VAL 41 HA VAL 41 -3.526 -8.067 5.410 311 HB VAL 41 HB VAL 41 -0.707 -7.229 6.124 312 1HG1 VAL 41 HG11 VAL 41 -2.769 -5.616 5.511 313 2HG1 VAL 41 HG13 VAL 41 -3.177 -5.946 7.194 314 3HG1 VAL 41 HG12 VAL 41 -1.622 -5.219 6.791 315 1HG2 VAL 41 HG22 VAL 41 -2.486 -8.981 7.488 316 2HG2 VAL 41 HG21 VAL 41 -0.970 -8.304 8.083 317 3HG2 VAL 41 HG23 VAL 41 -2.488 -7.449 8.361 318 H SER 42 HN SER 42 -0.441 -6.629 4.463 319 HA SER 42 HA SER 42 -0.878 -6.846 1.615 320 1HB SER 42 HB2 SER 42 -2.257 -4.702 3.080 321 2HB SER 42 HB1 SER 42 -1.325 -4.163 1.687 322 HG SER 42 HG SER 42 -3.662 -5.511 1.781 323 H CYS 43 HN CYS 43 0.252 -4.649 0.597 324 HA CYS 43 HA CYS 43 3.018 -4.782 1.560 325 1HB CYS 43 HB2 CYS 43 1.620 -3.889 -0.843 326 2HB CYS 43 HB1 CYS 43 2.802 -2.697 -0.317 327 OH TYR 44 OH TYR 44 2.647 3.681 7.204 328 H TYR 44 HN TYR 44 4.090 -2.370 1.489 329 HA TYR 44 HA TYR 44 2.396 -0.300 2.638 330 1HB TYR 44 HB2 TYR 44 2.767 -1.849 4.581 331 2HB TYR 44 HB1 TYR 44 4.491 -1.505 4.468 332 HD1 TYR 44 HD2 TYR 44 1.165 -0.106 5.169 333 HD2 TYR 44 HD1 TYR 44 5.377 0.696 5.102 334 HE1 TYR 44 HE2 TYR 44 0.778 1.971 6.437 335 HE2 TYR 44 HE1 TYR 44 4.996 2.787 6.379 336 HH TYR 44 HH TYR 44 1.701 3.780 7.332 337 H CYS 45 HN CYS 45 3.249 1.614 2.005 338 HA CYS 45 HA CYS 45 6.136 1.646 1.206 339 1HB CYS 45 HB2 CYS 45 3.935 3.507 0.290 340 2HB CYS 45 HB1 CYS 45 5.549 3.363 -0.389 341 OH TYR 46 OH TYR 46 6.963 0.683 7.402 342 H TYR 46 HN TYR 46 7.058 3.931 1.234 343 HA TYR 46 HA TYR 46 6.195 5.576 3.552 344 1HB TYR 46 HB2 TYR 46 8.992 4.507 3.096 345 2HB TYR 46 HB1 TYR 46 8.569 5.706 4.309 346 HD1 TYR 46 HD2 TYR 46 8.142 2.185 3.267 347 HD2 TYR 46 HD1 TYR 46 7.541 5.069 6.374 348 HE1 TYR 46 HE2 TYR 46 7.603 0.358 4.855 349 HE2 TYR 46 HE1 TYR 46 7.000 3.256 7.967 350 HH TYR 46 HH TYR 46 7.691 0.605 8.022 351 H GLY 47 HN GLY 47 5.817 7.460 2.358 352 1HA GLY 47 HA2 GLY 47 7.252 9.431 1.548 353 2HA GLY 47 HA1 GLY 47 7.947 8.272 0.417 354 H LEU 48 HN LEU 48 4.804 7.371 0.722 355 HA LEU 48 HA LEU 48 4.031 8.083 -1.890 356 1HB LEU 48 HB2 LEU 48 2.264 7.651 0.543 357 2HB LEU 48 HB1 LEU 48 1.713 7.617 -1.130 358 HG LEU 48 HG LEU 48 3.889 5.802 -0.064 359 1HD1 LEU 48 HD13 LEU 48 1.281 5.687 0.734 360 2HD1 LEU 48 HD12 LEU 48 1.226 4.692 -0.720 361 3HD1 LEU 48 HD11 LEU 48 2.325 4.275 0.593 362 1HD2 LEU 48 HD22 LEU 48 3.110 6.474 -2.661 363 2HD2 LEU 48 HD21 LEU 48 4.045 5.053 -2.196 364 3HD2 LEU 48 HD23 LEU 48 2.292 4.942 -2.356 365 HA PRO 49 HA PRO 49 3.000 12.329 -1.836 366 1HB PRO 49 HB2 PRO 49 0.376 12.026 -2.993 367 2HB PRO 49 HB1 PRO 49 1.871 12.523 -3.799 368 1HG PRO 49 HG2 PRO 49 0.494 10.009 -4.060 369 2HG PRO 49 HG1 PRO 49 2.007 10.496 -4.832 370 1HD PRO 49 HD2 PRO 49 1.648 8.606 -2.684 371 2HD PRO 49 HD1 PRO 49 3.165 9.088 -3.471 372 H ASP 50 HN ASP 50 1.710 13.840 -0.610 373 HA ASP 50 HA ASP 50 0.590 12.897 1.783 374 1HB ASP 50 HB2 ASP 50 0.676 15.483 0.327 375 2HB ASP 50 HB1 ASP 50 -0.519 15.323 1.604 376 H ASN 51 HN ASN 51 -0.978 14.017 -1.163 377 HA ASN 51 HA ASN 51 -3.634 13.416 -0.223 378 1HB ASN 51 HB2 ASN 51 -4.240 14.006 -2.568 379 2HB ASN 51 HB1 ASN 51 -3.283 15.250 -1.782 380 1HD2 ASN 51 HD22 ASN 51 -1.587 14.857 -4.991 381 2HD2 ASN 51 HD21 ASN 51 -2.959 15.613 -4.337 382 H SER 52 HN SER 52 -1.168 11.464 -1.157 383 HA SER 52 HA SER 52 -2.007 9.692 -3.095 384 1HB SER 52 HB2 SER 52 0.103 9.538 -1.716 385 2HB SER 52 HB1 SER 52 -0.863 8.813 -0.434 386 HG SER 52 HG SER 52 -0.961 7.018 -1.537 387 HA PRO 53 HA PRO 53 -5.932 8.344 -1.439 388 1HB PRO 53 HB2 PRO 53 -6.206 6.460 -3.567 389 2HB PRO 53 HB1 PRO 53 -6.944 8.063 -3.455 390 1HG PRO 53 HG2 PRO 53 -4.810 7.224 -5.209 391 2HG PRO 53 HG1 PRO 53 -5.567 8.820 -5.102 392 1HD PRO 53 HD2 PRO 53 -2.948 8.013 -4.154 393 2HD PRO 53 HD1 PRO 53 -3.675 9.633 -4.132 394 H THR 54 HN THR 54 -5.252 7.144 0.401 395 HA THR 54 HA THR 54 -4.502 4.298 -0.146 396 HB THR 54 HB THR 54 -3.160 4.307 1.860 397 HG1 THR 54 HG1 THR 54 -4.254 5.562 3.250 398 1HG2 THR 54 HG22 THR 54 -2.194 5.346 -0.223 399 2HG2 THR 54 HG21 THR 54 -2.632 6.925 0.430 400 3HG2 THR 54 HG23 THR 54 -1.455 5.917 1.273 401 H LYS 55 HN LYS 55 -5.037 2.967 1.985 402 HA LYS 55 HA LYS 55 -7.730 2.608 2.312 403 1HB LYS 55 HB2 LYS 55 -6.040 1.181 3.406 404 2HB LYS 55 HB1 LYS 55 -5.665 2.485 4.533 405 1HG LYS 55 HG2 LYS 55 -7.226 0.810 5.514 406 2HG LYS 55 HG1 LYS 55 -7.937 2.421 5.424 407 1HD LYS 55 HD2 LYS 55 -9.434 0.516 4.638 408 2HD LYS 55 HD1 LYS 55 -9.227 1.843 3.494 409 1HE LYS 55 HE2 LYS 55 -7.652 0.600 2.193 410 2HE LYS 55 HE1 LYS 55 -7.490 -0.634 3.442 411 1HZ LYS 55 HZ2 LYS 55 -10.039 -0.047 2.047 412 2HZ LYS 55 HZ1 LYS 55 -8.945 -1.242 1.530 413 3HZ LYS 55 HZ3 LYS 55 -9.683 -1.375 3.051 414 H THR 56 HN THR 56 -9.384 3.940 2.976 415 HA THR 56 HA THR 56 -9.119 5.650 5.295 416 HB THR 56 HB THR 56 -9.152 6.945 2.561 417 HG1 THR 56 HG1 THR 56 -7.397 7.474 4.688 418 1HG2 THR 56 HG23 THR 56 -10.715 7.937 4.340 419 2HG2 THR 56 HG22 THR 56 -9.250 8.353 5.232 420 3HG2 THR 56 HG21 THR 56 -9.533 9.032 3.627 421 H SER 57 HN SER 57 -10.947 6.506 2.458 422 HA SER 57 HA SER 57 -13.412 6.339 3.964 423 1HB SER 57 HB2 SER 57 -14.426 7.433 2.080 424 2HB SER 57 HB1 SER 57 -12.850 8.176 2.334 425 HG SER 57 HG SER 57 -12.034 6.954 0.654 426 H GLY 58 HN GLY 58 -12.755 3.740 3.960 427 1HA GLY 58 HA2 GLY 58 -14.735 2.185 3.193 428 2HA GLY 58 HA1 GLY 58 -14.098 2.527 1.590 429 H LYS 59 HN LYS 59 -14.309 -0.067 2.774 430 HA LYS 59 HA LYS 59 -11.421 -0.805 2.976 431 1HB LYS 59 HB2 LYS 59 -13.767 -2.296 4.190 432 2HB LYS 59 HB1 LYS 59 -12.059 -2.685 4.386 433 1HG LYS 59 HG2 LYS 59 -12.075 -1.371 6.220 434 2HG LYS 59 HG1 LYS 59 -12.245 0.005 5.128 435 1HD LYS 59 HD2 LYS 59 -14.521 0.188 5.483 436 2HD LYS 59 HD1 LYS 59 -14.712 -1.533 5.818 437 1HE LYS 59 HE2 LYS 59 -14.326 -1.262 8.040 438 2HE LYS 59 HE1 LYS 59 -13.014 -0.115 7.765 439 1HZ LYS 59 HZ1 LYS 59 -15.246 1.216 6.948 440 2HZ LYS 59 HZ3 LYS 59 -15.777 0.381 8.323 441 3HZ LYS 59 HZ2 LYS 59 -14.446 1.432 8.430 442 H CYS 60 HN CYS 60 -10.735 -2.387 1.522 443 HA CYS 60 HA CYS 60 -11.988 -2.891 -0.881 444 1HB CYS 60 HB2 CYS 60 -9.667 -3.656 -0.131 445 2HB CYS 60 HB1 CYS 60 -10.461 -5.065 0.564 446 H ASN 61 HN ASN 61 -14.155 -3.435 -1.013 447 HA ASN 61 HA ASN 61 -14.905 -6.093 0.063 448 1HB ASN 61 HB2 ASN 61 -15.543 -4.169 1.692 449 2HB ASN 61 HB1 ASN 61 -16.777 -3.773 0.494 450 1HD2 ASN 61 HD22 ASN 61 -17.632 -6.640 3.069 451 2HD2 ASN 61 HD21 ASN 61 -16.517 -5.386 3.323 452 HA PRO 62 HA PRO 62 -16.297 -5.516 -4.254 453 1HB PRO 62 HB2 PRO 62 -16.291 -8.390 -4.437 454 2HB PRO 62 HB1 PRO 62 -15.174 -7.252 -5.205 455 1HG PRO 62 HG2 PRO 62 -14.627 -9.027 -3.008 456 2HG PRO 62 HG1 PRO 62 -13.527 -7.859 -3.752 457 1HD PRO 62 HD2 PRO 62 -14.819 -7.693 -1.173 458 2HD PRO 62 HD1 PRO 62 -13.675 -6.548 -1.900 459 H ALA 63 HN ALA 63 -18.001 -7.581 -5.200 460 HA ALA 63 HA ALA 63 -20.270 -8.173 -5.123 461 1HB ALA 63 HB1 ALA 63 -19.321 -8.599 -2.300 462 2HB ALA 63 HB3 ALA 63 -21.013 -8.861 -2.721 463 3HB ALA 63 HB2 ALA 63 -19.750 -9.803 -3.514 Start of MODEL 18 Raw file had 463 H/Q atoms Start of MODEL 18 1 1H LYS 1 HT3 LYS 1 5.856 14.067 2.876 2 2H LYS 1 HT2 LYS 1 6.923 14.235 1.565 3 3H LYS 1 HT1 LYS 1 5.254 14.451 1.338 4 HA LYS 1 HA LYS 1 5.286 12.346 0.624 5 1HB LYS 1 HB2 LYS 1 7.797 12.024 2.300 6 2HB LYS 1 HB1 LYS 1 7.114 10.763 1.271 7 1HG LYS 1 HG2 LYS 1 7.275 12.372 -0.667 8 2HG LYS 1 HG1 LYS 1 8.167 13.464 0.392 9 1HD LYS 1 HD2 LYS 1 9.958 11.915 0.651 10 2HD LYS 1 HD1 LYS 1 9.013 10.596 -0.040 11 1HE LYS 1 HE2 LYS 1 8.917 11.946 -2.193 12 2HE LYS 1 HE1 LYS 1 10.118 13.020 -1.475 13 1HZ LYS 1 HZ3 LYS 1 10.917 10.340 -1.135 14 2HZ LYS 1 HZ2 LYS 1 10.559 10.607 -2.774 15 3HZ LYS 1 HZ1 LYS 1 11.703 11.582 -1.982 16 H LYS 2 HN LYS 2 4.909 10.077 1.674 17 HA LYS 2 HA LYS 2 4.313 10.127 4.543 18 1HB LYS 2 HB2 LYS 2 2.377 11.328 3.759 19 2HB LYS 2 HB1 LYS 2 2.099 10.141 2.484 20 1HG LYS 2 HG2 LYS 2 1.615 8.416 4.113 21 2HG LYS 2 HG1 LYS 2 2.060 9.488 5.441 22 1HD LYS 2 HD2 LYS 2 -0.312 9.568 5.350 23 2HD LYS 2 HD1 LYS 2 0.231 11.059 4.577 24 1HE LYS 2 HE2 LYS 2 0.028 9.945 2.359 25 2HE LYS 2 HE1 LYS 2 -0.613 8.512 3.162 26 1HZ LYS 2 HZ3 LYS 2 -2.346 10.028 4.127 27 2HZ LYS 2 HZ2 LYS 2 -1.809 11.219 3.039 28 3HZ LYS 2 HZ1 LYS 2 -2.459 9.761 2.455 29 H ASP 3 HN ASP 3 4.223 8.061 5.356 30 HA ASP 3 HA ASP 3 4.496 5.811 3.419 31 1HB ASP 3 HB2 ASP 3 4.739 5.429 6.362 32 2HB ASP 3 HB1 ASP 3 5.712 4.740 5.064 33 H GLY 4 HN GLY 4 3.036 3.908 3.781 34 1HA GLY 4 HA2 GLY 4 1.155 3.526 5.748 35 2HA GLY 4 HA1 GLY 4 0.409 4.788 4.778 36 OH TYR 5 OH TYR 5 0.299 -2.786 7.401 37 H TYR 5 HN TYR 5 -1.256 3.082 4.551 38 HA TYR 5 HA TYR 5 -0.596 0.939 2.588 39 1HB TYR 5 HB2 TYR 5 -2.978 1.435 4.394 40 2HB TYR 5 HB1 TYR 5 -2.965 0.184 3.155 41 HD1 TYR 5 HD1 TYR 5 -0.491 -1.135 3.226 42 HD2 TYR 5 HD2 TYR 5 -2.611 0.610 6.528 43 HE1 TYR 5 HE1 TYR 5 0.649 -2.694 4.782 44 HE2 TYR 5 HE2 TYR 5 -1.464 -0.943 8.085 45 HH TYR 5 HH TYR 5 -0.161 -2.752 8.244 46 HA PRO 6 HA PRO 6 -2.389 3.978 -0.283 47 1HB PRO 6 HB2 PRO 6 -1.550 2.301 -2.442 48 2HB PRO 6 HB1 PRO 6 -0.803 3.806 -1.897 49 1HG PRO 6 HG2 PRO 6 0.206 1.114 -1.593 50 2HG PRO 6 HG1 PRO 6 0.973 2.628 -1.092 51 1HD PRO 6 HD2 PRO 6 -0.264 0.631 0.585 52 2HD PRO 6 HD1 PRO 6 0.512 2.147 1.080 53 H VAL 7 HN VAL 7 -4.589 3.818 -0.616 54 HA VAL 7 HA VAL 7 -5.682 1.169 -1.506 55 HB VAL 7 HB VAL 7 -7.666 1.569 -0.286 56 1HG1 VAL 7 HG12 VAL 7 -5.332 2.591 1.352 57 2HG1 VAL 7 HG11 VAL 7 -6.842 1.968 2.015 58 3HG1 VAL 7 HG13 VAL 7 -5.766 0.899 1.116 59 1HG2 VAL 7 HG21 VAL 7 -7.903 3.965 -0.931 60 2HG2 VAL 7 HG23 VAL 7 -8.178 3.718 0.793 61 3HG2 VAL 7 HG22 VAL 7 -6.645 4.385 0.231 62 H ASP 8 HN ASP 8 -7.188 1.201 -3.231 63 HA ASP 8 HA ASP 8 -7.004 3.554 -4.959 64 1HB ASP 8 HB2 ASP 8 -8.253 2.245 -6.574 65 2HB ASP 8 HB1 ASP 8 -7.033 1.206 -5.840 66 H SER 9 HN SER 9 -9.533 3.730 -6.104 67 HA SER 9 HA SER 9 -10.901 5.388 -4.183 68 1HB SER 9 HB2 SER 9 -12.408 5.896 -5.925 69 2HB SER 9 HB1 SER 9 -10.895 5.565 -6.764 70 HG SER 9 HG SER 9 -13.190 3.945 -6.487 71 H GLY 10 HN GLY 10 -10.833 2.063 -4.423 72 1HA GLY 10 HA2 GLY 10 -13.643 1.792 -3.462 73 2HA GLY 10 HA1 GLY 10 -12.673 0.469 -4.107 74 H ASN 11 HN ASN 11 -10.636 2.250 -2.181 75 HA ASN 11 HA ASN 11 -9.916 2.021 0.049 76 1HB ASN 11 HB2 ASN 11 -12.723 1.484 0.206 77 2HB ASN 11 HB1 ASN 11 -11.881 0.280 1.165 78 1HD2 ASN 11 HD22 ASN 11 -11.085 4.168 2.161 79 2HD2 ASN 11 HD21 ASN 11 -11.159 3.700 0.533 80 H CYS 12 HN CYS 12 -9.058 0.379 -1.991 81 HA CYS 12 HA CYS 12 -8.800 -2.293 -0.680 82 1HB CYS 12 HB2 CYS 12 -9.239 -1.473 -3.450 83 2HB CYS 12 HB1 CYS 12 -7.847 -2.539 -3.275 84 H LYS 13 HN LYS 13 -6.892 -2.347 0.402 85 HA LYS 13 HA LYS 13 -4.666 -0.609 -0.320 86 1HB LYS 13 HB2 LYS 13 -4.643 -2.955 1.592 87 2HB LYS 13 HB1 LYS 13 -3.554 -1.568 1.589 88 1HG LYS 13 HG2 LYS 13 -5.024 -0.289 2.744 89 2HG LYS 13 HG1 LYS 13 -6.378 -0.796 1.733 90 1HD LYS 13 HD2 LYS 13 -6.932 -1.677 3.846 91 2HD LYS 13 HD1 LYS 13 -6.202 -3.051 3.016 92 1HE LYS 13 HE2 LYS 13 -4.786 -3.202 4.769 93 2HE LYS 13 HE1 LYS 13 -4.027 -1.734 4.153 94 1HZ LYS 13 HZ3 LYS 13 -5.797 -0.503 5.442 95 2HZ LYS 13 HZ2 LYS 13 -6.133 -1.976 6.218 96 3HZ LYS 13 HZ1 LYS 13 -4.595 -1.269 6.361 97 OH TYR 14 OH TYR 14 -4.276 2.274 -6.001 98 H TYR 14 HN TYR 14 -3.398 -1.105 -2.069 99 HA TYR 14 HA TYR 14 -3.323 -3.453 -3.534 100 1HB TYR 14 HB2 TYR 14 -0.835 -1.819 -2.962 101 2HB TYR 14 HB1 TYR 14 -1.188 -2.774 -4.402 102 HD1 TYR 14 HD1 TYR 14 -3.369 -2.177 -5.694 103 HD2 TYR 14 HD2 TYR 14 -1.414 0.470 -2.939 104 HE1 TYR 14 HE1 TYR 14 -4.525 -0.253 -6.731 105 HE2 TYR 14 HE2 TYR 14 -2.573 2.399 -3.977 106 HH TYR 14 HH TYR 14 -4.895 1.931 -6.653 107 H GLU 15 HN GLU 15 -3.217 -5.416 -2.630 108 HA GLU 15 HA GLU 15 -1.614 -6.009 -0.278 109 1HB GLU 15 HB2 GLU 15 -3.598 -7.341 -1.950 110 2HB GLU 15 HB1 GLU 15 -2.306 -8.426 -1.435 111 1HG GLU 15 HG2 GLU 15 -2.942 -8.351 0.753 112 2HG GLU 15 HG1 GLU 15 -3.316 -6.629 0.680 113 H CYS 16 HN CYS 16 -0.215 -8.134 -0.470 114 HA CYS 16 HA CYS 16 1.248 -8.450 -2.953 115 1HB CYS 16 HB2 CYS 16 2.853 -6.942 -2.644 116 2HB CYS 16 HB1 CYS 16 2.053 -6.426 -1.169 117 H LEU 17 HN LEU 17 3.290 -9.935 -2.438 118 HA LEU 17 HA LEU 17 2.426 -11.869 -0.325 119 1HB LEU 17 HB2 LEU 17 3.902 -12.886 -2.706 120 2HB LEU 17 HB1 LEU 17 2.648 -13.665 -1.746 121 HG LEU 17 HG LEU 17 1.924 -11.277 -3.422 122 1HD1 LEU 17 HD11 LEU 17 3.272 -13.235 -4.657 123 2HD1 LEU 17 HD13 LEU 17 1.680 -13.996 -4.620 124 3HD1 LEU 17 HD12 LEU 17 1.893 -12.433 -5.409 125 1HD2 LEU 17 HD23 LEU 17 0.321 -12.324 -1.809 126 2HD2 LEU 17 HD22 LEU 17 -0.234 -12.420 -3.481 127 3HD2 LEU 17 HD21 LEU 17 0.465 -13.839 -2.701 128 H LYS 18 HN LYS 18 5.012 -10.001 -1.655 129 HA LYS 18 HA LYS 18 6.803 -11.146 0.403 130 1HB LYS 18 HB2 LYS 18 8.656 -11.413 -1.259 131 2HB LYS 18 HB1 LYS 18 7.317 -12.530 -1.522 132 1HG LYS 18 HG2 LYS 18 6.403 -10.685 -3.117 133 2HG LYS 18 HG1 LYS 18 8.058 -10.076 -3.095 134 1HD LYS 18 HD2 LYS 18 7.905 -11.577 -4.965 135 2HD LYS 18 HD1 LYS 18 8.811 -12.426 -3.710 136 1HE LYS 18 HE2 LYS 18 6.758 -13.590 -3.001 137 2HE LYS 18 HE1 LYS 18 5.841 -12.736 -4.241 138 1HZ LYS 18 HZ2 LYS 18 7.881 -13.780 -5.650 139 2HZ LYS 18 HZ1 LYS 18 7.613 -14.994 -4.492 140 3HZ LYS 18 HZ3 LYS 18 6.345 -14.492 -5.500 141 H ASP 19 HN ASP 19 8.910 -9.871 0.472 142 HA ASP 19 HA ASP 19 8.337 -7.087 0.785 143 1HB ASP 19 HB2 ASP 19 10.397 -8.854 1.487 144 2HB ASP 19 HB1 ASP 19 11.170 -7.647 0.463 145 H ASP 20 HN ASP 20 9.794 -8.932 -1.849 146 HA ASP 20 HA ASP 20 10.932 -6.779 -3.307 147 1HB ASP 20 HB2 ASP 20 11.500 -8.500 -4.645 148 2HB ASP 20 HB1 ASP 20 10.451 -9.556 -3.708 149 OH TYR 21 OH TYR 21 0.940 -4.356 -6.499 150 H TYR 21 HN TYR 21 7.685 -8.249 -3.861 151 HA TYR 21 HA TYR 21 6.787 -6.386 -5.745 152 1HB TYR 21 HB2 TYR 21 5.419 -8.319 -5.103 153 2HB TYR 21 HB1 TYR 21 5.175 -7.632 -3.495 154 HD1 TYR 21 HD1 TYR 21 4.099 -5.280 -3.352 155 HD2 TYR 21 HD2 TYR 21 3.966 -7.738 -6.871 156 HE1 TYR 21 HE1 TYR 21 2.190 -3.957 -4.210 157 HE2 TYR 21 HE2 TYR 21 2.057 -6.410 -7.725 158 HH TYR 21 HH TYR 21 0.134 -4.844 -6.318 159 H CYS 22 HN CYS 22 6.598 -6.123 -2.187 160 HA CYS 22 HA CYS 22 5.332 -3.601 -2.073 161 1HB CYS 22 HB2 CYS 22 6.645 -5.353 -0.253 162 2HB CYS 22 HB1 CYS 22 7.275 -3.727 -0.015 163 H ASN 23 HN ASN 23 8.722 -4.410 -2.585 164 HA ASN 23 HA ASN 23 9.744 -1.728 -2.334 165 1HB ASN 23 HB2 ASN 23 11.167 -3.779 -2.333 166 2HB ASN 23 HB1 ASN 23 10.772 -4.054 -4.015 167 1HD2 ASN 23 HD22 ASN 23 13.062 -1.671 -5.219 168 2HD2 ASN 23 HD21 ASN 23 11.866 -2.820 -5.578 169 H ASP 24 HN ASP 24 9.273 -3.701 -5.239 170 HA ASP 24 HA ASP 24 9.510 -1.723 -7.197 171 1HB ASP 24 HB2 ASP 24 9.097 -4.237 -7.486 172 2HB ASP 24 HB1 ASP 24 7.389 -3.879 -7.279 173 H LEU 25 HN LEU 25 6.310 -2.890 -6.127 174 HA LEU 25 HA LEU 25 4.670 -0.915 -7.087 175 1HB LEU 25 HB2 LEU 25 3.906 -2.841 -5.697 176 2HB LEU 25 HB1 LEU 25 4.528 -2.027 -4.263 177 HG LEU 25 HG LEU 25 3.014 -0.055 -4.930 178 1HD1 LEU 25 HD11 LEU 25 2.690 -1.171 -7.261 179 2HD1 LEU 25 HD13 LEU 25 1.488 -2.165 -6.439 180 3HD1 LEU 25 HD12 LEU 25 1.296 -0.413 -6.491 181 1HD2 LEU 25 HD23 LEU 25 2.586 -2.212 -3.294 182 2HD2 LEU 25 HD22 LEU 25 1.464 -0.861 -3.447 183 3HD2 LEU 25 HD21 LEU 25 1.201 -2.335 -4.379 184 H CYS 26 HN CYS 26 6.846 -0.672 -4.333 185 HA CYS 26 HA CYS 26 5.981 1.855 -3.372 186 1HB CYS 26 HB2 CYS 26 8.003 -0.057 -2.776 187 2HB CYS 26 HB1 CYS 26 8.802 1.485 -2.970 188 H LEU 27 HN LEU 27 8.684 1.009 -5.531 189 HA LEU 27 HA LEU 27 9.479 3.680 -5.969 190 1HB LEU 27 HB2 LEU 27 11.195 2.600 -6.940 191 2HB LEU 27 HB1 LEU 27 10.327 1.089 -6.692 192 HG LEU 27 HG LEU 27 9.061 1.730 -8.847 193 1HD1 LEU 27 HD11 LEU 27 10.977 3.882 -8.610 194 2HD1 LEU 27 HD13 LEU 27 11.256 2.987 -10.104 195 3HD1 LEU 27 HD12 LEU 27 9.672 3.693 -9.781 196 1HD2 LEU 27 HD21 LEU 27 11.634 0.453 -8.358 197 2HD2 LEU 27 HD23 LEU 27 10.314 -0.069 -9.403 198 3HD2 LEU 27 HD22 LEU 27 11.518 1.070 -10.007 199 H GLU 28 HN GLU 28 7.047 1.696 -7.559 200 HA GLU 28 HA GLU 28 6.694 3.409 -9.813 201 1HB GLU 28 HB2 GLU 28 5.826 0.956 -9.343 202 2HB GLU 28 HB1 GLU 28 4.413 1.816 -8.730 203 1HG GLU 28 HG2 GLU 28 3.802 2.573 -10.802 204 2HG GLU 28 HG1 GLU 28 5.471 2.748 -11.343 205 NH1 ARG 29 NH2 ARG 29 -0.621 4.069 -6.026 206 NH2 ARG 29 NH1 ARG 29 -0.826 2.388 -7.515 207 H ARG 29 HN ARG 29 5.402 3.392 -6.589 208 HA ARG 29 HA ARG 29 3.424 5.441 -7.167 209 1HB ARG 29 HB2 ARG 29 4.039 3.644 -4.977 210 2HB ARG 29 HB1 ARG 29 3.728 5.280 -4.394 211 1HG ARG 29 HG2 ARG 29 1.527 5.130 -4.871 212 2HG ARG 29 HG1 ARG 29 1.847 4.477 -6.479 213 1HD ARG 29 HD2 ARG 29 2.566 2.397 -4.801 214 2HD ARG 29 HD1 ARG 29 1.150 3.073 -4.000 215 HE ARG 29 HE ARG 29 1.079 1.431 -6.302 216 1HH1 ARG 29 HH21 ARG 29 -0.177 4.475 -5.231 217 2HH1 ARG 29 HH22 ARG 29 -1.401 4.530 -6.448 218 1HH2 ARG 29 HH11 ARG 29 -0.532 1.500 -7.868 219 2HH2 ARG 29 HH12 ARG 29 -1.607 2.856 -7.929 220 H LYS 30 HN LYS 30 6.703 5.534 -6.793 221 HA LYS 30 HA LYS 30 8.059 7.500 -6.767 222 1HB LYS 30 HB2 LYS 30 7.169 9.606 -6.500 223 2HB LYS 30 HB1 LYS 30 5.675 8.748 -6.858 224 1HG LYS 30 HG2 LYS 30 4.931 9.679 -4.920 225 2HG LYS 30 HG1 LYS 30 5.856 8.403 -4.136 226 1HD LYS 30 HD2 LYS 30 6.697 10.290 -3.063 227 2HD LYS 30 HD1 LYS 30 7.854 10.115 -4.380 228 1HE LYS 30 HE2 LYS 30 5.911 11.608 -5.592 229 2HE LYS 30 HE1 LYS 30 5.803 12.198 -3.934 230 1HZ LYS 30 HZ3 LYS 30 8.369 11.966 -5.396 231 2HZ LYS 30 HZ2 LYS 30 7.430 13.382 -5.402 232 3HZ LYS 30 HZ1 LYS 30 8.071 12.791 -3.944 233 H ALA 31 HN ALA 31 6.992 5.496 -4.524 234 HA ALA 31 HA ALA 31 8.004 6.792 -2.112 235 1HB ALA 31 HB3 ALA 31 6.566 4.331 -2.785 236 2HB ALA 31 HB2 ALA 31 7.811 4.082 -1.561 237 3HB ALA 31 HB1 ALA 31 6.538 5.274 -1.295 238 H ASP 32 HN ASP 32 9.888 6.077 -0.973 239 HA ASP 32 HA ASP 32 12.082 5.376 -2.704 240 1HB ASP 32 HB2 ASP 32 11.840 6.867 -0.469 241 2HB ASP 32 HB1 ASP 32 12.395 5.361 0.235 242 H LYS 33 HN LYS 33 10.243 3.818 -0.084 243 HA LYS 33 HA LYS 33 10.941 1.188 -1.114 244 1HB LYS 33 HB2 LYS 33 12.262 0.407 0.786 245 2HB LYS 33 HB1 LYS 33 13.061 1.786 0.031 246 1HG LYS 33 HG2 LYS 33 13.118 2.687 2.108 247 2HG LYS 33 HG1 LYS 33 11.391 2.977 1.895 248 1HD LYS 33 HD2 LYS 33 10.836 0.879 2.955 249 2HD LYS 33 HD1 LYS 33 12.532 0.399 3.002 250 1HE LYS 33 HE2 LYS 33 12.033 3.002 4.261 251 2HE LYS 33 HE1 LYS 33 11.184 1.673 5.050 252 1HZ LYS 33 HZ1 LYS 33 13.509 0.524 4.757 253 2HZ LYS 33 HZ3 LYS 33 14.060 2.128 4.747 254 3HZ LYS 33 HZ2 LYS 33 13.189 1.539 6.082 255 H GLY 34 HN GLY 34 9.920 -0.549 0.144 256 1HA GLY 34 HA2 GLY 34 8.181 0.171 2.378 257 2HA GLY 34 HA1 GLY 34 7.308 -0.137 0.880 258 OH TYR 35 OH TYR 35 6.187 -0.878 8.527 259 H TYR 35 HN TYR 35 7.379 -1.705 3.448 260 HA TYR 35 HA TYR 35 8.400 -4.258 2.285 261 1HB TYR 35 HB2 TYR 35 8.229 -5.145 4.653 262 2HB TYR 35 HB1 TYR 35 9.496 -3.970 4.375 263 HD1 TYR 35 HD1 TYR 35 5.992 -4.330 5.569 264 HD2 TYR 35 HD2 TYR 35 9.569 -1.954 5.659 265 HE1 TYR 35 HE1 TYR 35 5.013 -2.930 7.362 266 HE2 TYR 35 HE2 TYR 35 8.587 -0.547 7.453 267 HH TYR 35 HH TYR 35 6.577 -1.153 9.359 268 H CYS 36 HN CYS 36 7.043 -6.151 2.877 269 HA CYS 36 HA CYS 36 4.226 -5.397 2.387 270 1HB CYS 36 HB2 CYS 36 5.635 -7.291 1.214 271 2HB CYS 36 HB1 CYS 36 5.091 -8.255 2.585 272 OH TYR 37 OH TYR 37 0.646 -5.332 11.994 273 H TYR 37 HN TYR 37 2.966 -5.031 4.088 274 HA TYR 37 HA TYR 37 3.503 -6.347 6.677 275 1HB TYR 37 HB2 TYR 37 2.865 -3.895 6.459 276 2HB TYR 37 HB1 TYR 37 1.262 -4.433 5.958 277 HD1 TYR 37 HD1 TYR 37 0.124 -6.226 7.559 278 HD2 TYR 37 HD2 TYR 37 3.272 -3.545 8.729 279 HE1 TYR 37 HE1 TYR 37 -0.523 -6.502 9.935 280 HE2 TYR 37 HE2 TYR 37 2.623 -3.825 11.106 281 HH TYR 37 HH TYR 37 1.436 -5.533 12.499 282 CH2 TRP 38 CH2 TRP 38 0.076 -14.425 2.199 283 H TRP 38 HN TRP 38 2.929 -8.521 6.185 284 HA TRP 38 HA TRP 38 0.481 -9.232 4.879 285 1HB TRP 38 HB2 TRP 38 2.636 -10.640 6.306 286 2HB TRP 38 HB1 TRP 38 1.059 -11.415 6.447 287 HD1 TRP 38 HD1 TRP 38 3.245 -9.897 3.625 288 HE1 TRP 38 HE1 TRP 38 2.904 -11.339 1.511 289 HE3 TRP 38 HE3 TRP 38 -0.208 -13.225 5.378 290 HZ2 TRP 38 HZ2 TRP 38 1.363 -13.606 0.678 291 HZ3 TRP 38 HZ3 TRP 38 -1.096 -15.011 3.910 292 HH2 TRP 38 HH2 TRP 38 -0.315 -15.206 1.563 293 H GLY 39 HN GLY 39 0.800 -10.677 8.041 294 1HA GLY 39 HA2 GLY 39 -0.909 -10.877 9.673 295 2HA GLY 39 HA1 GLY 39 -0.694 -9.126 9.746 296 H LYS 40 HN LYS 40 -1.835 -10.772 6.872 297 HA LYS 40 HA LYS 40 -3.869 -10.619 5.716 298 1HB LYS 40 HB2 LYS 40 -5.328 -9.901 8.230 299 2HB LYS 40 HB1 LYS 40 -5.804 -10.997 6.936 300 1HG LYS 40 HG2 LYS 40 -3.742 -11.507 9.096 301 2HG LYS 40 HG1 LYS 40 -5.278 -12.341 8.870 302 1HD LYS 40 HD2 LYS 40 -3.327 -12.343 6.599 303 2HD LYS 40 HD1 LYS 40 -3.011 -13.398 7.975 304 1HE LYS 40 HE2 LYS 40 -4.898 -14.687 7.600 305 2HE LYS 40 HE1 LYS 40 -5.768 -13.368 6.814 306 1HZ LYS 40 HZ1 LYS 40 -3.674 -13.722 5.172 307 2HZ LYS 40 HZ3 LYS 40 -3.958 -15.313 5.687 308 3HZ LYS 40 HZ2 LYS 40 -5.202 -14.427 4.945 309 H VAL 41 HN VAL 41 -2.424 -8.431 5.396 310 HA VAL 41 HA VAL 41 -4.405 -6.233 5.676 311 HB VAL 41 HB VAL 41 -1.450 -6.009 6.320 312 1HG1 VAL 41 HG12 VAL 41 -3.687 -4.000 6.072 313 2HG1 VAL 41 HG11 VAL 41 -2.289 -3.684 7.098 314 3HG1 VAL 41 HG13 VAL 41 -2.072 -3.937 5.366 315 1HG2 VAL 41 HG22 VAL 41 -3.967 -6.075 7.985 316 2HG2 VAL 41 HG21 VAL 41 -2.493 -7.021 8.189 317 3HG2 VAL 41 HG23 VAL 41 -2.498 -5.301 8.579 318 H SER 42 HN SER 42 -1.217 -5.427 4.574 319 HA SER 42 HA SER 42 -1.598 -6.106 1.790 320 1HB SER 42 HB2 SER 42 -1.754 -3.215 1.852 321 2HB SER 42 HB1 SER 42 -2.792 -4.367 1.017 322 HG SER 42 HG SER 42 -2.935 -3.582 3.746 323 H CYS 43 HN CYS 43 -0.337 -3.841 0.691 324 HA CYS 43 HA CYS 43 2.424 -4.325 1.608 325 1HB CYS 43 HB2 CYS 43 1.183 -3.718 -0.878 326 2HB CYS 43 HB1 CYS 43 2.289 -2.396 -0.503 327 OH TYR 44 OH TYR 44 2.729 3.437 8.029 328 H TYR 44 HN TYR 44 3.604 -2.896 2.749 329 HA TYR 44 HA TYR 44 2.405 -0.229 3.359 330 1HB TYR 44 HB2 TYR 44 3.133 -1.975 5.187 331 2HB TYR 44 HB1 TYR 44 4.757 -1.387 4.830 332 HD1 TYR 44 HD2 TYR 44 1.347 -0.291 5.828 333 HD2 TYR 44 HD1 TYR 44 5.511 0.720 5.659 334 HE1 TYR 44 HE2 TYR 44 0.911 1.686 7.224 335 HE2 TYR 44 HE1 TYR 44 5.087 2.708 7.064 336 HH TYR 44 HH TYR 44 2.732 4.212 7.463 337 H CYS 45 HN CYS 45 3.357 1.517 2.422 338 HA CYS 45 HA CYS 45 6.130 1.168 1.346 339 1HB CYS 45 HB2 CYS 45 3.708 2.409 0.252 340 2HB CYS 45 HB1 CYS 45 5.175 3.343 0.043 341 OH TYR 46 OH TYR 46 7.060 1.015 7.575 342 H TYR 46 HN TYR 46 7.095 3.392 0.946 343 HA TYR 46 HA TYR 46 6.619 5.362 3.099 344 1HB TYR 46 HB2 TYR 46 9.242 3.924 2.667 345 2HB TYR 46 HB1 TYR 46 9.044 5.327 3.709 346 HD1 TYR 46 HD1 TYR 46 8.284 1.753 3.257 347 HD2 TYR 46 HD2 TYR 46 7.938 5.130 5.860 348 HE1 TYR 46 HE1 TYR 46 7.645 0.246 5.117 349 HE2 TYR 46 HE2 TYR 46 7.279 3.639 7.722 350 HH TYR 46 HH TYR 46 7.548 1.286 8.356 351 H GLY 47 HN GLY 47 6.349 7.083 1.700 352 1HA GLY 47 HA2 GLY 47 7.825 8.789 0.516 353 2HA GLY 47 HA1 GLY 47 8.421 7.430 -0.434 354 H LEU 48 HN LEU 48 5.088 7.344 0.398 355 HA LEU 48 HA LEU 48 4.326 7.612 -2.422 356 1HB LEU 48 HB2 LEU 48 2.472 7.393 -0.035 357 2HB LEU 48 HB1 LEU 48 2.153 6.905 -1.697 358 HG LEU 48 HG LEU 48 4.182 5.627 0.156 359 1HD1 LEU 48 HD11 LEU 48 1.368 5.003 -0.643 360 2HD1 LEU 48 HD13 LEU 48 2.489 3.655 -0.444 361 3HD1 LEU 48 HD12 LEU 48 2.177 4.748 0.904 362 1HD2 LEU 48 HD23 LEU 48 4.715 5.713 -2.346 363 2HD2 LEU 48 HD22 LEU 48 4.637 4.101 -1.632 364 3HD2 LEU 48 HD21 LEU 48 3.284 4.710 -2.586 365 HA PRO 49 HA PRO 49 3.160 11.816 -2.584 366 1HB PRO 49 HB2 PRO 49 0.299 11.274 -2.946 367 2HB PRO 49 HB1 PRO 49 1.453 11.981 -4.086 368 1HG PRO 49 HG2 PRO 49 0.390 9.353 -4.201 369 2HG PRO 49 HG1 PRO 49 1.738 9.981 -5.158 370 1HD PRO 49 HD2 PRO 49 1.828 8.050 -3.005 371 2HD PRO 49 HD1 PRO 49 3.167 8.619 -4.020 372 H ASP 50 HN ASP 50 2.586 13.338 -1.036 373 HA ASP 50 HA ASP 50 2.047 12.620 1.589 374 1HB ASP 50 HB2 ASP 50 2.196 15.051 0.057 375 2HB ASP 50 HB1 ASP 50 0.918 15.151 1.261 376 H ASN 51 HN ASN 51 -0.311 14.182 -0.516 377 HA ASN 51 HA ASN 51 -2.507 13.416 1.158 378 1HB ASN 51 HB2 ASN 51 -3.828 14.404 -0.782 379 2HB ASN 51 HB1 ASN 51 -2.711 15.490 0.026 380 1HD2 ASN 51 HD22 ASN 51 -1.865 16.090 -3.440 381 2HD2 ASN 51 HD21 ASN 51 -2.971 16.575 -2.245 382 H SER 52 HN SER 52 -0.738 11.498 -0.756 383 HA SER 52 HA SER 52 -2.282 10.189 -2.617 384 1HB SER 52 HB2 SER 52 0.058 9.563 -1.684 385 2HB SER 52 HB1 SER 52 -0.829 8.579 -0.521 386 HG SER 52 HG SER 52 -1.550 8.378 -3.206 387 HA PRO 53 HA PRO 53 -5.955 9.052 -0.404 388 1HB PRO 53 HB2 PRO 53 -6.656 7.115 -2.386 389 2HB PRO 53 HB1 PRO 53 -7.270 8.767 -2.233 390 1HG PRO 53 HG2 PRO 53 -5.436 7.723 -4.221 391 2HG PRO 53 HG1 PRO 53 -6.125 9.349 -4.115 392 1HD PRO 53 HD2 PRO 53 -3.424 8.547 -3.539 393 2HD PRO 53 HD1 PRO 53 -4.129 10.169 -3.389 394 H THR 54 HN THR 54 -5.349 7.823 1.384 395 HA THR 54 HA THR 54 -4.544 4.995 0.857 396 HB THR 54 HB THR 54 -3.477 5.076 3.103 397 HG1 THR 54 HG1 THR 54 -3.257 7.535 3.651 398 1HG2 THR 54 HG22 THR 54 -2.658 6.348 0.713 399 2HG2 THR 54 HG21 THR 54 -2.176 7.413 2.034 400 3HG2 THR 54 HG23 THR 54 -1.629 5.737 2.009 401 H LYS 55 HN LYS 55 -5.194 3.590 2.896 402 HA LYS 55 HA LYS 55 -7.890 3.144 2.975 403 1HB LYS 55 HB2 LYS 55 -6.038 1.862 4.193 404 2HB LYS 55 HB1 LYS 55 -6.255 3.012 5.512 405 1HG LYS 55 HG2 LYS 55 -7.608 0.959 5.848 406 2HG LYS 55 HG1 LYS 55 -8.619 2.396 5.697 407 1HD LYS 55 HD2 LYS 55 -9.316 1.834 3.526 408 2HD LYS 55 HD1 LYS 55 -7.947 0.751 3.267 409 1HE LYS 55 HE2 LYS 55 -8.863 -0.798 4.971 410 2HE LYS 55 HE1 LYS 55 -10.247 0.272 5.185 411 1HZ LYS 55 HZ1 LYS 55 -9.482 -0.996 2.613 412 2HZ LYS 55 HZ3 LYS 55 -10.682 -1.585 3.655 413 3HZ LYS 55 HZ2 LYS 55 -10.874 -0.069 2.913 414 H THR 56 HN THR 56 -9.682 3.885 4.181 415 HA THR 56 HA THR 56 -9.253 6.460 5.637 416 HB THR 56 HB THR 56 -11.642 5.659 3.950 417 HG1 THR 56 HG1 THR 56 -10.627 7.759 2.953 418 1HG2 THR 56 HG23 THR 56 -10.972 8.154 5.529 419 2HG2 THR 56 HG22 THR 56 -12.235 8.098 4.298 420 3HG2 THR 56 HG21 THR 56 -12.365 7.093 5.742 421 H SER 57 HN SER 57 -12.413 5.102 5.516 422 HA SER 57 HA SER 57 -12.053 3.738 8.086 423 1HB SER 57 HB2 SER 57 -14.344 5.016 8.666 424 2HB SER 57 HB1 SER 57 -12.767 5.684 9.082 425 HG SER 57 HG SER 57 -14.413 6.266 6.850 426 H GLY 58 HN GLY 58 -12.394 2.266 5.933 427 1HA GLY 58 HA2 GLY 58 -14.936 0.964 6.321 428 2HA GLY 58 HA1 GLY 58 -14.939 1.874 4.809 429 H LYS 59 HN LYS 59 -15.115 -0.960 4.852 430 HA LYS 59 HA LYS 59 -12.412 -1.954 4.208 431 1HB LYS 59 HB2 LYS 59 -14.954 -3.132 4.960 432 2HB LYS 59 HB1 LYS 59 -14.298 -3.914 3.521 433 1HG LYS 59 HG2 LYS 59 -12.221 -3.408 5.500 434 2HG LYS 59 HG1 LYS 59 -13.520 -4.400 6.162 435 1HD LYS 59 HD2 LYS 59 -12.849 -6.186 4.966 436 2HD LYS 59 HD1 LYS 59 -12.889 -5.252 3.470 437 1HE LYS 59 HE2 LYS 59 -10.603 -5.436 5.450 438 2HE LYS 59 HE1 LYS 59 -10.622 -6.013 3.783 439 1HZ LYS 59 HZ1 LYS 59 -11.330 -3.400 3.577 440 2HZ LYS 59 HZ3 LYS 59 -10.147 -3.376 4.791 441 3HZ LYS 59 HZ2 LYS 59 -9.786 -4.036 3.267 442 H CYS 60 HN CYS 60 -12.496 -3.472 2.091 443 HA CYS 60 HA CYS 60 -13.024 -1.619 -0.111 444 1HB CYS 60 HB2 CYS 60 -11.063 -3.340 0.145 445 2HB CYS 60 HB1 CYS 60 -12.225 -4.492 -0.505 446 H ASN 61 HN ASN 61 -14.144 -2.618 -2.148 447 HA ASN 61 HA ASN 61 -16.861 -3.250 -1.444 448 1HB ASN 61 HB2 ASN 61 -15.269 -2.918 -3.947 449 2HB ASN 61 HB1 ASN 61 -16.776 -3.805 -4.054 450 1HD2 ASN 61 HD22 ASN 61 -17.603 -0.243 -2.354 451 2HD2 ASN 61 HD21 ASN 61 -16.675 -1.421 -1.565 452 HA PRO 62 HA PRO 62 -16.989 -7.610 -1.346 453 1HB PRO 62 HB2 PRO 62 -18.959 -7.974 -3.416 454 2HB PRO 62 HB1 PRO 62 -19.205 -7.997 -1.664 455 1HG PRO 62 HG2 PRO 62 -20.010 -5.949 -3.520 456 2HG PRO 62 HG1 PRO 62 -20.227 -5.965 -1.765 457 1HD PRO 62 HD2 PRO 62 -18.394 -4.355 -3.306 458 2HD PRO 62 HD1 PRO 62 -18.626 -4.360 -1.546 459 H ALA 63 HN ALA 63 -14.899 -8.021 -2.293 460 HA ALA 63 HA ALA 63 -14.982 -9.459 -4.802 461 1HB ALA 63 HB2 ALA 63 -14.520 -6.660 -4.968 462 2HB ALA 63 HB1 ALA 63 -12.975 -7.457 -5.269 463 3HB ALA 63 HB3 ALA 63 -14.379 -7.854 -6.258 Start of MODEL 19 Raw file had 463 H/Q atoms Start of MODEL 19 1 1H LYS 1 HT1 LYS 1 1.910 13.632 3.604 2 2H LYS 1 HT3 LYS 1 3.145 14.595 2.953 3 3H LYS 1 HT2 LYS 1 1.923 13.986 1.943 4 HA LYS 1 HA LYS 1 2.900 12.017 1.699 5 1HB LYS 1 HB2 LYS 1 5.324 12.096 1.870 6 2HB LYS 1 HB1 LYS 1 4.744 13.675 1.338 7 1HG LYS 1 HG2 LYS 1 4.700 14.186 3.932 8 2HG LYS 1 HG1 LYS 1 5.870 12.868 3.997 9 1HD LYS 1 HD2 LYS 1 6.240 15.038 1.957 10 2HD LYS 1 HD1 LYS 1 6.700 15.348 3.632 11 1HE LYS 1 HE2 LYS 1 8.580 14.134 3.387 12 2HE LYS 1 HE1 LYS 1 7.649 12.741 2.834 13 1HZ LYS 1 HZ2 LYS 1 7.925 14.896 0.917 14 2HZ LYS 1 HZ1 LYS 1 9.369 14.087 1.303 15 3HZ LYS 1 HZ3 LYS 1 8.048 13.216 0.693 16 H LYS 2 HN LYS 2 3.081 10.029 2.706 17 HA LYS 2 HA LYS 2 4.076 9.691 5.384 18 1HB LYS 2 HB2 LYS 2 2.128 9.440 6.648 19 2HB LYS 2 HB1 LYS 2 1.706 10.799 5.610 20 1HG LYS 2 HG2 LYS 2 0.944 7.894 5.178 21 2HG LYS 2 HG1 LYS 2 -0.142 9.210 5.624 22 1HD LYS 2 HD2 LYS 2 0.244 10.320 3.498 23 2HD LYS 2 HD1 LYS 2 1.473 9.132 3.060 24 1HE LYS 2 HE2 LYS 2 -0.124 7.808 2.188 25 2HE LYS 2 HE1 LYS 2 -0.893 7.704 3.772 26 1HZ LYS 2 HZ2 LYS 2 -1.311 10.154 2.250 27 2HZ LYS 2 HZ1 LYS 2 -2.095 8.758 1.682 28 3HZ LYS 2 HZ3 LYS 2 -2.381 9.306 3.261 29 H ASP 3 HN ASP 3 3.537 7.370 6.167 30 HA ASP 3 HA ASP 3 3.875 5.555 3.870 31 1HB ASP 3 HB2 ASP 3 3.665 4.560 6.672 32 2HB ASP 3 HB1 ASP 3 4.794 4.084 5.403 33 H GLY 4 HN GLY 4 2.502 3.459 3.945 34 1HA GLY 4 HA2 GLY 4 0.177 3.091 5.400 35 2HA GLY 4 HA1 GLY 4 -0.296 4.258 4.171 36 OH TYR 5 OH TYR 5 0.195 -3.042 7.350 37 H TYR 5 HN TYR 5 -1.702 2.118 3.962 38 HA TYR 5 HA TYR 5 -0.417 0.134 2.180 39 1HB TYR 5 HB2 TYR 5 -3.158 0.304 3.457 40 2HB TYR 5 HB1 TYR 5 -2.682 -0.982 2.347 41 HD1 TYR 5 HD1 TYR 5 -0.692 -2.430 2.922 42 HD2 TYR 5 HD2 TYR 5 -2.481 0.275 5.735 43 HE1 TYR 5 HE1 TYR 5 0.409 -3.641 4.783 44 HE2 TYR 5 HE2 TYR 5 -1.380 -0.933 7.599 45 HH TYR 5 HH TYR 5 0.921 -2.502 7.670 46 HA PRO 6 HA PRO 6 -1.905 2.836 -1.132 47 1HB PRO 6 HB2 PRO 6 -0.851 0.924 -3.009 48 2HB PRO 6 HB1 PRO 6 -0.202 2.514 -2.586 49 1HG PRO 6 HG2 PRO 6 0.867 -0.058 -1.864 50 2HG PRO 6 HG1 PRO 6 1.488 1.536 -1.413 51 1HD PRO 6 HD2 PRO 6 0.116 -0.380 0.263 52 2HD PRO 6 HD1 PRO 6 0.780 1.200 0.724 53 H VAL 7 HN VAL 7 -4.097 2.652 -1.508 54 HA VAL 7 HA VAL 7 -5.129 -0.015 -2.403 55 HB VAL 7 HB VAL 7 -7.244 0.513 -1.410 56 1HG1 VAL 7 HG11 VAL 7 -4.942 1.321 0.379 57 2HG1 VAL 7 HG13 VAL 7 -6.567 0.979 0.969 58 3HG1 VAL 7 HG12 VAL 7 -5.621 -0.295 0.196 59 1HG2 VAL 7 HG22 VAL 7 -6.056 3.272 -1.049 60 2HG2 VAL 7 HG21 VAL 7 -7.504 2.835 -1.955 61 3HG2 VAL 7 HG23 VAL 7 -7.501 2.740 -0.194 62 H ASP 8 HN ASP 8 -6.580 -0.032 -4.178 63 HA ASP 8 HA ASP 8 -6.105 2.072 -6.117 64 1HB ASP 8 HB2 ASP 8 -7.429 0.741 -7.626 65 2HB ASP 8 HB1 ASP 8 -6.440 -0.367 -6.674 66 H SER 9 HN SER 9 -8.707 2.143 -7.351 67 HA SER 9 HA SER 9 -9.854 4.348 -5.860 68 1HB SER 9 HB2 SER 9 -10.905 4.809 -7.817 69 2HB SER 9 HB1 SER 9 -9.879 3.550 -8.496 70 HG SER 9 HG SER 9 -12.498 3.575 -8.341 71 H GLY 10 HN GLY 10 -10.068 1.134 -5.217 72 1HA GLY 10 HA2 GLY 10 -12.908 1.377 -4.306 73 2HA GLY 10 HA1 GLY 10 -12.162 -0.158 -4.750 74 H ASN 11 HN ASN 11 -9.864 1.665 -3.147 75 HA ASN 11 HA ASN 11 -9.080 1.669 -0.932 76 1HB ASN 11 HB2 ASN 11 -11.775 1.856 -0.553 77 2HB ASN 11 HB1 ASN 11 -11.456 0.289 0.193 78 1HD2 ASN 11 HD22 ASN 11 -10.880 3.087 2.698 79 2HD2 ASN 11 HD21 ASN 11 -12.192 2.714 1.687 80 H CYS 12 HN CYS 12 -8.705 -0.402 -2.817 81 HA CYS 12 HA CYS 12 -8.574 -2.828 -1.085 82 1HB CYS 12 HB2 CYS 12 -8.972 -2.386 -3.996 83 2HB CYS 12 HB1 CYS 12 -7.961 -3.759 -3.550 84 H LYS 13 HN LYS 13 -6.641 -2.610 -0.048 85 HA LYS 13 HA LYS 13 -4.301 -1.384 -1.102 86 1HB LYS 13 HB2 LYS 13 -3.173 -2.881 0.728 87 2HB LYS 13 HB1 LYS 13 -4.293 -1.614 1.227 88 1HG LYS 13 HG2 LYS 13 -5.643 -4.137 0.597 89 2HG LYS 13 HG1 LYS 13 -4.486 -4.293 1.917 90 1HD LYS 13 HD2 LYS 13 -5.654 -1.992 2.666 91 2HD LYS 13 HD1 LYS 13 -7.003 -2.706 1.783 92 1HE LYS 13 HE2 LYS 13 -7.338 -3.589 3.915 93 2HE LYS 13 HE1 LYS 13 -6.384 -4.865 3.158 94 1HZ LYS 13 HZ2 LYS 13 -5.019 -2.667 4.555 95 2HZ LYS 13 HZ1 LYS 13 -5.702 -3.931 5.462 96 3HZ LYS 13 HZ3 LYS 13 -4.507 -4.268 4.307 97 OH TYR 14 OH TYR 14 -3.430 1.214 -6.466 98 H TYR 14 HN TYR 14 -2.633 -2.177 -2.358 99 HA TYR 14 HA TYR 14 -3.021 -4.610 -3.848 100 1HB TYR 14 HB2 TYR 14 -0.368 -3.192 -3.483 101 2HB TYR 14 HB1 TYR 14 -0.917 -4.138 -4.868 102 HD1 TYR 14 HD2 TYR 14 -3.499 -3.249 -5.547 103 HD2 TYR 14 HD1 TYR 14 -0.230 -0.921 -4.017 104 HE1 TYR 14 HE2 TYR 14 -4.465 -1.221 -6.585 105 HE2 TYR 14 HE1 TYR 14 -1.195 1.112 -5.054 106 HH TYR 14 HH TYR 14 -4.175 0.946 -7.009 107 H GLU 15 HN GLU 15 -2.493 -6.648 -3.257 108 HA GLU 15 HA GLU 15 -1.601 -7.308 -0.642 109 1HB GLU 15 HB2 GLU 15 -1.759 -8.806 -3.235 110 2HB GLU 15 HB1 GLU 15 -1.016 -9.557 -1.823 111 1HG GLU 15 HG2 GLU 15 -3.150 -10.184 -1.320 112 2HG GLU 15 HG1 GLU 15 -3.302 -8.529 -0.729 113 H CYS 16 HN CYS 16 0.459 -9.065 -0.722 114 HA CYS 16 HA CYS 16 2.744 -7.998 -2.194 115 1HB CYS 16 HB2 CYS 16 4.020 -7.213 -0.317 116 2HB CYS 16 HB1 CYS 16 2.455 -6.414 -0.262 117 H LEU 17 HN LEU 17 4.806 -9.186 -1.460 118 HA LEU 17 HA LEU 17 4.219 -11.821 -0.220 119 1HB LEU 17 HB2 LEU 17 5.839 -11.748 -2.748 120 2HB LEU 17 HB1 LEU 17 4.929 -13.087 -2.047 121 HG LEU 17 HG LEU 17 2.868 -11.477 -2.482 122 1HD1 LEU 17 HD13 LEU 17 4.685 -9.766 -3.365 123 2HD1 LEU 17 HD12 LEU 17 4.534 -10.705 -4.850 124 3HD1 LEU 17 HD11 LEU 17 3.121 -9.899 -4.168 125 1HD2 LEU 17 HD23 LEU 17 4.322 -13.139 -4.556 126 2HD2 LEU 17 HD22 LEU 17 3.016 -13.660 -3.492 127 3HD2 LEU 17 HD21 LEU 17 2.690 -12.515 -4.793 128 H LYS 18 HN LYS 18 6.702 -9.664 -1.603 129 HA LYS 18 HA LYS 18 8.507 -10.544 0.610 130 1HB LYS 18 HB2 LYS 18 9.176 -10.197 -2.322 131 2HB LYS 18 HB1 LYS 18 10.410 -10.224 -1.063 132 1HG LYS 18 HG2 LYS 18 8.374 -12.426 -1.139 133 2HG LYS 18 HG1 LYS 18 9.711 -12.459 -2.289 134 1HD LYS 18 HD2 LYS 18 10.874 -11.802 0.188 135 2HD LYS 18 HD1 LYS 18 9.728 -13.095 0.537 136 1HE LYS 18 HE2 LYS 18 10.824 -14.623 -0.823 137 2HE LYS 18 HE1 LYS 18 11.505 -13.369 -1.858 138 1HZ LYS 18 HZ3 LYS 18 12.339 -13.374 0.933 139 2HZ LYS 18 HZ2 LYS 18 12.925 -14.637 -0.039 140 3HZ LYS 18 HZ1 LYS 18 13.232 -13.021 -0.465 141 H ASP 19 HN ASP 19 10.592 -8.835 0.235 142 HA ASP 19 HA ASP 19 9.351 -6.237 0.866 143 1HB ASP 19 HB2 ASP 19 11.076 -6.865 2.378 144 2HB ASP 19 HB1 ASP 19 12.156 -7.343 1.070 145 H ASP 20 HN ASP 20 11.236 -7.732 -1.709 146 HA ASP 20 HA ASP 20 11.986 -5.267 -2.999 147 1HB ASP 20 HB2 ASP 20 12.641 -6.711 -4.824 148 2HB ASP 20 HB1 ASP 20 13.121 -7.478 -3.322 149 OH TYR 21 OH TYR 21 1.795 -5.854 -6.367 150 H TYR 21 HN TYR 21 9.211 -7.484 -3.303 151 HA TYR 21 HA TYR 21 8.132 -6.319 -5.684 152 1HB TYR 21 HB2 TYR 21 7.204 -8.406 -4.927 153 2HB TYR 21 HB1 TYR 21 6.808 -7.729 -3.348 154 HD1 TYR 21 HD2 TYR 21 6.161 -7.015 -6.986 155 HD2 TYR 21 HD1 TYR 21 4.600 -7.045 -2.980 156 HE1 TYR 21 HE2 TYR 21 3.947 -6.293 -7.839 157 HE2 TYR 21 HE1 TYR 21 2.390 -6.320 -3.836 158 HH TYR 21 HH TYR 21 1.872 -5.710 -7.313 159 H CYS 22 HN CYS 22 7.418 -5.696 -2.245 160 HA CYS 22 HA CYS 22 5.610 -3.545 -2.667 161 1HB CYS 22 HB2 CYS 22 7.495 -4.122 -0.375 162 2HB CYS 22 HB1 CYS 22 6.250 -2.878 -0.335 163 H ASN 23 HN ASN 23 9.114 -3.481 -2.058 164 HA ASN 23 HA ASN 23 9.511 -0.685 -2.082 165 1HB ASN 23 HB2 ASN 23 11.186 -2.620 -1.719 166 2HB ASN 23 HB1 ASN 23 11.348 -2.661 -3.459 167 1HD2 ASN 23 HD22 ASN 23 12.305 1.092 -2.731 168 2HD2 ASN 23 HD21 ASN 23 10.730 0.506 -2.927 169 H ASP 24 HN ASP 24 9.333 -2.982 -4.739 170 HA ASP 24 HA ASP 24 9.888 -1.094 -6.842 171 1HB ASP 24 HB2 ASP 24 10.004 -3.582 -7.096 172 2HB ASP 24 HB1 ASP 24 8.250 -3.643 -7.012 173 H LEU 25 HN LEU 25 6.761 -2.743 -6.442 174 HA LEU 25 HA LEU 25 5.149 -0.980 -7.827 175 1HB LEU 25 HB2 LEU 25 4.156 -2.965 -6.946 176 2HB LEU 25 HB1 LEU 25 4.600 -2.542 -5.294 177 HG LEU 25 HG LEU 25 3.029 -0.397 -6.308 178 1HD1 LEU 25 HD12 LEU 25 1.963 -3.161 -6.912 179 2HD1 LEU 25 HD11 LEU 25 0.900 -1.773 -6.679 180 3HD1 LEU 25 HD13 LEU 25 2.068 -1.777 -8.001 181 1HD2 LEU 25 HD21 LEU 25 3.246 -2.074 -4.036 182 2HD2 LEU 25 HD23 LEU 25 2.260 -0.619 -4.196 183 3HD2 LEU 25 HD22 LEU 25 1.573 -2.198 -4.579 184 H CYS 26 HN CYS 26 6.424 -0.599 -4.598 185 HA CYS 26 HA CYS 26 4.958 1.670 -3.779 186 1HB CYS 26 HB2 CYS 26 7.563 0.396 -3.029 187 2HB CYS 26 HB1 CYS 26 7.187 1.963 -2.376 188 H LEU 27 HN LEU 27 8.157 1.357 -5.288 189 HA LEU 27 HA LEU 27 8.702 4.118 -5.456 190 1HB LEU 27 HB2 LEU 27 10.683 3.399 -6.264 191 2HB LEU 27 HB1 LEU 27 10.064 1.773 -6.008 192 HG LEU 27 HG LEU 27 8.972 2.167 -8.372 193 1HD1 LEU 27 HD13 LEU 27 10.603 4.494 -8.025 194 2HD1 LEU 27 HD12 LEU 27 11.293 3.520 -9.324 195 3HD1 LEU 27 HD11 LEU 27 9.614 4.054 -9.417 196 1HD2 LEU 27 HD23 LEU 27 11.670 1.267 -7.516 197 2HD2 LEU 27 HD22 LEU 27 10.418 0.382 -8.388 198 3HD2 LEU 27 HD21 LEU 27 11.459 1.516 -9.249 199 H GLU 28 HN GLU 28 6.920 1.966 -7.598 200 HA GLU 28 HA GLU 28 6.745 3.826 -9.759 201 1HB GLU 28 HB2 GLU 28 5.900 1.174 -9.276 202 2HB GLU 28 HB1 GLU 28 4.446 2.095 -9.660 203 1HG GLU 28 HG2 GLU 28 5.380 1.272 -11.739 204 2HG GLU 28 HG1 GLU 28 5.647 3.014 -11.673 205 NH1 ARG 29 NH2 ARG 29 -0.985 2.114 -8.301 206 NH2 ARG 29 NH1 ARG 29 0.300 1.975 -10.154 207 H ARG 29 HN ARG 29 5.066 3.450 -6.776 208 HA ARG 29 HA ARG 29 2.860 5.181 -7.577 209 1HB ARG 29 HB2 ARG 29 3.506 4.223 -4.788 210 2HB ARG 29 HB1 ARG 29 1.950 4.791 -5.396 211 1HG ARG 29 HG2 ARG 29 3.224 2.502 -6.811 212 2HG ARG 29 HG1 ARG 29 2.517 2.183 -5.227 213 1HD ARG 29 HD2 ARG 29 0.515 2.042 -6.259 214 2HD ARG 29 HD1 ARG 29 0.629 3.774 -6.558 215 HE ARG 29 HE ARG 29 2.104 2.639 -8.617 216 1HH1 ARG 29 HH21 ARG 29 -1.079 2.298 -7.323 217 2HH1 ARG 29 HH22 ARG 29 -1.785 1.851 -8.840 218 1HH2 ARG 29 HH11 ARG 29 1.193 2.052 -10.597 219 2HH2 ARG 29 HH12 ARG 29 -0.503 1.713 -10.689 220 H LYS 30 HN LYS 30 6.004 5.670 -6.616 221 HA LYS 30 HA LYS 30 6.984 7.879 -6.482 222 1HB LYS 30 HB2 LYS 30 5.795 9.789 -5.902 223 2HB LYS 30 HB1 LYS 30 4.516 8.810 -6.610 224 1HG LYS 30 HG2 LYS 30 3.396 9.157 -4.672 225 2HG LYS 30 HG1 LYS 30 4.513 7.999 -3.955 226 1HD LYS 30 HD2 LYS 30 4.395 10.145 -2.681 227 2HD LYS 30 HD1 LYS 30 6.016 9.800 -3.282 228 1HE LYS 30 HE2 LYS 30 6.016 11.753 -4.398 229 2HE LYS 30 HE1 LYS 30 4.606 11.228 -5.319 230 1HZ LYS 30 HZ3 LYS 30 3.269 11.916 -3.311 231 2HZ LYS 30 HZ2 LYS 30 4.670 12.695 -2.749 232 3HZ LYS 30 HZ1 LYS 30 3.958 13.174 -4.215 233 H ALA 31 HN ALA 31 5.944 5.625 -4.300 234 HA ALA 31 HA ALA 31 6.730 6.880 -1.829 235 1HB ALA 31 HB1 ALA 31 5.638 4.396 -2.608 236 2HB ALA 31 HB3 ALA 31 7.147 4.033 -1.768 237 3HB ALA 31 HB2 ALA 31 5.900 4.991 -0.968 238 H ASP 32 HN ASP 32 8.684 6.647 -0.688 239 HA ASP 32 HA ASP 32 11.033 6.380 -2.370 240 1HB ASP 32 HB2 ASP 32 10.445 8.008 -0.319 241 2HB ASP 32 HB1 ASP 32 11.242 6.719 0.566 242 H LYS 33 HN LYS 33 9.660 4.821 0.512 243 HA LYS 33 HA LYS 33 11.194 2.360 -0.197 244 1HB LYS 33 HB2 LYS 33 12.538 3.427 1.504 245 2HB LYS 33 HB1 LYS 33 11.122 3.718 2.511 246 1HG LYS 33 HG2 LYS 33 10.940 1.026 2.212 247 2HG LYS 33 HG1 LYS 33 12.689 1.232 2.124 248 1HD LYS 33 HD2 LYS 33 11.579 2.880 4.230 249 2HD LYS 33 HD1 LYS 33 11.117 1.192 4.454 250 1HE LYS 33 HE2 LYS 33 13.315 1.778 5.527 251 2HE LYS 33 HE1 LYS 33 13.435 0.482 4.336 252 1HZ LYS 33 HZ1 LYS 33 13.739 2.842 2.936 253 2HZ LYS 33 HZ3 LYS 33 14.681 3.026 4.334 254 3HZ LYS 33 HZ2 LYS 33 14.947 1.704 3.301 255 H GLY 34 HN GLY 34 10.099 0.418 0.353 256 1HA GLY 34 HA2 GLY 34 7.745 0.457 2.061 257 2HA GLY 34 HA1 GLY 34 7.330 0.338 0.355 258 OH TYR 35 OH TYR 35 6.148 -1.791 7.960 259 H TYR 35 HN TYR 35 7.160 -1.636 2.677 260 HA TYR 35 HA TYR 35 8.531 -3.879 1.255 261 1HB TYR 35 HB2 TYR 35 8.869 -4.966 3.470 262 2HB TYR 35 HB1 TYR 35 9.776 -3.472 3.304 263 HD1 TYR 35 HD1 TYR 35 9.077 -1.423 4.488 264 HD2 TYR 35 HD2 TYR 35 6.950 -5.125 4.960 265 HE1 TYR 35 HE1 TYR 35 7.928 -0.512 6.482 266 HE2 TYR 35 HE2 TYR 35 5.801 -4.212 6.956 267 HH TYR 35 HH TYR 35 5.890 -2.527 8.520 268 H CYS 36 HN CYS 36 7.576 -6.007 2.351 269 HA CYS 36 HA CYS 36 4.655 -5.840 1.922 270 1HB CYS 36 HB2 CYS 36 5.749 -7.463 0.598 271 2HB CYS 36 HB1 CYS 36 6.680 -8.068 1.958 272 OH TYR 37 OH TYR 37 1.827 -5.516 11.798 273 H TYR 37 HN TYR 37 3.559 -5.396 3.746 274 HA TYR 37 HA TYR 37 4.447 -6.423 6.352 275 1HB TYR 37 HB2 TYR 37 3.352 -4.156 6.013 276 2HB TYR 37 HB1 TYR 37 1.848 -5.009 5.674 277 HD1 TYR 37 HD1 TYR 37 4.586 -4.846 8.232 278 HD2 TYR 37 HD2 TYR 37 0.420 -5.547 7.460 279 HE1 TYR 37 HE1 TYR 37 4.171 -5.041 10.668 280 HE2 TYR 37 HE2 TYR 37 0.002 -5.745 9.898 281 HH TYR 37 HH TYR 37 2.158 -4.721 12.222 282 CH2 TRP 38 CH2 TRP 38 2.614 -15.495 3.429 283 H TRP 38 HN TRP 38 4.240 -8.642 6.307 284 HA TRP 38 HA TRP 38 2.173 -10.102 5.048 285 1HB TRP 38 HB2 TRP 38 4.322 -10.673 6.960 286 2HB TRP 38 HB1 TRP 38 2.919 -11.713 7.168 287 HD1 TRP 38 HD1 TRP 38 5.434 -10.644 4.468 288 HE1 TRP 38 HE1 TRP 38 5.517 -12.495 2.672 289 HE3 TRP 38 HE3 TRP 38 1.714 -13.686 6.176 290 HZ2 TRP 38 HZ2 TRP 38 4.172 -14.947 2.046 291 HZ3 TRP 38 HZ3 TRP 38 1.132 -15.769 4.968 292 HH2 TRP 38 HH2 TRP 38 2.355 -16.404 2.906 293 H GLY 39 HN GLY 39 2.086 -10.988 8.383 294 1HA GLY 39 HA2 GLY 39 0.178 -11.153 9.757 295 2HA GLY 39 HA1 GLY 39 0.153 -9.399 9.547 296 H LYS 40 HN LYS 40 -0.196 -11.499 6.789 297 HA LYS 40 HA LYS 40 -1.955 -11.717 5.263 298 1HB LYS 40 HB2 LYS 40 -3.493 -11.686 7.876 299 2HB LYS 40 HB1 LYS 40 -4.213 -12.079 6.314 300 1HG LYS 40 HG2 LYS 40 -3.021 -14.070 6.109 301 2HG LYS 40 HG1 LYS 40 -1.733 -13.527 7.186 302 1HD LYS 40 HD2 LYS 40 -3.102 -13.818 9.124 303 2HD LYS 40 HD1 LYS 40 -4.557 -14.026 8.149 304 1HE LYS 40 HE2 LYS 40 -3.926 -16.173 7.434 305 2HE LYS 40 HE1 LYS 40 -2.226 -15.903 7.818 306 1HZ LYS 40 HZ3 LYS 40 -4.333 -15.945 9.895 307 2HZ LYS 40 HZ2 LYS 40 -3.516 -17.351 9.402 308 3HZ LYS 40 HZ1 LYS 40 -2.655 -16.066 10.103 309 H VAL 41 HN VAL 41 -1.072 -9.216 5.153 310 HA VAL 41 HA VAL 41 -3.574 -7.604 5.155 311 HB VAL 41 HB VAL 41 -0.987 -6.191 5.675 312 1HG1 VAL 41 HG11 VAL 41 -3.906 -5.848 6.313 313 2HG1 VAL 41 HG13 VAL 41 -2.676 -4.939 7.190 314 3HG1 VAL 41 HG12 VAL 41 -2.833 -4.751 5.444 315 1HG2 VAL 41 HG22 VAL 41 -2.157 -8.225 7.421 316 2HG2 VAL 41 HG21 VAL 41 -0.588 -7.428 7.524 317 3HG2 VAL 41 HG23 VAL 41 -2.021 -6.650 8.196 318 H SER 42 HN SER 42 -0.350 -6.457 4.088 319 HA SER 42 HA SER 42 -0.741 -7.113 1.309 320 1HB SER 42 HB2 SER 42 -1.105 -4.263 1.287 321 2HB SER 42 HB1 SER 42 -2.149 -5.507 0.601 322 HG SER 42 HG SER 42 -2.696 -3.977 2.612 323 H CYS 43 HN CYS 43 0.357 -4.838 0.162 324 HA CYS 43 HA CYS 43 3.152 -5.049 0.943 325 1HB CYS 43 HB2 CYS 43 1.602 -3.957 -1.278 326 2HB CYS 43 HB1 CYS 43 2.845 -2.828 -0.757 327 OH TYR 44 OH TYR 44 1.712 2.101 7.520 328 H TYR 44 HN TYR 44 4.229 -2.623 0.984 329 HA TYR 44 HA TYR 44 2.573 -0.743 2.507 330 1HB TYR 44 HB2 TYR 44 3.651 -2.586 4.085 331 2HB TYR 44 HB1 TYR 44 5.075 -1.556 3.921 332 HD1 TYR 44 HD1 TYR 44 4.788 0.975 4.358 333 HD2 TYR 44 HD2 TYR 44 1.897 -1.977 5.513 334 HE1 TYR 44 HE1 TYR 44 3.790 2.579 5.954 335 HE2 TYR 44 HE2 TYR 44 0.888 -0.374 7.095 336 HH TYR 44 HH TYR 44 0.965 1.671 7.941 337 H CYS 45 HN CYS 45 3.140 1.213 1.736 338 HA CYS 45 HA CYS 45 5.937 1.524 0.734 339 1HB CYS 45 HB2 CYS 45 3.483 3.173 0.096 340 2HB CYS 45 HB1 CYS 45 5.079 3.401 -0.590 341 OH TYR 46 OH TYR 46 6.389 0.574 7.354 342 H TYR 46 HN TYR 46 6.722 3.843 0.940 343 HA TYR 46 HA TYR 46 5.784 5.213 3.395 344 1HB TYR 46 HB2 TYR 46 8.599 4.195 2.914 345 2HB TYR 46 HB1 TYR 46 8.225 5.443 4.098 346 HD1 TYR 46 HD1 TYR 46 7.456 1.924 3.129 347 HD2 TYR 46 HD2 TYR 46 7.381 4.877 6.233 348 HE1 TYR 46 HE1 TYR 46 6.831 0.177 4.775 349 HE2 TYR 46 HE2 TYR 46 6.739 3.142 7.883 350 HH TYR 46 HH TYR 46 5.576 0.850 7.784 351 H GLY 47 HN GLY 47 5.213 7.089 2.320 352 1HA GLY 47 HA2 GLY 47 6.464 9.262 1.717 353 2HA GLY 47 HA1 GLY 47 7.240 8.282 0.477 354 H LEU 48 HN LEU 48 3.976 7.403 1.028 355 HA LEU 48 HA LEU 48 3.205 8.210 -1.636 356 1HB LEU 48 HB2 LEU 48 1.433 7.373 0.683 357 2HB LEU 48 HB1 LEU 48 0.995 7.365 -1.027 358 HG LEU 48 HG LEU 48 3.193 5.706 0.250 359 1HD1 LEU 48 HD13 LEU 48 0.447 5.277 0.220 360 2HD1 LEU 48 HD12 LEU 48 1.024 4.346 -1.162 361 3HD1 LEU 48 HD11 LEU 48 1.682 4.037 0.444 362 1HD2 LEU 48 HD21 LEU 48 2.164 5.826 -2.605 363 2HD2 LEU 48 HD23 LEU 48 3.741 6.391 -2.053 364 3HD2 LEU 48 HD22 LEU 48 3.351 4.671 -1.999 365 HA PRO 49 HA PRO 49 1.883 12.336 -1.063 366 1HB PRO 49 HB2 PRO 49 -0.661 11.946 -2.389 367 2HB PRO 49 HB1 PRO 49 0.794 12.727 -3.019 368 1HG PRO 49 HG2 PRO 49 -0.256 10.168 -3.767 369 2HG PRO 49 HG1 PRO 49 1.253 10.910 -4.317 370 1HD PRO 49 HD2 PRO 49 0.924 8.679 -2.504 371 2HD PRO 49 HD1 PRO 49 2.436 9.395 -3.095 372 H ASP 50 HN ASP 50 0.371 13.586 0.234 373 HA ASP 50 HA ASP 50 -0.703 12.317 2.481 374 1HB ASP 50 HB2 ASP 50 -0.780 14.979 1.304 375 2HB ASP 50 HB1 ASP 50 -2.250 14.578 2.177 376 H ASN 51 HN ASN 51 -2.451 13.566 -0.318 377 HA ASN 51 HA ASN 51 -4.945 12.436 0.436 378 1HB ASN 51 HB2 ASN 51 -5.495 12.906 -2.004 379 2HB ASN 51 HB1 ASN 51 -4.992 14.293 -1.053 380 1HD2 ASN 51 HD22 ASN 51 -2.947 14.607 -4.058 381 2HD2 ASN 51 HD21 ASN 51 -4.530 14.920 -3.531 382 H SER 52 HN SER 52 -2.138 11.062 -0.814 383 HA SER 52 HA SER 52 -2.783 9.112 -2.629 384 1HB SER 52 HB2 SER 52 -0.575 9.401 -1.409 385 2HB SER 52 HB1 SER 52 -1.274 8.470 -0.085 386 HG SER 52 HG SER 52 -1.498 7.441 -2.667 387 HA PRO 53 HA PRO 53 -6.353 7.297 -0.562 388 1HB PRO 53 HB2 PRO 53 -6.521 5.463 -2.787 389 2HB PRO 53 HB1 PRO 53 -7.589 6.820 -2.402 390 1HG PRO 53 HG2 PRO 53 -5.662 6.674 -4.527 391 2HG PRO 53 HG1 PRO 53 -6.678 8.053 -4.088 392 1HD PRO 53 HD2 PRO 53 -3.831 7.748 -3.690 393 2HD PRO 53 HD1 PRO 53 -4.848 9.147 -3.293 394 H THR 54 HN THR 54 -5.676 6.012 1.109 395 HA THR 54 HA THR 54 -4.479 3.368 0.417 396 HB THR 54 HB THR 54 -2.875 3.531 2.182 397 HG1 THR 54 HG1 THR 54 -3.210 4.740 3.853 398 1HG2 THR 54 HG23 THR 54 -2.935 5.414 0.086 399 2HG2 THR 54 HG22 THR 54 -2.435 6.310 1.520 400 3HG2 THR 54 HG21 THR 54 -1.525 4.890 1.005 401 H LYS 55 HN LYS 55 -4.932 1.729 2.153 402 HA LYS 55 HA LYS 55 -7.584 1.609 2.951 403 1HB LYS 55 HB2 LYS 55 -6.448 -0.410 3.262 404 2HB LYS 55 HB1 LYS 55 -5.069 0.365 4.034 405 1HG LYS 55 HG2 LYS 55 -6.421 -0.940 5.658 406 2HG LYS 55 HG1 LYS 55 -6.407 0.779 6.055 407 1HD LYS 55 HD2 LYS 55 -8.691 -0.160 6.220 408 2HD LYS 55 HD1 LYS 55 -8.587 1.065 4.955 409 1HE LYS 55 HE2 LYS 55 -7.893 -1.468 3.814 410 2HE LYS 55 HE1 LYS 55 -9.412 -1.648 4.690 411 1HZ LYS 55 HZ2 LYS 55 -9.494 0.784 3.327 412 2HZ LYS 55 HZ1 LYS 55 -8.963 -0.393 2.221 413 3HZ LYS 55 HZ3 LYS 55 -10.429 -0.602 3.044 414 H THR 56 HN THR 56 -8.737 2.966 4.291 415 HA THR 56 HA THR 56 -7.638 3.813 6.843 416 HB THR 56 HB THR 56 -7.758 5.710 4.523 417 HG1 THR 56 HG1 THR 56 -5.698 5.872 4.942 418 1HG2 THR 56 HG22 THR 56 -8.214 6.268 7.430 419 2HG2 THR 56 HG21 THR 56 -7.322 7.443 6.463 420 3HG2 THR 56 HG23 THR 56 -8.972 7.004 6.018 421 H SER 57 HN SER 57 -9.922 5.161 4.521 422 HA SER 57 HA SER 57 -11.887 5.614 6.578 423 1HB SER 57 HB2 SER 57 -13.020 6.873 5.013 424 2HB SER 57 HB1 SER 57 -11.407 6.901 4.307 425 HG SER 57 HG SER 57 -13.197 6.266 2.883 426 H GLY 58 HN GLY 58 -11.396 2.873 6.541 427 1HA GLY 58 HA2 GLY 58 -13.294 1.296 6.940 428 2HA GLY 58 HA1 GLY 58 -13.965 1.855 5.408 429 H LYS 59 HN LYS 59 -13.930 -0.565 5.049 430 HA LYS 59 HA LYS 59 -11.254 -1.631 4.332 431 1HB LYS 59 HB2 LYS 59 -12.425 -3.779 4.110 432 2HB LYS 59 HB1 LYS 59 -12.809 -3.040 5.663 433 1HG LYS 59 HG2 LYS 59 -14.998 -3.040 5.147 434 2HG LYS 59 HG1 LYS 59 -14.667 -2.060 3.718 435 1HD LYS 59 HD2 LYS 59 -15.206 -3.829 2.444 436 2HD LYS 59 HD1 LYS 59 -13.792 -4.667 3.086 437 1HE LYS 59 HE2 LYS 59 -15.026 -5.836 4.656 438 2HE LYS 59 HE1 LYS 59 -16.267 -4.587 4.761 439 1HZ LYS 59 HZ1 LYS 59 -16.485 -5.373 2.208 440 2HZ LYS 59 HZ3 LYS 59 -16.056 -6.833 2.957 441 3HZ LYS 59 HZ2 LYS 59 -17.430 -5.981 3.480 442 H CYS 60 HN CYS 60 -12.537 -3.441 2.311 443 HA CYS 60 HA CYS 60 -12.704 -1.439 0.101 444 1HB CYS 60 HB2 CYS 60 -10.882 -3.355 0.275 445 2HB CYS 60 HB1 CYS 60 -12.179 -4.350 -0.384 446 H ASN 61 HN ASN 61 -14.838 -1.095 -0.387 447 HA ASN 61 HA ASN 61 -16.892 -3.081 0.040 448 1HB ASN 61 HB2 ASN 61 -17.265 -0.723 -1.769 449 2HB ASN 61 HB1 ASN 61 -18.357 -1.401 -0.573 450 1HD2 ASN 61 HD22 ASN 61 -16.309 1.753 0.549 451 2HD2 ASN 61 HD21 ASN 61 -16.763 1.368 -1.040 452 HA PRO 62 HA PRO 62 -16.600 -5.298 -3.745 453 1HB PRO 62 HB2 PRO 62 -19.422 -5.726 -3.943 454 2HB PRO 62 HB1 PRO 62 -18.208 -6.834 -3.291 455 1HG PRO 62 HG2 PRO 62 -20.204 -5.337 -1.830 456 2HG PRO 62 HG1 PRO 62 -19.012 -6.477 -1.189 457 1HD PRO 62 HD2 PRO 62 -19.013 -3.598 -0.960 458 2HD PRO 62 HD1 PRO 62 -17.827 -4.745 -0.303 459 H ALA 63 HN ALA 63 -16.077 -3.655 -5.272 460 HA ALA 63 HA ALA 63 -18.334 -2.748 -6.937 461 1HB ALA 63 HB1 ALA 63 -17.762 -1.022 -5.034 462 2HB ALA 63 HB3 ALA 63 -16.379 -0.642 -6.061 463 3HB ALA 63 HB2 ALA 63 -18.018 -0.449 -6.681 Start of MODEL 20 Raw file had 463 H/Q atoms Start of MODEL 20 1 1H LYS 1 HT3 LYS 1 3.755 14.477 2.974 2 2H LYS 1 HT2 LYS 1 3.230 14.640 1.367 3 3H LYS 1 HT1 LYS 1 2.170 14.042 2.554 4 HA LYS 1 HA LYS 1 2.949 12.216 1.227 5 1HB LYS 1 HB2 LYS 1 5.466 11.732 1.398 6 2HB LYS 1 HB1 LYS 1 4.995 13.062 0.340 7 1HG LYS 1 HG2 LYS 1 5.714 14.696 1.857 8 2HG LYS 1 HG1 LYS 1 5.637 13.593 3.232 9 1HD LYS 1 HD2 LYS 1 7.533 12.305 2.282 10 2HD LYS 1 HD1 LYS 1 7.635 13.462 0.956 11 1HE LYS 1 HE2 LYS 1 7.926 14.172 3.889 12 2HE LYS 1 HE1 LYS 1 9.268 13.961 2.765 13 1HZ LYS 1 HZ3 LYS 1 7.428 15.692 1.584 14 2HZ LYS 1 HZ2 LYS 1 7.678 16.235 3.175 15 3HZ LYS 1 HZ1 LYS 1 8.997 16.045 2.120 16 H LYS 2 HN LYS 2 3.290 10.154 2.286 17 HA LYS 2 HA LYS 2 4.314 9.984 4.976 18 1HB LYS 2 HB2 LYS 2 2.379 9.879 6.278 19 2HB LYS 2 HB1 LYS 2 1.978 11.166 5.145 20 1HG LYS 2 HG2 LYS 2 1.199 8.255 4.780 21 2HG LYS 2 HG1 LYS 2 0.131 9.502 5.421 22 1HD LYS 2 HD2 LYS 2 1.234 10.539 3.023 23 2HD LYS 2 HD1 LYS 2 0.717 8.888 2.672 24 1HE LYS 2 HE2 LYS 2 -1.275 10.155 4.306 25 2HE LYS 2 HE1 LYS 2 -0.916 11.201 2.934 26 1HZ LYS 2 HZ3 LYS 2 -1.092 9.055 1.576 27 2HZ LYS 2 HZ2 LYS 2 -1.895 8.419 2.932 28 3HZ LYS 2 HZ1 LYS 2 -2.527 9.772 2.124 29 H ASP 3 HN ASP 3 4.188 7.773 5.821 30 HA ASP 3 HA ASP 3 4.087 5.778 3.659 31 1HB ASP 3 HB2 ASP 3 4.458 5.049 6.534 32 2HB ASP 3 HB1 ASP 3 5.277 4.414 5.109 33 H GLY 4 HN GLY 4 2.842 3.638 4.289 34 1HA GLY 4 HA2 GLY 4 0.856 3.297 6.111 35 2HA GLY 4 HA1 GLY 4 0.116 4.478 5.040 36 OH TYR 5 OH TYR 5 0.234 -4.002 6.664 37 H TYR 5 HN TYR 5 -1.470 2.765 4.691 38 HA TYR 5 HA TYR 5 -0.540 0.589 2.879 39 1HB TYR 5 HB2 TYR 5 -2.859 0.927 4.743 40 2HB TYR 5 HB1 TYR 5 -3.092 -0.079 3.319 41 HD1 TYR 5 HD1 TYR 5 -0.148 -1.095 3.185 42 HD2 TYR 5 HD2 TYR 5 -3.012 -0.818 6.376 43 HE1 TYR 5 HE1 TYR 5 0.972 -2.963 4.353 44 HE2 TYR 5 HE2 TYR 5 -1.893 -2.701 7.539 45 HH TYR 5 HH TYR 5 1.144 -4.040 6.359 46 HA PRO 6 HA PRO 6 -2.191 3.711 -0.054 47 1HB PRO 6 HB2 PRO 6 -1.022 2.038 -2.095 48 2HB PRO 6 HB1 PRO 6 -0.525 3.658 -1.585 49 1HG PRO 6 HG2 PRO 6 0.770 1.128 -1.005 50 2HG PRO 6 HG1 PRO 6 1.311 2.757 -0.580 51 1HD PRO 6 HD2 PRO 6 0.314 0.791 1.213 52 2HD PRO 6 HD1 PRO 6 0.630 2.496 1.573 53 H VAL 7 HN VAL 7 -4.349 3.370 -0.327 54 HA VAL 7 HA VAL 7 -5.221 0.735 -1.444 55 HB VAL 7 HB VAL 7 -7.460 1.287 -0.563 56 1HG1 VAL 7 HG12 VAL 7 -5.229 0.432 0.847 57 2HG1 VAL 7 HG11 VAL 7 -5.912 1.685 1.873 58 3HG1 VAL 7 HG13 VAL 7 -6.902 0.313 1.395 59 1HG2 VAL 7 HG23 VAL 7 -6.122 3.863 -0.098 60 2HG2 VAL 7 HG22 VAL 7 -7.841 3.503 -0.249 61 3HG2 VAL 7 HG21 VAL 7 -7.026 3.284 1.301 62 H ASP 8 HN ASP 8 -6.459 0.748 -3.352 63 HA ASP 8 HA ASP 8 -6.234 3.091 -5.036 64 1HB ASP 8 HB2 ASP 8 -7.689 1.797 -6.607 65 2HB ASP 8 HB1 ASP 8 -6.313 0.857 -6.033 66 H SER 9 HN SER 9 -8.844 3.195 -6.222 67 HA SER 9 HA SER 9 -10.134 5.018 -4.389 68 1HB SER 9 HB2 SER 9 -11.782 5.309 -6.106 69 2HB SER 9 HB1 SER 9 -10.240 5.109 -6.932 70 HG SER 9 HG SER 9 -11.064 2.706 -6.682 71 H GLY 10 HN GLY 10 -10.188 1.632 -4.671 72 1HA GLY 10 HA2 GLY 10 -12.919 1.387 -3.555 73 2HA GLY 10 HA1 GLY 10 -11.879 0.046 -4.039 74 H ASN 11 HN ASN 11 -9.986 2.161 -2.307 75 HA ASN 11 HA ASN 11 -9.161 2.131 -0.120 76 1HB ASN 11 HB2 ASN 11 -11.948 2.009 0.158 77 2HB ASN 11 HB1 ASN 11 -11.343 0.691 1.163 78 1HD2 ASN 11 HD22 ASN 11 -11.000 3.290 3.602 79 2HD2 ASN 11 HD21 ASN 11 -11.994 2.013 3.089 80 H CYS 12 HN CYS 12 -8.709 0.030 -1.978 81 HA CYS 12 HA CYS 12 -8.499 -2.359 -0.224 82 1HB CYS 12 HB2 CYS 12 -8.267 -2.085 -3.235 83 2HB CYS 12 HB1 CYS 12 -8.194 -3.590 -2.331 84 H LYS 13 HN LYS 13 -6.510 -2.689 0.621 85 HA LYS 13 HA LYS 13 -4.219 -1.118 -0.186 86 1HB LYS 13 HB2 LYS 13 -4.840 -2.343 2.106 87 2HB LYS 13 HB1 LYS 13 -3.883 -3.638 1.384 88 1HG LYS 13 HG2 LYS 13 -2.931 -0.774 1.614 89 2HG LYS 13 HG1 LYS 13 -2.541 -2.032 2.787 90 1HD LYS 13 HD2 LYS 13 -0.831 -2.670 1.478 91 2HD LYS 13 HD1 LYS 13 -1.980 -3.108 0.220 92 1HE LYS 13 HE2 LYS 13 -1.870 -0.927 -0.755 93 2HE LYS 13 HE1 LYS 13 -1.013 -0.277 0.633 94 1HZ LYS 13 HZ1 LYS 13 0.289 -2.529 -0.597 95 2HZ LYS 13 HZ3 LYS 13 0.149 -1.187 -1.624 96 3HZ LYS 13 HZ2 LYS 13 0.930 -1.030 -0.123 97 OH TYR 14 OH TYR 14 -3.632 2.178 -5.892 98 H TYR 14 HN TYR 14 -3.025 -1.537 -1.989 99 HA TYR 14 HA TYR 14 -3.260 -3.702 -3.717 100 1HB TYR 14 HB2 TYR 14 -0.626 -2.351 -3.043 101 2HB TYR 14 HB1 TYR 14 -1.022 -3.200 -4.537 102 HD1 TYR 14 HD2 TYR 14 -2.547 -2.236 -6.185 103 HD2 TYR 14 HD1 TYR 14 -1.597 -0.154 -2.547 104 HE1 TYR 14 HE2 TYR 14 -3.509 -0.153 -7.124 105 HE2 TYR 14 HE1 TYR 14 -2.558 1.926 -3.490 106 HH TYR 14 HH TYR 14 -3.813 2.027 -6.823 107 H GLU 15 HN GLU 15 -2.485 -5.805 -3.787 108 HA GLU 15 HA GLU 15 -1.518 -6.896 -1.226 109 1HB GLU 15 HB2 GLU 15 -1.965 -9.065 -2.222 110 2HB GLU 15 HB1 GLU 15 -3.342 -8.000 -2.497 111 1HG GLU 15 HG2 GLU 15 -1.734 -7.505 -4.693 112 2HG GLU 15 HG1 GLU 15 -1.532 -9.239 -4.439 113 H CYS 16 HN CYS 16 0.255 -8.598 -1.330 114 HA CYS 16 HA CYS 16 2.192 -8.349 -3.503 115 1HB CYS 16 HB2 CYS 16 3.995 -7.441 -2.070 116 2HB CYS 16 HB1 CYS 16 2.656 -6.311 -2.262 117 H LEU 17 HN LEU 17 4.201 -9.633 -2.973 118 HA LEU 17 HA LEU 17 3.691 -11.783 -0.971 119 1HB LEU 17 HB2 LEU 17 4.562 -12.210 -3.846 120 2HB LEU 17 HB1 LEU 17 4.417 -13.474 -2.623 121 HG LEU 17 HG LEU 17 2.040 -11.746 -2.970 122 1HD1 LEU 17 HD11 LEU 17 3.312 -12.866 -5.262 123 2HD1 LEU 17 HD13 LEU 17 1.866 -13.823 -4.937 124 3HD1 LEU 17 HD12 LEU 17 1.736 -12.080 -5.171 125 1HD2 LEU 17 HD22 LEU 17 2.298 -13.810 -1.473 126 2HD2 LEU 17 HD21 LEU 17 0.880 -13.791 -2.522 127 3HD2 LEU 17 HD23 LEU 17 2.285 -14.764 -2.956 128 H LYS 18 HN LYS 18 5.961 -9.853 -2.820 129 HA LYS 18 HA LYS 18 8.157 -10.948 -1.113 130 1HB LYS 18 HB2 LYS 18 8.048 -10.319 -4.028 131 2HB LYS 18 HB1 LYS 18 9.552 -9.969 -3.174 132 1HG LYS 18 HG2 LYS 18 8.266 -12.612 -2.662 133 2HG LYS 18 HG1 LYS 18 9.065 -12.384 -4.218 134 1HD LYS 18 HD2 LYS 18 10.857 -11.286 -2.396 135 2HD LYS 18 HD1 LYS 18 10.242 -12.719 -1.568 136 1HE LYS 18 HE2 LYS 18 11.049 -12.913 -4.454 137 2HE LYS 18 HE1 LYS 18 12.290 -12.949 -3.202 138 1HZ LYS 18 HZ2 LYS 18 9.967 -14.648 -2.774 139 2HZ LYS 18 HZ1 LYS 18 11.011 -15.112 -4.032 140 3HZ LYS 18 HZ3 LYS 18 11.606 -14.948 -2.452 141 H ASP 19 HN ASP 19 10.009 -9.288 -0.934 142 HA ASP 19 HA ASP 19 8.861 -6.780 0.024 143 1HB ASP 19 HB2 ASP 19 10.981 -8.207 0.850 144 2HB ASP 19 HB1 ASP 19 11.814 -7.102 -0.243 145 H ASP 20 HN ASP 20 10.541 -7.877 -2.840 146 HA ASP 20 HA ASP 20 11.315 -5.261 -3.796 147 1HB ASP 20 HB2 ASP 20 10.759 -6.930 -6.039 148 2HB ASP 20 HB1 ASP 20 12.329 -6.499 -5.375 149 OH TYR 21 OH TYR 21 0.909 -4.872 -6.275 150 H TYR 21 HN TYR 21 8.566 -7.395 -4.716 151 HA TYR 21 HA TYR 21 7.223 -5.631 -6.402 152 1HB TYR 21 HB2 TYR 21 6.283 -7.817 -6.034 153 2HB TYR 21 HB1 TYR 21 6.085 -7.503 -4.309 154 HD1 TYR 21 HD2 TYR 21 4.820 -6.723 -7.693 155 HD2 TYR 21 HD1 TYR 21 4.282 -6.105 -3.476 156 HE1 TYR 21 HE2 TYR 21 2.571 -5.770 -8.118 157 HE2 TYR 21 HE1 TYR 21 2.036 -5.151 -3.904 158 HH TYR 21 HH TYR 21 0.290 -5.601 -6.360 159 H CYS 22 HN CYS 22 7.608 -5.489 -2.923 160 HA CYS 22 HA CYS 22 5.660 -3.365 -2.537 161 1HB CYS 22 HB2 CYS 22 7.190 -5.037 -0.855 162 2HB CYS 22 HB1 CYS 22 7.657 -3.379 -0.501 163 H ASN 23 HN ASN 23 9.203 -3.475 -2.900 164 HA ASN 23 HA ASN 23 9.531 -0.630 -2.462 165 1HB ASN 23 HB2 ASN 23 11.345 -2.428 -2.361 166 2HB ASN 23 HB1 ASN 23 11.321 -2.457 -4.117 167 1HD2 ASN 23 HD22 ASN 23 13.796 0.090 -3.904 168 2HD2 ASN 23 HD21 ASN 23 13.484 -1.530 -4.305 169 H ASP 24 HN ASP 24 9.758 -2.548 -5.458 170 HA ASP 24 HA ASP 24 9.804 -0.433 -7.299 171 1HB ASP 24 HB2 ASP 24 9.958 -3.000 -7.657 172 2HB ASP 24 HB1 ASP 24 8.208 -2.934 -7.796 173 H LEU 25 HN LEU 25 6.888 -2.295 -6.429 174 HA LEU 25 HA LEU 25 4.942 -0.675 -7.591 175 1HB LEU 25 HB2 LEU 25 4.381 -2.796 -6.516 176 2HB LEU 25 HB1 LEU 25 4.847 -2.152 -4.944 177 HG LEU 25 HG LEU 25 2.985 -0.309 -5.919 178 1HD1 LEU 25 HD12 LEU 25 2.459 -3.055 -6.900 179 2HD1 LEU 25 HD11 LEU 25 1.099 -2.258 -6.109 180 3HD1 LEU 25 HD13 LEU 25 1.864 -1.510 -7.510 181 1HD2 LEU 25 HD22 LEU 25 3.121 -2.437 -3.839 182 2HD2 LEU 25 HD21 LEU 25 2.781 -0.715 -3.662 183 3HD2 LEU 25 HD23 LEU 25 1.515 -1.813 -4.214 184 H CYS 26 HN CYS 26 6.469 -0.327 -4.411 185 HA CYS 26 HA CYS 26 4.977 1.834 -3.460 186 1HB CYS 26 HB2 CYS 26 7.636 0.624 -2.939 187 2HB CYS 26 HB1 CYS 26 7.393 2.228 -2.307 188 H LEU 27 HN LEU 27 7.816 1.775 -5.558 189 HA LEU 27 HA LEU 27 8.257 4.598 -5.522 190 1HB LEU 27 HB2 LEU 27 9.149 2.326 -7.261 191 2HB LEU 27 HB1 LEU 27 9.408 3.979 -7.820 192 HG LEU 27 HG LEU 27 10.182 3.341 -5.009 193 1HD1 LEU 27 HD11 LEU 27 11.557 2.296 -7.482 194 2HD1 LEU 27 HD13 LEU 27 12.483 2.679 -6.032 195 3HD1 LEU 27 HD12 LEU 27 11.215 1.453 -5.970 196 1HD2 LEU 27 HD22 LEU 27 10.930 5.221 -7.207 197 2HD2 LEU 27 HD21 LEU 27 10.693 5.541 -5.489 198 3HD2 LEU 27 HD23 LEU 27 12.187 4.789 -6.046 199 H GLU 28 HN GLU 28 6.369 2.453 -7.621 200 HA GLU 28 HA GLU 28 5.725 4.280 -9.642 201 1HB GLU 28 HB2 GLU 28 4.163 1.994 -8.446 202 2HB GLU 28 HB1 GLU 28 3.549 2.930 -9.810 203 1HG GLU 28 HG2 GLU 28 6.220 2.314 -10.459 204 2HG GLU 28 HG1 GLU 28 5.537 0.827 -9.802 205 NH1 ARG 29 NH2 ARG 29 2.026 1.907 -3.700 206 NH2 ARG 29 NH1 ARG 29 0.618 0.186 -4.055 207 H ARG 29 HN ARG 29 4.262 3.790 -6.500 208 HA ARG 29 HA ARG 29 2.190 5.748 -6.898 209 1HB ARG 29 HB2 ARG 29 3.260 4.242 -4.559 210 2HB ARG 29 HB1 ARG 29 2.249 5.654 -4.255 211 1HG ARG 29 HG2 ARG 29 0.848 3.645 -4.357 212 2HG ARG 29 HG1 ARG 29 0.493 4.697 -5.727 213 1HD ARG 29 HD2 ARG 29 1.143 3.129 -7.200 214 2HD ARG 29 HD1 ARG 29 2.665 2.869 -6.354 215 HE ARG 29 HE ARG 29 0.490 1.079 -6.327 216 1HH1 ARG 29 HH21 ARG 29 2.534 2.691 -4.038 217 2HH1 ARG 29 HH22 ARG 29 2.139 1.613 -2.751 218 1HH2 ARG 29 HH11 ARG 29 0.039 -0.345 -4.671 219 2HH2 ARG 29 HH12 ARG 29 0.743 -0.108 -3.108 220 H LYS 30 HN LYS 30 5.466 5.843 -5.931 221 HA LYS 30 HA LYS 30 6.685 8.009 -6.198 222 1HB LYS 30 HB2 LYS 30 4.688 9.445 -6.240 223 2HB LYS 30 HB1 LYS 30 4.364 9.058 -4.549 224 1HG LYS 30 HG2 LYS 30 7.104 10.011 -5.023 225 2HG LYS 30 HG1 LYS 30 5.865 11.206 -5.408 226 1HD LYS 30 HD2 LYS 30 5.143 9.913 -2.952 227 2HD LYS 30 HD1 LYS 30 6.820 10.449 -2.832 228 1HE LYS 30 HE2 LYS 30 6.143 12.709 -3.584 229 2HE LYS 30 HE1 LYS 30 4.466 12.171 -3.665 230 1HZ LYS 30 HZ2 LYS 30 5.674 11.553 -1.153 231 2HZ LYS 30 HZ1 LYS 30 5.723 13.220 -1.480 232 3HZ LYS 30 HZ3 LYS 30 4.239 12.399 -1.483 233 H ALA 31 HN ALA 31 5.626 5.904 -3.867 234 HA ALA 31 HA ALA 31 6.817 7.032 -1.502 235 1HB ALA 31 HB1 ALA 31 5.137 5.175 -1.488 236 2HB ALA 31 HB3 ALA 31 6.375 4.105 -2.144 237 3HB ALA 31 HB2 ALA 31 6.582 4.814 -0.543 238 H ASP 32 HN ASP 32 8.842 6.618 -0.607 239 HA ASP 32 HA ASP 32 10.995 6.202 -2.452 240 1HB ASP 32 HB2 ASP 32 10.792 7.537 -0.152 241 2HB ASP 32 HB1 ASP 32 11.405 6.021 0.485 242 H LYS 33 HN LYS 33 9.610 4.340 0.251 243 HA LYS 33 HA LYS 33 10.496 1.848 -1.058 244 1HB LYS 33 HB2 LYS 33 11.854 1.059 0.809 245 2HB LYS 33 HB1 LYS 33 12.512 2.584 0.212 246 1HG LYS 33 HG2 LYS 33 10.514 2.518 2.470 247 2HG LYS 33 HG1 LYS 33 12.241 2.326 2.771 248 1HD LYS 33 HD2 LYS 33 12.503 4.473 1.328 249 2HD LYS 33 HD1 LYS 33 10.783 4.705 1.640 250 1HE LYS 33 HE2 LYS 33 11.697 4.113 4.146 251 2HE LYS 33 HE1 LYS 33 13.077 4.981 3.472 252 1HZ LYS 33 HZ2 LYS 33 10.457 6.127 2.951 253 2HZ LYS 33 HZ1 LYS 33 10.990 6.198 4.563 254 3HZ LYS 33 HZ3 LYS 33 11.925 6.894 3.330 255 H GLY 34 HN GLY 34 9.781 -0.094 0.226 256 1HA GLY 34 HA2 GLY 34 7.894 0.240 2.392 257 2HA GLY 34 HA1 GLY 34 7.069 -0.039 0.865 258 OH TYR 35 OH TYR 35 5.990 -1.264 8.215 259 H TYR 35 HN TYR 35 7.154 -1.853 3.192 260 HA TYR 35 HA TYR 35 8.603 -4.123 1.892 261 1HB TYR 35 HB2 TYR 35 8.357 -5.223 4.198 262 2HB TYR 35 HB1 TYR 35 9.570 -3.976 4.015 263 HD1 TYR 35 HD1 TYR 35 5.929 -4.300 4.821 264 HD2 TYR 35 HD2 TYR 35 9.633 -2.299 5.671 265 HE1 TYR 35 HE1 TYR 35 4.826 -3.043 6.648 266 HE2 TYR 35 HE2 TYR 35 8.530 -1.035 7.501 267 HH TYR 35 HH TYR 35 6.203 -1.702 9.043 268 H CYS 36 HN CYS 36 7.520 -6.114 1.869 269 HA CYS 36 HA CYS 36 4.627 -5.791 1.511 270 1HB CYS 36 HB2 CYS 36 5.897 -7.163 -0.063 271 2HB CYS 36 HB1 CYS 36 6.394 -8.243 1.242 272 OH TYR 37 OH TYR 37 1.801 -6.943 11.325 273 H TYR 37 HN TYR 37 3.616 -5.553 3.465 274 HA TYR 37 HA TYR 37 4.365 -7.017 5.830 275 1HB TYR 37 HB2 TYR 37 3.105 -4.803 5.727 276 2HB TYR 37 HB1 TYR 37 1.675 -5.739 5.303 277 HD1 TYR 37 HD1 TYR 37 4.345 -5.374 7.878 278 HD2 TYR 37 HD2 TYR 37 0.417 -6.861 6.983 279 HE1 TYR 37 HE1 TYR 37 3.990 -5.881 10.281 280 HE2 TYR 37 HE2 TYR 37 0.059 -7.369 9.384 281 HH TYR 37 HH TYR 37 2.185 -6.232 11.842 282 CH2 TRP 38 CH2 TRP 38 3.416 -15.981 2.031 283 H TRP 38 HN TRP 38 4.347 -9.194 5.487 284 HA TRP 38 HA TRP 38 2.412 -10.682 4.041 285 1HB TRP 38 HB2 TRP 38 4.700 -11.190 5.768 286 2HB TRP 38 HB1 TRP 38 3.445 -12.393 6.011 287 HD1 TRP 38 HD1 TRP 38 5.488 -10.790 3.177 288 HE1 TRP 38 HE1 TRP 38 5.675 -12.483 1.246 289 HE3 TRP 38 HE3 TRP 38 2.523 -14.539 4.991 290 HZ2 TRP 38 HZ2 TRP 38 4.703 -15.081 0.557 291 HZ3 TRP 38 HZ3 TRP 38 2.175 -16.611 3.675 292 HH2 TRP 38 HH2 TRP 38 3.260 -16.886 1.463 293 H GLY 39 HN GLY 39 1.854 -12.661 6.303 294 1HA GLY 39 HA2 GLY 39 0.218 -12.987 7.964 295 2HA GLY 39 HA1 GLY 39 0.149 -11.233 8.171 296 H LYS 40 HN LYS 40 -0.126 -12.420 4.960 297 HA LYS 40 HA LYS 40 -1.930 -12.444 3.462 298 1HB LYS 40 HB2 LYS 40 -2.943 -13.525 5.961 299 2HB LYS 40 HB1 LYS 40 -4.199 -12.624 5.114 300 1HG LYS 40 HG2 LYS 40 -2.484 -14.523 3.551 301 2HG LYS 40 HG1 LYS 40 -3.783 -15.173 4.553 302 1HD LYS 40 HD2 LYS 40 -5.345 -13.526 3.424 303 2HD LYS 40 HD1 LYS 40 -4.033 -13.164 2.303 304 1HE LYS 40 HE2 LYS 40 -5.297 -14.840 1.204 305 2HE LYS 40 HE1 LYS 40 -3.924 -15.706 1.892 306 1HZ LYS 40 HZ1 LYS 40 -6.360 -15.419 3.498 307 2HZ LYS 40 HZ3 LYS 40 -6.348 -16.559 2.242 308 3HZ LYS 40 HZ2 LYS 40 -5.207 -16.667 3.496 309 H VAL 41 HN VAL 41 -0.981 -9.941 4.857 310 HA VAL 41 HA VAL 41 -3.526 -8.408 4.884 311 HB VAL 41 HB VAL 41 -0.798 -7.381 5.684 312 1HG1 VAL 41 HG13 VAL 41 -3.074 -6.003 5.205 313 2HG1 VAL 41 HG12 VAL 41 -3.365 -6.468 6.881 314 3HG1 VAL 41 HG11 VAL 41 -1.929 -5.534 6.463 315 1HG2 VAL 41 HG22 VAL 41 -2.678 -9.208 7.053 316 2HG2 VAL 41 HG21 VAL 41 -0.955 -8.954 7.329 317 3HG2 VAL 41 HG23 VAL 41 -2.134 -7.836 8.017 318 H SER 42 HN SER 42 -0.430 -6.875 4.022 319 HA SER 42 HA SER 42 -0.922 -6.952 1.171 320 1HB SER 42 HB2 SER 42 -1.420 -4.218 2.234 321 2HB SER 42 HB1 SER 42 -2.012 -4.968 0.757 322 HG SER 42 HG SER 42 -3.233 -4.730 3.090 323 H CYS 43 HN CYS 43 0.103 -4.547 0.376 324 HA CYS 43 HA CYS 43 2.927 -4.764 1.222 325 1HB CYS 43 HB2 CYS 43 1.558 -4.058 -1.188 326 2HB CYS 43 HB1 CYS 43 2.489 -2.655 -0.674 327 OH TYR 44 OH TYR 44 2.645 3.155 7.618 328 H TYR 44 HN TYR 44 4.100 -2.862 1.967 329 HA TYR 44 HA TYR 44 2.335 -0.661 2.949 330 1HB TYR 44 HB2 TYR 44 3.050 -2.265 4.785 331 2HB TYR 44 HB1 TYR 44 4.705 -1.731 4.500 332 HD1 TYR 44 HD1 TYR 44 5.137 0.879 4.563 333 HD2 TYR 44 HD2 TYR 44 1.642 -1.047 6.182 334 HE1 TYR 44 HE1 TYR 44 4.673 2.871 5.948 335 HE2 TYR 44 HE2 TYR 44 1.188 0.947 7.563 336 HH TYR 44 HH TYR 44 2.467 3.890 7.027 337 H CYS 45 HN CYS 45 3.016 1.278 2.162 338 HA CYS 45 HA CYS 45 5.782 1.394 1.084 339 1HB CYS 45 HB2 CYS 45 3.314 3.035 0.542 340 2HB CYS 45 HB1 CYS 45 4.906 3.558 0.018 341 OH TYR 46 OH TYR 46 6.991 0.756 7.747 342 H TYR 46 HN TYR 46 6.582 3.744 1.073 343 HA TYR 46 HA TYR 46 6.126 5.189 3.603 344 1HB TYR 46 HB2 TYR 46 8.725 3.888 2.781 345 2HB TYR 46 HB1 TYR 46 8.671 5.228 3.922 346 HD1 TYR 46 HD1 TYR 46 7.580 1.726 3.334 347 HD2 TYR 46 HD2 TYR 46 7.944 4.907 6.170 348 HE1 TYR 46 HE1 TYR 46 7.102 0.135 5.179 349 HE2 TYR 46 HE2 TYR 46 7.463 3.337 8.018 350 HH TYR 46 HH TYR 46 6.089 0.905 8.042 351 H GLY 47 HN GLY 47 5.541 7.046 2.469 352 1HA GLY 47 HA2 GLY 47 6.685 9.133 1.627 353 2HA GLY 47 HA1 GLY 47 7.532 8.083 0.494 354 H LEU 48 HN LEU 48 4.159 7.575 1.286 355 HA LEU 48 HA LEU 48 3.385 7.685 -1.503 356 1HB LEU 48 HB2 LEU 48 1.781 7.560 1.065 357 2HB LEU 48 HB1 LEU 48 1.051 7.499 -0.539 358 HG LEU 48 HG LEU 48 3.250 5.601 0.286 359 1HD1 LEU 48 HD12 LEU 48 0.926 5.665 1.645 360 2HD1 LEU 48 HD11 LEU 48 0.407 4.711 0.256 361 3HD1 LEU 48 HD13 LEU 48 1.748 4.154 1.257 362 1HD2 LEU 48 HD23 LEU 48 2.442 6.086 -2.165 363 2HD2 LEU 48 HD22 LEU 48 2.658 4.414 -1.647 364 3HD2 LEU 48 HD21 LEU 48 1.042 5.119 -1.702 365 HA PRO 49 HA PRO 49 2.411 11.919 -2.000 366 1HB PRO 49 HB2 PRO 49 -0.058 11.475 -3.396 367 2HB PRO 49 HB1 PRO 49 1.532 11.819 -4.092 368 1HG PRO 49 HG2 PRO 49 0.102 9.325 -4.160 369 2HG PRO 49 HG1 PRO 49 1.713 9.664 -4.807 370 1HD PRO 49 HD2 PRO 49 1.016 8.144 -2.433 371 2HD PRO 49 HD1 PRO 49 2.621 8.390 -3.151 372 H ASP 50 HN ASP 50 1.004 13.543 -1.119 373 HA ASP 50 HA ASP 50 -0.401 12.889 1.227 374 1HB ASP 50 HB2 ASP 50 0.086 15.261 -0.393 375 2HB ASP 50 HB1 ASP 50 -1.469 15.288 0.425 376 H ASN 51 HN ASN 51 -1.623 13.719 -1.965 377 HA ASN 51 HA ASN 51 -4.361 13.425 -1.280 378 1HB ASN 51 HB2 ASN 51 -4.788 13.920 -3.495 379 2HB ASN 51 HB1 ASN 51 -3.201 14.626 -3.301 380 1HD2 ASN 51 HD22 ASN 51 -3.217 12.529 -6.396 381 2HD2 ASN 51 HD21 ASN 51 -4.124 13.856 -5.845 382 H SER 52 HN SER 52 -2.020 11.067 -1.526 383 HA SER 52 HA SER 52 -3.633 9.003 -2.821 384 1HB SER 52 HB2 SER 52 -0.923 9.295 -1.990 385 2HB SER 52 HB1 SER 52 -1.577 7.879 -1.172 386 HG SER 52 HG SER 52 -0.684 7.768 -3.479 387 HA PRO 53 HA PRO 53 -5.904 8.431 1.021 388 1HB PRO 53 HB2 PRO 53 -7.574 6.501 -0.219 389 2HB PRO 53 HB1 PRO 53 -7.936 8.215 0.024 390 1HG PRO 53 HG2 PRO 53 -7.342 6.853 -2.466 391 2HG PRO 53 HG1 PRO 53 -7.793 8.545 -2.227 392 1HD PRO 53 HD2 PRO 53 -5.178 7.466 -2.848 393 2HD PRO 53 HD1 PRO 53 -5.650 9.166 -2.673 394 H THR 54 HN THR 54 -6.040 6.667 2.529 395 HA THR 54 HA THR 54 -4.770 4.107 1.691 396 HB THR 54 HB THR 54 -3.357 4.076 3.634 397 HG1 THR 54 HG1 THR 54 -4.152 6.615 4.450 398 1HG2 THR 54 HG22 THR 54 -2.918 5.690 1.569 399 2HG2 THR 54 HG21 THR 54 -3.067 6.934 2.811 400 3HG2 THR 54 HG23 THR 54 -1.836 5.680 2.962 401 H LYS 55 HN LYS 55 -5.203 2.374 3.384 402 HA LYS 55 HA LYS 55 -7.869 1.884 3.795 403 1HB LYS 55 HB2 LYS 55 -5.424 1.057 5.282 404 2HB LYS 55 HB1 LYS 55 -6.983 0.715 6.033 405 1HG LYS 55 HG2 LYS 55 -6.335 -0.019 3.170 406 2HG LYS 55 HG1 LYS 55 -6.099 -1.123 4.524 407 1HD LYS 55 HD2 LYS 55 -8.514 -0.826 5.122 408 2HD LYS 55 HD1 LYS 55 -8.719 0.136 3.657 409 1HE LYS 55 HE2 LYS 55 -8.021 -1.761 2.277 410 2HE LYS 55 HE1 LYS 55 -7.723 -2.727 3.723 411 1HZ LYS 55 HZ2 LYS 55 -10.283 -1.768 4.000 412 2HZ LYS 55 HZ1 LYS 55 -10.173 -2.233 2.370 413 3HZ LYS 55 HZ3 LYS 55 -9.832 -3.355 3.596 414 H THR 56 HN THR 56 -9.447 2.994 4.828 415 HA THR 56 HA THR 56 -8.690 4.631 7.213 416 HB THR 56 HB THR 56 -10.886 5.069 5.175 417 HG1 THR 56 HG1 THR 56 -9.656 7.049 4.940 418 1HG2 THR 56 HG21 THR 56 -10.236 6.510 7.758 419 2HG2 THR 56 HG23 THR 56 -11.273 7.183 6.501 420 3HG2 THR 56 HG22 THR 56 -11.747 5.705 7.335 421 H SER 57 HN SER 57 -11.983 4.072 6.311 422 HA SER 57 HA SER 57 -12.258 2.166 8.548 423 1HB SER 57 HB2 SER 57 -14.698 3.348 8.495 424 2HB SER 57 HB1 SER 57 -13.383 3.892 9.532 425 HG SER 57 HG SER 57 -13.820 4.811 6.882 426 H GLY 58 HN GLY 58 -11.916 0.817 6.410 427 1HA GLY 58 HA2 GLY 58 -14.576 -0.166 5.653 428 2HA GLY 58 HA1 GLY 58 -13.637 0.505 4.318 429 H LYS 59 HN LYS 59 -14.217 -2.079 4.028 430 HA LYS 59 HA LYS 59 -11.672 -3.470 4.753 431 1HB LYS 59 HB2 LYS 59 -14.520 -4.391 4.921 432 2HB LYS 59 HB1 LYS 59 -13.273 -5.574 4.526 433 1HG LYS 59 HG2 LYS 59 -12.725 -5.694 6.705 434 2HG LYS 59 HG1 LYS 59 -12.269 -3.991 6.663 435 1HD LYS 59 HD2 LYS 59 -14.743 -3.454 6.979 436 2HD LYS 59 HD1 LYS 59 -14.972 -5.166 7.340 437 1HE LYS 59 HE2 LYS 59 -14.646 -4.077 9.451 438 2HE LYS 59 HE1 LYS 59 -13.138 -4.914 9.090 439 1HZ LYS 59 HZ2 LYS 59 -12.400 -2.746 8.058 440 2HZ LYS 59 HZ1 LYS 59 -13.732 -2.029 8.831 441 3HZ LYS 59 HZ3 LYS 59 -12.518 -2.772 9.753 442 H CYS 60 HN CYS 60 -12.279 -1.936 2.348 443 HA CYS 60 HA CYS 60 -12.016 -2.160 0.027 444 1HB CYS 60 HB2 CYS 60 -10.057 -3.494 0.606 445 2HB CYS 60 HB1 CYS 60 -11.066 -4.910 0.896 446 H ASN 61 HN ASN 61 -13.718 -2.349 -1.352 447 HA ASN 61 HA ASN 61 -15.496 -4.733 -1.040 448 1HB ASN 61 HB2 ASN 61 -16.126 -1.972 -0.770 449 2HB ASN 61 HB1 ASN 61 -16.898 -2.550 -2.246 450 1HD2 ASN 61 HD22 ASN 61 -19.496 -3.741 -0.158 451 2HD2 ASN 61 HD21 ASN 61 -19.054 -2.650 -1.381 452 HA PRO 62 HA PRO 62 -14.079 -5.305 -5.259 453 1HB PRO 62 HB2 PRO 62 -15.866 -7.525 -5.524 454 2HB PRO 62 HB1 PRO 62 -14.122 -7.575 -5.238 455 1HG PRO 62 HG2 PRO 62 -16.249 -8.193 -3.373 456 2HG PRO 62 HG1 PRO 62 -14.503 -8.306 -3.113 457 1HD PRO 62 HD2 PRO 62 -16.316 -6.350 -2.036 458 2HD PRO 62 HD1 PRO 62 -14.558 -6.443 -1.808 459 H ALA 63 HN ALA 63 -15.690 -6.176 -7.280 460 HA ALA 63 HA ALA 63 -17.241 -3.977 -8.041 461 1HB ALA 63 HB1 ALA 63 -16.981 -6.777 -8.906 462 2HB ALA 63 HB3 ALA 63 -18.553 -6.066 -9.267 463 3HB ALA 63 HB2 ALA 63 -17.081 -5.307 -9.875 No H/Q in entry = 463
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